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Chains PDB ID Seq. ID cutoff (%) Target Template Seq. ID (%) RMSD ( ËA). 3 1a0r. 71 1a0r-B. 2pbi-B 52.2. 2.1. 1a0r-G. 5he3-G 41.7. 1.9. 1a0r-P. 1b9x-C 70.5.

S7 Table: Summary of the unbound structures and template structures used for modeling subunit structures Chains 3

PDB ID 1a0r

Seq. ID (%)

˚ RMSD (A)

2pbi-B 5he3-G 1b9x-C 2pbi-B 5he3-G 2dbc-A 2ymu-B 5he0-G 2dbc-A

52.2 41.7 70.5 52.2 41.7 30.7 30.2 37.1 30.7

2.1 1.9 7.4 2.1 1.9 2.4 2.9 9.9 2.4

1es7-A 1es7-B 1es7-C 1es7-D 1es7-A 1es7-B 1es7-C 1es7-D 1es7-A 1es7-B 1es7-C 1es7-D 1es7-A 1es7-B 1es7-C 1es7-D 1es7-A 1es7-B 1es7-C 1es7-D

4uhz-A 2k3g-A 4uhz-A 2k3g-A 4mid-A 2qja-D 4mid-A 2qja-D 4mid-A 3evs-C 4mid-A 4evs-C 1m4u-L 3evs-C 1m4u-L 3evs-C 5tx6-B 3evs-C 5tx6-B 3evs-C

100.0 100.0 100.0 100.0 79.8 87.6 79.8 87.6 79.8 55.3 79.8 55.3 58.7 55.3 58.7 55.3 28.9 55.3 28.9 55.3

1.3 2.0 1.5 2.3 1.1 0.7 1.1 0.7 1.1 1.3 1.1 1,3 0.8 1.3 0.8 1.3 9.3 1.3 9.3 1.3

2qsp-A 2qsp-B 2qsp-C 2qsp-D 88 2qsp-A 2qsp-B 2qsp-C 2qsp-D

1bz1-C 3cy5-D 1bz1-C 3cy5-D 1bz1-C 3fh9-B 1bz1-C 3fh9-B

87.9 98.6 87.9 98.6 87.9 85.4 87.9 85.4

0.6 0.5 0.7 0.7 0.6 0.9 0.7 0.9

Seq. ID cutoff (%)

Target

Template

71

1a0r-B 1a0r-G 1a0r-P 1a0r-B 1a0r-G 1a0r-P 1a0r-B 1a0r-G 1a0r-P

53

38

4

1es7

U(4uhz, 2k3g)

88

80

59

56

2qsp

99

S7 Table: cont’d Chains

PDB ID

Seq. ID cutoff (%)

Target 3fh6-A 3fh6-B 3fh6-F 3fh6-G

4

3fh6

89

5

1w88

51

6

1du3

Seq. ID (%)

˚ RMSD (A)

2awn-A 88.7 2awn-A 88.7 4xtc-M 27.8 3fh6-I 89.1

4.6 4.5 6.9 2.4

1w88-A 1w88-B 1w88-C 1w88-D 1w88-I 49 1w88-A 1w88-B 1w88-C 1w88-D 1w88-I

1umd-A 1umd-D 1umd-A 1umd-D 4qoy-F 1umd-A 1qs0-B 1umd-A 1qs0-B 4qoy-F

40.8 50.9 40.8 50.9 48.7 40.8 46.1 40.8 46.1 48.7

3.3 1.1 3.3 1.1 0.6 3.3 1.3 3.3 1.3 0.6

89

1du3-A 1du3-B 1du3-C 1du3-D 1du3-E 1eu3-F 1du3-A 1du3-B 1du3-C 1du3-D 1du3-E 1eu3-F 1du3-A 1du3-B 1du3-C 1du3-D 1du3-E 1eu3-F

1za3-R 1za3-R 1za3-R 1d2q-B 1d2q-B 1d2q-B 5cir-G 5cir-G 5cir-G 3urf-A 3urf-A 3urf-A 4mxw-R 4mxw-R 4mxw-R 3urf-A 3urf-A 3urf-A

88.3 88.3 88.3 83.2 83.2 83.2 66.3 66.3 66.3 35.1 35.1 35.1 39.7 39.7 39.7 35.1 35.1 35.1

1.5 4.3 1.5 3.9 3.0 4.0 0.8 1.2 1.1 2.3 2.4 2.3 3.2 3.3 3.3 2.3 2.4 2.3

1rlb-A 1rlb-B 1rlb-C 1rlb-D 1rlb-E 1rlb-F

2nbo-A 2nbo-A 2nbo-A 2nbo-A 1kt3-A 1kt3-A

97.6 97.6 97.6 97.6 99.4 99.4

11.3 11.3 11.3 11.3 0.9 0.9

67

40

1rlb

Template

U(2nbo, 1kt3)

S7 Table: cont’d Chains 6

PDB ID 1s5b

˚ RMSD (A)

1lt4-A 1ltr-H 1ltr-H 1ltr-H 1ltr-H 1ltr-H 1tii-A 1ltr-H 1ltr-H 1ltr-H 1ltr-H 1ltr-H

87.2 85.0 85.0 85.0 85.0 85.0 60.4 85.0 85.0 85.0 85.0 85.0

1.0 0.5 0.5 0.5 0.5 0.5 0.7 0.5 0.5 0.5 0.5 0.5

2z1c-A 2z1d-A 2zle-A 2z1c-A 2z1d-A 2z1e-A

100.0 99.7 100.0 100.0 100.0 100.0

0.9 1.0 3.5 3.5 3.5 3.5

Target

Template

88

1s5b-A 1s5b-D 1s5b-E 1s5b-F 1s5b-G 1s5b-H 1s5b-A 1s5b-D 1s5b-E 1s5b-F 1s5b-G 1s5b-H 3vyt-A 3vyt-B 3vyt-C 3vyt-D 3vyt-E 3cyt-F

85

7

Seq. ID (%)

Seq. ID cutoff (%)

3vyt

U(2zlc, 2zld, 2zle)

3uku

90

3uku-A 3dwul-B 58.4 5.7 3uku-B 3ule-B 89.4 0.5 3uku-C 3dwl-H 40.5 2.8 3uku-D 3dwl-I 45.9 3.0 3uku-E 3dwl-J 33.1 12.5 3uku-F 3dwl-K 69.1 0.7 3uku-F 3dwl-G 88.8 4.4 70 3uku-A 3dwl-B 58.6 5.7 3uku-B 4efh-A 47.1 2.4 3uku-C 3dwl-H 40.5 2.8 3uku-D 3dwl-I 45.9 3.0 3uku-E 3dwl-J 33.1 12.5 3uku-F 3dwl-K 69.1 0.7 3uku-F 3dwl-L 33.3 1.9 Unbound structures and template structures used for structure modeling for unbound/modeled targets in Table 3. For a complex target, multiple combinations of templates were used if available. Seq. ID cutoff (%) shows the highest sequence identity between the templates and their native subunits in the model set. RMSD shows the global RMSD of a model to the bound form of the subunit.