PEDF_P1_final_docking_model.txt - Notepad

http://helix.nih.gov/~hooverdm/Becerra/PEDF_P1_final_docking_model.pdb.gz

REMARK PEDF. REMARK REAMRK ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM

PEDF_P1_final_docking_model.txt The coordinates for chain A are taken from PDB:1IMV, renumbered to match The coordinates for chain B are numbered from PEDF-R. David Hoover, National Institutes of Health, 2012 Apr 02 1 N THR A 36 27.461 13.876 1.952 1.00 0.00 2 CA THR A 36 28.269 12.726 1.443 1.00 0.00 3 C THR A 36 29.776 13.022 1.512 1.00 0.00 4 O THR A 36 30.526 12.290 2.161 1.00 0.00 5 CB THR A 36 27.904 12.369 -0.010 1.00 0.00 6 OG1 THR A 36 26.525 11.985 -0.078 1.00 0.00 7 CG2 THR A 36 28.771 11.225 -0.512 1.00 0.00 8 1H THR A 36 26.802 14.328 1.352 1.00 0.00 9 2H THR A 36 26.852 13.751 2.735 1.00 0.00 10 3H THR A 36 27.919 14.702 2.280 1.00 0.00 11 HA THR A 36 28.098 11.850 2.069 1.00 0.00 12 HB THR A 36 28.059 13.245 -0.640 1.00 0.00 13 HG1 THR A 36 26.299 11.763 -0.985 1.00 0.00 14 1HG2 THR A 36 28.498 10.987 -1.540 1.00 0.00 15 2HG2 THR A 36 29.819 11.518 -0.472 1.00 0.00 16 3HG2 THR A 36 28.615 10.349 0.116 1.00 0.00 17 N GLY A 37 30.218 14.085 0.840 1.00 0.00 18 CA GLY A 37 31.628 14.445 0.871 1.00 0.00 19 C GLY A 37 32.381 14.375 -0.445 1.00 0.00 20 O GLY A 37 33.543 14.775 -0.512 1.00 0.00 21 H GLY A 37 29.577 14.651 0.302 1.00 0.00 22 1HA GLY A 37 31.726 15.473 1.222 1.00 0.00 23 2HA GLY A 37 32.151 13.778 1.555 1.00 0.00 24 N ALA A 38 31.728 13.876 -1.491 1.00 0.00 25 CA ALA A 38 32.355 13.749 -2.807 1.00 0.00 26 C ALA A 38 32.166 14.986 -3.679 1.00 0.00 27 O ALA A 38 31.283 15.802 -3.433 1.00 0.00 28 CB ALA A 38 31.799 12.530 -3.547 1.00 0.00 29 H ALA A 38 30.771 13.576 -1.371 1.00 0.00 30 HA ALA A 38 33.430 13.632 -2.672 1.00 0.00 31 1HB ALA A 38 32.276 12.450 -4.524 1.00 0.00 32 2HB ALA A 38 32.003 11.629 -2.969 1.00 0.00 33 3HB ALA A 38 30.724 12.643 -3.677 1.00 0.00 34 N LEU A 39 33.005 15.118 -4.702 1.00 0.00 35 CA LEU A 39 32.929 16.248 -5.623 1.00 0.00 36 C LEU A 39 31.893 16.032 -6.727 1.00 0.00 37 O LEU A 39 32.000 15.112 -7.543 1.00 0.00 38 CB LEU A 39 34.309 16.510 -6.239 1.00 0.00 39 CG LEU A 39 34.372 17.682 -7.226 1.00 0.00 40 CD1 LEU A 39 34.074 18.990 -6.504 1.00 0.00 41 CD2 LEU A 39 35.746 17.727 -7.877 1.00 0.00 42 H LEU A 39 33.715 14.414 -4.844 1.00 0.00 43 HA LEU A 39 32.604 17.137 -5.084 1.00 0.00 44 1HB LEU A 39 34.863 16.754 -5.334 1.00 0.00 45 2HB LEU A 39 34.728 15.610 -6.689 1.00 0.00 46 HG LEU A 39 33.638 17.486 -8.009 1.00 0.00 47 1HD1 LEU A 39 34.120 19.816 -7.214 1.00 0.00 48 2HD1 LEU A 39 33.076 18.944 -6.066 1.00 0.00 49 3HD1 LEU A 39 34.810 19.146 -5.717 1.00 0.00 50 1HD2 LEU A 39 35.789 18.560 -8.579 1.00 0.00 51 2HD2 LEU A 39 36.509 17.859 -7.109 1.00 0.00 52 3HD2 LEU A 39 35.927 16.794 -8.411 1.00 0.00 53 N VAL A 40 30.888 16.900 -6.737 1.00 0.00 54 CA VAL A 40 29.806 16.842 -7.713 1.00 0.00 55 C VAL A 40 29.404 18.256 -8.141 1.00 0.00 56 O VAL A 40 29.894 19.247 -7.590 1.00 0.00 57 CB VAL A 40 28.574 16.105 -7.155 1.00 0.00 58 CG1 VAL A 40 28.921 14.661 -6.826 1.00 0.00 59 CG2 VAL A 40 28.041 16.818 -5.921 1.00 0.00 Page 1

ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM

60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122

H HA HB 1HG1 2HG1 3HG1 1HG2 2HG2 3HG2 N CA C O CB CG CD OE1 OE2 H HA 1HB 2HB 1HG 2HG N CA C O CB CG CD OE1 OE2 H HA 1HB 2HB 1HG 2HG N CA C O CB CG CD OE1 OE2 H HA 1HB 2HB 1HG 2HG N CA C O CB CG OD1 OD2 H

VAL VAL VAL VAL VAL VAL VAL VAL VAL GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU ASP ASP ASP ASP ASP ASP ASP ASP ASP

A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A

40 40 40 40 40 40 40 40 40 41 41 41 41 41 41 41 41 41 41 41 41 41 41 41 42 42 42 42 42 42 42 42 42 42 42 42 42 42 42 43 43 43 43 43 43 43 43 43 43 43 43 43 43 43 44 44 44 44 44 44 44 44 44

PEDF_P1_final_docking_model.txt 30.880 17.627 -6.036 1.00 30.124 16.341 -8.628 1.00 27.780 16.127 -7.901 1.00 28.038 14.155 -6.433 1.00 29.257 14.153 -7.729 1.00 29.714 14.638 -6.079 1.00 27.170 16.285 -5.540 1.00 28.815 16.844 -5.154 1.00 27.755 17.836 -6.184 1.00 28.512 18.346 -9.123 1.00 28.045 19.640 -9.603 1.00 26.909 20.161 -8.738 1.00 26.059 19.396 -8.275 1.00 27.594 19.543 -11.062 1.00 28.719 19.266 -12.050 1.00 29.729 20.379 -12.053 1.00 29.342 21.508 -12.238 1.00 30.872 20.118 -11.759 1.00 28.149 17.504 -9.547 1.00 28.851 20.372 -9.537 1.00 26.859 18.739 -11.115 1.00 27.116 20.490 -11.312 1.00 29.225 18.317 -11.877 1.00 28.211 19.235 -13.014 1.00 26.905 21.474 -8.526 1.00 25.887 22.134 -7.717 1.00 24.481 22.064 -8.301 1.00 24.295 22.082 -9.517 1.00 26.273 23.599 -7.501 1.00 27.484 23.803 -6.601 1.00 27.221 23.304 -5.208 1.00 26.281 23.760 -4.602 1.00 27.888 22.387 -4.791 1.00 27.638 22.029 -8.944 1.00 25.807 21.640 -6.748 1.00 26.476 24.023 -8.484 1.00 25.408 24.096 -7.062 1.00 28.393 23.341 -6.986 1.00 27.609 24.885 -6.582 1.00 23.494 21.995 -7.414 1.00 22.100 21.928 -7.822 1.00 21.318 23.165 -7.406 1.00 20.744 23.828 -8.268 1.00 21.440 20.676 -7.241 1.00 21.998 19.365 -7.777 1.00 21.275 18.184 -7.190 1.00 20.382 18.388 -6.404 1.00 21.540 17.082 -7.612 1.00 23.719 21.989 -6.429 1.00 22.035 21.887 -8.910 1.00 21.580 20.714 -6.160 1.00 20.377 20.739 -7.472 1.00 21.978 19.298 -8.864 1.00 23.031 19.366 -7.432 1.00 21.282 23.486 -6.107 1.00 20.545 24.684 -5.689 1.00 21.231 25.773 -6.507 1.00 22.445 25.973 -6.415 1.00 20.627 24.949 -4.184 1.00 19.818 23.981 -3.330 1.00 19.084 23.199 -3.887 1.00 20.056 23.922 -2.147 1.00 21.748 22.926 -5.407 1.00 Page 2

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185

HA 1HB 2HB N CA C O CB CG CD HA 1HB 2HB 1HG 2HG 1HD 2HD N CA C O CB CG CD1 CD2 CE1 CE2 CZ H HA 1HB 2HB HD1 HD2 HE1 HE2 HZ N CA C O CB CG CD1 CD2 CE1 CE2 CZ H HA 1HB 2HB HD1 HD2 HE1 HE2 HZ N CA C O CB CG

ASP ASP ASP PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE LYS LYS LYS LYS LYS LYS


44 44 44 45 45 45 45 45 45 45 45 45 45 45 45 45 45 46 46 46 46 46 46 46 46 46 46 46 46 46 46 46 46 46 46 46 46 47 47 47 47 47 47 47 47 47 47 47 47 47 47 47 47 47 47 47 47 48 48 48 48 48 48

PEDF_P1_final_docking_model.txt 19.490 24.575 -5.941 1.00 21.648 24.999 -3.806 1.00 20.172 25.939 -4.138 1.00 20.464 26.454 -7.364 1.00 20.974 27.524 -8.225 1.00 21.721 28.611 -7.461 1.00 22.530 29.342 -8.034 1.00 19.714 28.075 -8.901 1.00 18.759 26.931 -8.894 1.00 18.994 26.222 -7.587 1.00 21.714 27.166 -8.956 1.00 19.307 28.937 -8.353 1.00 19.923 28.414 -9.927 1.00 17.719 27.281 -8.973 1.00 18.937 26.258 -9.746 1.00 18.380 26.637 -6.773 1.00 18.763 25.149 -7.648 1.00 21.445 28.711 -6.166 1.00 22.072 29.723 -5.329 1.00 23.569 29.460 -5.145 1.00 24.395 30.380 -5.213 1.00 21.377 29.784 -3.968 1.00 21.960 30.807 -3.035 1.00 21.660 32.153 -3.184 1.00 22.810 30.427 -2.008 1.00 22.197 33.096 -2.326 1.00 23.347 31.366 -1.149 1.00 23.039 32.702 -1.309 1.00 20.784 28.070 -5.751 1.00 21.993 30.700 -5.808 1.00 20.326 30.041 -4.094 1.00 21.456 28.822 -3.463 1.00 20.993 32.465 -3.988 1.00 23.053 29.371 -1.882 1.00 21.953 34.150 -2.455 1.00 24.013 31.053 -0.345 1.00 23.463 33.444 -0.633 1.00 23.916 28.200 -4.919 1.00 25.304 27.839 -4.710 1.00 26.034 27.536 -6.002 1.00 27.246 27.334 -5.992 1.00 25.395 26.634 -3.772 1.00 24.762 26.864 -2.428 1.00 23.491 26.383 -2.153 1.00 25.437 27.560 -1.437 1.00 22.908 26.594 -0.918 1.00 24.858 27.771 -0.201 1.00 23.591 27.287 0.058 1.00 23.210 27.478 -4.891 1.00 25.841 28.676 -4.262 1.00 24.888 25.776 -4.212 1.00 26.438 26.383 -3.585 1.00 22.951 25.834 -2.925 1.00 26.438 27.943 -1.643 1.00 21.908 26.211 -0.715 1.00 25.399 28.320 0.569 1.00 23.132 27.455 1.032 1.00 25.315 27.508 -7.119 1.00 25.978 27.232 -8.389 1.00 26.828 28.448 -8.797 1.00 27.791 28.329 -9.560 1.00 24.954 26.897 -9.475 1.00 24.252 25.559 -9.286 1.00 Page 3

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248

CD CE NZ H HA 1HB 2HB 1HG 2HG 1HD 2HD 1HE 2HE 1HZ 2HZ 3HZ N CA C O CB CG1 CG2 H HA HB 1HG1 2HG1 3HG1 1HG2 2HG2 3HG2 N CA C O CB CG CD HA 1HB 2HB 1HG 2HG 1HD 2HD N CA C O CB CG1 CG2 H HA HB 1HG1 2HG1 3HG1 1HG2 2HG2 3HG2 N

LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL ASN


48 48 48 48 48 48 48 48 48 48 48 48 48 48 48 48 49 49 49 49 49 49 49 49 49 49 49 49 49 49 49 49 50 50 50 50 50 50 50 50 50 50 50 50 50 50 51 51 51 51 51 51 51 51 51 51 51 51 51 51 51 51 52


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311

CA C O CB CG OD1 ND2 H HA 1HB 2HB 1HD2 2HD2 N CA C O CB CG CD CE NZ H HA 1HB 2HB 1HG 2HG 1HD 2HD 1HE 2HE 1HZ 2HZ 3HZ N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB H HA 1HB 2HB

ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU ALA ALA ALA ALA ALA ALA ALA ALA ALA


52 52 52 52 52 52 52 52 52 52 52 52 52 53 53 53 53 53 53 53 53 53 53 53 53 53 53 53 53 53 53 53 53 53 53 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 54 55 55 55 55 55 55 55 55 55

PEDF_P1_final_docking_model.txt 28.083 32.334 -3.390 1.00 28.616 31.022 -2.841 1.00 28.512 30.747 -1.652 1.00 26.657 32.162 -3.881 1.00 25.987 33.453 -4.259 1.00 26.513 34.545 -4.012 1.00 24.793 33.338 -4.783 1.00 28.648 32.810 -5.401 1.00 28.057 33.043 -2.561 1.00 26.411 31.400 -4.622 1.00 26.291 31.849 -2.904 1.00 24.288 34.156 -5.059 1.00 24.387 32.433 -4.907 1.00 29.176 30.216 -3.737 1.00 29.755 28.921 -3.399 1.00 30.924 29.123 -2.444 1.00 31.089 28.387 -1.469 1.00 30.211 28.179 -4.656 1.00 30.584 26.721 -4.425 1.00 30.675 25.958 -5.739 1.00 31.081 24.509 -5.511 1.00 31.194 23.756 -6.790 1.00 29.195 30.528 -4.697 1.00 29.013 28.307 -2.888 1.00 29.392 28.234 -5.374 1.00 31.074 28.716 -5.049 1.00 31.549 26.686 -3.917 1.00 29.824 26.265 -3.792 1.00 29.700 25.990 -6.227 1.00 31.414 26.446 -6.374 1.00 32.041 24.500 -4.998 1.00 30.328 24.039 -4.879 1.00 31.464 22.802 -6.595 1.00 30.303 23.763 -7.266 1.00 31.892 24.191 -7.376 1.00 31.746 30.124 -2.745 1.00 32.896 30.432 -1.914 1.00 32.419 30.967 -0.565 1.00 32.999 30.654 0.473 1.00 33.811 31.445 -2.614 1.00 35.088 31.811 -1.846 1.00 35.939 30.568 -1.627 1.00 35.863 32.866 -2.621 1.00 31.569 30.683 -3.567 1.00 33.463 29.522 -1.724 1.00 34.062 30.871 -3.504 1.00 33.269 32.346 -2.902 1.00 34.780 32.252 -0.898 1.00 36.844 30.837 -1.081 1.00 35.373 29.836 -1.051 1.00 36.212 30.139 -2.591 1.00 36.770 33.125 -2.074 1.00 36.130 32.474 -3.603 1.00 35.245 33.756 -2.742 1.00 31.355 31.762 -0.582 1.00 30.818 32.314 0.656 1.00 30.268 31.204 1.562 1.00 30.350 31.297 2.787 1.00 29.692 33.305 0.358 1.00 30.907 31.991 -1.458 1.00 31.625 32.806 1.199 1.00 29.304 33.706 1.295 1.00 30.077 34.121 -0.254 1.00 Page 5

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374

3HB N CA C O CB H HA 1HB 2HB 3HB N CA C O CB H HA 1HB 2HB 3HB N CA C O CB CG1 CG2 H HA HB 1HG1 2HG1 3HG1 1HG2 2HG2 3HG2 N CA C O CB OG H HA 1HB 2HB HG N CA C O CB CG OD1 ND2 H HA 1HB 2HB 1HD2 2HD2 N

ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL SER SER SER SER SER SER SER SER SER SER SER ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN PHE


55 56 56 56 56 56 56 56 56 56 56 57 57 57 57 57 57 57 57 57 57 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 58 59 59 59 59 59 59 59 59 59 59 59 60 60 60 60 60 60 60 60 60 60 60 60 60 60 61

PEDF_P1_final_docking_model.txt 28.892 32.796 -0.177 1.00 29.716 30.155 0.964 1.00 29.180 29.049 1.753 1.00 30.294 28.306 2.485 1.00 30.113 27.877 3.616 1.00 28.448 28.059 0.847 1.00 29.662 30.112 -0.044 1.00 28.506 29.453 2.509 1.00 28.054 27.240 1.449 1.00 27.626 28.566 0.342 1.00 29.141 27.663 0.106 1.00 31.447 28.164 1.837 1.00 32.591 27.470 2.424 1.00 33.117 28.263 3.600 1.00 33.152 27.785 4.730 1.00 33.676 27.313 1.361 1.00 31.530 28.551 0.908 1.00 32.261 26.496 2.785 1.00 34.533 26.796 1.791 1.00 33.285 26.733 0.524 1.00 33.985 28.296 1.009 1.00 33.531 29.487 3.315 1.00 34.055 30.380 4.330 1.00 33.054 30.506 5.484 1.00 33.433 30.511 6.657 1.00 34.309 31.736 3.668 1.00 34.496 32.867 4.677 1.00 35.473 31.624 2.684 1.00 33.479 29.806 2.358 1.00 34.967 29.981 4.777 1.00 33.427 32.020 3.093 1.00 34.672 33.803 4.146 1.00 33.599 32.961 5.289 1.00 35.351 32.647 5.316 1.00 35.649 32.592 2.215 1.00 36.370 31.310 3.218 1.00 35.231 30.889 1.916 1.00 31.772 30.592 5.150 1.00 30.758 30.714 6.178 1.00 30.668 29.448 7.016 1.00 30.475 29.537 8.231 1.00 29.415 31.030 5.548 1.00 29.405 32.290 4.935 1.00 31.490 30.573 4.180 1.00 30.902 31.578 6.828 1.00 29.195 30.270 4.799 1.00 28.651 31.006 6.324 1.00 30.073 32.316 4.246 1.00 30.810 28.280 6.379 1.00 30.765 27.006 7.101 1.00 31.960 26.912 8.048 1.00 31.920 26.206 9.056 1.00 30.738 25.819 6.156 1.00 29.424 25.639 5.448 1.00 28.384 26.142 5.888 1.00 29.450 24.858 4.398 1.00 30.951 28.274 5.379 1.00 29.860 26.957 7.709 1.00 31.551 25.648 5.450 1.00 30.802 25.092 6.966 1.00 28.613 24.693 3.877 1.00 30.307 24.427 4.117 1.00 33.034 27.614 7.707 1.00 Page 6

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437

CA C O CB CG CD1 CD2 CE1 CE2 CZ H HA 1HB 2HB HD1 HD2 HE1 HE2 HZ N CA C O H 1HA 2HA N CA C O CB CG CD1 CD2 CE1 CE2 CZ OH H HA 1HB 2HB HD1 HD2 HE1 HE2 HH N CA C O CB CG OD1 OD2 H HA 1HB 2HB N CA C O

PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE GLY GLY GLY GLY GLY GLY GLY TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP LEU LEU LEU LEU


61 61 61 61 61 61 61 61 61 61 61 61 61 61 61 61 61 61 61 62 62 62 62 62 62 62 63 63 63 63 63 63 63 63 63 63 63 63 63 63 63 63 63 63 63 63 63 64 64 64 64 64 64 64 64 64 64 64 64 65 65 65 65

PEDF_P1_final_docking_model.txt 34.204 27.652 8.560 1.00 33.793 28.495 9.756 1.00 34.148 28.196 10.885 1.00 35.385 28.266 7.801 1.00 36.445 28.749 8.762 1.00 37.360 27.854 9.303 1.00 36.502 30.094 9.109 1.00 38.317 28.304 10.204 1.00 37.455 30.543 10.015 1.00 38.356 29.644 10.570 1.00 33.040 28.132 6.840 1.00 34.462 26.641 8.879 1.00 35.835 27.524 7.143 1.00 35.048 29.117 7.210 1.00 37.315 26.805 9.011 1.00 35.792 30.797 8.671 1.00 39.039 27.605 10.625 1.00 37.497 31.596 10.291 1.00 39.092 29.991 11.294 1.00 33.049 29.565 9.489 1.00 32.581 30.437 10.551 1.00 31.756 29.670 11.569 1.00 31.954 29.809 12.778 1.00 32.803 29.778 8.533 1.00 33.441 30.880 11.053 1.00 31.967 31.226 10.119 1.00 30.831 28.848 11.081 1.00 29.974 28.058 11.957 1.00 30.784 27.089 12.803 1.00 30.492 26.915 13.990 1.00 28.934 27.291 11.137 1.00 27.817 28.158 10.599 1.00 27.538 28.200 9.241 1.00 27.043 28.931 11.452 1.00 26.520 28.990 8.744 1.00 26.021 29.724 10.967 1.00 25.763 29.751 9.612 1.00 24.746 30.539 9.124 1.00 30.719 28.768 10.080 1.00 29.453 28.714 12.655 1.00 29.461 26.820 10.306 1.00 28.516 26.521 11.786 1.00 28.140 27.596 8.562 1.00 27.253 28.905 12.522 1.00 26.312 29.013 7.675 1.00 25.425 30.325 11.654 1.00 24.835 30.729 8.187 1.00 31.800 26.462 12.210 1.00 32.626 25.539 12.974 1.00 33.280 26.295 14.117 1.00 33.279 25.829 15.256 1.00 33.685 24.880 12.087 1.00 33.168 23.722 11.244 1.00 32.474 22.889 11.777 1.00 33.338 23.762 10.049 1.00 32.009 26.617 11.234 1.00 32.003 24.754 13.403 1.00 34.216 25.585 11.448 1.00 34.364 24.498 12.851 1.00 33.831 27.467 13.807 1.00 34.494 28.276 14.812 1.00 33.514 28.636 15.915 1.00 33.827 28.505 17.096 1.00 Page 7

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500

CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB CG CD1 CD2 CE1 CE2 CZ OH H HA 1HB 2HB HD1 HD2 HE1 HE2 HH N CA C O CB CG CD NE CZ NH1 NH2 H HA 1HB 2HB 1HG 2HG 1HD 2HD HE 1HH1 2HH1 1HH2 2HH2 N CA C

LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG VAL VAL VAL


65 65 65 65 65 65 65 65 65 65 65 65 65 65 65 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 67 67 67 67 67 67 67 67 67 67 67 67 67 67 67 67 67 67 67 67 67 67 67 67 68 68 68


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563

O CB CG1 CG2 H HA HB 1HG1 2HG1 3HG1 1HG2 2HG2 3HG2 N CA C O CB CG CD NE CZ NH1 NH2 H HA 1HB 2HB 1HG 2HG 1HD 2HD HE 1HH1 2HH1 1HH2 2HH2 N CA C O CB OG H HA 1HB 2HB HG N CA C O CB OG H HA 1HB 2HB HG N CA C O

VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG SER SER SER SER SER SER SER SER SER SER SER SER SER SER SER SER SER SER SER SER SER SER MET MET MET MET


68 68 68 68 68 68 68 68 68 68 68 68 68 69 69 69 69 69 69 69 69 69 69 69 69 69 69 69 69 69 69 69 69 69 69 69 69 70 70 70 70 70 70 70 70 70 70 70 71 71 71 71 71 71 71 71 71 71 71 72 72 72 72


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626

CB CG SD CE H HA 1HB 2HB 1HG 2HG 1HE 2HE 3HE N CA C O CB OG H HA 1HB 2HB HG N CA C O CB CG CD HA 1HB 2HB 1HG 2HG 1HD 2HD N CA C O CB OG1 CG2 H HA HB HG1 1HG2 2HG2 3HG2 N CA C O CB OG1 CG2 H HA HB HG1

MET MET MET MET MET MET MET MET MET MET MET MET MET SER SER SER SER SER SER SER SER SER SER SER PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO THR THR THR THR THR THR THR THR THR THR THR THR THR THR THR THR THR THR THR THR THR THR THR THR THR


72 72 72 72 72 72 72 72 72 72 72 72 72 73 73 73 73 73 73 73 73 73 73 73 74 74 74 74 74 74 74 74 74 74 74 74 74 74 75 75 75 75 75 75 75 75 75 75 75 75 75 75 76 76 76 76 76 76 76 76 76 76 76


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689

1HG2 2HG2 3HG2 N CA C O CB CG OD1 ND2 H HA 1HB 2HB 1HD2 2HD2 N CA C O CB CG1 CG2 H HA HB 1HG1 2HG1 3HG1 1HG2 2HG2 3HG2 N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB CG CD1 CD2 H HA 1HB

THR THR THR ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU


76 76 76 77 77 77 77 77 77 77 77 77 77 77 77 77 77 78 78 78 78 78 78 78 78 78 78 78 78 78 78 78 78 79 79 79 79 79 79 79 79 79 79 79 79 79 79 79 79 79 79 79 80 80 80 80 80 80 80 80 80 80 80


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752

2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB OG H HA 1HB 2HB HG N CA C O CB CG CD HA 1HB 2HB 1HG 2HG 1HD 2HD N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB OG H HA 1HB 2HB HG

LEU LEU LEU LEU LEU LEU LEU LEU SER SER SER SER SER SER SER SER SER SER SER PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU SER SER SER SER SER SER SER SER SER SER SER


80 80 80 80 80 80 80 80 81 81 81 81 81 81 81 81 81 81 81 82 82 82 82 82 82 82 82 82 82 82 82 82 82 83 83 83 83 83 83 83 83 83 83 83 83 83 83 83 83 83 83 83 84 84 84 84 84 84 84 84 84 84 84


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815

N CA C O CB CG1 CG2 H HA HB 1HG1 2HG1 3HG1 1HG2 2HG2 3HG2 N CA C O CB H HA 1HB 2HB 3HB N CA C O CB OG1 CG2 H HA HB HG1 1HG2 2HG2 3HG2 N CA C O CB H HA 1HB 2HB 3HB N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG

VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA THR THR THR THR THR THR THR THR THR THR THR THR THR THR ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU


85 85 85 85 85 85 85 85 85 85 85 85 85 85 85 85 86 86 86 86 86 86 86 86 86 86 87 87 87 87 87 87 87 87 87 87 87 87 87 87 88 88 88 88 88 88 88 88 88 88 89 89 89 89 89 89 89 89 89 89 89 89 89


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878

1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB OG H HA 1HB 2HB HG N CA C O CB H HA 1HB 2HB 3HB N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB OG H HA 1HB 2HB HG N CA C O CB CG

LEU LEU LEU LEU LEU LEU SER SER SER SER SER SER SER SER SER SER SER ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU SER SER SER SER SER SER SER SER SER SER SER LEU LEU LEU LEU LEU LEU


89 89 89 89 89 89 90 90 90 90 90 90 90 90 90 90 90 91 91 91 91 91 91 91 91 91 91 92 92 92 92 92 92 92 92 92 92 92 92 92 92 92 92 92 92 92 93 93 93 93 93 93 93 93 93 93 93 94 94 94 94 94 94

PEDF_P1_final_docking_model.txt 41.677 30.319 10.587 1.00 40.788 30.817 9.128 1.00 41.762 29.327 9.113 1.00 44.166 30.495 10.647 1.00 44.301 29.511 9.169 1.00 45.047 31.126 9.235 1.00 43.075 32.402 4.627 1.00 43.137 32.211 3.183 1.00 44.247 33.046 2.546 1.00 44.881 32.627 1.584 1.00 41.723 32.569 2.691 1.00 41.444 32.117 1.359 1.00 42.260 32.841 5.031 1.00 43.255 31.167 2.889 1.00 40.995 32.115 3.363 1.00 41.609 33.652 2.713 1.00 42.213 31.661 1.009 1.00 44.476 34.235 3.087 1.00 45.519 35.112 2.577 1.00 46.862 34.427 2.834 1.00 47.673 34.253 1.922 1.00 45.465 36.428 3.347 1.00 43.916 34.540 3.870 1.00 45.374 35.240 1.504 1.00 46.241 37.097 2.976 1.00 44.489 36.892 3.207 1.00 45.628 36.236 4.406 1.00 47.080 34.022 4.081 1.00 48.313 33.351 4.470 1.00 48.600 32.125 3.596 1.00 49.740 31.893 3.193 1.00 48.192 32.950 5.942 1.00 49.479 32.430 6.580 1.00 50.560 33.508 6.618 1.00 49.221 31.842 7.968 1.00 46.368 34.186 4.778 1.00 49.157 34.025 4.325 1.00 47.927 33.917 6.368 1.00 47.375 32.246 6.103 1.00 49.845 31.616 5.954 1.00 51.462 33.104 7.078 1.00 50.786 33.832 5.602 1.00 50.206 34.358 7.201 1.00 50.160 31.482 8.390 1.00 48.802 32.611 8.617 1.00 48.518 31.013 7.887 1.00 47.562 31.348 3.299 1.00 47.716 30.146 2.487 1.00 48.357 30.406 1.121 1.00 48.612 29.468 0.362 1.00 46.363 29.487 2.305 1.00 45.575 30.155 1.357 1.00 46.645 31.595 3.643 1.00 48.284 29.358 2.983 1.00 46.517 28.460 1.976 1.00 45.842 29.487 3.261 1.00 45.685 31.103 1.462 1.00 48.612 31.671 0.802 1.00 49.245 32.004 -0.465 1.00 50.732 31.683 -0.390 1.00 51.312 31.142 -1.329 1.00 49.023 33.482 -0.809 1.00 47.610 33.834 -1.294 1.00 Page 14

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941

CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O H 1HA 2HA N CA C O CB H HA 1HB 2HB 3HB N CA C O CB CG OD1 OD2 H HA 1HB 2HB N CA C O CB CG CD OE1 OE2 H HA 1HB 2HB 1HG 2HG N CA C O CB CG

LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU GLY GLY GLY GLY GLY GLY GLY ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU ARG ARG ARG ARG ARG ARG


94 94 94 94 94 94 94 94 94 94 94 94 94 95 95 95 95 95 95 95 96 96 96 96 96 96 96 96 96 96 97 97 97 97 97 97 97 97 97 97 97 97 98 98 98 98 98 98 98 98 98 98 98 98 98 98 98 99 99 99 99 99 99

PEDF_P1_final_docking_model.txt 47.474 35.343 -1.453 1.00 47.333 33.125 -2.611 1.00 48.367 32.415 1.440 1.00 48.817 31.393 -1.259 1.00 49.202 33.921 0.171 1.00 49.769 33.849 -1.513 1.00 46.909 33.449 -0.553 1.00 46.468 35.583 -1.798 1.00 47.654 35.828 -0.494 1.00 48.201 35.698 -2.183 1.00 46.329 33.376 -2.954 1.00 48.062 33.444 -3.357 1.00 47.408 32.047 -2.467 1.00 51.350 32.014 0.735 1.00 52.767 31.746 0.886 1.00 52.998 30.430 1.590 1.00 53.922 30.311 2.391 1.00 50.849 32.452 1.494 1.00 53.230 31.709 -0.100 1.00 53.221 32.547 1.469 1.00 52.156 29.443 1.295 1.00 52.272 28.127 1.916 1.00 52.518 27.062 0.864 1.00 52.180 27.244 -0.307 1.00 50.986 27.768 2.661 1.00 51.418 29.608 0.625 1.00 53.128 28.133 2.591 1.00 51.093 26.784 3.117 1.00 50.796 28.508 3.438 1.00 50.152 27.754 1.961 1.00 53.101 25.943 1.280 1.00 53.373 24.874 0.339 1.00 52.367 23.730 0.463 1.00 51.745 23.539 1.513 1.00 54.796 24.347 0.540 1.00 55.314 23.484 -0.602 1.00 54.644 23.393 -1.604 1.00 56.440 23.052 -0.530 1.00 53.360 25.823 2.249 1.00 53.277 25.247 -0.681 1.00 55.522 25.129 0.762 1.00 54.647 23.726 1.425 1.00 52.221 22.985 -0.630 1.00 51.319 21.843 -0.723 1.00 50.702 21.355 0.580 1.00 49.563 21.687 0.887 1.00 52.059 20.677 -1.382 1.00 51.208 19.435 -1.600 1.00 52.050 18.264 -2.027 1.00 53.240 18.425 -2.148 1.00 51.521 17.182 -2.123 1.00 52.776 23.240 -1.434 1.00 50.449 22.107 -1.326 1.00 52.428 21.037 -2.343 1.00 52.903 20.430 -0.738 1.00 50.616 19.156 -0.729 1.00 50.543 19.719 -2.415 1.00 51.456 20.560 1.335 1.00 50.976 19.990 2.589 1.00 50.323 20.992 3.537 1.00 49.246 20.719 4.067 1.00 52.083 19.225 3.300 1.00 52.483 17.916 2.638 1.00 Page 15

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004

CD NE CZ NH1 NH2 H HA 1HB 2HB 1HG 2HG 1HD 2HD HE 1HH1 2HH1 1HH2 2HH2 N CA C O CB OG1 CG2 H HA HB HG1 1HG2 2HG2 3HG2 N CA C O CB CG CD OE1 OE2 H HA 1HB 2HB 1HG 2HG N CA C O CB OG H HA 1HB 2HB HG N CA C O CB

ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG THR THR THR THR THR THR THR THR THR THR THR THR THR THR GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU SER SER SER SER SER SER SER SER SER SER SER ILE ILE ILE ILE ILE


99 99 99 99 99 99 99 99 99 99 99 99 99 99 99 99 99 99 100 100 100 100 100 100 100 100 100 100 100 100 100 100 101 101 101 101 101 101 101 101 101 101 101 101 101 101 101 102 102 102 102 102 102 102 102 102 102 102 103 103 103 103 103

PEDF_P1_final_docking_model.txt 53.596 17.203 3.315 1.00 54.008 15.971 2.662 1.00 55.068 15.226 3.032 1.00 55.847 15.601 4.023 1.00 55.320 14.119 2.356 1.00 52.393 20.347 1.024 1.00 50.191 19.261 2.386 1.00 52.948 19.885 3.343 1.00 51.730 19.023 4.311 1.00 51.617 17.254 2.628 1.00 52.791 18.126 1.614 1.00 54.465 17.859 3.353 1.00 53.289 16.948 4.329 1.00 53.599 15.493 1.870 1.00 55.651 16.460 4.518 1.00 56.636 15.029 4.285 1.00 54.722 13.854 1.585 1.00 56.108 13.543 2.612 1.00 50.961 22.141 3.752 1.00 50.419 23.159 4.655 1.00 49.189 23.837 4.056 1.00 48.175 24.042 4.730 1.00 51.469 24.234 4.990 1.00 52.583 23.626 5.657 1.00 50.869 25.305 5.888 1.00 51.838 22.316 3.283 1.00 50.090 22.691 5.583 1.00 51.817 24.690 4.064 1.00 52.778 22.780 5.247 1.00 51.626 26.056 6.113 1.00 50.029 25.777 5.378 1.00 50.522 24.849 6.814 1.00 49.292 24.180 2.778 1.00 48.197 24.817 2.055 1.00 46.912 23.997 2.177 1.00 45.854 24.542 2.484 1.00 48.566 25.007 0.582 1.00 47.498 25.703 -0.249 1.00 47.963 25.924 -1.662 1.00 48.336 24.970 -2.301 1.00 47.840 27.027 -2.140 1.00 50.158 23.992 2.293 1.00 47.986 25.795 2.490 1.00 49.484 25.594 0.557 1.00 48.757 24.015 0.171 1.00 46.545 25.174 -0.260 1.00 47.373 26.664 0.247 1.00 47.020 22.690 1.931 1.00 45.886 21.773 2.011 1.00 45.248 21.821 3.384 1.00 44.026 21.949 3.497 1.00 46.326 20.359 1.685 1.00 45.266 19.446 1.767 1.00 47.929 22.328 1.679 1.00 45.134 21.946 1.240 1.00 46.729 20.345 0.672 1.00 47.104 20.064 2.388 1.00 45.487 18.655 1.269 1.00 46.073 21.708 4.425 1.00 45.576 21.768 5.794 1.00 44.639 22.972 5.901 1.00 43.522 22.859 6.406 1.00 46.713 21.890 6.825 1.00 Page 16

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067

CG1 CG2 CD1 H HA HB 1HG1 2HG1 1HG2 2HG2 3HG2 1HD1 2HD1 3HD1 N CA C O CB CG1 CG2 CD1 H HA HB 1HG1 2HG1 1HG2 2HG2 3HG2 1HD1 2HD1 3HD1 N CA C O CB CG ND1 CD2 CE1 NE2 H HA 1HB 2HB HD2 HE1 HE2 N CA C O CB CG CD NE CZ NH1 NH2 H HA

ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG


103 103 103 103 103 103 103 103 103 103 103 103 103 103 104 104 104 104 104 104 104 104 104 104 104 104 104 104 104 104 104 104 104 105 105 105 105 105 105 105 105 105 105 105 105 105 105 105 105 105 106 106 106 106 106 106 106 106 106 106 106 106 106

PEDF_P1_final_docking_model.txt 47.479 20.570 6.934 1.00 46.159 22.301 8.181 1.00 46.643 19.419 7.446 1.00 47.062 21.578 4.266 1.00 44.981 20.885 6.026 1.00 47.425 22.639 6.481 1.00 47.857 20.331 5.941 1.00 48.318 20.737 7.610 1.00 46.975 22.383 8.898 1.00 45.657 23.264 8.092 1.00 45.447 21.552 8.526 1.00 47.255 18.518 7.496 1.00 46.265 19.656 8.441 1.00 45.805 19.249 6.771 1.00 45.092 24.119 5.406 1.00 44.281 25.329 5.457 1.00 43.056 25.221 4.555 1.00 41.927 25.433 5.003 1.00 45.097 26.570 5.050 1.00 46.184 26.858 6.089 1.00 44.184 27.774 4.881 1.00 47.198 27.886 5.643 1.00 46.010 24.159 4.987 1.00 43.871 25.475 6.456 1.00 45.608 26.366 4.110 1.00 45.684 27.209 6.992 1.00 46.690 25.916 6.298 1.00 44.777 28.643 4.594 1.00 43.447 27.567 4.106 1.00 43.674 27.979 5.822 1.00 47.936 28.037 6.431 1.00 47.699 27.536 4.740 1.00 46.694 28.829 5.434 1.00 43.270 24.887 3.289 1.00 42.154 24.780 2.358 1.00 41.039 23.865 2.827 1.00 39.870 24.105 2.526 1.00 42.657 24.299 0.993 1.00 43.330 25.368 0.189 1.00 43.760 25.166 -1.105 1.00 43.647 26.648 0.496 1.00 44.313 26.277 -1.561 1.00 44.257 27.190 -0.609 1.00 44.206 24.704 2.958 1.00 41.681 25.754 2.240 1.00 43.388 23.500 1.122 1.00 41.824 23.935 0.393 1.00 43.507 27.251 1.393 1.00 44.716 26.322 -2.572 1.00 44.604 28.137 -0.673 1.00 41.394 22.820 3.565 1.00 40.397 21.876 4.031 1.00 39.534 22.421 5.163 1.00 38.377 22.029 5.306 1.00 41.030 20.547 4.417 1.00 41.605 19.751 3.256 1.00 42.286 18.493 3.654 1.00 41.409 17.493 4.243 1.00 41.832 16.363 4.842 1.00 43.111 16.064 4.900 1.00 40.923 15.548 5.348 1.00 42.363 22.673 3.809 1.00 39.699 21.648 3.225 1.00 Page 17

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130

1HB 2HB 1HG 2HG 1HD 2HD HE 1HH1 2HH1 1HH2 2HH2 N CA C O CB H HA 1HB 2HB 3HB N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB CG CD1 CD2 CE1 CE2 CZ OH H HA 1HB 2HB HD1 HD2 HE1 HE2 HH N CA

ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR


106 106 106 106 106 106 106 106 106 106 106 107 107 107 107 107 107 107 107 107 107 108 108 108 108 108 108 108 108 108 108 108 108 108 108 108 108 108 108 108 109 109 109 109 109 109 109 109 109 109 109 109 109 109 109 109 109 109 109 109 109 110 110

PEDF_P1_final_docking_model.txt 41.823 20.768 5.129 1.00 40.255 19.957 4.907 1.00 40.792 19.493 2.576 1.00 42.330 20.376 2.734 1.00 42.745 18.045 2.773 1.00 43.057 18.724 4.388 1.00 40.400 17.475 4.301 1.00 43.791 16.689 4.492 1.00 43.407 15.212 5.353 1.00 39.942 15.783 5.279 1.00 41.212 14.693 5.801 1.00 40.091 23.326 5.961 1.00 39.349 23.918 7.069 1.00 38.432 25.023 6.545 1.00 37.505 25.459 7.223 1.00 40.307 24.503 8.109 1.00 41.046 23.612 5.800 1.00 38.727 23.147 7.525 1.00 39.733 24.939 8.926 1.00 40.949 23.713 8.498 1.00 40.920 25.274 7.645 1.00 38.699 25.465 5.325 1.00 37.911 26.513 4.703 1.00 36.908 25.948 3.711 1.00 36.189 26.707 3.063 1.00 38.834 27.523 4.009 1.00 39.812 28.257 4.936 1.00 40.737 29.148 4.118 1.00 39.032 29.078 5.951 1.00 39.472 25.062 4.815 1.00 37.327 27.030 5.463 1.00 39.378 26.844 3.354 1.00 38.272 28.236 3.407 1.00 40.373 27.498 5.481 1.00 41.428 29.665 4.784 1.00 41.302 28.537 3.414 1.00 40.145 29.880 3.570 1.00 39.728 29.598 6.610 1.00 38.410 29.806 5.431 1.00 38.398 28.418 6.544 1.00 36.865 24.618 3.607 1.00 35.949 23.905 2.703 1.00 36.218 24.136 1.223 1.00 35.354 23.923 0.376 1.00 34.522 24.011 3.257 1.00 34.626 23.556 4.704 1.00 35.123 22.287 4.986 1.00 34.282 24.399 5.759 1.00 35.341 21.889 6.302 1.00 34.493 23.996 7.078 1.00 35.046 22.747 7.356 1.00 35.308 22.348 8.662 1.00 37.500 24.085 4.185 1.00 36.059 22.829 2.838 1.00 34.209 25.050 3.146 1.00 33.889 23.373 2.641 1.00 35.337 21.610 4.159 1.00 33.847 25.373 5.534 1.00 35.730 20.895 6.519 1.00 34.224 24.659 7.900 1.00 35.070 23.013 9.313 1.00 37.430 24.571 0.923 1.00 37.824 24.826 -0.445 1.00 Page 18

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 1156 1157 1158 1159 1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 1191 1192 1193

C O CB CG CD1 CD2 CE1 CE2 CZ OH H HA 1HB 2HB HD1 HD2 HE1 HE2 HH N CA C O CB CG OD1 OD2 H HA 1HB 2HB N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB CG1 CG2 CD1 H HA HB 1HG1 2HG1

TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE


110 110 110 110 110 110 110 110 110 110 110 110 110 110 110 110 110 110 110 111 111 111 111 111 111 111 111 111 111 111 111 112 112 112 112 112 112 112 112 112 112 112 112 112 112 112 112 112 112 112 113 113 113 113 113 113 113 113 113 113 113 113 113

PEDF_P1_final_docking_model.txt 37.948 23.525 -1.234 1.00 37.736 23.506 -2.448 1.00 39.146 25.597 -0.481 1.00 39.041 27.017 0.030 1.00 37.806 27.628 0.189 1.00 40.179 27.741 0.354 1.00 37.705 28.925 0.654 1.00 40.090 29.038 0.821 1.00 38.851 29.627 0.970 1.00 38.757 30.918 1.436 1.00 38.097 24.729 1.665 1.00 37.059 25.420 -0.946 1.00 39.859 25.042 0.130 1.00 39.484 25.607 -1.516 1.00 36.906 27.067 -0.063 1.00 41.154 27.271 0.233 1.00 36.728 29.393 0.774 1.00 40.996 29.591 1.069 1.00 39.574 31.413 1.337 1.00 38.304 22.441 -0.548 1.00 38.461 21.154 -1.217 1.00 37.141 20.587 -1.753 1.00 37.101 19.496 -2.321 1.00 39.105 20.147 -0.260 1.00 38.243 19.780 0.940 1.00 37.259 20.445 1.166 1.00 38.482 18.751 1.525 1.00 38.469 22.502 0.447 1.00 39.100 21.269 -2.093 1.00 39.447 19.237 -0.753 1.00 39.966 20.726 0.075 1.00 36.063 21.342 -1.579 1.00 34.756 20.922 -2.058 1.00 34.270 21.904 -3.110 1.00 33.089 21.928 -3.452 1.00 33.757 20.825 -0.898 1.00 34.104 19.788 0.178 1.00 33.124 19.892 1.338 1.00 34.074 18.394 -0.430 1.00 36.151 22.229 -1.103 1.00 34.837 19.944 -2.530 1.00 33.856 21.831 -0.494 1.00 32.738 20.676 -1.255 1.00 35.126 19.989 0.503 1.00 33.379 19.153 2.098 1.00 33.179 20.890 1.773 1.00 32.113 19.708 0.978 1.00 34.322 17.658 0.336 1.00 33.078 18.189 -0.823 1.00 34.802 18.334 -1.239 1.00 35.194 22.715 -3.615 1.00 34.893 23.700 -4.649 1.00 35.724 23.337 -5.882 1.00 36.950 23.491 -5.885 1.00 35.207 25.139 -4.202 1.00 34.391 25.502 -2.958 1.00 34.929 26.120 -5.331 1.00 34.773 26.830 -2.344 1.00 36.139 22.642 -3.265 1.00 33.845 23.642 -4.941 1.00 36.257 25.202 -3.917 1.00 33.343 25.527 -3.254 1.00 34.543 24.707 -2.228 1.00 Page 19

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1231 1232 1233 1234 1235 1236 1237 1238 1239 1240 1241 1242 1243 1244 1245 1246 1247 1248 1249 1250 1251 1252 1253 1254 1255 1256

1HG2 2HG2 3HG2 1HD1 2HD1 3HD1 N CA C O CB OG H HA 1HB 2HB HG N CA C O CB OG H HA 1HB 2HB HG N CA C O CB CG CD HA 1HB 2HB 1HG 2HG 1HD 2HD N CA C O CB CG OD1 OD2 H HA 1HB 2HB N CA C O CB CG1 CG2 CD1 H

ILE ILE ILE ILE ILE ILE SER SER SER SER SER SER SER SER SER SER SER SER SER SER SER SER SER SER SER SER SER SER PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ILE ILE ILE ILE ILE ILE ILE ILE ILE


113 113 113 113 113 113 114 114 114 114 114 114 114 114 114 114 114 115 115 115 115 115 115 115 115 115 115 115 116 116 116 116 116 116 116 116 116 116 116 116 116 116 117 117 117 117 117 117 117 117 117 117 117 117 118 118 118 118 118 118 118 118 118


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


1257 1258 1259 1260 1261 1262 1263 1264 1265 1266 1267 1268 1269 1270 1271 1272 1273 1274 1275 1276 1277 1278 1279 1280 1281 1282 1283 1284 1285 1286 1287 1288 1289 1290 1291 1292 1293 1294 1295 1296 1297 1298 1299 1300 1301 1302 1303 1304 1305 1306 1307 1308 1309 1310 1311 1312 1313 1314 1315 1316 1317 1318 1319

HA HB 1HG1 2HG1 1HG2 2HG2 3HG2 1HD1 2HD1 3HD1 N CA C O CB CG ND1 CD2 CE1 NE2 H HA 1HB 2HB HD2 HE1 HE2 N CA C O H 1HA 2HA N CA C O CB OG1 CG2 H HA HB HG1 1HG2 2HG2 3HG2 N CA C O CB CG CD1 CD2 CE1 CE2 CZ OH H HA 1HB

ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS GLY GLY GLY GLY GLY GLY GLY THR THR THR THR THR THR THR THR THR THR THR THR THR THR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR


118 118 118 118 118 118 118 118 118 118 119 119 119 119 119 119 119 119 119 119 119 119 119 119 119 119 119 120 120 120 120 120 120 120 121 121 121 121 121 121 121 121 121 121 121 121 121 121 122 122 122 122 122 122 122 122 122 122 122 122 122 122 122

PEDF_P1_final_docking_model.txt 38.594 30.777 -5.804 1.00 40.161 28.732 -5.236 1.00 39.204 28.618 -2.972 1.00 38.648 30.297 -3.162 1.00 41.529 29.122 -3.215 1.00 42.114 30.099 -4.582 1.00 41.151 30.859 -3.294 1.00 36.828 28.701 -3.620 1.00 37.259 29.621 -5.082 1.00 37.814 27.941 -4.891 1.00 41.126 32.697 -5.193 1.00 41.539 33.972 -4.629 1.00 40.981 35.125 -5.450 1.00 40.781 36.227 -4.937 1.00 43.055 34.024 -4.450 1.00 43.506 32.862 -3.591 1.00 43.151 32.682 -2.304 1.00 44.329 31.801 -3.974 1.00 43.740 31.520 -1.874 1.00 44.462 30.985 -2.905 1.00 41.752 32.210 -5.819 1.00 41.135 34.075 -3.622 1.00 43.551 33.955 -5.419 1.00 43.343 34.954 -3.960 1.00 44.829 31.558 -4.912 1.00 43.592 31.167 -0.854 1.00 44.999 30.130 -2.872 1.00 40.735 34.866 -6.730 1.00 40.188 35.892 -7.601 1.00 38.759 36.145 -7.180 1.00 38.280 37.285 -7.168 1.00 40.927 33.950 -7.109 1.00 40.785 36.799 -7.501 1.00 40.229 35.543 -8.632 1.00 38.084 35.058 -6.821 1.00 36.700 35.104 -6.373 1.00 36.611 35.797 -5.009 1.00 35.715 36.609 -4.767 1.00 36.087 33.695 -6.275 1.00 36.087 33.080 -7.570 1.00 34.660 33.769 -5.754 1.00 38.558 34.167 -6.864 1.00 36.106 35.694 -7.071 1.00 36.689 33.092 -5.596 1.00 36.962 32.731 -7.758 1.00 34.243 32.764 -5.692 1.00 34.657 34.226 -4.765 1.00 34.056 34.371 -6.433 1.00 37.551 35.474 -4.125 1.00 37.576 36.051 -2.793 1.00 37.631 37.580 -2.857 1.00 37.030 38.281 -2.036 1.00 38.801 35.518 -2.051 1.00 38.498 35.315 -0.588 1.00 38.434 36.393 0.285 1.00 38.289 34.028 -0.115 1.00 38.181 36.179 1.635 1.00 38.034 33.817 1.232 1.00 37.994 34.888 2.111 1.00 37.776 34.655 3.455 1.00 38.266 34.810 -4.387 1.00 36.659 35.795 -2.262 1.00 39.081 34.576 -2.525 1.00 Page 21

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


1320 1321 1322 1323 1324 1325 1326 1327 1328 1329 1330 1331 1332 1333 1334 1335 1336 1337 1338 1339 1340 1341 1342 1343 1344 1345 1346 1347 1348 1349 1350 1351 1352 1353 1354 1355 1356 1357 1358 1359 1360 1361 1362 1363 1364 1365 1366 1367 1368 1369 1370 1371 1372 1373 1374 1375 1376 1377 1378 1379 1380 1381 1382

2HB HD1 HD2 HE1 HE2 HH N CA C O CB CG CD CE NZ H HA 1HB 2HB 1HG 2HG 1HD 2HD 1HE 2HE 1HZ 2HZ 3HZ N CA C O CB CG CD OE1 OE2 H HA 1HB 2HB 1HG 2HG N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N

TYR TYR TYR TYR TYR TYR LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU


122 122 122 122 122 122 123 123 123 123 123 123 123 123 123 123 123 123 123 123 123 123 123 123 123 123 123 123 124 124 124 124 124 124 124 124 124 124 124 124 124 124 124 125 125 125 125 125 125 125 125 125 125 125 125 125 125 125 125 125 125 125 126

PEDF_P1_final_docking_model.txt 39.601 36.245 -2.186 1.00 38.586 37.398 -0.108 1.00 38.330 33.196 -0.818 1.00 38.130 37.020 2.326 1.00 37.865 32.806 1.603 1.00 37.667 33.724 3.662 1.00 38.362 38.089 -3.841 1.00 38.501 39.522 -4.037 1.00 37.097 40.068 -4.245 1.00 36.699 41.060 -3.636 1.00 39.406 39.847 -5.226 1.00 39.627 41.336 -5.460 1.00 40.592 41.578 -6.611 1.00 40.780 43.065 -6.873 1.00 41.710 43.317 -8.007 1.00 38.835 37.458 -4.472 1.00 38.939 39.975 -3.147 1.00 40.365 39.364 -5.039 1.00 38.944 39.407 -6.110 1.00 38.665 41.797 -5.689 1.00 40.031 41.774 -4.548 1.00 41.553 41.129 -6.358 1.00 40.193 41.100 -7.505 1.00 39.807 43.498 -7.098 1.00 41.180 43.523 -5.968 1.00 41.807 44.313 -8.147 1.00 42.614 42.917 -7.798 1.00 41.340 42.894 -8.846 1.00 36.346 39.387 -5.100 1.00 34.976 39.760 -5.415 1.00 34.099 39.745 -4.171 1.00 33.523 40.764 -3.800 1.00 34.398 38.822 -6.478 1.00 34.881 39.103 -7.893 1.00 34.458 40.471 -8.353 1.00 33.290 40.767 -8.279 1.00 35.316 41.259 -8.674 1.00 36.750 38.576 -5.547 1.00 34.950 40.780 -5.799 1.00 34.679 37.808 -6.194 1.00 33.314 38.925 -6.437 1.00 35.959 38.998 -8.013 1.00 34.374 38.347 -8.492 1.00 34.004 38.581 -3.532 1.00 33.202 38.411 -2.319 1.00 33.407 39.589 -1.371 1.00 32.442 40.179 -0.885 1.00 33.559 37.093 -1.621 1.00 32.751 36.785 -0.354 1.00 31.275 36.641 -0.698 1.00 33.282 35.514 0.292 1.00 34.507 37.788 -3.904 1.00 32.144 38.395 -2.580 1.00 33.291 36.395 -2.413 1.00 34.627 37.019 -1.418 1.00 32.917 37.607 0.343 1.00 30.709 36.423 0.208 1.00 30.911 37.570 -1.137 1.00 31.146 35.827 -1.410 1.00 32.707 35.297 1.193 1.00 33.187 34.683 -0.408 1.00 34.331 35.649 0.555 1.00 34.668 39.919 -1.105 1.00 Page 22

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


1383 1384 1385 1386 1387 1388 1389 1390 1391 1392 1393 1394 1395 1396 1397 1398 1399 1400 1401 1402 1403 1404 1405 1406 1407 1408 1409 1410 1411 1412 1413 1414 1415 1416 1417 1418 1419 1420 1421 1422 1423 1424 1425 1426 1427 1428 1429 1430 1431 1432 1433 1434 1435 1436 1437 1438 1439 1440 1441 1442 1443 1444 1445

CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB CG OD1 OD2 H HA 1HB 2HB N CA C O CB OG1 CG2 H HA HB HG1 1HG2 2HG2 3HG2 N CA C O CB CG1 CG2 H HA HB 1HG1 2HG1 3HG1 1HG2 2HG2 3HG2 N CA C

LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP THR THR THR THR THR THR THR THR THR THR THR THR THR THR VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL THR THR THR


126 126 126 126 126 126 126 126 126 126 126 126 126 126 126 126 126 126 127 127 127 127 127 127 127 127 127 127 127 127 128 128 128 128 128 128 128 128 128 128 128 128 128 128 129 129 129 129 129 129 129 129 129 129 129 129 129 129 129 129 130 130 130

PEDF_P1_final_docking_model.txt 34.991 41.028 -0.215 1.00 34.435 42.341 -0.744 1.00 33.816 43.107 0.000 1.00 36.510 41.131 -0.026 1.00 37.144 39.998 0.791 1.00 38.662 40.109 0.747 1.00 36.640 40.061 2.225 1.00 35.419 39.392 -1.527 1.00 34.524 40.865 0.756 1.00 36.823 41.062 -1.066 1.00 36.801 42.101 0.378 1.00 36.803 39.057 0.359 1.00 39.104 39.301 1.329 1.00 39.002 40.039 -0.286 1.00 38.969 41.067 1.166 1.00 37.091 39.255 2.804 1.00 36.912 41.021 2.665 1.00 35.556 39.952 2.236 1.00 34.653 42.602 -2.028 1.00 34.144 43.827 -2.638 1.00 32.640 43.956 -2.406 1.00 32.130 45.049 -2.142 1.00 34.454 43.854 -4.137 1.00 35.919 44.097 -4.472 1.00 36.657 44.464 -3.588 1.00 36.321 43.767 -5.562 1.00 35.176 41.950 -2.595 1.00 34.613 44.694 -2.172 1.00 34.102 42.970 -4.669 1.00 33.864 44.720 -4.439 1.00 31.939 42.828 -2.490 1.00 30.491 42.790 -2.308 1.00 29.980 43.059 -0.892 1.00 29.123 43.922 -0.707 1.00 29.939 41.424 -2.757 1.00 30.204 41.235 -4.153 1.00 28.439 41.349 -2.515 1.00 32.433 41.969 -2.687 1.00 30.024 43.581 -2.895 1.00 30.437 40.637 -2.192 1.00 31.114 40.951 -4.270 1.00 28.068 40.377 -2.838 1.00 28.236 41.482 -1.452 1.00 27.941 42.135 -3.081 1.00 30.489 42.328 0.102 1.00 30.001 42.496 1.473 1.00 30.544 43.689 2.240 1.00 29.995 44.054 3.280 1.00 30.202 41.200 2.257 1.00 29.451 40.053 1.577 1.00 31.687 40.885 2.444 1.00 31.216 41.652 -0.082 1.00 28.928 42.693 1.491 1.00 29.784 41.322 3.256 1.00 29.600 39.134 2.144 1.00 28.387 40.286 1.539 1.00 29.831 39.920 0.564 1.00 31.795 39.958 3.006 1.00 32.161 40.776 1.468 1.00 32.165 41.698 2.991 1.00 31.607 44.309 1.748 1.00 32.140 45.457 2.466 1.00 31.673 46.780 1.861 1.00 Page 23

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


1446 1447 1448 1449 1450 1451 1452 1453 1454 1455 1456 1457 1458 1459 1460 1461 1462 1463 1464 1465 1466 1467 1468 1469 1470 1471 1472 1473 1474 1475 1476 1477 1478 1479 1480 1481 1482 1483 1484 1485 1486 1487 1488 1489 1490 1491 1492 1493 1494 1495 1496 1497 1498 1499 1500 1501 1502 1503 1504 1505 1506 1507 1508

O CB OG1 CG2 H HA HB HG1 1HG2 2HG2 3HG2 N CA C O CB H HA 1HB 2HB 3HB N CA C O CB CG CD HA 1HB 2HB 1HG 2HG 1HD 2HD N CA C O CB CG CD OE1 NE2 H HA 1HB 2HB 1HG 2HG 1HE2 2HE2 N CA C O CB CG CD CE NZ H HA

THR THR THR THR THR THR THR THR THR THR THR ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS


130 130 130 130 130 130 130 130 130 130 130 131 131 131 131 131 131 131 131 131 131 132 132 132 132 132 132 132 132 132 132 132 132 132 132 133 133 133 133 133 133 133 133 133 133 133 133 133 133 133 133 133 134 134 134 134 134 134 134 134 134 134 134

PEDF_P1_final_docking_model.txt 31.971 47.848 2.401 1.00 33.655 45.343 2.678 1.00 34.363 45.314 1.441 1.00 34.004 44.120 3.529 1.00 32.056 44.011 0.894 1.00 31.772 45.453 3.492 1.00 34.011 46.241 3.182 1.00 33.738 45.373 0.714 1.00 35.084 44.067 3.662 1.00 33.521 44.205 4.502 1.00 33.655 43.218 3.028 1.00 30.930 46.706 0.754 1.00 30.408 47.898 0.079 1.00 29.688 48.802 1.075 1.00 29.088 48.325 2.035 1.00 29.422 47.454 -1.010 1.00 30.723 45.794 0.372 1.00 31.245 48.459 -0.337 1.00 29.026 48.332 -1.521 1.00 29.937 46.817 -1.730 1.00 28.603 46.899 -0.555 1.00 29.721 50.123 0.847 1.00 29.084 51.118 1.721 1.00 27.620 50.847 2.072 1.00 27.206 51.073 3.211 1.00 29.280 52.429 0.955 1.00 30.560 52.216 0.152 1.00 30.449 50.752 -0.252 1.00 29.555 51.176 2.713 1.00 28.427 52.641 0.294 1.00 29.378 53.285 1.639 1.00 30.603 52.892 -0.715 1.00 31.451 52.420 0.763 1.00 29.904 50.622 -1.199 1.00 31.434 50.280 -0.381 1.00 26.840 50.381 1.094 1.00 25.421 50.096 1.314 1.00 25.224 49.142 2.492 1.00 24.238 49.248 3.226 1.00 24.793 49.496 0.053 1.00 24.612 50.486 -1.084 1.00 24.070 49.832 -2.341 1.00 23.874 48.614 -2.388 1.00 23.829 50.637 -3.369 1.00 27.238 50.221 0.180 1.00 24.899 51.018 1.571 1.00 25.444 48.682 -0.266 1.00 23.824 49.091 0.346 1.00 24.105 51.442 -0.959 1.00 25.681 50.659 -1.219 1.00 23.471 50.262 -4.225 1.00 24.005 51.618 -3.289 1.00 26.151 48.202 2.667 1.00 26.079 47.277 3.799 1.00 26.514 48.196 4.926 1.00 26.648 49.395 4.714 1.00 27.046 46.102 3.570 1.00 26.949 45.402 2.195 1.00 25.733 44.488 1.964 1.00 25.630 43.909 0.534 1.00 24.413 43.096 0.366 1.00 26.917 48.121 2.013 1.00 25.059 46.906 3.908 1.00 Page 24

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


1509 1510 1511 1512 1513 1514 1515 1516 1517 1518 1519 1520 1521 1522 1523 1524 1525 1526 1527 1528 1529 1530 1531 1532 1533 1534 1535 1536 1537 1538 1539 1540 1541 1542 1543 1544 1545 1546 1547 1548 1549 1550 1551 1552 1553 1554 1555 1556 1557 1558 1559 1560 1561 1562 1563 1564 1565 1566 1567 1568 1569 1570 1571

1HB 2HB 1HG 2HG 1HD 2HD 1HE 2HE 1HZ 2HZ 3HZ N CA C O CB CG OD1 ND2 H HA 1HB 2HB 1HD2 2HD2 N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB CG CD CE NZ H HA 1HB 2HB 1HG 2HG 1HD 2HD 1HE 2HE

LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS


134 134 134 134 134 134 134 134 134 134 134 135 135 135 135 135 135 135 135 135 135 135 135 135 135 136 136 136 136 136 136 136 136 136 136 136 136 136 136 136 136 136 136 136 137 137 137 137 137 137 137 137 137 137 137 137 137 137 137 137 137 137 137

PEDF_P1_final_docking_model.txt 28.057 46.492 3.691 1.00 26.846 45.366 4.349 1.00 26.917 46.167 1.418 1.00 27.835 44.783 2.058 1.00 25.790 43.651 2.662 1.00 24.826 45.060 2.159 1.00 25.616 44.739 -0.171 1.00 26.510 43.293 0.351 1.00 24.378 42.734 -0.576 1.00 24.428 42.327 1.022 1.00 23.599 43.669 0.537 1.00 26.729 47.681 6.121 1.00 27.203 48.573 7.173 1.00 28.317 47.877 7.917 1.00 28.695 48.254 9.030 1.00 26.096 48.988 8.125 1.00 24.972 49.731 7.459 1.00 25.106 50.905 7.095 1.00 23.839 49.081 7.373 1.00 26.580 46.705 6.334 1.00 27.602 49.487 6.731 1.00 25.681 48.278 8.842 1.00 26.729 49.705 8.649 1.00 23.047 49.514 6.941 1.00 23.766 48.154 7.737 1.00 28.850 46.863 7.247 1.00 29.909 46.025 7.765 1.00 31.306 46.488 7.388 1.00 31.582 46.804 6.232 1.00 29.670 44.596 7.281 1.00 30.642 43.574 7.866 1.00 30.406 43.324 9.356 1.00 30.652 42.285 7.049 1.00 28.484 46.679 6.324 1.00 29.895 46.051 8.854 1.00 28.668 44.440 7.677 1.00 29.644 44.537 6.193 1.00 31.642 44.002 7.797 1.00 31.124 42.590 9.720 1.00 30.532 44.257 9.906 1.00 29.395 42.947 9.506 1.00 31.355 41.579 7.492 1.00 29.653 41.849 7.045 1.00 30.956 42.505 6.026 1.00 32.182 46.533 8.382 1.00 33.570 46.890 8.163 1.00 34.360 45.691 8.664 1.00 34.281 45.330 9.839 1.00 33.960 48.175 8.896 1.00 33.234 49.422 8.410 1.00 33.650 50.650 9.206 1.00 32.961 51.904 8.689 1.00 31.499 51.892 8.969 1.00 31.873 46.312 9.318 1.00 33.747 47.049 7.099 1.00 33.744 48.017 9.953 1.00 35.034 48.306 8.761 1.00 33.472 49.573 7.356 1.00 32.162 49.263 8.521 1.00 33.384 50.493 10.252 1.00 34.730 50.769 9.121 1.00 33.416 52.768 9.173 1.00 33.123 51.965 7.613 1.00 Page 25

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


1572 1573 1574 1575 1576 1577 1578 1579 1580 1581 1582 1583 1584 1585 1586 1587 1588 1589 1590 1591 1592 1593 1594 1595 1596 1597 1598 1599 1600 1601 1602 1603 1604 1605 1606 1607 1608 1609 1610 1611 1612 1613 1614 1615 1616 1617 1618 1619 1620 1621 1622 1623 1624 1625 1626 1627 1628 1629 1630 1631 1632 1633 1634

1HZ 2HZ 3HZ N CA C O CB OG H HA 1HB 2HB HG N CA C O CB H HA 1HB 2HB 3HB N CA C O CB OG H HA 1HB 2HB HG N CA C O CB CG CD NE CZ NH1 NH2 H HA 1HB 2HB 1HG 2HG 1HD 2HD HE 1HH1 2HH1 1HH2 2HH2 N CA C O

LYS LYS LYS SER SER SER SER SER SER SER SER SER SER SER ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA SER SER SER SER SER SER SER SER SER SER SER ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ILE ILE ILE ILE


137 137 137 138 138 138 138 138 138 138 138 138 138 138 139 139 139 139 139 139 139 139 139 139 140 140 140 140 140 140 140 140 140 140 140 141 141 141 141 141 141 141 141 141 141 141 141 141 141 141 141 141 141 141 141 141 141 141 141 142 142 142 142


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


1635 1636 1637 1638 1639 1640 1641 1642 1643 1644 1645 1646 1647 1648 1649 1650 1651 1652 1653 1654 1655 1656 1657 1658 1659 1660 1661 1662 1663 1664 1665 1666 1667 1668 1669 1670 1671 1672 1673 1674 1675 1676 1677 1678 1679 1680 1681 1682 1683 1684 1685 1686 1687 1688 1689 1690 1691 1692 1693 1694 1695 1696 1697

CB CG1 CG2 CD1 H HA HB 1HG1 2HG1 1HG2 2HG2 3HG2 1HD1 2HD1 3HD1 N CA C O CB CG1 CG2 H HA HB 1HG1 2HG1 3HG1 1HG2 2HG2 3HG2 N CA C O CB CG CD1 CD2 CE1 CE2 CZ H HA 1HB 2HB HD1 HD2 HE1 HE2 HZ N CA C O CB CG CD OE1 OE2 H HA 1HB

ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU


142 142 142 142 142 142 142 142 142 142 142 142 142 142 142 143 143 143 143 143 143 143 143 143 143 143 143 143 143 143 143 144 144 144 144 144 144 144 144 144 144 144 144 144 144 144 144 144 144 144 144 145 145 145 145 145 145 145 145 145 145 145 145


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


1698 1699 1700 1701 1702 1703 1704 1705 1706 1707 1708 1709 1710 1711 1712 1713 1714 1715 1716 1717 1718 1719 1720 1721 1722 1723 1724 1725 1726 1727 1728 1729 1730 1731 1732 1733 1734 1735 1736 1737 1738 1739 1740 1741 1742 1743 1744 1745 1746 1747 1748 1749 1750 1751 1752 1753 1754 1755 1756 1757 1758 1759 1760

2HB 1HG 2HG N CA C O CB CG CD CE NZ H HA 1HB 2HB 1HG 2HG 1HD 2HD 1HE 2HE 1HZ 2HZ 3HZ N CA C O CB CG CD CE NZ H HA 1HB 2HB 1HG 2HG 1HD 2HD 1HE 2HE 1HZ 2HZ 3HZ N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1

GLU GLU GLU LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU


145 145 145 146 146 146 146 146 146 146 146 146 146 146 146 146 146 146 146 146 146 146 146 146 146 147 147 147 147 147 147 147 147 147 147 147 147 147 147 147 147 147 147 147 147 147 147 148 148 148 148 148 148 148 148 148 148 148 148 148 148 148 148


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


1761 1762 1763 1764 1765 1766 1767 1768 1769 1770 1771 1772 1773 1774 1775 1776 1777 1778 1779 1780 1781 1782 1783 1784 1785 1786 1787 1788 1789 1790 1791 1792 1793 1794 1795 1796 1797 1798 1799 1800 1801 1802 1803 1804 1805 1806 1807 1808 1809 1810 1811 1812 1813 1814 1815 1816 1817 1818 1819 1820 1821 1822 1823

1HD2 2HD2 3HD2 N CA C O CB CG CD NE CZ NH1 NH2 H HA 1HB 2HB 1HG 2HG 1HD 2HD HE 1HH1 2HH1 1HH2 2HH2 N CA C O CB CG1 CG2 CD1 H HA HB 1HG1 2HG1 1HG2 2HG2 3HG2 1HD1 2HD1 3HD1 N CA C O CB CG CD CE NZ H HA 1HB 2HB 1HG 2HG 1HD 2HD

LEU LEU LEU ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS


148 148 148 149 149 149 149 149 149 149 149 149 149 149 149 149 149 149 149 149 149 149 149 149 149 149 149 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 151 151 151 151 151 151 151 151 151 151 151 151 151 151 151 151 151

PEDF_P1_final_docking_model.txt 58.774 35.674 7.712 1.00 58.879 36.198 9.410 1.00 58.233 37.305 8.175 1.00 62.415 38.918 6.368 1.00 62.431 39.408 4.987 1.00 61.460 38.574 4.139 1.00 61.677 37.378 3.922 1.00 63.831 39.435 4.391 1.00 64.792 40.404 5.061 1.00 66.176 40.365 4.521 1.00 67.090 41.312 5.138 1.00 68.361 41.518 4.741 1.00 68.884 40.822 3.757 1.00 69.077 42.423 5.385 1.00 62.802 38.007 6.571 1.00 62.090 40.443 4.959 1.00 64.228 38.424 4.466 1.00 63.723 39.706 3.341 1.00 64.410 41.417 4.933 1.00 64.839 40.165 6.124 1.00 66.587 39.368 4.673 1.00 66.146 40.587 3.455 1.00 66.940 41.938 5.919 1.00 68.329 40.121 3.286 1.00 69.839 40.991 3.475 1.00 68.665 42.937 6.152 1.00 70.032 42.597 5.109 1.00 60.397 39.220 3.661 1.00 59.360 38.559 2.867 1.00 59.548 38.608 1.346 1.00 59.697 39.680 0.754 1.00 57.980 39.158 3.195 1.00 57.705 39.073 4.698 1.00 56.890 38.444 2.410 1.00 56.480 39.842 5.139 1.00 60.311 40.207 3.859 1.00 59.358 37.486 3.055 1.00 57.981 40.216 2.935 1.00 57.581 38.020 4.946 1.00 58.583 39.465 5.211 1.00 55.922 38.879 2.653 1.00 57.079 38.555 1.343 1.00 56.888 37.386 2.670 1.00 56.350 39.735 6.216 1.00 56.604 40.898 4.892 1.00 55.601 39.452 4.629 1.00 59.517 37.437 0.718 1.00 59.665 37.343 -0.726 1.00 58.506 38.087 -1.395 1.00 57.342 37.845 -1.087 1.00 59.707 35.882 -1.178 1.00 60.955 35.125 -0.745 1.00 60.942 33.694 -1.261 1.00 62.189 32.938 -0.831 1.00 62.181 31.530 -1.313 1.00 59.388 36.592 1.255 1.00 60.594 37.825 -1.034 1.00 58.824 35.394 -0.763 1.00 59.643 35.882 -2.266 1.00 61.829 35.646 -1.137 1.00 60.996 35.119 0.344 1.00 60.057 33.191 -0.868 1.00 60.890 33.718 -2.350 1.00 Page 29

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


1824 1825 1826 1827 1828 1829 1830 1831 1832 1833 1834 1835 1836 1837 1838 1839 1840 1841 1842 1843 1844 1845 1846 1847 1848 1849 1850 1851 1852 1853 1854 1855 1856 1857 1858 1859 1860 1861 1862 1863 1864 1865 1866 1867 1868 1869 1870 1871 1872 1873 1874 1875 1876 1877 1878 1879 1880 1881 1882 1883 1884 1885 1886

1HE 2HE 1HZ 2HZ 3HZ N CA C O CB OG H HA 1HB 2HB HG N CA C O CB OG H HA 1HB 2HB HG N CA C O CB CG CD1 CD2 CE1 CE2 CZ H HA 1HB 2HB HD1 HD2 HE1 HE2 HZ N CA C O CB CG1 CG2 H HA HB 1HG1 2HG1 3HG1 1HG2 2HG2 3HG2

LYS LYS LYS LYS LYS SER SER SER SER SER SER SER SER SER SER SER SER SER SER SER SER SER SER SER SER SER SER PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL


151 151 151 151 151 152 152 152 152 152 152 152 152 152 152 152 153 153 153 153 153 153 153 153 153 153 153 154 154 154 154 154 154 154 154 154 154 154 154 154 154 154 154 154 154 154 154 155 155 155 155 155 155 155 155 155 155 155 155 155 155 155 155

PEDF_P1_final_docking_model.txt 63.059 33.454 -1.235 1.00 62.236 32.947 0.258 1.00 63.023 31.064 -1.006 1.00 61.375 31.050 -0.938 1.00 62.139 31.520 -2.322 1.00 58.835 39.003 -2.301 1.00 57.829 39.796 -3.008 1.00 56.853 38.941 -3.806 1.00 55.751 39.388 -4.139 1.00 58.514 40.790 -3.926 1.00 59.209 40.155 -4.964 1.00 59.813 39.153 -2.505 1.00 57.260 40.457 -2.353 1.00 57.757 41.446 -4.355 1.00 59.215 41.382 -3.339 1.00 59.626 40.817 -5.520 1.00 57.270 37.717 -4.119 1.00 56.433 36.786 -4.865 1.00 55.207 36.458 -4.013 1.00 54.170 36.023 -4.523 1.00 57.205 35.531 -5.222 1.00 57.551 34.785 -4.087 1.00 58.193 37.426 -3.831 1.00 56.157 37.150 -5.855 1.00 56.587 34.916 -5.876 1.00 58.115 35.818 -5.748 1.00 58.036 34.001 -4.356 1.00 55.338 36.662 -2.707 1.00 54.233 36.415 -1.802 1.00 53.381 37.673 -1.662 1.00 52.152 37.612 -1.755 1.00 54.748 35.959 -0.435 1.00 53.690 35.929 0.631 1.00 52.666 34.995 0.587 1.00 53.717 36.835 1.681 1.00 51.692 34.967 1.567 1.00 52.746 36.809 2.663 1.00 51.732 35.873 2.605 1.00 56.216 36.993 -2.333 1.00 53.589 35.634 -2.208 1.00 55.150 34.949 -0.504 1.00 55.525 36.636 -0.084 1.00 52.635 34.278 -0.234 1.00 54.517 37.575 1.726 1.00 50.893 34.227 1.520 1.00 52.778 37.526 3.483 1.00 50.965 35.852 3.378 1.00 54.038 38.809 -1.431 1.00 53.344 40.083 -1.272 1.00 52.509 40.440 -2.503 1.00 51.416 40.996 -2.380 1.00 54.337 41.227 -0.992 1.00 53.624 42.571 -1.028 1.00 55.020 41.024 0.352 1.00 55.046 38.786 -1.364 1.00 52.619 40.041 -0.458 1.00 55.119 41.210 -1.751 1.00 54.341 43.368 -0.829 1.00 53.180 42.721 -2.012 1.00 52.842 42.589 -0.269 1.00 55.718 41.840 0.533 1.00 54.268 41.005 1.141 1.00 55.562 40.078 0.345 1.00 Page 30

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


1887 1888 1889 1890 1891 1892 1893 1894 1895 1896 1897 1898 1899 1900 1901 1902 1903 1904 1905 1906 1907 1908 1909 1910 1911 1912 1913 1914 1915 1916 1917 1918 1919 1920 1921 1922 1923 1924 1925 1926 1927 1928 1929 1930 1931 1932 1933 1934 1935 1936 1937 1938 1939 1940 1941 1942 1943 1944 1945 1946 1947 1948 1949

N CA C O CB H HA 1HB 2HB 3HB N CA C O CB CG CD HA 1HB 2HB 1HG 2HG 1HD 2HD N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB CG CD OE1 OE2 H HA 1HB 2HB 1HG 2HG N CA C O CB

ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU LYS LYS LYS LYS LYS


156 156 156 156 156 156 156 156 156 156 157 157 157 157 157 157 157 157 157 157 157 157 157 157 158 158 158 158 158 158 158 158 158 158 158 158 158 158 158 158 158 158 158 159 159 159 159 159 159 159 159 159 159 159 159 159 159 159 160 160 160 160 160

PEDF_P1_final_docking_model.txt 53.024 40.113 -3.685 1.00 52.324 40.400 -4.933 1.00 50.903 39.809 -4.990 1.00 49.933 40.535 -5.220 1.00 53.182 40.122 -6.183 1.00 53.923 39.654 -3.720 1.00 52.201 41.479 -5.025 1.00 52.605 40.355 -7.078 1.00 54.077 40.744 -6.156 1.00 53.469 39.072 -6.201 1.00 50.763 38.484 -4.795 1.00 49.437 37.859 -4.833 1.00 48.537 38.357 -3.700 1.00 47.346 38.619 -3.902 1.00 49.731 36.360 -4.713 1.00 51.095 36.296 -4.115 1.00 51.808 37.524 -4.616 1.00 48.880 38.097 -5.751 1.00 48.992 35.854 -4.075 1.00 49.703 35.864 -5.695 1.00 51.047 36.287 -3.016 1.00 51.621 35.380 -4.422 1.00 52.550 37.897 -3.894 1.00 52.343 37.338 -5.559 1.00 49.121 38.480 -2.510 1.00 48.403 38.932 -1.323 1.00 47.742 40.303 -1.464 1.00 46.545 40.453 -1.210 1.00 49.372 38.919 -0.141 1.00 48.756 39.414 1.164 1.00 47.533 38.600 1.562 1.00 49.778 39.451 2.292 1.00 50.101 38.249 -2.434 1.00 47.576 38.253 -1.116 1.00 49.573 37.850 -0.088 1.00 50.295 39.451 -0.370 1.00 48.431 40.442 0.999 1.00 47.126 38.987 2.496 1.00 46.777 38.674 0.780 1.00 47.818 37.557 1.695 1.00 49.300 39.810 3.204 1.00 50.173 38.449 2.459 1.00 50.594 40.122 2.023 1.00 48.532 41.298 -1.858 1.00 48.058 42.672 -2.034 1.00 47.019 42.756 -3.161 1.00 46.071 43.539 -3.099 1.00 49.232 43.610 -2.326 1.00 48.848 45.078 -2.448 1.00 50.060 45.943 -2.654 1.00 51.146 45.416 -2.679 1.00 49.894 47.115 -2.899 1.00 49.502 41.085 -2.042 1.00 47.559 43.010 -1.125 1.00 49.946 43.488 -1.511 1.00 49.684 43.274 -3.259 1.00 48.125 45.272 -3.240 1.00 48.399 45.306 -1.483 1.00 47.196 41.931 -4.184 1.00 46.272 41.917 -5.304 1.00 44.893 41.390 -4.896 1.00 43.911 42.140 -4.868 1.00 46.842 41.074 -6.446 1.00 Page 31

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


1950 1951 1952 1953 1954 1955 1956 1957 1958 1959 1960 1961 1962 1963 1964 1965 1966 1967 1968 1969 1970 1971 1972 1973 1974 1975 1976 1977 1978 1979 1980 1981 1982 1983 1984 1985 1986 1987 1988 1989 1990 1991 1992 1993 1994 1995 1996 1997 1998 1999 2000 2001 2002 2003 2004 2005 2006 2007 2008 2009 2010 2011 2012

CG CD CE NZ H HA 1HB 2HB 1HG 2HG 1HD 2HD 1HE 2HE 1HZ 2HZ 3HZ N CA C O CB OG H HA 1HB 2HB HG N CA C O CB CG CD1 CD2 CE1 CE2 CZ OH H HA 1HB 2HB HD1 HD2 HE1 HE2 HH N CA C O H 1HA 2HA N CA C O CB OG1 CG2

LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS SER SER SER SER SER SER SER SER SER SER SER TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR GLY GLY GLY GLY GLY GLY GLY THR THR THR THR THR THR THR


160 160 160 160 160 160 160 160 160 160 160 160 160 160 160 160 160 161 161 161 161 161 161 161 161 161 161 161 162 162 162 162 162 162 162 162 162 162 162 162 162 162 162 162 162 162 162 162 162 163 163 163 163 163 163 163 164 164 164 164 164 164 164

PEDF_P1_final_docking_model.txt 45.969 41.032 -7.693 1.00 46.631 40.231 -8.805 1.00 45.758 40.186 -10.050 1.00 46.387 39.394 -11.142 1.00 47.985 41.300 -4.189 1.00 46.113 42.934 -5.664 1.00 47.816 41.496 -6.699 1.00 46.974 40.063 -6.062 1.00 45.015 40.573 -7.432 1.00 45.800 42.053 -8.032 1.00 47.587 40.697 -9.047 1.00 46.803 39.216 -8.446 1.00 44.802 39.738 -9.782 1.00 45.596 41.208 -10.391 1.00 45.778 39.389 -11.948 1.00 47.273 39.810 -11.392 1.00 46.536 38.446 -10.827 1.00 44.831 40.103 -4.569 1.00 43.583 39.459 -4.188 1.00 42.964 39.897 -2.859 1.00 41.747 40.036 -2.761 1.00 43.807 37.960 -4.164 1.00 43.898 37.420 -5.453 1.00 45.681 39.557 -4.587 1.00 42.795 39.565 -4.935 1.00 44.733 37.754 -3.627 1.00 42.974 37.491 -3.641 1.00 43.016 37.308 -5.816 1.00 43.777 40.117 -1.834 1.00 43.215 40.507 -0.549 1.00 43.383 41.971 -0.176 1.00 42.901 42.413 0.870 1.00 43.829 39.640 0.553 1.00 43.523 38.165 0.414 1.00 44.357 37.330 -0.316 1.00 42.403 37.612 1.016 1.00 44.082 35.983 -0.446 1.00 42.119 36.266 0.893 1.00 42.961 35.454 0.161 1.00 42.683 34.112 0.037 1.00 44.778 40.020 -1.924 1.00 42.134 40.364 -0.559 1.00 44.909 39.792 0.520 1.00 43.440 40.004 1.503 1.00 45.240 37.755 -0.792 1.00 41.741 38.258 1.592 1.00 44.746 35.339 -1.022 1.00 41.232 35.850 1.373 1.00 43.127 33.705 -0.711 1.00 44.056 42.719 -1.043 1.00 44.269 44.135 -0.808 1.00 44.802 44.480 0.566 1.00 44.244 45.320 1.264 1.00 44.428 42.298 -1.882 1.00 44.988 44.513 -1.535 1.00 43.323 44.662 -0.927 1.00 45.890 43.832 0.958 1.00 46.499 44.091 2.253 1.00 47.981 43.713 2.193 1.00 48.363 42.738 1.542 1.00 45.807 43.306 3.383 1.00 46.394 43.659 4.642 1.00 45.954 41.809 3.160 1.00 Page 32

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


2013 2014 2015 2016 2017 2018 2019 2020 2021 2022 2023 2024 2025 2026 2027 2028 2029 2030 2031 2032 2033 2034 2035 2036 2037 2038 2039 2040 2041 2042 2043 2044 2045 2046 2047 2048 2049 2050 2051 2052 2053 2054 2055 2056 2057 2058 2059 2060 2061 2062 2063 2064 2065 2066 2067 2068 2069 2070 2071 2072 2073 2074 2075

H HA HB HG1 1HG2 2HG2 3HG2 N CA C O CB CG CD NE CZ NH1 NH2 H HA 1HB 2HB 1HG 2HG 1HD 2HD HE 1HH1 2HH1 1HH2 2HH2 N CA C O CB CG CD HA 1HB 2HB 1HG 2HG 1HD 2HD N CA C O CB CG CD NE CZ NH1 NH2 H HA 1HB 2HB 1HG 2HG 1HD

THR THR THR THR THR THR THR ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG


164 164 164 164 164 164 164 165 165 165 165 165 165 165 165 165 165 165 165 165 165 165 165 165 165 165 165 165 165 165 165 166 166 166 166 166 166 166 166 166 166 166 166 166 166 167 167 167 167 167 167 167 167 167 167 167 167 167 167 167 167 167 167

PEDF_P1_final_docking_model.txt 46.307 43.144 0.347 1.00 46.437 45.155 2.484 1.00 44.749 43.568 3.399 1.00 45.960 43.168 5.345 1.00 45.458 41.272 3.968 1.00 45.498 41.537 2.208 1.00 47.011 41.547 3.145 1.00 48.814 44.512 2.851 1.00 50.251 44.265 2.895 1.00 50.645 43.783 4.282 1.00 50.077 44.210 5.294 1.00 51.068 45.474 2.463 1.00 50.907 45.865 1.002 1.00 51.664 47.080 0.607 1.00 51.206 48.308 1.238 1.00 51.850 49.489 1.172 1.00 52.997 49.600 0.540 1.00 51.311 50.529 1.783 1.00 48.438 45.315 3.335 1.00 50.512 43.478 2.187 1.00 50.762 46.307 3.094 1.00 52.114 45.236 2.657 1.00 51.253 45.038 0.381 1.00 49.850 46.049 0.807 1.00 52.712 46.948 0.875 1.00 51.580 47.215 -0.470 1.00 50.380 48.475 1.797 1.00 53.406 48.791 0.093 1.00 53.465 50.494 0.502 1.00 50.437 50.422 2.280 1.00 51.773 51.426 1.750 1.00 51.622 42.873 4.346 1.00 52.101 42.322 5.615 1.00 52.840 43.376 6.411 1.00 53.494 44.248 5.846 1.00 53.016 41.162 5.209 1.00 53.494 41.526 3.844 1.00 52.343 42.252 3.199 1.00 51.283 41.985 6.268 1.00 53.858 41.049 5.908 1.00 52.474 40.205 5.199 1.00 54.387 42.166 3.893 1.00 53.770 40.631 3.268 1.00 52.681 43.028 2.498 1.00 51.687 41.573 2.634 1.00 52.724 43.304 7.726 1.00 53.411 44.245 8.586 1.00 54.552 43.476 9.229 1.00 54.369 42.336 9.654 1.00 52.501 44.917 9.604 1.00 53.195 45.907 10.526 1.00 52.296 46.557 11.514 1.00 51.295 47.437 10.931 1.00 51.513 48.721 10.586 1.00 52.680 49.290 10.796 1.00 50.515 49.402 10.051 1.00 52.150 42.585 8.143 1.00 53.811 45.066 7.990 1.00 51.722 45.432 9.044 1.00 52.054 44.123 10.203 1.00 53.975 45.382 11.077 1.00 53.646 46.691 9.915 1.00 51.766 45.785 12.072 1.00 Page 33

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


2076 2077 2078 2079 2080 2081 2082 2083 2084 2085 2086 2087 2088 2089 2090 2091 2092 2093 2094 2095 2096 2097 2098 2099 2100 2101 2102 2103 2104 2105 2106 2107 2108 2109 2110 2111 2112 2113 2114 2115 2116 2117 2118 2119 2120 2121 2122 2123 2124 2125 2126 2127 2128 2129 2130 2131 2132 2133 2134 2135 2136 2137 2138

2HD HE 1HH1 2HH1 1HH2 2HH2 N CA C O CB CG1 CG2 H HA HB 1HG1 2HG1 3HG1 1HG2 2HG2 3HG2 N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB OG1 CG2 H HA HB HG1 1HG2 2HG2 3HG2 N CA C O H 1HA 2HA N

ARG ARG ARG ARG ARG ARG VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU THR THR THR THR THR THR THR THR THR THR THR THR THR THR GLY GLY GLY GLY GLY GLY GLY ASN


167 167 167 167 167 167 168 168 168 168 168 168 168 168 168 168 168 168 168 168 168 168 169 169 169 169 169 169 169 169 169 169 169 169 169 169 169 169 169 169 169 170 170 170 170 170 170 170 170 170 170 170 170 170 170 171 171 171 171 171 171 171 172


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


2139 2140 2141 2142 2143 2144 2145 2146 2147 2148 2149 2150 2151 2152 2153 2154 2155 2156 2157 2158 2159 2160 2161 2162 2163 2164 2165 2166 2167 2168 2169 2170 2171 2172 2173 2174 2175 2176 2177 2178 2179 2180 2181 2182 2183 2184 2185 2186 2187 2188 2189 2190 2191 2192 2193 2194 2195 2196 2197 2198 2199 2200 2201

CA C O CB CG OD1 ND2 H HA 1HB 2HB 1HD2 2HD2 N CA C O CB CG CD HA 1HB 2HB 1HG 2HG 1HD 2HD N CA C O CB CG CD NE CZ NH1 NH2 H HA 1HB 2HB 1HG 2HG 1HD 2HD HE 1HH1 2HH1 1HH2 2HH2 N CA C O CB CG CD1 CD2 H HA 1HB 2HB

ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU


172 172 172 172 172 172 172 172 172 172 172 172 172 173 173 173 173 173 173 173 173 173 173 173 173 173 173 174 174 174 174 174 174 174 174 174 174 174 174 174 174 174 174 174 174 174 174 174 174 174 174 175 175 175 175 175 175 175 175 175 175 175 175


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


2202 2203 2204 2205 2206 2207 2208 2209 2210 2211 2212 2213 2214 2215 2216 2217 2218 2219 2220 2221 2222 2223 2224 2225 2226 2227 2228 2229 2230 2231 2232 2233 2234 2235 2236 2237 2238 2239 2240 2241 2242 2243 2244 2245 2246 2247 2248 2249 2250 2251 2252 2253 2254 2255 2256 2257 2258 2259 2260 2261 2262 2263 2264

HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB CG OD1 OD2 H HA 1HB 2HB N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB CG CD OE1 NE2 H HA 1HB 2HB 1HG 2HG 1HE2 2HE2 N CA C O CB CG CD OE1

LEU LEU LEU LEU LEU LEU LEU ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLU GLU GLU GLU GLU GLU GLU GLU


175 175 175 175 175 175 175 176 176 176 176 176 176 176 176 176 176 176 176 177 177 177 177 177 177 177 177 177 177 177 177 177 177 177 177 177 177 177 178 178 178 178 178 178 178 178 178 178 178 178 178 178 178 178 178 179 179 179 179 179 179 179 179


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


2265 2266 2267 2268 2269 2270 2271 2272 2273 2274 2275 2276 2277 2278 2279 2280 2281 2282 2283 2284 2285 2286 2287 2288 2289 2290 2291 2292 2293 2294 2295 2296 2297 2298 2299 2300 2301 2302 2303 2304 2305 2306 2307 2308 2309 2310 2311 2312 2313 2314 2315 2316 2317 2318 2319 2320 2321 2322 2323 2324 2325 2326 2327

OE2 H HA 1HB 2HB 1HG 2HG N CA C O CB CG1 CG2 CD1 H HA HB 1HG1 2HG1 1HG2 2HG2 3HG2 1HD1 2HD1 3HD1 N CA C O CB CG OD1 ND2 H HA 1HB 2HB 1HD2 2HD2 N CA C O CB CG OD1 ND2 H HA 1HB 2HB 1HD2 2HD2 N CA C O CB CG CD1 CD2 NE1

GLU GLU GLU GLU GLU GLU GLU ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN TRP TRP TRP TRP TRP TRP TRP TRP TRP


179 179 179 179 179 179 179 180 180 180 180 180 180 180 180 180 180 180 180 180 180 180 180 180 180 180 181 181 181 181 181 181 181 181 181 181 181 181 181 181 182 182 182 182 182 182 182 182 182 182 182 182 182 182 183 183 183 183 183 183 183 183 183


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


2328 2329 2330 2331 2332 2333 2334 2335 2336 2337 2338 2339 2340 2341 2342 2343 2344 2345 2346 2347 2348 2349 2350 2351 2352 2353 2354 2355 2356 2357 2358 2359 2360 2361 2362 2363 2364 2365 2366 2367 2368 2369 2370 2371 2372 2373 2374 2375 2376 2377 2378 2379 2380 2381 2382 2383 2384 2385 2386 2387 2388 2389 2390

CE2 CE3 CZ2 CZ3 CH2 H HA 1HB 2HB HD1 HE1 HE3 HZ2 HZ3 HH2 N CA C O CB CG1 CG2 H HA HB 1HG1 2HG1 3HG1 1HG2 2HG2 3HG2 N CA C O CB CG CD OE1 NE2 H HA 1HB 2HB 1HG 2HG 1HE2 2HE2 N CA C O CB H HA 1HB 2HB 3HB N CA C O CB

TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA GLN GLN GLN GLN GLN


183 183 183 183 183 183 183 183 183 183 183 183 183 183 183 184 184 184 184 184 184 184 184 184 184 184 184 184 184 184 184 185 185 185 185 185 185 185 185 185 185 185 185 185 185 185 185 185 186 186 186 186 186 186 186 186 186 186 187 187 187 187 187


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


2391 2392 2393 2394 2395 2396 2397 2398 2399 2400 2401 2402 2403 2404 2405 2406 2407 2408 2409 2410 2411 2412 2413 2414 2415 2416 2417 2418 2419 2420 2421 2422 2423 2424 2425 2426 2427 2428 2429 2430 2431 2432 2433 2434 2435 2436 2437 2438 2439 2440 2441 2442 2443 2444 2445 2446 2447 2448 2449 2450 2451 2452 2453

CG CD OE1 NE2 H HA 1HB 2HB 1HG 2HG 1HE2 2HE2 N CA C O CB CG SD CE H HA 1HB 2HB 1HG 2HG 1HE 2HE 3HE N CA C O CB CG CD CE NZ H HA 1HB 2HB 1HG 2HG 1HD 2HD 1HE 2HE 1HZ 2HZ 3HZ N CA C O H 1HA 2HA N CA C O CB

GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN MET MET MET MET MET MET MET MET MET MET MET MET MET MET MET MET MET LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS GLY GLY GLY GLY GLY GLY GLY LYS LYS LYS LYS LYS


187 187 187 187 187 187 187 187 187 187 187 187 188 188 188 188 188 188 188 188 188 188 188 188 188 188 188 188 188 189 189 189 189 189 189 189 189 189 189 189 189 189 189 189 189 189 189 189 189 189 189 190 190 190 190 190 190 190 191 191 191 191 191


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


2454 2455 2456 2457 2458 2459 2460 2461 2462 2463 2464 2465 2466 2467 2468 2469 2470 2471 2472 2473 2474 2475 2476 2477 2478 2479 2480 2481 2482 2483 2484 2485 2486 2487 2488 2489 2490 2491 2492 2493 2494 2495 2496 2497 2498 2499 2500 2501 2502 2503 2504 2505 2506 2507 2508 2509 2510 2511 2512 2513 2514 2515 2516

CG CD CE NZ H HA 1HB 2HB 1HG 2HG 1HD 2HD 1HE 2HE 1HZ 2HZ 3HZ N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB H HA 1HB 2HB 3HB N CA C O CB CG CD NE CZ NH1 NH2 H HA 1HB 2HB 1HG 2HG

LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG


191 191 191 191 191 191 191 191 191 191 191 191 191 191 191 191 191 192 192 192 192 192 192 192 192 192 192 192 192 192 192 192 192 192 192 192 193 193 193 193 193 193 193 193 193 193 194 194 194 194 194 194 194 194 194 194 194 194 194 194 194 194 194


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


2517 2518 2519 2520 2521 2522 2523 2524 2525 2526 2527 2528 2529 2530 2531 2532 2533 2534 2535 2536 2537 2538 2539 2540 2541 2542 2543 2544 2545 2546 2547 2548 2549 2550 2551 2552 2553 2554 2555 2556 2557 2558 2559 2560 2561 2562 2563 2564 2565 2566 2567 2568 2569 2570 2571 2572 2573 2574 2575 2576 2577 2578 2579

1HD 2HD HE 1HH1 2HH1 1HH2 2HH2 N CA C O CB OG H HA 1HB 2HB HG N CA C O CB OG1 CG2 H HA HB HG1 1HG2 2HG2 3HG2 N CA C O CB CG CD CE NZ H HA 1HB 2HB 1HG 2HG 1HD 2HD 1HE 2HE 1HZ 2HZ 3HZ N CA C O CB CG CD OE1 OE2

ARG ARG ARG ARG ARG ARG ARG SER SER SER SER SER SER SER SER SER SER SER THR THR THR THR THR THR THR THR THR THR THR THR THR THR LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS GLU GLU GLU GLU GLU GLU GLU GLU GLU


194 194 194 194 194 194 194 195 195 195 195 195 195 195 195 195 195 195 196 196 196 196 196 196 196 196 196 196 196 196 196 196 197 197 197 197 197 197 197 197 197 197 197 197 197 197 197 197 197 197 197 197 197 197 198 198 198 198 198 198 198 198 198


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


2580 2581 2582 2583 2584 2585 2586 2587 2588 2589 2590 2591 2592 2593 2594 2595 2596 2597 2598 2599 2600 2601 2602 2603 2604 2605 2606 2607 2608 2609 2610 2611 2612 2613 2614 2615 2616 2617 2618 2619 2620 2621 2622 2623 2624 2625 2626 2627 2628 2629 2630 2631 2632 2633 2634 2635 2636 2637 2638 2639 2640 2641 2642

H HA 1HB 2HB 1HG 2HG N CA C O CB CG1 CG2 CD1 H HA HB 1HG1 2HG1 1HG2 2HG2 3HG2 1HD1 2HD1 3HD1 N CA C O CB CG CD HA 1HB 2HB 1HG 2HG 1HD 2HD N CA C O CB CG OD1 OD2 H HA 1HB 2HB N CA C O CB CG CD OE1 OE2 H HA 1HB

GLU GLU GLU GLU GLU GLU ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU


198 198 198 198 198 198 199 199 199 199 199 199 199 199 199 199 199 199 199 199 199 199 199 199 199 200 200 200 200 200 200 200 200 200 200 200 200 200 200 201 201 201 201 201 201 201 201 201 201 201 201 202 202 202 202 202 202 202 202 202 202 202 202


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


2643 2644 2645 2646 2647 2648 2649 2650 2651 2652 2653 2654 2655 2656 2657 2658 2659 2660 2661 2662 2663 2664 2665 2666 2667 2668 2669 2670 2671 2672 2673 2674 2675 2676 2677 2678 2679 2680 2681 2682 2683 2684 2685 2686 2687 2688 2689 2690 2691 2692 2693 2694 2695 2696 2697 2698 2699 2700 2701 2702 2703 2704 2705

2HB 1HG 2HG N CA C O CB CG1 CG2 CD1 H HA HB 1HG1 2HG1 1HG2 2HG2 3HG2 1HD1 2HD1 3HD1 N CA C O CB OG H HA 1HB 2HB HG N CA C O CB CG1 CG2 CD1 H HA HB 1HG1 2HG1 1HG2 2HG2 3HG2 1HD1 2HD1 3HD1 N CA C O CB CG CD1 CD2 H HA 1HB

GLU GLU GLU ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE SER SER SER SER SER SER SER SER SER SER SER ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU


202 202 202 203 203 203 203 203 203 203 203 203 203 203 203 203 203 203 203 203 203 203 204 204 204 204 204 204 204 204 204 204 204 205 205 205 205 205 205 205 205 205 205 205 205 205 205 205 205 205 205 205 206 206 206 206 206 206 206 206 206 206 206


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


2706 2707 2708 2709 2710 2711 2712 2713 2714 2715 2716 2717 2718 2719 2720 2721 2722 2723 2724 2725 2726 2727 2728 2729 2730 2731 2732 2733 2734 2735 2736 2737 2738 2739 2740 2741 2742 2743 2744 2745 2746 2747 2748 2749 2750 2751 2752 2753 2754 2755 2756 2757 2758 2759 2760 2761 2762 2763 2764 2765 2766 2767 2768

2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O H 1HA 2HA N CA C O CB CG1 CG2 H HA HB

LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU GLY GLY GLY GLY GLY GLY GLY VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL


206 206 206 206 206 206 206 206 207 207 207 207 207 207 207 207 207 207 207 207 207 207 207 207 207 207 207 208 208 208 208 208 208 208 208 208 208 208 208 208 208 208 208 208 208 208 209 209 209 209 209 209 209 210 210 210 210 210 210 210 210 210 210


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


2769 2770 2771 2772 2773 2774 2775 2776 2777 2778 2779 2780 2781 2782 2783 2784 2785 2786 2787 2788 2789 2790 2791 2792 2793 2794 2795 2796 2797 2798 2799 2800 2801 2802 2803 2804 2805 2806 2807 2808 2809 2810 2811 2812 2813 2814 2815 2816 2817 2818 2819 2820 2821 2822 2823 2824 2825 2826 2827 2828 2829 2830 2831

1HG1 2HG1 3HG1 1HG2 2HG2 3HG2 N CA C O CB H HA 1HB 2HB 3HB N CA C O CB CG ND1 CD2 CE1 NE2 H HA 1HB 2HB HD2 HE1 HE2 N CA C O CB CG CD1 CD2 CE1 CE2 CZ H HA 1HB 2HB HD1 HD2 HE1 HE2 HZ N CA C O CB CG CD CE NZ H

VAL VAL VAL VAL VAL VAL ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS


210 210 210 210 210 210 211 211 211 211 211 211 211 211 211 211 212 212 212 212 212 212 212 212 212 212 212 212 212 212 212 212 212 213 213 213 213 213 213 213 213 213 213 213 213 213 213 213 213 213 213 213 213 214 214 214 214 214 214 214 214 214 214


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


2832 2833 2834 2835 2836 2837 2838 2839 2840 2841 2842 2843 2844 2845 2846 2847 2848 2849 2850 2851 2852 2853 2854 2855 2856 2857 2858 2859 2860 2861 2862 2863 2864 2865 2866 2867 2868 2869 2870 2871 2872 2873 2874 2875 2876 2877 2878 2879 2880 2881 2882 2883 2884 2885 2886 2887 2888 2889 2890 2891 2892 2893 2894

HA 1HB 2HB 1HG 2HG 1HD 2HD 1HE 2HE 1HZ 2HZ 3HZ N CA C O H 1HA 2HA N CA C O CB CG CD OE1 NE2 H HA 1HB 2HB 1HG 2HG 1HE2 2HE2 N CA C O CB CG CD1 CD2 NE1 CE2 CE3 CZ2 CZ3 CH2 H HA 1HB 2HB HD1 HE1 HE3 HZ2 HZ3 HH2 N CA C

LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS GLY GLY GLY GLY GLY GLY GLY GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP VAL VAL VAL


214 214 214 214 214 214 214 214 214 214 214 214 215 215 215 215 215 215 215 216 216 216 216 216 216 216 216 216 216 216 216 216 216 216 216 216 217 217 217 217 217 217 217 217 217 217 217 217 217 217 217 217 217 217 217 217 217 217 217 217 218 218 218


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


2895 2896 2897 2898 2899 2900 2901 2902 2903 2904 2905 2906 2907 2908 2909 2910 2911 2912 2913 2914 2915 2916 2917 2918 2919 2920 2921 2922 2923 2924 2925 2926 2927 2928 2929 2930 2931 2932 2933 2934 2935 2936 2937 2938 2939 2940 2941 2942 2943 2944 2945 2946 2947 2948 2949 2950 2951 2952 2953 2954 2955 2956 2957

O CB CG1 CG2 H HA HB 1HG1 2HG1 3HG1 1HG2 2HG2 3HG2 N CA C O CB OG1 CG2 H HA HB HG1 1HG2 2HG2 3HG2 N CA C O CB CG CD CE NZ H HA 1HB 2HB 1HG 2HG 1HD 2HD 1HE 2HE 1HZ 2HZ 3HZ N CA C O CB CG CD1 CD2 CE1 CE2 CZ H HA 1HB

VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL THR THR THR THR THR THR THR THR THR THR THR THR THR THR LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE


218 218 218 218 218 218 218 218 218 218 218 218 218 219 219 219 219 219 219 219 219 219 219 219 219 219 219 220 220 220 220 220 220 220 220 220 220 220 220 220 220 220 220 220 220 220 220 220 220 221 221 221 221 221 221 221 221 221 221 221 221 221 221


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


2958 2959 2960 2961 2962 2963 2964 2965 2966 2967 2968 2969 2970 2971 2972 2973 2974 2975 2976 2977 2978 2979 2980 2981 2982 2983 2984 2985 2986 2987 2988 2989 2990 2991 2992 2993 2994 2995 2996 2997 2998 2999 3000 3001 3002 3003 3004 3005 3006 3007 3008 3009 3010 3011 3012 3013 3014 3015 3016 3017 3018 3019 3020

2HB HD1 HD2 HE1 HE2 HZ N CA C O CB CG OD1 OD2 H HA 1HB 2HB N CA C O CB OG H HA 1HB 2HB HG N CA C O CB CG CD NE CZ NH1 NH2 H HA 1HB 2HB 1HG 2HG 1HD 2HD HE 1HH1 2HH1 1HH2 2HH2 N CA C O CB CG CD CE NZ H

PHE PHE PHE PHE PHE PHE ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP SER SER SER SER SER SER SER SER SER SER SER ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS


221 221 221 221 221 221 222 222 222 222 222 222 222 222 222 222 222 222 223 223 223 223 223 223 223 223 223 223 223 224 224 224 224 224 224 224 224 224 224 224 224 224 224 224 224 224 224 224 224 224 224 224 224 225 225 225 225 225 225 225 225 225 225


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


3021 3022 3023 3024 3025 3026 3027 3028 3029 3030 3031 3032 3033 3034 3035 3036 3037 3038 3039 3040 3041 3042 3043 3044 3045 3046 3047 3048 3049 3050 3051 3052 3053 3054 3055 3056 3057 3058 3059 3060 3061 3062 3063 3064 3065 3066 3067 3068 3069 3070 3071 3072 3073 3074 3075 3076 3077 3078 3079 3080 3081 3082 3083

HA 1HB 2HB 1HG 2HG 1HD 2HD 1HE 2HE 1HZ 2HZ 3HZ N CA C O CB OG1 CG2 H HA HB HG1 1HG2 2HG2 3HG2 N CA C O CB OG H HA 1HB 2HB HG N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB CG CD

LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS THR THR THR THR THR THR THR THR THR THR THR THR THR THR SER SER SER SER SER SER SER SER SER SER SER LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU GLU GLU GLU GLU GLU GLU GLU


225 225 225 225 225 225 225 225 225 225 225 225 226 226 226 226 226 226 226 226 226 226 226 226 226 226 227 227 227 227 227 227 227 227 227 227 227 228 228 228 228 228 228 228 228 228 228 228 228 228 228 228 228 228 228 228 229 229 229 229 229 229 229


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


3084 3085 3086 3087 3088 3089 3090 3091 3092 3093 3094 3095 3096 3097 3098 3099 3100 3101 3102 3103 3104 3105 3106 3107 3108 3109 3110 3111 3112 3113 3114 3115 3116 3117 3118 3119 3120 3121 3122 3123 3124 3125 3126 3127 3128 3129 3130 3131 3132 3133 3134 3135 3136 3137 3138 3139 3140 3141 3142 3143 3144 3145 3146

OE1 OE2 H HA 1HB 2HB 1HG 2HG N CA C O CB CG OD1 OD2 H HA 1HB 2HB N CA C O CB CG CD1 CD2 CE1 CE2 CZ H HA 1HB 2HB HD1 HD2 HE1 HE2 HZ N CA C O CB CG CD1 CD2 CE1 CE2 CZ OH H HA 1HB 2HB HD1 HD2 HE1 HE2 HH N CA

GLU GLU GLU GLU GLU GLU GLU GLU ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR LEU LEU


229 229 229 229 229 229 229 229 230 230 230 230 230 230 230 230 230 230 230 230 231 231 231 231 231 231 231 231 231 231 231 231 231 231 231 231 231 231 231 231 232 232 232 232 232 232 232 232 232 232 232 232 232 232 232 232 232 232 232 232 232 233 233


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


3147 3148 3149 3150 3151 3152 3153 3154 3155 3156 3157 3158 3159 3160 3161 3162 3163 3164 3165 3166 3167 3168 3169 3170 3171 3172 3173 3174 3175 3176 3177 3178 3179 3180 3181 3182 3183 3184 3185 3186 3187 3188 3189 3190 3191 3192 3193 3194 3195 3196 3197 3198 3199 3200 3201 3202 3203 3204 3205 3206 3207 3208 3209

C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB CG OD1 OD2 H HA 1HB 2HB N CA C O CB CG CD OE1 OE2 H HA 1HB 2HB 1HG 2HG N CA C O CB CG CD OE1 OE2 H HA 1HB 2HB 1HG 2HG N CA C O

LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU ARG ARG ARG ARG


233 233 233 233 233 233 233 233 233 233 233 233 233 233 233 233 233 234 234 234 234 234 234 234 234 234 234 234 234 235 235 235 235 235 235 235 235 235 235 235 235 235 235 235 236 236 236 236 236 236 236 236 236 236 236 236 236 236 236 237 237 237 237


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


3210 3211 3212 3213 3214 3215 3216 3217 3218 3219 3220 3221 3222 3223 3224 3225 3226 3227 3228 3229 3230 3231 3232 3233 3234 3235 3236 3237 3238 3239 3240 3241 3242 3243 3244 3245 3246 3247 3248 3249 3250 3251 3252 3253 3254 3255 3256 3257 3258 3259 3260 3261 3262 3263 3264 3265 3266 3267 3268 3269 3270 3271 3272

CB CG CD NE CZ NH1 NH2 H HA 1HB 2HB 1HG 2HG 1HD 2HD HE 1HH1 2HH1 1HH2 2HH2 N CA C O CB OG1 CG2 H HA HB HG1 1HG2 2HG2 3HG2 N CA C O CB CG1 CG2 H HA HB 1HG1 2HG1 3HG1 1HG2 2HG2 3HG2 N CA C O CB CG CD NE CZ NH1 NH2 H HA

ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG THR THR THR THR THR THR THR THR THR THR THR THR THR THR VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG


237 237 237 237 237 237 237 237 237 237 237 237 237 237 237 237 237 237 237 237 238 238 238 238 238 238 238 238 238 238 238 238 238 238 239 239 239 239 239 239 239 239 239 239 239 239 239 239 239 239 240 240 240 240 240 240 240 240 240 240 240 240 240


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


3273 3274 3275 3276 3277 3278 3279 3280 3281 3282 3283 3284 3285 3286 3287 3288 3289 3290 3291 3292 3293 3294 3295 3296 3297 3298 3299 3300 3301 3302 3303 3304 3305 3306 3307 3308 3309 3310 3311 3312 3313 3314 3315 3316 3317 3318 3319 3320 3321 3322 3323 3324 3325 3326 3327 3328 3329 3330 3331 3332 3333 3334 3335

1HB 2HB 1HG 2HG 1HD 2HD HE 1HH1 2HH1 1HH2 2HH2 N CA C O CB CG1 CG2 H HA HB 1HG1 2HG1 3HG1 1HG2 2HG2 3HG2 N CA C O CB CG CD HA 1HB 2HB 1HG 2HG 1HD 2HD N CA C O CB CG SD CE H HA 1HB 2HB 1HG 2HG 1HE 2HE 3HE N CA C O CB

ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO MET MET MET MET MET MET MET MET MET MET MET MET MET MET MET MET MET MET MET MET MET MET


240 240 240 240 240 240 240 240 240 240 240 241 241 241 241 241 241 241 241 241 241 241 241 241 241 241 241 242 242 242 242 242 242 242 242 242 242 242 242 242 242 243 243 243 243 243 243 243 243 243 243 243 243 243 243 243 243 243 244 244 244 244 244


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


3336 3337 3338 3339 3340 3341 3342 3343 3344 3345 3346 3347 3348 3349 3350 3351 3352 3353 3354 3355 3356 3357 3358 3359 3360 3361 3362 3363 3364 3365 3366 3367 3368 3369 3370 3371 3372 3373 3374 3375 3376 3377 3378 3379 3380 3381 3382 3383 3384 3385 3386 3387 3388 3389 3390 3391 3392 3393 3394 3395 3396 3397 3398

CG SD CE H HA 1HB 2HB 1HG 2HG 1HE 2HE 3HE N CA C O CB OG H HA 1HB 2HB HG N CA C O CB CG OD1 OD2 H HA 1HB 2HB N CA C O CB CG CD HA 1HB 2HB 1HG 2HG 1HD 2HD N CA C O CB CG CD CE NZ H HA 1HB 2HB 1HG

MET MET MET MET MET MET MET MET MET MET MET MET SER SER SER SER SER SER SER SER SER SER SER ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS


244 244 244 244 244 244 244 244 244 244 244 244 245 245 245 245 245 245 245 245 245 245 245 246 246 246 246 246 246 246 246 246 246 246 246 247 247 247 247 247 247 247 247 247 247 247 247 247 247 248 248 248 248 248 248 248 248 248 248 248 248 248 248

PEDF_P1_final_docking_model.txt 14.493 48.492 20.498 1.00 15.456 48.639 18.980 1.00 16.385 47.109 19.020 1.00 13.651 46.085 22.352 1.00 12.161 48.580 21.911 1.00 13.500 46.646 20.036 1.00 12.617 48.105 19.526 1.00 14.200 49.487 20.834 1.00 15.103 48.015 21.264 1.00 17.031 47.052 18.143 1.00 16.996 47.078 19.924 1.00 15.696 46.265 19.019 1.00 10.078 47.545 20.723 1.00 8.782 46.947 20.482 1.00 8.126 47.357 19.177 1.00 8.353 48.451 18.653 1.00 7.861 47.280 21.640 1.00 8.339 46.772 22.855 1.00 10.233 48.507 20.458 1.00 8.796 45.857 20.510 1.00 7.777 48.363 21.717 1.00 6.879 46.854 21.439 1.00 9.022 47.353 23.198 1.00 7.319 46.444 18.660 1.00 6.561 46.660 17.449 1.00 5.474 45.610 17.511 1.00 5.711 44.446 17.194 1.00 7.418 46.524 16.188 1.00 6.686 46.847 14.892 1.00 5.491 47.020 14.935 1.00 7.342 47.073 13.904 1.00 7.236 45.560 19.141 1.00 6.138 47.665 17.452 1.00 8.347 47.091 16.231 1.00 7.640 45.457 16.222 1.00 4.265 46.009 17.939 1.00 3.112 45.112 18.064 1.00 2.530 44.640 16.735 1.00 1.757 43.681 16.696 1.00 2.098 45.948 18.851 1.00 2.465 47.360 18.547 1.00 3.965 47.364 18.418 1.00 3.360 44.169 18.572 1.00 1.066 45.729 18.539 1.00 2.159 45.745 19.930 1.00 1.987 47.704 17.617 1.00 2.135 48.039 19.348 1.00 4.319 48.119 17.700 1.00 4.464 47.573 19.375 1.00 2.901 45.308 15.648 1.00 2.405 44.928 14.331 1.00 3.573 44.838 13.353 1.00 3.579 45.487 12.306 1.00 1.361 45.927 13.831 1.00 0.087 45.976 14.664 1.00 -0.933 46.930 14.060 1.00 -2.167 47.052 14.942 1.00 -3.174 47.984 14.364 1.00 3.535 46.090 15.728 1.00 1.941 43.942 14.382 1.00 1.833 46.910 13.832 1.00 1.113 45.646 12.807 1.00 -0.336 44.972 14.710 1.00 Page 54

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


3399 3400 3401 3402 3403 3404 3405 3406 3407 3408 3409 3410 3411 3412 3413 3414 3415 3416 3417 3418 3419 3420 3421 3422 3423 3424 3425 3426 3427 3428 3429 3430 3431 3432 3433 3434 3435 3436 3437 3438 3439 3440 3441 3442 3443 3444 3445 3446 3447 3448 3449 3450 3451 3452 3453 3454 3455 3456 3457 3458 3459 3460 3461

2HG 1HD 2HD 1HE 2HE 1HZ 2HZ 3HZ N CA C O CB H HA 1HB 2HB 3HB N CA C O CB CG1 CG2 H HA HB 1HG1 2HG1 3HG1 1HG2 2HG2 3HG2 N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB CG CD NE CZ NH1

LYS LYS LYS LYS LYS LYS LYS LYS ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG


248 248 248 248 248 248 248 248 249 249 249 249 249 249 249 249 249 249 250 250 250 250 250 250 250 250 250 250 250 250 250 250 250 250 251 251 251 251 251 251 251 251 251 251 251 251 251 251 251 251 251 251 251 252 252 252 252 252 252 252 252 252 252

PEDF_P1_final_docking_model.txt 0.344 46.308 15.670 1.00 -0.468 47.910 13.947 1.00 -1.224 46.552 13.080 1.00 -2.609 46.063 15.051 1.00 -1.853 47.419 15.919 1.00 -3.974 48.037 14.978 1.00 -2.765 48.902 14.263 1.00 -3.465 47.644 13.459 1.00 4.563 44.024 13.714 1.00 5.761 43.817 12.903 1.00 5.542 42.784 11.805 1.00 4.847 41.786 11.997 1.00 6.933 43.369 13.776 1.00 4.472 43.532 14.591 1.00 6.013 44.754 12.407 1.00 7.814 43.221 13.152 1.00 7.143 44.133 14.524 1.00 6.680 42.434 14.273 1.00 6.136 43.029 10.646 1.00 6.011 42.103 9.539 1.00 7.375 41.474 9.289 1.00 8.305 42.133 8.821 1.00 5.506 42.791 8.257 1.00 5.415 41.790 7.115 1.00 4.154 43.444 8.500 1.00 6.684 43.869 10.525 1.00 5.328 41.287 9.779 1.00 6.198 43.589 7.987 1.00 5.057 42.294 6.217 1.00 6.401 41.366 6.924 1.00 4.722 40.993 7.384 1.00 3.812 43.926 7.585 1.00 3.433 42.684 8.801 1.00 4.246 44.190 9.290 1.00 7.479 40.193 9.628 1.00 8.714 39.435 9.484 1.00 8.433 38.039 8.919 1.00 7.278 37.632 8.798 1.00 9.434 39.336 10.835 1.00 8.593 38.765 11.983 1.00 8.543 37.246 11.888 1.00 9.185 39.203 13.314 1.00 6.660 39.734 10.001 1.00 9.368 39.935 8.770 1.00 10.222 38.635 10.564 1.00 9.879 40.288 11.125 1.00 7.596 39.200 11.902 1.00 7.943 36.850 12.708 1.00 8.095 36.955 10.938 1.00 9.553 36.844 11.952 1.00 8.585 38.797 14.130 1.00 10.208 38.835 13.397 1.00 9.185 40.292 13.372 1.00 9.485 37.315 8.551 1.00 9.315 35.966 8.025 1.00 9.532 34.982 9.183 1.00 10.576 34.966 9.823 1.00 10.214 35.673 6.833 1.00 9.790 36.338 5.533 1.00 10.630 35.983 4.361 1.00 10.532 34.592 3.949 1.00 11.400 33.975 3.123 1.00 12.407 34.630 2.588 1.00 Page 55

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


3462 3463 3464 3465 3466 3467 3468 3469 3470 3471 3472 3473 3474 3475 3476 3477 3478 3479 3480 3481 3482 3483 3484 3485 3486 3487 3488 3489 3490 3491 3492 3493 3494 3495 3496 3497 3498 3499 3500 3501 3502 3503 3504 3505 3506 3507 3508 3509 3510 3511 3512 3513 3514 3515 3516 3517 3518 3519 3520 3521 3522 3523 3524

NH2 H HA 1HB 2HB 1HG 2HG 1HD 2HD HE 1HH1 2HH1 1HH2 2HH2 N CA C O CB CG CD1 CD2 CE1 CE2 CZ OH H HA 1HB 2HB HD1 HD2 HE1 HE2 HH N CA C O H 1HA 2HA N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA

ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR GLY GLY GLY GLY GLY GLY GLY LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU ASP ASP


252 252 252 252 252 252 252 252 252 252 252 252 252 252 253 253 253 253 253 253 253 253 253 253 253 253 253 253 253 253 253 253 253 253 253 254 254 254 254 254 254 254 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 256 256


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


3525 3526 3527 3528 3529 3530 3531 3532 3533 3534 3535 3536 3537 3538 3539 3540 3541 3542 3543 3544 3545 3546 3547 3548 3549 3550 3551 3552 3553 3554 3555 3556 3557 3558 3559 3560 3561 3562 3563 3564 3565 3566 3567 3568 3569 3570 3571 3572 3573 3574 3575 3576 3577 3578 3579 3580 3581 3582 3583 3584 3585 3586 3587

C O CB CG OD1 OD2 H HA 1HB 2HB N CA C O CB OG H HA 1HB 2HB HG N CA C O CB CG OD1 OD2 H HA 1HB 2HB N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB OG H HA 1HB 2HB HG

ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP SER SER SER SER SER SER SER SER SER SER SER ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU SER SER SER SER SER SER SER SER SER SER SER


256 256 256 256 256 256 256 256 256 256 257 257 257 257 257 257 257 257 257 257 257 258 258 258 258 258 258 258 258 258 258 258 258 259 259 259 259 259 259 259 259 259 259 259 259 259 259 259 259 259 259 259 260 260 260 260 260 260 260 260 260 260 260


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


3588 3589 3590 3591 3592 3593 3594 3595 3596 3597 3598 3599 3600 3601 3602 3603 3604 3605 3606 3607 3608 3609 3610 3611 3612 3613 3614 3615 3616 3617 3618 3619 3620 3621 3622 3623 3624 3625 3626 3627 3628 3629 3630 3631 3632 3633 3634 3635 3636 3637 3638 3639 3640 3641 3642 3643 3644 3645 3646 3647 3648 3649 3650

N CA C O CB SG H HA 1HB 2HB HG N CA C O CB CG CD CE NZ H HA 1HB 2HB 1HG 2HG 1HD 2HD 1HE 2HE 1HZ 2HZ 3HZ N CA C O CB CG1 CG2 CD1 H HA HB 1HG1 2HG1 1HG2 2HG2 3HG2 1HD1 2HD1 3HD1 N CA C O CB H HA 1HB 2HB 3HB N

CYS CYS CYS CYS CYS CYS CYS CYS CYS CYS CYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA GLN


261 261 261 261 261 261 261 261 261 261 261 262 262 262 262 262 262 262 262 262 262 262 262 262 262 262 262 262 262 262 262 262 262 263 263 263 263 263 263 263 263 263 263 263 263 263 263 263 263 263 263 263 264 264 264 264 264 264 264 264 264 264 265


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


3651 3652 3653 3654 3655 3656 3657 3658 3659 3660 3661 3662 3663 3664 3665 3666 3667 3668 3669 3670 3671 3672 3673 3674 3675 3676 3677 3678 3679 3680 3681 3682 3683 3684 3685 3686 3687 3688 3689 3690 3691 3692 3693 3694 3695 3696 3697 3698 3699 3700 3701 3702 3703 3704 3705 3706 3707 3708 3709 3710 3711 3712 3713

CA C O CB CG CD OE1 NE2 H HA 1HB 2HB 1HG 2HG 1HE2 2HE2 N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB CG CD HA 1HB 2HB 1HG 2HG 1HD 2HD N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1

GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU


265 265 265 265 265 265 265 265 265 265 265 265 265 265 265 265 266 266 266 266 266 266 266 266 266 266 266 266 266 266 266 266 266 266 266 267 267 267 267 267 267 267 267 267 267 267 267 267 267 268 268 268 268 268 268 268 268 268 268 268 268 268 268


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


3714 3715 3716 3717 3718 3719 3720 3721 3722 3723 3724 3725 3726 3727 3728 3729 3730 3731 3732 3733 3734 3735 3736 3737 3738 3739 3740 3741 3742 3743 3744 3745 3746 3747 3748 3749 3750 3751 3752 3753 3754 3755 3756 3757 3758 3759 3760 3761 3762 3763 3764 3765 3766 3767 3768 3769 3770 3771 3772 3773 3774 3775 3776

2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB OG1 CG2 H HA HB HG1 1HG2 2HG2 3HG2 N CA C O H 1HA 2HA N CA C O CB OG H HA 1HB 2HB HG N CA C O CB CG SD CE H HA 1HB 2HB 1HG 2HG 1HE 2HE 3HE N CA C O CB OG H HA 1HB

LEU LEU LEU LEU LEU THR THR THR THR THR THR THR THR THR THR THR THR THR THR GLY GLY GLY GLY GLY GLY GLY SER SER SER SER SER SER SER SER SER SER SER MET MET MET MET MET MET MET MET MET MET MET MET MET MET MET MET MET SER SER SER SER SER SER SER SER SER


268 268 268 268 268 269 269 269 269 269 269 269 269 269 269 269 269 269 269 270 270 270 270 270 270 270 271 271 271 271 271 271 271 271 271 271 271 272 272 272 272 272 272 272 272 272 272 272 272 272 272 272 272 272 273 273 273 273 273 273 273 273 273

PEDF_P1_final_docking_model.txt 18.169 43.109 9.217 1.00 19.897 42.688 9.256 1.00 20.753 44.997 11.107 1.00 21.612 44.535 9.617 1.00 21.044 46.207 9.835 1.00 18.760 47.306 5.832 1.00 19.017 48.036 4.605 1.00 20.357 47.571 4.027 1.00 21.270 47.195 4.766 1.00 19.045 49.558 4.835 1.00 20.070 49.883 5.782 1.00 17.702 50.043 5.360 1.00 18.795 47.798 6.714 1.00 18.241 47.812 3.873 1.00 19.265 50.055 3.890 1.00 20.302 50.811 5.697 1.00 17.741 51.121 5.515 1.00 16.922 49.808 4.636 1.00 17.482 49.548 6.304 1.00 20.483 47.602 2.709 1.00 21.732 47.183 2.099 1.00 21.703 45.708 1.777 1.00 22.739 45.055 1.700 1.00 19.726 47.912 2.117 1.00 21.887 47.748 1.180 1.00 22.550 47.384 2.789 1.00 20.494 45.189 1.606 1.00 20.269 43.796 1.277 1.00 20.872 42.820 2.291 1.00 21.695 41.971 1.943 1.00 20.823 43.516 -0.106 1.00 20.185 44.279 -1.093 1.00 19.700 45.804 1.713 1.00 19.215 43.545 1.153 1.00 21.887 43.750 -0.109 1.00 20.684 42.459 -0.331 1.00 20.564 44.073 -1.951 1.00 20.463 42.954 3.550 1.00 20.930 42.074 4.621 1.00 19.765 41.666 5.514 1.00 18.698 42.283 5.481 1.00 22.017 42.762 5.445 1.00 23.297 43.058 4.676 1.00 24.554 43.853 5.697 1.00 23.754 45.412 6.064 1.00 19.807 43.690 3.769 1.00 21.345 41.160 4.197 1.00 21.592 43.694 5.815 1.00 22.242 42.105 6.285 1.00 23.690 42.116 4.294 1.00 23.048 43.712 3.841 1.00 24.409 46.018 6.691 1.00 23.547 45.943 5.134 1.00 22.818 45.225 6.592 1.00 19.974 40.621 6.309 1.00 18.948 40.139 7.224 1.00 19.560 39.527 8.473 1.00 20.725 39.137 8.498 1.00 18.059 39.129 6.525 1.00 18.756 37.961 6.185 1.00 20.867 40.149 6.278 1.00 18.225 40.905 7.506 1.00 17.236 38.870 7.190 1.00 Page 60

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


3777 3778 3779 3780 3781 3782 3783 3784 3785 3786 3787 3788 3789 3790 3791 3792 3793 3794 3795 3796 3797 3798 3799 3800 3801 3802 3803 3804 3805 3806 3807 3808 3809 3810 3811 3812 3813 3814 3815 3816 3817 3818 3819 3820 3821 3822 3823 3824 3825 3826 3827 3828 3829 3830 3831 3832 3833 3834 3835 3836 3837 3838 3839

2HB HG N CA C O CB CG1 CG2 CD1 H HA HB 1HG1 2HG1 1HG2 2HG2 3HG2 1HD1 2HD1 3HD1 N CA C O CB CG1 CG2 CD1 H HA HB 1HG1 2HG1 1HG2 2HG2 3HG2 1HD1 2HD1 3HD1 N CA C O CB CG CD1 CD2 CE1 CE2 CZ H HA 1HB 2HB HD1 HD2 HE1 HE2 HZ N CA C

SER SER ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE


273 273 274 274 274 274 274 274 274 274 274 274 274 274 274 274 274 274 274 274 274 275 275 275 275 275 275 275 275 275 275 275 275 275 275 275 275 275 275 275 276 276 276 276 276 276 276 276 276 276 276 276 276 276 276 276 276 276 276 276 277 277 277


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


3840 3841 3842 3843 3844 3845 3846 3847 3848 3849 3850 3851 3852 3853 3854 3855 3856 3857 3858 3859 3860 3861 3862 3863 3864 3865 3866 3867 3868 3869 3870 3871 3872 3873 3874 3875 3876 3877 3878 3879 3880 3881 3882 3883 3884 3885 3886 3887 3888 3889 3890 3891 3892 3893 3894 3895 3896 3897 3898 3899 3900 3901 3902

O CB CG CD1 CD2 CE1 CE2 CZ H HA 1HB 2HB HD1 HD2 HE1 HE2 HZ N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB CG CD HA 1HB 2HB 1HG 2HG 1HD 2HD N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG

PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU


277 277 277 277 277 277 277 277 277 277 277 277 277 277 277 277 277 278 278 278 278 278 278 278 278 278 278 278 278 278 278 278 278 278 278 278 279 279 279 279 279 279 279 279 279 279 279 279 279 279 280 280 280 280 280 280 280 280 280 280 280 280 280


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


3903 3904 3905 3906 3907 3908 3909 3910 3911 3912 3913 3914 3915 3916 3917 3918 3919 3920 3921 3922 3923 3924 3925 3926 3927 3928 3929 3930 3931 3932 3933 3934 3935 3936 3937 3938 3939 3940 3941 3942 3943 3944 3945 3946 3947 3948 3949 3950 3951 3952 3953 3954 3955 3956 3957 3958 3959 3960 3961 3962 3963 3964 3965

1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB CG CD CE NZ H HA 1HB 2HB 1HG 2HG 1HD 2HD 1HE 2HE 1HZ 2HZ 3HZ N CA C O CB CG1 CG2 H HA HB 1HG1 2HG1 3HG1 1HG2 2HG2 3HG2 N CA C O CB OG1 CG2 H HA HB HG1 1HG2 2HG2 3HG2 N CA C O CB

LEU LEU LEU LEU LEU LEU LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL THR THR THR THR THR THR THR THR THR THR THR THR THR THR GLN GLN GLN GLN GLN


280 280 280 280 280 280 281 281 281 281 281 281 281 281 281 281 281 281 281 281 281 281 281 281 281 281 281 281 282 282 282 282 282 282 282 282 282 282 282 282 282 282 282 282 283 283 283 283 283 283 283 283 283 283 283 283 283 283 284 284 284 284 284


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


3966 3967 3968 3969 3970 3971 3972 3973 3974 3975 3976 3977 3978 3979 3980 3981 3982 3983 3984 3985 3986 3987 3988 3989 3990 3991 3992 3993 3994 3995 3996 3997 3998 3999 4000 4001 4002 4003 4004 4005 4006 4007 4008 4009 4010 4011 4012 4013 4014 4015 4016 4017 4018 4019 4020 4021 4022 4023 4024 4025 4026 4027 4028

CG CD OE1 NE2 H HA 1HB 2HB 1HG 2HG 1HE2 2HE2 N CA C O CB CG OD1 ND2 H HA 1HB 2HB 1HD2 2HD2 N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB OG1 CG2 H HA HB HG1 1HG2 2HG2 3HG2 N CA C O

GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU THR THR THR THR THR THR THR THR THR THR THR THR THR THR LEU LEU LEU LEU


284 284 284 284 284 284 284 284 284 284 284 284 285 285 285 285 285 285 285 285 285 285 285 285 285 285 286 286 286 286 286 286 286 286 286 286 286 286 286 286 286 286 286 286 286 287 287 287 287 287 287 287 287 287 287 287 287 287 287 288 288 288 288


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


4029 4030 4031 4032 4033 4034 4035 4036 4037 4038 4039 4040 4041 4042 4043 4044 4045 4046 4047 4048 4049 4050 4051 4052 4053 4054 4055 4056 4057 4058 4059 4060 4061 4062 4063 4064 4065 4066 4067 4068 4069 4070 4071 4072 4073 4074 4075 4076 4077 4078 4079 4080 4081 4082 4083 4084 4085 4086 4087 4088 4089 4090 4091

CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB CG1 CG2 CD1 H HA HB 1HG1 2HG1 1HG2 2HG2 3HG2 1HD1 2HD1 3HD1 N CA C O CB CG CD OE1 OE2 H HA 1HB 2HB 1HG 2HG N CA C O CB CG CD OE1 OE2 H HA 1HB 2HB 1HG

LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU


288 288 288 288 288 288 288 288 288 288 288 288 288 288 288 289 289 289 289 289 289 289 289 289 289 289 289 289 289 289 289 289 289 289 290 290 290 290 290 290 290 290 290 290 290 290 290 290 290 291 291 291 291 291 291 291 291 291 291 291 291 291 291


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


4092 4093 4094 4095 4096 4097 4098 4099 4100 4101 4102 4103 4104 4105 4106 4107 4108 4109 4110 4111 4112 4113 4114 4115 4116 4117 4118 4119 4120 4121 4122 4123 4124 4125 4126 4127 4128 4129 4130 4131 4132 4133 4134 4135 4136 4137 4138 4139 4140 4141 4142 4143 4144 4145 4146 4147 4148 4149 4150 4151 4152 4153 4154

2HG N CA C O CB OG H HA 1HB 2HB HG N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB OG1 CG2 H HA HB HG1 1HG2 2HG2 3HG2 N CA C O CB OG H HA 1HB 2HB HG N CA C O CB CG CD

GLU SER SER SER SER SER SER SER SER SER SER SER LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU THR THR THR THR THR THR THR THR THR THR THR THR THR THR SER SER SER SER SER SER SER SER SER SER SER GLU GLU GLU GLU GLU GLU GLU


291 292 292 292 292 292 292 292 292 292 292 292 293 293 293 293 293 293 293 293 293 293 293 293 293 293 293 293 293 293 293 294 294 294 294 294 294 294 294 294 294 294 294 294 294 295 295 295 295 295 295 295 295 295 295 295 296 296 296 296 296 296 296


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


4155 4156 4157 4158 4159 4160 4161 4162 4163 4164 4165 4166 4167 4168 4169 4170 4171 4172 4173 4174 4175 4176 4177 4178 4179 4180 4181 4182 4183 4184 4185 4186 4187 4188 4189 4190 4191 4192 4193 4194 4195 4196 4197 4198 4199 4200 4201 4202 4203 4204 4205 4206 4207 4208 4209 4210 4211 4212 4213 4214 4215 4216 4217

OE1 OE2 H HA 1HB 2HB 1HG 2HG N CA C O CB CG CD1 CD2 CE1 CE2 CZ H HA 1HB 2HB HD1 HD2 HE1 HE2 HZ N CA C O CB CG1 CG2 CD1 H HA HB 1HG1 2HG1 1HG2 2HG2 3HG2 1HD1 2HD1 3HD1 N CA C O CB CG ND1 CD2 CE1 NE2 H HA 1HB 2HB HD1 HD2

GLU GLU GLU GLU GLU GLU GLU GLU PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS


296 296 296 296 296 296 296 296 297 297 297 297 297 297 297 297 297 297 297 297 297 297 297 297 297 297 297 297 298 298 298 298 298 298 298 298 298 298 298 298 298 298 298 298 298 298 298 299 299 299 299 299 299 299 299 299 299 299 299 299 299 299 299

PEDF_P1_final_docking_model.txt 24.564 21.231 2.168 1.00 25.710 21.914 0.518 1.00 25.053 25.059 4.306 1.00 22.919 25.582 2.436 1.00 23.923 23.063 3.764 1.00 22.637 23.092 2.533 1.00 24.282 24.014 0.856 1.00 25.439 24.081 2.205 1.00 22.034 24.633 5.445 1.00 20.867 24.589 6.304 1.00 20.202 25.955 6.330 1.00 18.979 26.048 6.235 1.00 21.293 24.164 7.707 1.00 20.207 24.351 8.739 1.00 20.333 25.357 9.691 1.00 19.101 23.510 8.759 1.00 19.369 25.506 10.680 1.00 18.137 23.657 9.750 1.00 18.278 24.646 10.718 1.00 22.941 24.421 5.836 1.00 20.141 23.878 5.906 1.00 21.560 23.108 7.714 1.00 22.147 24.756 8.034 1.00 21.194 26.024 9.650 1.00 18.989 22.734 8.001 1.00 19.470 26.296 11.423 1.00 17.270 22.996 9.769 1.00 17.533 24.744 11.506 1.00 21.001 27.015 6.442 1.00 20.450 28.365 6.484 1.00 19.729 28.750 5.185 1.00 18.781 29.530 5.218 1.00 21.528 29.373 6.898 1.00 21.962 29.087 8.336 1.00 21.046 30.816 6.790 1.00 20.808 29.240 9.326 1.00 22.002 26.890 6.499 1.00 19.672 28.439 7.242 1.00 22.397 29.249 6.252 1.00 22.350 28.069 8.361 1.00 22.763 29.786 8.578 1.00 21.846 31.491 7.095 1.00 20.765 31.029 5.760 1.00 20.182 30.961 7.439 1.00 21.162 29.028 10.335 1.00 20.424 30.260 9.284 1.00 20.012 28.543 9.069 1.00 20.167 28.208 4.049 1.00 19.528 28.509 2.759 1.00 18.109 27.923 2.689 1.00 17.211 28.525 2.096 1.00 20.373 27.973 1.599 1.00 19.694 28.063 0.268 1.00 19.430 29.266 -0.352 1.00 19.224 27.101 -0.560 1.00 18.827 29.039 -1.507 1.00 18.690 27.734 -1.656 1.00 20.955 27.576 4.072 1.00 19.423 29.588 2.645 1.00 21.300 28.541 1.514 1.00 20.606 26.921 1.760 1.00 19.718 30.170 -0.036 1.00 19.206 26.013 -0.497 1.00 Page 67

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


4218 4219 4220 4221 4222 4223 4224 4225 4226 4227 4228 4229 4230 4231 4232 4233 4234 4235 4236 4237 4238 4239 4240 4241 4242 4243 4244 4245 4246 4247 4248 4249 4250 4251 4252 4253 4254 4255 4256 4257 4258 4259 4260 4261 4262 4263 4264 4265 4266 4267 4268 4269 4270 4271 4272 4273 4274 4275 4276 4277 4278 4279 4280

HE1 N CA C O CB CG OD1 OD2 H HA 1HB 2HB N CA C O CB CG1 CG2 CD1 H HA HB 1HG1 2HG1 1HG2 2HG2 3HG2 1HD1 2HD1 3HD1 N CA C O CB CG OD1 OD2 H HA 1HB 2HB N CA C O CB CG CD NE CZ NH1 NH2 H HA 1HB 2HB 1HG 2HG 1HD 2HD

HIS ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG


299 300 300 300 300 300 300 300 300 300 300 300 300 301 301 301 301 301 301 301 301 301 301 301 301 301 301 301 301 301 301 301 302 302 302 302 302 302 302 302 302 302 302 302 303 303 303 303 303 303 303 303 303 303 303 303 303 303 303 303 303 303 303

PEDF_P1_final_docking_model.txt 18.534 29.867 -2.152 1.00 17.901 26.757 3.295 1.00 16.584 26.135 3.287 1.00 15.660 26.898 4.219 1.00 14.524 27.210 3.873 1.00 16.667 24.664 3.702 1.00 17.293 23.750 2.656 1.00 17.440 24.176 1.535 1.00 17.761 22.698 3.020 1.00 18.662 26.292 3.769 1.00 16.158 26.185 2.284 1.00 17.162 24.510 4.661 1.00 15.606 24.432 3.798 1.00 16.153 27.201 5.411 1.00 15.363 27.944 6.374 1.00 14.969 29.277 5.752 1.00 13.851 29.740 5.934 1.00 16.188 28.159 7.644 1.00 16.454 26.819 8.325 1.00 15.535 29.161 8.594 1.00 15.162 26.120 8.753 1.00 17.089 26.915 5.659 1.00 14.433 27.421 6.593 1.00 17.174 28.533 7.368 1.00 17.002 26.198 7.617 1.00 17.081 27.017 9.195 1.00 16.157 29.280 9.481 1.00 15.430 30.122 8.093 1.00 14.551 28.796 8.888 1.00 15.403 25.171 9.233 1.00 14.620 26.754 9.455 1.00 14.541 25.935 7.878 1.00 15.879 29.879 4.996 1.00 15.592 31.159 4.373 1.00 14.391 31.056 3.440 1.00 13.540 31.944 3.407 1.00 16.816 31.668 3.607 1.00 16.653 33.061 3.016 1.00 16.467 33.987 3.770 1.00 16.871 33.214 1.837 1.00 16.782 29.451 4.847 1.00 15.330 31.891 5.137 1.00 17.739 31.624 4.185 1.00 16.855 30.934 2.801 1.00 14.311 29.965 2.690 1.00 13.214 29.798 1.750 1.00 11.938 29.206 2.324 1.00 10.855 29.521 1.845 1.00 13.663 29.001 0.534 1.00 14.746 29.665 -0.301 1.00 15.168 28.882 -1.491 1.00 14.126 28.693 -2.488 1.00 14.236 27.894 -3.567 1.00 15.349 27.239 -3.815 1.00 13.202 27.804 -4.385 1.00 15.010 29.240 2.764 1.00 12.899 30.772 1.373 1.00 14.028 28.042 0.899 1.00 12.780 28.842 -0.085 1.00 14.375 30.630 -0.648 1.00 15.623 29.819 0.328 1.00 15.995 29.397 -1.979 1.00 15.494 27.895 -1.168 1.00 Page 68

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


4281 4282 4283 4284 4285 4286 4287 4288 4289 4290 4291 4292 4293 4294 4295 4296 4297 4298 4299 4300 4301 4302 4303 4304 4305 4306 4307 4308 4309 4310 4311 4312 4313 4314 4315 4316 4317 4318 4319 4320 4321 4322 4323 4324 4325 4326 4327 4328 4329 4330 4331 4332 4333 4334 4335 4336 4337 4338 4339 4340 4341 4342 4343

HE 1HH1 2HH1 1HH2 2HH2 N CA C O CB CG CD OE1 OE2 H HA 1HB 2HB 1HG 2HG N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB CG CD CE NZ H HA 1HB 2HB 1HG 2HG 1HD 2HD 1HE 2HE 1HZ 2HZ 3HZ N CA

ARG ARG ARG ARG ARG GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS THR THR


303 303 303 303 303 304 304 304 304 304 304 304 304 304 304 304 304 304 304 304 305 305 305 305 305 305 305 305 305 305 305 305 305 305 305 305 305 305 305 306 306 306 306 306 306 306 306 306 306 306 306 306 306 306 306 306 306 306 306 306 306 307 307

PEDF_P1_final_docking_model.txt 13.201 29.100 -2.539 1.00 16.136 27.333 -3.189 1.00 15.411 26.646 -4.629 1.00 12.360 28.328 -4.190 1.00 13.258 27.213 -5.202 1.00 12.058 28.353 3.338 1.00 10.890 27.722 3.946 1.00 10.100 28.706 4.839 1.00 8.953 28.430 5.217 1.00 11.321 26.499 4.759 1.00 11.858 25.346 3.924 1.00 12.333 24.216 4.794 1.00 12.258 24.343 5.993 1.00 12.665 23.183 4.263 1.00 12.977 28.136 3.697 1.00 10.196 27.402 3.168 1.00 12.092 26.834 5.453 1.00 10.447 26.165 5.320 1.00 11.141 24.966 3.197 1.00 12.708 25.783 3.401 1.00 10.694 29.862 5.150 1.00 10.050 30.873 6.002 1.00 8.843 31.549 5.352 1.00 8.831 31.793 4.152 1.00 11.091 31.881 6.496 1.00 11.437 31.736 7.981 1.00 11.663 30.284 8.405 1.00 12.617 32.628 8.367 1.00 11.618 30.043 4.784 1.00 9.655 30.397 6.899 1.00 11.935 31.582 5.876 1.00 10.807 32.905 6.255 1.00 10.575 32.084 8.550 1.00 11.904 30.248 9.467 1.00 10.758 29.706 8.220 1.00 12.488 29.862 7.832 1.00 12.836 32.502 9.428 1.00 13.492 32.349 7.779 1.00 12.365 33.670 8.171 1.00 7.829 31.853 6.156 1.00 6.598 32.491 5.669 1.00 6.400 33.878 6.292 1.00 6.635 34.058 7.486 1.00 5.385 31.607 5.964 1.00 5.367 30.289 5.201 1.00 4.115 29.484 5.517 1.00 4.102 28.162 4.764 1.00 2.885 27.361 5.067 1.00 7.914 31.634 7.138 1.00 6.663 32.644 4.591 1.00 5.390 31.405 7.035 1.00 4.497 32.186 5.708 1.00 5.400 30.507 4.133 1.00 6.249 29.714 5.481 1.00 4.088 29.292 6.590 1.00 3.243 30.072 5.232 1.00 4.139 28.376 3.697 1.00 4.989 27.597 5.051 1.00 2.915 26.494 4.549 1.00 2.851 27.161 6.057 1.00 2.063 27.884 4.801 1.00 5.967 34.856 5.494 1.00 5.746 36.206 6.016 1.00 Page 69

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


4344 4345 4346 4347 4348 4349 4350 4351 4352 4353 4354 4355 4356 4357 4358 4359 4360 4361 4362 4363 4364 4365 4366 4367 4368 4369 4370 4371 4372 4373 4374 4375 4376 4377 4378 4379 4380 4381 4382 4383 4384 4385 4386 4387 4388 4389 4390 4391 4392 4393 4394 4395 4396 4397 4398 4399 4400 4401 4402 4403 4404 4405 4406

C O CB OG1 CG2 H HA HB HG1 1HG2 2HG2 3HG2 N CA C O CB CG1 CG2 H HA HB 1HG1 2HG1 3HG1 1HG2 2HG2 3HG2 N CA C O CB CG CD OE1 NE2 H HA 1HB 2HB 1HG 2HG 1HE2 2HE2 N CA C O CB H HA 1HB 2HB 3HB N CA C O CB CG1 CG2 H

THR THR THR THR THR THR THR THR THR THR THR THR VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA VAL VAL VAL VAL VAL VAL VAL VAL


307 307 307 307 307 307 307 307 307 307 307 307 308 308 308 308 308 308 308 308 308 308 308 308 308 308 308 308 309 309 309 309 309 309 309 309 309 309 309 309 309 309 309 309 309 310 310 310 310 310 310 310 310 310 310 311 311 311 311 311 311 311 311

PEDF_P1_final_docking_model.txt 4.493 36.213 6.868 1.00 3.435 35.753 6.445 1.00 5.606 37.250 4.893 1.00 6.799 37.266 4.099 1.00 5.373 38.635 5.479 1.00 5.787 34.671 4.518 1.00 6.583 36.497 6.652 1.00 4.762 36.978 4.260 1.00 6.709 37.917 3.400 1.00 5.276 39.359 4.670 1.00 4.460 38.629 6.074 1.00 6.217 38.908 6.111 1.00 4.623 36.744 8.073 1.00 3.511 36.821 8.995 1.00 3.582 38.169 9.681 1.00 4.506 38.940 9.446 1.00 3.513 35.682 10.037 1.00 2.081 35.280 10.402 1.00 4.295 34.443 9.605 1.00 5.523 37.105 8.356 1.00 2.556 36.775 8.470 1.00 4.010 36.031 10.942 1.00 2.105 34.476 11.138 1.00 1.557 36.139 10.821 1.00 1.560 34.937 9.508 1.00 4.249 33.690 10.391 1.00 3.860 34.040 8.690 1.00 5.335 34.714 9.424 1.00 2.589 38.463 10.510 1.00 2.568 39.709 11.262 1.00 2.765 39.261 12.700 1.00 2.205 38.245 13.115 1.00 1.257 40.481 11.087 1.00 0.997 40.952 9.666 1.00 -0.335 41.662 9.527 1.00 -1.038 41.893 10.515 1.00 -0.693 42.011 8.296 1.00 1.829 37.807 10.623 1.00 3.386 40.349 10.931 1.00 0.455 39.816 11.408 1.00 1.306 41.339 11.756 1.00 1.734 41.505 9.084 1.00 0.896 39.945 9.258 1.00 -1.563 42.482 8.142 1.00 -0.094 41.803 7.523 1.00 3.552 39.994 13.473 1.00 3.780 39.552 14.835 1.00 4.018 40.657 15.821 1.00 4.255 41.805 15.456 1.00 5.021 38.661 14.889 1.00 3.995 40.842 13.150 1.00 2.887 39.038 15.190 1.00 5.187 38.332 15.915 1.00 4.873 37.791 14.249 1.00 5.887 39.223 14.544 1.00 3.925 40.289 17.089 1.00 4.170 41.213 18.176 1.00 5.614 40.920 18.508 1.00 5.935 39.881 19.075 1.00 3.257 41.004 19.399 1.00 3.609 41.991 20.501 1.00 1.795 41.148 19.003 1.00 3.675 39.334 17.302 1.00 Page 70

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


4407 4408 4409 4410 4411 4412 4413 4414 4415 4416 4417 4418 4419 4420 4421 4422 4423 4424 4425 4426 4427 4428 4429 4430 4431 4432 4433 4434 4435 4436 4437 4438 4439 4440 4441 4442 4443 4444 4445 4446 4447 4448 4449 4450 4451 4452 4453 4454 4455 4456 4457 4458 4459 4460 4461 4462 4463 4464 4465 4466 4467 4468 4469

HA HB 1HG1 2HG1 3HG1 1HG2 2HG2 3HG2 N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB OG1 CG2 H HA HB HG1 1HG2 2HG2 3HG2 N CA C O CB CG1 CG2 H HA HB 1HG1 2HG1 3HG1 1HG2 2HG2 3HG2 N CA C O CB CG

VAL VAL VAL VAL VAL VAL VAL VAL LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU THR THR THR THR THR THR THR THR THR THR THR THR THR THR VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL PRO PRO PRO PRO PRO PRO


311 311 311 311 311 311 311 311 312 312 312 312 312 312 312 312 312 312 312 312 312 312 312 312 312 312 312 313 313 313 313 313 313 313 313 313 313 313 313 313 313 314 314 314 314 314 314 314 314 314 314 314 314 314 314 314 314 315 315 315 315 315 315


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


4470 4471 4472 4473 4474 4475 4476 4477 4478 4479 4480 4481 4482 4483 4484 4485 4486 4487 4488 4489 4490 4491 4492 4493 4494 4495 4496 4497 4498 4499 4500 4501 4502 4503 4504 4505 4506 4507 4508 4509 4510 4511 4512 4513 4514 4515 4516 4517 4518 4519 4520 4521 4522 4523 4524 4525 4526 4527 4528 4529 4530 4531 4532

CD HA 1HB 2HB 1HG 2HG 1HD 2HD N CA C O CB CG CD CE NZ H HA 1HB 2HB 1HG 2HG 1HD 2HD 1HE 2HE 1HZ 2HZ 3HZ N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB CG CD CE NZ H HA 1HB 2HB 1HG

PRO PRO PRO PRO PRO PRO PRO PRO LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS


315 315 315 315 315 315 315 315 316 316 316 316 316 316 316 316 316 316 316 316 316 316 316 316 316 316 316 316 316 316 317 317 317 317 317 317 317 317 317 317 317 317 317 317 317 317 317 317 317 318 318 318 318 318 318 318 318 318 318 318 318 318 318


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


4533 4534 4535 4536 4537 4538 4539 4540 4541 4542 4543 4544 4545 4546 4547 4548 4549 4550 4551 4552 4553 4554 4555 4556 4557 4558 4559 4560 4561 4562 4563 4564 4565 4566 4567 4568 4569 4570 4571 4572 4573 4574 4575 4576 4577 4578 4579 4580 4581 4582 4583 4584 4585 4586 4587 4588 4589 4590 4591 4592 4593 4594 4595

2HG 1HD 2HD 1HE 2HE 1HZ 2HZ 3HZ N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB OG H HA 1HB 2HB HG N CA C O CB CG CD1 CD2 CE1 CE2 CZ OH H HA 1HB 2HB HD1 HD2 HE1 HE2 HH N CA C O

LYS LYS LYS LYS LYS LYS LYS LYS LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU SER SER SER SER SER SER SER SER SER SER SER TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR GLU GLU GLU GLU


318 318 318 318 318 318 318 318 319 319 319 319 319 319 319 319 319 319 319 319 319 319 319 319 319 319 319 320 320 320 320 320 320 320 320 320 320 320 321 321 321 321 321 321 321 321 321 321 321 321 321 321 321 321 321 321 321 321 321 322 322 322 322


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


4596 4597 4598 4599 4600 4601 4602 4603 4604 4605 4606 4607 4608 4609 4610 4611 4612 4613 4614 4615 4616 4617 4618 4619 4620 4621 4622 4623 4624 4625 4626 4627 4628 4629 4630 4631 4632 4633 4634 4635 4636 4637 4638 4639 4640 4641 4642 4643 4644 4645 4646 4647 4648 4649 4650 4651 4652 4653 4654 4655 4656 4657 4658

CB CG CD OE1 OE2 H HA 1HB 2HB 1HG 2HG N CA C O H 1HA 2HA N CA C O CB CG CD OE1 OE2 H HA 1HB 2HB 1HG 2HG N CA C O CB CG1 CG2 H HA HB 1HG1 2HG1 3HG1 1HG2 2HG2 3HG2 N CA C O CB OG1 CG2 H HA HB HG1 1HG2 2HG2 3HG2

GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLY GLY GLY GLY GLY GLY GLY GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL THR THR THR THR THR THR THR THR THR THR THR THR THR THR


322 322 322 322 322 322 322 322 322 322 322 323 323 323 323 323 323 323 324 324 324 324 324 324 324 324 324 324 324 324 324 324 324 325 325 325 325 325 325 325 325 325 325 325 325 325 325 325 325 326 326 326 326 326 326 326 326 326 326 326 326 326 326


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


4659 4660 4661 4662 4663 4664 4665 4666 4667 4668 4669 4670 4671 4672 4673 4674 4675 4676 4677 4678 4679 4680 4681 4682 4683 4684 4685 4686 4687 4688 4689 4690 4691 4692 4693 4694 4695 4696 4697 4698 4699 4700 4701 4702 4703 4704 4705 4706 4707 4708 4709 4710 4711 4712 4713 4714 4715 4716 4717 4718 4719 4720 4721

N CA C O CB CG CD CE NZ H HA 1HB 2HB 1HG 2HG 1HD 2HD 1HE 2HE 1HZ 2HZ 3HZ N CA C O CB OG H HA 1HB 2HB HG N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB CG CD OE1 NE2 H HA

LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS SER SER SER SER SER SER SER SER SER SER SER LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN


327 327 327 327 327 327 327 327 327 327 327 327 327 327 327 327 327 327 327 327 327 327 328 328 328 328 328 328 328 328 328 328 328 329 329 329 329 329 329 329 329 329 329 329 329 329 329 329 329 329 329 329 330 330 330 330 330 330 330 330 330 330 330


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


4722 4723 4724 4725 4726 4727 4728 4729 4730 4731 4732 4733 4734 4735 4736 4737 4738 4739 4740 4741 4742 4743 4744 4745 4746 4747 4748 4749 4750 4751 4752 4753 4754 4755 4756 4757 4758 4759 4760 4761 4762 4763 4764 4765 4766 4767 4768 4769 4770 4771 4772 4773 4774 4775 4776 4777 4778 4779 4780 4781 4782 4783 4784

1HB 2HB 1HG 2HG 1HE2 2HE2 N CA C O CB CG CD OE1 OE2 H HA 1HB 2HB 1HG 2HG N CA C O CB CG SD CE H HA 1HB 2HB 1HG 2HG 1HE 2HE 3HE N CA C O CB CG CD CE NZ H HA 1HB 2HB 1HG 2HG 1HD 2HD 1HE 2HE 1HZ 2HZ 3HZ N CA C

GLN GLN GLN GLN GLN GLN GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU MET MET MET MET MET MET MET MET MET MET MET MET MET MET MET MET MET LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LEU LEU LEU


330 330 330 330 330 330 331 331 331 331 331 331 331 331 331 331 331 331 331 331 331 332 332 332 332 332 332 332 332 332 332 332 332 332 332 332 332 332 333 333 333 333 333 333 333 333 333 333 333 333 333 333 333 333 333 333 333 333 333 333 334 334 334


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


4785 4786 4787 4788 4789 4790 4791 4792 4793 4794 4795 4796 4797 4798 4799 4800 4801 4802 4803 4804 4805 4806 4807 4808 4809 4810 4811 4812 4813 4814 4815 4816 4817 4818 4819 4820 4821 4822 4823 4824 4825 4826 4827 4828 4829 4830 4831 4832 4833 4834 4835 4836 4837 4838 4839 4840 4841 4842 4843 4844 4845 4846 4847

O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB CG CD OE1 NE2 H HA 1HB 2HB 1HG 2HG 1HE2 2HE2 N CA C O CB OG H HA 1HB 2HB HG N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2

LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN SER SER SER SER SER SER SER SER SER SER SER LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU


334 334 334 334 334 334 334 334 334 334 334 334 334 334 334 334 335 335 335 335 335 335 335 335 335 335 335 335 335 335 335 335 335 336 336 336 336 336 336 336 336 336 336 336 337 337 337 337 337 337 337 337 337 337 337 337 337 337 337 337 337 337 337


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


4848 4849 4850 4851 4852 4853 4854 4855 4856 4857 4858 4859 4860 4861 4862 4863 4864 4865 4866 4867 4868 4869 4870 4871 4872 4873 4874 4875 4876 4877 4878 4879 4880 4881 4882 4883 4884 4885 4886 4887 4888 4889 4890 4891 4892 4893 4894 4895 4896 4897 4898 4899 4900 4901 4902 4903 4904 4905 4906 4907 4908 4909 4910

N CA C O CB CG CD1 CD2 CE1 CE2 CZ H HA 1HB 2HB HD1 HD2 HE1 HE2 HZ N CA C O CB CG OD1 OD2 H HA 1HB 2HB N CA C O CB OG H HA 1HB 2HB HG N CA C O CB CG CD HA 1HB 2HB 1HG 2HG 1HD 2HD N CA C O CB CG

PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP SER SER SER SER SER SER SER SER SER SER SER PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO ASP ASP ASP ASP ASP ASP


338 338 338 338 338 338 338 338 338 338 338 338 338 338 338 338 338 338 338 338 339 339 339 339 339 339 339 339 339 339 339 339 340 340 340 340 340 340 340 340 340 340 340 341 341 341 341 341 341 341 341 341 341 341 341 341 341 342 342 342 342 342 342


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


4911 4912 4913 4914 4915 4916 4917 4918 4919 4920 4921 4922 4923 4924 4925 4926 4927 4928 4929 4930 4931 4932 4933 4934 4935 4936 4937 4938 4939 4940 4941 4942 4943 4944 4945 4946 4947 4948 4949 4950 4951 4952 4953 4954 4955 4956 4957 4958 4959 4960 4961 4962 4963 4964 4965 4966 4967 4968 4969 4970 4971 4972 4973

OD1 OD2 H HA 1HB 2HB N CA C O CB CG CD1 CD2 CE1 CE2 CZ H HA 1HB 2HB HD1 HD2 HE1 HE2 HZ N CA C O CB OG H HA 1HB 2HB HG N CA C O CB CG CD CE NZ H HA 1HB 2HB 1HG 2HG 1HD 2HD 1HE 2HE 1HZ 2HZ 3HZ N CA C O

ASP ASP ASP ASP ASP ASP PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE SER SER SER SER SER SER SER SER SER SER SER LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS ILE ILE ILE ILE


342 342 342 342 342 342 343 343 343 343 343 343 343 343 343 343 343 343 343 343 343 343 343 343 343 343 344 344 344 344 344 344 344 344 344 344 344 345 345 345 345 345 345 345 345 345 345 345 345 345 345 345 345 345 345 345 345 345 345 346 346 346 346

PEDF_P1_final_docking_model.txt 57.657 25.241 3.520 1.00 57.563 23.199 2.960 1.00 54.003 24.535 6.421 1.00 56.887 25.292 6.106 1.00 56.332 22.946 5.176 1.00 55.127 23.852 4.228 1.00 56.091 27.433 5.172 1.00 55.718 28.685 4.526 1.00 56.872 29.220 3.698 1.00 57.002 30.428 3.507 1.00 55.287 29.722 5.564 1.00 53.951 29.435 6.190 1.00 53.845 29.187 7.550 1.00 52.799 29.411 5.419 1.00 52.617 28.922 8.127 1.00 51.570 29.147 5.993 1.00 51.480 28.902 7.348 1.00 56.858 27.428 5.830 1.00 54.886 28.515 3.841 1.00 56.010 29.762 6.378 1.00 55.208 30.705 5.101 1.00 54.745 29.203 8.166 1.00 52.870 29.604 4.348 1.00 52.549 28.729 9.197 1.00 50.672 29.132 5.376 1.00 50.512 28.693 7.801 1.00 57.706 28.312 3.204 1.00 58.867 28.688 2.407 1.00 58.552 29.643 1.251 1.00 59.459 30.230 0.655 1.00 59.529 27.434 1.871 1.00 58.698 26.740 0.980 1.00 57.530 27.334 3.386 1.00 59.670 29.133 2.996 1.00 60.445 27.717 1.353 1.00 59.773 26.782 2.709 1.00 57.890 26.483 1.431 1.00 57.272 29.809 0.939 1.00 56.879 30.727 -0.124 1.00 56.805 32.158 0.406 1.00 56.677 33.109 -0.362 1.00 55.535 30.312 -0.725 1.00 55.599 29.080 -1.618 1.00 54.225 28.721 -2.164 1.00 54.216 27.324 -2.767 1.00 52.833 26.810 -2.962 1.00 56.557 29.299 1.438 1.00 57.630 30.719 -0.915 1.00 54.858 30.122 0.107 1.00 55.168 31.160 -1.304 1.00 56.277 29.287 -2.447 1.00 55.987 28.247 -1.032 1.00 53.503 28.769 -1.347 1.00 53.954 29.448 -2.930 1.00 54.727 27.363 -3.728 1.00 54.759 26.659 -2.096 1.00 52.872 25.884 -3.363 1.00 52.359 26.772 -2.071 1.00 52.331 27.426 -3.585 1.00 56.876 32.298 1.724 1.00 56.831 33.603 2.374 1.00 58.243 34.054 2.725 1.00 58.617 35.211 2.524 1.00 Page 79

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


4974 4975 4976 4977 4978 4979 4980 4981 4982 4983 4984 4985 4986 4987 4988 4989 4990 4991 4992 4993 4994 4995 4996 4997 4998 4999 5000 5001 5002 5003 5004 5005 5006 5007 5008 5009 5010 5011 5012 5013 5014 5015 5016 5017 5018 5019 5020 5021 5022 5023 5024 5025 5026 5027 5028 5029 5030 5031 5032 5033 5034 5035 5036

CB CG1 CG2 CD1 H HA HB 1HG1 2HG1 1HG2 2HG2 3HG2 1HD1 2HD1 3HD1 N CA C O CB OG1 CG2 H HA HB HG1 1HG2 2HG2 3HG2 N CA C O H 1HA 2HA N CA C O CB CG CD CE NZ H HA 1HB 2HB 1HG 2HG 1HD 2HD 1HE 2HE 1HZ 2HZ 3HZ N CA C O CB

ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE THR THR THR THR THR THR THR THR THR THR THR THR THR THR GLY GLY GLY GLY GLY GLY GLY LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS PRO PRO PRO PRO PRO


346 346 346 346 346 346 346 346 346 346 346 346 346 346 346 347 347 347 347 347 347 347 347 347 347 347 347 347 347 348 348 348 348 348 348 348 349 349 349 349 349 349 349 349 349 349 349 349 349 349 349 349 349 349 349 349 349 349 350 350 350 350 350


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


5037 5038 5039 5040 5041 5042 5043 5044 5045 5046 5047 5048 5049 5050 5051 5052 5053 5054 5055 5056 5057 5058 5059 5060 5061 5062 5063 5064 5065 5066 5067 5068 5069 5070 5071 5072 5073 5074 5075 5076 5077 5078 5079 5080 5081 5082 5083 5084 5085 5086 5087 5088 5089 5090 5091 5092 5093 5094 5095 5096 5097 5098 5099

CG CD HA 1HB 2HB 1HG 2HG 1HD 2HD N CA C O CB CG1 CG2 CD1 H HA HB 1HG1 2HG1 1HG2 2HG2 3HG2 1HD1 2HD1 3HD1 N CA C O CB CG CD CE NZ H HA 1HB 2HB 1HG 2HG 1HD 2HD 1HE 2HE 1HZ 2HZ 3HZ N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG

PRO PRO PRO PRO PRO PRO PRO PRO PRO ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU


350 350 350 350 350 350 350 350 350 351 351 351 351 351 351 351 351 351 351 351 351 351 351 351 351 351 351 351 352 352 352 352 352 352 352 352 352 352 352 352 352 352 352 352 352 352 352 352 352 352 353 353 353 353 353 353 353 353 353 353 353 353 353


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


5100 5101 5102 5103 5104 5105 5106 5107 5108 5109 5110 5111 5112 5113 5114 5115 5116 5117 5118 5119 5120 5121 5122 5123 5124 5125 5126 5127 5128 5129 5130 5131 5132 5133 5134 5135 5136 5137 5138 5139 5140 5141 5142 5143 5144 5145 5146 5147 5148 5149 5150 5151 5152 5153 5154 5155 5156 5157 5158 5159 5160 5161 5162

1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB OG1 CG2 H HA HB HG1 1HG2 2HG2 3HG2 N CA C O CB CG CD OE1 NE2 H HA 1HB 2HB 1HG 2HG 1HE2 2HE2 N CA C O CB CG1 CG2 H HA HB 1HG1 2HG1 3HG1 1HG2 2HG2 3HG2 N CA C O CB CG CD OE1 OE2 H

LEU LEU LEU LEU LEU LEU THR THR THR THR THR THR THR THR THR THR THR THR THR THR GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU


353 353 353 353 353 353 354 354 354 354 354 354 354 354 354 354 354 354 354 354 355 355 355 355 355 355 355 355 355 355 355 355 355 355 355 355 355 356 356 356 356 356 356 356 356 356 356 356 356 356 356 356 356 357 357 357 357 357 357 357 357 357 357


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


5163 5164 5165 5166 5167 5168 5169 5170 5171 5172 5173 5174 5175 5176 5177 5178 5179 5180 5181 5182 5183 5184 5185 5186 5187 5188 5189 5190 5191 5192 5193 5194 5195 5196 5197 5198 5199 5200 5201 5202 5203 5204 5205 5206 5207 5208 5209 5210 5211 5212 5213 5214 5215 5216 5217 5218 5219 5220 5221 5222 5223 5224 5225

HA 1HB 2HB 1HG 2HG N CA C O CB CG ND1 CD2 CE1 NE2 H HA 1HB 2HB HD1 HD2 HE1 N CA C O CB CG CD NE CZ NH1 NH2 H HA 1HB 2HB 1HG 2HG 1HD 2HD HE 1HH1 2HH1 1HH2 2HH2 N CA C O CB H HA 1HB 2HB 3HB N CA C O H 1HA 2HA

GLU GLU GLU GLU GLU HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA GLY GLY GLY GLY GLY GLY GLY


357 357 357 357 357 358 358 358 358 358 358 358 358 358 358 358 358 358 358 358 358 358 359 359 359 359 359 359 359 359 359 359 359 359 359 359 359 359 359 359 359 359 359 359 359 359 360 360 360 360 360 360 360 360 360 360 361 361 361 361 361 361 361


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


5226 5227 5228 5229 5230 5231 5232 5233 5234 5235 5236 5237 5238 5239 5240 5241 5242 5243 5244 5245 5246 5247 5248 5249 5250 5251 5252 5253 5254 5255 5256 5257 5258 5259 5260 5261 5262 5263 5264 5265 5266 5267 5268 5269 5270 5271 5272 5273 5274 5275 5276 5277 5278 5279 5280 5281 5282 5283 5284 5285 5286 5287 5288

N CA C O CB CG CD1 CD2 CE1 CE2 CZ H HA 1HB 2HB HD1 HD2 HE1 HE2 HZ N CA C O CB CG CD OE1 OE2 H HA 1HB 2HB 1HG 2HG N CA C O CB CG CD1 CD2 NE1 CE2 CE3 CZ2 CZ3 CH2 H HA 1HB 2HB HD1 HE1 HE3 HZ2 HZ3 HH2 N CA C O

PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP TRP ASN ASN ASN ASN


362 362 362 362 362 362 362 362 362 362 362 362 362 362 362 362 362 362 362 362 363 363 363 363 363 363 363 363 363 363 363 363 363 363 363 364 364 364 364 364 364 364 364 364 364 364 364 364 364 364 364 364 364 364 364 364 364 364 364 365 365 365 365


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


5289 5290 5291 5292 5293 5294 5295 5296 5297 5298 5299 5300 5301 5302 5303 5304 5305 5306 5307 5308 5309 5310 5311 5312 5313 5314 5315 5316 5317 5318 5319 5320 5321 5322 5323 5324 5325 5326 5327 5328 5329 5330 5331 5332 5333 5334 5335 5336 5337 5338 5339 5340 5341 5342 5343 5344 5345 5346 5347 5348 5349 5350 5351

CB CG OD1 ND2 H HA 1HB 2HB 1HD2 2HD2 N CA C O CB CG CD OE1 OE2 H HA 1HB 2HB 1HG 2HG N CA C O CB CG OD1 OD2 H HA 1HB 2HB N CA C O H 1HA 2HA N CA C O CB H HA 1HB 2HB 3HB N CA C O H 1HA 2HA N CA

ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP GLY GLY GLY GLY GLY GLY GLY ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA GLY GLY GLY GLY GLY GLY GLY THR THR


365 365 365 365 365 365 365 365 365 365 366 366 366 366 366 366 366 366 366 366 366 366 366 366 366 367 367 367 367 367 367 367 367 367 367 367 367 368 368 368 368 368 368 368 369 369 369 369 369 369 369 369 369 369 370 370 370 370 370 370 370 371 371


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


5352 5353 5354 5355 5356 5357 5358 5359 5360 5361 5362 5363 5364 5365 5366 5367 5368 5369 5370 5371 5372 5373 5374 5375 5376 5377 5378 5379 5380 5381 5382 5383 5384 5385 5386 5387 5388 5389 5390 5391 5392 5393 5394 5395 5396 5397 5398 5399 5400 5401 5402 5403 5404 5405 5406 5407 5408 5409 5410 5411 5412 5413 5414

C O CB OG1 CG2 H HA HB HG1 1HG2 2HG2 3HG2 N CA C O CB OG1 CG2 H HA HB HG1 1HG2 2HG2 3HG2 N CA C O CB CG ND1 CD2 CE1 NE2 H HA 1HB 2HB HD1 HD2 HE1 N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N

THR THR THR THR THR THR THR THR THR THR THR THR THR THR THR THR THR THR THR THR THR THR THR THR THR THR HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU THR


371 371 371 371 371 371 371 371 371 371 371 371 372 372 372 372 372 372 372 372 372 372 372 372 372 372 373 373 373 373 373 373 373 373 373 373 373 373 373 373 373 373 373 374 374 374 374 374 374 374 374 374 374 374 374 374 374 374 374 374 374 374 375

PEDF_P1_final_docking_model.txt 6.769 51.866 7.263 1.00 6.282 52.490 6.317 1.00 7.086 53.480 9.156 1.00 6.091 52.757 9.892 1.00 6.422 54.617 8.394 1.00 8.597 53.533 6.468 1.00 8.266 51.723 8.760 1.00 7.816 53.889 9.854 1.00 5.451 52.383 9.282 1.00 5.921 55.281 9.098 1.00 7.179 55.175 7.842 1.00 5.692 54.208 7.697 1.00 6.445 50.605 7.546 1.00 5.473 49.842 6.759 1.00 5.518 50.184 5.268 1.00 6.522 49.946 4.592 1.00 4.040 50.072 7.274 1.00 3.690 51.454 7.117 1.00 3.933 49.689 8.742 1.00 6.892 50.164 8.337 1.00 5.703 48.778 6.819 1.00 3.351 49.463 6.689 1.00 3.737 51.692 6.188 1.00 2.913 49.859 9.088 1.00 4.188 48.637 8.863 1.00 4.621 50.299 9.327 1.00 -9.014 42.039 6.802 1.00 -9.947 41.418 7.740 1.00 -9.490 39.989 8.008 1.00 -9.156 39.260 7.072 1.00 -11.380 41.433 7.198 1.00 -12.381 40.819 8.127 1.00 -12.744 41.406 9.321 1.00 -13.094 39.672 8.038 1.00 -13.640 40.645 9.926 1.00 -13.868 39.588 9.169 1.00 -9.232 42.035 5.816 1.00 -9.933 41.961 8.684 1.00 -11.706 42.458 7.022 1.00 -11.434 40.871 6.265 1.00 -12.453 42.304 9.651 1.00 -13.142 38.886 7.284 1.00 -14.056 40.938 10.890 1.00 -9.501 39.583 9.275 1.00 -9.041 38.249 9.663 1.00 -7.513 38.224 9.603 1.00 -6.910 38.468 8.562 1.00 -9.685 37.070 8.916 1.00 -11.178 36.932 9.213 1.00 -11.829 35.842 8.361 1.00 -11.442 36.737 10.707 1.00 -9.837 40.214 9.988 1.00 -9.343 38.043 10.689 1.00 -9.520 37.398 7.891 1.00 -9.146 36.139 9.090 1.00 -11.653 37.871 8.928 1.00 -12.890 35.776 8.602 1.00 -11.713 36.087 7.305 1.00 -11.350 34.885 8.567 1.00 -12.515 36.644 10.877 1.00 -10.939 35.833 11.051 1.00 -11.061 37.596 11.259 1.00 -6.887 37.924 10.731 1.00 Page 86

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


5415 5416 5417 5418 5419 5420 5421 5422 5423 5424 5425 5426 5427 5428 5429 5430 5431 5432 5433 5434 5435 5436 5437 5438 5439 5440 5441 5442 5443 5444 5445 5446 5447 5448 5449 5450 5451 5452 5453 5454 5455 5456 5457 5458 5459 5460 5461 5462 5463 5464 5465 5466 5467 5468 5469 5470 5471 5472 5473 5474 5475 5476 5477

CA C O CB OG1 CG2 H HA HB HG1 1HG2 2HG2 3HG2 N CA C O CB CG CD1 CD2 CE1 CE2 CZ H HA 1HB 2HB HD1 HD2 HE1 HE2 HZ N CA C O CB CG CD HA 1HB 2HB 1HG 2HG 1HD 2HD N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1

THR THR THR THR THR THR THR THR THR THR THR THR THR PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU


375 375 375 375 375 375 375 375 375 375 375 375 375 376 376 376 376 376 376 376 376 376 376 376 376 376 376 376 376 376 376 376 376 377 377 377 377 377 377 377 377 377 377 377 377 377 377 378 378 378 378 378 378 378 378 378 378 378 378 378 378 378 378

PEDF_P1_final_docking_model.txt -5.443 37.884 10.797 1.00 -4.995 36.583 11.425 1.00 -5.788 35.655 11.586 1.00 -4.872 39.066 11.602 1.00 -5.288 38.961 12.970 1.00 -5.359 40.387 11.029 1.00 -7.423 37.719 11.562 1.00 -5.027 37.919 9.790 1.00 -3.783 39.031 11.559 1.00 -4.930 39.698 13.470 1.00 -4.944 41.210 11.611 1.00 -5.034 40.475 9.992 1.00 -6.446 40.423 11.072 1.00 -3.715 36.531 11.778 1.00 -3.120 35.357 12.392 1.00 -2.317 35.783 13.625 1.00 -1.516 36.714 13.573 1.00 -2.230 34.614 11.394 1.00 -1.581 33.383 11.959 1.00 -2.303 32.209 12.111 1.00 -0.248 33.397 12.342 1.00 -1.707 31.075 12.631 1.00 0.350 32.266 12.861 1.00 -0.381 31.104 13.006 1.00 -3.139 37.343 11.610 1.00 -3.904 34.677 12.727 1.00 -2.817 34.291 10.536 1.00 -1.423 35.264 11.056 1.00 -3.352 32.186 11.813 1.00 0.329 34.315 12.228 1.00 -2.286 30.159 12.745 1.00 1.399 32.290 13.157 1.00 0.089 30.211 13.418 1.00 -2.537 35.107 14.760 1.00 -1.823 35.428 16.004 1.00 -0.354 35.028 15.916 1.00 -0.028 33.977 15.364 1.00 -2.569 34.637 17.083 1.00 -3.186 33.496 16.348 1.00 -3.521 34.036 14.983 1.00 -1.812 36.506 16.222 1.00 -1.885 34.282 17.868 1.00 -3.335 35.253 17.578 1.00 -2.491 32.646 16.277 1.00 -4.088 33.133 16.862 1.00 -3.428 33.271 14.199 1.00 -4.549 34.425 14.931 1.00 0.536 35.852 16.458 1.00 1.949 35.503 16.438 1.00 2.804 36.310 17.402 1.00 2.956 37.522 17.262 1.00 2.539 35.605 15.032 1.00 3.923 34.965 14.971 1.00 3.882 33.495 15.390 1.00 4.573 35.164 13.607 1.00 0.250 36.721 16.886 1.00 2.074 34.469 16.759 1.00 1.802 35.016 14.488 1.00 2.529 36.631 14.663 1.00 4.550 35.480 15.699 1.00 4.885 33.072 15.334 1.00 3.513 33.418 16.413 1.00 3.220 32.945 14.723 1.00 Page 87

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


5478 5479 5480 5481 5482 5483 5484 5485 5486 5487 5488 5489 5490 5491 5492 5493 5494 5495 5496 5497 5498 5499 5500 5501 5502 5503 5504 5505 5506 5507 5508 5509 5510 5511 5512 5513 5514 5515 5516 5517 5518 5519 5520 5521 5522 5523 5524 5525 5526 5527 5528 5529 5530 5531 5532 5533 5534 5535 5536 5537 5538 5539 5540

1HD2 2HD2 3HD2 N CA C O CB CG OD1 OD2 H HA 1HB 2HB N CA C O CB CG CD1 CD2 CE1 CE2 CZ OH H HA 1HB 2HB HD1 HD2 HE1 HE2 HH N CA C O CB CG ND1 CD2 CE1 NE2 H HA 1HB 2HB HD2 HE1 HE2 N CA C O CB CG CD1 CD2 H HA

LEU LEU LEU ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU


378 378 378 379 379 379 379 379 379 379 379 379 379 379 379 380 380 380 380 380 380 380 380 380 380 380 380 380 380 380 380 380 380 380 380 380 381 381 381 381 381 381 381 381 381 381 381 381 381 381 381 381 381 382 382 382 382 382 382 382 382 382 382


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


5541 5542 5543 5544 5545 5546 5547 5548 5549 5550 5551 5552 5553 5554 5555 5556 5557 5558 5559 5560 5561 5562 5563 5564 5565 5566 5567 5568 5569 5570 5571 5572 5573 5574 5575 5576 5577 5578 5579 5580 5581 5582 5583 5584 5585 5586 5587 5588 5589 5590 5591 5592 5593 5594 5595 5596 5597 5598 5599 5600 5601 5602 5603

1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB CG OD1 ND2 H HA 1HB 2HB 1HD2 2HD2 N CA C O CB CG CD OE1 NE2 H HA 1HB 2HB 1HG 2HG 1HE2 2HE2 N CA C O CB CG CD HA 1HB 2HB 1HG 2HG 1HD 2HD N CA C O CB CG CD1 CD2 CE1

LEU LEU LEU LEU LEU LEU LEU LEU LEU ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PHE PHE PHE PHE PHE PHE PHE PHE PHE


382 382 382 382 382 382 382 382 382 383 383 383 383 383 383 383 383 383 383 383 383 383 383 384 384 384 384 384 384 384 384 384 384 384 384 384 384 384 384 384 385 385 385 385 385 385 385 385 385 385 385 385 385 385 386 386 386 386 386 386 386 386 386


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


5604 5605 5606 5607 5608 5609 5610 5611 5612 5613 5614 5615 5616 5617 5618 5619 5620 5621 5622 5623 5624 5625 5626 5627 5628 5629 5630 5631 5632 5633 5634 5635 5636 5637 5638 5639 5640 5641 5642 5643 5644 5645 5646 5647 5648 5649 5650 5651 5652 5653 5654 5655 5656 5657 5658 5659 5660 5661 5662 5663 5664 5665 5666

CE2 CZ H HA 1HB 2HB HD1 HD2 HE1 HE2 HZ N CA C O CB CG1 CG2 CD1 H HA HB 1HG1 2HG1 1HG2 2HG2 3HG2 1HD1 2HD1 3HD1 N CA C O CB CG CD1 CD2 CE1 CE2 CZ H HA 1HB 2HB HD1 HD2 HE1 HE2 HZ N CA C O CB CG1 CG2 H HA HB 1HG1 2HG1 3HG1

PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL


386 386 386 386 386 386 386 386 386 386 386 387 387 387 387 387 387 387 387 387 387 387 387 387 387 387 387 387 387 387 388 388 388 388 388 388 388 388 388 388 388 388 388 388 388 388 388 388 388 388 389 389 389 389 389 389 389 389 389 389 389 389 389


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


5667 5668 5669 5670 5671 5672 5673 5674 5675 5676 5677 5678 5679 5680 5681 5682 5683 5684 5685 5686 5687 5688 5689 5690 5691 5692 5693 5694 5695 5696 5697 5698 5699 5700 5701 5702 5703 5704 5705 5706 5707 5708 5709 5710 5711 5712 5713 5714 5715 5716 5717 5718 5719 5720 5721 5722 5723 5724 5725 5726 5727 5728 5729

1HG2 2HG2 3HG2 N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB CG CD NE CZ NH1 NH2 H HA 1HB 2HB 1HG 2HG 1HD 2HD HE 1HH1 2HH1 1HH2 2HH2 N CA C O CB CG OD1 OD2 H HA 1HB 2HB N CA C O CB

VAL VAL VAL LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP THR THR THR THR THR


389 389 389 390 390 390 390 390 390 390 390 390 390 390 390 390 390 390 390 390 390 390 391 391 391 391 391 391 391 391 391 391 391 391 391 391 391 391 391 391 391 391 391 391 391 391 392 392 392 392 392 392 392 392 392 392 392 392 393 393 393 393 393

PEDF_P1_final_docking_model.txt 22.869 31.898 12.283 1.00 23.925 32.935 13.271 1.00 22.170 32.912 13.567 1.00 23.645 37.363 11.436 1.00 23.608 38.487 10.502 1.00 24.131 37.931 9.186 1.00 25.302 37.592 9.080 1.00 24.450 39.671 10.994 1.00 24.626 40.812 9.985 1.00 23.306 41.547 9.793 1.00 25.706 41.764 10.475 1.00 24.440 37.259 12.050 1.00 22.581 38.830 10.384 1.00 23.827 39.998 11.825 1.00 25.419 39.346 11.374 1.00 24.971 40.368 9.051 1.00 23.440 42.355 9.075 1.00 22.553 40.852 9.420 1.00 22.978 41.960 10.746 1.00 25.830 42.574 9.756 1.00 25.417 42.176 11.442 1.00 26.648 41.224 10.578 1.00 23.268 37.836 8.184 1.00 23.677 37.275 6.904 1.00 23.539 38.258 5.748 1.00 22.683 39.146 5.778 1.00 22.944 35.976 6.605 1.00 21.432 36.100 6.516 1.00 20.746 34.885 6.006 1.00 20.912 34.653 4.580 1.00 20.129 35.187 3.622 1.00 19.105 35.950 3.932 1.00 20.403 34.902 2.361 1.00 22.316 38.153 8.301 1.00 24.736 37.016 6.936 1.00 23.331 35.604 5.657 1.00 23.200 35.276 7.400 1.00 21.042 36.312 7.511 1.00 21.191 36.928 5.847 1.00 21.139 34.012 6.526 1.00 19.678 34.973 6.201 1.00 21.597 34.090 4.094 1.00 18.897 36.144 4.901 1.00 18.530 36.340 3.199 1.00 21.184 34.298 2.141 1.00 19.832 35.288 1.624 1.00 24.396 38.108 4.738 1.00 24.325 38.956 3.549 1.00 23.362 38.256 2.601 1.00 23.558 37.085 2.276 1.00 25.657 39.061 2.837 1.00 25.305 39.854 1.616 1.00 25.690 39.484 0.516 1.00 24.571 40.816 1.779 1.00 25.110 37.395 4.792 1.00 23.936 39.938 3.819 1.00 26.455 39.458 3.465 1.00 25.847 38.007 2.630 1.00 22.325 38.969 2.170 1.00 21.308 38.403 1.280 1.00 21.779 38.003 -0.117 1.00 21.348 36.978 -0.647 1.00 20.139 39.392 1.115 1.00 Page 91

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


5730 5731 5732 5733 5734 5735 5736 5737 5738 5739 5740 5741 5742 5743 5744 5745 5746 5747 5748 5749 5750 5751 5752 5753 5754 5755 5756 5757 5758 5759 5760 5761 5762 5763 5764 5765 5766 5767 5768 5769 5770 5771 5772 5773 5774 5775 5776 5777 5778 5779 5780 5781 5782 5783 5784 5785 5786 5787 5788 5789 5790 5791 5792

OG1 CG2 H HA HB HG1 1HG2 2HG2 3HG2 N CA C O CB CG OD1 OD2 H HA 1HB 2HB N CA C O CB OG1 CG2 H HA HB HG1 1HG2 2HG2 3HG2 N CA C O H 1HA 2HA N CA C O CB H HA 1HB 2HB 3HB N CA C O CB CG CD1 CD2 H HA 1HB

THR THR THR THR THR THR THR THR THR ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP THR THR THR THR THR THR THR THR THR THR THR THR THR THR GLY GLY GLY GLY GLY GLY GLY ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU


393 393 393 393 393 393 393 393 393 394 394 394 394 394 394 394 394 394 394 394 394 395 395 395 395 395 395 395 395 395 395 395 395 395 395 396 396 396 396 396 396 396 397 397 397 397 397 397 397 397 397 397 398 398 398 398 398 398 398 398 398 398 398

PEDF_P1_final_docking_model.txt 19.525 39.626 2.389 1.00 19.102 38.835 0.151 1.00 22.239 39.930 2.467 1.00 20.935 37.467 1.695 1.00 20.524 40.335 0.728 1.00 18.796 40.243 2.283 1.00 18.284 39.548 0.047 1.00 19.564 38.667 -0.822 1.00 18.716 37.893 0.538 1.00 22.648 38.815 -0.714 1.00 23.143 38.555 -2.063 1.00 24.010 37.310 -2.188 1.00 23.723 36.420 -2.994 1.00 23.930 39.769 -2.565 1.00 23.072 40.985 -2.885 1.00 21.873 40.846 -2.933 1.00 23.605 42.069 -2.924 1.00 22.974 39.633 -0.220 1.00 22.304 38.372 -2.735 1.00 24.743 40.063 -1.902 1.00 24.341 39.361 -3.488 1.00 25.078 37.263 -1.397 1.00 26.011 36.146 -1.411 1.00 25.610 35.069 -0.412 1.00 25.933 33.901 -0.590 1.00 27.446 36.609 -1.100 1.00 27.489 37.195 0.208 1.00 27.911 37.632 -2.125 1.00 25.243 38.034 -0.765 1.00 26.001 35.669 -2.392 1.00 28.110 35.745 -1.123 1.00 26.896 37.950 0.239 1.00 28.927 37.947 -1.889 1.00 27.890 37.185 -3.119 1.00 27.248 38.496 -2.102 1.00 24.907 35.472 0.641 1.00 24.486 34.532 1.661 1.00 25.570 34.338 2.701 1.00 25.484 33.449 3.539 1.00 24.659 36.446 0.738 1.00 23.588 34.913 2.148 1.00 24.265 33.574 1.193 1.00 26.592 35.184 2.649 1.00 27.723 35.114 3.571 1.00 27.394 35.471 5.020 1.00 26.643 36.408 5.297 1.00 28.859 36.020 3.094 1.00 26.579 35.903 1.940 1.00 28.081 34.085 3.607 1.00 29.693 35.955 3.793 1.00 29.189 35.701 2.105 1.00 28.507 37.049 3.045 1.00 27.974 34.706 5.938 1.00 27.795 34.906 7.375 1.00 28.645 36.112 7.760 1.00 29.867 36.038 7.735 1.00 28.328 33.666 8.099 1.00 27.811 33.305 9.497 1.00 28.725 32.257 10.133 1.00 27.626 34.492 10.436 1.00 28.565 33.953 5.616 1.00 26.748 35.122 7.586 1.00 27.993 32.898 7.404 1.00 Page 92

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


5793 5794 5795 5796 5797 5798 5799 5800 5801 5802 5803 5804 5805 5806 5807 5808 5809 5810 5811 5812 5813 5814 5815 5816 5817 5818 5819 5820 5821 5822 5823 5824 5825 5826 5827 5828 5829 5830 5831 5832 5833 5834 5835 5836 5837 5838 5839 5840 5841 5842 5843 5844 5845 5846 5847 5848 5849 5850 5851 5852 5853 5854 5855

2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB CG CD1 CD2 CE1 CE2 CZ H HA 1HB 2HB HD1 HD2 HE1 HE2 HZ N CA C O CB CG1 CG2 CD1 H HA HB 1HG1 2HG1 1HG2 2HG2 3HG2

LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE


398 398 398 398 398 398 398 398 399 399 399 399 399 399 399 399 399 399 399 399 399 399 399 399 399 399 399 400 400 400 400 400 400 400 400 400 400 400 400 400 400 400 400 400 400 400 400 401 401 401 401 401 401 401 401 401 401 401 401 401 401 401 401


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


5856 5857 5858 5859 5860 5861 5862 5863 5864 5865 5866 5867 5868 5869 5870 5871 5872 5873 5874 5875 5876 5877 5878 5879 5880 5881 5882 5883 5884 5885 5886 5887 5888 5889 5890 5891 5892 5893 5894 5895 5896 5897 5898 5899 5900 5901 5902 5903 5904 5905 5906 5907 5908 5909 5910 5911 5912 5913 5914 5915 5916 5917 5918

1HD1 2HD1 3HD1 N CA C O H 1HA 2HA N CA C O CB CG CD CE NZ H HA 1HB 2HB 1HG 2HG 1HD 2HD 1HE 2HE 1HZ 2HZ 3HZ N CA C O CB CG1 CG2 CD1 H HA HB 1HG1 2HG1 1HG2 2HG2 3HG2 1HD1 2HD1 3HD1 N CA C O CB CG CD1 CD2 H HA 1HB 2HB

ILE ILE ILE GLY GLY GLY GLY GLY GLY GLY LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU


401 401 401 402 402 402 402 402 402 402 403 403 403 403 403 403 403 403 403 403 403 403 403 403 403 403 403 403 403 403 403 403 404 404 404 404 404 404 404 404 404 404 404 404 404 404 404 404 404 404 404 405 405 405 405 405 405 405 405 405 405 405 405


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


5919 5920 5921 5922 5923 5924 5925 5926 5927 5928 5929 5930 5931 5932 5933 5934 5935 5936 5937 5938 5939 5940 5941 5942 5943 5944 5945 5946 5947 5948 5949 5950 5951 5952 5953 5954 5955 5956 5957 5958 5959 5960 5961 5962 5963 5964 5965 5966 5967 5968 5969 5970 5971 5972 5973 5974 5975 5976 5977 5978 5979 5980 5981

HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB CG OD1 OD2 H HA 1HB 2HB N CA C O CB CG CD HA 1HB 2HB 1HG 2HG 1HD 2HD N CA C O CB CG CD NE CZ NH1 NH2 H HA 1HB 2HB 1HG 2HG 1HD 2HD HE 1HH1 2HH1 1HH2 2HH2 N CA C O H 1HA

LEU LEU LEU LEU LEU LEU LEU ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG GLY GLY GLY GLY GLY GLY


405 405 405 405 405 405 405 406 406 406 406 406 406 406 406 406 406 406 406 407 407 407 407 407 407 407 407 407 407 407 407 407 407 408 408 408 408 408 408 408 408 408 408 408 408 408 408 408 408 408 408 408 408 408 408 408 408 409 409 409 409 409 409


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00

ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM TER ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM

5982 5983 5984 5985 5986 5987 5988 5989 5990 5991 5992 5993 5994 5995 5996 5997

2HA N CA C O OXT CB CG CD HA 1HB 2HB 1HG 2HG 1HD 2HD

GLY PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO

A A A A A A A A A A A A A A A A

409 410 410 410 410 410 410 410 410 410 410 410 410 410 410 410

5998 5999 6000 6001 6002 6003 6004 6005 6006 6007 6008 6009 6010 6011 6012 6013 6014 6015 6016 6017 6018 6019 6020 6021 6022 6023 6024 6025 6026 6027 6028 6029 6030 6031 6032 6033 6034 6035 6036 6037 6038 6039 6040 6041 6042 6043

N CA C O CB OG1 CG2 1H 2H 3H HA HB HG1 1HG2 2HG2 3HG2 N CA C O CB OG H HA 1HB 2HB HG N CA C O CB CG1 CG2 CD1 H HA HB 1HG1 2HG1 1HG2 2HG2 3HG2 1HD1 2HD1 3HD1

THR THR THR THR THR THR THR THR THR THR THR THR THR THR THR THR SER SER SER SER SER SER SER SER SER SER SER ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE ILE

B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B

210 210 210 210 210 210 210 210 210 210 210 210 210 210 210 210 211 211 211 211 211 211 211 211 211 211 211 212 212 212 212 212 212 212 212 212 212 212 212 212 212 212 212 212 212 212

PEDF_P1_final_docking_model.txt 26.878 43.663 27.169 1.00 28.766 41.846 28.121 1.00 29.793 41.324 29.025 1.00 29.915 42.122 30.327 1.00 29.736 43.342 30.348 1.00 30.189 41.560 31.351 1.00 31.058 41.371 28.160 1.00 30.557 41.243 26.723 1.00 29.253 42.029 26.760 1.00 29.579 40.301 29.367 1.00 31.609 42.312 28.303 1.00 31.748 40.552 28.411 1.00 31.282 41.662 26.010 1.00 30.407 40.189 26.447 1.00 29.404 43.096 26.542 1.00 28.520 41.653 26.031 1.00 37.066 38.372 38.705 39.297 38.466 37.390 38.389 36.366 37.000 36.491 39.156 39.413 36.551 38.457 39.212 37.442 38.298 38.449 39.736 39.727 38.341 39.302 37.862 37.624 38.478 37.349 39.200 40.854 42.173 42.367 42.798 43.299 43.359 44.635 44.248 40.721 42.305 43.075 43.726 42.340 45.419 44.586 44.859 44.240 43.880 45.266

7.904 8.458 9.732 10.669 8.750 9.613 7.458 7.796 6.983 8.363 7.752 9.248 9.186 7.685 6.805 6.960 9.712 10.863 11.655 12.807 10.389 9.418 8.879 11.574 11.246 9.968 9.146 10.949 11.581 12.321 13.466 10.539 10.007 11.142 8.796 10.029 12.367 9.687 10.816 9.752 10.392 11.472 11.994 8.476 7.984 9.048 Page 96

-5.395 -5.740 -4.983 -5.509 -7.250 -7.639 -8.048 -6.101 -5.011 -4.718 -5.467 -7.456 -7.448 -9.112 -7.762 -7.843 -3.703 -2.805 -2.974 -3.381 -1.368 -1.060 -3.362 -2.871 -0.708 -1.213 -0.145 -2.722 -2.865 -4.187 -4.247 -2.726 -1.292 -3.130 -1.126 -2.350 -2.122 -3.367 -0.660 -0.997 -3.025 -4.166 -2.488 -0.083 -1.756 -1.418

1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


6044 6045 6046 6047 6048 6049 6050 6051 6052 6053 6054 6055 6056 6057 6058 6059 6060 6061 6062 6063 6064 6065 6066 6067 6068 6069 6070 6071 6072 6073 6074 6075 6076 6077 6078 6079 6080 6081 6082 6083 6084 6085 6086 6087 6088 6089 6090 6091 6092 6093 6094 6095 6096 6097 6098 6099 6100 6101 6102 6103 6104 6105 6106

N CA C O CB CG CD OE1 NE2 H HA 1HB 2HB 1HG 2HG 1HE2 2HE2 N CA C O CB CG CD1 CD2 CE1 CE2 CZ H HA 1HB 2HB HD1 HD2 HE1 HE2 HZ N CA C O CB CG OD1 ND2 H HA 1HB 2HB 1HD2 2HD2 N CA C O CB CG CD1 CD2 H HA 1HB 2HB

GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU

B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B

213 213 213 213 213 213 213 213 213 213 213 213 213 213 213 213 213 214 214 214 214 214 214 214 214 214 214 214 214 214 214 214 214 214 214 214 214 215 215 215 215 215 215 215 215 215 215 215 215 215 215 216 216 216 216 216 216 216 216 216 216 216 216

PEDF_P1_final_docking_model.txt 41.977 11.614 -5.260 1.00 42.072 12.227 -6.584 1.00 41.233 13.491 -6.728 1.00 41.630 14.471 -7.348 1.00 41.649 11.220 -7.656 1.00 41.772 11.737 -9.080 1.00 41.399 10.688 -10.111 1.00 40.988 9.577 -9.766 1.00 41.545 11.034 -11.385 1.00 41.513 10.741 -5.123 1.00 43.099 12.544 -6.767 1.00 42.280 10.339 -7.529 1.00 40.612 10.955 -7.449 1.00 41.345 12.687 -9.401 1.00 42.859 11.819 -9.048 1.00 41.317 10.383 -12.110 1.00 41.885 11.945 -11.621 1.00 40.040 13.431 -6.116 1.00 39.204 14.632 -6.092 1.00 39.843 15.791 -5.355 1.00 39.881 16.913 -5.842 1.00 37.847 14.315 -5.462 1.00 36.897 13.612 -6.390 1.00 37.140 13.572 -7.755 1.00 35.759 12.990 -5.900 1.00 36.267 12.926 -8.609 1.00 34.885 12.342 -6.752 1.00 35.140 12.311 -8.108 1.00 39.791 12.620 -5.581 1.00 39.044 14.991 -7.110 1.00 37.977 13.664 -4.598 1.00 37.354 15.235 -5.151 1.00 38.032 14.058 -8.151 1.00 35.557 13.015 -4.829 1.00 36.470 12.903 -9.680 1.00 33.994 11.856 -6.354 1.00 34.451 11.802 -8.781 1.00 40.382 15.464 -4.170 1.00 41.040 16.500 -3.371 1.00 42.180 17.169 -4.111 1.00 42.268 18.386 -4.183 1.00 41.546 15.941 -2.054 1.00 40.455 15.645 -1.062 1.00 39.333 16.153 -1.173 1.00 40.800 14.891 -0.050 1.00 40.313 14.524 -3.836 1.00 40.330 17.296 -3.140 1.00 42.275 15.130 -2.035 1.00 42.033 16.874 -1.771 1.00 40.125 14.653 0.649 1.00 41.738 14.554 0.024 1.00 43.022 16.318 -4.716 1.00 44.134 16.848 -5.508 1.00 43.713 17.667 -6.715 1.00 44.300 18.689 -7.052 1.00 45.033 15.692 -5.965 1.00 45.687 14.887 -4.836 1.00 46.402 13.671 -5.408 1.00 46.661 15.776 -4.076 1.00 42.894 15.333 -4.592 1.00 44.718 17.539 -4.900 1.00 44.289 15.082 -6.476 1.00 45.784 16.024 -6.682 1.00 Page 97

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


6107 6108 6109 6110 6111 6112 6113 6114 6115 6116 6117 6118 6119 6120 6121 6122 6123 6124 6125 6126 6127 6128 6129 6130 6131 6132 6133 6134 6135 6136 6137 6138 6139 6140 6141 6142 6143 6144 6145 6146 6147 6148 6149 6150 6151 6152 6153 6154 6155 6156 6157 6158 6159 6160 6161 6162 6163 6164 6165 6166 6167 6168 6169

HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB CG CD NE CZ NH1 NH2 H HA 1HB 2HB 1HG 2HG 1HD 2HD HE 1HH1 2HH1 1HH2 2HH2 N CA C O CB CG OD1 ND2 H HA 1HB 2HB 1HD2 2HD2 N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2

LEU LEU LEU LEU LEU LEU LEU ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN ASN LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU


216 216 216 216 216 216 216 217 217 217 217 217 217 217 217 217 217 217 217 217 217 217 217 217 217 217 217 217 217 217 217 218 218 218 218 218 218 218 218 218 218 218 218 218 218 219 219 219 219 219 219 219 219 219 219 219 219 219 219 219 219 219 219


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


6170 6171 6172 6173 6174 6175 6176 6177 6178 6179 6180 6181 6182 6183 6184 6185 6186 6187 6188 6189 6190 6191 6192 6193 6194 6195 6196 6197 6198 6199 6200 6201 6202 6203 6204 6205 6206 6207 6208 6209 6210 6211 6212 6213 6214 6215 6216 6217 6218 6219 6220 6221 6222 6223 6224 6225 6226 6227 6228 6229 6230 6231 6232

3HD2 N CA C O CB CG CD1 CD2 CE1 CE2 CZ OH H HA 1HB 2HB HD1 HD2 HE1 HE2 HH N CA C O CB CG CD NE CZ NH1 NH2 H HA 1HB 2HB 1HG 2HG 1HD 2HD HE 1HH1 2HH1 1HH2 2HH2 N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2

LEU TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU


219 220 220 220 220 220 220 220 220 220 220 220 220 220 220 220 220 220 220 220 220 220 221 221 221 221 221 221 221 221 221 221 221 221 221 221 221 221 221 221 221 221 221 221 221 221 222 222 222 222 222 222 222 222 222 222 222 222 222 222 222 222 222


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


6233 6234 6235 6236 6237 6238 6239 6240 6241 6242 6243 6244 6245 6246 6247 6248 6249 6250 6251 6252 6253 6254 6255 6256 6257 6258 6259 6260 6261 6262 6263 6264 6265 6266 6267 6268 6269 6270 6271 6272 6273 6274 6275 6276 6277 6278 6279 6280 6281 6282 6283 6284 6285 6286 6287 6288 6289 6290 6291 6292 6293 6294 6295

2HD2 3HD2 N CA C O CB OG H HA 1HB 2HB HG N CA C O CB CG CD CE NZ H HA 1HB 2HB 1HG 2HG 1HD 2HD 1HE 2HE 1HZ 2HZ 3HZ N CA C O CB H HA 1HB 2HB 3HB N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2

LEU LEU SER SER SER SER SER SER SER SER SER SER SER LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU


222 222 223 223 223 223 223 223 223 223 223 223 223 224 224 224 224 224 224 224 224 224 224 224 224 224 224 224 224 224 224 224 224 224 224 225 225 225 225 225 225 225 225 225 225 226 226 226 226 226 226 226 226 226 226 226 226 226 226 226 226 226 226


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


6296 6297 6298 6299 6300 6301 6302 6303 6304 6305 6306 6307 6308 6309 6310 6311 6312 6313 6314 6315 6316 6317 6318 6319 6320 6321 6322 6323 6324 6325 6326 6327 6328 6329 6330 6331 6332 6333 6334 6335 6336 6337 6338 6339 6340 6341 6342 6343 6344 6345 6346 6347 6348 6349 6350 6351 6352 6353 6354 6355 6356 6357 6358

3HD2 N CA C O CB CG CD1 CD2 CE1 CE2 CZ H HA 1HB 2HB HD1 HD2 HE1 HE2 HZ N CA C O CB CG CD HA 1HB 2HB 1HG 2HG 1HD 2HD N CA C O CB CG CD HA 1HB 2HB 1HG 2HG 1HD 2HD N CA C O CB CG CD OE1 OE2 H HA 1HB 2HB 1HG

LEU PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU


226 227 227 227 227 227 227 227 227 227 227 227 227 227 227 227 227 227 227 227 227 228 228 228 228 228 228 228 228 228 228 228 228 228 228 229 229 229 229 229 229 229 229 229 229 229 229 229 229 230 230 230 230 230 230 230 230 230 230 230 230 230 230


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


6359 6360 6361 6362 6363 6364 6365 6366 6367 6368 6369 6370 6371 6372 6373 6374 6375 6376 6377 6378 6379 6380 6381 6382 6383 6384 6385 6386 6387 6388 6389 6390 6391 6392 6393 6394 6395 6396 6397 6398 6399 6400 6401 6402 6403 6404 6405 6406 6407 6408 6409 6410 6411 6412 6413 6414 6415 6416 6417 6418 6419 6420 6421

2HG N CA C O CB CG CD HA 1HB 2HB 1HG 2HG 1HD 2HD N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB CG1 CG2 H HA HB 1HG1 2HG1 3HG1 1HG2 2HG2 3HG2 N CA C O CB CG CD1 CD2 H HA 1HB 2HB HG

GLU PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL VAL LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU


230 231 231 231 231 231 231 231 231 231 231 231 231 231 231 232 232 232 232 232 232 232 232 232 232 232 232 232 232 232 232 232 232 232 233 233 233 233 233 233 233 233 233 233 233 233 233 233 233 233 234 234 234 234 234 234 234 234 234 234 234 234 234


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


6422 6423 6424 6425 6426 6427 6428 6429 6430 6431 6432 6433 6434 6435 6436 6437 6438 6439 6440 6441 6442 6443 6444 6445 6446 6447 6448 6449 6450 6451 6452 6453 6454 6455 6456 6457 6458 6459 6460 6461 6462 6463 6464 6465 6466 6467 6468 6469 6470 6471 6472 6473 6474 6475 6476 6477 6478 6479 6480 6481 6482 6483 6484

1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB CG CD NE CZ NH1 NH2 H HA 1HB 2HB 1HG 2HG 1HD 2HD HE 1HH1 2HH1 1HH2 2HH2 N CA C O CB CG CD OE1 OE2 H HA 1HB 2HB 1HG 2HG N CA C O CB CG SD CE H HA 1HB 2HB 1HG 2HG 1HE 2HE 3HE N

LEU LEU LEU LEU LEU LEU ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU GLU MET MET MET MET MET MET MET MET MET MET MET MET MET MET MET MET MET CYS


234 234 234 234 234 234 235 235 235 235 235 235 235 235 235 235 235 235 235 235 235 235 235 235 235 235 235 235 235 235 236 236 236 236 236 236 236 236 236 236 236 236 236 236 236 237 237 237 237 237 237 237 237 237 237 237 237 237 237 237 237 237 238


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


6485 6486 6487 6488 6489 6490 6491 6492 6493 6494 6495 6496 6497 6498 6499 6500 6501 6502 6503 6504 6505 6506 6507 6508 6509 6510 6511 6512 6513 6514 6515 6516 6517 6518 6519 6520 6521 6522 6523 6524 6525 6526 6527 6528 6529 6530 6531 6532 6533 6534 6535 6536 6537 6538 6539 6540 6541 6542 6543 6544 6545 6546 6547

CA C O CB SG H HA 1HB 2HB HG N CA C O CB CG CD CE NZ H HA 1HB 2HB 1HG 2HG 1HD 2HD 1HE 2HE 1HZ 2HZ 3HZ N CA C O CB CG CD OE1 NE2 H HA 1HB 2HB 1HG 2HG 1HE2 2HE2 N CA C O H 1HA 2HA N CA C O CB CG CD1

CYS CYS CYS CYS CYS CYS CYS CYS CYS CYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS LYS GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLN GLY GLY GLY GLY GLY GLY GLY TYR TYR TYR TYR TYR TYR TYR


238 238 238 238 238 238 238 238 238 238 239 239 239 239 239 239 239 239 239 239 239 239 239 239 239 239 239 239 239 239 239 239 240 240 240 240 240 240 240 240 240 240 240 240 240 240 240 240 240 241 241 241 241 241 241 241 242 242 242 242 242 242 242


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


6548 6549 6550 6551 6552 6553 6554 6555 6556 6557 6558 6559 6560 6561 6562 6563 6564 6565 6566 6567 6568 6569 6570 6571 6572 6573 6574 6575 6576 6577 6578 6579 6580 6581 6582 6583 6584 6585 6586 6587 6588 6589 6590 6591 6592 6593 6594 6595 6596 6597 6598 6599 6600 6601 6602 6603 6604 6605 6606 6607 6608 6609 6610

CD2 CE1 CE2 CZ OH H HA 1HB 2HB HD1 HD2 HE1 HE2 HH N CA C O CB CG CD NE CZ NH1 NH2 H HA 1HB 2HB 1HG 2HG 1HD 2HD HE 1HH1 2HH1 1HH2 2HH2 N CA C O CB CG OD1 OD2 H HA 1HB 2HB N CA C O H 1HA 2HA N CA C O CB CG

TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR TYR ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP ASP GLY GLY GLY GLY GLY GLY GLY LEU LEU LEU LEU LEU LEU


242 242 242 242 242 242 242 242 242 242 242 242 242 242 243 243 243 243 243 243 243 243 243 243 243 243 243 243 243 243 243 243 243 243 243 243 243 243 244 244 244 244 244 244 244 244 244 244 244 244 245 245 245 245 245 245 245 246 246 246 246 246 246


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00


6611 6612 6613 6614 6615 6616 6617 6618 6619 6620 6621 6622 6623 6624 6625 6626 6627 6628 6629 6630 6631 6632 6633 6634 6635 6636 6637 6638 6639 6640 6641 6642 6643 6644 6645 6646 6647 6648 6649 6650 6651 6652 6653 6654 6655 6656 6657 6658 6659 6660 6661 6662 6663 6664 6665 6666 6667 6668 6669 6670 6671 6672 6673

CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2 N CA C O CB CG CD NE CZ NH1 NH2 H HA 1HB 2HB 1HG 2HG 1HD 2HD HE 1HH1 2HH1 1HH2 2HH2 N CA C O CB CG CD1 CD2 CE1 CE2 CZ H HA 1HB 2HB HD1 HD2 HE1 HE2 HZ N CA C O OXT CB

LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE PHE LEU LEU LEU LEU LEU LEU


246 246 246 246 246 246 246 246 246 246 246 246 246 247 247 247 247 247 247 247 247 247 247 247 247 247 247 247 247 247 247 247 247 247 247 247 247 248 248 248 248 248 248 248 248 248 248 248 248 248 248 248 248 248 248 248 248 249 249 249 249 249 249


0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00

ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM ATOM TER

6674 6675 6676 6677 6678 6679 6680 6681 6682 6683 6684 6685 6686 6687

CG CD1 CD2 H HA 1HB 2HB HG 1HD1 2HD1 3HD1 1HD2 2HD2 3HD2

LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU LEU

B B B B B B B B B B B B B B

249 249 249 249 249 249 249 249 249 249 249 249 249 249

PEDF_P1_final_docking_model.txt 54.217 18.660 -16.074 1.00 54.594 18.990 -14.636 1.00 54.926 17.396 -16.541 1.00 50.172 18.436 -16.153 1.00 52.103 20.115 -14.933 1.00 52.339 17.839 -15.378 1.00 52.446 18.010 -17.145 1.00 54.495 19.468 -16.753 1.00 55.674 19.124 -14.565 1.00 54.094 19.909 -14.331 1.00 54.287 18.173 -13.983 1.00 56.005 17.534 -16.460 1.00 54.619 16.556 -15.920 1.00 54.664 17.195 -17.580 1.00

Page 107

0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00

PEDF_P1_final_docking_model.txt - Notepad

PEDF_P1_final_docking_model.txt - Notepad

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