S1 Table. - PLOS

S1 Table. Peptides identified in each isolated wheat gluten protein type. Peptide sequences, their scores, m/z ratios, charge states and relative molecular weights (Mr). For corresponding protein sequences, see S5 Table. Abbreviation HG.1 HG.2 HG.3 HG.4 HG.5 HG.6 HG.7 HG.8 HG.9 HG.10 HG.11 HG.12 HG+HS.1 HG.13 HG.14 HG.15 HG.16 HG.17 HG+HS.2 HG.18 HG.19 HG.20 HG.21 HG.22 HG.23 HG.24 HG.25 HG+HS.3 HG.26 HG.27 HG.28 HG.29 HG.30 HG.31 HG.32 HG.33 HG.34 HG.35 HG.36 HG.37 HG.38 HG.39 HG.40

Gluten protein type Peptide sequence HMW-GS YPTSLQQTGQGQQSGQGQQGYY LQPGQGQQGY YPGQASSQRPGQGQQPGQGQQEY QQTGQGQQSGQGQQGYY QPEQLQQPTQGQQRQQPGQGQQL WQPGQGQQGY YLTSPQQSGQW YLSVTSPQQVSY SSSLQQPGQGLQGHYPASL TASLQQPGQGQQGHYPASL YPGQASSQRPGQGQQPGQGQQEYY QLGQGQQGY QQPGQGQQPGQW LQPGQGQQGYYPTSL YYPTSPQESGQGQQPGQW STSLQQPGQGQQGHYPASL QQTGQGQQSGQGQQGY SQPRQGQQGY HVSAEHQAASL LSVTSPQQVSY SSYHVSVEHQAASL QQPGQGQPGYY TTSLQQSGQGQQGY QQPGQGQQGHYPASL QQPGQGQQGHY HQSGQGQQGYYPSTL KRYYPSVTSPQQVSY HVSVEHQAASL TASLQQPGQGQQGHYPASLQQVGQGQQIGQL QQPGQWQQPGQGQPGYY QQSGQGQPGYYPTSL GTSSQTVQGYYPSVSSPQQGPY HQSGQGQQGYYPSSL EQQPVVPSKAGSFYPSETTPSQQL YPSITSPQQVSY KACQQVMDQQLRDISPECHPVVVSPVAGQY QQSGQGQHGYYPTSPQLSGQGQRPGQW YPGQASPQQPGQGQQPGKW EQTVVPPKGGSFYPGETTPL EQQIVVPPKGGSFYPGETTPPQQL QQSGQGQQGYYPTSPQQSGQGQQPGQW QQSGQGQQGHYPTSLQQPGQGQQGHY LQPGQGQQGYYPTSPQQPGQGQQL

1

Peptide score 62 58 56 56 55 54 53 51 51 46 46 43 42 41 41 41 41 40 40 39 39 38 36 35 35 34 34 33 33 32 30 30 29 26 25 25 23 22 20 20 19 18 16

m/z (charge state) 802.49 (+3) 538.16 (+2) 826.32 (+3) 921.92 (+2) 877.73 (+3) 574.72 (+2) 647.78 (+2) 686.69 (+2) 652.60 (+3) 656.94 (+3) 880.43 (+3) 489.71 (+2) 669.79 (+2) 819.26 (+2) 1019.84 (+2) 992.96 (+2) 840.61 (+2) 574.72 (+2) 575.34 (+2) 604.73 (+2) 757.95 (+2) 611.76 (+2) 741.88 (+2) 798.39 (+2) 798.39 (+2) 825.85 (+2) 902.29 (+2) 589.34 (+2) 1078.65 (+3) 974.29 (+2) 805.97 (+2) 1160.03 (+2) 818.88 (+2) 1303.66 (+2) 686.69 (+2) 1108.59 (+3) 986.61 (+3) 1020.20 (+2) 702.39 (+3) 866.87 (+3) 979.64 (+3) 942.45 (+3) 863.56 (+3)

Mr

2403.08 1074.52 2475.12 1841.80 2629.30 1147.51 1293.61 1370.68 1953.96 1966.96 2638.19 977.46 1337.62 1635.80 2036.89 1982.95 1678.74 1147.54 1148.56 1207.62 1513.72 1221.55 1481.68 1594.76 1226.55 1649.75 1801.91 1176.60 3231.61 1945.88 1609.74 2317.06 1635.74 2604.28 1368.66 3324.61 2956.37 2037.97 2103.06 2596.32 2934.30 2823.28 2584.24

ω5-gliadins ω5.1 QQYPQQQPSGSDVISISGL ω5.2 QQYPQQQPSGSNVISISGL ω5.3 QTPQEQFPQEQFPEPQQILQQQF ω5.4 SPRGMELQTPQEQFPQEQFPEPQQILQQQF ω5.5 SPRGMELQTPQEQFPQEQFPEPQQIL ω5.6 HQQQLPQQQFPQQQFPQQQFPQQQQFPQQQQL ω1,2-gliadins ωg.1 ARELNPSNKELQSPQQSF ωg+ωs.1 GQQPEQIISQRPQQPFPLQPQQQF ωg.2 GSSLTSIGGQ ωg+ωs.2 GEQPEQIISQRPQQPFPLQPQQPF ωg+ωs.3 AQQPEQIISQQPFPLQPQQPF ωg+ωs.4 AQQPEQLISQQPFPLQPQQPF ωg.3 QQPQQQL ωg+ωs.5 GQQPEQIISQRPQQPFPLQPKQPF ωg+ωs.6 GQQPEQIISQRPQQPFPLQPQQPF ωg.4 LRQSQQPF ωg+ωs.7 GQQPMQIISQRPQQPFPLQPQQPF ωg.5 AQQPEQIISHQPFPLQPQQPF ωg+ωs.8 SLQPQQPVPQQPQRPF ωg+ωs.9 SQPQQPFPQQPGQIIPEQPQQPSPLQPQQPF ωg.6 YQPQQPFPQQPGQIIPQQPQQPSPLQPQQPF ωg.7 FPHQSQQPF ωg.8 SQQPQRPQQPFPQQPQQIIPPQPQQPF ωg.9 SQPQQPF ωg.10 LQQPQQPSPQPQQVVQIIPQQPQQPFPL ωg.11 GRQPEQIISQRPQQPFPLQPQQPF ωg+ωs.10 SQPQQPFPQQPGQIIPQQPQQPSPLQPQQPF ωg+ωs.11 SQPQQPFPQQPGQIIPKQPQQPSPLQPQQPF ωg+ωs.12 GQQPEQIISRRPQQPFPLQPQQPF ωg.12 SQQPEQTISQQPQQPFPQQPHQPQQPYPQQQPY α-gliadins α.1 GSSQVLQQSTY α.2 FQPSQQNPQAQGF α.3 RQQQKQQQQPSSQVSF α.4 LQLQPFPQPQLPYPQPQPF α.5 LQLQPFPQPQLPY α.6 RPQQPYPQPQPQY α.7 LQLQPFPQPQLPYPQPQLPYPQPQPF α.8 QQPQQQYPLGQGSF α.9 MQLQPFPQPQLPYPQPQLPYPQPQPF α.10 QQPQQQYPSGQGF α.11 LGQQQPFPPQQPYPQPQPFPSQQPY α.12 IGQQQPFPPQQPYPQPQPFPSQQPY α.13 LGQEQPFPPQQPYPQPQPFPSQQPY α.14 VQQQQFPGRQQPFAPQQPYPQPQPFPSQQPY α.15 RGQQQPFPPQQPYPQPQPFPSQQPY α.16 LGQQQPFTPQQPYPQPQPFPSQQPY α.17 HQQRQQPSSQVSF 2

53 33 33 32 27 15

677.95 (+3) 677.95 (+3) 948.38 (+3) 1205.20 (+3) 1028.40 (+3) 1340.10 (+3)

2031.00 2030.01 2842.36 3612.74 3081.49 4015.95

53 50 48 44 43 43 42 39 37 36 34 33 32 30 29 26 23 23 22 22 18 17 17 15

1036.76 (+2) 950.27 (+3) 453.58 (+2) 939.61 (+3) 1224.98 (+2) 1224.98 (+2) 435.11 (+2) 939.77 (+3) 1408.84 (+2) 502.16 (+2) 938.83 (+3) 820.08 (+3) 937.78 (+2) 1173.74 (+3) 1199.47 (+3) 558.10 (+2) 1064.69 (+2) 831.70 (+1) 1072.63 (+3) 950.27 (+3) 1173.74 (+3) 1173.95 (+3) 949.97 (+3) 1314.06 (+3)

2072.04 2846.45 905.45 2816.43 2448.25 2448.25 868.45 2815.48 2815.45 1002.53 2817.45 2457.25 1873.99 3518.77 3593.81 1114.53 3191.63 830.40 3215.72 2843.49 3517.78 3517.82 2843.49 3939.86

63 57 56 52 52 45 45 39 37 36 35 35 33 31 30 28 27

599.15 (+2) 738.70 (+2) 644.59 (+3) 784.80 (+2) 784.80 (+2) 813.71 (+2) 1029.75 (+3) 803.16 (+2) 1035.76 (+3) 746.68 (+2) 974.63 (+3) 974.63 (+3) 974.63 (+3) 1222.66 (+3) 988.86 (+3) 974.63 (+3) 519.53 (+3)

1196.57 1475.69 1930.97 2262.19 1567.85 1625.80 3085.61 1604.77 3103.57 1491.68 2921.42 2921.42 2922.41 3665.79 2964.44 2925.42 1555.75

α.18 α.19 α.20 α.21 α.22 α.23 α.24 α.25 α.26 α.27 α.28 α.29 α.30 α.31 LG.1 LG.2 LG.3 LG.4 γg.1 γg.2 γg.3 γg.4 γg.5 γg.6 γg.7 γg.8 γg.9 γg.10 γg.11 LG.1 LG.2 LG.3 LG.5 LG.6 LG.7 LG.8 LG.9 LG.10 LG.11 LG.1 LG.12 LG.13 LG.14 LG.15 LG.16 LG.17 LG.18 LG.19

LQLQPFPQPQLPYPQPQLPYPQPQLPYPQPQPF LGQQQTFPPQQPYPQPQPFPSQQPY VRVPVPQLQPQNPSQQQPQEQVPL VQQQQFVGQQQPFPPQQPYPQPQPFPSQQPY QQPQQQYPSGQGFFQPSQQNPQAQGF LGQQQQQFPGQQQPFPPQQPYPQPQPF VQEQQFPGQQQPFPPQQPYPQPQPFPSQQPY QQPQQQYPSGQGSFQPSQQNPQAQGF NGQQQPFPPQQPYPQPQPFPSQQPY LGQQQPFPPQQPYPQPQFPSQLPYL VQQQQFPGQQQPFPPQQPYPQPQPFPSQQPY LQLQPFPQPQLPYPHPQLPYPQPQPF VRVTVPQLQPQNPSQQQPQEQVPL LQLQPFPQTQLPY LMW-GS within α-gliadins SHHQQQQPIQQQPQPF SQQQQIVL VLPQQQIPF GVGTGVGSY γ-gliadins LQPQQPQQSFPQQQQPL NIQVDPSGQVQW QLVQGQGIIQPQQPAQY ANIDAGIGGQ FQLVQGQGIIQPQQPAQY ASIVAGIGGQ SQQPQQAF NIQVDPSGQVQWPQQQPFPQPQPF SQQQQVGQGSLVQGQGIIQPQQPAQL QVQWPQQQPFPQPQQPF RQPQQPF LMW-GS within γ-gliadins SHHQQQQPIQQQPQPF SQQQQIVL VLPQQQIPF LMW-GS SIILQEQQQGF QQQLGKQPQQQQL QQQLGQQPQQQKL QQQLGQQPQQQQL GQQPQQQQLAQGTF SIVLQEQQHGQGL SQQQPPFSQQQQQPL SHHQQQQPIQQQPQPF QQPQQQLGQQPQQQQQQVL SIVLQEQQHGQGF QQPQQQLGQQPQQQQVQKGTF VQPQQQQPQQSVQGVY GKQPQQQQL GQQPQQQKL GQQPQQQQL LQPHQIAQLEVMNSIAL 3

27 26 26 25 23 23 23 23 22 21 20 21 16 15 56 31 29 20 67 54 48 45 43 42 42 42 38 29 25

1304.40 (+3) 974.63 (+3) 912.53 (+3) 1222.27 (+3) 984.15 (+3) 1054.99 (+3) 1222.33 (+3) 964.16 (+3) 974.96 (+3) 974.63 (+3) 1222.27 (+3) 1032.72 (+3) 912.53 (+3) 784.89 (+2)

3909.04 2925.42 2733.46 3665.78 2949.35 3162.54 3664.74 2889.31 2922.38 2922.48 3663.76 3094.61 2737.46 1571.84

652.53 (+3) 1954.95 943.20 (+1) 942.52 535.17 (+2) 1068.60 796.13 (+1) 795.38 1010.32 (+2) 685.74 (+2) 632.75 (+3) 915.29 (+1) 681.65 (+3) 436.72 (+2) 467.13 (+2) 930.65 (+3) 915.95 (+3) 1054.77 (+2) 450.64 (+2)

2019.02 1369.67 1895.00 914.45 2042.07 871.48 932.44 2789.36 2744.43 2107.03 899.47

56 46 35

652.45 (+3) 1954.95 943.45 (+1) 942.52 535.25 (+2) 1068.60

68 65 65 65 63 61 56 56 55 53 51 50 45 45 45 44

645.90 (+2) 776.36 (+2) 776.36 (+2) 776.36 (+2) 779.94 (+2) 718.92 (+2) 885.31 (+2) 652.80 (+3) 754.33 (+3) 736.22 (+2) 1227.1 (+2) 921.88 (+2) 527.74 (+2) 527.74 (+2) 527.74 (+2) 953.19 (+2)

1289.67 1550.82 1550.82 1550.79 1557.76 1435.75 1767.86 1954.95 2259.14 1469.73 2451.23 1842.91 1053.56 1053.56 1053.56 1904.03

LG.20 LG.21 LG.22 LG.23 LG.3 LG.24 LG.25 LG.26 LG.27 LG.28 LG.29 LG+B LG.31 LG.32 LG.33 LG.34 LG.35 LG.36 LG.37 LG.38 LG.39 LG.40 LG.41 α.32 α.2 α.33 α.10 α.34 α.35

SILVQEQQHGQGL QQPQQQLGQQPQEQQVQQGTF QQQPLPPQQTFPQQPL SIILQQQQQQQQQQQGQSIIQY VLPQQQIPF SHIPGLERPSQQQPLPPQQTL SQQQQIPVIHPSVL LQPHQIAQLEVMTSIAL LQPHKIAQLEVMTSIAL SQQQQPPFSQQQPPF SQIPEQSRY LQPHQIAQL LQPHKIAQL DAIRAIIY EAIRAIIFSIILQEQQQGF SQHQQPVLPQQQIPY IQVDPSGQVQWPQQQQPFPQPQQPF SQQQPPFSQQQQPPF VQQQLPVVQPSIL VQQQIPVVQPSIL SIILQQQQQQQQQQQQQQGQSIIQY TQQQPPFSQQPPISQQQQQQQQQQQPF SQQQQPPFSQQQPPFSQQQQQPL α-gliadins within LMW-GS QQQQQQQQQQQIL FQPSQQNPQAQGF VQPQQLPQFEEIRNL QQPQQQYPSGQGF QQPNIAHASSQVSQQSY QQPNIAHASSKVSQQSY

4

44 44 41 41 37 37 35 35 35 33 33 32 32 31 27 26 25 23 23 23 23 22 19

718.92 (+2) 818.47 (+3) 938.44 (+2) 882.21 (+3) 535.31 (+2) 784.65 (+3) 525.31 (+3) 946.59 (+2) 946.59 (+2) 886.86 (+3) 554.28 (+2) 524.31 (+2) 524.31 (+2) 467.77 (+2) 735.84 (+3) 895.07 (+2) 978.39 (+3) 885.31 (+2) 725.27 (+2) 725.27 (+2) 1010.32 (+3) 1079.74 (+3) 1355.76 (+2)

1435.75 2452.18 1873.98 2642.35 1068.60 2350.25 1572.87 1891.03 1891.07 1770.84 1106.54 1046.59 1046.63 933.53 2203.21 1789.92 2931.44 1770.84 1447.85 1447.85 3026.52 3234.55 2708.30

78 48 41 33 33 33

827.72 (+2) 738.95 (+2) 920.46 (+2) 746.80 (+2) 937.28 (+2) 937.28 (+2)

1652.83 1475.69 1837.98 1491.68 1871.88 1871.92