A0A059R4W0_HUMAN Loading...

NADH-ubiquinone oxidoreductase chain 1

AlphaFold DB , UniProt , Accession A0A059R4W0, Species HUMAN (Homo sapiens, Human), Gene ND1, Length 318 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M63.6Low88.6Confident184 Ų18488.4 Ų88.491%0.90649%0.485SS*.  0-49.40-61.7-47.5-153.200114.3M3 A4 N5M1-M3 PolarHBondContact O-N 3.05Å; M1-A4 PolarHBondContact O-N 3.3Å; M1-N5 PolarHBondContact O-N 3.4Å; M1-N5 VanDerWaalsContact O-N 3.13Å
2P78.4Confident89.2Confident108 Ų10886.7 Ų86.770%0.70148%0.481SS*.Hα-helixtrans-65.3-39.6-177.224.8-33.4000113.1A4 N5 L6P2-A4 VanDerWaalsContact C-N 3.34Å; P2-A4 PolarHBondContact O-N 2.94Å; P2-N5 PolarHBondContact O-N 3.07Å; P2-L6 PolarHBondContact O-N 3.14Å
3M87.7Confident89.6Confident119 Ų11980.9 Ų80.959%0.58645%0.449SS*.Hα-helixtrans-65.8-36177-170.162.2-172.600112.8M1 L6 L7M1-M3 PolarHBondContact O-N 3.05Å; M3-L6 HydrophobicContact CE-CD2 4.3Å; M3-L6 PolarHBondContact O-N 2.97Å; M3-L6 HydrophobicContact SD-CD2 4.2Å; M3-L7 HydrophobicContact CE-CD1 4.37Å; M3-L7 HydrophobicContact CE-CD2 4.35Å; M3-L7 HydrophobicContact CE-CG 4.23Å; M3-L7 HydrophobicContact CG-CD1 4.44Å; M3-L7 WeakPolarHBondContact O-CG 3.31Å; M3-L7 PolarHBondContact O-N 3.18Å
4A92.1Very high90Very high45 Ų4579 Ų7937%0.37244%0.437SS..Hα-helixtrans-66.1-43.9176.700000110.9M1 P2 L6 L7 L8M1-A4 PolarHBondContact O-N 3.3Å; P2-A4 VanDerWaalsContact C-N 3.34Å; P2-A4 PolarHBondContact O-N 2.94Å; A4-L6 VanDerWaalsContact C-N 3.33Å; A4-L6 PolarHBondContact O-N 3.05Å; A4-L7 PolarHBondContact O-N 2.85Å; A4-L8 WeakPolarHBondContact O-CB 3.49Å; A4-L8 VanDerWaalsContact O-CG 3.27Å; A4-L8 WeakPolarHBondContact O-CG 3.37Å; A4-L8 PolarHBondContact O-N 3.33Å
5N91.6Very high90.3Very high88 Ų8879.1 Ų79.147%0.47144%0.436SS..Hα-helixtrans-62.7-39.7175.7-69.53.5000112.1M1 P2 L8 L9 L95M1-N5 PolarHBondContact O-N 3.4Å; M1-N5 VanDerWaalsContact O-N 3.13Å; P2-N5 PolarHBondContact O-N 3.07Å; N5-L8 PolarHBondContact O-N 3.34Å; N5-L9 PolarHBondContact O-N 3.16Å; N5-L95 HydrophobicContact CB-CD1 3.68Å
6L92.4Very high90.6Very high63 Ų6377.1 Ų77.133%0.3343%0.433SS..Hα-helixtrans-63.4-42.9176.1-178.7141.1000111.8P2 M3 A4 L9 I10P2-L6 PolarHBondContact O-N 3.14Å; M3-L6 HydrophobicContact CE-CD2 4.3Å; M3-L6 PolarHBondContact O-N 2.97Å; M3-L6 HydrophobicContact SD-CD2 4.2Å; A4-L6 VanDerWaalsContact C-N 3.33Å; A4-L6 PolarHBondContact O-N 3.05Å; L6-L9 PolarHBondContact O-N 2.86Å; L6-I10 HydrophobicContact CD2-CD1 3.48Å; L6-I10 VanDerWaalsContact CD2-CD1 3.48Å; L6-I10 HydrophobicContact CG-CD1 3.85Å; L6-I10 WeakPolarHBondContact O-CG1 3.39Å; L6-I10 PolarHBondContact O-N 2.95Å
7L92.8Very high90.9Very high87 Ų8772.9 Ų72.946%0.45541%0.409SS..Hα-helixtrans-65.5-40.9174.9-72.2169.6000112M3 A4 L9 I10 V11M3-L7 HydrophobicContact CE-CD1 4.37Å; M3-L7 HydrophobicContact CE-CD2 4.35Å; M3-L7 HydrophobicContact CE-CG 4.23Å; M3-L7 HydrophobicContact CG-CD1 4.44Å; M3-L7 WeakPolarHBondContact O-CG 3.31Å; M3-L7 PolarHBondContact O-N 3.18Å; A4-L7 PolarHBondContact O-N 2.85Å; L7-L9 PolarHBondContact O-N 2.96Å; L7-I10 PolarHBondContact O-N 3.11Å; L7-V11 WeakPolarHBondContact O-CB 3.4Å; L7-V11 WeakPolarHBondContact O-CG2 3.2Å; L7-V11 PolarHBondContact O-N 3.44Å
8L93.6Very high91Very high126 Ų12669.9 Ų69.966%0.6639%0.394SS*.Hα-helixtrans-66.1-20.5175.3-73.1167.9000113.1A4 N5 P12A4-L8 WeakPolarHBondContact O-CB 3.49Å; A4-L8 VanDerWaalsContact O-CG 3.27Å; A4-L8 WeakPolarHBondContact O-CG 3.37Å; A4-L8 PolarHBondContact O-N 3.33Å; N5-L8 PolarHBondContact O-N 3.34Å; L8-P12 WeakPolarHBondContact O-CD 3.34Å; L8-P12 WeakPolarHBondContact O-CG 3.36Å
9L93.3Very high91.2Very high36 Ų3669.6 Ų69.619%0.18839%0.389CS..Hα-helixtrans-82.3-54.6170.8-17769.2000110.9N5 L6 L7 P12 I13 W86 L95N5-L9 PolarHBondContact O-N 3.16Å; L6-L9 PolarHBondContact O-N 2.86Å; L7-L9 PolarHBondContact O-N 2.96Å; L9-P12 WeakPolarHBondContact O-CD 3.28Å; L9-I13 HydrophobicContact CD1-CD1 3.86Å; L9-I13 HydrophobicContact CG-CD1 3.74Å; L9-I13 WeakPolarHBondContact O-CD1 3.32Å; L9-I13 WeakPolarHBondContact O-CG1 3.31Å; L9-I13 PolarHBondContact O-N 2.91Å; L9-W86 HydrophobicContact CD2-CB 4.26Å; L9-L95 HydrophobicContact CD2-CB 4.25Å; L9-L95 HydrophobicContact CD2-CD2 3.88Å
10I94.4Very high91.4Very high43 Ų4366.8 Ų66.822%0.22137%0.373CS..Hα-helixtrans-68.8-43-169.7-65.1172.3000112.1L6 L7 I13 L14 L83L6-I10 HydrophobicContact CD2-CD1 3.48Å; L6-I10 VanDerWaalsContact CD2-CD1 3.48Å; L6-I10 HydrophobicContact CG-CD1 3.85Å; L6-I10 WeakPolarHBondContact O-CG1 3.39Å; L6-I10 PolarHBondContact O-N 2.95Å; L7-I10 PolarHBondContact O-N 3.11Å; I10-I13 PolarHBondContact O-N 3.03Å; I10-L14 HydrophobicContact CG2-CD1 3.93Å; I10-L14 HydrophobicContact CG2-CG 4.33Å; I10-L14 WeakPolarHBondContact O-CG 3.04Å; I10-L14 PolarHBondContact O-N 3.19Å; I10-L83 HydrophobicContact CG2-CD1 4.14Å; I10-L83 HydrophobicContact CG2-CD2 4.16Å
11V95.1Very high91.5Very high73 Ų7365.5 Ų65.544%0.44236%0.364SS..Hα-helixtrans-63.3-49.4-174.5172.80000111.5L7 I13 L14 I15L7-V11 WeakPolarHBondContact O-CB 3.4Å; L7-V11 WeakPolarHBondContact O-CG2 3.2Å; L7-V11 PolarHBondContact O-N 3.44Å; V11-I13 VanDerWaalsContact C-N 3.33Å; V11-I13 PolarHBondContact O-N 3.21Å; V11-L14 PolarHBondContact O-N 3.37Å; V11-I15 HydrophobicContact CG1-CD1 3.82Å; V11-I15 VanDerWaalsContact O-CG1 3.32Å; V11-I15 WeakPolarHBondContact O-CG1 3.34Å; V11-I15 PolarHBondContact O-N 3.42Å
12P95Very high93Very high68 Ų6857 Ų5744%0.44232%0.323SS..Hα-helixtrans-62.1-34.8175.1-27.538.9000114.1L8 L9 I15 A16L8-P12 WeakPolarHBondContact O-CD 3.34Å; L8-P12 WeakPolarHBondContact O-CG 3.36Å; L9-P12 WeakPolarHBondContact O-CD 3.28Å; P12-I15 PolarHBondContact O-N 2.92Å; P12-A16 VanDerWaalsContact O-CB 3.29Å; P12-A16 WeakPolarHBondContact O-CB 3.09Å; P12-A16 PolarHBondContact O-N 2.94Å
13I95.3Very high93.7Very high12 Ų1255.1 Ų55.16%0.06231%0.309CS..Hα-helixtrans-63.4-45.4177.1-68.4163.4000110.8L9 I10 V11 I15 A16 M17 L83 W86 T229L9-I13 HydrophobicContact CD1-CD1 3.86Å; L9-I13 HydrophobicContact CG-CD1 3.74Å; L9-I13 WeakPolarHBondContact O-CD1 3.32Å; L9-I13 WeakPolarHBondContact O-CG1 3.31Å; L9-I13 PolarHBondContact O-N 2.91Å; I10-I13 PolarHBondContact O-N 3.03Å; V11-I13 VanDerWaalsContact C-N 3.33Å; V11-I13 PolarHBondContact O-N 3.21Å; I13-I15 VanDerWaalsContact C-N 3.31Å; I13-I15 PolarHBondContact O-N 3Å; I13-A16 PolarHBondContact O-N 3.26Å; I13-M17 WeakPolarHBondContact O-CB 3.36Å; I13-M17 PolarHBondContact O-N 3.31Å; I13-L83 HydrophobicContact CG2-CD2 4.39Å; I13-W86 HydrophobicContact CD1-CB 3.9Å; I13-W86 HydrophobicContact CD1-CD2 3.45Å; I13-W86 VanDerWaalsContact CD1-CD2 3.45Å; I13-W86 HydrophobicContact CD1-CE3 3.65Å; I13-W86 HydrophobicContact CD1-CG 3.57Å; I13-W86 HydrophobicContact CD1-CZ3 4.31Å; I13-W86 HydrophobicContact CG1-CD2 4.08Å; I13-W86 HydrophobicContact CG1-CE3 4.04Å; I13-W86 HydrophobicContact CG1-CH2 4.4Å; I13-W86 HydrophobicContact CG1-CZ2 4.45Å; I13-W86 HydrophobicContact CG1-CZ3 4.2Å; I13-W86 HydrophobicContact CG2-CD2 4.43Å; I13-W86 HydrophobicContact CG2-CZ2 3.93Å; I13-T229 HydrophobicContact CG2-CG2 3.95Å
14L94.2Very high94Very high54 Ų5449.8 Ų49.828%0.28328%0.283SS..Hα-helixtrans-64.7-37.7177.2-68.7174.8000111.7I10 V11 M17 A18 L83I10-L14 HydrophobicContact CG2-CD1 3.93Å; I10-L14 HydrophobicContact CG2-CG 4.33Å; I10-L14 WeakPolarHBondContact O-CG 3.04Å; I10-L14 PolarHBondContact O-N 3.19Å; V11-L14 PolarHBondContact O-N 3.37Å; L14-M17 HydrophobicContact CD2-CE 4.06Å; L14-M17 WeakPolarHBondContact O-CE 3.36Å; L14-A18 PolarHBondContact O-N 3.46Å; L14-L83 HydrophobicContact CD2-CD2 4.47Å
15I95.4Very high94.1Very high81 Ų8152.4 Ų52.442%0.41528%0.283SS..Hα-helixtrans-65.5-44.4173.9-65.7166.9000110.6V11 P12 I13 M17 A18 F19V11-I15 HydrophobicContact CG1-CD1 3.82Å; V11-I15 VanDerWaalsContact O-CG1 3.32Å; V11-I15 WeakPolarHBondContact O-CG1 3.34Å; V11-I15 PolarHBondContact O-N 3.42Å; P12-I15 PolarHBondContact O-N 2.92Å; I13-I15 VanDerWaalsContact C-N 3.31Å; I13-I15 PolarHBondContact O-N 3Å; I15-M17 VanDerWaalsContact C-N 3.34Å; I15-M17 PolarHBondContact O-N 3.15Å; I15-A18 WeakPolarHBondContact O-CB 3.46Å; I15-A18 PolarHBondContact O-N 3.2Å; I15-A18 VanDerWaalsContact O-N 3.16Å; I15-F19 HydrophobicContact CG2-CD2 3.75Å; I15-F19 HydrophobicContact CG2-CE2 3.71Å; I15-F19 VanDerWaalsContact O-CD2 3.29Å; I15-F19 WeakPolarHBondContact O-CD2 3.29Å; I15-F19 PolarHBondContact O-N 3.29Å
16A94.9Very high94.2Very high47 Ų4750.3 Ų50.339%0.38827%0.269SS..Hα-helixtrans-61.4-43.1178.500000111.4P12 I13 A18 F19 L20 I232P12-A16 VanDerWaalsContact O-CB 3.29Å; P12-A16 WeakPolarHBondContact O-CB 3.09Å; P12-A16 PolarHBondContact O-N 2.94Å; I13-A16 PolarHBondContact O-N 3.26Å; A16-A18 PolarHBondContact O-N 3.44Å; A16-F19 PolarHBondContact O-N 3.16Å; A16-L20 WeakPolarHBondContact O-CB 3.44Å; A16-L20 PolarHBondContact O-N 2.64Å; A16-I232 HydrophobicContact CB-CD1 4.23Å
17M95Very high94.2Very high6 Ų650.1 Ų50.13%0.0327%0.266CS..Hα-helixtrans-59.3-44.4172.9169.3-80.6-62.400111.8I13 L14 I15 F19 L20 M21 M225 T229 I232I13-M17 WeakPolarHBondContact O-CB 3.36Å; I13-M17 PolarHBondContact O-N 3.31Å; L14-M17 HydrophobicContact CD2-CE 4.06Å; L14-M17 WeakPolarHBondContact O-CE 3.36Å; I15-M17 VanDerWaalsContact C-N 3.34Å; I15-M17 PolarHBondContact O-N 3.15Å; M17-F19 VanDerWaalsContact C-N 3.32Å; M17-F19 PolarHBondContact O-N 3.03Å; M17-L20 WeakPolarHBondContact O-CB 3.45Å; M17-L20 PolarHBondContact O-N 3.39Å; M17-L20 VanDerWaalsContact O-N 3.15Å; M17-M21 PolarHBondContact O-N 3.31Å; M17-M21 HydrophobicContact SD-CE 3.74Å; M17-M225 HydrophobicContact CE-CB 3.76Å; M17-M225 HydrophobicContact CE-CG 3.32Å; M17-M225 HydrophobicContact CE-SD 3.67Å; M17-M225 HydrophobicContact SD-CB 4.26Å; M17-M225 HydrophobicContact SD-CG 3.86Å; M17-T229 HydrophobicContact CB-CG2 3.94Å; M17-T229 HydrophobicContact CG-CG2 4.05Å; M17-I232 HydrophobicContact CB-CD1 4.47Å
18A93.9Very high94.2Very high18 Ų1847 Ų4715%0.14925%0.25CC..Hα-helixtrans-60.4-42.9178.400000111.7L14 I15 A16 M21 P48L14-A18 PolarHBondContact O-N 3.46Å; I15-A18 WeakPolarHBondContact O-CB 3.46Å; I15-A18 PolarHBondContact O-N 3.2Å; I15-A18 VanDerWaalsContact O-N 3.16Å; A16-A18 PolarHBondContact O-N 3.44Å; A18-M21 HydrophobicContact CB-CE 4.46Å; A18-M21 PolarHBondContact O-N 3.45Å; A18-P48 HydrophobicContact CB-CB 3.88Å; A18-P48 VanDerWaalsContact O-CB 3.29Å; A18-P48 WeakPolarHBondContact O-CB 3.32Å; A18-P48 WeakPolarHBondContact O-CG 3.43Å
19F95.1Very high94.1Very high65 Ų6541 Ų4129%0.28522%0.218SC..Hα-helixtrans-73.3-28.5175.8-77.1-70.5000113.5I15 A16 M17 M21 L22 T23 L45 P48 F49I15-F19 HydrophobicContact CG2-CD2 3.75Å; I15-F19 HydrophobicContact CG2-CE2 3.71Å; I15-F19 VanDerWaalsContact O-CD2 3.29Å; I15-F19 WeakPolarHBondContact O-CD2 3.29Å; I15-F19 PolarHBondContact O-N 3.29Å; A16-F19 PolarHBondContact O-N 3.16Å; M17-F19 VanDerWaalsContact C-N 3.32Å; M17-F19 PolarHBondContact O-N 3.03Å; F19-M21 PolarHBondContact O-N 3.45Å; F19-L22 HydrophobicContact CD1-CD2 4.22Å; F19-L22 WeakPolarHBondContact O-CB 3.2Å; F19-L22 PolarHBondContact O-N 2.72Å; F19-L22 VanDerWaalsContact O-N 3.08Å; F19-T23 WeakPolarHBondContact O-CG2 3.29Å; F19-T23 PolarHBondContact O-N 3.39Å; F19-T23 PolarHBondContact O-OG1 3.32Å; F19-L45 HydrophobicContact CE1-CD2 4.11Å; F19-P48 HydrophobicContact CD1-CG 4.45Å; F19-F49 HydrophobicContact CZ-CE2 4.17Å
20L94.8Very high94.2Very high13 Ų1345.9 Ų45.97%0.06824%0.235CC..Hα-helixtrans-58.9-38.3172.9-172.777.5000111.3A16 M17 L22 T23 E24 Y228 I231 I232A16-L20 WeakPolarHBondContact O-CB 3.44Å; A16-L20 PolarHBondContact O-N 2.64Å; M17-L20 WeakPolarHBondContact O-CB 3.45Å; M17-L20 PolarHBondContact O-N 3.39Å; M17-L20 VanDerWaalsContact O-N 3.15Å; L20-L22 VanDerWaalsContact C-N 3.32Å; L20-L22 PolarHBondContact O-N 2.78Å; L20-T23 WeakPolarHBondContact CA-OG1 3.48Å; L20-T23 PolarHBondContact O-N 3.33Å; L20-T23 PolarHBondContact O-OG1 3.02Å; L20-E24 VanDerWaalsContact O-CB 3.27Å; L20-E24 WeakPolarHBondContact O-CB 3.07Å; L20-E24 PolarHBondContact O-N 2.89Å; L20-Y228 HydrophobicContact CD2-CD1 3.52Å; L20-Y228 HydrophobicContact CD2-CE1 4.34Å; L20-Y228 HydrophobicContact CD2-CG 4.35Å; L20-Y228 HydrophobicContact CG-CD1 4.17Å; L20-I231 HydrophobicContact CD2-CB 4.49Å; L20-I231 HydrophobicContact CD2-CG2 4.31Å; L20-I232 HydrophobicContact CB-CD1 4.31Å; L20-I232 HydrophobicContact CD2-CD1 3.99Å; L20-I232 HydrophobicContact CD2-CG1 3.68Å
21M92.4Very high94.1Very high39 Ų3948.2 Ų48.219%0.19225%0.246CC..Hα-helixtrans-62.5-38.8174.7-65.7-170.9-79.700112.5M17 A18 F19 R25 Y228M17-M21 PolarHBondContact O-N 3.31Å; M17-M21 HydrophobicContact SD-CE 3.74Å; A18-M21 HydrophobicContact CB-CE 4.46Å; A18-M21 PolarHBondContact O-N 3.45Å; F19-M21 PolarHBondContact O-N 3.45Å; M21-R25 WeakPolarHBondContact O-CG 3.45Å; M21-R25 PolarHBondContact O-N 3.29Å; M21-Y228 HydrophobicContact CG-CD1 4.39Å; M21-Y228 HydrophobicContact CG-CD2 3.77Å; M21-Y228 HydrophobicContact CG-CE1 4.15Å; M21-Y228 HydrophobicContact CG-CE2 3.59Å; M21-Y228 HydrophobicContact CG-CG 4.2Å; M21-Y228 HydrophobicContact SD-CD2 4.13Å; M21-Y228 HydrophobicContact SD-CE2 3.99Å
22L94.8Very high94.1Very high7 Ų749.6 Ų49.64%0.03725%0.248CC..Hα-helixtrans-68.4-46.4175.6176.168.6000111.3F19 L20 E24 R25 K26 P37 G44 L45 Q47 P48F19-L22 HydrophobicContact CD1-CD2 4.22Å; F19-L22 WeakPolarHBondContact O-CB 3.2Å; F19-L22 PolarHBondContact O-N 2.72Å; F19-L22 VanDerWaalsContact O-N 3.08Å; L20-L22 VanDerWaalsContact C-N 3.32Å; L20-L22 PolarHBondContact O-N 2.78Å; L22-E24 VanDerWaalsContact C-N 3.31Å; L22-E24 PolarHBondContact O-N 3.33Å; L22-R25 PolarHBondContact O-N 3.03Å; L22-K26 PolarHBondContact O-N 3.43Å; L22-P37 HydrophobicContact CD1-CB 4.27Å; L22-P37 HydrophobicContact CD1-CG 4.41Å; L22-G44 WeakPolarHBondContact CD1-O 3.1Å; L22-L45 HydrophobicContact CD2-CD2 4.32Å; L22-Q47 HydrophobicContact CD1-CB 4.03Å; L22-P48 HydrophobicContact CB-CG 3.87Å
23T93.8Very high94.1Very high67 Ų6754.8 Ų54.841%0.41127%0.271SS..Hα-helixtrans-63-41.3-179.257.90000110.6F19 L20 R25 K26 F27F19-T23 WeakPolarHBondContact O-CG2 3.29Å; F19-T23 PolarHBondContact O-N 3.39Å; F19-T23 PolarHBondContact O-OG1 3.32Å; L20-T23 WeakPolarHBondContact CA-OG1 3.48Å; L20-T23 PolarHBondContact O-N 3.33Å; L20-T23 PolarHBondContact O-OG1 3.02Å; T23-R25 PolarHBondContact O-N 3.07Å; T23-K26 PolarHBondContact O-N 3.46Å; T23-F27 VanDerWaalsContact O-CB 3.25Å; T23-F27 WeakPolarHBondContact O-CB 3.4Å; T23-F27 PolarHBondContact O-N 3.28Å
24E93.8Very high94.1Very high8 Ų860.6 Ų60.64%0.03729%0.292CS..Hα-helixtrans-54.2-54.3173173.9168137.700111.7L20 L22 K26 F27 L28 R195 Y228 L271 R274L20-E24 VanDerWaalsContact O-CB 3.27Å; L20-E24 WeakPolarHBondContact O-CB 3.07Å; L20-E24 PolarHBondContact O-N 2.89Å; L22-E24 VanDerWaalsContact C-N 3.31Å; L22-E24 PolarHBondContact O-N 3.33Å; E24-K26 VanDerWaalsContact C-N 3.27Å; E24-K26 PolarHBondContact O-N 3.33Å; E24-F27 PolarHBondContact O-N 3.27Å; E24-L28 HydrophobicContact CG-CD1 3.49Å; E24-L28 VanDerWaalsContact CG-CD1 3.49Å; E24-L28 HydrophobicContact CG-CG 4.45Å; E24-L28 VanDerWaalsContact O-CB 3.32Å; E24-L28 WeakPolarHBondContact O-CB 3.16Å; E24-L28 WeakPolarHBondContact O-CD1 3.32Å; E24-L28 WeakPolarHBondContact O-CG 3.4Å; E24-L28 PolarHBondContact O-N 3.41Å; E24-R195 IonicContact OE1-NH2 2.78Å; E24-R195 IonicContact OE2-CZ 3.92Å; E24-R195 IonicContact OE2-NH2 3.15Å; E24-R195 PolarHBondContact OE2-NH2 2.65Å; E24-Y228 PolarHBondContact OE1-OH 3.44Å; E24-Y228 VanDerWaalsContact OE1-OH 3.1Å; E24-Y228 VanDerWaalsContact OE2-CE1 3.27Å; E24-Y228 WeakPolarHBondContact OE2-CE1 3.15Å; E24-Y228 PolarHBondContact OE2-OH 3.41Å; E24-L271 HydrophobicContact CB-CD1 4.44Å; E24-L271 HydrophobicContact CB-CD2 3.68Å; E24-L271 HydrophobicContact CG-CD2 3.71Å; E24-R274 VanDerWaalsContact CD-NH1 3.32Å; E24-R274 IonicContact OE1-CZ 3.67Å; E24-R274 IonicContact OE1-NH1 2.8Å; E24-R274 PolarHBondContact OE1-NH1 3.45Å; E24-R274 IonicContact OE1-NH2 3.5Å; E24-R274 IonicContact OE2-NH1 2.68Å
25R93.8Very high93.9Very high100 Ų10065.7 Ų65.738%0.37731%0.312SS..Hα-helixtrans-61.6-35.3-179.3-71-177.9-177.3165.611.5112.9M21 L22 T23 G29 P37 D51M21-R25 WeakPolarHBondContact O-CG 3.45Å; M21-R25 PolarHBondContact O-N 3.29Å; L22-R25 PolarHBondContact O-N 3.03Å; T23-R25 PolarHBondContact O-N 3.07Å; R25-G29 PolarHBondContact O-N 3.13Å; R25-P37 HydrophobicContact CB-CG 3.94Å; R25-D51 IonicContact CZ-OD2 2.6Å; R25-D51 IonicContact NH1-OD1 3.33Å; R25-D51 IonicContact NH1-OD2 3.71Å; R25-D51 PolarHBondContact NH1-OD2 3.42Å; R25-D51 IonicContact NH2-OD2 3.89Å; R25-D51 PolarHBondContact NH2-OD2 3.08Å
26K93.6Very high93.8Very high43 Ų4362.3 Ų62.319%0.18730%0.297CS..Hα-helixtrans-71.5-47.5175.9-76.7-170.3172.9-170.40111.9L22 T23 E24 G29 Y30 Y43L22-K26 PolarHBondContact O-N 3.43Å; T23-K26 PolarHBondContact O-N 3.46Å; E24-K26 VanDerWaalsContact C-N 3.27Å; E24-K26 PolarHBondContact O-N 3.33Å; K26-G29 WeakPolarHBondContact O-CA 3.27Å; K26-G29 PolarHBondContact O-N 3.02Å; K26-G29 VanDerWaalsContact O-N 3.13Å; K26-Y30 HydrophobicContact CB-CE2 4.42Å; K26-Y30 WeakPolarHBondContact O-CD2 3.49Å; K26-Y30 PolarHBondContact O-N 2.99Å; K26-Y43 WeakPolarHBondContact CE-O 3.49Å; K26-Y43 PolarHBondContact NZ-O 2.88Å
27F93.4Very high93.7Very high60 Ų6061.4 Ų61.426%0.26329%0.287SS..Hα-helixtrans-60.9-48.1-179.2-163.1-86.2000110.8T23 E24 G29 Y30 M31 L271 W272T23-F27 VanDerWaalsContact O-CB 3.25Å; T23-F27 WeakPolarHBondContact O-CB 3.4Å; T23-F27 PolarHBondContact O-N 3.28Å; E24-F27 PolarHBondContact O-N 3.27Å; F27-G29 VanDerWaalsContact C-N 3.32Å; F27-G29 PolarHBondContact O-N 3.26Å; F27-Y30 PolarHBondContact O-N 3.02Å; F27-M31 HydrophobicContact CD1-CE 4.43Å; F27-M31 HydrophobicContact CD1-CG 4.03Å; F27-M31 HydrophobicContact CE1-CE 3.48Å; F27-M31 VanDerWaalsContact CE1-CE 3.48Å; F27-M31 HydrophobicContact CE1-CG 3.86Å; F27-M31 HydrophobicContact CE2-CE 4.26Å; F27-M31 HydrophobicContact CZ-CE 3.38Å; F27-M31 WeakPolarHBondContact O-CB 3.29Å; F27-M31 WeakPolarHBondContact O-CG 3.38Å; F27-M31 PolarHBondContact O-N 3.41Å; F27-L271 HydrophobicContact CB-CD1 4.28Å; F27-L271 HydrophobicContact CD1-CB 3.85Å; F27-L271 HydrophobicContact CE1-CB 4.28Å; F27-L271 HydrophobicContact CG-CB 4.23Å; F27-L271 HydrophobicContact CG-CD1 4.48Å; F27-W272 HydrophobicContact CE1-CB 3.8Å; F27-W272 HydrophobicContact CZ-CB 4.06Å
28L92.1Very high93.6Very high21 Ų2163.7 Ų63.711%0.1130%0.299CS..Hα-helixtrans-57-44.6171.5-78.4158.7000111.9E24 Q32 R274 T275E24-L28 HydrophobicContact CG-CD1 3.49Å; E24-L28 VanDerWaalsContact CG-CD1 3.49Å; E24-L28 HydrophobicContact CG-CG 4.45Å; E24-L28 VanDerWaalsContact O-CB 3.32Å; E24-L28 WeakPolarHBondContact O-CB 3.16Å; E24-L28 WeakPolarHBondContact O-CD1 3.32Å; E24-L28 WeakPolarHBondContact O-CG 3.4Å; E24-L28 PolarHBondContact O-N 3.41Å; L28-Q32 VanDerWaalsContact O-CB 3.26Å; L28-Q32 WeakPolarHBondContact O-CB 3.45Å; L28-Q32 WeakPolarHBondContact O-CG 3.4Å; L28-Q32 PolarHBondContact O-N 2.68Å; L28-R274 HydrophobicContact CD2-CG 4.2Å; L28-T275 HydrophobicContact CD2-CG2 3.35Å; L28-T275 HydrophobicContact CG-CG2 4.07Å
29G92.9Very high93.5Very high0 Ų069.4 Ų69.40%033%0.332CS..Hα-helixtrans-56.2-56.3177.600000111.7R25 K26 F27 M31 Q32 L33 R34R25-G29 PolarHBondContact O-N 3.13Å; K26-G29 WeakPolarHBondContact O-CA 3.27Å; K26-G29 PolarHBondContact O-N 3.02Å; K26-G29 VanDerWaalsContact O-N 3.13Å; F27-G29 VanDerWaalsContact C-N 3.32Å; F27-G29 PolarHBondContact O-N 3.26Å; G29-M31 PolarHBondContact O-N 3.14Å; G29-Q32 CarbonylContact O-C 3.43Å; G29-Q32 PolarHBondContact O-N 3.24Å; G29-Q32 VanDerWaalsContact O-N 3.09Å; G29-L33 PolarHBondContact O-N 3.31Å; G29-R34 CarbonylContact C-O 2.85Å; G29-R34 WeakPolarHBondContact CA-O 3.29Å; G29-R34 CarbonylContact O-C 3.37Å; G29-R34 WeakPolarHBondContact O-CG 3.37Å; G29-R34 PolarHBondContact O-N 3.3Å
30Y94.2Very high93.3Very high139 Ų13969.8 Ų69.855%0.54534%0.34SS..Hα-helixtrans-63.1-40.5-177.3-74.2-67.9000112.7K26 F27 Q32 L33 R34K26-Y30 HydrophobicContact CB-CE2 4.42Å; K26-Y30 WeakPolarHBondContact O-CD2 3.49Å; K26-Y30 PolarHBondContact O-N 2.99Å; F27-Y30 PolarHBondContact O-N 3.02Å; Y30-Q32 VanDerWaalsContact C-N 3.25Å; Y30-Q32 PolarHBondContact O-N 3.36Å; Y30-L33 PolarHBondContact O-N 3.45Å; Y30-L33 VanDerWaalsContact O-N 3.14Å; Y30-R34 PolarHBondContact N-O 2.86Å
31M93.2Very high93.1Very high92 Ų9269.8 Ų69.845%0.45334%0.343SS..Hα-helixtrans-63.5-32.4174.9-71.4-64.8-178.400112.4F27 G29 L33 T275F27-M31 HydrophobicContact CD1-CE 4.43Å; F27-M31 HydrophobicContact CD1-CG 4.03Å; F27-M31 HydrophobicContact CE1-CE 3.48Å; F27-M31 VanDerWaalsContact CE1-CE 3.48Å; F27-M31 HydrophobicContact CE1-CG 3.86Å; F27-M31 HydrophobicContact CE2-CE 4.26Å; F27-M31 HydrophobicContact CZ-CE 3.38Å; F27-M31 WeakPolarHBondContact O-CB 3.29Å; F27-M31 WeakPolarHBondContact O-CG 3.38Å; F27-M31 PolarHBondContact O-N 3.41Å; G29-M31 PolarHBondContact O-N 3.14Å; M31-L33 VanDerWaalsContact C-N 3.29Å; M31-L33 PolarHBondContact O-N 2.69Å; M31-T275 HydrophobicContact CB-CG2 3.81Å; M31-T275 HydrophobicContact CG-CG2 4.04Å
32Q93.9Very high93.1Very high102 Ų10272.1 Ų72.148%0.47736%0.361SS..THydrogen-bonded Turntrans-89.716.4176.6-65.8172.6-8.100113.3L28 G29 Y30 R34L28-Q32 VanDerWaalsContact O-CB 3.26Å; L28-Q32 WeakPolarHBondContact O-CB 3.45Å; L28-Q32 WeakPolarHBondContact O-CG 3.4Å; L28-Q32 PolarHBondContact O-N 2.68Å; G29-Q32 CarbonylContact O-C 3.43Å; G29-Q32 PolarHBondContact O-N 3.24Å; G29-Q32 VanDerWaalsContact O-N 3.09Å; Y30-Q32 VanDerWaalsContact C-N 3.25Å; Y30-Q32 PolarHBondContact O-N 3.36Å; Q32-R34 HydrophobicContact CB-CG 4.25Å; Q32-R34 PolarHBondContact O-N 3.18Å
33L94.9Very high92.9Very high176 Ų17680.3 Ų80.392%0.92139%0.393SS*.THydrogen-bonded Turntrans56.729.2-179.4-59.4172.8000114.4G29 Y30 M31G29-L33 PolarHBondContact O-N 3.31Å; Y30-L33 PolarHBondContact O-N 3.45Å; Y30-L33 VanDerWaalsContact O-N 3.14Å; M31-L33 VanDerWaalsContact C-N 3.29Å; M31-L33 PolarHBondContact O-N 2.69Å
34R95.1Very high92.8Very high134 Ų13477.1 Ų77.151%0.50637%0.373SS..SBendtrans-127.2168.4174.166-177.2178.496-0.5111.3G29 Y30 Q32G29-R34 CarbonylContact C-O 2.85Å; G29-R34 WeakPolarHBondContact CA-O 3.29Å; G29-R34 CarbonylContact O-C 3.37Å; G29-R34 WeakPolarHBondContact O-CG 3.37Å; G29-R34 PolarHBondContact O-N 3.3Å; Y30-R34 PolarHBondContact N-O 2.86Å; Q32-R34 HydrophobicContact CB-CG 4.25Å; Q32-R34 PolarHBondContact O-N 3.18Å
35K91.6Very high92.8Very high162 Ų16280.9 Ų80.970%0.70439%0.393SS*.  trans-87.5140.5175.1-67.6180-1781770110.1
36G93.5Very high92.9Very high9 Ų980.5 Ų80.59%0.09340%0.398CS..  trans-73.1-173.716500000112.5N38G36-N38 PolarHBondContact O-N 3.26Å
37P91.9Very high92.9Very high28 Ų2879.8 Ų79.818%0.18240%0.395CS..SBendtrans-58.1119.9178.4-21.231.8000111.4L22 R25 G44 Q47L22-P37 HydrophobicContact CD1-CB 4.27Å; L22-P37 HydrophobicContact CD1-CG 4.41Å; R25-P37 HydrophobicContact CB-CG 3.94Å; P37-G44 WeakPolarHBondContact O-CA 3.38Å; P37-Q47 HydrophobicContact CB-CB 4.41Å; P37-Q47 HydrophobicContact CB-CG 4.08Å; P37-Q47 HydrophobicContact CG-CG 4.37Å
38N93.7Very high92.9Very high54 Ų5477.2 Ų77.229%0.28938%0.384SS..  trans-131.9-0.5-178.7-75.3-22.9000113.8G36G36-N38 PolarHBondContact O-N 3.26Å
39V91.6Very high92.9Very high139 Ų13981.6 Ų81.684%0.84240%0.403SS*.SBendtrans-101-44.7-168.4-178.30000113.8G41V39-G41 PolarHBondContact O-N 2.8Å
40V90.3Very high92.9Very high72 Ų7283.4 Ų83.444%0.43642%0.418SS..SBendtrans-65.2-14.2-171.8177.30000113.7L46 A50V40-L46 HydrophobicContact CG1-CB 4.43Å; V40-A50 HydrophobicContact CG1-CB 3.79Å
41G91.6Very high92.8Very high13 Ų1378.2 Ų78.213%0.13440%0.399CS..SBendtrans-165.5-178.5172.600000110.7V39 Y43 G44V39-G41 PolarHBondContact O-N 2.8Å; G41-Y43 PolarHBondContact O-N 3.13Å; G41-G44 PolarHBondContact O-N 2.91Å
42P91.1Very high92.6Very high88 Ų8875.8 Ų75.857%0.57139%0.394SS*.G310 helixtrans-58.4117.7175.925.2-32.9000109.1G44 L45P42-G44 PolarHBondContact O-N 3.42Å; P42-L45 WeakPolarHBondContact O-CG 3.46Å; P42-L45 PolarHBondContact O-N 2.92Å; P42-L45 VanDerWaalsContact O-N 3.14Å
43Y91.2Very high92.6Very high180 Ų18077.3 Ų77.371%0.70640%0.403SS*.G310 helixtrans49.230.7-171.1-57.6-80.8000113.7K26 G41 L45K26-Y43 WeakPolarHBondContact CE-O 3.49Å; K26-Y43 PolarHBondContact NZ-O 2.88Å; G41-Y43 PolarHBondContact O-N 3.13Å; Y43-L45 VanDerWaalsContact C-N 3.3Å; Y43-L45 PolarHBondContact O-N 3.48Å
44G92.3Very high92.5Very high0 Ų075.5 Ų75.50%039%0.387CS..G310 helixtrans70.813.5178.700000116.3L22 P37 G41 P42 L46 Q47L22-G44 WeakPolarHBondContact CD1-O 3.1Å; P37-G44 WeakPolarHBondContact O-CA 3.38Å; G41-G44 PolarHBondContact O-N 2.91Å; P42-G44 PolarHBondContact O-N 3.42Å; G44-L46 PolarHBondContact O-N 3.26Å; G44-L46 VanDerWaalsContact O-N 3.11Å; G44-Q47 WeakPolarHBondContact O-CB 3.49Å; G44-Q47 PolarHBondContact O-N 3.35Å
45L93.6Very high92.3Very high87 Ų8771.2 Ų71.246%0.45538%0.375SS..THydrogen-bonded Turntrans-56.4-28.7-179.7-74.5171.5000114.1F19 L22 P42 Y43 Q47 P48F19-L45 HydrophobicContact CE1-CD2 4.11Å; L22-L45 HydrophobicContact CD2-CD2 4.32Å; P42-L45 WeakPolarHBondContact O-CG 3.46Å; P42-L45 PolarHBondContact O-N 2.92Å; P42-L45 VanDerWaalsContact O-N 3.14Å; Y43-L45 VanDerWaalsContact C-N 3.3Å; Y43-L45 PolarHBondContact O-N 3.48Å; L45-Q47 VanDerWaalsContact C-N 3.34Å; L45-P48 WeakPolarHBondContact O-CD 3.41Å
46L94.6Very high92.2Very high91 Ų9169.5 Ų69.548%0.47637%0.367SS..THydrogen-bonded Turntrans-85.2-2.9178.8-64.5175.4000114V40 G44 F49 A50V40-L46 HydrophobicContact CG1-CB 4.43Å; G44-L46 PolarHBondContact O-N 3.26Å; G44-L46 VanDerWaalsContact O-N 3.11Å; L46-F49 HydrophobicContact CD2-CD2 4.26Å; L46-F49 PolarHBondContact O-N 2.89Å; L46-A50 PolarHBondContact O-N 3.49Å; L46-A50 VanDerWaalsContact O-N 3.16Å
47Q94.3Very high92.2Very high29 Ų2973.9 Ų73.914%0.13639%0.392CS..Hα-helixtrans-58.6-44.8-178.4-173.771.645.300113.5L22 P37 G44 L45 F49 A50 D51L22-Q47 HydrophobicContact CD1-CB 4.03Å; P37-Q47 HydrophobicContact CB-CB 4.41Å; P37-Q47 HydrophobicContact CB-CG 4.08Å; P37-Q47 HydrophobicContact CG-CG 4.37Å; G44-Q47 WeakPolarHBondContact O-CB 3.49Å; G44-Q47 PolarHBondContact O-N 3.35Å; L45-Q47 VanDerWaalsContact C-N 3.34Å; Q47-F49 VanDerWaalsContact C-N 3.28Å; Q47-F49 PolarHBondContact O-N 3.04Å; Q47-A50 PolarHBondContact O-N 3.29Å; Q47-D51 PolarHBondContact NE2-OD1 2.83Å; Q47-D51 PolarHBondContact O-N 3.31Å
48P93.3Very high92.2Very high5 Ų578.4 Ų78.43%0.03241%0.409CS..Hα-helixtrans-61.8-36.9-179-24.436.5000113A18 F19 L22 L45 D51 A52A18-P48 HydrophobicContact CB-CB 3.88Å; A18-P48 VanDerWaalsContact O-CB 3.29Å; A18-P48 WeakPolarHBondContact O-CB 3.32Å; A18-P48 WeakPolarHBondContact O-CG 3.43Å; F19-P48 HydrophobicContact CD1-CG 4.45Å; L22-P48 HydrophobicContact CB-CG 3.87Å; L45-P48 WeakPolarHBondContact O-CD 3.41Å; P48-D51 PolarHBondContact O-N 3.25Å; P48-A52 WeakPolarHBondContact O-CB 3.37Å; P48-A52 PolarHBondContact O-N 3.36Å
49F92Very high92Very high114 Ų11483 Ų8350%0.543%0.429SS..Hα-helixtrans-68.4-39.8177.3-62.6-72.4000111.8F19 L46 Q47 A52 M53F19-F49 HydrophobicContact CZ-CE2 4.17Å; L46-F49 HydrophobicContact CD2-CD2 4.26Å; L46-F49 PolarHBondContact O-N 2.89Å; Q47-F49 VanDerWaalsContact C-N 3.28Å; Q47-F49 PolarHBondContact O-N 3.04Å; F49-A52 PolarHBondContact O-N 3.25Å; F49-M53 WeakPolarHBondContact O-CB 3.42Å; F49-M53 PolarHBondContact O-N 3.28Å
50A93.1Very high91.7Very high38 Ų3879.7 Ų79.731%0.31441%0.411SS..Hα-helixtrans-64.6-41.5174.900000112V40 L46 Q47 K54V40-A50 HydrophobicContact CG1-CB 3.79Å; L46-A50 PolarHBondContact O-N 3.49Å; L46-A50 VanDerWaalsContact O-N 3.16Å; Q47-A50 PolarHBondContact O-N 3.29Å; A50-K54 VanDerWaalsContact O-CB 3.28Å; A50-K54 WeakPolarHBondContact O-CB 3.45Å; A50-K54 PolarHBondContact O-N 3.36Å
51D91.4Very high91.4Very high29 Ų2981.3 Ų81.316%0.15542%0.416CS..Hα-helixtrans-65.9-43.4176.8-73.50.3000111.3R25 Q47 P48 K54 L55R25-D51 IonicContact CZ-OD2 2.6Å; R25-D51 IonicContact NH1-OD1 3.33Å; R25-D51 IonicContact NH1-OD2 3.71Å; R25-D51 PolarHBondContact NH1-OD2 3.42Å; R25-D51 IonicContact NH2-OD2 3.89Å; R25-D51 PolarHBondContact NH2-OD2 3.08Å; Q47-D51 PolarHBondContact NE2-OD1 2.83Å; Q47-D51 PolarHBondContact O-N 3.31Å; P48-D51 PolarHBondContact O-N 3.25Å; D51-K54 PolarHBondContact O-N 2.99Å; D51-L55 WeakPolarHBondContact O-CG 3.45Å; D51-L55 PolarHBondContact O-N 3.49Å
52A90.8Very high91Very high42 Ų4287 Ų8735%0.34744%0.437SS..Hα-helixtrans-60.5-50.8174.900000111.3P48 F49 K54 L55 F56P48-A52 WeakPolarHBondContact O-CB 3.37Å; P48-A52 PolarHBondContact O-N 3.36Å; F49-A52 PolarHBondContact O-N 3.25Å; A52-K54 VanDerWaalsContact C-N 3.31Å; A52-K54 PolarHBondContact O-N 3.41Å; A52-L55 PolarHBondContact O-N 3.15Å; A52-F56 WeakPolarHBondContact O-CD2 3.29Å; A52-F56 PolarHBondContact O-N 3.39Å
53M92.1Very high90.6Very high134 Ų13484.3 Ų84.366%0.6642%0.419SS*.Hα-helixtrans-58-45.9178.9-170.2178.2-176.200111F49 L55 F56 T57F49-M53 WeakPolarHBondContact O-CB 3.42Å; F49-M53 PolarHBondContact O-N 3.28Å; M53-L55 PolarHBondContact O-N 2.79Å; M53-F56 PolarHBondContact O-N 2.88Å; M53-T57 HydrophobicContact CG-CG2 4.26Å; M53-T57 WeakPolarHBondContact O-CB 3.18Å; M53-T57 VanDerWaalsContact O-CG2 3.31Å; M53-T57 WeakPolarHBondContact O-CG2 3.36Å; M53-T57 PolarHBondContact O-N 3.25Å; M53-T57 PolarHBondContact O-OG1 3.06Å
54K93Very high90.1Very high137 Ų13781 Ų8160%0.59643%0.429SS*.Hα-helixtrans-56.6-47.1176.7176.8-174.1174.8-174.50112.3A50 D51 A52 T57 K58A50-K54 VanDerWaalsContact O-CB 3.28Å; A50-K54 WeakPolarHBondContact O-CB 3.45Å; A50-K54 PolarHBondContact O-N 3.36Å; D51-K54 PolarHBondContact O-N 2.99Å; A52-K54 VanDerWaalsContact C-N 3.31Å; A52-K54 PolarHBondContact O-N 3.41Å; K54-T57 PolarHBondContact O-OG1 2.95Å; K54-K58 WeakPolarHBondContact O-CB 3.4Å; K54-K58 PolarHBondContact O-N 3.24Å; K54-K58 VanDerWaalsContact O-N 3.15Å
55L90.9Very high89.6Confident45 Ų4585.2 Ų85.224%0.23646%0.455CS..Hα-helixtrans-68.4-34.4-177.3-71.8171.5000112.2D51 A52 M53 A217 G218 F220 A221D51-L55 WeakPolarHBondContact O-CG 3.45Å; D51-L55 PolarHBondContact O-N 3.49Å; A52-L55 PolarHBondContact O-N 3.15Å; M53-L55 PolarHBondContact O-N 2.79Å; L55-A217 CarbonylContact O-C 3.31Å; L55-A217 VanDerWaalsContact O-C 3.31Å; L55-A217 WeakPolarHBondContact O-CA 3.22Å; L55-A217 WeakPolarHBondContact O-CB 3.38Å; L55-G218 PolarHBondContact O-N 2.98Å; L55-F220 HydrophobicContact CD2-CD1 4.24Å; L55-A221 HydrophobicContact CB-CB 4.14Å; L55-A221 HydrophobicContact CD1-CB 3.88Å
56F90.8Very high89.2Confident125 Ų12581.7 Ų81.755%0.54844%0.438SS..Hα-helixtrans-80.9-26.6177.8-71.1-62.1000114A52 M53 M225A52-F56 WeakPolarHBondContact O-CD2 3.29Å; A52-F56 PolarHBondContact O-N 3.39Å; M53-F56 PolarHBondContact O-N 2.88Å; F56-M225 HydrophobicContact CZ-CE 4.22Å
57T92.1Very high89Confident102 Ų10279.1 Ų79.163%0.62643%0.43SS*.Hα-helixtrans-83.2-18.2175.756.20000113.5M53 K54M53-T57 HydrophobicContact CG-CG2 4.26Å; M53-T57 WeakPolarHBondContact O-CB 3.18Å; M53-T57 VanDerWaalsContact O-CG2 3.31Å; M53-T57 WeakPolarHBondContact O-CG2 3.36Å; M53-T57 PolarHBondContact O-N 3.25Å; M53-T57 PolarHBondContact O-OG1 3.06Å; K54-T57 PolarHBondContact O-OG1 2.95Å
58K92.3Very high88.7Confident122 Ų12282.8 Ų82.853%0.5345%0.449SS..SBendtrans-73.1142.7-179-169.8176.2-176.2-172.90110.1K54 A217K54-K58 WeakPolarHBondContact O-CB 3.4Å; K54-K58 PolarHBondContact O-N 3.24Å; K54-K58 VanDerWaalsContact O-N 3.15Å; K58-A217 HydrophobicContact CB-CB 3.8Å; K58-A217 HydrophobicContact CG-CB 4.19Å; K58-A217 VanDerWaalsContact O-CB 3.31Å; K58-A217 WeakPolarHBondContact O-CB 3.27Å
59E88.9Confident88.5Confident150 Ų15087.7 Ų87.770%0.70148%0.479SS*.  trans-58.3127.8177.7-172.8178.7176.700111.1L61E59-L61 PolarHBondContact O-N 2.96Å
60P85.7Confident88.5Confident71 Ų7184 Ų8446%0.46147%0.465SS..  trans-74.4110.4173.729.4-32000109.6K62P60-K62 PolarHBondContact O-N 3.21Å
61L84.4Confident88.3Confident106 Ų10682.4 Ų82.456%0.55545%0.45SS*.  trans-70.6125.9171.8-67.4168.2000109.3E59 Y71 A216E59-L61 PolarHBondContact O-N 2.96Å; L61-Y71 PolarHBondContact O-OH 3.21Å; L61-A216 HydrophobicContact CB-CB 3.79Å; L61-A216 HydrophobicContact CD1-CB 3.88Å; L61-A216 HydrophobicContact CG-CB 3.99Å
62K83.9Confident88.3Confident133 Ų13384.9 Ų84.958%0.57846%0.463SS*.  trans-114.9112.7170.9-70-176.9-178.3178.40108.5P60P60-K62 PolarHBondContact O-N 3.21Å
63P83.1Confident88.3Confident30 Ų3085.7 Ų85.720%0.19546%0.463CS..  trans-64.4137.9179-14.825.7000111.2T65 S66 Y71 E214P63-T65 PolarHBondContact O-N 2.95Å; P63-S66 WeakPolarHBondContact O-CB 3.21Å; P63-S66 PolarHBondContact O-N 2.86Å; P63-S66 PolarHBondContact O-OG 3.46Å; P63-Y71 HydrophobicContact CG-CE2 4.21Å; P63-E214 WeakPolarHBondContact CB-OE2 3.41Å; P63-E214 HydrophobicContact CG-CB 3.87Å; P63-E214 HydrophobicContact CG-CG 4.42Å; P63-E214 WeakPolarHBondContact CG-OE2 3.36Å
64A79.8Confident88.4Confident110 Ų11079.3 Ų79.391%0.90943%0.432SS*.THydrogen-bonded Turntrans-66.1-26.5-179.800000113.2S66A64-S66 VanDerWaalsContact C-N 3.33Å
65T82.1Confident88.4Confident89 Ų8972.9 Ų72.955%0.54640%0.404SS..THydrogen-bonded Turntrans-87.3-1.3-179.646.90000113.6P63 N124P63-T65 PolarHBondContact O-N 2.95Å; T65-N124 VanDerWaalsContact O-CB 3.29Å; T65-N124 WeakPolarHBondContact O-CB 3.4Å; T65-N124 PolarHBondContact O-ND2 3.31Å
66S85.4Confident88.5Confident14 Ų1473.9 Ų73.910%0.09841%0.412CS..SBendtrans-85.2147.7-171.9680000113.7P63 A64 I68 A122P63-S66 WeakPolarHBondContact O-CB 3.21Å; P63-S66 PolarHBondContact O-N 2.86Å; P63-S66 PolarHBondContact O-OG 3.46Å; A64-S66 VanDerWaalsContact C-N 3.33Å; S66-I68 PolarHBondContact O-N 3.19Å; S66-I68 VanDerWaalsContact O-N 3.16Å; S66-A122 CarbonylContact C-O 3.46Å; S66-A122 WeakPolarHBondContact CA-O 3.5Å; S66-A122 WeakPolarHBondContact CB-O 3.27Å
67A90.2Very high88.8Confident37 Ų3769.8 Ų69.831%0.30640%0.396SS..  trans-77.896.2168.300000109.6T69 L70 Y71 A122A67-T69 VanDerWaalsContact C-N 3.28Å; A67-T69 PolarHBondContact O-N 3.46Å; A67-T69 VanDerWaalsContact O-N 3.16Å; A67-L70 PolarHBondContact O-N 3.09Å; A67-Y71 WeakPolarHBondContact O-CB 3.19Å; A67-Y71 PolarHBondContact O-N 3.38Å; A67-A122 HydrophobicContact CB-CB 4.45Å; A67-A122 PolarHBondContact N-O 2.88Å
68I86.8Confident88.9Confident106 Ų10665.2 Ų65.254%0.54437%0.369SS..Hα-helixtrans-54.5-39.8-168.9-62.3164.3000113.2S66 I72S66-I68 PolarHBondContact O-N 3.19Å; S66-I68 VanDerWaalsContact O-N 3.16Å; I68-I72 HydrophobicContact CG2-CD1 3.78Å; I68-I72 WeakPolarHBondContact O-CG1 3.41Å; I68-I72 PolarHBondContact O-N 3.11Å; I68-I72 VanDerWaalsContact O-N 3.13Å
69T90.1Very high89Confident107 Ų10760.9 Ų60.966%0.65635%0.351SS*.Hα-helixtrans-62-54.3-178.351.10000111A67 I72 T73A67-T69 VanDerWaalsContact C-N 3.28Å; A67-T69 PolarHBondContact O-N 3.46Å; A67-T69 VanDerWaalsContact O-N 3.16Å; T69-I72 PolarHBondContact O-N 3.01Å; T69-T73 VanDerWaalsContact O-CG2 3.29Å; T69-T73 WeakPolarHBondContact O-CG2 3.18Å; T69-T73 PolarHBondContact O-N 2.97Å; T69-T73 PolarHBondContact O-OG1 3Å; T69-T73 VanDerWaalsContact O-OG1 3.12Å
70L91Very high89.4Confident37 Ų3757.3 Ų57.319%0.19434%0.34CS..Hα-helixtrans-67.4-35.9179.4-69173.8000112.5A67 I72 T73 A74 W118 W121 A122A67-L70 PolarHBondContact O-N 3.09Å; L70-I72 VanDerWaalsContact C-N 3.26Å; L70-I72 PolarHBondContact O-N 3.37Å; L70-T73 WeakPolarHBondContact CA-OG1 3.46Å; L70-T73 PolarHBondContact O-N 3.32Å; L70-T73 PolarHBondContact O-OG1 3.07Å; L70-A74 VanDerWaalsContact O-CB 3.24Å; L70-A74 WeakPolarHBondContact O-CB 3.29Å; L70-A74 PolarHBondContact O-N 3.48Å; L70-W118 HydrophobicContact CD2-CB 4.41Å; L70-W118 HydrophobicContact CD2-CD2 3.9Å; L70-W118 HydrophobicContact CD2-CE3 4Å; L70-W118 HydrophobicContact CD2-CG 4.09Å; L70-W121 HydrophobicContact CD1-CE3 3.46Å; L70-W121 VanDerWaalsContact CD1-CE3 3.46Å; L70-W121 HydrophobicContact CD1-CZ3 3.43Å; L70-W121 VanDerWaalsContact CD1-CZ3 3.43Å; L70-A122 HydrophobicContact CB-CB 3.72Å
71Y89.6Confident89.8Confident4 Ų454.1 Ų54.12%0.01632%0.319CS..Hα-helixtrans-62-35.6177.9-173.4-87.9000112L61 P63 A67 P75 E214 Y215L61-Y71 PolarHBondContact O-OH 3.21Å; P63-Y71 HydrophobicContact CG-CE2 4.21Å; A67-Y71 WeakPolarHBondContact O-CB 3.19Å; A67-Y71 PolarHBondContact O-N 3.38Å; Y71-P75 WeakPolarHBondContact O-CD 3.4Å; Y71-E214 HydrophobicContact CE2-CB 4.48Å; Y71-E214 PolarHBondContact OH-O 2.93Å; Y71-Y215 HydrophobicContact CD1-CE1 4.03Å; Y71-Y215 HydrophobicContact CD2-CD1 4.38Å; Y71-Y215 AromaticContact CD2-CE1 3.62Å; Y71-Y215 HydrophobicContact CD2-CE1 3.62Å; Y71-Y215 HydrophobicContact CD2-CE2 4.05Å; Y71-Y215 AromaticContact CD2-CZ 3.42Å; Y71-Y215 VanDerWaalsContact CD2-CZ 3.42Å; Y71-Y215 WeakPolarHBondContact CD2-OH 3.33Å; Y71-Y215 HydrophobicContact CE1-CD1 4.03Å; Y71-Y215 AromaticContact CE1-CE1 3.89Å; Y71-Y215 HydrophobicContact CE1-CE1 3.89Å; Y71-Y215 AromaticContact CE2-CD1 3.77Å; Y71-Y215 HydrophobicContact CE2-CD1 3.77Å; Y71-Y215 HydrophobicContact CE2-CD2 4.06Å; Y71-Y215 AromaticContact CE2-CE1 3.48Å; Y71-Y215 HydrophobicContact CE2-CE1 3.48Å; Y71-Y215 VanDerWaalsContact CE2-CE1 3.48Å; Y71-Y215 AromaticContact CE2-CE2 3.79Å; Y71-Y215 HydrophobicContact CE2-CE2 3.79Å; Y71-Y215 HydrophobicContact CE2-CG 4.07Å; Y71-Y215 AromaticContact CE2-CZ 3.48Å; Y71-Y215 VanDerWaalsContact CE2-CZ 3.48Å; Y71-Y215 AromaticContact CG-CE1 3.9Å; Y71-Y215 HydrophobicContact CG-CE1 3.9Å; Y71-Y215 AromaticContact CZ-CD1 3.58Å; Y71-Y215 AromaticContact CZ-CE1 3.62Å; Y71-Y215 WeakPolarHBondContact O-CE1 3.46Å; Y71-Y215 WeakPolarHBondContact OH-CA 3.46Å
72I90.4Very high90.4Very high82 Ų8249 Ų4942%0.42129%0.292SS..Hα-helixtrans-83.6-36177.7-64.5170.1000111.5I68 T69 L70I68-I72 HydrophobicContact CG2-CD1 3.78Å; I68-I72 WeakPolarHBondContact O-CG1 3.41Å; I68-I72 PolarHBondContact O-N 3.11Å; I68-I72 VanDerWaalsContact O-N 3.13Å; T69-I72 PolarHBondContact O-N 3.01Å; L70-I72 VanDerWaalsContact C-N 3.26Å; L70-I72 PolarHBondContact O-N 3.37Å
73T92.6Very high90.9Very high58 Ų5844.2 Ų44.236%0.35627%0.272SS..Hα-helixtrans-78.5-27.9-176.9590000113.7T69 L70 T76 L77T69-T73 VanDerWaalsContact O-CG2 3.29Å; T69-T73 WeakPolarHBondContact O-CG2 3.18Å; T69-T73 PolarHBondContact O-N 2.97Å; T69-T73 PolarHBondContact O-OG1 3Å; T69-T73 VanDerWaalsContact O-OG1 3.12Å; L70-T73 WeakPolarHBondContact CA-OG1 3.46Å; L70-T73 PolarHBondContact O-N 3.32Å; L70-T73 PolarHBondContact O-OG1 3.07Å; T73-T76 WeakPolarHBondContact CA-OG1 3.5Å; T73-T76 PolarHBondContact O-N 2.92Å; T73-T76 PolarHBondContact O-OG1 2.94Å; T73-L77 VanDerWaalsContact O-CB 3.23Å; T73-L77 WeakPolarHBondContact O-CB 3.37Å; T73-L77 PolarHBondContact O-N 3.45Å
74A93.1Very high91.5Very high0 Ų046.8 Ų46.80%028%0.284CS..Hα-helixtrans-63-49.3-177.400000113.7L70 T76 L77 A78 W118 F223L70-A74 VanDerWaalsContact O-CB 3.24Å; L70-A74 WeakPolarHBondContact O-CB 3.29Å; L70-A74 PolarHBondContact O-N 3.48Å; A74-T76 VanDerWaalsContact C-N 3.34Å; A74-T76 PolarHBondContact O-N 2.88Å; A74-L77 PolarHBondContact O-N 3.43Å; A74-A78 PolarHBondContact O-N 3.04Å; A74-W118 HydrophobicContact CB-CB 4.01Å; A74-F223 HydrophobicContact CB-CZ 4.18Å
75P93.1Very high92.3Very high2 Ų241.6 Ų41.61%0.01324%0.241CC..Hα-helixtrans-66.4-33.7177.6-12.121.6000113.5Y71 A78 L79 Y215 P219 L222 F223Y71-P75 WeakPolarHBondContact O-CD 3.4Å; P75-A78 PolarHBondContact O-N 3.22Å; P75-L79 PolarHBondContact O-N 2.66Å; P75-Y215 HydrophobicContact CG-CD1 4.02Å; P75-Y215 HydrophobicContact CG-CE1 3.65Å; P75-P219 WeakPolarHBondContact CB-O 3.38Å; P75-P219 HydrophobicContact CG-CB 4.1Å; P75-L222 HydrophobicContact CB-CB 3.72Å; P75-L222 HydrophobicContact CB-CD1 3.9Å; P75-L222 HydrophobicContact CB-CG 4.47Å; P75-F223 HydrophobicContact CB-CD2 4.09Å; P75-F223 HydrophobicContact CB-CE2 3.8Å; P75-F223 HydrophobicContact CB-CZ 4.03Å; P75-F223 HydrophobicContact CG-CD2 4.23Å; P75-F223 HydrophobicContact CG-CE2 3.55Å; P75-F223 HydrophobicContact CG-CZ 3.9Å
76T93.9Very high92.9Very high66 Ų6638 Ų3841%0.40522%0.217SC..Hα-helixtrans-71.2-38.217759.70000111T73 A74 L79 T80 L222T73-T76 WeakPolarHBondContact CA-OG1 3.5Å; T73-T76 PolarHBondContact O-N 2.92Å; T73-T76 PolarHBondContact O-OG1 2.94Å; A74-T76 VanDerWaalsContact C-N 3.34Å; A74-T76 PolarHBondContact O-N 2.88Å; T76-L79 PolarHBondContact O-N 3.35Å; T76-T80 WeakPolarHBondContact O-CB 3.06Å; T76-T80 VanDerWaalsContact O-CG2 3.23Å; T76-T80 WeakPolarHBondContact O-CG2 3.21Å; T76-T80 PolarHBondContact O-N 3.13Å; T76-T80 PolarHBondContact O-OG1 3.33Å; T76-L222 HydrophobicContact CG2-CD1 4.23Å
77L95.6Very high93.3Very high39 Ų3938.3 Ų38.320%0.20422%0.219CC..Hα-helixtrans-62.3-43.2172.7-168.5122.6000111.3T73 A74 L79 T80 I81 W118T73-L77 VanDerWaalsContact O-CB 3.23Å; T73-L77 WeakPolarHBondContact O-CB 3.37Å; T73-L77 PolarHBondContact O-N 3.45Å; A74-L77 PolarHBondContact O-N 3.43Å; L77-L79 PolarHBondContact O-N 3.4Å; L77-T80 VanDerWaalsContact CA-OG1 3.31Å; L77-T80 WeakPolarHBondContact CA-OG1 3.31Å; L77-T80 PolarHBondContact O-N 2.94Å; L77-T80 PolarHBondContact O-OG1 2.91Å; L77-I81 HydrophobicContact CD2-CD1 3.4Å; L77-I81 HydrophobicContact CD2-CG1 4.5Å; L77-I81 HydrophobicContact CG-CD1 3.77Å; L77-I81 HydrophobicContact CG-CG1 4.41Å; L77-I81 WeakPolarHBondContact O-CB 3Å; L77-I81 VanDerWaalsContact O-CG1 3.27Å; L77-I81 WeakPolarHBondContact O-CG1 3.34Å; L77-I81 PolarHBondContact O-N 3.39Å; L77-W118 HydrophobicContact CD1-CH2 4.4Å; L77-W118 HydrophobicContact CD1-CZ3 3.9Å
78A94.7Very high93.5Very high7 Ų736.8 Ų36.86%0.05821%0.206CC..Hα-helixtrans-56.4-51.3176.700000112.2A74 P75 A82 F223 A226A74-A78 PolarHBondContact O-N 3.04Å; P75-A78 PolarHBondContact O-N 3.22Å; A78-A82 WeakPolarHBondContact O-CB 3.44Å; A78-A82 PolarHBondContact O-N 3.47Å; A78-F223 HydrophobicContact CB-CD1 3.81Å; A78-F223 HydrophobicContact CB-CE1 3.79Å; A78-A226 HydrophobicContact CB-CB 3.89Å
79L95.3Very high93.9Very high30 Ų3032 Ų3216%0.15718%0.181CC..Hα-helixtrans-67.3-40.6-179.5-175.270.4000112.2P75 T76 L77 A82 L83 L222 M225P75-L79 PolarHBondContact O-N 2.66Å; T76-L79 PolarHBondContact O-N 3.35Å; L77-L79 PolarHBondContact O-N 3.4Å; L79-A82 PolarHBondContact O-N 3.35Å; L79-L83 HydrophobicContact CD1-CD1 4.47Å; L79-L83 HydrophobicContact CD1-CG 4.49Å; L79-L83 HydrophobicContact CG-CD1 4.13Å; L79-L83 WeakPolarHBondContact O-CG 3.23Å; L79-L83 PolarHBondContact O-N 3.35Å; L79-L222 HydrophobicContact CB-CD2 4.48Å; L79-L222 HydrophobicContact CD2-CD2 3.63Å; L79-M225 HydrophobicContact CD1-CB 4.01Å
80T95.8Very high93.9Very high75 Ų7526.9 Ų26.946%0.4615%0.15SC..Hα-helixtrans-63.4-43.4-18050.60000111.6T76 L77 L83 L84T76-T80 WeakPolarHBondContact O-CB 3.06Å; T76-T80 VanDerWaalsContact O-CG2 3.23Å; T76-T80 WeakPolarHBondContact O-CG2 3.21Å; T76-T80 PolarHBondContact O-N 3.13Å; T76-T80 PolarHBondContact O-OG1 3.33Å; L77-T80 VanDerWaalsContact CA-OG1 3.31Å; L77-T80 WeakPolarHBondContact CA-OG1 3.31Å; L77-T80 PolarHBondContact O-N 2.94Å; L77-T80 PolarHBondContact O-OG1 2.91Å; T80-L83 PolarHBondContact O-N 3.24Å; T80-L84 WeakPolarHBondContact O-CB 3.27Å; T80-L84 VanDerWaalsContact O-CG 3.24Å; T80-L84 WeakPolarHBondContact O-CG 3.39Å; T80-L84 PolarHBondContact O-N 3.16Å
81I96Very high93.8Very high4 Ų427.9 Ų27.92%0.02115%0.154CC..Hα-helixtrans-63.3-45.9175.1-65.8169.8000110.6L77 L83 L84 L85 T108 L111 A112L77-I81 HydrophobicContact CD2-CD1 3.4Å; L77-I81 HydrophobicContact CD2-CG1 4.5Å; L77-I81 HydrophobicContact CG-CD1 3.77Å; L77-I81 HydrophobicContact CG-CG1 4.41Å; L77-I81 WeakPolarHBondContact O-CB 3Å; L77-I81 VanDerWaalsContact O-CG1 3.27Å; L77-I81 WeakPolarHBondContact O-CG1 3.34Å; L77-I81 PolarHBondContact O-N 3.39Å; I81-L83 VanDerWaalsContact C-N 3.26Å; I81-L83 PolarHBondContact O-N 3.12Å; I81-L84 PolarHBondContact O-N 3.16Å; I81-L84 VanDerWaalsContact O-N 3.12Å; I81-L85 HydrophobicContact CG2-CD1 4.06Å; I81-L85 WeakPolarHBondContact O-CG 3.23Å; I81-L85 PolarHBondContact O-N 2.98Å; I81-L85 VanDerWaalsContact O-N 3.13Å; I81-T108 VanDerWaalsContact CG2-O 3.26Å; I81-T108 WeakPolarHBondContact CG2-O 3.32Å; I81-L111 HydrophobicContact CD1-CB 4.02Å; I81-L111 HydrophobicContact CD1-CD2 3.76Å; I81-L111 HydrophobicContact CD1-CG 3.7Å; I81-L111 HydrophobicContact CG1-CD2 4.09Å; I81-A112 HydrophobicContact CG2-CB 3.98Å
82A95.7Very high93.7Very high0 Ų028.1 Ų28.10%016%0.157CC..Hα-helixtrans-60-35.7-179.400000112.8A78 L79 W86 A226 T229 N230A78-A82 WeakPolarHBondContact O-CB 3.44Å; A78-A82 PolarHBondContact O-N 3.47Å; L79-A82 PolarHBondContact O-N 3.35Å; A82-W86 PolarHBondContact O-NE1 3.21Å; A82-A226 HydrophobicContact CB-CB 4.05Å; A82-T229 VanDerWaalsContact CB-OG1 3.23Å; A82-T229 WeakPolarHBondContact CB-OG1 3.31Å; A82-N230 WeakPolarHBondContact CA-OD1 3.39Å; A82-N230 VanDerWaalsContact CB-OD1 3.29Å; A82-N230 WeakPolarHBondContact CB-OD1 3.48Å
83L95.2Very high93.7Very high31 Ų3129.7 Ų29.716%0.16217%0.166CC..Hα-helixtrans-77.2-35.6174.6-68.4174.4000113I10 I13 L14 L79 T80 I81 L85 W86I10-L83 HydrophobicContact CG2-CD1 4.14Å; I10-L83 HydrophobicContact CG2-CD2 4.16Å; I13-L83 HydrophobicContact CG2-CD2 4.39Å; L14-L83 HydrophobicContact CD2-CD2 4.47Å; L79-L83 HydrophobicContact CD1-CD1 4.47Å; L79-L83 HydrophobicContact CD1-CG 4.49Å; L79-L83 HydrophobicContact CG-CD1 4.13Å; L79-L83 WeakPolarHBondContact O-CG 3.23Å; L79-L83 PolarHBondContact O-N 3.35Å; T80-L83 PolarHBondContact O-N 3.24Å; I81-L83 VanDerWaalsContact C-N 3.26Å; I81-L83 PolarHBondContact O-N 3.12Å; L83-L85 VanDerWaalsContact C-N 3.28Å; L83-L85 PolarHBondContact O-N 3.24Å; L83-W86 PolarHBondContact O-N 3.38Å
84L95.4Very high93.8Very high85 Ų8528 Ų2845%0.44516%0.156SC..Hα-helixtrans-62.9-34.5178.2-79168.3000112.6T80 I81 W86 T87T80-L84 WeakPolarHBondContact O-CB 3.27Å; T80-L84 VanDerWaalsContact O-CG 3.24Å; T80-L84 WeakPolarHBondContact O-CG 3.39Å; T80-L84 PolarHBondContact O-N 3.16Å; I81-L84 PolarHBondContact O-N 3.16Å; I81-L84 VanDerWaalsContact O-N 3.12Å; L84-W86 PolarHBondContact O-N 3.14Å; L84-W86 VanDerWaalsContact O-N 3.09Å; L84-T87 WeakPolarHBondContact O-CB 3.18Å; L84-T87 WeakPolarHBondContact O-CG2 3.24Å; L84-T87 PolarHBondContact O-N 3.01Å; L84-T87 VanDerWaalsContact O-N 3.08Å; L84-T87 PolarHBondContact O-OG1 3.04Å
85L95.7Very high93.8Very high1 Ų130.9 Ų30.91%0.00517%0.171CC..THydrogen-bonded Turntrans-59.2-20.1178.5-76.4159.8000113.7I81 L83 P88 I105 T108 M233I81-L85 HydrophobicContact CG2-CD1 4.06Å; I81-L85 WeakPolarHBondContact O-CG 3.23Å; I81-L85 PolarHBondContact O-N 2.98Å; I81-L85 VanDerWaalsContact O-N 3.13Å; L83-L85 VanDerWaalsContact C-N 3.28Å; L83-L85 PolarHBondContact O-N 3.24Å; L85-P88 WeakPolarHBondContact O-CD 3.36Å; L85-I105 HydrophobicContact CD2-CB 4.35Å; L85-I105 HydrophobicContact CD2-CG2 3.84Å; L85-T108 WeakPolarHBondContact CD2-OG1 3.25Å; L85-M233 HydrophobicContact CB-CE 3.81Å; L85-M233 HydrophobicContact CB-CG 3.89Å; L85-M233 HydrophobicContact CB-SD 3.93Å; L85-M233 HydrophobicContact CD1-CE 3.5Å; L85-M233 HydrophobicContact CD2-CE 4.15Å; L85-M233 HydrophobicContact CG-CE 4.02Å
86W95.8Very high93.7Very high12 Ų1233.9 Ų33.95%0.04519%0.189CC..THydrogen-bonded Turntrans-82.1-19.2178.2-68.581.9000114.4L9 I13 A82 L83 L84 L89 M91 I232 M233 T236L9-W86 HydrophobicContact CD2-CB 4.26Å; I13-W86 HydrophobicContact CD1-CB 3.9Å; I13-W86 HydrophobicContact CD1-CD2 3.45Å; I13-W86 VanDerWaalsContact CD1-CD2 3.45Å; I13-W86 HydrophobicContact CD1-CE3 3.65Å; I13-W86 HydrophobicContact CD1-CG 3.57Å; I13-W86 HydrophobicContact CD1-CZ3 4.31Å; I13-W86 HydrophobicContact CG1-CD2 4.08Å; I13-W86 HydrophobicContact CG1-CE3 4.04Å; I13-W86 HydrophobicContact CG1-CH2 4.4Å; I13-W86 HydrophobicContact CG1-CZ2 4.45Å; I13-W86 HydrophobicContact CG1-CZ3 4.2Å; I13-W86 HydrophobicContact CG2-CD2 4.43Å; I13-W86 HydrophobicContact CG2-CZ2 3.93Å; A82-W86 PolarHBondContact O-NE1 3.21Å; L83-W86 PolarHBondContact O-N 3.38Å; L84-W86 PolarHBondContact O-N 3.14Å; L84-W86 VanDerWaalsContact O-N 3.09Å; W86-L89 HydrophobicContact CD2-CD1 4.24Å; W86-L89 HydrophobicContact CE3-CD1 3.89Å; W86-L89 HydrophobicContact CZ3-CD1 4.45Å; W86-L89 PolarHBondContact O-N 3.47Å; W86-M91 HydrophobicContact CE3-CE 3.6Å; W86-M91 HydrophobicContact CZ3-CE 3.55Å; W86-I232 HydrophobicContact CH2-CB 3.94Å; W86-I232 HydrophobicContact CH2-CG2 3.59Å; W86-I232 HydrophobicContact CZ2-CB 3.94Å; W86-I232 HydrophobicContact CZ2-CG2 4.14Å; W86-M233 HydrophobicContact CD2-CB 4.45Å; W86-M233 HydrophobicContact CD2-CG 4.41Å; W86-M233 HydrophobicContact CZ2-CB 3.75Å; W86-T236 HydrophobicContact CH2-CG2 4.04Å; W86-T236 HydrophobicContact CZ3-CG2 3.98Å
87T93.4Very high93.7Very high22 Ų2235.6 Ų35.614%0.13520%0.196CC..THydrogen-bonded Turntrans-61.2-38.5-171.860.30000114.9L84 L95 V96L84-T87 WeakPolarHBondContact O-CB 3.18Å; L84-T87 WeakPolarHBondContact O-CG2 3.24Å; L84-T87 PolarHBondContact O-N 3.01Å; L84-T87 VanDerWaalsContact O-N 3.08Å; L84-T87 PolarHBondContact O-OG1 3.04Å; T87-L95 HydrophobicContact CG2-CD2 4.19Å; T87-L95 PolarHBondContact O-N 3.42Å; T87-V96 PolarHBondContact O-N 3.05Å; T87-V96 VanDerWaalsContact O-N 3.11Å
88P94.6Very high93.6Very high4 Ų436.3 Ų36.33%0.02620%0.2CC..THydrogen-bonded Turntrans-89.7-3.8178.839.6-41.5000113.9L85 P90 P94 L98 F104 I105 L162L85-P88 WeakPolarHBondContact O-CD 3.36Å; P88-P90 WeakPolarHBondContact O-CD 3.09Å; P88-P94 WeakPolarHBondContact O-CB 3.29Å; P88-L98 HydrophobicContact CB-CD1 4.34Å; P88-F104 HydrophobicContact CG-CD1 3.92Å; P88-F104 HydrophobicContact CG-CE1 4.26Å; P88-I105 HydrophobicContact CG-CD1 3.82Å; P88-I105 HydrophobicContact CG-CG1 3.7Å; P88-L162 HydrophobicContact CB-CD1 4.04Å; P88-L162 HydrophobicContact CG-CD1 4.22Å; P88-L162 VanDerWaalsContact O-CD1 3.29Å; P88-L162 WeakPolarHBondContact O-CD1 3.14Å
89L94.1Very high93.5Very high5 Ų541.8 Ų41.83%0.02623%0.228CC..  trans-70.7125.5-175.4-72.4176.9000111.2W86 M91 P94 I105 L162 M233 T236 L237W86-L89 HydrophobicContact CD2-CD1 4.24Å; W86-L89 HydrophobicContact CE3-CD1 3.89Å; W86-L89 HydrophobicContact CZ3-CD1 4.45Å; W86-L89 PolarHBondContact O-N 3.47Å; L89-M91 HydrophobicContact CB-CE 4.4Å; L89-M91 PolarHBondContact O-N 3.44Å; L89-P94 WeakPolarHBondContact O-CA 3.39Å; L89-I105 HydrophobicContact CD2-CD1 4.09Å; L89-L162 HydrophobicContact CD2-CD1 4.46Å; L89-M233 HydrophobicContact CD1-CG 4.11Å; L89-T236 VanDerWaalsContact CD1-OG1 3.25Å; L89-T236 WeakPolarHBondContact CD1-OG1 3.46Å; L89-L237 HydrophobicContact CD2-CB 4.27Å; L89-L237 HydrophobicContact CD2-CD1 4.35Å
90P91.6Very high93.5Very high0 Ų044.6 Ų44.60%024%0.243CC..  trans-81.8119.2-177.432.8-36.4000111.4P88 P92 L162 I166 T240P88-P90 WeakPolarHBondContact O-CD 3.09Å; P90-P92 WeakPolarHBondContact CB-O 3.38Å; P90-L162 HydrophobicContact CG-CB 3.87Å; P90-I166 HydrophobicContact CB-CD1 3.82Å; P90-I166 HydrophobicContact CG-CD1 4.08Å; P90-T240 HydrophobicContact CG-CG2 4.04Å
91M88.6Confident93.4Very high58 Ų5841.1 Ų41.129%0.28622%0.221SC..SBendtrans-135.378.8174.3-62.2-172.9-141.800113.1W86 L89 N93 F259W86-M91 HydrophobicContact CE3-CE 3.6Å; W86-M91 HydrophobicContact CZ3-CE 3.55Å; L89-M91 HydrophobicContact CB-CE 4.4Å; L89-M91 PolarHBondContact O-N 3.44Å; M91-N93 PolarHBondContact N-O 3.38Å; M91-F259 HydrophobicContact CG-CD1 4.12Å; M91-F259 HydrophobicContact CG-CE1 3.79Å; M91-F259 HydrophobicContact SD-CE1 4.18Å
92P87.2Confident93.3Very high10 Ų1041 Ų417%0.06522%0.221CC..SBendcis-60.5-20-39.726.3-34.8000113.4P90 Y247 P252 Y255 T256P90-P92 WeakPolarHBondContact CB-O 3.38Å; P92-Y247 HydrophobicContact CB-CD2 3.55Å; P92-Y247 HydrophobicContact CB-CE2 3.62Å; P92-Y247 HydrophobicContact CG-CD2 3.97Å; P92-Y247 HydrophobicContact CG-CE2 3.61Å; P92-P252 HydrophobicContact CG-CB 3.97Å; P92-Y255 HydrophobicContact CB-CD1 3.5Å; P92-Y255 HydrophobicContact CB-CD2 4.38Å; P92-Y255 HydrophobicContact CB-CE1 3.89Å; P92-Y255 HydrophobicContact CB-CG 3.81Å; P92-Y255 HydrophobicContact CG-CD1 4.15Å; P92-Y255 HydrophobicContact CG-CG 4.44Å; P92-T256 VanDerWaalsContact CD-CG2 3.41Å
93N90.9Very high93.2Very high114 Ų11444.6 Ų44.661%0.6124%0.239SC*.SBendtrans-98.3131.5175.4-64.8-38.4000109.3M91M91-N93 PolarHBondContact N-O 3.38Å
94P93.5Very high93.2Very high23 Ų2346.1 Ų46.115%0.14925%0.245CC..  trans-73.2157.617531.4-35.3000111.3P88 L89 V96 N97P88-P94 WeakPolarHBondContact O-CB 3.29Å; L89-P94 WeakPolarHBondContact O-CA 3.39Å; P94-V96 VanDerWaalsContact C-N 3.31Å; P94-N97 HydrophobicContact CG-CB 3.86Å
95L93Very high93.2Very high60 Ų6042.4 Ų42.431%0.31423%0.226SC..SBendtrans-62.8-43.3172.5-17777000110.4N5 L9 T87N5-L95 HydrophobicContact CB-CD1 3.68Å; L9-L95 HydrophobicContact CD2-CB 4.25Å; L9-L95 HydrophobicContact CD2-CD2 3.88Å; T87-L95 HydrophobicContact CG2-CD2 4.19Å; T87-L95 PolarHBondContact O-N 3.42Å
96V92.8Very high93.1Very high65 Ų6544 Ų4439%0.39423%0.234SC..SBendtrans-126.3110.7174.9-174.30000108.3T87 P94 L98T87-V96 PolarHBondContact O-N 3.05Å; T87-V96 VanDerWaalsContact O-N 3.11Å; P94-V96 VanDerWaalsContact C-N 3.31Å; V96-L98 HydrophobicContact CG1-CD2 3.64Å; V96-L98 HydrophobicContact CG1-CG 3.92Å; V96-L98 PolarHBondContact O-N 2.89Å
97N92.9Very high93Very high103 Ų10346.3 Ų46.355%0.55126%0.255SS*.  trans-77.3106175.1-169.8-0.4000109.6P94 N161P94-N97 HydrophobicContact CG-CB 3.86Å; N97-N161 PolarHBondContact OD1-ND2 3.28Å; N97-N161 VanDerWaalsContact OD1-ND2 3.07Å; N97-N161 PolarHBondContact OD1-OD1 2.88Å
98L93.7Very high93.1Very high54 Ų5446.2 Ų46.228%0.28326%0.255SS..  trans-106.6130.7179.4-63.1178000109.8P88 V96 L100 G101 F104 N161P88-L98 HydrophobicContact CB-CD1 4.34Å; V96-L98 HydrophobicContact CG1-CD2 3.64Å; V96-L98 HydrophobicContact CG1-CG 3.92Å; V96-L98 PolarHBondContact O-N 2.89Å; L98-L100 PolarHBondContact O-N 3.09Å; L98-G101 PolarHBondContact O-N 2.9Å; L98-F104 HydrophobicContact CD1-CB 4.05Å; L98-F104 HydrophobicContact CD1-CD1 4.21Å; L98-F104 HydrophobicContact CD1-CD2 4.18Å; L98-F104 HydrophobicContact CD1-CG 3.87Å; L98-N161 PolarHBondContact O-OD1 2.82Å
99N93.1Very high92.9Very high121 Ų12146.2 Ų46.265%0.64726%0.255SS*.THydrogen-bonded Turntrans-59.8-34.2174.3-167.916.9000112.1F160 N161N99-F160 CarbonylContact O-C 3.35Å; N99-N161 PolarHBondContact O-N 2.64Å
100L94.1Very high92.8Very high90 Ų9048 Ų4847%0.47127%0.268SS..THydrogen-bonded Turntrans-107.643.1177.7-57.6179.5000111.7L98 L102 L103 F104 F160L98-L100 PolarHBondContact O-N 3.09Å; L100-L102 PolarHBondContact O-N 3.21Å; L100-L103 HydrophobicContact CB-CB 4.35Å; L100-L103 HydrophobicContact CB-CD1 4.3Å; L100-L103 HydrophobicContact CD1-CD1 4.32Å; L100-L103 HydrophobicContact CD2-CD1 4.12Å; L100-L103 HydrophobicContact CG-CD1 4.48Å; L100-L103 PolarHBondContact O-N 2.99Å; L100-F104 PolarHBondContact O-N 3.49Å; L100-F160 HydrophobicContact CD2-CB 3.93Å; L100-F160 HydrophobicContact CD2-CD2 3.96Å; L100-F160 HydrophobicContact CD2-CG 4.19Å
101G94.1Very high92.9Very high1 Ų151.8 Ų51.81%0.0129%0.288CS..Hα-helixtrans-56.6-42.5-175.200000114L98 F104 I105 F160L98-G101 PolarHBondContact O-N 2.9Å; G101-F104 WeakPolarHBondContact O-CB 3.47Å; G101-F104 PolarHBondContact O-N 2.94Å; G101-I105 WeakPolarHBondContact O-CG1 3.19Å; G101-I105 PolarHBondContact O-N 3.1Å; G101-I105 VanDerWaalsContact O-N 3.13Å; G101-F160 PolarHBondContact N-O 3.13Å
102L93.6Very high93Very high2 Ų250 Ų501%0.0128%0.282CS..Hα-helixtrans-69.3-38.3178.6-84.8162.6000113.8L100 F104 I105 L106 L150 L154 F160 L162 L165 L237 I241L100-L102 PolarHBondContact O-N 3.21Å; L102-F104 VanDerWaalsContact C-N 3.3Å; L102-F104 PolarHBondContact O-N 3.41Å; L102-I105 PolarHBondContact O-N 2.96Å; L102-L106 PolarHBondContact O-N 3.32Å; L102-L150 HydrophobicContact CD2-CD2 3.93Å; L102-L154 HydrophobicContact CD1-CD1 3.93Å; L102-L154 HydrophobicContact CD1-CD2 3.19Å; L102-L154 HydrophobicContact CD1-CG 3.96Å; L102-F160 PolarHBondContact N-O 3.42Å; L102-F160 VanDerWaalsContact N-O 3.12Å; L102-L162 HydrophobicContact CD1-CD2 4.18Å; L102-L162 HydrophobicContact CD2-CD2 3.74Å; L102-L162 HydrophobicContact CD2-CG 4.47Å; L102-L162 HydrophobicContact CG-CD2 3.7Å; L102-L162 HydrophobicContact CG-CG 4.01Å; L102-L165 HydrophobicContact CD1-CD1 3.77Å; L102-L237 HydrophobicContact CD2-CD1 4.35Å; L102-I241 HydrophobicContact CD2-CD1 4.42Å
103L94Very high93.3Very high75 Ų7550.2 Ų50.239%0.39328%0.283SS..Hα-helixtrans-66.1-36.2174.7-69.7174.9000111.2L100 I105 L106 A107 F160L100-L103 HydrophobicContact CB-CB 4.35Å; L100-L103 HydrophobicContact CB-CD1 4.3Å; L100-L103 HydrophobicContact CD1-CD1 4.32Å; L100-L103 HydrophobicContact CD2-CD1 4.12Å; L100-L103 HydrophobicContact CG-CD1 4.48Å; L100-L103 PolarHBondContact O-N 2.99Å; L103-I105 VanDerWaalsContact C-N 3.32Å; L103-I105 PolarHBondContact O-N 3.03Å; L103-L106 PolarHBondContact O-N 3.45Å; L103-A107 VanDerWaalsContact O-CB 3.31Å; L103-A107 WeakPolarHBondContact O-CB 3.26Å; L103-A107 PolarHBondContact O-N 2.87Å; L103-F160 HydrophobicContact CD1-CD1 4.2Å; L103-F160 HydrophobicContact CD1-CE1 4.33Å; L103-F160 HydrophobicContact CD1-CG 4.33Å; L103-F160 HydrophobicContact CD2-CD1 4.36Å; L103-F160 HydrophobicContact CD2-CE1 4.18Å; L103-F160 HydrophobicContact CG-CD1 3.86Å; L103-F160 HydrophobicContact CG-CE1 4.12Å; L103-F160 HydrophobicContact CG-CG 4.36Å
104F95.8Very high93.4Very high64 Ų6450.3 Ų50.328%0.28128%0.276SS..Hα-helixtrans-60.2-43.4172.7173.3-91.7000111.5P88 L98 L100 G101 L102 A107 T108P88-F104 HydrophobicContact CG-CD1 3.92Å; P88-F104 HydrophobicContact CG-CE1 4.26Å; L98-F104 HydrophobicContact CD1-CB 4.05Å; L98-F104 HydrophobicContact CD1-CD1 4.21Å; L98-F104 HydrophobicContact CD1-CD2 4.18Å; L98-F104 HydrophobicContact CD1-CG 3.87Å; L100-F104 PolarHBondContact O-N 3.49Å; G101-F104 WeakPolarHBondContact O-CB 3.47Å; G101-F104 PolarHBondContact O-N 2.94Å; L102-F104 VanDerWaalsContact C-N 3.3Å; L102-F104 PolarHBondContact O-N 3.41Å; F104-A107 PolarHBondContact O-N 3.47Å; F104-T108 HydrophobicContact CD1-CG2 4.43Å; F104-T108 HydrophobicContact CD2-CG2 4.23Å; F104-T108 HydrophobicContact CE1-CG2 4.03Å; F104-T108 HydrophobicContact CE2-CG2 3.8Å; F104-T108 HydrophobicContact CZ-CG2 3.7Å; F104-T108 WeakPolarHBondContact O-CB 3.33Å; F104-T108 WeakPolarHBondContact O-CG2 3.33Å; F104-T108 PolarHBondContact O-N 3.43Å; F104-T108 PolarHBondContact O-OG1 3.13Å
105I95Very high93.3Very high7 Ų749.5 Ų49.54%0.03627%0.271CS..Hα-helixtrans-62.9-47176.8-68.1178.8000111.4L85 P88 L89 G101 L102 L103 A107 T108 S109 L162 L237L85-I105 HydrophobicContact CD2-CB 4.35Å; L85-I105 HydrophobicContact CD2-CG2 3.84Å; P88-I105 HydrophobicContact CG-CD1 3.82Å; P88-I105 HydrophobicContact CG-CG1 3.7Å; L89-I105 HydrophobicContact CD2-CD1 4.09Å; G101-I105 WeakPolarHBondContact O-CG1 3.19Å; G101-I105 PolarHBondContact O-N 3.1Å; G101-I105 VanDerWaalsContact O-N 3.13Å; L102-I105 PolarHBondContact O-N 2.96Å; L103-I105 VanDerWaalsContact C-N 3.32Å; L103-I105 PolarHBondContact O-N 3.03Å; I105-A107 PolarHBondContact O-N 2.92Å; I105-T108 PolarHBondContact O-N 3.2Å; I105-T108 PolarHBondContact O-OG1 3.4Å; I105-T108 VanDerWaalsContact O-OG1 3.14Å; I105-S109 WeakPolarHBondContact O-CB 3.25Å; I105-S109 PolarHBondContact O-N 2.94Å; I105-S109 PolarHBondContact O-OG 3.36Å; I105-L162 HydrophobicContact CD1-CD1 3.7Å; I105-L237 HydrophobicContact CB-CD1 4.38Å; I105-L237 HydrophobicContact CD1-CD1 3.33Å; I105-L237 HydrophobicContact CG1-CD1 4.41Å; I105-L237 HydrophobicContact CG2-CD1 3.71Å
106L93.6Very high93.3Very high34 Ų3447.6 Ų47.618%0.17826%0.26CS..Hα-helixtrans-60.5-42.5176.5-80.5171.9000112.8L102 L103 S109 S110 L146 A147 L150L102-L106 PolarHBondContact O-N 3.32Å; L103-L106 PolarHBondContact O-N 3.45Å; L106-S109 PolarHBondContact O-OG 3Å; L106-S109 VanDerWaalsContact O-OG 3.11Å; L106-S110 PolarHBondContact O-N 3.35Å; L106-S110 VanDerWaalsContact O-N 3.15Å; L106-S110 PolarHBondContact O-OG 3.41Å; L106-S110 VanDerWaalsContact O-OG 3.13Å; L106-L146 HydrophobicContact CD2-CD2 3.68Å; L106-L146 HydrophobicContact CD2-CG 4.34Å; L106-A147 HydrophobicContact CD1-CB 4.49Å; L106-L150 HydrophobicContact CD1-CD1 3.73Å; L106-L150 HydrophobicContact CD2-CD1 3.69Å; L106-L150 HydrophobicContact CG-CD1 3.74Å
107A94.1Very high93.3Very high60 Ų6047 Ų4750%0.49626%0.255SS..Hα-helixtrans-68.2-36.817900000112.1L103 F104 I105 S110 L111L103-A107 VanDerWaalsContact O-CB 3.31Å; L103-A107 WeakPolarHBondContact O-CB 3.26Å; L103-A107 PolarHBondContact O-N 2.87Å; F104-A107 PolarHBondContact O-N 3.47Å; I105-A107 PolarHBondContact O-N 2.92Å; A107-S110 PolarHBondContact O-OG 2.75Å; A107-L111 PolarHBondContact O-N 2.6Å
108T94.4Very high93.3Very high20 Ų2046.4 Ų46.412%0.12325%0.245CC..Hα-helixtrans-78.9-31.6178.6490000112.6I81 L85 F104 I105 L111 A112I81-T108 VanDerWaalsContact CG2-O 3.26Å; I81-T108 WeakPolarHBondContact CG2-O 3.32Å; L85-T108 WeakPolarHBondContact CD2-OG1 3.25Å; F104-T108 HydrophobicContact CD1-CG2 4.43Å; F104-T108 HydrophobicContact CD2-CG2 4.23Å; F104-T108 HydrophobicContact CE1-CG2 4.03Å; F104-T108 HydrophobicContact CE2-CG2 3.8Å; F104-T108 HydrophobicContact CZ-CG2 3.7Å; F104-T108 WeakPolarHBondContact O-CB 3.33Å; F104-T108 WeakPolarHBondContact O-CG2 3.33Å; F104-T108 PolarHBondContact O-N 3.43Å; F104-T108 PolarHBondContact O-OG1 3.13Å; I105-T108 PolarHBondContact O-N 3.2Å; I105-T108 PolarHBondContact O-OG1 3.4Å; I105-T108 VanDerWaalsContact O-OG1 3.14Å; T108-L111 WeakPolarHBondContact O-CB 3.28Å; T108-L111 PolarHBondContact O-N 3.33Å; T108-A112 PolarHBondContact O-N 3.39Å
109S91.9Very high93.2Very high5 Ų543.9 Ų43.94%0.03523%0.232CC..Hα-helixtrans-67-41.3173.771.60000111.9I105 L106 L111 A112 E192I105-S109 WeakPolarHBondContact O-CB 3.25Å; I105-S109 PolarHBondContact O-N 2.94Å; I105-S109 PolarHBondContact O-OG 3.36Å; L106-S109 PolarHBondContact O-OG 3Å; L106-S109 VanDerWaalsContact O-OG 3.11Å; S109-L111 PolarHBondContact O-N 3.1Å; S109-A112 WeakPolarHBondContact O-CB 3.35Å; S109-A112 PolarHBondContact O-N 3.25Å; S109-E192 WeakPolarHBondContact CB-OE1 3.16Å; S109-E192 PolarHBondContact OG-OE1 3.13Å
110S91.5Very high93Very high42 Ų4238.1 Ų38.129%0.29420%0.201SC..Hα-helixtrans-61.8-27.2172.857.10000113.8L106 A107 A112 E143L106-S110 PolarHBondContact O-N 3.35Å; L106-S110 VanDerWaalsContact O-N 3.15Å; L106-S110 PolarHBondContact O-OG 3.41Å; L106-S110 VanDerWaalsContact O-OG 3.13Å; A107-S110 PolarHBondContact O-OG 2.75Å; S110-A112 VanDerWaalsContact C-N 3.31Å; S110-A112 PolarHBondContact O-N 2.9Å; S110-E143 VanDerWaalsContact CA-OE1 3.32Å; S110-E143 WeakPolarHBondContact CA-OE1 3.39Å; S110-E143 WeakPolarHBondContact CB-OE2 3.24Å
111L92.9Very high92.9Very high79 Ų7941.4 Ų41.441%0.41421%0.207SC..Hα-helixtrans-70-27.7172.4-166.872.5000112.4I81 A107 T108 S109 V113 Y114I81-L111 HydrophobicContact CD1-CB 4.02Å; I81-L111 HydrophobicContact CD1-CD2 3.76Å; I81-L111 HydrophobicContact CD1-CG 3.7Å; I81-L111 HydrophobicContact CG1-CD2 4.09Å; A107-L111 PolarHBondContact O-N 2.6Å; T108-L111 WeakPolarHBondContact O-CB 3.28Å; T108-L111 PolarHBondContact O-N 3.33Å; S109-L111 PolarHBondContact O-N 3.1Å; L111-V113 PolarHBondContact O-N 3.3Å; L111-Y114 HydrophobicContact CD1-CD2 3.83Å; L111-Y114 HydrophobicContact CD1-CE2 4.2Å; L111-Y114 WeakPolarHBondContact O-CD2 3.38Å; L111-Y114 PolarHBondContact O-N 3.49Å; L111-Y114 VanDerWaalsContact O-N 3.14Å
112A91.3Very high92.8Very high20 Ų2041.3 Ų41.317%0.16521%0.207CC..Hα-helixtrans-61.1-29.4-178.300000112.2I81 T108 S109 S110 Y114 S115I81-A112 HydrophobicContact CG2-CB 3.98Å; T108-A112 PolarHBondContact O-N 3.39Å; S109-A112 WeakPolarHBondContact O-CB 3.35Å; S109-A112 PolarHBondContact O-N 3.25Å; S110-A112 VanDerWaalsContact C-N 3.31Å; S110-A112 PolarHBondContact O-N 2.9Å; A112-Y114 PolarHBondContact O-N 3.5Å; A112-S115 WeakPolarHBondContact O-CB 3.42Å; A112-S115 PolarHBondContact O-N 3.45Å; A112-S115 PolarHBondContact O-OG 3.12Å
113V92.7Very high92.4Very high15 Ų1541.2 Ų41.29%0.09121%0.206CC..Hα-helixtrans-58.2-34.2177.9-175.50000112.2L111 S115 I116 L117 V136 T139 E143L111-V113 PolarHBondContact O-N 3.3Å; V113-S115 VanDerWaalsContact C-N 3.3Å; V113-S115 PolarHBondContact O-N 2.9Å; V113-I116 PolarHBondContact O-N 3.31Å; V113-L117 PolarHBondContact O-N 3.49Å; V113-V136 HydrophobicContact CG1-CB 4.09Å; V113-V136 HydrophobicContact CG1-CG1 3.93Å; V113-V136 HydrophobicContact CG1-CG2 3.72Å; V113-T139 VanDerWaalsContact CG1-OG1 3.32Å; V113-T139 WeakPolarHBondContact CG1-OG1 2.99Å; V113-T139 HydrophobicContact CG2-CG2 4.07Å; V113-T139 WeakPolarHBondContact CG2-OG1 3.06Å; V113-E143 WeakPolarHBondContact CG2-OE1 3.43Å
114Y92.8Very high92.2Very high117 Ų11742.9 Ų42.946%0.45922%0.215SC..Hα-helixtrans-66.6-30.9178.3-68.5-76.6000112.8L111 A112 I116 L117 W118L111-Y114 HydrophobicContact CD1-CD2 3.83Å; L111-Y114 HydrophobicContact CD1-CE2 4.2Å; L111-Y114 WeakPolarHBondContact O-CD2 3.38Å; L111-Y114 PolarHBondContact O-N 3.49Å; L111-Y114 VanDerWaalsContact O-N 3.14Å; A112-Y114 PolarHBondContact O-N 3.5Å; Y114-I116 VanDerWaalsContact C-N 3.28Å; Y114-I116 PolarHBondContact O-N 2.68Å; Y114-L117 PolarHBondContact O-N 2.74Å; Y114-W118 VanDerWaalsContact O-CB 3.26Å; Y114-W118 WeakPolarHBondContact O-CB 3.27Å; Y114-W118 PolarHBondContact O-N 3.27Å
115S93.2Very high91.8Very high6 Ų641 Ų414%0.04221%0.21CC..Hα-helixtrans-61-41175.769.50000111.6A112 V113 S119A112-S115 WeakPolarHBondContact O-CB 3.42Å; A112-S115 PolarHBondContact O-N 3.45Å; A112-S115 PolarHBondContact O-OG 3.12Å; V113-S115 VanDerWaalsContact C-N 3.3Å; V113-S115 PolarHBondContact O-N 2.9Å; S115-S119 VanDerWaalsContact O-CB 3.29Å; S115-S119 WeakPolarHBondContact O-CB 3.18Å; S115-S119 PolarHBondContact O-N 2.96Å; S115-S119 PolarHBondContact O-OG 3.09Å
116I91.3Very high91.4Very high19 Ų1946.8 Ų46.810%0.09724%0.241CC..Hα-helixtrans-74-40.3-179.9-58.7166.7000110.8V113 Y114 S119 G120 A132 A135 F211V113-I116 PolarHBondContact O-N 3.31Å; Y114-I116 VanDerWaalsContact C-N 3.28Å; Y114-I116 PolarHBondContact O-N 2.68Å; I116-S119 PolarHBondContact O-N 2.99Å; I116-S119 PolarHBondContact O-OG 3.27Å; I116-G120 PolarHBondContact O-N 3.37Å; I116-A132 WeakPolarHBondContact O-CB 3.45Å; I116-A135 HydrophobicContact CG2-CB 3.69Å; I116-F211 HydrophobicContact CG1-CE2 4.47Å; I116-F211 HydrophobicContact CG1-CZ 4.43Å; I116-F211 HydrophobicContact CG2-CB 4.06Å; I116-F211 HydrophobicContact CG2-CD1 3.8Å; I116-F211 HydrophobicContact CG2-CD2 4.11Å; I116-F211 HydrophobicContact CG2-CE1 4.24Å; I116-F211 HydrophobicContact CG2-CG 3.72Å
117L93Very high91.2Very high54 Ų5452.2 Ų52.228%0.28326%0.26SS..Hα-helixtrans-65-48.5177.5-178.667.6000111.4V113 Y114 S119 G120 W121 L133 V136V113-L117 PolarHBondContact O-N 3.49Å; Y114-L117 PolarHBondContact O-N 2.74Å; L117-S119 VanDerWaalsContact C-N 3.28Å; L117-S119 PolarHBondContact O-N 3.24Å; L117-G120 PolarHBondContact O-N 2.89Å; L117-W121 WeakPolarHBondContact O-CB 3.32Å; L117-W121 PolarHBondContact O-N 2.75Å; L117-L133 HydrophobicContact CD1-CD2 4.47Å; L117-V136 HydrophobicContact CB-CG2 3.9Å; L117-V136 HydrophobicContact CD1-CG2 4.07Å; L117-V136 HydrophobicContact CG-CG2 4.48Å
118W93.5Very high90.9Very high90 Ų9049.4 Ų49.434%0.34124%0.237SC..Hα-helixtrans-64.1-37.2179.3-69-2.8000111.2L70 A74 L77 Y114 A122L70-W118 HydrophobicContact CD2-CB 4.41Å; L70-W118 HydrophobicContact CD2-CD2 3.9Å; L70-W118 HydrophobicContact CD2-CE3 4Å; L70-W118 HydrophobicContact CD2-CG 4.09Å; A74-W118 HydrophobicContact CB-CB 4.01Å; L77-W118 HydrophobicContact CD1-CH2 4.4Å; L77-W118 HydrophobicContact CD1-CZ3 3.9Å; Y114-W118 VanDerWaalsContact O-CB 3.26Å; Y114-W118 WeakPolarHBondContact O-CB 3.27Å; Y114-W118 PolarHBondContact O-N 3.27Å; W118-A122 WeakPolarHBondContact O-CB 3.49Å; W118-A122 PolarHBondContact O-N 3.29Å
119S91.1Very high90.7Very high0 Ų051.4 Ų51.40%025%0.246CC..Hα-helixtrans-64.7-45.1180700000112.4S115 I116 L117 S123 F211 Y215S115-S119 VanDerWaalsContact O-CB 3.29Å; S115-S119 WeakPolarHBondContact O-CB 3.18Å; S115-S119 PolarHBondContact O-N 2.96Å; S115-S119 PolarHBondContact O-OG 3.09Å; I116-S119 PolarHBondContact O-N 2.99Å; I116-S119 PolarHBondContact O-OG 3.27Å; L117-S119 VanDerWaalsContact C-N 3.28Å; L117-S119 PolarHBondContact O-N 3.24Å; S119-S123 PolarHBondContact O-N 3.37Å; S119-S123 PolarHBondContact O-OG 3.23Å; S119-S123 VanDerWaalsContact O-OG 3.07Å; S119-F211 VanDerWaalsContact OG-CD2 3.27Å; S119-F211 WeakPolarHBondContact OG-CD2 3.43Å; S119-Y215 VanDerWaalsContact CA-OH 3.27Å; S119-Y215 WeakPolarHBondContact CA-OH 2.99Å; S119-Y215 WeakPolarHBondContact CB-OH 3.33Å; S119-Y215 PolarHBondContact O-OH 2.83Å
120G90.4Very high90.6Very high0 Ų055.2 Ų55.20%027%0.265CS..Hα-helixtrans-71.6-35.118000000113.6I116 L117 S123I116-G120 PolarHBondContact O-N 3.37Å; L117-G120 PolarHBondContact O-N 2.89Å; G120-S123 PolarHBondContact O-OG 3.45Å
121W92Very high90.5Very high159 Ų15953.2 Ų53.260%0.60225%0.251SS*.Hα-helixtrans-70.9-40.2174.1-168.975.5000111.8L70 L117 S123 N124 L129L70-W121 HydrophobicContact CD1-CE3 3.46Å; L70-W121 VanDerWaalsContact CD1-CE3 3.46Å; L70-W121 HydrophobicContact CD1-CZ3 3.43Å; L70-W121 VanDerWaalsContact CD1-CZ3 3.43Å; L117-W121 WeakPolarHBondContact O-CB 3.32Å; L117-W121 PolarHBondContact O-N 2.75Å; W121-S123 VanDerWaalsContact C-N 3.32Å; W121-S123 PolarHBondContact O-N 2.74Å; W121-N124 PolarHBondContact O-N 3.48Å; W121-L129 HydrophobicContact CB-CD1 4.49Å
122A91.1Very high90.4Very high0 Ų049.4 Ų49.40%023%0.232CC..Hα-helixtrans-66.7-30.6-17800000113.5S66 A67 L70 W118 N124S66-A122 CarbonylContact C-O 3.46Å; S66-A122 WeakPolarHBondContact CA-O 3.5Å; S66-A122 WeakPolarHBondContact CB-O 3.27Å; A67-A122 HydrophobicContact CB-CB 4.45Å; A67-A122 PolarHBondContact N-O 2.88Å; L70-A122 HydrophobicContact CB-CB 3.72Å; W118-A122 WeakPolarHBondContact O-CB 3.49Å; W118-A122 PolarHBondContact O-N 3.29Å; A122-N124 VanDerWaalsContact C-N 3.3Å; A122-N124 PolarHBondContact O-N 3.48Å
123S85.9Confident90.4Very high0 Ų053 Ų530%025%0.248CC..Hα-helixtrans-67.2-25.8176.134.30000113.8S119 G120 W121 S125 A128 E214S119-S123 PolarHBondContact O-N 3.37Å; S119-S123 PolarHBondContact O-OG 3.23Å; S119-S123 VanDerWaalsContact O-OG 3.07Å; G120-S123 PolarHBondContact O-OG 3.45Å; W121-S123 VanDerWaalsContact C-N 3.32Å; W121-S123 PolarHBondContact O-N 2.74Å; S123-S125 PolarHBondContact O-N 2.82Å; S123-A128 WeakPolarHBondContact OG-CB 3.21Å; S123-E214 VanDerWaalsContact CA-OE2 3.31Å; S123-E214 WeakPolarHBondContact CA-OE2 3.44Å; S123-E214 WeakPolarHBondContact CB-OE2 3.42Å; S123-E214 VanDerWaalsContact O-CD 3.28Å
124N88.2Confident90.3Very high109 Ų10954.1 Ų54.158%0.58325%0.25SS*.THydrogen-bonded Turntrans56.932.1-179.2-16119000114T65 W121 A122T65-N124 VanDerWaalsContact O-CB 3.29Å; T65-N124 WeakPolarHBondContact O-CB 3.4Å; T65-N124 PolarHBondContact O-ND2 3.31Å; W121-N124 PolarHBondContact O-N 3.48Å; A122-N124 VanDerWaalsContact C-N 3.3Å; A122-N124 PolarHBondContact O-N 3.48Å
125S87.5Confident90.1Very high25 Ų2548.6 Ų48.618%0.17523%0.228CC..  trans-111.1141165.445.30000111.6S123 Y127 A128 L129 E214S123-S125 PolarHBondContact O-N 2.82Å; S125-Y127 VanDerWaalsContact C-N 3.29Å; S125-Y127 PolarHBondContact O-N 3.02Å; S125-A128 PolarHBondContact O-N 3.08Å; S125-A128 VanDerWaalsContact OG-CB 3.23Å; S125-A128 WeakPolarHBondContact OG-CB 3.49Å; S125-L129 PolarHBondContact O-N 3.11Å; S125-E214 WeakPolarHBondContact CB-OE1 3.26Å; S125-E214 PolarHBondContact OG-OE1 3.3Å
126N87.8Confident90.1Very high128 Ų12849.4 Ų49.468%0.68423%0.233SC*.Hα-helixtrans-59.8-39.5-177.8-65.9-22.7000112.1L129 I130N126-L129 PolarHBondContact O-N 2.79Å; N126-I130 WeakPolarHBondContact O-CD1 3.41Å; N126-I130 WeakPolarHBondContact O-CG1 3.43Å; N126-I130 PolarHBondContact O-N 2.97Å
127Y89.1Confident90Very high149 Ų14949.8 Ų49.858%0.58424%0.239SC*.Hα-helixtrans-67.9-40.8178.8-69.8-76.2000112.6S125 L129 I130 G131 L207S125-Y127 VanDerWaalsContact C-N 3.29Å; S125-Y127 PolarHBondContact O-N 3.02Å; Y127-L129 VanDerWaalsContact C-N 3.34Å; Y127-I130 PolarHBondContact O-N 3.39Å; Y127-G131 PolarHBondContact O-N 3.27Å; Y127-L207 HydrophobicContact CD1-CD2 4.12Å
128A88.1Confident89.9Confident0 Ų047.2 Ų47.20%023%0.226CC..Hα-helixtrans-66.3-38.7177.300000111.8S123 S125 G131 A132 G210S123-A128 WeakPolarHBondContact OG-CB 3.21Å; S125-A128 PolarHBondContact O-N 3.08Å; S125-A128 VanDerWaalsContact OG-CB 3.23Å; S125-A128 WeakPolarHBondContact OG-CB 3.49Å; A128-G131 PolarHBondContact O-N 3.41Å; A128-A132 WeakPolarHBondContact O-CB 3.38Å; A128-A132 PolarHBondContact O-N 3Å; A128-G210 VanDerWaalsContact CA-O 3.28Å; A128-G210 WeakPolarHBondContact CA-O 3.15Å
129L90.1Very high89.8Confident62 Ų6243.3 Ų43.333%0.32521%0.212SC..Hα-helixtrans-65.7-43.4175-173.364.5000112.1W121 S125 N126 Y127 G131 A132 L133W121-L129 HydrophobicContact CB-CD1 4.49Å; S125-L129 PolarHBondContact O-N 3.11Å; N126-L129 PolarHBondContact O-N 2.79Å; Y127-L129 VanDerWaalsContact C-N 3.34Å; L129-G131 VanDerWaalsContact C-N 3.35Å; L129-A132 PolarHBondContact O-N 3.45Å; L129-L133 HydrophobicContact CG-CD1 4.27Å; L129-L133 WeakPolarHBondContact O-CG 3.35Å; L129-L133 PolarHBondContact O-N 3.12Å
130I89.4Confident89.7Confident85 Ų8547.6 Ų47.644%0.43623%0.234SC..Hα-helixtrans-62.3-43.5176.2-68.9164000110.7N126 Y127 L133 R134 L207N126-I130 WeakPolarHBondContact O-CD1 3.41Å; N126-I130 WeakPolarHBondContact O-CG1 3.43Å; N126-I130 PolarHBondContact O-N 2.97Å; Y127-I130 PolarHBondContact O-N 3.39Å; I130-L133 PolarHBondContact O-N 3.48Å; I130-R134 WeakPolarHBondContact O-CG 3.23Å; I130-R134 PolarHBondContact O-N 2.64Å; I130-L207 HydrophobicContact CG2-CD2 4.09Å
131G88.8Confident89.8Confident0 Ų047.8 Ų47.80%024%0.235CC..Hα-helixtrans-60.9-45.6175.900000112.5Y127 A128 L129 R134 A135Y127-G131 PolarHBondContact O-N 3.27Å; A128-G131 PolarHBondContact O-N 3.41Å; L129-G131 VanDerWaalsContact C-N 3.35Å; G131-R134 PolarHBondContact O-N 3.13Å; G131-A135 WeakPolarHBondContact O-CB 3.39Å; G131-A135 PolarHBondContact O-N 3.04Å
132A91.4Very high89.7Confident0 Ų040.3 Ų40.30%021%0.207CC..Hα-helixtrans-63.1-44.417700000112.5I116 A128 L129 R134 A135 V136 F211I116-A132 WeakPolarHBondContact O-CB 3.45Å; A128-A132 WeakPolarHBondContact O-CB 3.38Å; A128-A132 PolarHBondContact O-N 3Å; L129-A132 PolarHBondContact O-N 3.45Å; A132-R134 VanDerWaalsContact C-N 3.33Å; A132-R134 PolarHBondContact O-N 2.97Å; A132-A135 PolarHBondContact O-N 2.85Å; A132-V136 WeakPolarHBondContact O-CB 3.48Å; A132-V136 WeakPolarHBondContact O-CG2 3.29Å; A132-V136 PolarHBondContact O-N 3.07Å; A132-F211 HydrophobicContact CB-CB 4.2Å
133L91.1Very high89.8Confident95 Ų9542.4 Ų42.450%0.49722%0.217SC..Hα-helixtrans-63.9-37.8178-71.5173.4000112.4L117 L129 I130 A137L117-L133 HydrophobicContact CD1-CD2 4.47Å; L129-L133 HydrophobicContact CG-CD1 4.27Å; L129-L133 WeakPolarHBondContact O-CG 3.35Å; L129-L133 PolarHBondContact O-N 3.12Å; I130-L133 PolarHBondContact O-N 3.48Å; L133-A137 WeakPolarHBondContact O-CB 3.31Å; L133-A137 PolarHBondContact O-N 2.92Å
134R90.7Very high90.2Very high39 Ų3945.1 Ų45.115%0.14723%0.233CC..Hα-helixtrans-65.3-44.3174-74.4174.566.4175.52.3111.8I130 G131 A132 A137 Q138 E206 Y282I130-R134 WeakPolarHBondContact O-CG 3.23Å; I130-R134 PolarHBondContact O-N 2.64Å; G131-R134 PolarHBondContact O-N 3.13Å; A132-R134 VanDerWaalsContact C-N 3.33Å; A132-R134 PolarHBondContact O-N 2.97Å; R134-A137 PolarHBondContact O-N 3.31Å; R134-Q138 VanDerWaalsContact O-CB 3.28Å; R134-Q138 WeakPolarHBondContact O-CB 3.35Å; R134-Q138 PolarHBondContact O-N 2.86Å; R134-E206 IonicContact CZ-OE2 3.23Å; R134-E206 VanDerWaalsContact CZ-OE2 3.23Å; R134-E206 IonicContact NH1-OE2 2.68Å; R134-E206 PolarHBondContact NH1-OE2 3.22Å; R134-E206 IonicContact NH2-OE2 3.55Å; R134-E206 PolarHBondContact NH2-OE2 3.05Å; R134-Y282 HydrophobicContact CB-CD2 4.48Å; R134-Y282 HydrophobicContact CB-CE2 4.49Å; R134-Y282 HydrophobicContact CG-CD2 4.39Å
135A89.1Confident90.4Very high0 Ų040 Ų400%021%0.206CC..Hα-helixtrans-62.1-42.7177.300000111.6I116 G131 A132 Q138 T139 A201I116-A135 HydrophobicContact CG2-CB 3.69Å; G131-A135 WeakPolarHBondContact O-CB 3.39Å; G131-A135 PolarHBondContact O-N 3.04Å; A132-A135 PolarHBondContact O-N 2.85Å; A135-Q138 WeakPolarHBondContact O-CB 3.14Å; A135-Q138 PolarHBondContact O-N 3.2Å; A135-T139 WeakPolarHBondContact O-CG2 3.28Å; A135-T139 PolarHBondContact O-N 2.88Å; A135-T139 PolarHBondContact O-OG1 3.27Å; A135-A201 HydrophobicContact CB-CB 3.58Å
136V91.6Very high90.7Very high23 Ų2339 Ų3914%0.13920%0.199CC..Hα-helixtrans-65.7-44.6177.8171.90000111.4V113 L117 A132 Q138 T139 I140V113-V136 HydrophobicContact CG1-CB 4.09Å; V113-V136 HydrophobicContact CG1-CG1 3.93Å; V113-V136 HydrophobicContact CG1-CG2 3.72Å; L117-V136 HydrophobicContact CB-CG2 3.9Å; L117-V136 HydrophobicContact CD1-CG2 4.07Å; L117-V136 HydrophobicContact CG-CG2 4.48Å; A132-V136 WeakPolarHBondContact O-CB 3.48Å; A132-V136 WeakPolarHBondContact O-CG2 3.29Å; A132-V136 PolarHBondContact O-N 3.07Å; V136-Q138 VanDerWaalsContact C-N 3.25Å; V136-Q138 PolarHBondContact O-N 3.46Å; V136-T139 PolarHBondContact O-N 3.39Å; V136-T139 PolarHBondContact O-OG1 3.26Å; V136-I140 HydrophobicContact CG1-CD1 3.67Å; V136-I140 HydrophobicContact CG1-CG1 4.44Å; V136-I140 WeakPolarHBondContact O-CD1 3.49Å; V136-I140 VanDerWaalsContact O-CG1 3.24Å; V136-I140 WeakPolarHBondContact O-CG1 3.31Å; V136-I140 PolarHBondContact O-N 3.06Å; V136-I140 VanDerWaalsContact O-N 3.09Å
137A90.6Very high91.1Very high28 Ų2834.9 Ų34.923%0.23118%0.182CC..Hα-helixtrans-63.5-36.7176.400000111.7L133 R134 S141 Y282L133-A137 WeakPolarHBondContact O-CB 3.31Å; L133-A137 PolarHBondContact O-N 2.92Å; R134-A137 PolarHBondContact O-N 3.31Å; A137-S141 WeakPolarHBondContact O-CB 3.24Å; A137-S141 PolarHBondContact O-N 2.64Å; A137-S141 PolarHBondContact O-OG 3.42Å; A137-Y282 HydrophobicContact CB-CE2 4.22Å; A137-Y282 WeakPolarHBondContact CB-OH 3.43Å
138Q91.1Very high91.4Very high0 Ų029.1 Ų29.10%016%0.161CC..Hα-helixtrans-60.6-58.3173.1-175.9174.5-30.300111R134 A135 V136 I140 S141 Y142 A191 N194 F198 L285R134-Q138 VanDerWaalsContact O-CB 3.28Å; R134-Q138 WeakPolarHBondContact O-CB 3.35Å; R134-Q138 PolarHBondContact O-N 2.86Å; A135-Q138 WeakPolarHBondContact O-CB 3.14Å; A135-Q138 PolarHBondContact O-N 3.2Å; V136-Q138 VanDerWaalsContact C-N 3.25Å; V136-Q138 PolarHBondContact O-N 3.46Å; Q138-I140 PolarHBondContact O-N 3.23Å; Q138-S141 PolarHBondContact O-N 3.02Å; Q138-S141 VanDerWaalsContact O-N 3.1Å; Q138-S141 PolarHBondContact O-OG 3.31Å; Q138-Y142 HydrophobicContact CG-CD2 3.74Å; Q138-Y142 HydrophobicContact CG-CE2 3.52Å; Q138-Y142 WeakPolarHBondContact O-CD2 3.42Å; Q138-Y142 PolarHBondContact O-N 3.09Å; Q138-Y142 VanDerWaalsContact O-N 3.15Å; Q138-A191 PolarHBondContact NE2-O 2.8Å; Q138-N194 PolarHBondContact NE2-OD1 3.44Å; Q138-F198 PolarHBondContact NE2-O 2.77Å; Q138-F198 PolarHBondContact OE1-O 2.91Å; Q138-L285 HydrophobicContact CG-CD1 4.09Å; Q138-L285 HydrophobicContact CG-CD2 4.29Å
139T90.4Very high91.7Very high7 Ų729.1 Ų29.14%0.04316%0.161CC..Hα-helixtrans-58.7-46-175.654.10000112.1V113 A135 V136 S141 Y142 E143V113-T139 VanDerWaalsContact CG1-OG1 3.32Å; V113-T139 WeakPolarHBondContact CG1-OG1 2.99Å; V113-T139 HydrophobicContact CG2-CG2 4.07Å; V113-T139 WeakPolarHBondContact CG2-OG1 3.06Å; A135-T139 WeakPolarHBondContact O-CG2 3.28Å; A135-T139 PolarHBondContact O-N 2.88Å; A135-T139 PolarHBondContact O-OG1 3.27Å; V136-T139 PolarHBondContact O-N 3.39Å; V136-T139 PolarHBondContact O-OG1 3.26Å; T139-S141 VanDerWaalsContact C-N 3.28Å; T139-S141 PolarHBondContact O-N 3.46Å; T139-Y142 PolarHBondContact O-N 2.86Å; T139-E143 WeakPolarHBondContact O-CG 3.45Å; T139-E143 PolarHBondContact O-N 3.03Å
140I90.1Very high92Very high91 Ų9126.4 Ų26.447%0.46715%0.147SC..Hα-helixtrans-58.8-42177.9-65166.7000111V136 Q138 Y142 E143V136-I140 HydrophobicContact CG1-CD1 3.67Å; V136-I140 HydrophobicContact CG1-CG1 4.44Å; V136-I140 WeakPolarHBondContact O-CD1 3.49Å; V136-I140 VanDerWaalsContact O-CG1 3.24Å; V136-I140 WeakPolarHBondContact O-CG1 3.31Å; V136-I140 PolarHBondContact O-N 3.06Å; V136-I140 VanDerWaalsContact O-N 3.09Å; Q138-I140 PolarHBondContact O-N 3.23Å; I140-Y142 PolarHBondContact O-N 3.08Å; I140-E143 PolarHBondContact O-N 3.25Å
141S91.3Very high92.2Very high4 Ų426.1 Ų26.13%0.02815%0.146CC..Hα-helixtrans-66.8-35.4-178.567.10000113.2A137 Q138 T139 L289A137-S141 WeakPolarHBondContact O-CB 3.24Å; A137-S141 PolarHBondContact O-N 2.64Å; A137-S141 PolarHBondContact O-OG 3.42Å; Q138-S141 PolarHBondContact O-N 3.02Å; Q138-S141 VanDerWaalsContact O-N 3.1Å; Q138-S141 PolarHBondContact O-OG 3.31Å; T139-S141 VanDerWaalsContact C-N 3.28Å; T139-S141 PolarHBondContact O-N 3.46Å; S141-L289 WeakPolarHBondContact OG-CD1 3.17Å
142Y89.9Confident92.5Very high1 Ų126.1 Ų26.10%0.00415%0.146CC..Hα-helixtrans-77.3-37.8176.3-73.5-74.4000112.9Q138 T139 I140 V144 T145 L146 A191 L285 L289Q138-Y142 HydrophobicContact CG-CD2 3.74Å; Q138-Y142 HydrophobicContact CG-CE2 3.52Å; Q138-Y142 WeakPolarHBondContact O-CD2 3.42Å; Q138-Y142 PolarHBondContact O-N 3.09Å; Q138-Y142 VanDerWaalsContact O-N 3.15Å; T139-Y142 PolarHBondContact O-N 2.86Å; I140-Y142 PolarHBondContact O-N 3.08Å; Y142-V144 PolarHBondContact O-N 3.42Å; Y142-T145 PolarHBondContact O-N 3.5Å; Y142-T145 PolarHBondContact O-OG1 3.49Å; Y142-L146 WeakPolarHBondContact O-CB 3.43Å; Y142-L146 PolarHBondContact O-N 2.91Å; Y142-A191 HydrophobicContact CD1-CB 3.69Å; Y142-A191 HydrophobicContact CD2-CB 3.57Å; Y142-A191 HydrophobicContact CE1-CB 3.26Å; Y142-A191 HydrophobicContact CE2-CB 3.15Å; Y142-A191 HydrophobicContact CG-CB 3.84Å; Y142-A191 VanDerWaalsContact OH-CB 3.31Å; Y142-A191 WeakPolarHBondContact OH-CB 3.43Å; Y142-L285 HydrophobicContact CE2-CD1 3.85Å; Y142-L285 HydrophobicContact CE2-CD2 3.64Å; Y142-L285 HydrophobicContact CE2-CG 3.96Å; Y142-L285 WeakPolarHBondContact OH-CD1 3.36Å; Y142-L285 WeakPolarHBondContact OH-CG 3.37Å; Y142-L289 HydrophobicContact CD1-CD1 3.45Å; Y142-L289 VanDerWaalsContact CD1-CD1 3.45Å; Y142-L289 HydrophobicContact CD1-CD2 3.11Å; Y142-L289 HydrophobicContact CD1-CG 3.7Å; Y142-L289 HydrophobicContact CD2-CD1 3.6Å; Y142-L289 HydrophobicContact CE1-CD1 3.23Å; Y142-L289 HydrophobicContact CE1-CD2 3.15Å; Y142-L289 HydrophobicContact CE1-CG 3.34Å; Y142-L289 HydrophobicContact CE2-CD1 3.35Å; Y142-L289 HydrophobicContact CE2-CG 4.37Å; Y142-L289 HydrophobicContact CG-CD1 3.62Å; Y142-L289 HydrophobicContact CG-CD2 3.99Å; Y142-L289 HydrophobicContact CG-CG 4.34Å
143E93Very high92.6Very high44 Ų4426.2 Ų26.221%0.20615%0.146CC..Hα-helixtrans-55.2-38.5179.8-82.8175.9-156.400112.6S110 V113 T139 I140 T145 L146 A147S110-E143 VanDerWaalsContact CA-OE1 3.32Å; S110-E143 WeakPolarHBondContact CA-OE1 3.39Å; S110-E143 WeakPolarHBondContact CB-OE2 3.24Å; V113-E143 WeakPolarHBondContact CG2-OE1 3.43Å; T139-E143 WeakPolarHBondContact O-CG 3.45Å; T139-E143 PolarHBondContact O-N 3.03Å; I140-E143 PolarHBondContact O-N 3.25Å; E143-T145 PolarHBondContact O-N 3.22Å; E143-L146 WeakPolarHBondContact O-CB 3.27Å; E143-L146 PolarHBondContact O-N 3.48Å; E143-A147 WeakPolarHBondContact O-CB 3.49Å; E143-A147 PolarHBondContact O-N 3Å
144V94.6Very high92.6Very high58 Ų5822.2 Ų22.235%0.35213%0.126SC..Hα-helixtrans-59.9-49.2176.4178.50000110.7Y142 I148 L294Y142-V144 PolarHBondContact O-N 3.42Å; V144-I148 HydrophobicContact CG1-CD1 4.14Å; V144-I148 WeakPolarHBondContact O-CD1 3.27Å; V144-I148 VanDerWaalsContact O-CG1 3.32Å; V144-I148 WeakPolarHBondContact O-CG1 3.5Å; V144-I148 PolarHBondContact O-N 3.22Å; V144-L294 HydrophobicContact CG1-CD1 3.71Å
145T93.4Very high92.8Very high1 Ų123.2 Ų23.21%0.00613%0.133CC..Hα-helixtrans-69-38.2178.557.10000112.2Y142 E143 A147 I148 I149 L289 F293 L294Y142-T145 PolarHBondContact O-N 3.5Å; Y142-T145 PolarHBondContact O-OG1 3.49Å; E143-T145 PolarHBondContact O-N 3.22Å; T145-A147 PolarHBondContact O-N 2.64Å; T145-I148 PolarHBondContact O-N 3.47Å; T145-I149 WeakPolarHBondContact O-CB 3.19Å; T145-I149 WeakPolarHBondContact O-CD1 3.31Å; T145-I149 WeakPolarHBondContact O-CG1 3.23Å; T145-I149 PolarHBondContact O-N 3.43Å; T145-L289 HydrophobicContact CG2-CD2 4.03Å; T145-F293 HydrophobicContact CG2-CB 4.06Å; T145-L294 HydrophobicContact CG2-CB 4.42Å
146L93.4Very high92.9Very high5 Ų525.4 Ų25.43%0.02614%0.144CC..Hα-helixtrans-58.6-47.1177.8-166.485.6000110.9L106 Y142 E143 I149 L150 W185 T189 E192L106-L146 HydrophobicContact CD2-CD2 3.68Å; L106-L146 HydrophobicContact CD2-CG 4.34Å; Y142-L146 WeakPolarHBondContact O-CB 3.43Å; Y142-L146 PolarHBondContact O-N 2.91Å; E143-L146 WeakPolarHBondContact O-CB 3.27Å; E143-L146 PolarHBondContact O-N 3.48Å; L146-I149 PolarHBondContact O-N 3.33Å; L146-L150 HydrophobicContact CG-CD1 4.41Å; L146-L150 WeakPolarHBondContact O-CB 3.06Å; L146-L150 WeakPolarHBondContact O-CG 3.26Å; L146-L150 PolarHBondContact O-N 3.35Å; L146-W185 HydrophobicContact CB-CZ3 4.48Å; L146-W185 HydrophobicContact CD1-CE3 3.78Å; L146-W185 HydrophobicContact CD1-CH2 3.34Å; L146-W185 HydrophobicContact CD1-CZ2 4.1Å; L146-W185 HydrophobicContact CD1-CZ3 3.15Å; L146-W185 HydrophobicContact CD2-CH2 4.4Å; L146-W185 HydrophobicContact CG-CE3 4.38Å; L146-W185 HydrophobicContact CG-CH2 3.77Å; L146-W185 HydrophobicContact CG-CZ3 3.46Å; L146-W185 VanDerWaalsContact CG-CZ3 3.46Å; L146-T189 HydrophobicContact CD1-CG2 4.25Å; L146-E192 WeakPolarHBondContact CD2-OE2 3.26Å
147A95.3Very high92.9Very high41 Ų4124.5 Ų24.534%0.33914%0.139SC..Hα-helixtrans-64.6-41.6179.200000112.4L106 E143 T145 L150 L151L106-A147 HydrophobicContact CD1-CB 4.49Å; E143-A147 WeakPolarHBondContact O-CB 3.49Å; E143-A147 PolarHBondContact O-N 3Å; T145-A147 PolarHBondContact O-N 2.64Å; A147-L150 PolarHBondContact O-N 3.08Å; A147-L151 VanDerWaalsContact O-CB 3.32Å; A147-L151 WeakPolarHBondContact O-CB 3.29Å; A147-L151 PolarHBondContact O-N 3.25Å
148I95.4Very high92.9Very high28 Ų2824.5 Ų24.514%0.14414%0.142CC..Hα-helixtrans-68.6-40.7178.2-63.8166.6000110.9V144 T145 L151 S152 L298 L301V144-I148 HydrophobicContact CG1-CD1 4.14Å; V144-I148 WeakPolarHBondContact O-CD1 3.27Å; V144-I148 VanDerWaalsContact O-CG1 3.32Å; V144-I148 WeakPolarHBondContact O-CG1 3.5Å; V144-I148 PolarHBondContact O-N 3.22Å; T145-I148 PolarHBondContact O-N 3.47Å; I148-L151 PolarHBondContact O-N 2.97Å; I148-S152 PolarHBondContact O-N 3Å; I148-S152 PolarHBondContact O-OG 3.14Å; I148-L298 HydrophobicContact CD1-CD2 4.17Å; I148-L301 HydrophobicContact CG2-CB 4.18Å; I148-L301 HydrophobicContact CG2-CD1 3.86Å
149I95.9Very high93Very high0 Ų025.2 Ų25.20%015%0.147CC..Hα-helixtrans-64.3-45.1176.2-66.2162.3000110.4T145 L146 L151 S152 T153 L181 M184 W185 T297T145-I149 WeakPolarHBondContact O-CB 3.19Å; T145-I149 WeakPolarHBondContact O-CD1 3.31Å; T145-I149 WeakPolarHBondContact O-CG1 3.23Å; T145-I149 PolarHBondContact O-N 3.43Å; L146-I149 PolarHBondContact O-N 3.33Å; I149-L151 PolarHBondContact O-N 3.48Å; I149-S152 WeakPolarHBondContact CA-OG 3.48Å; I149-S152 PolarHBondContact O-N 2.75Å; I149-S152 PolarHBondContact O-OG 2.89Å; I149-T153 WeakPolarHBondContact O-CG2 3.44Å; I149-T153 PolarHBondContact O-N 3.1Å; I149-T153 PolarHBondContact O-OG1 3.19Å; I149-L181 HydrophobicContact CG1-CD2 4.2Å; I149-L181 HydrophobicContact CG2-CB 4.08Å; I149-L181 HydrophobicContact CG2-CD2 4.2Å; I149-M184 HydrophobicContact CD1-CB 3.81Å; I149-W185 HydrophobicContact CB-CE3 4.29Å; I149-W185 HydrophobicContact CG2-CB 3.96Å; I149-W185 HydrophobicContact CG2-CE3 3.88Å; I149-T297 HydrophobicContact CD1-CG2 3.85Å; I149-T297 HydrophobicContact CG1-CG2 3.54Å
150L94.7Very high93.1Very high5 Ų528.2 Ų28.23%0.02616%0.159CC..Hα-helixtrans-60-47.7174.5-79.1165.9000111.6L102 L106 L146 A147 S152 T153 L154 W185 I241L102-L150 HydrophobicContact CD2-CD2 3.93Å; L106-L150 HydrophobicContact CD1-CD1 3.73Å; L106-L150 HydrophobicContact CD2-CD1 3.69Å; L106-L150 HydrophobicContact CG-CD1 3.74Å; L146-L150 HydrophobicContact CG-CD1 4.41Å; L146-L150 WeakPolarHBondContact O-CB 3.06Å; L146-L150 WeakPolarHBondContact O-CG 3.26Å; L146-L150 PolarHBondContact O-N 3.35Å; A147-L150 PolarHBondContact O-N 3.08Å; L150-S152 VanDerWaalsContact C-N 3.3Å; L150-S152 PolarHBondContact O-N 3.44Å; L150-T153 PolarHBondContact O-N 2.91Å; L150-T153 PolarHBondContact O-OG1 2.95Å; L150-L154 WeakPolarHBondContact O-CB 3.06Å; L150-L154 WeakPolarHBondContact O-CD1 3.38Å; L150-L154 WeakPolarHBondContact O-CG 3.46Å; L150-L154 PolarHBondContact O-N 3.44Å; L150-W185 HydrophobicContact CD1-CH2 3.8Å; L150-W185 HydrophobicContact CD1-CZ3 3.64Å; L150-W185 HydrophobicContact CD2-CE3 4.46Å; L150-W185 HydrophobicContact CD2-CH2 3.92Å; L150-W185 HydrophobicContact CD2-CZ3 3.75Å; L150-W185 HydrophobicContact CG-CE3 4.23Å; L150-W185 HydrophobicContact CG-CH2 3.89Å; L150-W185 HydrophobicContact CG-CZ3 3.38Å; L150-I241 HydrophobicContact CD2-CD1 3.39Å; L150-I241 HydrophobicContact CD2-CG1 4.4Å
151L94.9Very high93.3Very high78 Ų7824.9 Ų24.941%0.40814%0.142SC..Hα-helixtrans-57.5-45.3179-176.961.2000111.6A147 I148 I149 L154 L155 L301A147-L151 VanDerWaalsContact O-CB 3.32Å; A147-L151 WeakPolarHBondContact O-CB 3.29Å; A147-L151 PolarHBondContact O-N 3.25Å; I148-L151 PolarHBondContact O-N 2.97Å; I149-L151 PolarHBondContact O-N 3.48Å; L151-L154 PolarHBondContact O-N 3.2Å; L151-L155 WeakPolarHBondContact O-CG 3.5Å; L151-L155 PolarHBondContact O-N 3.43Å; L151-L301 HydrophobicContact CD2-CD1 3.77Å; L151-L301 HydrophobicContact CG-CD1 4.22Å
152S94.3Very high93.4Very high0 Ų024.7 Ų24.70%014%0.141CC..Hα-helixtrans-65.8-37.7179.3540000113.6I148 I149 L150 L181I148-S152 PolarHBondContact O-N 3Å; I148-S152 PolarHBondContact O-OG 3.14Å; I149-S152 WeakPolarHBondContact CA-OG 3.48Å; I149-S152 PolarHBondContact O-N 2.75Å; I149-S152 PolarHBondContact O-OG 2.89Å; L150-S152 VanDerWaalsContact C-N 3.3Å; L150-S152 PolarHBondContact O-N 3.44Å; S152-L181 WeakPolarHBondContact OG-CD1 3.29Å; S152-L181 WeakPolarHBondContact OG-CD2 3.39Å
153T92.9Very high93.5Very high2 Ų226.2 Ų26.21%0.01215%0.152CC..Hα-helixtrans-68.2-36.8172.757.50000112.6I149 L150 L155 M156 L174 L181 I241 F242I149-T153 WeakPolarHBondContact O-CG2 3.44Å; I149-T153 PolarHBondContact O-N 3.1Å; I149-T153 PolarHBondContact O-OG1 3.19Å; L150-T153 PolarHBondContact O-N 2.91Å; L150-T153 PolarHBondContact O-OG1 2.95Å; T153-L155 VanDerWaalsContact C-N 3.3Å; T153-L155 PolarHBondContact O-N 3.37Å; T153-M156 WeakPolarHBondContact O-CB 3.29Å; T153-M156 PolarHBondContact O-N 3.32Å; T153-M156 VanDerWaalsContact O-N 3.13Å; T153-L174 HydrophobicContact CG2-CD2 4.36Å; T153-L181 HydrophobicContact CG2-CB 4.39Å; T153-L181 HydrophobicContact CG2-CD1 3.95Å; T153-I241 HydrophobicContact CG2-CG2 4.34Å; T153-F242 HydrophobicContact CG2-CE1 3.65Å; T153-F242 HydrophobicContact CG2-CZ 3.66Å
154L92.6Very high93.5Very high12 Ų1225.3 Ų25.36%0.06315%0.15CC..Hα-helixtrans-67.7-28.1-179-74.3168.3000113.4L102 L150 L151 M156 S157 G158 S159 F160L102-L154 HydrophobicContact CD1-CD1 3.93Å; L102-L154 HydrophobicContact CD1-CD2 3.19Å; L102-L154 HydrophobicContact CD1-CG 3.96Å; L150-L154 WeakPolarHBondContact O-CB 3.06Å; L150-L154 WeakPolarHBondContact O-CD1 3.38Å; L150-L154 WeakPolarHBondContact O-CG 3.46Å; L150-L154 PolarHBondContact O-N 3.44Å; L151-L154 PolarHBondContact O-N 3.2Å; L154-M156 PolarHBondContact O-N 3.33Å; L154-M156 VanDerWaalsContact O-N 3.14Å; L154-S157 WeakPolarHBondContact CA-OG 3.38Å; L154-S157 WeakPolarHBondContact O-CA 3.34Å; L154-S157 PolarHBondContact O-N 3.33Å; L154-S157 PolarHBondContact O-OG 3.28Å; L154-G158 PolarHBondContact O-N 2.87Å; L154-S159 VanDerWaalsContact CD2-O 3.25Å; L154-S159 WeakPolarHBondContact CD2-O 3.15Å; L154-F160 HydrophobicContact CD1-CD1 3.5Å; L154-F160 HydrophobicContact CD1-CE1 3.57Å
155L93.4Very high93.4Very high59 Ų5922.6 Ų22.631%0.30913%0.133SC..THydrogen-bonded Turntrans-58.9-22.7173.2-69.6171.3000113L151 T153 V305 P315L151-L155 WeakPolarHBondContact O-CG 3.5Å; L151-L155 PolarHBondContact O-N 3.43Å; T153-L155 VanDerWaalsContact C-N 3.3Å; T153-L155 PolarHBondContact O-N 3.37Å; L155-V305 HydrophobicContact CD1-CB 4.38Å; L155-V305 HydrophobicContact CD1-CG2 3.48Å; L155-V305 VanDerWaalsContact CD1-CG2 3.48Å; L155-P315 WeakPolarHBondContact O-CD 3.48Å; L155-P315 VanDerWaalsContact O-CG 3.23Å; L155-P315 WeakPolarHBondContact O-CG 3.45Å
156M91.1Very high93.4Very high47 Ų4723 Ų2323%0.23214%0.135CC..THydrogen-bonded Turntrans-83.3-20172.9-61-170.861.800113.3T153 L154 L174 P177 Y304 P315T153-M156 WeakPolarHBondContact O-CB 3.29Å; T153-M156 PolarHBondContact O-N 3.32Å; T153-M156 VanDerWaalsContact O-N 3.13Å; L154-M156 PolarHBondContact O-N 3.33Å; L154-M156 VanDerWaalsContact O-N 3.14Å; M156-L174 HydrophobicContact CB-CD1 3.93Å; M156-L174 HydrophobicContact CE-CD1 3.79Å; M156-L174 HydrophobicContact CG-CD1 4.44Å; M156-L174 HydrophobicContact SD-CD1 3.74Å; M156-P177 HydrophobicContact CE-CB 3.81Å; M156-P177 HydrophobicContact CE-CG 3.6Å; M156-P177 HydrophobicContact SD-CB 4.36Å; M156-P177 HydrophobicContact SD-CG 4.25Å; M156-Y304 HydrophobicContact CG-CD1 4.18Å; M156-Y304 HydrophobicContact SD-CD1 3.99Å; M156-Y304 HydrophobicContact SD-CE1 3.77Å; M156-P315 WeakPolarHBondContact O-CB 3.49Å
157S92.1Very high93.3Very high4 Ų426.6 Ų26.63%0.02816%0.157CC..THydrogen-bonded Turntrans-97.8-27.2-17970.80000114.5L154 S159L154-S157 WeakPolarHBondContact CA-OG 3.38Å; L154-S157 WeakPolarHBondContact O-CA 3.34Å; L154-S157 PolarHBondContact O-N 3.33Å; L154-S157 PolarHBondContact O-OG 3.28Å; S157-S159 VanDerWaalsContact C-N 3.3Å; S157-S159 PolarHBondContact O-N 3.36Å; S157-S159 PolarHBondContact OG-O 2.91Å
158G90.6Very high93.2Very high28 Ų2827 Ų2729%0.28916%0.156SC..SBendtrans82.2-9.9178.500000116.1L154 P315L154-G158 PolarHBondContact O-N 2.87Å; G158-P315 VanDerWaalsContact N-CG 3.34Å
159S93.1Very high93.1Very high15 Ų1525.8 Ų25.811%0.10515%0.149CC..SBendtrans-144.8160.6-176.9560000112.5L154 S157 T164L154-S159 VanDerWaalsContact CD2-O 3.25Å; L154-S159 WeakPolarHBondContact CD2-O 3.15Å; S157-S159 VanDerWaalsContact C-N 3.3Å; S157-S159 PolarHBondContact O-N 3.36Å; S157-S159 PolarHBondContact OG-O 2.91Å; S159-T164 VanDerWaalsContact OG-CB 3.28Å; S159-T164 WeakPolarHBondContact OG-CB 3.37Å; S159-T164 WeakPolarHBondContact OG-CG2 3.02Å; S159-T164 PolarHBondContact OG-OG1 3.1Å
160F93.1Very high92.8Very high69 Ų6930 Ų3030%0.30317%0.169SC..SBendtrans-91.31.6177.8-69.4-82.9000113.7N99 L100 G101 L102 L103 L154N99-F160 CarbonylContact O-C 3.35Å; L100-F160 HydrophobicContact CD2-CB 3.93Å; L100-F160 HydrophobicContact CD2-CD2 3.96Å; L100-F160 HydrophobicContact CD2-CG 4.19Å; G101-F160 PolarHBondContact N-O 3.13Å; L102-F160 PolarHBondContact N-O 3.42Å; L102-F160 VanDerWaalsContact N-O 3.12Å; L103-F160 HydrophobicContact CD1-CD1 4.2Å; L103-F160 HydrophobicContact CD1-CE1 4.33Å; L103-F160 HydrophobicContact CD1-CG 4.33Å; L103-F160 HydrophobicContact CD2-CD1 4.36Å; L103-F160 HydrophobicContact CD2-CE1 4.18Å; L103-F160 HydrophobicContact CG-CD1 3.86Å; L103-F160 HydrophobicContact CG-CE1 4.12Å; L103-F160 HydrophobicContact CG-CG 4.36Å; L154-F160 HydrophobicContact CD1-CD1 3.5Å; L154-F160 HydrophobicContact CD1-CE1 3.57Å
161N94.5Very high92.6Very high21 Ų2138.2 Ų38.211%0.11221%0.207CC..  trans-76.1137.8178.9-166.6-13.3000109.4N97 L98 N99 S163 T164N97-N161 PolarHBondContact OD1-ND2 3.28Å; N97-N161 VanDerWaalsContact OD1-ND2 3.07Å; N97-N161 PolarHBondContact OD1-OD1 2.88Å; L98-N161 PolarHBondContact O-OD1 2.82Å; N99-N161 PolarHBondContact O-N 2.64Å; N161-S163 VanDerWaalsContact C-N 3.35Å; N161-S163 PolarHBondContact ND2-OG 2.61Å; N161-S163 PolarHBondContact OD1-N 3.46Å; N161-S163 VanDerWaalsContact OD1-N 3.13Å; N161-S163 PolarHBondContact OD1-OG 3.37Å; N161-T164 HydrophobicContact CB-CG2 4.11Å; N161-T164 PolarHBondContact O-OG1 2.8Å
162L92.4Very high92.5Very high1 Ų140 Ų401%0.00522%0.216CC..THydrogen-bonded Turntrans-75.5-25.6177.3-74.3157.2000112.2P88 L89 P90 L102 I105 T164 L165P88-L162 HydrophobicContact CB-CD1 4.04Å; P88-L162 HydrophobicContact CG-CD1 4.22Å; P88-L162 VanDerWaalsContact O-CD1 3.29Å; P88-L162 WeakPolarHBondContact O-CD1 3.14Å; L89-L162 HydrophobicContact CD2-CD1 4.46Å; P90-L162 HydrophobicContact CG-CB 3.87Å; L102-L162 HydrophobicContact CD1-CD2 4.18Å; L102-L162 HydrophobicContact CD2-CD2 3.74Å; L102-L162 HydrophobicContact CD2-CG 4.47Å; L102-L162 HydrophobicContact CG-CD2 3.7Å; L102-L162 HydrophobicContact CG-CG 4.01Å; I105-L162 HydrophobicContact CD1-CD1 3.7Å; L162-T164 VanDerWaalsContact C-N 3.35Å; L162-L165 HydrophobicContact CD2-CD1 4.17Å; L162-L165 WeakPolarHBondContact O-CB 3.2Å; L162-L165 PolarHBondContact O-N 2.8Å
163S92.4Very high92.5Very high33 Ų3345.9 Ų45.923%0.23124%0.239CC..THydrogen-bonded Turntrans-71.1-31.2178.4650000112.5N161 L165 I166N161-S163 VanDerWaalsContact C-N 3.35Å; N161-S163 PolarHBondContact ND2-OG 2.61Å; N161-S163 PolarHBondContact OD1-N 3.46Å; N161-S163 VanDerWaalsContact OD1-N 3.13Å; N161-S163 PolarHBondContact OD1-OG 3.37Å; S163-L165 VanDerWaalsContact C-N 3.26Å; S163-L165 PolarHBondContact O-N 3.44Å; S163-I166 WeakPolarHBondContact O-CB 2.9Å; S163-I166 PolarHBondContact O-N 3.44Å
164T92.5Very high92.6Very high25 Ų2546.3 Ų46.315%0.15324%0.241CC..Hα-helixtrans-71.3-23.1176.454.30000111.9S159 N161 L162 I166 T167 T168S159-T164 VanDerWaalsContact OG-CB 3.28Å; S159-T164 WeakPolarHBondContact OG-CB 3.37Å; S159-T164 WeakPolarHBondContact OG-CG2 3.02Å; S159-T164 PolarHBondContact OG-OG1 3.1Å; N161-T164 HydrophobicContact CB-CG2 4.11Å; N161-T164 PolarHBondContact O-OG1 2.8Å; L162-T164 VanDerWaalsContact C-N 3.35Å; T164-I166 PolarHBondContact O-N 3.4Å; T164-T167 PolarHBondContact O-N 3.26Å; T164-T167 PolarHBondContact O-OG1 3.13Å; T164-T168 WeakPolarHBondContact O-CG2 3.49Å; T164-T168 PolarHBondContact O-N 3.5Å; T164-T168 PolarHBondContact O-OG1 2.87Å
165L93.3Very high92.7Very high1 Ų148.7 Ų48.71%0.00525%0.253CS..Hα-helixtrans-65.5-21.4170.6-84.7165.4000113.4L102 L162 S163 T168 Q169 L174 I241L102-L165 HydrophobicContact CD1-CD1 3.77Å; L162-L165 HydrophobicContact CD2-CD1 4.17Å; L162-L165 WeakPolarHBondContact O-CB 3.2Å; L162-L165 PolarHBondContact O-N 2.8Å; S163-L165 VanDerWaalsContact C-N 3.26Å; S163-L165 PolarHBondContact O-N 3.44Å; L165-T168 WeakPolarHBondContact CA-OG1 3Å; L165-T168 PolarHBondContact O-OG1 3.38Å; L165-T168 VanDerWaalsContact O-OG1 3.07Å; L165-Q169 WeakPolarHBondContact O-CG 3.39Å; L165-Q169 PolarHBondContact O-NE2 3.18Å; L165-L174 HydrophobicContact CD2-CD2 4.45Å; L165-I241 HydrophobicContact CD1-CG1 4.22Å
166I93.1Very high92.7Very high10 Ų1050.8 Ų50.85%0.05126%0.264CS..Hα-helixtrans-72.4-47173.5-61.1173.5000109.5P90 S163 T164 T168 Q169 Y255P90-I166 HydrophobicContact CB-CD1 3.82Å; P90-I166 HydrophobicContact CG-CD1 4.08Å; S163-I166 WeakPolarHBondContact O-CB 2.9Å; S163-I166 PolarHBondContact O-N 3.44Å; T164-I166 PolarHBondContact O-N 3.4Å; I166-T168 VanDerWaalsContact C-N 3.34Å; I166-T168 PolarHBondContact O-N 2.81Å; I166-Q169 PolarHBondContact O-N 3.1Å; I166-Y255 HydrophobicContact CD1-CE1 4.46Å; I166-Y255 HydrophobicContact CD1-CE2 3.94Å; I166-Y255 VanDerWaalsContact CD1-OH 3.26Å; I166-Y255 WeakPolarHBondContact CD1-OH 3.17Å; I166-Y255 HydrophobicContact CG1-CE2 4.16Å; I166-Y255 WeakPolarHBondContact CG1-OH 3.05Å; I166-Y255 HydrophobicContact CG2-CE2 3.78Å
167T91.7Very high92.7Very high79 Ų7951.1 Ų51.149%0.48527%0.27SS..Hα-helixtrans-67.5-35.5-179590000111.8T164 Q169 E170T164-T167 PolarHBondContact O-N 3.26Å; T164-T167 PolarHBondContact O-OG1 3.13Å; T167-Q169 PolarHBondContact O-N 3.16Å; T167-E170 WeakPolarHBondContact O-CG 3.39Å; T167-E170 PolarHBondContact O-N 2.87Å
168T92.8Very high92.9Very high51 Ų5151 Ų5131%0.31327%0.269SS..Hα-helixtrans-66.7-23.3177.862.60000113.2T164 L165 I166T164-T168 WeakPolarHBondContact O-CG2 3.49Å; T164-T168 PolarHBondContact O-N 3.5Å; T164-T168 PolarHBondContact O-OG1 2.87Å; L165-T168 WeakPolarHBondContact CA-OG1 3Å; L165-T168 PolarHBondContact O-OG1 3.38Å; L165-T168 VanDerWaalsContact O-OG1 3.07Å; I166-T168 VanDerWaalsContact C-N 3.34Å; I166-T168 PolarHBondContact O-N 2.81Å
169Q93Very high93.1Very high2 Ų257.8 Ų57.81%0.00929%0.286CS..THydrogen-bonded Turntrans-102.212.5-176.8-68.4176.965.900113.6L165 I166 T167 H171 L172 L174 T240 I241 F242L165-Q169 WeakPolarHBondContact O-CG 3.39Å; L165-Q169 PolarHBondContact O-NE2 3.18Å; I166-Q169 PolarHBondContact O-N 3.1Å; T167-Q169 PolarHBondContact O-N 3.16Å; Q169-H171 PolarHBondContact O-N 3.32Å; Q169-L172 WeakPolarHBondContact CA-O 3.2Å; Q169-L174 HydrophobicContact CG-CB 4.03Å; Q169-T240 PolarHBondContact NE2-O 3.48Å; Q169-I241 PolarHBondContact NE2-O 3.28Å; Q169-F242 VanDerWaalsContact OE1-C 3.32Å; Q169-F242 PolarHBondContact OE1-O 3.14Å
170E90.7Very high93.2Very high89 Ų8958.5 Ų58.542%0.41629%0.29SS..SBendtrans-62-41.5179.9-77.9179.6-170.700112.9T167T167-E170 WeakPolarHBondContact O-CG 3.39Å; T167-E170 PolarHBondContact O-N 2.87Å
171H89.6Confident93.3Very high176 Ų17655.2 Ų55.282%0.81528%0.276SS*.SBendtrans-89.9-42.3-176.9-63.1-46.8000113.4Q169Q169-H171 PolarHBondContact O-N 3.32Å
172L92.9Very high93.4Very high116 Ų11654.7 Ų54.761%0.60727%0.274SS*.SBendtrans-142.5139.3-176.4-71.4171.7000109.3Q169 L176Q169-L172 WeakPolarHBondContact CA-O 3.2Å; L172-L176 HydrophobicContact CD2-CD1 4.25Å
173W94.8Very high93.5Very high124 Ų12459.9 Ų59.947%0.4730%0.3SS..  trans-64.6137.4171.8-62.8-23.1000110.7L175 L176 P177 L243 G244W173-L175 HydrophobicContact CB-CB 4.5Å; W173-L175 PolarHBondContact O-N 2.77Å; W173-L175 VanDerWaalsContact O-N 3.14Å; W173-L176 PolarHBondContact O-N 3.08Å; W173-L176 VanDerWaalsContact O-N 3.11Å; W173-P177 VanDerWaalsContact O-CD 3.24Å; W173-P177 WeakPolarHBondContact O-CD 3.27Å; W173-L243 HydrophobicContact CD2-CD2 4.27Å; W173-L243 HydrophobicContact CE3-CD2 4Å; W173-G244 PolarHBondContact NE1-O 2.84Å
174L94.5Very high93.7Very high10 Ų1058.7 Ų58.75%0.05229%0.29CS..THydrogen-bonded Turntrans-64.2-21.2179.2-158.772.3000111.8T153 M156 L165 Q169 L176 P177 S178 I241 F242T153-L174 HydrophobicContact CG2-CD2 4.36Å; M156-L174 HydrophobicContact CB-CD1 3.93Å; M156-L174 HydrophobicContact CE-CD1 3.79Å; M156-L174 HydrophobicContact CG-CD1 4.44Å; M156-L174 HydrophobicContact SD-CD1 3.74Å; L165-L174 HydrophobicContact CD2-CD2 4.45Å; Q169-L174 HydrophobicContact CG-CB 4.03Å; L174-L176 PolarHBondContact O-N 2.95Å; L174-P177 HydrophobicContact CD1-CG 4.44Å; L174-P177 VanDerWaalsContact O-CD 3.25Å; L174-P177 WeakPolarHBondContact O-CD 3.46Å; L174-P177 WeakPolarHBondContact O-CG 3.37Å; L174-S178 WeakPolarHBondContact O-CB 3.48Å; L174-S178 PolarHBondContact O-N 2.92Å; L174-S178 VanDerWaalsContact O-N 3.11Å; L174-S178 PolarHBondContact O-OG 3.23Å; L174-I241 WeakPolarHBondContact CB-O 3.08Å; L174-I241 HydrophobicContact CD2-CG2 4.31Å; L174-I241 VanDerWaalsContact CD2-O 3.26Å; L174-I241 WeakPolarHBondContact CD2-O 3.25Å; L174-F242 PolarHBondContact N-O 3.24Å
175L94.6Very high93.9Very high62 Ų6257.6 Ų57.633%0.32528%0.284SS..THydrogen-bonded Turntrans-54.9-35.6172.7-172.5131.8000113.4W173 S178 W179 A182 F242 L243W173-L175 HydrophobicContact CB-CB 4.5Å; W173-L175 PolarHBondContact O-N 2.77Å; W173-L175 VanDerWaalsContact O-N 3.14Å; L175-S178 CarbonylContact O-C 3.54Å; L175-W179 WeakPolarHBondContact O-CA 3.49Å; L175-W179 VanDerWaalsContact O-CB 3.27Å; L175-W179 WeakPolarHBondContact O-CB 3.33Å; L175-W179 PolarHBondContact O-N 3.14Å; L175-A182 HydrophobicContact CD1-CB 4.23Å; L175-A182 HydrophobicContact CG-CB 4.3Å; L175-F242 HydrophobicContact CB-CB 4.13Å; L175-F242 WeakPolarHBondContact CB-O 3.42Å; L175-F242 HydrophobicContact CD1-CB 4.41Å; L175-F242 PolarHBondContact N-O 3.29Å; L175-L243 HydrophobicContact CB-CD2 4.16Å; L175-L243 HydrophobicContact CD1-CD2 3.97Å; L175-L243 HydrophobicContact CD1-CG 4.3Å
176L93.6Very high94Very high103 Ų10359.1 Ų59.154%0.53929%0.29SS..THydrogen-bonded Turntrans-68.6-55.7-177-68.8170.9000112.8L172 W173 L174 S178L172-L176 HydrophobicContact CD2-CD1 4.25Å; W173-L176 PolarHBondContact O-N 3.08Å; W173-L176 VanDerWaalsContact O-N 3.11Å; L174-L176 PolarHBondContact O-N 2.95Å; L176-S178 VanDerWaalsContact C-N 3.25Å; L176-S178 PolarHBondContact O-N 3.37Å
177P92.6Very high94Very high55 Ų5560.3 Ų60.336%0.35730%0.296SS..THydrogen-bonded Turntrans-71.9-19.4177.829.3-36.7000113.3M156 W173 L174 Y304M156-P177 HydrophobicContact CE-CB 3.81Å; M156-P177 HydrophobicContact CE-CG 3.6Å; M156-P177 HydrophobicContact SD-CB 4.36Å; M156-P177 HydrophobicContact SD-CG 4.25Å; W173-P177 VanDerWaalsContact O-CD 3.24Å; W173-P177 WeakPolarHBondContact O-CD 3.27Å; L174-P177 HydrophobicContact CD1-CG 4.44Å; L174-P177 VanDerWaalsContact O-CD 3.25Å; L174-P177 WeakPolarHBondContact O-CD 3.46Å; L174-P177 WeakPolarHBondContact O-CG 3.37Å; P177-Y304 PolarHBondContact O-OH 3.47Å
178S94.8Very high94.1Very high0 Ų056.6 Ų56.60%027%0.273CS..THydrogen-bonded Turntrans-120.929.3-176.473.60000114.9L174 L175 L176 P180 L181 A182 F242 Y304L174-S178 WeakPolarHBondContact O-CB 3.48Å; L174-S178 PolarHBondContact O-N 2.92Å; L174-S178 VanDerWaalsContact O-N 3.11Å; L174-S178 PolarHBondContact O-OG 3.23Å; L175-S178 CarbonylContact O-C 3.54Å; L176-S178 VanDerWaalsContact C-N 3.25Å; L176-S178 PolarHBondContact O-N 3.37Å; S178-P180 VanDerWaalsContact C-N 3.33Å; S178-P180 VanDerWaalsContact O-N 3.17Å; S178-L181 CarbonylContact O-C 3.59Å; S178-L181 WeakPolarHBondContact O-CA 3.36Å; S178-L181 WeakPolarHBondContact O-CB 3.36Å; S178-L181 PolarHBondContact O-N 3.4Å; S178-A182 PolarHBondContact O-N 3.49Å; S178-F242 VanDerWaalsContact OG-CE1 3.31Å; S178-F242 WeakPolarHBondContact OG-CE1 3.25Å; S178-Y304 VanDerWaalsContact CA-OH 3.25Å; S178-Y304 WeakPolarHBondContact CA-OH 3.29Å
179W95.1Very high94.2Very high172 Ų17254.1 Ų54.165%0.65226%0.258SS*.Hα-helixtrans-54.3-36.7-177.278.2-96000114.9L175 A182 M183L175-W179 WeakPolarHBondContact O-CA 3.49Å; L175-W179 VanDerWaalsContact O-CB 3.27Å; L175-W179 WeakPolarHBondContact O-CB 3.33Å; L175-W179 PolarHBondContact O-N 3.14Å; W179-A182 PolarHBondContact O-N 3.26Å; W179-M183 PolarHBondContact O-N 3.04Å
180P95.6Very high94.1Very high30 Ų3054.3 Ų54.320%0.19526%0.26CS..Hα-helixtrans-68.9-37.8177.5-15.831.3000111.5S178 M184 L300S178-P180 VanDerWaalsContact C-N 3.33Å; S178-P180 VanDerWaalsContact O-N 3.17Å; P180-M184 WeakPolarHBondContact O-CG 3.24Å; P180-M184 PolarHBondContact O-N 2.72Å; P180-M184 VanDerWaalsContact O-N 3.11Å; P180-L300 HydrophobicContact CB-CD1 3.95Å
181L95.6Very high94.2Very high0 Ų050.1 Ų50.10%024%0.24CC..Hα-helixtrans-65.8-44.1173.9-69.1178.6000110.7I149 S152 T153 S178 M183 M184 W185 L300 Y304I149-L181 HydrophobicContact CG1-CD2 4.2Å; I149-L181 HydrophobicContact CG2-CB 4.08Å; I149-L181 HydrophobicContact CG2-CD2 4.2Å; S152-L181 WeakPolarHBondContact OG-CD1 3.29Å; S152-L181 WeakPolarHBondContact OG-CD2 3.39Å; T153-L181 HydrophobicContact CG2-CB 4.39Å; T153-L181 HydrophobicContact CG2-CD1 3.95Å; S178-L181 CarbonylContact O-C 3.59Å; S178-L181 WeakPolarHBondContact O-CA 3.36Å; S178-L181 WeakPolarHBondContact O-CB 3.36Å; S178-L181 PolarHBondContact O-N 3.4Å; L181-M183 VanDerWaalsContact C-N 3.31Å; L181-M183 PolarHBondContact O-N 3.25Å; L181-M184 HydrophobicContact CD2-CE 3.99Å; L181-M184 PolarHBondContact O-N 3.07Å; L181-W185 WeakPolarHBondContact O-CB 3.42Å; L181-W185 PolarHBondContact O-N 2.93Å; L181-L300 HydrophobicContact CD2-CB 3.96Å; L181-L300 HydrophobicContact CD2-CD1 3.62Å; L181-L300 HydrophobicContact CD2-CG 4.45Å; L181-L300 HydrophobicContact CG-CD1 4.03Å; L181-Y304 HydrophobicContact CD1-CD2 3.57Å; L181-Y304 HydrophobicContact CD1-CE2 3.19Å; L181-Y304 HydrophobicContact CD1-CG 4.45Å; L181-Y304 HydrophobicContact CG-CD2 4.45Å; L181-Y304 HydrophobicContact CG-CE2 3.79Å
182A95.8Very high94.2Very high9 Ų942.9 Ų42.97%0.07421%0.206CC..Hα-helixtrans-59.7-40.917800000112.1L175 S178 W179 W185 F186 F242L175-A182 HydrophobicContact CD1-CB 4.23Å; L175-A182 HydrophobicContact CG-CB 4.3Å; S178-A182 PolarHBondContact O-N 3.49Å; W179-A182 PolarHBondContact O-N 3.26Å; A182-W185 WeakPolarHBondContact O-CB 3.32Å; A182-F186 WeakPolarHBondContact O-CB 3.27Å; A182-F186 PolarHBondContact O-N 3.39Å; A182-F242 HydrophobicContact CB-CD1 3.54Å; A182-F242 HydrophobicContact CB-CD2 4.34Å; A182-F242 HydrophobicContact CB-CE1 3.6Å; A182-F242 HydrophobicContact CB-CE2 4.42Å; A182-F242 HydrophobicContact CB-CG 3.92Å; A182-F242 HydrophobicContact CB-CZ 4.05Å
183M95.1Very high94Very high110 Ų11037.7 Ų37.754%0.54218%0.18SC..Hα-helixtrans-67.7-46.2177.3-171.565.6-17000111.9W179 L181 W185 F186 I187W179-M183 PolarHBondContact O-N 3.04Å; L181-M183 VanDerWaalsContact C-N 3.31Å; L181-M183 PolarHBondContact O-N 3.25Å; M183-W185 VanDerWaalsContact C-N 3.32Å; M183-W185 PolarHBondContact O-N 3.2Å; M183-F186 PolarHBondContact O-N 3.25Å; M183-I187 HydrophobicContact CE-CD1 4.04Å; M183-I187 HydrophobicContact CE-CG1 4.4Å; M183-I187 HydrophobicContact CG-CD1 4.46Å; M183-I187 WeakPolarHBondContact O-CG1 3.46Å; M183-I187 PolarHBondContact O-N 3.36Å; M183-I187 VanDerWaalsContact O-N 3.13Å
184M96.1Very high93.6Very high8 Ų832.6 Ų32.64%0.03916%0.161CC..Hα-helixtrans-64.2-39.6176.6-70.8-170.5-67.900111.8I149 P180 L181 I187 S188 F293 L296 T297 L300I149-M184 HydrophobicContact CD1-CB 3.81Å; P180-M184 WeakPolarHBondContact O-CG 3.24Å; P180-M184 PolarHBondContact O-N 2.72Å; P180-M184 VanDerWaalsContact O-N 3.11Å; L181-M184 HydrophobicContact CD2-CE 3.99Å; L181-M184 PolarHBondContact O-N 3.07Å; M184-I187 PolarHBondContact O-N 2.92Å; M184-S188 PolarHBondContact O-N 2.93Å; M184-S188 PolarHBondContact O-OG 3.38Å; M184-F293 HydrophobicContact CG-CD1 4.14Å; M184-F293 HydrophobicContact CG-CE1 4.12Å; M184-F293 HydrophobicContact CG-CG 4.49Å; M184-F293 HydrophobicContact CG-CZ 4.45Å; M184-F293 HydrophobicContact SD-CB 4.46Å; M184-F293 HydrophobicContact SD-CD1 4.09Å; M184-F293 HydrophobicContact SD-CG 4.32Å; M184-L296 HydrophobicContact CE-CD2 4.12Å; M184-L296 HydrophobicContact CE-CG 4.11Å; M184-L296 HydrophobicContact SD-CB 4.21Å; M184-L296 HydrophobicContact SD-CD2 3.65Å; M184-L296 HydrophobicContact SD-CG 4.02Å; M184-T297 HydrophobicContact CE-CG2 3.6Å; M184-T297 HydrophobicContact SD-CG2 3.74Å; M184-L300 HydrophobicContact CE-CD1 3.4Å; M184-L300 VanDerWaalsContact CE-CD1 3.4Å
185W96.1Very high93.1Very high3 Ų333 Ų331%0.01116%0.162CC..Hα-helixtrans-58.2-46.1174.6173.1-94.6000112.2L146 I149 L150 L181 A182 M183 I187 S188 T189 L237 I241 F242L146-W185 HydrophobicContact CB-CZ3 4.48Å; L146-W185 HydrophobicContact CD1-CE3 3.78Å; L146-W185 HydrophobicContact CD1-CH2 3.34Å; L146-W185 HydrophobicContact CD1-CZ2 4.1Å; L146-W185 HydrophobicContact CD1-CZ3 3.15Å; L146-W185 HydrophobicContact CD2-CH2 4.4Å; L146-W185 HydrophobicContact CG-CE3 4.38Å; L146-W185 HydrophobicContact CG-CH2 3.77Å; L146-W185 HydrophobicContact CG-CZ3 3.46Å; L146-W185 VanDerWaalsContact CG-CZ3 3.46Å; I149-W185 HydrophobicContact CB-CE3 4.29Å; I149-W185 HydrophobicContact CG2-CB 3.96Å; I149-W185 HydrophobicContact CG2-CE3 3.88Å; L150-W185 HydrophobicContact CD1-CH2 3.8Å; L150-W185 HydrophobicContact CD1-CZ3 3.64Å; L150-W185 HydrophobicContact CD2-CE3 4.46Å; L150-W185 HydrophobicContact CD2-CH2 3.92Å; L150-W185 HydrophobicContact CD2-CZ3 3.75Å; L150-W185 HydrophobicContact CG-CE3 4.23Å; L150-W185 HydrophobicContact CG-CH2 3.89Å; L150-W185 HydrophobicContact CG-CZ3 3.38Å; L181-W185 WeakPolarHBondContact O-CB 3.42Å; L181-W185 PolarHBondContact O-N 2.93Å; A182-W185 WeakPolarHBondContact O-CB 3.32Å; M183-W185 VanDerWaalsContact C-N 3.32Å; M183-W185 PolarHBondContact O-N 3.2Å; W185-I187 VanDerWaalsContact C-N 3.31Å; W185-I187 PolarHBondContact O-N 3.44Å; W185-S188 WeakPolarHBondContact CA-OG 3.48Å; W185-S188 PolarHBondContact O-N 2.94Å; W185-S188 PolarHBondContact O-OG 2.99Å; W185-T189 HydrophobicContact CD2-CG2 4.22Å; W185-T189 VanDerWaalsContact CE2-CG2 3.49Å; W185-T189 HydrophobicContact CH2-CG2 4.23Å; W185-T189 HydrophobicContact CZ2-CG2 3.42Å; W185-T189 VanDerWaalsContact CZ2-CG2 3.42Å; W185-T189 WeakPolarHBondContact O-CG2 3.44Å; W185-T189 PolarHBondContact O-N 3.47Å; W185-T189 PolarHBondContact O-OG1 3.4Å; W185-L237 HydrophobicContact CH2-CD2 3.52Å; W185-L237 HydrophobicContact CZ2-CD2 3.06Å; W185-I241 HydrophobicContact CH2-CD1 4.37Å; W185-I241 HydrophobicContact CZ2-CD1 4.13Å; W185-F242 HydrophobicContact CB-CE2 3.78Å; W185-F242 HydrophobicContact CB-CZ 4.01Å; W185-F242 AromaticContact CD1-CD2 3.91Å; W185-F242 AromaticContact CD1-CE2 3.39Å; W185-F242 HydrophobicContact CD2-CE2 4Å; W185-F242 HydrophobicContact CG-CD2 4.34Å; W185-F242 AromaticContact CG-CE2 3.4Å; W185-F242 HydrophobicContact CG-CE2 3.4Å; W185-F242 VanDerWaalsContact CG-CE2 3.4Å; W185-F242 HydrophobicContact CG-CZ 4.07Å; W185-F242 AromaticContact NE1-CE2 3.96Å
186F95.3Very high92.5Very high33 Ų3330.8 Ų30.815%0.14515%0.151CC..Hα-helixtrans-65.7-37179.8-174.7-98.1000111.5A182 M183 T189 L190 L266 L269 F270 I273A182-F186 WeakPolarHBondContact O-CB 3.27Å; A182-F186 PolarHBondContact O-N 3.39Å; M183-F186 PolarHBondContact O-N 3.25Å; F186-T189 WeakPolarHBondContact CA-OG1 3.43Å; F186-T189 PolarHBondContact O-OG1 3.49Å; F186-L190 HydrophobicContact CD1-CD1 4.04Å; F186-L190 HydrophobicContact CE1-CD1 3.79Å; F186-L190 WeakPolarHBondContact O-CG 3.07Å; F186-L190 PolarHBondContact O-N 3.41Å; F186-L190 VanDerWaalsContact O-N 3.16Å; F186-L266 HydrophobicContact CE2-CD2 4.36Å; F186-L269 HydrophobicContact CZ-CB 4.15Å; F186-F270 AromaticContact CD2-CE1 3.95Å; F186-F270 HydrophobicContact CD2-CE1 3.95Å; F186-F270 HydrophobicContact CE1-CD1 4.49Å; F186-F270 HydrophobicContact CE1-CE1 4.38Å; F186-F270 AromaticContact CE2-CD1 3.63Å; F186-F270 HydrophobicContact CE2-CD1 3.63Å; F186-F270 AromaticContact CE2-CE1 3.34Å; F186-F270 HydrophobicContact CE2-CE1 3.34Å; F186-F270 AromaticContact CZ-CD1 3.53Å; F186-F270 HydrophobicContact CZ-CD1 3.53Å; F186-F270 AromaticContact CZ-CE1 3.59Å; F186-F270 HydrophobicContact CZ-CE1 3.59Å; F186-I273 HydrophobicContact CE1-CD1 3.4Å; F186-I273 VanDerWaalsContact CE1-CD1 3.4Å; F186-I273 HydrophobicContact CZ-CD1 3.94Å
187I94.2Very high91.9Very high35 Ų3526.2 Ų26.218%0.17913%0.128CC..Hα-helixtrans-69.6-40.3173.6-61.9169.5000111.3M183 M184 W185 L190 A191 F198 L288 F293M183-I187 HydrophobicContact CE-CD1 4.04Å; M183-I187 HydrophobicContact CE-CG1 4.4Å; M183-I187 HydrophobicContact CG-CD1 4.46Å; M183-I187 WeakPolarHBondContact O-CG1 3.46Å; M183-I187 PolarHBondContact O-N 3.36Å; M183-I187 VanDerWaalsContact O-N 3.13Å; M184-I187 PolarHBondContact O-N 2.92Å; W185-I187 VanDerWaalsContact C-N 3.31Å; W185-I187 PolarHBondContact O-N 3.44Å; I187-L190 WeakPolarHBondContact O-CB 3.42Å; I187-L190 PolarHBondContact O-N 3.16Å; I187-A191 PolarHBondContact O-N 3.05Å; I187-F198 HydrophobicContact CG2-CE2 3.68Å; I187-F198 HydrophobicContact CG2-CZ 3.66Å; I187-L288 HydrophobicContact CG2-CD2 4.38Å; I187-F293 HydrophobicContact CB-CE2 3.94Å; I187-F293 HydrophobicContact CB-CZ 3.89Å; I187-F293 HydrophobicContact CD1-CZ 3.76Å; I187-F293 HydrophobicContact CG1-CZ 4.44Å; I187-F293 HydrophobicContact CG2-CE2 3.68Å; I187-F293 HydrophobicContact CG2-CZ 3.68Å
188S93.8Very high91.7Very high0 Ų023.9 Ų23.90%011%0.112CC..Hα-helixtrans-66.4-37.8178.261.70000112.2M184 W185 A191 E192M184-S188 PolarHBondContact O-N 2.93Å; M184-S188 PolarHBondContact O-OG 3.38Å; W185-S188 WeakPolarHBondContact CA-OG 3.48Å; W185-S188 PolarHBondContact O-N 2.94Å; W185-S188 PolarHBondContact O-OG 2.99Å; S188-A191 PolarHBondContact O-N 2.96Å; S188-E192 WeakPolarHBondContact O-CB 3.29Å; S188-E192 PolarHBondContact O-N 2.89Å
189T94.3Very high91.1Very high0 Ų024.5 Ų24.50%012%0.115CC..Hα-helixtrans-69.6-34.9176.149.80000113.2L146 W185 F186 A191 T193 M234 T238L146-T189 HydrophobicContact CD1-CG2 4.25Å; W185-T189 HydrophobicContact CD2-CG2 4.22Å; W185-T189 VanDerWaalsContact CE2-CG2 3.49Å; W185-T189 HydrophobicContact CH2-CG2 4.23Å; W185-T189 HydrophobicContact CZ2-CG2 3.42Å; W185-T189 VanDerWaalsContact CZ2-CG2 3.42Å; W185-T189 WeakPolarHBondContact O-CG2 3.44Å; W185-T189 PolarHBondContact O-N 3.47Å; W185-T189 PolarHBondContact O-OG1 3.4Å; F186-T189 WeakPolarHBondContact CA-OG1 3.43Å; F186-T189 PolarHBondContact O-OG1 3.49Å; T189-A191 PolarHBondContact O-N 3.14Å; T189-T193 PolarHBondContact O-N 2.87Å; T189-T193 VanDerWaalsContact O-N 3.15Å; T189-T193 PolarHBondContact O-OG1 3.44Å; T189-M234 HydrophobicContact CG2-CB 4.41Å; T189-M234 HydrophobicContact CG2-SD 4.46Å; T189-T238 HydrophobicContact CG2-CG2 4.09Å
190L92.3Very high90.2Very high6 Ų616.5 Ų16.53%0.0319%0.085CC..Hα-helixtrans-57.9-39169.1-83164.1000111.6F186 I187 T193 R195 F198 F270 I273F186-L190 HydrophobicContact CD1-CD1 4.04Å; F186-L190 HydrophobicContact CE1-CD1 3.79Å; F186-L190 WeakPolarHBondContact O-CG 3.07Å; F186-L190 PolarHBondContact O-N 3.41Å; F186-L190 VanDerWaalsContact O-N 3.16Å; I187-L190 WeakPolarHBondContact O-CB 3.42Å; I187-L190 PolarHBondContact O-N 3.16Å; L190-T193 PolarHBondContact O-OG1 3.15Å; L190-R195 PolarHBondContact O-N 3.27Å; L190-R195 VanDerWaalsContact O-N 3.16Å; L190-F198 HydrophobicContact CB-CD2 4.17Å; L190-F198 HydrophobicContact CB-CE2 4.32Å; L190-F270 HydrophobicContact CD2-CB 4.45Å; L190-F270 HydrophobicContact CD2-CD1 3.75Å; L190-F270 HydrophobicContact CD2-CD2 3.72Å; L190-F270 HydrophobicContact CD2-CE1 3.78Å; L190-F270 HydrophobicContact CD2-CE2 3.79Å; L190-F270 HydrophobicContact CD2-CG 3.7Å; L190-F270 HydrophobicContact CD2-CZ 3.81Å; L190-F270 HydrophobicContact CG-CD1 4.2Å; L190-F270 HydrophobicContact CG-CE1 3.77Å; L190-F270 HydrophobicContact CG-CE2 4.23Å; L190-F270 HydrophobicContact CG-CZ 3.79Å; L190-I273 HydrophobicContact CD1-CD1 3.89Å; L190-I273 HydrophobicContact CD1-CG2 4.18Å; L190-I273 HydrophobicContact CD2-CG2 4.5Å
191A91.1Very high88.9Confident0 Ų015.1 Ų15.10%08%0.076CC..Hα-helixtrans-83.4-30.6-177.100000114.2Q138 Y142 I187 S188 T189 T193 N194 F198Q138-A191 PolarHBondContact NE2-O 2.8Å; Y142-A191 HydrophobicContact CD1-CB 3.69Å; Y142-A191 HydrophobicContact CD2-CB 3.57Å; Y142-A191 HydrophobicContact CE1-CB 3.26Å; Y142-A191 HydrophobicContact CE2-CB 3.15Å; Y142-A191 HydrophobicContact CG-CB 3.84Å; Y142-A191 VanDerWaalsContact OH-CB 3.31Å; Y142-A191 WeakPolarHBondContact OH-CB 3.43Å; I187-A191 PolarHBondContact O-N 3.05Å; S188-A191 PolarHBondContact O-N 2.96Å; T189-A191 PolarHBondContact O-N 3.14Å; A191-T193 VanDerWaalsContact C-N 3.29Å; A191-N194 PolarHBondContact O-N 3.01Å; A191-F198 HydrophobicContact CB-CB 3.85Å; A191-F198 HydrophobicContact CB-CD2 3.58Å; A191-F198 HydrophobicContact CB-CE2 4.26Å; A191-F198 HydrophobicContact CB-CG 3.76Å
192E90.9Very high87.8Confident25 Ų2516.3 Ų16.312%0.1178%0.082CC..Hα-helixtrans-64.3-36.3171.3-174.1174.7-176.300111.6S109 L146 S188 N194 M234S109-E192 WeakPolarHBondContact CB-OE1 3.16Å; S109-E192 PolarHBondContact OG-OE1 3.13Å; L146-E192 WeakPolarHBondContact CD2-OE2 3.26Å; S188-E192 WeakPolarHBondContact O-CB 3.29Å; S188-E192 PolarHBondContact O-N 2.89Å; E192-N194 PolarHBondContact O-N 3.38Å; E192-M234 HydrophobicContact CG-CE 3.98Å; E192-M234 WeakPolarHBondContact OE1-CE 3.47Å; E192-M234 VanDerWaalsContact OE2-CE 3.27Å; E192-M234 WeakPolarHBondContact OE2-CE 3.34Å
193T89.3Confident86.6Confident7 Ų716 Ų164%0.0438%0.079CC..THydrogen-bonded Turntrans-80.47.9175.4540000113.7T189 L190 A191 R195 N230 I231 M234T189-T193 PolarHBondContact O-N 2.87Å; T189-T193 VanDerWaalsContact O-N 3.15Å; T189-T193 PolarHBondContact O-OG1 3.44Å; L190-T193 PolarHBondContact O-OG1 3.15Å; A191-T193 VanDerWaalsContact C-N 3.29Å; T193-R195 PolarHBondContact O-N 3.01Å; T193-R195 VanDerWaalsContact O-N 3.1Å; T193-N230 HydrophobicContact CG2-CB 4.44Å; T193-I231 HydrophobicContact CG2-CG1 4.19Å; T193-M234 HydrophobicContact CG2-CB 4.21Å; T193-M234 HydrophobicContact CG2-CG 3.76Å
194N86.1Confident85Confident16 Ų1616.9 Ų16.99%0.0868%0.082CC..THydrogen-bonded Turntrans51.130.6-178.8-62.2-44.5000114Q138 A191 E192 D199 A201Q138-N194 PolarHBondContact NE2-OD1 3.44Å; A191-N194 PolarHBondContact O-N 3.01Å; E192-N194 PolarHBondContact O-N 3.38Å; N194-D199 VanDerWaalsContact O-CA 3.27Å; N194-D199 WeakPolarHBondContact O-CA 3.38Å; N194-D199 WeakPolarHBondContact O-CB 3.35Å; N194-A201 HydrophobicContact CB-CB 4.4Å
195R84Confident83.1Confident20 Ų2021.2 Ų21.28%0.07511%0.113CC..  trans-90.4148.9-179-72.4-51.4-134.8-163.64.9112.5E24 L190 T193 F198 D199 E227 Y228 I231E24-R195 IonicContact OE1-NH2 2.78Å; E24-R195 IonicContact OE2-CZ 3.92Å; E24-R195 IonicContact OE2-NH2 3.15Å; E24-R195 PolarHBondContact OE2-NH2 2.65Å; L190-R195 PolarHBondContact O-N 3.27Å; L190-R195 VanDerWaalsContact O-N 3.16Å; T193-R195 PolarHBondContact O-N 3.01Å; T193-R195 VanDerWaalsContact O-N 3.1Å; R195-F198 CarbonylContact O-C 3.53Å; R195-F198 WeakPolarHBondContact O-CA 3.41Å; R195-F198 PolarHBondContact O-N 3.47Å; R195-D199 PolarHBondContact O-N 3.03Å; R195-E227 WeakPolarHBondContact CD-OE1 3.19Å; R195-E227 IonicContact CZ-OE1 2.72Å; R195-E227 IonicContact NE-OE1 3.85Å; R195-E227 IonicContact NH1-OE1 2.83Å; R195-E227 PolarHBondContact NH1-OE1 3.49Å; R195-E227 IonicContact NH1-OE2 3.54Å; R195-Y228 PolarHBondContact NH2-OH 2.89Å; R195-Y228 VanDerWaalsContact NH2-OH 3.13Å; R195-I231 HydrophobicContact CG-CD1 3.86Å; R195-I231 HydrophobicContact CG-CG1 4.19Å
196T80.9Confident81.2Confident14 Ų1425.8 Ų25.89%0.08614%0.135CC..THydrogen-bonded Turntrans-52.9128.6172.749.30000109.9D199 R274 R279T196-D199 HydrophobicContact CG2-CB 3.68Å; T196-R274 WeakPolarHBondContact OG1-CA 3.42Å; T196-R274 WeakPolarHBondContact OG1-CB 3.39Å; T196-R274 WeakPolarHBondContact OG1-CD 3.49Å; T196-R274 WeakPolarHBondContact OG1-CG 3.46Å; T196-R279 HydrophobicContact CG2-CG 4.24Å
197P81.6Confident79.7Confident7 Ų724.6 Ų24.65%0.04513%0.13CC..THydrogen-bonded Turncis-890.720.936.8-40000116.2P278 R279 F280P197-P278 WeakPolarHBondContact CB-O 3.47Å; P197-R279 WeakPolarHBondContact O-CA 3.47Å; P197-F280 HydrophobicContact CB-CD2 3.65Å; P197-F280 HydrophobicContact CB-CE2 3.9Å; P197-F280 HydrophobicContact CG-CD2 3.84Å; P197-F280 HydrophobicContact CG-CE2 3.77Å; P197-F280 PolarHBondContact O-N 3.32Å
198F87.1Confident78.8Confident6 Ų628.3 Ų28.33%0.02615%0.154CC..SBendtrans-102.324.6-177.9-50.6-63.5000113.8Q138 I187 L190 A191 R195 L200 F280 L285 L288Q138-F198 PolarHBondContact NE2-O 2.77Å; Q138-F198 PolarHBondContact OE1-O 2.91Å; I187-F198 HydrophobicContact CG2-CE2 3.68Å; I187-F198 HydrophobicContact CG2-CZ 3.66Å; L190-F198 HydrophobicContact CB-CD2 4.17Å; L190-F198 HydrophobicContact CB-CE2 4.32Å; A191-F198 HydrophobicContact CB-CB 3.85Å; A191-F198 HydrophobicContact CB-CD2 3.58Å; A191-F198 HydrophobicContact CB-CE2 4.26Å; A191-F198 HydrophobicContact CB-CG 3.76Å; R195-F198 CarbonylContact O-C 3.53Å; R195-F198 WeakPolarHBondContact O-CA 3.41Å; R195-F198 PolarHBondContact O-N 3.47Å; F198-L200 VanDerWaalsContact C-N 3.29Å; F198-L200 PolarHBondContact O-N 2.85Å; F198-F280 HydrophobicContact CD1-CB 4.41Å; F198-F280 AromaticContact CD1-CD2 3.76Å; F198-F280 HydrophobicContact CD1-CD2 3.76Å; F198-F280 HydrophobicContact CD1-CE2 4.5Å; F198-F280 HydrophobicContact CD1-CG 4.35Å; F198-F280 AromaticContact CE1-CD2 3.38Å; F198-F280 HydrophobicContact CE1-CD2 3.38Å; F198-F280 AromaticContact CE1-CE2 3.72Å; F198-F280 HydrophobicContact CE1-CE2 3.72Å; F198-F280 HydrophobicContact CE1-CG 4.09Å; F198-F280 HydrophobicContact CZ-CD2 4.14Å; F198-F280 HydrophobicContact CZ-CE2 4.07Å; F198-L285 HydrophobicContact CB-CD1 3.95Å; F198-L285 HydrophobicContact CD1-CD1 3.64Å; F198-L285 HydrophobicContact CD1-CG 4.23Å; F198-L285 HydrophobicContact CG-CD1 4.16Å; F198-L288 HydrophobicContact CE1-CD2 4.04Å; F198-L288 HydrophobicContact CZ-CD2 4.03Å
199D83.2Confident77.7Confident13 Ų1329.4 Ų29.47%0.0716%0.162CC..  trans-78.677.2174.4173.722.3000110.5N194 R195 T196 E202 R279N194-D199 VanDerWaalsContact O-CA 3.27Å; N194-D199 WeakPolarHBondContact O-CA 3.38Å; N194-D199 WeakPolarHBondContact O-CB 3.35Å; R195-D199 PolarHBondContact O-N 3.03Å; T196-D199 HydrophobicContact CG2-CB 3.68Å; D199-E202 WeakPolarHBondContact OD1-CB 3.44Å; D199-E202 PolarHBondContact OD1-N 3.41Å; D199-R279 IonicContact OD2-CZ 3.41Å; D199-R279 IonicContact OD2-NE 3.53Å; D199-R279 IonicContact OD2-NH2 2.75Å; D199-R279 PolarHBondContact OD2-NH2 3.39Å
200L75.5Confident77.2Confident4 Ų429.4 Ų29.42%0.02116%0.162CC..  trans-98.1-22.4177.2-56.5-177.7000112.7F198 F280 Y282 L285F198-L200 VanDerWaalsContact C-N 3.29Å; F198-L200 PolarHBondContact O-N 2.85Å; L200-F280 WeakPolarHBondContact CD2-O 3.17Å; L200-Y282 HydrophobicContact CD1-CD2 3.78Å; L200-Y282 HydrophobicContact CD1-CG 4.33Å; L200-L285 HydrophobicContact CD1-CB 4.28Å; L200-L285 HydrophobicContact CD1-CD1 3.56Å; L200-L285 HydrophobicContact CD1-CG 4.39Å; L200-L285 HydrophobicContact CG-CD1 4.29Å
201A69.6Low76.6Confident1 Ų130.1 Ų30.11%0.00816%0.164CC..SBendtrans-73.9-35.7-177.800000111.8A135 N194 G210 F211A135-A201 HydrophobicContact CB-CB 3.58Å; N194-A201 HydrophobicContact CB-CB 4.4Å; A201-G210 VanDerWaalsContact O-CA 3.31Å; A201-G210 WeakPolarHBondContact O-CA 3.31Å; A201-F211 HydrophobicContact CB-CD1 4.06Å; A201-F211 HydrophobicContact CB-CE1 4.03Å
202E71.8Confident76.3Confident26 Ų2630.2 Ų30.212%0.12117%0.165CC..SBendtrans-107.5-0.9-178.9-170.5165.3-140.800112.6D199 E204 S209 N212 F224D199-E202 WeakPolarHBondContact OD1-CB 3.44Å; D199-E202 PolarHBondContact OD1-N 3.41Å; E202-E204 PolarHBondContact O-N 2.85Å; E202-S209 WeakPolarHBondContact O-CA 3.49Å; E202-N212 PolarHBondContact OE1-ND2 3.04Å; E202-F224 WeakPolarHBondContact OE1-CZ 3.33Å
203G69.9Low75.9Confident2 Ų231.9 Ų31.92%0.02117%0.174CC..  trans-35.793.1-170.300000115.3S205 E206 L207G203-S205 PolarHBondContact O-N 3.26Å; G203-S205 VanDerWaalsContact O-N 3.08Å; G203-E206 PolarHBondContact O-N 2.98Å; G203-L207 PolarHBondContact O-N 2.82Å
204E61.5Low75.8Confident129 Ų12933.5 Ų33.560%0.60318%0.181SC*.Hα-helixtrans-56.7-34.2-170.1-62.5177.8167.200113.2E202 E206 V208E202-E204 PolarHBondContact O-N 2.85Å; E204-E206 VanDerWaalsContact C-N 3.34Å; E204-V208 WeakPolarHBondContact CA-O 3.5Å; E204-V208 WeakPolarHBondContact O-CA 3.22Å; E204-V208 PolarHBondContact O-N 3.42Å
205S57.1Low75.8Confident98 Ų9833.1 Ų33.169%0.68518%0.178SC*.Hα-helixtrans-73.3-23.9-179.951.90000113.8G203G203-S205 PolarHBondContact O-N 3.26Å; G203-S205 VanDerWaalsContact O-N 3.08Å
206E55Low75.9Confident100 Ų10032.8 Ų32.847%0.46718%0.18SC..Hα-helixtrans-109.8-36.3-173.4-63.5179.9-179.400112.2R134 G203 E204R134-E206 IonicContact CZ-OE2 3.23Å; R134-E206 VanDerWaalsContact CZ-OE2 3.23Å; R134-E206 IonicContact NH1-OE2 2.68Å; R134-E206 PolarHBondContact NH1-OE2 3.22Å; R134-E206 IonicContact NH2-OE2 3.55Å; R134-E206 PolarHBondContact NH2-OE2 3.05Å; G203-E206 PolarHBondContact O-N 2.98Å; E204-E206 VanDerWaalsContact C-N 3.34Å
207L64.8Low76.3Confident7 Ų732.3 Ų32.34%0.03718%0.177CC..Hα-helixtrans-129.18.8-168.9-60.5175.9000113.3Y127 I130 G203 S209 G210 I213Y127-L207 HydrophobicContact CD1-CD2 4.12Å; I130-L207 HydrophobicContact CG2-CD2 4.09Å; G203-L207 PolarHBondContact O-N 2.82Å; L207-S209 PolarHBondContact O-N 2.95Å; L207-G210 PolarHBondContact O-N 3.15Å; L207-I213 WeakPolarHBondContact O-CD1 3.37Å
208V75.3Confident76.7Confident113 Ų11332.6 Ų32.669%0.68518%0.182SC*.THydrogen-bonded Turntrans64.5-57.2-173.9-173.70000113.1E204E204-V208 WeakPolarHBondContact CA-O 3.5Å; E204-V208 WeakPolarHBondContact O-CA 3.22Å; E204-V208 PolarHBondContact O-N 3.42Å
209S70Confident76.8Confident24 Ų2434 Ų3417%0.16819%0.192CC..THydrogen-bonded Turntrans-1547.8166.875.50000113.8E202 L207 F211 N212 I213E202-S209 WeakPolarHBondContact O-CA 3.49Å; L207-S209 PolarHBondContact O-N 2.95Å; S209-F211 PolarHBondContact O-N 3.37Å; S209-N212 WeakPolarHBondContact CB-OD1 3.48Å; S209-N212 PolarHBondContact O-OD1 3.19Å; S209-N212 PolarHBondContact OG-OD1 3Å; S209-I213 WeakPolarHBondContact OG-CA 3.45Å; S209-I213 VanDerWaalsContact OG-CG1 3.24Å; S209-I213 WeakPolarHBondContact OG-CG1 3.31Å; S209-I213 PolarHBondContact OG-N 2.88Å
210G84.2Confident77.1Confident0 Ų036 Ų360%020%0.2CC..G310 helixtrans67.9-124.3173.300000115.9A128 A201 L207 N212 I213A128-G210 VanDerWaalsContact CA-O 3.28Å; A128-G210 WeakPolarHBondContact CA-O 3.15Å; A201-G210 VanDerWaalsContact O-CA 3.31Å; A201-G210 WeakPolarHBondContact O-CA 3.31Å; L207-G210 PolarHBondContact O-N 3.15Å; G210-N212 PolarHBondContact O-N 2.86Å; G210-I213 WeakPolarHBondContact O-CD1 2.97Å; G210-I213 WeakPolarHBondContact O-CG1 3.37Å; G210-I213 PolarHBondContact O-N 3.36Å
211F79.8Confident77.9Confident20 Ų2036 Ų369%0.08820%0.201CC..G310 helixtrans-69.3-17.8-170.969.4-92.6000114.3I116 S119 A132 A201 S209 F223I116-F211 HydrophobicContact CG1-CE2 4.47Å; I116-F211 HydrophobicContact CG1-CZ 4.43Å; I116-F211 HydrophobicContact CG2-CB 4.06Å; I116-F211 HydrophobicContact CG2-CD1 3.8Å; I116-F211 HydrophobicContact CG2-CD2 4.11Å; I116-F211 HydrophobicContact CG2-CE1 4.24Å; I116-F211 HydrophobicContact CG2-CG 3.72Å; S119-F211 VanDerWaalsContact OG-CD2 3.27Å; S119-F211 WeakPolarHBondContact OG-CD2 3.43Å; A132-F211 HydrophobicContact CB-CB 4.2Å; A201-F211 HydrophobicContact CB-CD1 4.06Å; A201-F211 HydrophobicContact CB-CE1 4.03Å; S209-F211 PolarHBondContact O-N 3.37Å; F211-F223 HydrophobicContact CE2-CD1 4.02Å; F211-F223 HydrophobicContact CE2-CE1 4.24Å; F211-F223 HydrophobicContact CE2-CG 4.25Å
212N84.9Confident79Confident3 Ų337.8 Ų37.82%0.01621%0.21CC..G310 helixtrans-102.56.5-175.670.512.3000113.6E202 S209 G210 E214 Y215E202-N212 PolarHBondContact OE1-ND2 3.04Å; S209-N212 WeakPolarHBondContact CB-OD1 3.48Å; S209-N212 PolarHBondContact O-OD1 3.19Å; S209-N212 PolarHBondContact OG-OD1 3Å; G210-N212 PolarHBondContact O-N 2.86Å; N212-E214 PolarHBondContact O-N 2.86Å; N212-E214 VanDerWaalsContact O-N 3.11Å; N212-Y215 WeakPolarHBondContact O-CB 3.46Å; N212-Y215 PolarHBondContact O-N 3.21Å
213I83.5Confident79.9Confident59 Ų5937 Ų3730%0.30321%0.206SC..THydrogen-bonded Turntrans-50.6-41.4-173.1-66.8158.1000113.2L207 S209 G210L207-I213 WeakPolarHBondContact O-CD1 3.37Å; S209-I213 WeakPolarHBondContact OG-CA 3.45Å; S209-I213 VanDerWaalsContact OG-CG1 3.24Å; S209-I213 WeakPolarHBondContact OG-CG1 3.31Å; S209-I213 PolarHBondContact OG-N 2.88Å; G210-I213 WeakPolarHBondContact O-CD1 2.97Å; G210-I213 WeakPolarHBondContact O-CG1 3.37Å; G210-I213 PolarHBondContact O-N 3.36Å
214E85.9Confident80.9Confident41 Ų4138.7 Ų38.719%0.19221%0.213CC..THydrogen-bonded Turntrans-91.3-2.8-175.6-64.1-171.6-16600113.6P63 Y71 S123 S125 N212P63-E214 WeakPolarHBondContact CB-OE2 3.41Å; P63-E214 HydrophobicContact CG-CB 3.87Å; P63-E214 HydrophobicContact CG-CG 4.42Å; P63-E214 WeakPolarHBondContact CG-OE2 3.36Å; Y71-E214 HydrophobicContact CE2-CB 4.48Å; Y71-E214 PolarHBondContact OH-O 2.93Å; S123-E214 VanDerWaalsContact CA-OE2 3.31Å; S123-E214 WeakPolarHBondContact CA-OE2 3.44Å; S123-E214 WeakPolarHBondContact CB-OE2 3.42Å; S123-E214 VanDerWaalsContact O-CD 3.28Å; S125-E214 WeakPolarHBondContact CB-OE1 3.26Å; S125-E214 PolarHBondContact OG-OE1 3.3Å; N212-E214 PolarHBondContact O-N 2.86Å; N212-E214 VanDerWaalsContact O-N 3.11Å
215Y87.1Confident82.4Confident8 Ų834.1 Ų34.13%0.03119%0.192CC..  trans-84.7122.8177.7-69.6-93.4000110.1Y71 P75 S119 N212 P219 F223Y71-Y215 HydrophobicContact CD1-CE1 4.03Å; Y71-Y215 HydrophobicContact CD2-CD1 4.38Å; Y71-Y215 AromaticContact CD2-CE1 3.62Å; Y71-Y215 HydrophobicContact CD2-CE1 3.62Å; Y71-Y215 HydrophobicContact CD2-CE2 4.05Å; Y71-Y215 AromaticContact CD2-CZ 3.42Å; Y71-Y215 VanDerWaalsContact CD2-CZ 3.42Å; Y71-Y215 WeakPolarHBondContact CD2-OH 3.33Å; Y71-Y215 HydrophobicContact CE1-CD1 4.03Å; Y71-Y215 AromaticContact CE1-CE1 3.89Å; Y71-Y215 HydrophobicContact CE1-CE1 3.89Å; Y71-Y215 AromaticContact CE2-CD1 3.77Å; Y71-Y215 HydrophobicContact CE2-CD1 3.77Å; Y71-Y215 HydrophobicContact CE2-CD2 4.06Å; Y71-Y215 AromaticContact CE2-CE1 3.48Å; Y71-Y215 HydrophobicContact CE2-CE1 3.48Å; Y71-Y215 VanDerWaalsContact CE2-CE1 3.48Å; Y71-Y215 AromaticContact CE2-CE2 3.79Å; Y71-Y215 HydrophobicContact CE2-CE2 3.79Å; Y71-Y215 HydrophobicContact CE2-CG 4.07Å; Y71-Y215 AromaticContact CE2-CZ 3.48Å; Y71-Y215 VanDerWaalsContact CE2-CZ 3.48Å; Y71-Y215 AromaticContact CG-CE1 3.9Å; Y71-Y215 HydrophobicContact CG-CE1 3.9Å; Y71-Y215 AromaticContact CZ-CD1 3.58Å; Y71-Y215 AromaticContact CZ-CE1 3.62Å; Y71-Y215 WeakPolarHBondContact O-CE1 3.46Å; Y71-Y215 WeakPolarHBondContact OH-CA 3.46Å; P75-Y215 HydrophobicContact CG-CD1 4.02Å; P75-Y215 HydrophobicContact CG-CE1 3.65Å; S119-Y215 VanDerWaalsContact CA-OH 3.27Å; S119-Y215 WeakPolarHBondContact CA-OH 2.99Å; S119-Y215 WeakPolarHBondContact CB-OH 3.33Å; S119-Y215 PolarHBondContact O-OH 2.83Å; N212-Y215 WeakPolarHBondContact O-CB 3.46Å; N212-Y215 PolarHBondContact O-N 3.21Å; Y215-P219 HydrophobicContact CD1-CB 3.72Å; Y215-P219 HydrophobicContact CE1-CB 4.46Å; Y215-F223 HydrophobicContact CD1-CD2 4.45Å; Y215-F223 AromaticContact CD1-CE2 3.92Å; Y215-F223 HydrophobicContact CD1-CE2 3.92Å; Y215-F223 HydrophobicContact CD2-CE2 4.23Å; Y215-F223 AromaticContact CE1-CE2 3.89Å; Y215-F223 HydrophobicContact CE1-CE2 3.89Å; Y215-F223 HydrophobicContact CE2-CE2 4.21Å; Y215-F223 HydrophobicContact CG-CD2 4.42Å; Y215-F223 HydrophobicContact CG-CE2 4.08Å
216A85.9Confident84.1Confident13 Ų1329.7 Ų29.711%0.10716%0.161CC..  trans-115.5158.4176.100000111.4L61 G218 P219L61-A216 HydrophobicContact CB-CB 3.79Å; L61-A216 HydrophobicContact CD1-CB 3.88Å; L61-A216 HydrophobicContact CG-CB 3.99Å; A216-G218 PolarHBondContact O-N 2.68Å; A216-P219 VanDerWaalsContact O-CD 3.29Å; A216-P219 WeakPolarHBondContact O-CD 3.07Å
217A88.3Confident85.9Confident4 Ų426.4 Ų26.43%0.03315%0.146CC..Hα-helixtrans55.3-120.9165.700000113.6L55 K58 A221L55-A217 CarbonylContact O-C 3.31Å; L55-A217 VanDerWaalsContact O-C 3.31Å; L55-A217 WeakPolarHBondContact O-CA 3.22Å; L55-A217 WeakPolarHBondContact O-CB 3.38Å; K58-A217 HydrophobicContact CB-CB 3.8Å; K58-A217 HydrophobicContact CG-CB 4.19Å; K58-A217 VanDerWaalsContact O-CB 3.31Å; K58-A217 WeakPolarHBondContact O-CB 3.27Å; A217-A221 PolarHBondContact O-N 3.17Å
218G89.5Confident87.3Confident14 Ų1427 Ų2714%0.14415%0.147CC..Hα-helixtrans-61.4-55.1-176.400000114.6L55 A216 F220 A221 L222L55-G218 PolarHBondContact O-N 2.98Å; A216-G218 PolarHBondContact O-N 2.68Å; G218-F220 VanDerWaalsContact C-N 3.26Å; G218-F220 PolarHBondContact O-N 3.25Å; G218-A221 WeakPolarHBondContact O-CA 3.38Å; G218-A221 VanDerWaalsContact O-CB 3.29Å; G218-A221 WeakPolarHBondContact O-CB 3.32Å; G218-A221 PolarHBondContact O-N 3.45Å; G218-L222 PolarHBondContact O-N 3.13Å; G218-L222 VanDerWaalsContact O-N 3.07Å
219P90.2Very high88.2Confident35 Ų3521.6 Ų21.623%0.22712%0.115CC..Hα-helixtrans-53.8-39.4176-31.836.4000114.4P75 Y215 A216 L222P75-P219 WeakPolarHBondContact CB-O 3.38Å; P75-P219 HydrophobicContact CG-CB 4.1Å; Y215-P219 HydrophobicContact CD1-CB 3.72Å; Y215-P219 HydrophobicContact CE1-CB 4.46Å; A216-P219 VanDerWaalsContact O-CD 3.29Å; A216-P219 WeakPolarHBondContact O-CD 3.07Å; P219-L222 PolarHBondContact O-N 3.36Å
220F89.7Confident89.4Confident55 Ų5521.9 Ų21.924%0.24112%0.115CC..Hα-helixtrans-62.3-47172.3175.3-94000111.4L55 G218 L222 F223 F224L55-F220 HydrophobicContact CD2-CD1 4.24Å; G218-F220 VanDerWaalsContact C-N 3.26Å; G218-F220 PolarHBondContact O-N 3.25Å; F220-L222 PolarHBondContact O-N 3.45Å; F220-F223 PolarHBondContact O-N 3.41Å; F220-F223 VanDerWaalsContact O-N 3.09Å; F220-F224 AromaticContact CD1-CD2 3.65Å; F220-F224 HydrophobicContact CD1-CD2 3.65Å; F220-F224 AromaticContact CD1-CE2 3.87Å; F220-F224 HydrophobicContact CD1-CE2 3.87Å; F220-F224 HydrophobicContact CD2-CD2 4.11Å; F220-F224 AromaticContact CD2-CE2 3.68Å; F220-F224 HydrophobicContact CD2-CE2 3.68Å; F220-F224 AromaticContact CE1-CD2 3.36Å; F220-F224 HydrophobicContact CE1-CD2 3.36Å; F220-F224 AromaticContact CE1-CE2 3.28Å; F220-F224 HydrophobicContact CE1-CE2 3.28Å; F220-F224 HydrophobicContact CE1-CG 4.26Å; F220-F224 AromaticContact CE1-CZ 4Å; F220-F224 HydrophobicContact CE1-CZ 4Å; F220-F224 AromaticContact CE2-CD2 3.89Å; F220-F224 HydrophobicContact CE2-CD2 3.89Å; F220-F224 AromaticContact CE2-CE2 3.09Å; F220-F224 HydrophobicContact CE2-CE2 3.09Å; F220-F224 AromaticContact CE2-CZ 3.84Å; F220-F224 HydrophobicContact CE2-CZ 3.84Å; F220-F224 HydrophobicContact CG-CD2 4.03Å; F220-F224 HydrophobicContact CG-CE2 4.06Å; F220-F224 AromaticContact CZ-CD2 3.52Å; F220-F224 HydrophobicContact CZ-CD2 3.52Å; F220-F224 HydrophobicContact CZ-CE1 4.45Å; F220-F224 AromaticContact CZ-CE2 2.86Å; F220-F224 HydrophobicContact CZ-CE2 2.86Å; F220-F224 AromaticContact CZ-CZ 3.39Å; F220-F224 HydrophobicContact CZ-CZ 3.39Å; F220-F224 WeakPolarHBondContact O-CD2 3.28Å; F220-F224 PolarHBondContact O-N 2.92Å
221A91.5Very high89.9Confident5 Ų522.3 Ų22.34%0.04112%0.117CC..Hα-helixtrans-55.9-37.6178.100000112.3L55 A217 G218 F223 F224 M225L55-A221 HydrophobicContact CB-CB 4.14Å; L55-A221 HydrophobicContact CD1-CB 3.88Å; A217-A221 PolarHBondContact O-N 3.17Å; G218-A221 WeakPolarHBondContact O-CA 3.38Å; G218-A221 VanDerWaalsContact O-CB 3.29Å; G218-A221 WeakPolarHBondContact O-CB 3.32Å; G218-A221 PolarHBondContact O-N 3.45Å; A221-F223 PolarHBondContact O-N 2.88Å; A221-F224 PolarHBondContact O-N 3.42Å; A221-M225 HydrophobicContact CB-CE 4.37Å; A221-M225 WeakPolarHBondContact O-CB 3.37Å; A221-M225 WeakPolarHBondContact O-CG 3.44Å; A221-M225 PolarHBondContact O-N 3.07Å
222L92.8Very high90.7Very high37 Ų3722.2 Ų22.219%0.19412%0.117CC..Hα-helixtrans-61.4-40.6177.7-68169.3000112.7P75 T76 L79 G218 P219 F220 M225 A226P75-L222 HydrophobicContact CB-CB 3.72Å; P75-L222 HydrophobicContact CB-CD1 3.9Å; P75-L222 HydrophobicContact CB-CG 4.47Å; T76-L222 HydrophobicContact CG2-CD1 4.23Å; L79-L222 HydrophobicContact CB-CD2 4.48Å; L79-L222 HydrophobicContact CD2-CD2 3.63Å; G218-L222 PolarHBondContact O-N 3.13Å; G218-L222 VanDerWaalsContact O-N 3.07Å; P219-L222 PolarHBondContact O-N 3.36Å; F220-L222 PolarHBondContact O-N 3.45Å; L222-M225 HydrophobicContact CD2-CE 3.71Å; L222-M225 HydrophobicContact CG-CE 4.3Å; L222-A226 WeakPolarHBondContact O-CB 3.38Å; L222-A226 PolarHBondContact O-N 3.26Å
223F91.7Very high91.2Very high11 Ų1122.1 Ų22.15%0.04812%0.116CC..Hα-helixtrans-65.5-45.1174.5-78.1-62.4000112.3A74 P75 A78 F211 Y215 F220 A221 M225 A226 E227A74-F223 HydrophobicContact CB-CZ 4.18Å; P75-F223 HydrophobicContact CB-CD2 4.09Å; P75-F223 HydrophobicContact CB-CE2 3.8Å; P75-F223 HydrophobicContact CB-CZ 4.03Å; P75-F223 HydrophobicContact CG-CD2 4.23Å; P75-F223 HydrophobicContact CG-CE2 3.55Å; P75-F223 HydrophobicContact CG-CZ 3.9Å; A78-F223 HydrophobicContact CB-CD1 3.81Å; A78-F223 HydrophobicContact CB-CE1 3.79Å; F211-F223 HydrophobicContact CE2-CD1 4.02Å; F211-F223 HydrophobicContact CE2-CE1 4.24Å; F211-F223 HydrophobicContact CE2-CG 4.25Å; Y215-F223 HydrophobicContact CD1-CD2 4.45Å; Y215-F223 AromaticContact CD1-CE2 3.92Å; Y215-F223 HydrophobicContact CD1-CE2 3.92Å; Y215-F223 HydrophobicContact CD2-CE2 4.23Å; Y215-F223 AromaticContact CE1-CE2 3.89Å; Y215-F223 HydrophobicContact CE1-CE2 3.89Å; Y215-F223 HydrophobicContact CE2-CE2 4.21Å; Y215-F223 HydrophobicContact CG-CD2 4.42Å; Y215-F223 HydrophobicContact CG-CE2 4.08Å; F220-F223 PolarHBondContact O-N 3.41Å; F220-F223 VanDerWaalsContact O-N 3.09Å; A221-F223 PolarHBondContact O-N 2.88Å; F223-M225 VanDerWaalsContact C-N 3.34Å; F223-M225 PolarHBondContact O-N 3.2Å; F223-A226 WeakPolarHBondContact O-CB 3.41Å; F223-A226 PolarHBondContact O-N 3.13Å; F223-E227 PolarHBondContact O-N 3.5Å
224F90.1Very high91.8Very high37 Ų3719.6 Ų19.616%0.16210%0.104CC..Hα-helixtrans-61.2-45.7177.1-85.1-86.3000111.5E202 F220 A221 A226 E227 Y228E202-F224 WeakPolarHBondContact OE1-CZ 3.33Å; F220-F224 AromaticContact CD1-CD2 3.65Å; F220-F224 HydrophobicContact CD1-CD2 3.65Å; F220-F224 AromaticContact CD1-CE2 3.87Å; F220-F224 HydrophobicContact CD1-CE2 3.87Å; F220-F224 HydrophobicContact CD2-CD2 4.11Å; F220-F224 AromaticContact CD2-CE2 3.68Å; F220-F224 HydrophobicContact CD2-CE2 3.68Å; F220-F224 AromaticContact CE1-CD2 3.36Å; F220-F224 HydrophobicContact CE1-CD2 3.36Å; F220-F224 AromaticContact CE1-CE2 3.28Å; F220-F224 HydrophobicContact CE1-CE2 3.28Å; F220-F224 HydrophobicContact CE1-CG 4.26Å; F220-F224 AromaticContact CE1-CZ 4Å; F220-F224 HydrophobicContact CE1-CZ 4Å; F220-F224 AromaticContact CE2-CD2 3.89Å; F220-F224 HydrophobicContact CE2-CD2 3.89Å; F220-F224 AromaticContact CE2-CE2 3.09Å; F220-F224 HydrophobicContact CE2-CE2 3.09Å; F220-F224 AromaticContact CE2-CZ 3.84Å; F220-F224 HydrophobicContact CE2-CZ 3.84Å; F220-F224 HydrophobicContact CG-CD2 4.03Å; F220-F224 HydrophobicContact CG-CE2 4.06Å; F220-F224 AromaticContact CZ-CD2 3.52Å; F220-F224 HydrophobicContact CZ-CD2 3.52Å; F220-F224 HydrophobicContact CZ-CE1 4.45Å; F220-F224 AromaticContact CZ-CE2 2.86Å; F220-F224 HydrophobicContact CZ-CE2 2.86Å; F220-F224 AromaticContact CZ-CZ 3.39Å; F220-F224 HydrophobicContact CZ-CZ 3.39Å; F220-F224 WeakPolarHBondContact O-CD2 3.28Å; F220-F224 PolarHBondContact O-N 2.92Å; A221-F224 PolarHBondContact O-N 3.42Å; F224-A226 VanDerWaalsContact C-N 3.3Å; F224-A226 PolarHBondContact O-N 3.26Å; F224-E227 PolarHBondContact O-N 3.32Å; F224-Y228 AromaticContact CD1-CE2 3.96Å; F224-Y228 HydrophobicContact CD1-CE2 3.96Å; F224-Y228 WeakPolarHBondContact O-CD2 3.32Å; F224-Y228 PolarHBondContact O-N 3.4Å
225M92.5Very high92.2Very high33 Ų3317.7 Ų17.716%0.16310%0.095CC..Hα-helixtrans-58.4-45.8176.1-69.9-169.6-71.500110.7M17 F56 L79 A221 L222 F223 T229M17-M225 HydrophobicContact CE-CB 3.76Å; M17-M225 HydrophobicContact CE-CG 3.32Å; M17-M225 HydrophobicContact CE-SD 3.67Å; M17-M225 HydrophobicContact SD-CB 4.26Å; M17-M225 HydrophobicContact SD-CG 3.86Å; F56-M225 HydrophobicContact CZ-CE 4.22Å; L79-M225 HydrophobicContact CD1-CB 4.01Å; A221-M225 HydrophobicContact CB-CE 4.37Å; A221-M225 WeakPolarHBondContact O-CB 3.37Å; A221-M225 WeakPolarHBondContact O-CG 3.44Å; A221-M225 PolarHBondContact O-N 3.07Å; L222-M225 HydrophobicContact CD2-CE 3.71Å; L222-M225 HydrophobicContact CG-CE 4.3Å; F223-M225 VanDerWaalsContact C-N 3.34Å; F223-M225 PolarHBondContact O-N 3.2Å; M225-T229 WeakPolarHBondContact O-CB 3.49Å; M225-T229 VanDerWaalsContact O-CG2 3.29Å; M225-T229 WeakPolarHBondContact O-CG2 3.39Å; M225-T229 PolarHBondContact O-N 3.13Å; M225-T229 PolarHBondContact O-OG1 3.31Å
226A93.9Very high92.7Very high4 Ų417.5 Ų17.53%0.0339%0.094CC..Hα-helixtrans-60.5-48.6177.800000112.6A78 A82 L222 F223 F224 Y228 T229 N230A78-A226 HydrophobicContact CB-CB 3.89Å; A82-A226 HydrophobicContact CB-CB 4.05Å; L222-A226 WeakPolarHBondContact O-CB 3.38Å; L222-A226 PolarHBondContact O-N 3.26Å; F223-A226 WeakPolarHBondContact O-CB 3.41Å; F223-A226 PolarHBondContact O-N 3.13Å; F224-A226 VanDerWaalsContact C-N 3.3Å; F224-A226 PolarHBondContact O-N 3.26Å; A226-Y228 PolarHBondContact O-N 3.36Å; A226-T229 VanDerWaalsContact CA-OG1 3.31Å; A226-T229 WeakPolarHBondContact CA-OG1 3.46Å; A226-T229 PolarHBondContact O-N 3.15Å; A226-T229 PolarHBondContact O-OG1 3.31Å; A226-N230 WeakPolarHBondContact O-CB 3.4Å; A226-N230 VanDerWaalsContact O-CG 3.29Å; A226-N230 PolarHBondContact O-N 3.34Å; A226-N230 PolarHBondContact O-ND2 3.23Å
227E92.2Very high93.1Very high32 Ų3217 Ų1715%0.159%0.09CC..Hα-helixtrans-60-49.1179.4-169.2-166.9158.700111.5R195 F223 F224 T229 N230 I231R195-E227 WeakPolarHBondContact CD-OE1 3.19Å; R195-E227 IonicContact CZ-OE1 2.72Å; R195-E227 IonicContact NE-OE1 3.85Å; R195-E227 IonicContact NH1-OE1 2.83Å; R195-E227 PolarHBondContact NH1-OE1 3.49Å; R195-E227 IonicContact NH1-OE2 3.54Å; F223-E227 PolarHBondContact O-N 3.5Å; F224-E227 PolarHBondContact O-N 3.32Å; E227-T229 PolarHBondContact O-N 3.11Å; E227-N230 WeakPolarHBondContact O-CB 3.32Å; E227-N230 PolarHBondContact O-N 3.37Å; E227-N230 VanDerWaalsContact O-N 3.12Å; E227-I231 WeakPolarHBondContact O-CG1 3.47Å; E227-I231 PolarHBondContact O-N 3.02Å
228Y93.4Very high93.5Very high18 Ų1817 Ų177%0.0719%0.089CC..Hα-helixtrans-66-36.5178.2-79.2-72.5000112.8L20 M21 E24 R195 F224 A226 N230 I231 I232L20-Y228 HydrophobicContact CD2-CD1 3.52Å; L20-Y228 HydrophobicContact CD2-CE1 4.34Å; L20-Y228 HydrophobicContact CD2-CG 4.35Å; L20-Y228 HydrophobicContact CG-CD1 4.17Å; M21-Y228 HydrophobicContact CG-CD1 4.39Å; M21-Y228 HydrophobicContact CG-CD2 3.77Å; M21-Y228 HydrophobicContact CG-CE1 4.15Å; M21-Y228 HydrophobicContact CG-CE2 3.59Å; M21-Y228 HydrophobicContact CG-CG 4.2Å; M21-Y228 HydrophobicContact SD-CD2 4.13Å; M21-Y228 HydrophobicContact SD-CE2 3.99Å; E24-Y228 PolarHBondContact OE1-OH 3.44Å; E24-Y228 VanDerWaalsContact OE1-OH 3.1Å; E24-Y228 VanDerWaalsContact OE2-CE1 3.27Å; E24-Y228 WeakPolarHBondContact OE2-CE1 3.15Å; E24-Y228 PolarHBondContact OE2-OH 3.41Å; R195-Y228 PolarHBondContact NH2-OH 2.89Å; R195-Y228 VanDerWaalsContact NH2-OH 3.13Å; F224-Y228 AromaticContact CD1-CE2 3.96Å; F224-Y228 HydrophobicContact CD1-CE2 3.96Å; F224-Y228 WeakPolarHBondContact O-CD2 3.32Å; F224-Y228 PolarHBondContact O-N 3.4Å; A226-Y228 PolarHBondContact O-N 3.36Å; Y228-N230 VanDerWaalsContact C-N 3.3Å; Y228-N230 PolarHBondContact O-N 3.12Å; Y228-I231 HydrophobicContact CD1-CD1 4.01Å; Y228-I231 PolarHBondContact O-N 3.28Å; Y228-I232 PolarHBondContact O-N 2.84Å
229T95.4Very high93.9Very high0 Ų016.3 Ų16.30%08%0.083CC..Hα-helixtrans-64-37.3172.150.60000111.8I13 M17 A82 M225 A226 E227 I231 I232 M233I13-T229 HydrophobicContact CG2-CG2 3.95Å; M17-T229 HydrophobicContact CB-CG2 3.94Å; M17-T229 HydrophobicContact CG-CG2 4.05Å; A82-T229 VanDerWaalsContact CB-OG1 3.23Å; A82-T229 WeakPolarHBondContact CB-OG1 3.31Å; M225-T229 WeakPolarHBondContact O-CB 3.49Å; M225-T229 VanDerWaalsContact O-CG2 3.29Å; M225-T229 WeakPolarHBondContact O-CG2 3.39Å; M225-T229 PolarHBondContact O-N 3.13Å; M225-T229 PolarHBondContact O-OG1 3.31Å; A226-T229 VanDerWaalsContact CA-OG1 3.31Å; A226-T229 WeakPolarHBondContact CA-OG1 3.46Å; A226-T229 PolarHBondContact O-N 3.15Å; A226-T229 PolarHBondContact O-OG1 3.31Å; E227-T229 PolarHBondContact O-N 3.11Å; T229-I231 VanDerWaalsContact C-N 3.34Å; T229-I231 PolarHBondContact O-N 3.39Å; T229-I232 PolarHBondContact O-N 2.92Å; T229-M233 WeakPolarHBondContact O-CB 3.47Å; T229-M233 PolarHBondContact O-N 3.02Å
230N94.8Very high94.1Very high31 Ų3114.8 Ų14.817%0.1667%0.072CC..Hα-helixtrans-66.6-34.7175.7-73.6-18.6000112A82 T193 A226 E227 Y228 M233 M234A82-N230 WeakPolarHBondContact CA-OD1 3.39Å; A82-N230 VanDerWaalsContact CB-OD1 3.29Å; A82-N230 WeakPolarHBondContact CB-OD1 3.48Å; T193-N230 HydrophobicContact CG2-CB 4.44Å; A226-N230 WeakPolarHBondContact O-CB 3.4Å; A226-N230 VanDerWaalsContact O-CG 3.29Å; A226-N230 PolarHBondContact O-N 3.34Å; A226-N230 PolarHBondContact O-ND2 3.23Å; E227-N230 WeakPolarHBondContact O-CB 3.32Å; E227-N230 PolarHBondContact O-N 3.37Å; E227-N230 VanDerWaalsContact O-N 3.12Å; Y228-N230 VanDerWaalsContact C-N 3.3Å; Y228-N230 PolarHBondContact O-N 3.12Å; N230-M233 PolarHBondContact O-N 3.24Å; N230-M234 WeakPolarHBondContact O-CB 3.44Å; N230-M234 VanDerWaalsContact O-CG 3.29Å; N230-M234 WeakPolarHBondContact O-CG 3.39Å; N230-M234 PolarHBondContact O-N 3.26Å
231I94.9Very high94.4Very high8 Ų812.2 Ų12.24%0.0416%0.061CC..Hα-helixtrans-61.2-48.7174.3-67.1165.4000111.2L20 T193 R195 E227 Y228 T229 M233 N235 F270L20-I231 HydrophobicContact CD2-CB 4.49Å; L20-I231 HydrophobicContact CD2-CG2 4.31Å; T193-I231 HydrophobicContact CG2-CG1 4.19Å; R195-I231 HydrophobicContact CG-CD1 3.86Å; R195-I231 HydrophobicContact CG-CG1 4.19Å; E227-I231 WeakPolarHBondContact O-CG1 3.47Å; E227-I231 PolarHBondContact O-N 3.02Å; Y228-I231 HydrophobicContact CD1-CD1 4.01Å; Y228-I231 PolarHBondContact O-N 3.28Å; T229-I231 VanDerWaalsContact C-N 3.34Å; T229-I231 PolarHBondContact O-N 3.39Å; I231-M233 VanDerWaalsContact C-N 3.34Å; I231-N235 WeakPolarHBondContact O-CB 3.42Å; I231-N235 PolarHBondContact O-N 3.43Å; I231-N235 VanDerWaalsContact O-N 3.13Å; I231-N235 PolarHBondContact O-ND2 2.86Å; I231-F270 HydrophobicContact CG2-CD2 3.83Å; I231-F270 HydrophobicContact CG2-CE2 4.34Å
232I96.1Very high94.6Very high19 Ų1912.2 Ų12.210%0.0976%0.06CC..Hα-helixtrans-67-42.8179.3-50173000109.2A16 M17 L20 W86 Y228 T229 M234 N235 T236A16-I232 HydrophobicContact CB-CD1 4.23Å; M17-I232 HydrophobicContact CB-CD1 4.47Å; L20-I232 HydrophobicContact CB-CD1 4.31Å; L20-I232 HydrophobicContact CD2-CD1 3.99Å; L20-I232 HydrophobicContact CD2-CG1 3.68Å; W86-I232 HydrophobicContact CH2-CB 3.94Å; W86-I232 HydrophobicContact CH2-CG2 3.59Å; W86-I232 HydrophobicContact CZ2-CB 3.94Å; W86-I232 HydrophobicContact CZ2-CG2 4.14Å; Y228-I232 PolarHBondContact O-N 2.84Å; T229-I232 PolarHBondContact O-N 2.92Å; I232-M234 PolarHBondContact O-N 2.88Å; I232-N235 PolarHBondContact O-N 3.04Å; I232-T236 HydrophobicContact CG2-CG2 4.22Å; I232-T236 VanDerWaalsContact O-CG2 3.24Å; I232-T236 WeakPolarHBondContact O-CG2 3.15Å; I232-T236 PolarHBondContact O-N 3.26Å; I232-T236 PolarHBondContact O-OG1 3.47Å
233M95.9Very high94.7Very high0 Ų011.9 Ų11.90%06%0.058CC..Hα-helixtrans-59.6-48.9179.8-173.5-82-6200112.1L85 W86 L89 T229 N230 I231 N235 T236 L237L85-M233 HydrophobicContact CB-CE 3.81Å; L85-M233 HydrophobicContact CB-CG 3.89Å; L85-M233 HydrophobicContact CB-SD 3.93Å; L85-M233 HydrophobicContact CD1-CE 3.5Å; L85-M233 HydrophobicContact CD2-CE 4.15Å; L85-M233 HydrophobicContact CG-CE 4.02Å; W86-M233 HydrophobicContact CD2-CB 4.45Å; W86-M233 HydrophobicContact CD2-CG 4.41Å; W86-M233 HydrophobicContact CZ2-CB 3.75Å; L89-M233 HydrophobicContact CD1-CG 4.11Å; T229-M233 WeakPolarHBondContact O-CB 3.47Å; T229-M233 PolarHBondContact O-N 3.02Å; N230-M233 PolarHBondContact O-N 3.24Å; I231-M233 VanDerWaalsContact C-N 3.34Å; M233-N235 VanDerWaalsContact C-N 3.34Å; M233-N235 PolarHBondContact O-N 2.99Å; M233-T236 WeakPolarHBondContact CA-OG1 3.26Å; M233-T236 PolarHBondContact O-N 3.46Å; M233-T236 VanDerWaalsContact O-N 3.1Å; M233-T236 PolarHBondContact O-OG1 3.06Å; M233-L237 PolarHBondContact O-N 3.02Å
234M95.1Very high94.5Very high7 Ų711.4 Ų11.43%0.0346%0.057CC..Hα-helixtrans-62.2-42.1177.2-70.9-55.2179.500111.6T189 E192 T193 N230 I232 T236 L237 T238T189-M234 HydrophobicContact CG2-CB 4.41Å; T189-M234 HydrophobicContact CG2-SD 4.46Å; E192-M234 HydrophobicContact CG-CE 3.98Å; E192-M234 WeakPolarHBondContact OE1-CE 3.47Å; E192-M234 VanDerWaalsContact OE2-CE 3.27Å; E192-M234 WeakPolarHBondContact OE2-CE 3.34Å; T193-M234 HydrophobicContact CG2-CB 4.21Å; T193-M234 HydrophobicContact CG2-CG 3.76Å; N230-M234 WeakPolarHBondContact O-CB 3.44Å; N230-M234 VanDerWaalsContact O-CG 3.29Å; N230-M234 WeakPolarHBondContact O-CG 3.39Å; N230-M234 PolarHBondContact O-N 3.26Å; I232-M234 PolarHBondContact O-N 2.88Å; M234-T236 VanDerWaalsContact C-N 3.32Å; M234-T236 PolarHBondContact O-N 3.37Å; M234-L237 PolarHBondContact O-N 3.42Å; M234-T238 WeakPolarHBondContact O-CG2 3.49Å; M234-T238 PolarHBondContact O-N 2.95Å
235N96.3Very high94.4Very high0 Ų010 Ų100%05%0.051CC..Hα-helixtrans-63.7-38.3174.6-76.7-60.1000111.9I231 I232 M233 L237 T238 T239 L266 T267 F270I231-N235 WeakPolarHBondContact O-CB 3.42Å; I231-N235 PolarHBondContact O-N 3.43Å; I231-N235 VanDerWaalsContact O-N 3.13Å; I231-N235 PolarHBondContact O-ND2 2.86Å; I232-N235 PolarHBondContact O-N 3.04Å; M233-N235 VanDerWaalsContact C-N 3.34Å; M233-N235 PolarHBondContact O-N 2.99Å; N235-L237 VanDerWaalsContact C-N 3.34Å; N235-L237 PolarHBondContact O-N 3.44Å; N235-T238 WeakPolarHBondContact CA-OG1 3.31Å; N235-T238 PolarHBondContact O-N 3.42Å; N235-T238 PolarHBondContact O-OG1 3.28Å; N235-T239 PolarHBondContact O-N 3.45Å; N235-T239 PolarHBondContact O-OG1 3.25Å; N235-L266 HydrophobicContact CB-CB 4.3Å; N235-L266 WeakPolarHBondContact OD1-CB 3.41Å; N235-T267 HydrophobicContact CB-CG2 3.78Å; N235-F270 WeakPolarHBondContact OD1-CD1 3.2Å; N235-F270 VanDerWaalsContact OD1-CE1 3.27Å; N235-F270 WeakPolarHBondContact OD1-CE1 3.37Å
236T95.6Very high94Very high4 Ų412.9 Ų12.93%0.0257%0.071CC..Hα-helixtrans-64.2-39.7174.160.30000112.2W86 L89 I232 M233 M234 T239 T240 F259 T263W86-T236 HydrophobicContact CH2-CG2 4.04Å; W86-T236 HydrophobicContact CZ3-CG2 3.98Å; L89-T236 VanDerWaalsContact CD1-OG1 3.25Å; L89-T236 WeakPolarHBondContact CD1-OG1 3.46Å; I232-T236 HydrophobicContact CG2-CG2 4.22Å; I232-T236 VanDerWaalsContact O-CG2 3.24Å; I232-T236 WeakPolarHBondContact O-CG2 3.15Å; I232-T236 PolarHBondContact O-N 3.26Å; I232-T236 PolarHBondContact O-OG1 3.47Å; M233-T236 WeakPolarHBondContact CA-OG1 3.26Å; M233-T236 PolarHBondContact O-N 3.46Å; M233-T236 VanDerWaalsContact O-N 3.1Å; M233-T236 PolarHBondContact O-OG1 3.06Å; M234-T236 VanDerWaalsContact C-N 3.32Å; M234-T236 PolarHBondContact O-N 3.37Å; T236-T239 WeakPolarHBondContact CA-OG1 3.06Å; T236-T239 PolarHBondContact O-N 3.16Å; T236-T239 PolarHBondContact O-OG1 3.25Å; T236-T240 WeakPolarHBondContact O-CG2 3.47Å; T236-T240 PolarHBondContact O-N 3.46Å; T236-F259 HydrophobicContact CG2-CE1 4.27Å; T236-F259 HydrophobicContact CG2-CZ 4.45Å; T236-T263 HydrophobicContact CG2-CG2 3.82Å
237L96.2Very high93.7Very high2 Ų217 Ų171%0.019%0.086CC..Hα-helixtrans-69.2-37.3175.8-176135.4000112.3L89 L102 I105 W185 M233 M234 N235 T239 T240 I241L89-L237 HydrophobicContact CD2-CB 4.27Å; L89-L237 HydrophobicContact CD2-CD1 4.35Å; L102-L237 HydrophobicContact CD2-CD1 4.35Å; I105-L237 HydrophobicContact CB-CD1 4.38Å; I105-L237 HydrophobicContact CD1-CD1 3.33Å; I105-L237 HydrophobicContact CG1-CD1 4.41Å; I105-L237 HydrophobicContact CG2-CD1 3.71Å; W185-L237 HydrophobicContact CH2-CD2 3.52Å; W185-L237 HydrophobicContact CZ2-CD2 3.06Å; M233-L237 PolarHBondContact O-N 3.02Å; M234-L237 PolarHBondContact O-N 3.42Å; N235-L237 VanDerWaalsContact C-N 3.34Å; N235-L237 PolarHBondContact O-N 3.44Å; L237-T239 VanDerWaalsContact C-N 3.27Å; L237-T239 PolarHBondContact O-N 2.96Å; L237-T240 WeakPolarHBondContact CA-OG1 3.28Å; L237-T240 PolarHBondContact O-N 3.07Å; L237-T240 PolarHBondContact O-OG1 3.01Å; L237-I241 HydrophobicContact CD2-CD1 3.33Å; L237-I241 HydrophobicContact CD2-CG1 4.48Å; L237-I241 HydrophobicContact CG-CD1 3.8Å; L237-I241 WeakPolarHBondContact O-CD1 3.33Å; L237-I241 WeakPolarHBondContact O-CG1 3.09Å; L237-I241 PolarHBondContact O-N 2.85Å
238T96.8Very high93.3Very high5 Ų519.1 Ų19.13%0.03110%0.098CC..Hα-helixtrans-61.3-38.717369.90000111T189 M234 N235 F242 L266T189-T238 HydrophobicContact CG2-CG2 4.09Å; M234-T238 WeakPolarHBondContact O-CG2 3.49Å; M234-T238 PolarHBondContact O-N 2.95Å; N235-T238 WeakPolarHBondContact CA-OG1 3.31Å; N235-T238 PolarHBondContact O-N 3.42Å; N235-T238 PolarHBondContact O-OG1 3.28Å; T238-F242 PolarHBondContact O-N 3.13Å; T238-L266 WeakPolarHBondContact OG1-CD1 3.41Å
239T96.4Very high92.7Very high0 Ų021.7 Ų21.70%012%0.123CC..Hα-helixtrans-69.8-37.4175.9500000113N235 T236 L237 I241 L243 G244 F259 K262 T263 L266N235-T239 PolarHBondContact O-N 3.45Å; N235-T239 PolarHBondContact O-OG1 3.25Å; T236-T239 WeakPolarHBondContact CA-OG1 3.06Å; T236-T239 PolarHBondContact O-N 3.16Å; T236-T239 PolarHBondContact O-OG1 3.25Å; L237-T239 VanDerWaalsContact C-N 3.27Å; L237-T239 PolarHBondContact O-N 2.96Å; T239-I241 VanDerWaalsContact C-N 3.34Å; T239-L243 CarbonylContact O-C 3.43Å; T239-L243 WeakPolarHBondContact O-CA 3.22Å; T239-L243 PolarHBondContact O-N 3.34Å; T239-G244 PolarHBondContact O-N 3.17Å; T239-G244 VanDerWaalsContact O-N 3.15Å; T239-F259 WeakPolarHBondContact OG1-CE2 3.37Å; T239-F259 WeakPolarHBondContact OG1-CZ 3.43Å; T239-K262 HydrophobicContact CG2-CB 3.95Å; T239-T263 HydrophobicContact CG2-CG2 3.84Å; T239-T263 WeakPolarHBondContact OG1-CG2 3.46Å; T239-L266 HydrophobicContact CG2-CD1 3.45Å; T239-L266 VanDerWaalsContact CG2-CD1 3.45Å; T239-L266 HydrophobicContact CG2-CG 4.21Å
240T95Very high92.3Very high2 Ų229.3 Ų29.31%0.01216%0.163CC..Hα-helixtrans-66.6-37.9176.856.30000111.6P90 Q169 T236 L237 F259P90-T240 HydrophobicContact CG-CG2 4.04Å; Q169-T240 PolarHBondContact NE2-O 3.48Å; T236-T240 WeakPolarHBondContact O-CG2 3.47Å; T236-T240 PolarHBondContact O-N 3.46Å; L237-T240 WeakPolarHBondContact CA-OG1 3.28Å; L237-T240 PolarHBondContact O-N 3.07Å; L237-T240 PolarHBondContact O-OG1 3.01Å; T240-F259 HydrophobicContact CG2-CE2 3.45Å; T240-F259 VanDerWaalsContact CG2-CE2 3.45Å; T240-F259 HydrophobicContact CG2-CZ 3.64Å
241I95.4Very high92Very high1 Ų128.9 Ų28.91%0.00516%0.163CC..Hα-helixtrans-77.4-43.8-177-63.6161.7000112.2L102 L150 T153 L165 Q169 L174 W185 L237 T239L102-I241 HydrophobicContact CD2-CD1 4.42Å; L150-I241 HydrophobicContact CD2-CD1 3.39Å; L150-I241 HydrophobicContact CD2-CG1 4.4Å; T153-I241 HydrophobicContact CG2-CG2 4.34Å; L165-I241 HydrophobicContact CD1-CG1 4.22Å; Q169-I241 PolarHBondContact NE2-O 3.28Å; L174-I241 WeakPolarHBondContact CB-O 3.08Å; L174-I241 HydrophobicContact CD2-CG2 4.31Å; L174-I241 VanDerWaalsContact CD2-O 3.26Å; L174-I241 WeakPolarHBondContact CD2-O 3.25Å; W185-I241 HydrophobicContact CH2-CD1 4.37Å; W185-I241 HydrophobicContact CZ2-CD1 4.13Å; L237-I241 HydrophobicContact CD2-CD1 3.33Å; L237-I241 HydrophobicContact CD2-CG1 4.48Å; L237-I241 HydrophobicContact CG-CD1 3.8Å; L237-I241 WeakPolarHBondContact O-CD1 3.33Å; L237-I241 WeakPolarHBondContact O-CG1 3.09Å; L237-I241 PolarHBondContact O-N 2.85Å; T239-I241 VanDerWaalsContact C-N 3.34Å
242F95.9Very high91.7Very high6 Ų630.6 Ų30.63%0.02618%0.175CC..Hα-helixtrans-111.2-28.3-168.7-66.4-73.9000114.9T153 Q169 L174 L175 S178 A182 W185 T238T153-F242 HydrophobicContact CG2-CE1 3.65Å; T153-F242 HydrophobicContact CG2-CZ 3.66Å; Q169-F242 VanDerWaalsContact OE1-C 3.32Å; Q169-F242 PolarHBondContact OE1-O 3.14Å; L174-F242 PolarHBondContact N-O 3.24Å; L175-F242 HydrophobicContact CB-CB 4.13Å; L175-F242 WeakPolarHBondContact CB-O 3.42Å; L175-F242 HydrophobicContact CD1-CB 4.41Å; L175-F242 PolarHBondContact N-O 3.29Å; S178-F242 VanDerWaalsContact OG-CE1 3.31Å; S178-F242 WeakPolarHBondContact OG-CE1 3.25Å; A182-F242 HydrophobicContact CB-CD1 3.54Å; A182-F242 HydrophobicContact CB-CD2 4.34Å; A182-F242 HydrophobicContact CB-CE1 3.6Å; A182-F242 HydrophobicContact CB-CE2 4.42Å; A182-F242 HydrophobicContact CB-CG 3.92Å; A182-F242 HydrophobicContact CB-CZ 4.05Å; W185-F242 HydrophobicContact CB-CE2 3.78Å; W185-F242 HydrophobicContact CB-CZ 4.01Å; W185-F242 AromaticContact CD1-CD2 3.91Å; W185-F242 AromaticContact CD1-CE2 3.39Å; W185-F242 HydrophobicContact CD2-CE2 4Å; W185-F242 HydrophobicContact CG-CD2 4.34Å; W185-F242 AromaticContact CG-CE2 3.4Å; W185-F242 HydrophobicContact CG-CE2 3.4Å; W185-F242 VanDerWaalsContact CG-CE2 3.4Å; W185-F242 HydrophobicContact CG-CZ 4.07Å; W185-F242 AromaticContact NE1-CE2 3.96Å; T238-F242 PolarHBondContact O-N 3.13Å
243L94.3Very high91.4Very high29 Ų2935.7 Ų35.715%0.15220%0.198CC..SBendtrans-125.541.7-170.4-65.8175.3000111.5W173 L175 T239 K262 L266W173-L243 HydrophobicContact CD2-CD2 4.27Å; W173-L243 HydrophobicContact CE3-CD2 4Å; L175-L243 HydrophobicContact CB-CD2 4.16Å; L175-L243 HydrophobicContact CD1-CD2 3.97Å; L175-L243 HydrophobicContact CD1-CG 4.3Å; T239-L243 CarbonylContact O-C 3.43Å; T239-L243 WeakPolarHBondContact O-CA 3.22Å; T239-L243 PolarHBondContact O-N 3.34Å; L243-K262 HydrophobicContact CB-CD 4.25Å; L243-K262 VanDerWaalsContact O-CD 3.31Å; L243-K262 WeakPolarHBondContact O-CD 3.31Å; L243-K262 PolarHBondContact O-NZ 2.9Å; L243-L266 HydrophobicContact CD1-CD1 4.25Å; L243-L266 HydrophobicContact CD1-CD2 4.38Å
244G88.7Confident91.2Very high1 Ų139.9 Ų39.91%0.0122%0.22CC..  trans-50.5151.9176.200000112.6W173 T239 K262W173-G244 PolarHBondContact NE1-O 2.84Å; T239-G244 PolarHBondContact O-N 3.17Å; T239-G244 VanDerWaalsContact O-N 3.15Å; G244-K262 PolarHBondContact O-NZ 2.6Å
245T87.4Confident91Very high8 Ų839.6 Ų39.65%0.04922%0.218CC..  trans-112.5147.9176.941.80000109.1Y247 Y255 K262T245-Y247 PolarHBondContact O-N 2.94Å; T245-Y255 WeakPolarHBondContact O-CE2 3.13Å; T245-Y255 WeakPolarHBondContact OG1-CD2 3.5Å; T245-Y255 WeakPolarHBondContact OG1-CE2 3.11Å; T245-K262 HydrophobicContact CG2-CD 3.86Å
246T84Confident90.9Very high93 Ų9341.6 Ų41.657%0.57123%0.231SC*.  trans-65133.4176.248.10000109.6
247Y87.1Confident90.8Very high91 Ų9144.8 Ų44.836%0.35725%0.25SS..  trans-94.1115.9176.7175.1-106.6000109.6P92 T245 A249 P252P92-Y247 HydrophobicContact CB-CD2 3.55Å; P92-Y247 HydrophobicContact CB-CE2 3.62Å; P92-Y247 HydrophobicContact CG-CD2 3.97Å; P92-Y247 HydrophobicContact CG-CE2 3.61Å; T245-Y247 PolarHBondContact O-N 2.94Å; Y247-A249 HydrophobicContact CE1-CB 4.09Å; Y247-P252 HydrophobicContact CE2-CB 4.39Å
248D83.7Confident90.6Very high76 Ų7651.1 Ų51.141%0.40628%0.275SS..  trans-101.8120.6168.2-179.518.4000109.2L250 S251D248-L250 PolarHBondContact O-N 2.98Å; D248-L250 PolarHBondContact OD1-N 2.89Å; D248-S251 CarbonylContact O-C 3Å; D248-S251 PolarHBondContact O-N 2.87Å; D248-S251 PolarHBondContact OD2-OG 3.28Å
249A82.5Confident90.6Very high72 Ų7250.9 Ų50.960%0.59527%0.274SS*.THydrogen-bonded Turntrans-66-24.6-175.400000113.1Y247Y247-A249 HydrophobicContact CE1-CB 4.09Å
250L85.8Confident90.5Very high160 Ų16053.9 Ų53.984%0.83829%0.292SS*.THydrogen-bonded Turntrans-77.4-23.5178.6-67.9170.2000112.7D248D248-L250 PolarHBondContact O-N 2.98Å; D248-L250 PolarHBondContact OD1-N 2.89Å
251S88.1Confident90.5Very high22 Ų2257.7 Ų57.715%0.15432%0.315CS..  trans-141.268.1-171.959.90000112.1D248 E253 L254D248-S251 CarbonylContact O-C 3Å; D248-S251 PolarHBondContact O-N 2.87Å; D248-S251 PolarHBondContact OD2-OG 3.28Å; S251-E253 PolarHBondContact O-N 3.24Å; S251-E253 VanDerWaalsContact O-N 3.1Å; S251-L254 PolarHBondContact O-N 3.3Å; S251-L254 WeakPolarHBondContact OG-CD1 3.46Å
252P88.5Confident90.5Very high45 Ų4559.6 Ų59.629%0.29232%0.323SS..Hα-helixtrans-61.7-22.1-178.127.1-35.1000113P92 Y247 L254 Y255 T256P92-P252 HydrophobicContact CG-CB 3.97Å; Y247-P252 HydrophobicContact CE2-CB 4.39Å; P252-L254 VanDerWaalsContact C-N 3.29Å; P252-L254 PolarHBondContact O-N 3.35Å; P252-Y255 PolarHBondContact O-N 2.85Å; P252-T256 PolarHBondContact O-N 2.79Å
253E91.1Very high90.5Very high126 Ų12659.7 Ų59.759%0.58932%0.324SS*.Hα-helixtrans-67.3-28.2175.7-54.386.8-179.800112.8S251 Y255 T256 T257S251-E253 PolarHBondContact O-N 3.24Å; S251-E253 VanDerWaalsContact O-N 3.1Å; E253-Y255 VanDerWaalsContact C-N 3.34Å; E253-T256 WeakPolarHBondContact CA-OG1 3.44Å; E253-T256 PolarHBondContact O-N 3.21Å; E253-T256 PolarHBondContact O-OG1 3.04Å; E253-T257 VanDerWaalsContact O-CG2 3.32Å; E253-T257 WeakPolarHBondContact O-CG2 3.38Å; E253-T257 PolarHBondContact O-N 3.26Å; E253-T257 PolarHBondContact O-OG1 3.2Å; E253-T257 VanDerWaalsContact O-OG1 3.13Å
254L91.1Very high90.6Very high88 Ų8863.1 Ų63.146%0.46134%0.342SS..Hα-helixtrans-66.1-41.4175.8-68-176.1000110.6S251 P252 T256 T257 Y258S251-L254 PolarHBondContact O-N 3.3Å; S251-L254 WeakPolarHBondContact OG-CD1 3.46Å; P252-L254 VanDerWaalsContact C-N 3.29Å; P252-L254 PolarHBondContact O-N 3.35Å; L254-T256 PolarHBondContact O-N 3.02Å; L254-T257 PolarHBondContact O-N 3.06Å; L254-T257 PolarHBondContact O-OG1 3.1Å; L254-Y258 HydrophobicContact CB-CE2 4.36Å; L254-Y258 WeakPolarHBondContact O-CD2 3.24Å; L254-Y258 PolarHBondContact O-N 3.02Å; L254-Y258 VanDerWaalsContact O-N 3.09Å
255Y91.8Very high91Very high1 Ų167.9 Ų67.90%0.00437%0.367CS..Hα-helixtrans-57.7-49.8173.9179.2-81.5000110.9P92 I166 T245 P252 E253 T257 Y258 F259P92-Y255 HydrophobicContact CB-CD1 3.5Å; P92-Y255 HydrophobicContact CB-CD2 4.38Å; P92-Y255 HydrophobicContact CB-CE1 3.89Å; P92-Y255 HydrophobicContact CB-CG 3.81Å; P92-Y255 HydrophobicContact CG-CD1 4.15Å; P92-Y255 HydrophobicContact CG-CG 4.44Å; I166-Y255 HydrophobicContact CD1-CE1 4.46Å; I166-Y255 HydrophobicContact CD1-CE2 3.94Å; I166-Y255 VanDerWaalsContact CD1-OH 3.26Å; I166-Y255 WeakPolarHBondContact CD1-OH 3.17Å; I166-Y255 HydrophobicContact CG1-CE2 4.16Å; I166-Y255 WeakPolarHBondContact CG1-OH 3.05Å; I166-Y255 HydrophobicContact CG2-CE2 3.78Å; T245-Y255 WeakPolarHBondContact O-CE2 3.13Å; T245-Y255 WeakPolarHBondContact OG1-CD2 3.5Å; T245-Y255 WeakPolarHBondContact OG1-CE2 3.11Å; P252-Y255 PolarHBondContact O-N 2.85Å; E253-Y255 VanDerWaalsContact C-N 3.34Å; Y255-T257 PolarHBondContact O-N 3.22Å; Y255-Y258 PolarHBondContact O-N 3.36Å; Y255-F259 HydrophobicContact CD1-CB 4.35Å; Y255-F259 HydrophobicContact CE1-CB 4.08Å; Y255-F259 HydrophobicContact CE1-CD2 4.41Å; Y255-F259 HydrophobicContact CE1-CG 4.24Å; Y255-F259 WeakPolarHBondContact O-CB 3.34Å; Y255-F259 PolarHBondContact O-N 2.68Å
256T93.2Very high91.4Very high42 Ų4268.3 Ų68.326%0.25837%0.369SS..Hα-helixtrans-64-40-176.960.50000112.2P92 P252 E253 L254 F259 V260P92-T256 VanDerWaalsContact CD-CG2 3.41Å; P252-T256 PolarHBondContact O-N 2.79Å; E253-T256 WeakPolarHBondContact CA-OG1 3.44Å; E253-T256 PolarHBondContact O-N 3.21Å; E253-T256 PolarHBondContact O-OG1 3.04Å; L254-T256 PolarHBondContact O-N 3.02Å; T256-F259 PolarHBondContact O-N 2.82Å; T256-V260 WeakPolarHBondContact O-CB 3.11Å; T256-V260 WeakPolarHBondContact O-CG2 3.27Å; T256-V260 PolarHBondContact O-N 2.8Å
257T92.9Very high91.9Very high71 Ų7164.3 Ų64.344%0.43634%0.344SS..Hα-helixtrans-64.6-47.8177.755.10000112.2E253 L254 Y255 F259 V260 T261E253-T257 VanDerWaalsContact O-CG2 3.32Å; E253-T257 WeakPolarHBondContact O-CG2 3.38Å; E253-T257 PolarHBondContact O-N 3.26Å; E253-T257 PolarHBondContact O-OG1 3.2Å; E253-T257 VanDerWaalsContact O-OG1 3.13Å; L254-T257 PolarHBondContact O-N 3.06Å; L254-T257 PolarHBondContact O-OG1 3.1Å; Y255-T257 PolarHBondContact O-N 3.22Å; T257-F259 PolarHBondContact O-N 3.49Å; T257-V260 PolarHBondContact O-N 2.93Å; T257-T261 VanDerWaalsContact O-CG2 3.28Å; T257-T261 WeakPolarHBondContact O-CG2 3.24Å; T257-T261 PolarHBondContact O-N 3.15Å; T257-T261 PolarHBondContact O-OG1 3.47Å
258Y93.9Very high92.2Very high134 Ų13462 Ų6253%0.52534%0.342SS..Hα-helixtrans-64.6-41.2176.3-70.3-58000112.2L254 Y255 T261 K262L254-Y258 HydrophobicContact CB-CE2 4.36Å; L254-Y258 WeakPolarHBondContact O-CD2 3.24Å; L254-Y258 PolarHBondContact O-N 3.02Å; L254-Y258 VanDerWaalsContact O-N 3.09Å; Y255-Y258 PolarHBondContact O-N 3.36Å; Y258-T261 WeakPolarHBondContact CA-OG1 3.25Å; Y258-T261 PolarHBondContact O-N 3.29Å; Y258-T261 PolarHBondContact O-OG1 3.2Å; Y258-K262 WeakPolarHBondContact O-CG 3.35Å; Y258-K262 PolarHBondContact O-N 2.65Å; Y258-K262 VanDerWaalsContact O-N 3.08Å
259F95.1Very high92.7Very high1 Ų161.1 Ų61.10%0.00434%0.336CS..Hα-helixtrans-58.4-52.4175.5-178.5-103.5000111.1M91 T236 T239 T240 Y255 T256 T257 T261 K262 T263M91-F259 HydrophobicContact CG-CD1 4.12Å; M91-F259 HydrophobicContact CG-CE1 3.79Å; M91-F259 HydrophobicContact SD-CE1 4.18Å; T236-F259 HydrophobicContact CG2-CE1 4.27Å; T236-F259 HydrophobicContact CG2-CZ 4.45Å; T239-F259 WeakPolarHBondContact OG1-CE2 3.37Å; T239-F259 WeakPolarHBondContact OG1-CZ 3.43Å; T240-F259 HydrophobicContact CG2-CE2 3.45Å; T240-F259 VanDerWaalsContact CG2-CE2 3.45Å; T240-F259 HydrophobicContact CG2-CZ 3.64Å; Y255-F259 HydrophobicContact CD1-CB 4.35Å; Y255-F259 HydrophobicContact CE1-CB 4.08Å; Y255-F259 HydrophobicContact CE1-CD2 4.41Å; Y255-F259 HydrophobicContact CE1-CG 4.24Å; Y255-F259 WeakPolarHBondContact O-CB 3.34Å; Y255-F259 PolarHBondContact O-N 2.68Å; T256-F259 PolarHBondContact O-N 2.82Å; T257-F259 PolarHBondContact O-N 3.49Å; F259-T261 PolarHBondContact O-N 3.22Å; F259-K262 PolarHBondContact O-N 3.09Å; F259-T263 HydrophobicContact CD1-CG2 3.94Å; F259-T263 HydrophobicContact CD2-CG2 4.44Å; F259-T263 HydrophobicContact CE1-CG2 3.72Å; F259-T263 HydrophobicContact CE2-CG2 4.24Å; F259-T263 HydrophobicContact CG-CG2 4.29Å; F259-T263 HydrophobicContact CZ-CG2 3.89Å; F259-T263 WeakPolarHBondContact O-CG2 3.14Å; F259-T263 PolarHBondContact O-N 3.11Å
260V94.9Very high93.3Very high63 Ų6358.1 Ų58.138%0.38231%0.31SS..Hα-helixtrans-62.7-39.4179.9171.30000112.2T256 T257 K262 T263 L264T256-V260 WeakPolarHBondContact O-CB 3.11Å; T256-V260 WeakPolarHBondContact O-CG2 3.27Å; T256-V260 PolarHBondContact O-N 2.8Å; T257-V260 PolarHBondContact O-N 2.93Å; V260-K262 PolarHBondContact O-N 3.26Å; V260-T263 WeakPolarHBondContact CA-OG1 3.45Å; V260-T263 PolarHBondContact O-N 3.17Å; V260-T263 PolarHBondContact O-OG1 3.4Å; V260-L264 HydrophobicContact CG1-CD1 3.91Å; V260-L264 HydrophobicContact CG1-CG 4.26Å; V260-L264 WeakPolarHBondContact O-CB 3.42Å; V260-L264 VanDerWaalsContact O-CG 3.25Å; V260-L264 WeakPolarHBondContact O-CG 3.37Å; V260-L264 PolarHBondContact O-N 2.98Å
261T95.4Very high93.6Very high82 Ų8251.2 Ų51.250%0.50327%0.274SS..Hα-helixtrans-64.2-40.4176.656.60000112.2T257 Y258 F259 L264 L265T257-T261 VanDerWaalsContact O-CG2 3.28Å; T257-T261 WeakPolarHBondContact O-CG2 3.24Å; T257-T261 PolarHBondContact O-N 3.15Å; T257-T261 PolarHBondContact O-OG1 3.47Å; Y258-T261 WeakPolarHBondContact CA-OG1 3.25Å; Y258-T261 PolarHBondContact O-N 3.29Å; Y258-T261 PolarHBondContact O-OG1 3.2Å; F259-T261 PolarHBondContact O-N 3.22Å; T261-L264 PolarHBondContact O-N 3.39Å; T261-L265 PolarHBondContact O-N 3.3Å
262K96Very high93.9Very high41 Ų4156.2 Ų56.218%0.17829%0.289CS..Hα-helixtrans-65-42.5174.1-72.2174.3169.1-174.20111.7T239 L243 G244 T245 Y258 F259 V260 L264 L265 L266T239-K262 HydrophobicContact CG2-CB 3.95Å; L243-K262 HydrophobicContact CB-CD 4.25Å; L243-K262 VanDerWaalsContact O-CD 3.31Å; L243-K262 WeakPolarHBondContact O-CD 3.31Å; L243-K262 PolarHBondContact O-NZ 2.9Å; G244-K262 PolarHBondContact O-NZ 2.6Å; T245-K262 HydrophobicContact CG2-CD 3.86Å; Y258-K262 WeakPolarHBondContact O-CG 3.35Å; Y258-K262 PolarHBondContact O-N 2.65Å; Y258-K262 VanDerWaalsContact O-N 3.08Å; F259-K262 PolarHBondContact O-N 3.09Å; V260-K262 PolarHBondContact O-N 3.26Å; K262-L264 VanDerWaalsContact C-N 3.35Å; K262-L264 PolarHBondContact O-N 3.36Å; K262-L265 WeakPolarHBondContact O-CB 3.33Å; K262-L265 PolarHBondContact O-N 3.11Å; K262-L266 PolarHBondContact O-N 3.14Å
263T96.1Very high94.1Very high8 Ų855.1 Ų55.15%0.04928%0.281CS..Hα-helixtrans-64-43.2178.973.50000110.5T236 T239 F259 V260 L265 L266 T267T236-T263 HydrophobicContact CG2-CG2 3.82Å; T239-T263 HydrophobicContact CG2-CG2 3.84Å; T239-T263 WeakPolarHBondContact OG1-CG2 3.46Å; F259-T263 HydrophobicContact CD1-CG2 3.94Å; F259-T263 HydrophobicContact CD2-CG2 4.44Å; F259-T263 HydrophobicContact CE1-CG2 3.72Å; F259-T263 HydrophobicContact CE2-CG2 4.24Å; F259-T263 HydrophobicContact CG-CG2 4.29Å; F259-T263 HydrophobicContact CZ-CG2 3.89Å; F259-T263 WeakPolarHBondContact O-CG2 3.14Å; F259-T263 PolarHBondContact O-N 3.11Å; V260-T263 WeakPolarHBondContact CA-OG1 3.45Å; V260-T263 PolarHBondContact O-N 3.17Å; V260-T263 PolarHBondContact O-OG1 3.4Å; T263-L265 VanDerWaalsContact C-N 3.33Å; T263-L265 PolarHBondContact O-N 3.31Å; T263-L266 PolarHBondContact O-N 2.82Å; T263-T267 WeakPolarHBondContact O-CG2 3.45Å; T263-T267 PolarHBondContact O-N 3.29Å
264L95.7Very high94.1Very high100 Ų10052.6 Ų52.652%0.52427%0.266SS..Hα-helixtrans-61.6-40.1175.4-72.7172.9000111.9V260 T261 K262 T267 S268V260-L264 HydrophobicContact CG1-CD1 3.91Å; V260-L264 HydrophobicContact CG1-CG 4.26Å; V260-L264 WeakPolarHBondContact O-CB 3.42Å; V260-L264 VanDerWaalsContact O-CG 3.25Å; V260-L264 WeakPolarHBondContact O-CG 3.37Å; V260-L264 PolarHBondContact O-N 2.98Å; T261-L264 PolarHBondContact O-N 3.39Å; K262-L264 VanDerWaalsContact C-N 3.35Å; K262-L264 PolarHBondContact O-N 3.36Å; L264-T267 WeakPolarHBondContact CA-OG1 3.43Å; L264-T267 PolarHBondContact O-N 2.84Å; L264-T267 PolarHBondContact O-OG1 2.99Å; L264-S268 PolarHBondContact O-N 3.11Å
265L96.1Very high94Very high101 Ų10150.4 Ų50.453%0.52926%0.256SS..Hα-helixtrans-60.8-47.2174.6-169.2156.7000111.1T261 K262 T263 T267 S268 L269T261-L265 PolarHBondContact O-N 3.3Å; K262-L265 WeakPolarHBondContact O-CB 3.33Å; K262-L265 PolarHBondContact O-N 3.11Å; T263-L265 VanDerWaalsContact C-N 3.33Å; T263-L265 PolarHBondContact O-N 3.31Å; L265-T267 PolarHBondContact O-N 3.49Å; L265-S268 WeakPolarHBondContact O-CB 3.46Å; L265-S268 PolarHBondContact O-N 3.13Å; L265-S268 VanDerWaalsContact O-N 3.14Å; L265-S268 PolarHBondContact O-OG 3.44Å; L265-L269 HydrophobicContact CD2-CD1 3.79Å; L265-L269 HydrophobicContact CD2-CG 4.2Å; L265-L269 PolarHBondContact O-N 3.36Å
266L95.8Very high93.9Very high18 Ų1853 Ų539%0.09428%0.278CS..Hα-helixtrans-63.8-39.8176.6-67-174.1000112.6F186 N235 T238 T239 L243 K262 T263 S268 L269 F270F186-L266 HydrophobicContact CE2-CD2 4.36Å; N235-L266 HydrophobicContact CB-CB 4.3Å; N235-L266 WeakPolarHBondContact OD1-CB 3.41Å; T238-L266 WeakPolarHBondContact OG1-CD1 3.41Å; T239-L266 HydrophobicContact CG2-CD1 3.45Å; T239-L266 VanDerWaalsContact CG2-CD1 3.45Å; T239-L266 HydrophobicContact CG2-CG 4.21Å; L243-L266 HydrophobicContact CD1-CD1 4.25Å; L243-L266 HydrophobicContact CD1-CD2 4.38Å; K262-L266 PolarHBondContact O-N 3.14Å; T263-L266 PolarHBondContact O-N 2.82Å; L266-S268 VanDerWaalsContact C-N 3.28Å; L266-S268 PolarHBondContact O-N 2.78Å; L266-L269 HydrophobicContact CD2-CD1 3.92Å; L266-L269 WeakPolarHBondContact O-CB 3.43Å; L266-L269 PolarHBondContact O-N 3.46Å; L266-L269 VanDerWaalsContact O-N 3.1Å; L266-F270 PolarHBondContact O-N 3.4Å
267T95.2Very high93.8Very high9 Ų958 Ų586%0.05529%0.293CS..Hα-helixtrans-62.5-36.1173.463.80000111.8N235 T263 L264 L265 L269 F270 L271N235-T267 HydrophobicContact CB-CG2 3.78Å; T263-T267 WeakPolarHBondContact O-CG2 3.45Å; T263-T267 PolarHBondContact O-N 3.29Å; L264-T267 WeakPolarHBondContact CA-OG1 3.43Å; L264-T267 PolarHBondContact O-N 2.84Å; L264-T267 PolarHBondContact O-OG1 2.99Å; L265-T267 PolarHBondContact O-N 3.49Å; T267-L269 VanDerWaalsContact C-N 3.32Å; T267-L269 PolarHBondContact O-N 3.19Å; T267-F270 WeakPolarHBondContact O-CB 3.44Å; T267-F270 PolarHBondContact O-N 3.37Å; T267-L271 WeakPolarHBondContact O-CG 3.45Å; T267-L271 PolarHBondContact O-N 3.4Å; T267-L271 VanDerWaalsContact O-N 3.08Å
268S93.6Very high93.5Very high43 Ų4359.6 Ų59.630%0.30131%0.305SS..Hα-helixtrans-67.1-33.4174.478.40000112.3L264 L265 L266 L271 W272L264-S268 PolarHBondContact O-N 3.11Å; L265-S268 WeakPolarHBondContact O-CB 3.46Å; L265-S268 PolarHBondContact O-N 3.13Å; L265-S268 VanDerWaalsContact O-N 3.14Å; L265-S268 PolarHBondContact O-OG 3.44Å; L266-S268 VanDerWaalsContact C-N 3.28Å; L266-S268 PolarHBondContact O-N 2.78Å; S268-L271 PolarHBondContact O-N 2.8Å; S268-W272 WeakPolarHBondContact O-CB 3.4Å; S268-W272 PolarHBondContact O-N 3.12Å
269L94.8Very high93.2Very high56 Ų5657.5 Ų57.529%0.29330%0.296SS..Hα-helixtrans-66-40.4171.5-70.5172000111.7F186 L265 L266 T267 L271 W272 I273F186-L269 HydrophobicContact CZ-CB 4.15Å; L265-L269 HydrophobicContact CD2-CD1 3.79Å; L265-L269 HydrophobicContact CD2-CG 4.2Å; L265-L269 PolarHBondContact O-N 3.36Å; L266-L269 HydrophobicContact CD2-CD1 3.92Å; L266-L269 WeakPolarHBondContact O-CB 3.43Å; L266-L269 PolarHBondContact O-N 3.46Å; L266-L269 VanDerWaalsContact O-N 3.1Å; T267-L269 VanDerWaalsContact C-N 3.32Å; T267-L269 PolarHBondContact O-N 3.19Å; L269-L271 VanDerWaalsContact C-N 3.32Å; L269-L271 PolarHBondContact O-N 2.84Å; L269-W272 HydrophobicContact CD2-CE3 3.89Å; L269-W272 HydrophobicContact CD2-CZ3 4.31Å; L269-W272 PolarHBondContact O-N 2.92Å; L269-I273 VanDerWaalsContact O-CG1 3.31Å; L269-I273 WeakPolarHBondContact O-CG1 3.17Å; L269-I273 PolarHBondContact O-N 2.87Å
270F93.4Very high92.8Very high10 Ų1061.1 Ų61.14%0.04431%0.312CS..Hα-helixtrans-55.9-47.4171.7-94.444.5000111.4F186 L190 I231 N235 L266 T267 W272 I273 R274F186-F270 AromaticContact CD2-CE1 3.95Å; F186-F270 HydrophobicContact CD2-CE1 3.95Å; F186-F270 HydrophobicContact CE1-CD1 4.49Å; F186-F270 HydrophobicContact CE1-CE1 4.38Å; F186-F270 AromaticContact CE2-CD1 3.63Å; F186-F270 HydrophobicContact CE2-CD1 3.63Å; F186-F270 AromaticContact CE2-CE1 3.34Å; F186-F270 HydrophobicContact CE2-CE1 3.34Å; F186-F270 AromaticContact CZ-CD1 3.53Å; F186-F270 HydrophobicContact CZ-CD1 3.53Å; F186-F270 AromaticContact CZ-CE1 3.59Å; F186-F270 HydrophobicContact CZ-CE1 3.59Å; L190-F270 HydrophobicContact CD2-CB 4.45Å; L190-F270 HydrophobicContact CD2-CD1 3.75Å; L190-F270 HydrophobicContact CD2-CD2 3.72Å; L190-F270 HydrophobicContact CD2-CE1 3.78Å; L190-F270 HydrophobicContact CD2-CE2 3.79Å; L190-F270 HydrophobicContact CD2-CG 3.7Å; L190-F270 HydrophobicContact CD2-CZ 3.81Å; L190-F270 HydrophobicContact CG-CD1 4.2Å; L190-F270 HydrophobicContact CG-CE1 3.77Å; L190-F270 HydrophobicContact CG-CE2 4.23Å; L190-F270 HydrophobicContact CG-CZ 3.79Å; I231-F270 HydrophobicContact CG2-CD2 3.83Å; I231-F270 HydrophobicContact CG2-CE2 4.34Å; N235-F270 WeakPolarHBondContact OD1-CD1 3.2Å; N235-F270 VanDerWaalsContact OD1-CE1 3.27Å; N235-F270 WeakPolarHBondContact OD1-CE1 3.37Å; L266-F270 PolarHBondContact O-N 3.4Å; T267-F270 WeakPolarHBondContact O-CB 3.44Å; T267-F270 PolarHBondContact O-N 3.37Å; F270-W272 VanDerWaalsContact C-N 3.31Å; F270-W272 PolarHBondContact O-N 2.79Å; F270-I273 PolarHBondContact O-N 2.9Å; F270-R274 PolarHBondContact O-N 2.89Å
271L93.2Very high92.4Very high15 Ų1564.8 Ų64.88%0.07932%0.319CS..Hα-helixtrans-64.3-36.7177.9-63.7178.6000112.3E24 F27 T267 S268 L269 T275E24-L271 HydrophobicContact CB-CD1 4.44Å; E24-L271 HydrophobicContact CB-CD2 3.68Å; E24-L271 HydrophobicContact CG-CD2 3.71Å; F27-L271 HydrophobicContact CB-CD1 4.28Å; F27-L271 HydrophobicContact CD1-CB 3.85Å; F27-L271 HydrophobicContact CE1-CB 4.28Å; F27-L271 HydrophobicContact CG-CB 4.23Å; F27-L271 HydrophobicContact CG-CD1 4.48Å; T267-L271 WeakPolarHBondContact O-CG 3.45Å; T267-L271 PolarHBondContact O-N 3.4Å; T267-L271 VanDerWaalsContact O-N 3.08Å; S268-L271 PolarHBondContact O-N 2.8Å; L269-L271 VanDerWaalsContact C-N 3.32Å; L269-L271 PolarHBondContact O-N 2.84Å; L271-T275 PolarHBondContact O-N 3.37Å
272W93.9Very high91.9Very high126 Ų12663.7 Ų63.748%0.47731%0.306SS..Hα-helixtrans-68.8-43.6177.1-179.146.7000112.9F27 S268 L269 F270 R274 T275 A276F27-W272 HydrophobicContact CE1-CB 3.8Å; F27-W272 HydrophobicContact CZ-CB 4.06Å; S268-W272 WeakPolarHBondContact O-CB 3.4Å; S268-W272 PolarHBondContact O-N 3.12Å; L269-W272 HydrophobicContact CD2-CE3 3.89Å; L269-W272 HydrophobicContact CD2-CZ3 4.31Å; L269-W272 PolarHBondContact O-N 2.92Å; F270-W272 VanDerWaalsContact C-N 3.31Å; F270-W272 PolarHBondContact O-N 2.79Å; W272-R274 VanDerWaalsContact C-N 3.25Å; W272-R274 PolarHBondContact O-N 3.27Å; W272-T275 WeakPolarHBondContact O-CA 3.4Å; W272-T275 PolarHBondContact O-N 2.87Å; W272-T275 PolarHBondContact O-OG1 3.02Å; W272-A276 PolarHBondContact O-N 3.33Å
273I93.4Very high91.5Very high23 Ų2365.9 Ų65.912%0.11832%0.319CS..Hα-helixtrans-59-41.1177.2-73.7167.9000110.9F186 L190 L269 F270 T275 A276 Y277F186-I273 HydrophobicContact CE1-CD1 3.4Å; F186-I273 VanDerWaalsContact CE1-CD1 3.4Å; F186-I273 HydrophobicContact CZ-CD1 3.94Å; L190-I273 HydrophobicContact CD1-CD1 3.89Å; L190-I273 HydrophobicContact CD1-CG2 4.18Å; L190-I273 HydrophobicContact CD2-CG2 4.5Å; L269-I273 VanDerWaalsContact O-CG1 3.31Å; L269-I273 WeakPolarHBondContact O-CG1 3.17Å; L269-I273 PolarHBondContact O-N 2.87Å; F270-I273 PolarHBondContact O-N 2.9Å; I273-T275 VanDerWaalsContact C-N 3.27Å; I273-T275 PolarHBondContact O-N 3.23Å; I273-A276 PolarHBondContact O-N 3.47Å; I273-A276 VanDerWaalsContact O-N 3.16Å; I273-Y277 HydrophobicContact CB-CD2 4.4Å; I273-Y277 HydrophobicContact CG1-CE2 4.39Å; I273-Y277 HydrophobicContact CG2-CD2 3.88Å; I273-Y277 HydrophobicContact CG2-CE2 4.41Å; I273-Y277 PolarHBondContact O-N 3.14Å; I273-Y277 VanDerWaalsContact O-N 3.13Å
274R89.6Confident91.2Very high73 Ų7370.2 Ų70.228%0.27534%0.339SS..Hα-helixtrans-57.4-37.5172.6168.1160.9-170.3-177.6-2.2113.4E24 L28 T196 F270 W272E24-R274 VanDerWaalsContact CD-NH1 3.32Å; E24-R274 IonicContact OE1-CZ 3.67Å; E24-R274 IonicContact OE1-NH1 2.8Å; E24-R274 PolarHBondContact OE1-NH1 3.45Å; E24-R274 IonicContact OE1-NH2 3.5Å; E24-R274 IonicContact OE2-NH1 2.68Å; L28-R274 HydrophobicContact CD2-CG 4.2Å; T196-R274 WeakPolarHBondContact OG1-CA 3.42Å; T196-R274 WeakPolarHBondContact OG1-CB 3.39Å; T196-R274 WeakPolarHBondContact OG1-CD 3.49Å; T196-R274 WeakPolarHBondContact OG1-CG 3.46Å; F270-R274 PolarHBondContact O-N 2.89Å; W272-R274 VanDerWaalsContact C-N 3.25Å; W272-R274 PolarHBondContact O-N 3.27Å
275T89.3Confident90.9Very high41 Ų4165.4 Ų65.425%0.25231%0.314SS..Hα-helixtrans-76.3-26.3178.457.80000113.5L28 M31 L271 W272 I273L28-T275 HydrophobicContact CD2-CG2 3.35Å; L28-T275 HydrophobicContact CG-CG2 4.07Å; M31-T275 HydrophobicContact CB-CG2 3.81Å; M31-T275 HydrophobicContact CG-CG2 4.04Å; L271-T275 PolarHBondContact O-N 3.37Å; W272-T275 WeakPolarHBondContact O-CA 3.4Å; W272-T275 PolarHBondContact O-N 2.87Å; W272-T275 PolarHBondContact O-OG1 3.02Å; I273-T275 VanDerWaalsContact C-N 3.27Å; I273-T275 PolarHBondContact O-N 3.23Å
276A90.6Very high90.6Very high56 Ų5662.7 Ų62.746%0.46330%0.299SS..Hα-helixtrans-94.3-34.3-16800000113.8W272 I273W272-A276 PolarHBondContact O-N 3.33Å; I273-A276 PolarHBondContact O-N 3.47Å; I273-A276 VanDerWaalsContact O-N 3.16Å
277Y90.4Very high90.5Very high148 Ų14866 Ų6658%0.5831%0.314SS*.  trans-109.4143.3-169-66.5-74.9000113.9I273I273-Y277 HydrophobicContact CB-CD2 4.4Å; I273-Y277 HydrophobicContact CG1-CE2 4.39Å; I273-Y277 HydrophobicContact CG2-CD2 3.88Å; I273-Y277 HydrophobicContact CG2-CE2 4.41Å; I273-Y277 PolarHBondContact O-N 3.14Å; I273-Y277 VanDerWaalsContact O-N 3.13Å
278P88.1Confident90.4Very high104 Ų10467.3 Ų67.368%0.67532%0.32SS*.PPolyproline II helixtrans-71.9161.9169.132.3-34.7000111.2P197P197-P278 WeakPolarHBondContact CB-O 3.47Å
279R87Confident90.3Very high89 Ų8965.3 Ų65.334%0.33631%0.306SS..PPolyproline II helixtrans-66.2142174.6-70.8-179.8172.3154.6-3.8111.3T196 P197 D199T196-R279 HydrophobicContact CG2-CG 4.24Å; P197-R279 WeakPolarHBondContact O-CA 3.47Å; D199-R279 IonicContact OD2-CZ 3.41Å; D199-R279 IonicContact OD2-NE 3.53Å; D199-R279 IonicContact OD2-NH2 2.75Å; D199-R279 PolarHBondContact OD2-NH2 3.39Å
280F86Confident90.3Very high77 Ų7768.5 Ų68.534%0.33831%0.314SS..PPolyproline II helixtrans-77.5153.4169.3-81.9-80000111.2P197 F198 L200 Q284P197-F280 HydrophobicContact CB-CD2 3.65Å; P197-F280 HydrophobicContact CB-CE2 3.9Å; P197-F280 HydrophobicContact CG-CD2 3.84Å; P197-F280 HydrophobicContact CG-CE2 3.77Å; P197-F280 PolarHBondContact O-N 3.32Å; F198-F280 HydrophobicContact CD1-CB 4.41Å; F198-F280 AromaticContact CD1-CD2 3.76Å; F198-F280 HydrophobicContact CD1-CD2 3.76Å; F198-F280 HydrophobicContact CD1-CE2 4.5Å; F198-F280 HydrophobicContact CD1-CG 4.35Å; F198-F280 AromaticContact CE1-CD2 3.38Å; F198-F280 HydrophobicContact CE1-CD2 3.38Å; F198-F280 AromaticContact CE1-CE2 3.72Å; F198-F280 HydrophobicContact CE1-CE2 3.72Å; F198-F280 HydrophobicContact CE1-CG 4.09Å; F198-F280 HydrophobicContact CZ-CD2 4.14Å; F198-F280 HydrophobicContact CZ-CE2 4.07Å; L200-F280 WeakPolarHBondContact CD2-O 3.17Å; F280-Q284 HydrophobicContact CD1-CB 4.05Å
281R86.3Confident90.3Very high140 Ų14074.5 Ų74.553%0.52834%0.341SS..PPolyproline II helixtrans-78148.6163.2-164173.880.4-155.13.6109.9D283 Q284 L285R281-D283 VanDerWaalsContact C-N 3.3Å; R281-D283 IonicContact CZ-OD2 3.19Å; R281-D283 IonicContact NE-OD2 2.84Å; R281-D283 PolarHBondContact NE-OD2 2.91Å; R281-D283 IonicContact NH2-OD2 2.8Å; R281-D283 PolarHBondContact NH2-OD2 3Å; R281-D283 PolarHBondContact O-N 3.42Å; R281-Q284 HydrophobicContact CB-CG 4.2Å; R281-Q284 WeakPolarHBondContact O-CB 3.47Å; R281-Q284 PolarHBondContact O-N 2.89Å; R281-L285 PolarHBondContact O-N 3.49Å
282Y84.8Confident90.3Very high60 Ų6077.6 Ų77.624%0.23536%0.357CS..Hα-helixtrans-49.7-45.8176.8178.2-94.2000113.5R134 A137 L200 Q284 L285 M286R134-Y282 HydrophobicContact CB-CD2 4.48Å; R134-Y282 HydrophobicContact CB-CE2 4.49Å; R134-Y282 HydrophobicContact CG-CD2 4.39Å; A137-Y282 HydrophobicContact CB-CE2 4.22Å; A137-Y282 WeakPolarHBondContact CB-OH 3.43Å; L200-Y282 HydrophobicContact CD1-CD2 3.78Å; L200-Y282 HydrophobicContact CD1-CG 4.33Å; Y282-Q284 VanDerWaalsContact C-N 3.31Å; Y282-Q284 PolarHBondContact O-N 2.91Å; Y282-L285 WeakPolarHBondContact O-CB 3.32Å; Y282-L285 PolarHBondContact O-N 2.85Å; Y282-M286 HydrophobicContact CD1-CG 4.31Å; Y282-M286 HydrophobicContact CE1-CG 3.85Å; Y282-M286 HydrophobicContact CE2-CG 4.27Å; Y282-M286 HydrophobicContact CE2-SD 4.43Å; Y282-M286 WeakPolarHBondContact O-CG 3.38Å; Y282-M286 PolarHBondContact O-N 3.33Å
283D87.3Confident90.3Very high86 Ų8672.4 Ų72.446%0.4634%0.338SS..Hα-helixtrans-65.2-35.3179.9-44-35.5000113R281 L285 M286 H287R281-D283 VanDerWaalsContact C-N 3.3Å; R281-D283 IonicContact CZ-OD2 3.19Å; R281-D283 IonicContact NE-OD2 2.84Å; R281-D283 PolarHBondContact NE-OD2 2.91Å; R281-D283 IonicContact NH2-OD2 2.8Å; R281-D283 PolarHBondContact NH2-OD2 3Å; R281-D283 PolarHBondContact O-N 3.42Å; D283-L285 VanDerWaalsContact C-N 3.34Å; D283-M286 PolarHBondContact O-N 2.95Å; D283-H287 WeakPolarHBondContact O-CB 3.32Å; D283-H287 PolarHBondContact O-N 3.29Å
284Q90.5Very high90.4Very high99 Ų9973.1 Ų73.146%0.46334%0.342SS..Hα-helixtrans-69.2-38.8179.5-66.8173.4-22.800110.4F280 R281 Y282 H287 L288F280-Q284 HydrophobicContact CD1-CB 4.05Å; R281-Q284 HydrophobicContact CB-CG 4.2Å; R281-Q284 WeakPolarHBondContact O-CB 3.47Å; R281-Q284 PolarHBondContact O-N 2.89Å; Y282-Q284 VanDerWaalsContact C-N 3.31Å; Y282-Q284 PolarHBondContact O-N 2.91Å; Q284-H287 PolarHBondContact O-N 3.47Å; Q284-L288 WeakPolarHBondContact O-CB 3.5Å; Q284-L288 PolarHBondContact O-N 3.35Å
285L88.8Confident90.7Very high0 Ų072.7 Ų72.70%035%0.349CS..Hα-helixtrans-59.1-50.1172.6180152.7000110.8Q138 Y142 F198 L200 R281 Y282 D283 H287 L288 L289Q138-L285 HydrophobicContact CG-CD1 4.09Å; Q138-L285 HydrophobicContact CG-CD2 4.29Å; Y142-L285 HydrophobicContact CE2-CD1 3.85Å; Y142-L285 HydrophobicContact CE2-CD2 3.64Å; Y142-L285 HydrophobicContact CE2-CG 3.96Å; Y142-L285 WeakPolarHBondContact OH-CD1 3.36Å; Y142-L285 WeakPolarHBondContact OH-CG 3.37Å; F198-L285 HydrophobicContact CB-CD1 3.95Å; F198-L285 HydrophobicContact CD1-CD1 3.64Å; F198-L285 HydrophobicContact CD1-CG 4.23Å; F198-L285 HydrophobicContact CG-CD1 4.16Å; L200-L285 HydrophobicContact CD1-CB 4.28Å; L200-L285 HydrophobicContact CD1-CD1 3.56Å; L200-L285 HydrophobicContact CD1-CG 4.39Å; L200-L285 HydrophobicContact CG-CD1 4.29Å; R281-L285 PolarHBondContact O-N 3.49Å; Y282-L285 WeakPolarHBondContact O-CB 3.32Å; Y282-L285 PolarHBondContact O-N 2.85Å; D283-L285 VanDerWaalsContact C-N 3.34Å; L285-H287 VanDerWaalsContact C-N 3.31Å; L285-H287 PolarHBondContact O-N 2.91Å; L285-L288 WeakPolarHBondContact O-CB 3.07Å; L285-L288 PolarHBondContact O-N 3.49Å; L285-L289 HydrophobicContact CD2-CD1 3.84Å; L285-L289 PolarHBondContact O-N 2.98Å; L285-L289 VanDerWaalsContact O-N 3.12Å
286M90.9Very high91.1Very high43 Ų4374.9 Ų74.921%0.21236%0.358CS..Hα-helixtrans-63.8-38.6179.2-65.4-59.6-79.100111.4Y282 D283 L289 W290Y282-M286 HydrophobicContact CD1-CG 4.31Å; Y282-M286 HydrophobicContact CE1-CG 3.85Å; Y282-M286 HydrophobicContact CE2-CG 4.27Å; Y282-M286 HydrophobicContact CE2-SD 4.43Å; Y282-M286 WeakPolarHBondContact O-CG 3.38Å; Y282-M286 PolarHBondContact O-N 3.33Å; D283-M286 PolarHBondContact O-N 2.95Å; M286-L289 PolarHBondContact O-N 3.39Å; M286-W290 WeakPolarHBondContact O-CB 3.25Å; M286-W290 VanDerWaalsContact O-CD1 3.25Å; M286-W290 PolarHBondContact O-N 3.32Å
287H92.9Very high91.3Very high89 Ų8972.2 Ų72.241%0.41234%0.336SS..Hα-helixtrans-63.4-42.9174.4-170.8-59.9000112.1D283 Q284 L285 L289 K291 N292D283-H287 WeakPolarHBondContact O-CB 3.32Å; D283-H287 PolarHBondContact O-N 3.29Å; Q284-H287 PolarHBondContact O-N 3.47Å; L285-H287 VanDerWaalsContact C-N 3.31Å; L285-H287 PolarHBondContact O-N 2.91Å; H287-L289 VanDerWaalsContact C-N 3.32Å; H287-L289 PolarHBondContact O-N 2.77Å; H287-K291 VanDerWaalsContact NE2-CD 3.3Å; H287-K291 WeakPolarHBondContact NE2-CD 3.46Å; H287-K291 WeakPolarHBondContact O-CB 3.33Å; H287-K291 PolarHBondContact O-N 2.78Å; H287-N292 PolarHBondContact O-N 3.49Å
288L93.2Very high91.6Very high35 Ų3569 Ų6918%0.18333%0.329CS..Iπ-helixtrans-56.7-48.7178-179.972.1000110.4I187 F198 Q284 L285 N292 F293I187-L288 HydrophobicContact CG2-CD2 4.38Å; F198-L288 HydrophobicContact CE1-CD2 4.04Å; F198-L288 HydrophobicContact CZ-CD2 4.03Å; Q284-L288 WeakPolarHBondContact O-CB 3.5Å; Q284-L288 PolarHBondContact O-N 3.35Å; L285-L288 WeakPolarHBondContact O-CB 3.07Å; L285-L288 PolarHBondContact O-N 3.49Å; L288-N292 WeakPolarHBondContact O-CA 3.44Å; L288-N292 VanDerWaalsContact O-CB 3.22Å; L288-N292 WeakPolarHBondContact O-CB 3.17Å; L288-N292 PolarHBondContact O-N 3.2Å; L288-N292 VanDerWaalsContact O-N 3.17Å; L288-F293 HydrophobicContact CD1-CE1 4.01Å; L288-F293 HydrophobicContact CD1-CZ 4.26Å; L288-F293 HydrophobicContact CD2-CE2 4.32Å; L288-F293 HydrophobicContact CD2-CZ 4.15Å; L288-F293 HydrophobicContact CG-CE1 4.23Å; L288-F293 HydrophobicContact CG-CE2 4.38Å; L288-F293 HydrophobicContact CG-CZ 4.14Å; L288-F293 PolarHBondContact O-N 2.84Å
289L91.9Very high92Very high2 Ų267 Ų671%0.0132%0.321CS..Iπ-helixtrans-70.9-54.5-177.2-77.8165000113.4S141 Y142 T145 L285 M286 H287 F293 L294S141-L289 WeakPolarHBondContact OG-CD1 3.17Å; Y142-L289 HydrophobicContact CD1-CD1 3.45Å; Y142-L289 VanDerWaalsContact CD1-CD1 3.45Å; Y142-L289 HydrophobicContact CD1-CD2 3.11Å; Y142-L289 HydrophobicContact CD1-CG 3.7Å; Y142-L289 HydrophobicContact CD2-CD1 3.6Å; Y142-L289 HydrophobicContact CE1-CD1 3.23Å; Y142-L289 HydrophobicContact CE1-CD2 3.15Å; Y142-L289 HydrophobicContact CE1-CG 3.34Å; Y142-L289 HydrophobicContact CE2-CD1 3.35Å; Y142-L289 HydrophobicContact CE2-CG 4.37Å; Y142-L289 HydrophobicContact CG-CD1 3.62Å; Y142-L289 HydrophobicContact CG-CD2 3.99Å; Y142-L289 HydrophobicContact CG-CG 4.34Å; T145-L289 HydrophobicContact CG2-CD2 4.03Å; L285-L289 HydrophobicContact CD2-CD1 3.84Å; L285-L289 PolarHBondContact O-N 2.98Å; L285-L289 VanDerWaalsContact O-N 3.12Å; M286-L289 PolarHBondContact O-N 3.39Å; H287-L289 VanDerWaalsContact C-N 3.32Å; H287-L289 PolarHBondContact O-N 2.77Å; L289-F293 HydrophobicContact CD2-CB 4.5Å; L289-F293 HydrophobicContact CD2-CD2 3.76Å; L289-F293 PolarHBondContact O-N 2.92Å; L289-L294 WeakPolarHBondContact O-CB 3.43Å; L289-L294 PolarHBondContact O-N 3.17Å
290W94.3Very high92.4Very high122 Ų12263.9 Ų63.946%0.46231%0.311SS..Iπ-helixtrans-76.4-34.3-170-74.795.4000113M286 L294M286-W290 WeakPolarHBondContact O-CB 3.25Å; M286-W290 VanDerWaalsContact O-CD1 3.25Å; M286-W290 PolarHBondContact O-N 3.32Å; W290-L294 HydrophobicContact CE3-CD1 4.49Å; W290-L294 HydrophobicContact CZ3-CD1 4.45Å
291K93.3Very high93Very high137 Ų13761.7 Ų61.760%0.59630%0.302SS*.Iπ-helixtrans-103.8-23.8-174.7-62.6-178.5-179.4-177.80113.8H287 P295H287-K291 VanDerWaalsContact NE2-CD 3.3Å; H287-K291 WeakPolarHBondContact NE2-CD 3.46Å; H287-K291 WeakPolarHBondContact O-CB 3.33Å; H287-K291 PolarHBondContact O-N 2.78Å; K291-P295 WeakPolarHBondContact O-CG 3.44Å
292N94.4Very high93.5Very high80 Ų8061.1 Ų61.143%0.42831%0.307SS..Iπ-helixtrans-104.6-58.5178.4-52.6-10.4000111.2H287 L288 L296H287-N292 PolarHBondContact O-N 3.49Å; L288-N292 WeakPolarHBondContact O-CA 3.44Å; L288-N292 VanDerWaalsContact O-CB 3.22Å; L288-N292 WeakPolarHBondContact O-CB 3.17Å; L288-N292 PolarHBondContact O-N 3.2Å; L288-N292 VanDerWaalsContact O-N 3.17Å; N292-L296 WeakPolarHBondContact O-CB 3.3Å; N292-L296 PolarHBondContact O-N 2.91Å
293F94.2Very high94Very high17 Ų1765.2 Ų65.28%0.07532%0.322CS..Iπ-helixtrans-71-46.6-174.3-72.10000112.7T145 M184 I187 L288 L289 L296 T297T145-F293 HydrophobicContact CG2-CB 4.06Å; M184-F293 HydrophobicContact CG-CD1 4.14Å; M184-F293 HydrophobicContact CG-CE1 4.12Å; M184-F293 HydrophobicContact CG-CG 4.49Å; M184-F293 HydrophobicContact CG-CZ 4.45Å; M184-F293 HydrophobicContact SD-CB 4.46Å; M184-F293 HydrophobicContact SD-CD1 4.09Å; M184-F293 HydrophobicContact SD-CG 4.32Å; I187-F293 HydrophobicContact CB-CE2 3.94Å; I187-F293 HydrophobicContact CB-CZ 3.89Å; I187-F293 HydrophobicContact CD1-CZ 3.76Å; I187-F293 HydrophobicContact CG1-CZ 4.44Å; I187-F293 HydrophobicContact CG2-CE2 3.68Å; I187-F293 HydrophobicContact CG2-CZ 3.68Å; L288-F293 HydrophobicContact CD1-CE1 4.01Å; L288-F293 HydrophobicContact CD1-CZ 4.26Å; L288-F293 HydrophobicContact CD2-CE2 4.32Å; L288-F293 HydrophobicContact CD2-CZ 4.15Å; L288-F293 HydrophobicContact CG-CE1 4.23Å; L288-F293 HydrophobicContact CG-CE2 4.38Å; L288-F293 HydrophobicContact CG-CZ 4.14Å; L288-F293 PolarHBondContact O-N 2.84Å; L289-F293 HydrophobicContact CD2-CB 4.5Å; L289-F293 HydrophobicContact CD2-CD2 3.76Å; L289-F293 PolarHBondContact O-N 2.92Å; F293-L296 PolarHBondContact O-N 3.4Å; F293-T297 WeakPolarHBondContact O-CB 3.23Å; F293-T297 VanDerWaalsContact O-CG2 3.23Å; F293-T297 WeakPolarHBondContact O-CG2 3.36Å; F293-T297 PolarHBondContact O-N 3.07Å; F293-T297 PolarHBondContact O-OG1 3.45Å
294L94.4Very high94.3Very high37 Ų3761.4 Ų61.419%0.19430%0.301CS..Hα-helixtrans-59.9-47.9-175.6-174.3120.8000112.9V144 T145 L289 W290 L296 T297 L298V144-L294 HydrophobicContact CG1-CD1 3.71Å; T145-L294 HydrophobicContact CG2-CB 4.42Å; L289-L294 WeakPolarHBondContact O-CB 3.43Å; L289-L294 PolarHBondContact O-N 3.17Å; W290-L294 HydrophobicContact CE3-CD1 4.49Å; W290-L294 HydrophobicContact CZ3-CD1 4.45Å; L294-L296 VanDerWaalsContact C-N 3.34Å; L294-L296 PolarHBondContact O-N 3Å; L294-T297 WeakPolarHBondContact CA-OG1 3.44Å; L294-T297 PolarHBondContact O-N 2.94Å; L294-T297 PolarHBondContact O-OG1 3.27Å; L294-L298 HydrophobicContact CD2-CD1 4.04Å; L294-L298 HydrophobicContact CG-CD1 4.22Å; L294-L298 WeakPolarHBondContact O-CB 3.39Å; L294-L298 WeakPolarHBondContact O-CG 3.22Å; L294-L298 PolarHBondContact O-N 3.19Å; L294-L298 VanDerWaalsContact O-N 3.07Å
295P96.5Very high94.6Very high65 Ų6559.8 Ų59.842%0.42230%0.298SS..Hα-helixtrans-62.4-39.3175.7-24.336.5000113.2K291 A299K291-P295 WeakPolarHBondContact O-CG 3.44Å; P295-A299 WeakPolarHBondContact O-CB 3.23Å; P295-A299 PolarHBondContact O-N 3.5Å
296L96.6Very high94.9Very high86 Ų8662.1 Ų62.145%0.4532%0.315SS..Hα-helixtrans-70.2-43.4-179.3-174.662.1000112M184 N292 F293 L294 L298 A299 L300M184-L296 HydrophobicContact CE-CD2 4.12Å; M184-L296 HydrophobicContact CE-CG 4.11Å; M184-L296 HydrophobicContact SD-CB 4.21Å; M184-L296 HydrophobicContact SD-CD2 3.65Å; M184-L296 HydrophobicContact SD-CG 4.02Å; N292-L296 WeakPolarHBondContact O-CB 3.3Å; N292-L296 PolarHBondContact O-N 2.91Å; F293-L296 PolarHBondContact O-N 3.4Å; L294-L296 VanDerWaalsContact C-N 3.34Å; L294-L296 PolarHBondContact O-N 3Å; L296-L298 VanDerWaalsContact C-N 3.33Å; L296-L298 PolarHBondContact O-N 3.2Å; L296-A299 PolarHBondContact O-N 2.82Å; L296-L300 HydrophobicContact CG-CD1 4.22Å; L296-L300 WeakPolarHBondContact O-CB 3.44Å; L296-L300 WeakPolarHBondContact O-CG 3.38Å; L296-L300 PolarHBondContact O-N 3.32Å
297T96Very high95.1Very high0 Ų061.7 Ų61.70%031%0.313CS..Hα-helixtrans-63.2-38176.654.70000111.8I149 M184 F293 L294 L300 L301I149-T297 HydrophobicContact CD1-CG2 3.85Å; I149-T297 HydrophobicContact CG1-CG2 3.54Å; M184-T297 HydrophobicContact CE-CG2 3.6Å; M184-T297 HydrophobicContact SD-CG2 3.74Å; F293-T297 WeakPolarHBondContact O-CB 3.23Å; F293-T297 VanDerWaalsContact O-CG2 3.23Å; F293-T297 WeakPolarHBondContact O-CG2 3.36Å; F293-T297 PolarHBondContact O-N 3.07Å; F293-T297 PolarHBondContact O-OG1 3.45Å; L294-T297 WeakPolarHBondContact CA-OG1 3.44Å; L294-T297 PolarHBondContact O-N 2.94Å; L294-T297 PolarHBondContact O-OG1 3.27Å; T297-L300 PolarHBondContact O-N 3.28Å; T297-L301 WeakPolarHBondContact O-CB 3.42Å; T297-L301 PolarHBondContact O-N 2.84Å
298L96.1Very high95.1Very high81 Ų8157.9 Ų57.942%0.42430%0.296SS..Hα-helixtrans-66.3-44.2173.2-72.8169.9000112.2I148 L294 L296 L300 L301 M302I148-L298 HydrophobicContact CD1-CD2 4.17Å; L294-L298 HydrophobicContact CD2-CD1 4.04Å; L294-L298 HydrophobicContact CG-CD1 4.22Å; L294-L298 WeakPolarHBondContact O-CB 3.39Å; L294-L298 WeakPolarHBondContact O-CG 3.22Å; L294-L298 PolarHBondContact O-N 3.19Å; L294-L298 VanDerWaalsContact O-N 3.07Å; L296-L298 VanDerWaalsContact C-N 3.33Å; L296-L298 PolarHBondContact O-N 3.2Å; L298-L300 VanDerWaalsContact C-N 3.31Å; L298-L300 PolarHBondContact O-N 3.08Å; L298-L301 PolarHBondContact O-N 3.24Å; L298-M302 WeakPolarHBondContact O-CG 3.5Å; L298-M302 PolarHBondContact O-N 2.81Å; L298-M302 VanDerWaalsContact O-N 3.07Å
299A96.9Very high95.2Very high61 Ų6161.5 Ų61.550%0.50431%0.314SS..Hα-helixtrans-60.4-43.1175.600000111.5P295 L296 M302 W303P295-A299 WeakPolarHBondContact O-CB 3.23Å; P295-A299 PolarHBondContact O-N 3.5Å; L296-A299 PolarHBondContact O-N 2.82Å; A299-M302 PolarHBondContact O-N 3.03Å; A299-W303 PolarHBondContact O-N 3.13Å; A299-W303 VanDerWaalsContact O-N 3.09Å
300L96.1Very high95.3Very high24 Ų2466.6 Ų66.613%0.12635%0.346CS..Hα-helixtrans-66.9-38.4175.4-71172.7000111.8P180 L181 M184 L296 T297 L298 M302 W303 Y304P180-L300 HydrophobicContact CB-CD1 3.95Å; L181-L300 HydrophobicContact CD2-CB 3.96Å; L181-L300 HydrophobicContact CD2-CD1 3.62Å; L181-L300 HydrophobicContact CD2-CG 4.45Å; L181-L300 HydrophobicContact CG-CD1 4.03Å; M184-L300 HydrophobicContact CE-CD1 3.4Å; M184-L300 VanDerWaalsContact CE-CD1 3.4Å; L296-L300 HydrophobicContact CG-CD1 4.22Å; L296-L300 WeakPolarHBondContact O-CB 3.44Å; L296-L300 WeakPolarHBondContact O-CG 3.38Å; L296-L300 PolarHBondContact O-N 3.32Å; T297-L300 PolarHBondContact O-N 3.28Å; L298-L300 VanDerWaalsContact C-N 3.31Å; L298-L300 PolarHBondContact O-N 3.08Å; L300-M302 VanDerWaalsContact C-N 3.31Å; L300-M302 PolarHBondContact O-N 2.83Å; L300-W303 CarbonylContact O-C 3.56Å; L300-W303 WeakPolarHBondContact O-CA 3.41Å; L300-W303 VanDerWaalsContact O-CB 3.31Å; L300-W303 WeakPolarHBondContact O-CB 3.49Å; L300-W303 PolarHBondContact O-N 3.17Å; L300-W303 VanDerWaalsContact O-N 3.07Å; L300-Y304 HydrophobicContact CB-CD2 4.24Å; L300-Y304 HydrophobicContact CB-CE2 4.15Å; L300-Y304 HydrophobicContact CD2-CE2 4.25Å; L300-Y304 WeakPolarHBondContact O-CD2 2.99Å; L300-Y304 PolarHBondContact O-N 3.39Å
301L96.9Very high95.3Very high32 Ų3265.7 Ų65.717%0.16835%0.349CS..Hα-helixtrans-57.7-45.6174.6179.6140.9000111.1I148 L151 T297 L298 W303 Y304 V305I148-L301 HydrophobicContact CG2-CB 4.18Å; I148-L301 HydrophobicContact CG2-CD1 3.86Å; L151-L301 HydrophobicContact CD2-CD1 3.77Å; L151-L301 HydrophobicContact CG-CD1 4.22Å; T297-L301 WeakPolarHBondContact O-CB 3.42Å; T297-L301 PolarHBondContact O-N 2.84Å; L298-L301 PolarHBondContact O-N 3.24Å; L301-W303 VanDerWaalsContact C-N 3.27Å; L301-W303 PolarHBondContact O-N 3.36Å; L301-Y304 PolarHBondContact O-N 3.45Å; L301-V305 HydrophobicContact CD2-CG2 4.27Å; L301-V305 VanDerWaalsContact O-CG2 3.29Å; L301-V305 WeakPolarHBondContact O-CG2 3.44Å; L301-V305 PolarHBondContact O-N 2.88Å
302M96.4Very high95.3Very high128 Ų12864.5 Ų64.563%0.63136%0.358SS*.Hα-helixtrans-61.7-36.9175.6-64.7-59.1-69.400112.3L298 A299 L300 S306L298-M302 WeakPolarHBondContact O-CG 3.5Å; L298-M302 PolarHBondContact O-N 2.81Å; L298-M302 VanDerWaalsContact O-N 3.07Å; A299-M302 PolarHBondContact O-N 3.03Å; L300-M302 VanDerWaalsContact C-N 3.31Å; L300-M302 PolarHBondContact O-N 2.83Å; M302-S306 WeakPolarHBondContact O-CB 3.33Å; M302-S306 PolarHBondContact O-N 3.37Å; M302-S306 VanDerWaalsContact O-N 3.09Å; M302-S306 PolarHBondContact O-OG 3.47Å
303W95.5Very high95.3Very high145 Ų14563.6 Ų63.655%0.54936%0.358SS..Hα-helixtrans-63.4-49.7173177-97.5000112.2A299 L300 L301 V305 S306 M307A299-W303 PolarHBondContact O-N 3.13Å; A299-W303 VanDerWaalsContact O-N 3.09Å; L300-W303 CarbonylContact O-C 3.56Å; L300-W303 WeakPolarHBondContact O-CA 3.41Å; L300-W303 VanDerWaalsContact O-CB 3.31Å; L300-W303 WeakPolarHBondContact O-CB 3.49Å; L300-W303 PolarHBondContact O-N 3.17Å; L300-W303 VanDerWaalsContact O-N 3.07Å; L301-W303 VanDerWaalsContact C-N 3.27Å; L301-W303 PolarHBondContact O-N 3.36Å; W303-V305 VanDerWaalsContact C-N 3.28Å; W303-V305 PolarHBondContact O-N 3.07Å; W303-S306 PolarHBondContact O-N 3.09Å; W303-S306 PolarHBondContact O-OG 3.36Å; W303-S306 VanDerWaalsContact O-OG 3.13Å; W303-M307 HydrophobicContact CZ2-CB 4.46Å; W303-M307 HydrophobicContact CZ2-CG 4.21Å; W303-M307 VanDerWaalsContact O-CB 3.24Å; W303-M307 WeakPolarHBondContact O-CB 3.43Å; W303-M307 PolarHBondContact O-N 3.39Å
304Y95Very high95.2Very high6 Ų668.5 Ų68.52%0.02438%0.383CS..Hα-helixtrans-72.1-18.9-179.1-73-73.5000113.6M156 P177 S178 L181 L300 L301 P308M156-Y304 HydrophobicContact CG-CD1 4.18Å; M156-Y304 HydrophobicContact SD-CD1 3.99Å; M156-Y304 HydrophobicContact SD-CE1 3.77Å; P177-Y304 PolarHBondContact O-OH 3.47Å; S178-Y304 VanDerWaalsContact CA-OH 3.25Å; S178-Y304 WeakPolarHBondContact CA-OH 3.29Å; L181-Y304 HydrophobicContact CD1-CD2 3.57Å; L181-Y304 HydrophobicContact CD1-CE2 3.19Å; L181-Y304 HydrophobicContact CD1-CG 4.45Å; L181-Y304 HydrophobicContact CG-CD2 4.45Å; L181-Y304 HydrophobicContact CG-CE2 3.79Å; L300-Y304 HydrophobicContact CB-CD2 4.24Å; L300-Y304 HydrophobicContact CB-CE2 4.15Å; L300-Y304 HydrophobicContact CD2-CE2 4.25Å; L300-Y304 WeakPolarHBondContact O-CD2 2.99Å; L300-Y304 PolarHBondContact O-N 3.39Å; L301-Y304 PolarHBondContact O-N 3.45Å; Y304-P308 WeakPolarHBondContact O-CD 3.29Å; Y304-P308 VanDerWaalsContact O-CG 3.29Å; Y304-P308 WeakPolarHBondContact O-CG 3.46Å
305V95.8Very high95.2Very high65 Ų6568 Ų6839%0.39438%0.382SS..Hα-helixtrans-73.9-46166.8171.60000110.9L155 L301 W303 I309L155-V305 HydrophobicContact CD1-CB 4.38Å; L155-V305 HydrophobicContact CD1-CG2 3.48Å; L155-V305 VanDerWaalsContact CD1-CG2 3.48Å; L301-V305 HydrophobicContact CD2-CG2 4.27Å; L301-V305 VanDerWaalsContact O-CG2 3.29Å; L301-V305 WeakPolarHBondContact O-CG2 3.44Å; L301-V305 PolarHBondContact O-N 2.88Å; W303-V305 VanDerWaalsContact C-N 3.28Å; W303-V305 PolarHBondContact O-N 3.07Å; V305-I309 VanDerWaalsContact O-CD1 3.29Å; V305-I309 WeakPolarHBondContact O-CD1 3.31Å; V305-I309 WeakPolarHBondContact O-CG1 3.24Å
306S95.8Very high95Very high50 Ų5069.3 Ų69.335%0.3539%0.391SS..Hα-helixtrans-79-37.3-173.654.20000113.8M302 W303 I309 T310M302-S306 WeakPolarHBondContact O-CB 3.33Å; M302-S306 PolarHBondContact O-N 3.37Å; M302-S306 VanDerWaalsContact O-N 3.09Å; M302-S306 PolarHBondContact O-OG 3.47Å; W303-S306 PolarHBondContact O-N 3.09Å; W303-S306 PolarHBondContact O-OG 3.36Å; W303-S306 VanDerWaalsContact O-OG 3.13Å; S306-I309 WeakPolarHBondContact O-CB 3.48Å; S306-I309 PolarHBondContact O-N 3.29Å; S306-T310 WeakPolarHBondContact O-CG2 3.48Å; S306-T310 PolarHBondContact O-N 3.32Å; S306-T310 PolarHBondContact O-OG1 3.37Å
307M94.1Very high94.5Very high33 Ų3373.3 Ų73.316%0.16341%0.407CS..Hα-helixtrans-62.4-46.2-172.8-176.7-86.3-89.400114W303 I309 T310 I311W303-M307 HydrophobicContact CZ2-CB 4.46Å; W303-M307 HydrophobicContact CZ2-CG 4.21Å; W303-M307 VanDerWaalsContact O-CB 3.24Å; W303-M307 WeakPolarHBondContact O-CB 3.43Å; W303-M307 PolarHBondContact O-N 3.39Å; M307-I309 PolarHBondContact O-N 3.03Å; M307-T310 PolarHBondContact O-N 3.09Å; M307-T310 PolarHBondContact O-OG1 2.91Å; M307-I311 HydrophobicContact CG-CD1 3.77Å; M307-I311 HydrophobicContact CG-CG1 4.5Å; M307-I311 WeakPolarHBondContact O-CG1 3.49Å; M307-I311 PolarHBondContact O-N 3.07Å; M307-I311 VanDerWaalsContact O-N 3.08Å; M307-I311 HydrophobicContact SD-CD1 3.69Å
308P92.9Very high93.7Very high10 Ų1081.8 Ų81.87%0.06546%0.459CS..Hα-helixtrans-62.7-31.1175.9-23.535000113.1Y304 S312 S313 I314Y304-P308 WeakPolarHBondContact O-CD 3.29Å; Y304-P308 VanDerWaalsContact O-CG 3.29Å; Y304-P308 WeakPolarHBondContact O-CG 3.46Å; P308-S312 CarbonylContact O-C 3.56Å; P308-S312 WeakPolarHBondContact O-CA 3.29Å; P308-S312 PolarHBondContact O-N 3.23Å; P308-S313 PolarHBondContact O-N 3.19Å; P308-I314 HydrophobicContact CB-CG1 4.31Å
309I95Very high93.6Very high110 Ų11081.8 Ų81.856%0.56446%0.461SS*.Hα-helixtrans-72-45.7178.5-58.6171.5000110.2V305 S306 M307 S312 I314V305-I309 VanDerWaalsContact O-CD1 3.29Å; V305-I309 WeakPolarHBondContact O-CD1 3.31Å; V305-I309 WeakPolarHBondContact O-CG1 3.24Å; S306-I309 WeakPolarHBondContact O-CB 3.48Å; S306-I309 PolarHBondContact O-N 3.29Å; M307-I309 PolarHBondContact O-N 3.03Å; I309-S312 PolarHBondContact O-N 3Å; I309-I314 HydrophobicContact CG1-CD1 4.28Å
310T95.5Very high93.4Very high110 Ų11082.9 Ų82.968%0.67546%0.459SS*.Hα-helixtrans-69.9-34.4-177.355.80000112.9S306 M307 S312S306-T310 WeakPolarHBondContact O-CG2 3.48Å; S306-T310 PolarHBondContact O-N 3.32Å; S306-T310 PolarHBondContact O-OG1 3.37Å; M307-T310 PolarHBondContact O-N 3.09Å; M307-T310 PolarHBondContact O-OG1 2.91Å; T310-S312 VanDerWaalsContact C-N 3.31Å
311I94.6Very high93.3Very high103 Ų10386.2 Ų86.253%0.52848%0.477SS..THydrogen-bonded Turntrans-89.3-0.2179.3-55.4179.1000111.3M307 S313M307-I311 HydrophobicContact CG-CD1 3.77Å; M307-I311 HydrophobicContact CG-CG1 4.5Å; M307-I311 WeakPolarHBondContact O-CG1 3.49Å; M307-I311 PolarHBondContact O-N 3.07Å; M307-I311 VanDerWaalsContact O-N 3.08Å; M307-I311 HydrophobicContact SD-CD1 3.69Å; I311-S313 PolarHBondContact O-N 2.84Å
312S93Very high93.1Very high112 Ų11289.4 Ų89.478%0.78350%0.495SS*.THydrogen-bonded Turntrans54.433.6-17463.40000113.4P308 I309 T310P308-S312 CarbonylContact O-C 3.56Å; P308-S312 WeakPolarHBondContact O-CA 3.29Å; P308-S312 PolarHBondContact O-N 3.23Å; I309-S312 PolarHBondContact O-N 3Å; T310-S312 VanDerWaalsContact C-N 3.31Å
313S93Very high92.8Very high61 Ų6186.9 Ų86.943%0.42749%0.487SS..  trans-110.339.4-177.5700000111.9P308 I311 P315P308-S313 PolarHBondContact O-N 3.19Å; I311-S313 PolarHBondContact O-N 2.84Å; S313-P315 WeakPolarHBondContact O-CD 3.48Å
314I93.6Very high92.7Very high119 Ų11983.1 Ų83.161%0.6148%0.483SS*.PPolyproline II helixtrans-67.5122.5176.6-59.4174.2000108P308 I309P308-I314 HydrophobicContact CB-CG1 4.31Å; I309-I314 HydrophobicContact CG1-CD1 4.28Å
315P92.8Very high92.5Very high26 Ų2688.6 Ų88.617%0.16952%0.516CS..PPolyproline II helixtrans-68.7153.1-179.529.8-37.2000111.7L155 M156 G158 S313L155-P315 WeakPolarHBondContact O-CD 3.48Å; L155-P315 VanDerWaalsContact O-CG 3.23Å; L155-P315 WeakPolarHBondContact O-CG 3.45Å; M156-P315 WeakPolarHBondContact O-CB 3.49Å; G158-P315 VanDerWaalsContact N-CG 3.34Å; S313-P315 WeakPolarHBondContact O-CD 3.48Å
316P92.4Very high92.2Very high94 Ų9490.4 Ų90.461%0.6153%0.525SS*.PPolyproline II helixtrans-67.3150.5175.830.1-35000111.3
317Q86.8Confident91.9Very high169 Ų16993.8 Ų93.879%0.7954%0.54SS*.  trans-80.5-19.3174-69.7-177.1-9.900113
318T79.8Confident91.8Very high178 Ų17899.3 Ų99.3100%1.09257%0.574SS**  trans-127.10-174.957.10000111.3

Retrieved 318 of 318 residues in 221.6 ms (Link to these results)

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