G4VG77_SCHMA Loading...

Tetraspanin

AlphaFold DB , UniProt , Accession G4VG77, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 246 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M62.3Low88.5Confident111 Ų11175.7 Ų75.755%0.54743%0.428SS..  0141.90-149.797.4133.700108.5C5 L9M1-C5 HydrophobicContact CG-CB 3.98Å; M1-L9 HydrophobicContact CE-CD1 3.87Å
2G80Confident89.1Confident50 Ų5071.3 Ų71.352%0.51541%0.407SS..  trans-75146.4174.900000112.1G4 C5 T6G2-G4 PolarHBondContact O-N 3.1Å; G2-C5 WeakPolarHBondContact O-CB 3.39Å; G2-C5 PolarHBondContact O-N 3.3Å; G2-T6 PolarHBondContact O-N 3.03Å
3R82.5Confident89.6Confident219 Ų21965.8 Ų65.883%0.82638%0.376SS*.Hα-helixtrans-50.2-41.2179.2-78.1-175.3175.3169.6-1.3112.8C5 T6 T7R3-C5 VanDerWaalsContact C-N 3.28Å; R3-C5 PolarHBondContact O-N 3.38Å; R3-T6 PolarHBondContact O-N 3.28Å; R3-T7 PolarHBondContact O-N 3.49Å; R3-T7 PolarHBondContact O-OG1 3.39Å; R3-T7 VanDerWaalsContact O-OG1 3.12Å
4G89Confident90.1Very high59 Ų5965.6 Ų65.661%0.60837%0.372SS*.Hα-helixtrans-61.2-31.6178.500000114.4G2 F8G2-G4 PolarHBondContact O-N 3.1Å; G4-F8 WeakPolarHBondContact O-CB 3.34Å; G4-F8 PolarHBondContact O-N 3.32Å
5C90.5Very high90.5Very high54 Ų5466.3 Ų66.337%0.36538%0.377SS..Hα-helixtrans-71.5-42.8177.2-176.60000111.5M1 G2 R3 F8 L9M1-C5 HydrophobicContact CG-CB 3.98Å; G2-C5 WeakPolarHBondContact O-CB 3.39Å; G2-C5 PolarHBondContact O-N 3.3Å; R3-C5 VanDerWaalsContact C-N 3.28Å; R3-C5 PolarHBondContact O-N 3.38Å; C5-F8 PolarHBondContact O-N 2.93Å; C5-L9 WeakPolarHBondContact O-CG 3.32Å; C5-L9 PolarHBondContact O-N 3.45Å
6T92Very high90.8Very high6 Ų664.9 Ų64.94%0.03737%0.366CS..Hα-helixtrans-62.2-46.2175.1-59.60000111.1G2 R3 F8 L9 V10 L227 S230G2-T6 PolarHBondContact O-N 3.03Å; R3-T6 PolarHBondContact O-N 3.28Å; T6-F8 VanDerWaalsContact C-N 3.3Å; T6-F8 PolarHBondContact O-N 3.04Å; T6-L9 PolarHBondContact O-N 2.87Å; T6-L9 VanDerWaalsContact O-N 3.14Å; T6-V10 HydrophobicContact CG2-CG2 4.5Å; T6-V10 WeakPolarHBondContact O-CG2 3.31Å; T6-V10 PolarHBondContact O-N 3.42Å; T6-L227 HydrophobicContact CG2-CD1 3.86Å; T6-S230 PolarHBondContact OG1-OG 2.86Å
7T93.9Very high91.1Very high85 Ų8561.3 Ų61.352%0.52135%0.346SS..Hα-helixtrans-58.5-42.1176-53.10000111.9R3 V10 V11R3-T7 PolarHBondContact O-N 3.49Å; R3-T7 PolarHBondContact O-OG1 3.39Å; R3-T7 VanDerWaalsContact O-OG1 3.12Å; T7-V10 PolarHBondContact O-N 3.02Å; T7-V11 HydrophobicContact CG2-CG2 4.46Å; T7-V11 WeakPolarHBondContact O-CG2 3.48Å; T7-V11 PolarHBondContact O-N 3.4Å
8F95.1Very high91.5Very high131 Ų13161.2 Ų61.258%0.57535%0.347SS*.Hα-helixtrans-60.4-46.4174.9174.2-95.7000112.3G4 C5 T6 V10 V11 A12G4-F8 WeakPolarHBondContact O-CB 3.34Å; G4-F8 PolarHBondContact O-N 3.32Å; C5-F8 PolarHBondContact O-N 2.93Å; T6-F8 VanDerWaalsContact C-N 3.3Å; T6-F8 PolarHBondContact O-N 3.04Å; F8-V10 PolarHBondContact O-N 3.11Å; F8-V11 PolarHBondContact O-N 2.91Å; F8-A12 VanDerWaalsContact O-CB 3.27Å; F8-A12 WeakPolarHBondContact O-CB 2.92Å; F8-A12 PolarHBondContact O-N 3.42Å
9L95.3Very high91.8Very high6 Ų662.6 Ų62.63%0.03135%0.352CS..Hα-helixtrans-61.6-42.9178.1-69.7171.8000112M1 C5 T6 L13 F223 L226 L227M1-L9 HydrophobicContact CE-CD1 3.87Å; C5-L9 WeakPolarHBondContact O-CG 3.32Å; C5-L9 PolarHBondContact O-N 3.45Å; T6-L9 PolarHBondContact O-N 2.87Å; T6-L9 VanDerWaalsContact O-N 3.14Å; L9-L13 WeakPolarHBondContact O-CB 3.46Å; L9-L13 PolarHBondContact O-N 3.49Å; L9-F223 HydrophobicContact CD2-CB 4.24Å; L9-F223 HydrophobicContact CD2-CD1 3.84Å; L9-F223 HydrophobicContact CD2-CG 4.19Å; L9-L226 HydrophobicContact CD1-CB 3.77Å; L9-L226 HydrophobicContact CD2-CB 4.26Å; L9-L226 HydrophobicContact CD2-CD1 4.3Å; L9-L227 HydrophobicContact CB-CB 4.34Å; L9-L227 HydrophobicContact CB-CD1 4.43Å; L9-L227 HydrophobicContact CD1-CB 4.48Å
10V96Very high92Very high28 Ų2861.6 Ų61.617%0.1734%0.343CS..Hα-helixtrans-60.7-51.4176.3171.80000110.3T6 T7 F8 A12 L13 M14 A78 L227T6-V10 HydrophobicContact CG2-CG2 4.5Å; T6-V10 WeakPolarHBondContact O-CG2 3.31Å; T6-V10 PolarHBondContact O-N 3.42Å; T7-V10 PolarHBondContact O-N 3.02Å; F8-V10 PolarHBondContact O-N 3.11Å; V10-A12 PolarHBondContact O-N 3.31Å; V10-L13 PolarHBondContact O-N 3.37Å; V10-M14 WeakPolarHBondContact O-CB 3.4Å; V10-M14 PolarHBondContact O-N 3.02Å; V10-A78 HydrophobicContact CG1-CB 4.46Å; V10-L227 HydrophobicContact CG2-CD1 3.64Å; V10-L227 HydrophobicContact CG2-CD2 3.97Å; V10-L227 HydrophobicContact CG2-CG 4.49Å
11V96.3Very high92.2Very high84 Ų8461.4 Ų61.451%0.50934%0.342SS..Hα-helixtrans-62.7-43.1-179.21720000111.4T7 F8 T15T7-V11 HydrophobicContact CG2-CG2 4.46Å; T7-V11 WeakPolarHBondContact O-CG2 3.48Å; T7-V11 PolarHBondContact O-N 3.4Å; F8-V11 PolarHBondContact O-N 2.91Å; V11-T15 WeakPolarHBondContact O-CB 3.42Å; V11-T15 PolarHBondContact O-N 3.27Å; V11-T15 PolarHBondContact O-OG1 3.44Å
12A95.6Very high93.9Very high22 Ų2261.8 Ų61.818%0.18235%0.345CS..Hα-helixtrans-63.7-47.8178.600000111.7F8 V10 T15 F16 F223F8-A12 VanDerWaalsContact O-CB 3.27Å; F8-A12 WeakPolarHBondContact O-CB 2.92Å; F8-A12 PolarHBondContact O-N 3.42Å; V10-A12 PolarHBondContact O-N 3.31Å; A12-T15 PolarHBondContact O-N 3.28Å; A12-F16 WeakPolarHBondContact O-CB 3.35Å; A12-F16 PolarHBondContact O-N 3.45Å; A12-F223 HydrophobicContact CB-CD2 4.22Å; A12-F223 HydrophobicContact CB-CE2 4.17Å
13L96.2Very high94.7Very high1 Ų163.2 Ų63.21%0.00534%0.34CS..Hα-helixtrans-67.2-38.7179.6-171.363.5000111.7L9 V10 N17 A78 L86 Y89 A224 L227L9-L13 WeakPolarHBondContact O-CB 3.46Å; L9-L13 PolarHBondContact O-N 3.49Å; V10-L13 PolarHBondContact O-N 3.37Å; L13-N17 WeakPolarHBondContact CD1-ND2 3.38Å; L13-N17 WeakPolarHBondContact O-CB 3.38Å; L13-N17 PolarHBondContact O-N 2.99Å; L13-N17 PolarHBondContact O-ND2 2.69Å; L13-A78 HydrophobicContact CB-CB 4.43Å; L13-A78 HydrophobicContact CD2-CB 4.05Å; L13-A78 HydrophobicContact CG-CB 4.35Å; L13-L86 HydrophobicContact CD2-CD1 3.69Å; L13-Y89 HydrophobicContact CD1-CE1 3.89Å; L13-A224 HydrophobicContact CD2-CB 4.26Å; L13-L227 HydrophobicContact CD2-CD2 4.02Å
14M96.3Very high95.5Very high63 Ų6352.8 Ų52.831%0.3130%0.301SS..Hα-helixtrans-61.6-50174.4-172.972.7174.900110.9V10 F16 N17 V18 C75V10-M14 WeakPolarHBondContact O-CB 3.4Å; V10-M14 PolarHBondContact O-N 3.02Å; M14-F16 VanDerWaalsContact C-N 3.34Å; M14-F16 PolarHBondContact O-N 3.03Å; M14-N17 PolarHBondContact O-N 3.46Å; M14-V18 VanDerWaalsContact O-CG2 3.31Å; M14-V18 WeakPolarHBondContact O-CG2 3.31Å; M14-V18 PolarHBondContact O-N 3.3Å; M14-C75 WeakPolarHBondContact CE-SG 3.43Å; M14-C75 HydrophobicContact SD-CB 4.16Å; M14-C75 PolarHBondContact SD-SG 2.97Å
15T96.2Very high95.9Very high75 Ų7551.7 Ų51.746%0.4629%0.286SS..Hα-helixtrans-59.6-46.1179.3-56.70000111.1V11 A12 V18 I19V11-T15 WeakPolarHBondContact O-CB 3.42Å; V11-T15 PolarHBondContact O-N 3.27Å; V11-T15 PolarHBondContact O-OG1 3.44Å; A12-T15 PolarHBondContact O-N 3.28Å; T15-V18 PolarHBondContact O-N 3.17Å; T15-I19 HydrophobicContact CG2-CD1 4.31Å; T15-I19 WeakPolarHBondContact O-CG1 3.32Å; T15-I19 PolarHBondContact O-N 3.29Å; T15-I19 VanDerWaalsContact O-N 3.13Å
16F95.2Very high96.3Very high45 Ų4552 Ų5220%0.19729%0.293CS..Hα-helixtrans-57-53.2176.2-175.6-92.8000111.1A12 M14 V18 I19 F20 S216 A220A12-F16 WeakPolarHBondContact O-CB 3.35Å; A12-F16 PolarHBondContact O-N 3.45Å; M14-F16 VanDerWaalsContact C-N 3.34Å; M14-F16 PolarHBondContact O-N 3.03Å; F16-V18 VanDerWaalsContact C-N 3.33Å; F16-V18 PolarHBondContact O-N 3.24Å; F16-I19 WeakPolarHBondContact O-CB 3.42Å; F16-I19 PolarHBondContact O-N 3.17Å; F16-I19 VanDerWaalsContact O-N 3.11Å; F16-F20 AromaticContact CD1-CD2 3.62Å; F16-F20 HydrophobicContact CD1-CD2 3.62Å; F16-F20 AromaticContact CD1-CE2 3.79Å; F16-F20 HydrophobicContact CD1-CE2 3.79Å; F16-F20 HydrophobicContact CD2-CD2 4.33Å; F16-F20 AromaticContact CD2-CE2 3.85Å; F16-F20 HydrophobicContact CD2-CE2 3.85Å; F16-F20 AromaticContact CE1-CD2 3.37Å; F16-F20 HydrophobicContact CE1-CD2 3.37Å; F16-F20 AromaticContact CE1-CE2 3.22Å; F16-F20 HydrophobicContact CE1-CE2 3.22Å; F16-F20 HydrophobicContact CE1-CG 4.38Å; F16-F20 HydrophobicContact CE1-CZ 4.06Å; F16-F20 HydrophobicContact CE2-CD2 4.16Å; F16-F20 AromaticContact CE2-CE2 3.33Å; F16-F20 HydrophobicContact CE2-CE2 3.33Å; F16-F20 HydrophobicContact CE2-CZ 4.11Å; F16-F20 HydrophobicContact CG-CD2 4.11Å; F16-F20 HydrophobicContact CG-CE2 4.08Å; F16-F20 AromaticContact CZ-CD2 3.69Å; F16-F20 HydrophobicContact CZ-CD2 3.69Å; F16-F20 AromaticContact CZ-CE2 2.97Å; F16-F20 HydrophobicContact CZ-CE2 2.97Å; F16-F20 AromaticContact CZ-CZ 3.6Å; F16-F20 HydrophobicContact CZ-CZ 3.6Å; F16-F20 VanDerWaalsContact O-CD2 3.3Å; F16-F20 WeakPolarHBondContact O-CD2 3.27Å; F16-F20 PolarHBondContact O-N 3.08Å; F16-F20 VanDerWaalsContact O-N 3.08Å; F16-S216 WeakPolarHBondContact CZ-O 3.43Å; F16-A220 HydrophobicContact CD1-CB 3.74Å; F16-A220 HydrophobicContact CE1-CB 3.29Å; F16-A220 HydrophobicContact CE2-CB 4.27Å; F16-A220 HydrophobicContact CG-CB 4.4Å; F16-A220 HydrophobicContact CZ-CB 3.57Å
17N96.9Very high96.5Very high3 Ų354 Ų542%0.01630%0.303CS..Hα-helixtrans-65.6-32.9-178-78.9-74.4000113.2L13 M14 I19 F20 L21 A71 C75 Y89L13-N17 WeakPolarHBondContact CD1-ND2 3.38Å; L13-N17 WeakPolarHBondContact O-CB 3.38Å; L13-N17 PolarHBondContact O-N 2.99Å; L13-N17 PolarHBondContact O-ND2 2.69Å; M14-N17 PolarHBondContact O-N 3.46Å; N17-I19 VanDerWaalsContact C-N 3.34Å; N17-F20 PolarHBondContact O-N 2.97Å; N17-L21 VanDerWaalsContact O-CB 3.31Å; N17-L21 WeakPolarHBondContact O-CB 3.34Å; N17-L21 PolarHBondContact O-N 3.04Å; N17-A71 WeakPolarHBondContact OD1-CA 3.38Å; N17-C75 HydrophobicContact CB-CB 4.41Å; N17-Y89 PolarHBondContact ND2-OH 3.31Å; N17-Y89 WeakPolarHBondContact OD1-CE2 3.29Å; N17-Y89 PolarHBondContact OD1-OH 3.12Å
18V97.6Very high96.7Very high60 Ų6051.1 Ų51.136%0.36428%0.284SS..Hα-helixtrans-63.3-40.6172.81700000111.1M14 T15 F16 L21 L22M14-V18 VanDerWaalsContact O-CG2 3.31Å; M14-V18 WeakPolarHBondContact O-CG2 3.31Å; M14-V18 PolarHBondContact O-N 3.3Å; T15-V18 PolarHBondContact O-N 3.17Å; F16-V18 VanDerWaalsContact C-N 3.33Å; F16-V18 PolarHBondContact O-N 3.24Å; V18-L21 WeakPolarHBondContact O-CB 3.31Å; V18-L21 PolarHBondContact O-N 3.15Å; V18-L22 WeakPolarHBondContact O-CG 3.37Å; V18-L22 PolarHBondContact O-N 2.94Å
19I96.8Very high96.8Very high87 Ų8749 Ų4945%0.44628%0.284SS..Hα-helixtrans-62.6-46.4175.2-66.1165.5000110.6T15 F16 N17 L21 L22 I23T15-I19 HydrophobicContact CG2-CD1 4.31Å; T15-I19 WeakPolarHBondContact O-CG1 3.32Å; T15-I19 PolarHBondContact O-N 3.29Å; T15-I19 VanDerWaalsContact O-N 3.13Å; F16-I19 WeakPolarHBondContact O-CB 3.42Å; F16-I19 PolarHBondContact O-N 3.17Å; F16-I19 VanDerWaalsContact O-N 3.11Å; N17-I19 VanDerWaalsContact C-N 3.34Å; I19-L21 VanDerWaalsContact C-N 3.3Å; I19-L21 PolarHBondContact O-N 3.02Å; I19-L22 PolarHBondContact O-N 3.27Å; I19-I23 HydrophobicContact CG2-CD1 3.84Å; I19-I23 HydrophobicContact CG2-CG1 4.5Å; I19-I23 WeakPolarHBondContact O-CG1 3.26Å; I19-I23 PolarHBondContact O-N 2.81Å
20F95.5Very high96.8Very high42 Ų4254.4 Ų54.418%0.18431%0.308CS..Hα-helixtrans-64.8-33.8176.9-82.2-83.3000113F16 N17 I23 G24 T67 A71F16-F20 AromaticContact CD1-CD2 3.62Å; F16-F20 HydrophobicContact CD1-CD2 3.62Å; F16-F20 AromaticContact CD1-CE2 3.79Å; F16-F20 HydrophobicContact CD1-CE2 3.79Å; F16-F20 HydrophobicContact CD2-CD2 4.33Å; F16-F20 AromaticContact CD2-CE2 3.85Å; F16-F20 HydrophobicContact CD2-CE2 3.85Å; F16-F20 AromaticContact CE1-CD2 3.37Å; F16-F20 HydrophobicContact CE1-CD2 3.37Å; F16-F20 AromaticContact CE1-CE2 3.22Å; F16-F20 HydrophobicContact CE1-CE2 3.22Å; F16-F20 HydrophobicContact CE1-CG 4.38Å; F16-F20 HydrophobicContact CE1-CZ 4.06Å; F16-F20 HydrophobicContact CE2-CD2 4.16Å; F16-F20 AromaticContact CE2-CE2 3.33Å; F16-F20 HydrophobicContact CE2-CE2 3.33Å; F16-F20 HydrophobicContact CE2-CZ 4.11Å; F16-F20 HydrophobicContact CG-CD2 4.11Å; F16-F20 HydrophobicContact CG-CE2 4.08Å; F16-F20 AromaticContact CZ-CD2 3.69Å; F16-F20 HydrophobicContact CZ-CD2 3.69Å; F16-F20 AromaticContact CZ-CE2 2.97Å; F16-F20 HydrophobicContact CZ-CE2 2.97Å; F16-F20 AromaticContact CZ-CZ 3.6Å; F16-F20 HydrophobicContact CZ-CZ 3.6Å; F16-F20 VanDerWaalsContact O-CD2 3.3Å; F16-F20 WeakPolarHBondContact O-CD2 3.27Å; F16-F20 PolarHBondContact O-N 3.08Å; F16-F20 VanDerWaalsContact O-N 3.08Å; N17-F20 PolarHBondContact O-N 2.97Å; F20-I23 PolarHBondContact O-N 3.02Å; F20-G24 PolarHBondContact O-N 3.37Å; F20-T67 HydrophobicContact CB-CG2 4.36Å; F20-T67 HydrophobicContact CD1-CG2 4.3Å; F20-A71 HydrophobicContact CB-CB 4.35Å
21L97.8Very high96.7Very high59 Ų5953.1 Ų53.131%0.30930%0.3SS..Hα-helixtrans-61.5-46173.8-174.868.8000110.9N17 V18 I19 G24 A25 I68 A71 V72N17-L21 VanDerWaalsContact O-CB 3.31Å; N17-L21 WeakPolarHBondContact O-CB 3.34Å; N17-L21 PolarHBondContact O-N 3.04Å; V18-L21 WeakPolarHBondContact O-CB 3.31Å; V18-L21 PolarHBondContact O-N 3.15Å; I19-L21 VanDerWaalsContact C-N 3.3Å; I19-L21 PolarHBondContact O-N 3.02Å; L21-G24 PolarHBondContact O-N 3.48Å; L21-A25 VanDerWaalsContact O-CB 3.32Å; L21-A25 WeakPolarHBondContact O-CB 3.41Å; L21-A25 PolarHBondContact O-N 3.26Å; L21-I68 HydrophobicContact CD1-CB 4.26Å; L21-I68 HydrophobicContact CD1-CG1 4.3Å; L21-I68 HydrophobicContact CD1-CG2 3.8Å; L21-A71 HydrophobicContact CB-CB 4.04Å; L21-A71 HydrophobicContact CD1-CB 4.29Å; L21-V72 HydrophobicContact CD1-CG2 4.12Å
22L98Very high96.7Very high119 Ų11952.8 Ų52.862%0.62330%0.295SS*.Hα-helixtrans-64.6-42.6177-66.7176.2000112V18 I19 A25 A26V18-L22 WeakPolarHBondContact O-CG 3.37Å; V18-L22 PolarHBondContact O-N 2.94Å; I19-L22 PolarHBondContact O-N 3.27Å; L22-A25 PolarHBondContact O-N 2.87Å; L22-A26 WeakPolarHBondContact O-CB 3.32Å; L22-A26 PolarHBondContact O-N 3.39Å
23I96.5Very high96.6Very high79 Ų7958.1 Ų58.141%0.40531%0.311SS..Hα-helixtrans-62.3-47.4175.9-67.7168.1000110.5I19 F20 A25 A26 I27I19-I23 HydrophobicContact CG2-CD1 3.84Å; I19-I23 HydrophobicContact CG2-CG1 4.5Å; I19-I23 WeakPolarHBondContact O-CG1 3.26Å; I19-I23 PolarHBondContact O-N 2.81Å; F20-I23 PolarHBondContact O-N 3.02Å; I23-A25 PolarHBondContact O-N 3.17Å; I23-A26 PolarHBondContact O-N 2.89Å; I23-I27 HydrophobicContact CG2-CD1 3.77Å; I23-I27 HydrophobicContact CG2-CG1 4.44Å; I23-I27 VanDerWaalsContact O-CG1 3.29Å; I23-I27 WeakPolarHBondContact O-CG1 3.23Å; I23-I27 PolarHBondContact O-N 3.47Å
24G98Very high96.2Very high0 Ų058.7 Ų58.70%032%0.315CS..Hα-helixtrans-61.5-42.6178.100000112.5F20 L21 I27 L28F20-G24 PolarHBondContact O-N 3.37Å; L21-G24 PolarHBondContact O-N 3.48Å; G24-I27 PolarHBondContact O-N 3.27Å; G24-L28 VanDerWaalsContact O-CB 3.32Å; G24-L28 WeakPolarHBondContact O-CB 3.4Å; G24-L28 PolarHBondContact O-N 3.44Å
25A98.4Very high95.9Very high37 Ų3760 Ų6031%0.30632%0.317SS..Hα-helixtrans-62.5-43.8174.200000112L21 L22 I23 L28 C29L21-A25 VanDerWaalsContact O-CB 3.32Å; L21-A25 WeakPolarHBondContact O-CB 3.41Å; L21-A25 PolarHBondContact O-N 3.26Å; L22-A25 PolarHBondContact O-N 2.87Å; I23-A25 PolarHBondContact O-N 3.17Å; A25-L28 PolarHBondContact O-N 3.37Å; A25-C29 WeakPolarHBondContact O-CB 3.39Å; A25-C29 PolarHBondContact O-N 3.17Å; A25-C29 PolarHBondContact O-SG 2.94Å
26A98.1Very high95.6Very high61 Ų6161.6 Ų61.650%0.50433%0.326SS..Hα-helixtrans-62.2-45.4176.600000112.1L22 I23 F30L22-A26 WeakPolarHBondContact O-CB 3.32Å; L22-A26 PolarHBondContact O-N 3.39Å; I23-A26 PolarHBondContact O-N 2.89Å; A26-F30 VanDerWaalsContact O-CB 3.28Å; A26-F30 WeakPolarHBondContact O-CB 3.45Å; A26-F30 PolarHBondContact O-N 3.18Å
27I97.4Very high95.1Very high47 Ų4760.2 Ų60.224%0.24132%0.321CS..Hα-helixtrans-60.4-46.6176-68167000110.5I23 G24 F30 A31 L60I23-I27 HydrophobicContact CG2-CD1 3.77Å; I23-I27 HydrophobicContact CG2-CG1 4.44Å; I23-I27 VanDerWaalsContact O-CG1 3.29Å; I23-I27 WeakPolarHBondContact O-CG1 3.23Å; I23-I27 PolarHBondContact O-N 3.47Å; G24-I27 PolarHBondContact O-N 3.27Å; I27-F30 PolarHBondContact O-N 3.48Å; I27-A31 VanDerWaalsContact O-CB 3.31Å; I27-A31 WeakPolarHBondContact O-CB 3.32Å; I27-A31 PolarHBondContact O-N 3.35Å; I27-L60 HydrophobicContact CG2-CD2 4.49Å
28L97.9Very high94.1Very high24 Ų2464.1 Ų64.113%0.12635%0.348CS..Hα-helixtrans-64.4-48-179.3-178.459.9000111.8G24 A25 F30 A31 I32 I61 L65 I68G24-L28 VanDerWaalsContact O-CB 3.32Å; G24-L28 WeakPolarHBondContact O-CB 3.4Å; G24-L28 PolarHBondContact O-N 3.44Å; A25-L28 PolarHBondContact O-N 3.37Å; L28-F30 VanDerWaalsContact C-N 3.32Å; L28-F30 PolarHBondContact O-N 2.83Å; L28-A31 PolarHBondContact O-N 2.91Å; L28-I32 HydrophobicContact CD1-CD1 3.8Å; L28-I32 HydrophobicContact CD1-CG1 4.1Å; L28-I32 HydrophobicContact CG-CD1 3.8Å; L28-I32 HydrophobicContact CG-CG1 4.46Å; L28-I32 WeakPolarHBondContact O-CB 3.34Å; L28-I32 VanDerWaalsContact O-CG1 3.3Å; L28-I32 WeakPolarHBondContact O-CG1 3.21Å; L28-I32 PolarHBondContact O-N 3.37Å; L28-I61 HydrophobicContact CD1-CB 4.44Å; L28-I61 HydrophobicContact CD1-CG2 3.95Å; L28-L65 HydrophobicContact CD1-CD2 4.32Å; L28-L65 HydrophobicContact CD1-CG 3.92Å; L28-L65 HydrophobicContact CD2-CD2 3.6Å; L28-L65 HydrophobicContact CD2-CG 4.05Å; L28-I68 HydrophobicContact CB-CD1 4.29Å; L28-I68 HydrophobicContact CD2-CD1 3.67Å
29C97.7Very high92.9Very high86 Ų8662.9 Ų62.958%0.58134%0.34SS*.Hα-helixtrans-58.3-44.9176.2-73.60000111.3A25 Y33A25-C29 WeakPolarHBondContact O-CB 3.39Å; A25-C29 PolarHBondContact O-N 3.17Å; A25-C29 PolarHBondContact O-SG 2.94Å; C29-Y33 VanDerWaalsContact O-CB 3.25Å; C29-Y33 WeakPolarHBondContact O-CB 3.38Å; C29-Y33 PolarHBondContact O-N 2.94Å
30F95Very high91.7Very high121 Ų12161 Ų6153%0.53133%0.33SS..Hα-helixtrans-62.7-43.8176.4178-102.9000112.1A26 I27 L28 Y33 C34A26-F30 VanDerWaalsContact O-CB 3.28Å; A26-F30 WeakPolarHBondContact O-CB 3.45Å; A26-F30 PolarHBondContact O-N 3.18Å; I27-F30 PolarHBondContact O-N 3.48Å; L28-F30 VanDerWaalsContact C-N 3.32Å; L28-F30 PolarHBondContact O-N 2.83Å; F30-Y33 PolarHBondContact O-N 3.48Å; F30-C34 VanDerWaalsContact CZ-SG 3.59Å; F30-C34 WeakPolarHBondContact O-CB 3.38Å; F30-C34 PolarHBondContact O-N 3.14Å; F30-C34 PolarHBondContact O-SG 2.91Å; F30-C34 VanDerWaalsContact O-SG 3.32Å
31A94.6Very high90.8Very high0 Ų060.9 Ų60.90%033%0.33CS..Hα-helixtrans-66.8-41.9-179.900000112.2I27 L28 C34 Y35 L60 I61I27-A31 VanDerWaalsContact O-CB 3.31Å; I27-A31 WeakPolarHBondContact O-CB 3.32Å; I27-A31 PolarHBondContact O-N 3.35Å; L28-A31 PolarHBondContact O-N 2.91Å; A31-C34 PolarHBondContact O-N 3Å; A31-Y35 VanDerWaalsContact O-CB 3.3Å; A31-Y35 WeakPolarHBondContact O-CB 3.23Å; A31-Y35 PolarHBondContact O-N 3.49Å; A31-L60 HydrophobicContact CB-CB 3.73Å; A31-I61 HydrophobicContact CB-CG1 3.65Å
32I95.5Very high89.5Confident78 Ų7861.2 Ų61.240%0.434%0.337SS..Hα-helixtrans-64.8-43.8174.7-67.5170.6000110.4L28 C34 Y35 V36L28-I32 HydrophobicContact CD1-CD1 3.8Å; L28-I32 HydrophobicContact CD1-CG1 4.1Å; L28-I32 HydrophobicContact CG-CD1 3.8Å; L28-I32 HydrophobicContact CG-CG1 4.46Å; L28-I32 WeakPolarHBondContact O-CB 3.34Å; L28-I32 VanDerWaalsContact O-CG1 3.3Å; L28-I32 WeakPolarHBondContact O-CG1 3.21Å; L28-I32 PolarHBondContact O-N 3.37Å; I32-C34 VanDerWaalsContact C-N 3.35Å; I32-C34 PolarHBondContact O-N 2.97Å; I32-Y35 PolarHBondContact O-N 3.41Å; I32-Y35 VanDerWaalsContact O-N 3.14Å; I32-V36 HydrophobicContact CG2-CG2 4.14Å; I32-V36 WeakPolarHBondContact O-CG2 3.48Å; I32-V36 PolarHBondContact O-N 3.31Å
33Y93.3Very high87.9Confident134 Ų13455.9 Ų55.953%0.52531%0.311SS..Hα-helixtrans-55.8-50.7175.1176.1-93.3000111C29 F30 Y35 V36 D37 I40C29-Y33 VanDerWaalsContact O-CB 3.25Å; C29-Y33 WeakPolarHBondContact O-CB 3.38Å; C29-Y33 PolarHBondContact O-N 2.94Å; F30-Y33 PolarHBondContact O-N 3.48Å; Y33-Y35 VanDerWaalsContact C-N 3.27Å; Y33-Y35 PolarHBondContact O-N 3.35Å; Y33-V36 PolarHBondContact O-N 3.14Å; Y33-D37 VanDerWaalsContact O-CB 3.29Å; Y33-D37 WeakPolarHBondContact O-CB 3.3Å; Y33-D37 PolarHBondContact O-N 3.05Å; Y33-I40 HydrophobicContact CE1-CD1 4.37Å
34C88Confident86.6Confident12 Ų1252.3 Ų52.38%0.08129%0.292CS..Hα-helixtrans-63.3-30.9177.1-70.90000113.6F30 A31 I32 I40 L57F30-C34 VanDerWaalsContact CZ-SG 3.59Å; F30-C34 WeakPolarHBondContact O-CB 3.38Å; F30-C34 PolarHBondContact O-N 3.14Å; F30-C34 PolarHBondContact O-SG 2.91Å; F30-C34 VanDerWaalsContact O-SG 3.32Å; A31-C34 PolarHBondContact O-N 3Å; I32-C34 VanDerWaalsContact C-N 3.35Å; I32-C34 PolarHBondContact O-N 2.97Å; C34-I40 HydrophobicContact CB-CD1 4.19Å; C34-I40 HydrophobicContact CB-CG2 4.34Å; C34-I40 VanDerWaalsContact O-CG2 3.29Å; C34-I40 WeakPolarHBondContact O-CG2 3.22Å; C34-L57 HydrophobicContact CB-CD2 3.57Å
35Y89.2Confident85.4Confident91 Ų9156.2 Ų56.236%0.35732%0.319SS..Hα-helixtrans-75.9-38.6178.3178.3-98.4000112.9A31 I32 Y33 Q41 Y58 I61A31-Y35 VanDerWaalsContact O-CB 3.3Å; A31-Y35 WeakPolarHBondContact O-CB 3.23Å; A31-Y35 PolarHBondContact O-N 3.49Å; I32-Y35 PolarHBondContact O-N 3.41Å; I32-Y35 VanDerWaalsContact O-N 3.14Å; Y33-Y35 VanDerWaalsContact C-N 3.27Å; Y33-Y35 PolarHBondContact O-N 3.35Å; Y35-Q41 VanDerWaalsContact O-CG 3.24Å; Y35-Q41 WeakPolarHBondContact O-CG 3.27Å; Y35-Q41 PolarHBondContact O-NE2 3.37Å; Y35-Y58 HydrophobicContact CD2-CE1 4.11Å; Y35-Y58 AromaticContact CE2-CE1 3.54Å; Y35-Y58 HydrophobicContact CE2-CE1 3.54Å; Y35-Y58 AromaticContact CE2-CZ 3.97Å; Y35-I61 HydrophobicContact CG-CD1 4.48Å
36V89.5Confident83.7Confident108 Ų10863.4 Ų63.466%0.65534%0.339SS*.Hα-helixtrans-82.8-28.6-178.2175.60000111.6I32 Y33 S38I32-V36 HydrophobicContact CG2-CG2 4.14Å; I32-V36 WeakPolarHBondContact O-CG2 3.48Å; I32-V36 PolarHBondContact O-N 3.31Å; Y33-V36 PolarHBondContact O-N 3.14Å; V36-S38 PolarHBondContact O-N 3.47Å; V36-S38 VanDerWaalsContact O-N 3.08Å
37D85.2Confident82.2Confident16 Ų1661.4 Ų61.49%0.08632%0.321CS..  trans-64.7112.1-179.7-170.5112.7000111.4Y33 L39 I40 Q41 R140Y33-D37 VanDerWaalsContact O-CB 3.29Å; Y33-D37 WeakPolarHBondContact O-CB 3.3Å; Y33-D37 PolarHBondContact O-N 3.05Å; D37-L39 PolarHBondContact O-N 3.01Å; D37-L39 VanDerWaalsContact OD2-CA 3.31Å; D37-L39 WeakPolarHBondContact OD2-CA 3.43Å; D37-L39 VanDerWaalsContact OD2-CB 3.22Å; D37-L39 WeakPolarHBondContact OD2-CB 3.31Å; D37-L39 PolarHBondContact OD2-N 3.46Å; D37-I40 HydrophobicContact CB-CB 4.17Å; D37-I40 HydrophobicContact CB-CD1 3.92Å; D37-I40 HydrophobicContact CB-CG1 4.05Å; D37-I40 PolarHBondContact O-N 2.96Å; D37-I40 PolarHBondContact OD2-N 3.46Å; D37-Q41 PolarHBondContact O-N 3.06Å; D37-R140 IonicContact OD1-NH1 2.74Å; D37-R140 PolarHBondContact OD1-NH1 2.93Å
38S77.3Confident80.7Confident85 Ų8562.5 Ų62.559%0.59434%0.344SS*.Hα-helixtrans-61.5-29.1-179.664.50000113.9V36 I40 Q41 S42V36-S38 PolarHBondContact O-N 3.47Å; V36-S38 VanDerWaalsContact O-N 3.08Å; S38-I40 VanDerWaalsContact C-N 3.33Å; S38-Q41 PolarHBondContact O-N 3.25Å; S38-S42 VanDerWaalsContact O-CB 3.29Å; S38-S42 WeakPolarHBondContact O-CB 3.42Å; S38-S42 PolarHBondContact O-N 3.49Å; S38-S42 PolarHBondContact O-OG 3.23Å
39L70.6Confident79.3Confident35 Ų3564.6 Ų64.618%0.18335%0.353CS..Hα-helixtrans-74.3-27.5175.8-59.5-173.8000111.4D37 S42 A43 N137 R140D37-L39 PolarHBondContact O-N 3.01Å; D37-L39 VanDerWaalsContact OD2-CA 3.31Å; D37-L39 WeakPolarHBondContact OD2-CA 3.43Å; D37-L39 VanDerWaalsContact OD2-CB 3.22Å; D37-L39 WeakPolarHBondContact OD2-CB 3.31Å; D37-L39 PolarHBondContact OD2-N 3.46Å; L39-S42 PolarHBondContact O-OG 2.82Å; L39-A43 WeakPolarHBondContact O-CB 3.14Å; L39-N137 HydrophobicContact CD2-CB 4.33Å; L39-R140 HydrophobicContact CD1-CB 3.78Å; L39-R140 HydrophobicContact CD1-CG 4.03Å
40I73.3Confident78Confident47 Ų4761.6 Ų61.624%0.24133%0.334CS..Hα-helixtrans-80.8-32.5173.6-63.2175.3000111Y33 C34 D37 S38 A43 V44Y33-I40 HydrophobicContact CE1-CD1 4.37Å; C34-I40 HydrophobicContact CB-CD1 4.19Å; C34-I40 HydrophobicContact CB-CG2 4.34Å; C34-I40 VanDerWaalsContact O-CG2 3.29Å; C34-I40 WeakPolarHBondContact O-CG2 3.22Å; D37-I40 HydrophobicContact CB-CB 4.17Å; D37-I40 HydrophobicContact CB-CD1 3.92Å; D37-I40 HydrophobicContact CB-CG1 4.05Å; D37-I40 PolarHBondContact O-N 2.96Å; D37-I40 PolarHBondContact OD2-N 3.46Å; S38-I40 VanDerWaalsContact C-N 3.33Å; I40-A43 VanDerWaalsContact C-CB 3.43Å; I40-A43 WeakPolarHBondContact O-CB 3.46Å; I40-V44 WeakPolarHBondContact O-CB 3.33Å; I40-V44 WeakPolarHBondContact O-CG2 3.27Å; I40-V44 PolarHBondContact O-N 2.86Å
41Q76.5Confident77.3Confident40 Ų4061.7 Ų61.719%0.18734%0.34CS..Hα-helixtrans-75.9-41.4178-70.2-73.629.500114Y35 D37 S38 V44 S45Y35-Q41 VanDerWaalsContact O-CG 3.24Å; Y35-Q41 WeakPolarHBondContact O-CG 3.27Å; Y35-Q41 PolarHBondContact O-NE2 3.37Å; D37-Q41 PolarHBondContact O-N 3.06Å; S38-Q41 PolarHBondContact O-N 3.25Å; Q41-V44 WeakPolarHBondContact O-CB 3.22Å; Q41-V44 PolarHBondContact O-N 2.82Å; Q41-V44 VanDerWaalsContact O-N 3.1Å; Q41-S45 PolarHBondContact O-N 2.9Å; Q41-S45 PolarHBondContact O-OG 2.95Å
42S70.4Confident76.5Confident65 Ų6566.7 Ų66.746%0.45536%0.362SS..Hα-helixtrans-63.1-53.4178.853.50000111.6S38 L39 V44 S45 R46S38-S42 VanDerWaalsContact O-CB 3.29Å; S38-S42 WeakPolarHBondContact O-CB 3.42Å; S38-S42 PolarHBondContact O-N 3.49Å; S38-S42 PolarHBondContact O-OG 3.23Å; L39-S42 PolarHBondContact O-OG 2.82Å; S42-V44 PolarHBondContact O-N 2.89Å; S42-S45 WeakPolarHBondContact O-CA 3.34Å; S42-S45 WeakPolarHBondContact O-CB 3.39Å; S42-S45 PolarHBondContact O-N 3.32Å; S42-S45 VanDerWaalsContact O-N 3.15Å; S42-R46 PolarHBondContact O-N 2.82Å
43A64.2Low75.7Confident8 Ų864.6 Ų64.67%0.06635%0.351CS..Hα-helixtrans-23.9-61.714900000118.1L39 I40 S45 R46 S47 R128L39-A43 WeakPolarHBondContact O-CB 3.14Å; I40-A43 VanDerWaalsContact C-CB 3.43Å; I40-A43 WeakPolarHBondContact O-CB 3.46Å; A43-S45 VanDerWaalsContact C-N 3.34Å; A43-R46 PolarHBondContact O-N 2.96Å; A43-S47 PolarHBondContact O-N 2.87Å; A43-R128 PolarHBondContact O-NH2 3.33Å
44V68.9Low75.2Confident4 Ų461.3 Ų61.32%0.02434%0.34CS..Hα-helixtrans-62.8-46.2-179.8157.70000109.4I40 Q41 S42 R46 S47 A50 M53I40-V44 WeakPolarHBondContact O-CB 3.33Å; I40-V44 WeakPolarHBondContact O-CG2 3.27Å; I40-V44 PolarHBondContact O-N 2.86Å; Q41-V44 WeakPolarHBondContact O-CB 3.22Å; Q41-V44 PolarHBondContact O-N 2.82Å; Q41-V44 VanDerWaalsContact O-N 3.1Å; S42-V44 PolarHBondContact O-N 2.89Å; V44-R46 VanDerWaalsContact C-N 3.3Å; V44-R46 PolarHBondContact O-N 3.48Å; V44-S47 PolarHBondContact O-N 3.43Å; V44-S47 PolarHBondContact O-OG 3.25Å; V44-A50 HydrophobicContact CG1-CB 4.25Å; V44-A50 WeakPolarHBondContact CG1-O 3.35Å; V44-A50 VanDerWaalsContact O-CA 3.26Å; V44-A50 WeakPolarHBondContact O-CA 3.46Å; V44-M53 HydrophobicContact CB-CB 4.32Å; V44-M53 HydrophobicContact CG1-CB 3.78Å; V44-M53 HydrophobicContact CG2-CB 3.71Å; V44-M53 HydrophobicContact CG2-CG 4.45Å
45S71.6Confident75.3Confident81 Ų8165.6 Ų65.657%0.56636%0.362SS*.Hα-helixtrans-58.1-38.7178-54.40000112.9Q41 S42 A43Q41-S45 PolarHBondContact O-N 2.9Å; Q41-S45 PolarHBondContact O-OG 2.95Å; S42-S45 WeakPolarHBondContact O-CA 3.34Å; S42-S45 WeakPolarHBondContact O-CB 3.39Å; S42-S45 PolarHBondContact O-N 3.32Å; S42-S45 VanDerWaalsContact O-N 3.15Å; A43-S45 VanDerWaalsContact C-N 3.34Å
46R64.4Low75.2Confident189 Ų18966.1 Ų66.171%0.71337%0.371SS*.Hα-helixtrans-80.8-16.2-177-161.2164.3-171.5152.10.2114.7S42 A43 V44 G48S42-R46 PolarHBondContact O-N 2.82Å; A43-R46 PolarHBondContact O-N 2.96Å; V44-R46 VanDerWaalsContact C-N 3.3Å; V44-R46 PolarHBondContact O-N 3.48Å; R46-G48 PolarHBondContact O-N 2.84Å
47S65.5Low75.3Confident18 Ų1861.8 Ų61.813%0.12634%0.344CS..THydrogen-bonded Turntrans-67.8-4.4-177.168.80000115A43 V44 H49A43-S47 PolarHBondContact O-N 2.87Å; V44-S47 PolarHBondContact O-N 3.43Å; V44-S47 PolarHBondContact O-OG 3.25Å; S47-H49 PolarHBondContact O-N 3.3Å; S47-H49 PolarHBondContact O-ND1 3.36Å; S47-H49 PolarHBondContact OG-N 3.47Å
48G65.4Low75.7Confident70 Ų7065.7 Ų65.772%0.72236%0.358SS*.THydrogen-bonded Turntrans65.70.9-168.400000113.6R46R46-G48 PolarHBondContact O-N 2.84Å
49H68.3Low76.4Confident69 Ų6964.5 Ų64.532%0.31935%0.354SS..  trans-129.329.7-176.5-65.595.1000111.1S47 D51 K52 M53S47-H49 PolarHBondContact O-N 3.3Å; S47-H49 PolarHBondContact O-ND1 3.36Å; S47-H49 PolarHBondContact OG-N 3.47Å; H49-D51 VanDerWaalsContact C-N 3.27Å; H49-D51 PolarHBondContact O-N 3.28Å; H49-K52 PolarHBondContact O-N 3.42Å; H49-M53 PolarHBondContact O-N 2.81Å; H49-M53 VanDerWaalsContact O-N 3.11Å
50A72.1Confident77.6Confident22 Ų2265.8 Ų65.818%0.18236%0.36CS..Hα-helixtrans-48.7-50.7-175.600000111.9V44 K52 M53 Q54V44-A50 HydrophobicContact CG1-CB 4.25Å; V44-A50 WeakPolarHBondContact CG1-O 3.35Å; V44-A50 VanDerWaalsContact O-CA 3.26Å; V44-A50 WeakPolarHBondContact O-CA 3.46Å; A50-K52 VanDerWaalsContact C-N 3.31Å; A50-K52 PolarHBondContact O-N 2.84Å; A50-M53 PolarHBondContact O-N 3.34Å; A50-Q54 VanDerWaalsContact O-CB 3.26Å; A50-Q54 WeakPolarHBondContact O-CB 3.48Å; A50-Q54 PolarHBondContact O-N 2.91Å
51D78.6Confident78.7Confident123 Ų12365.2 Ų65.266%0.65836%0.357SS*.Hα-helixtrans-58.2-42.1-179.2-52.8-29.3000112.3H49 N55H49-D51 VanDerWaalsContact C-N 3.27Å; H49-D51 PolarHBondContact O-N 3.28Å; D51-N55 WeakPolarHBondContact O-CB 3.38Å; D51-N55 PolarHBondContact O-N 3.44Å; D51-N55 PolarHBondContact O-ND2 2.72Å; D51-N55 PolarHBondContact O-OD1 3.41Å
52K78.7Confident79.7Confident106 Ų10665.1 Ų65.146%0.46137%0.367SS..Hα-helixtrans-68.9-45.8-178.7-66.2-179.1-172.3165.70111.3H49 A50 Q54 N55 L56H49-K52 PolarHBondContact O-N 3.42Å; A50-K52 VanDerWaalsContact C-N 3.31Å; A50-K52 PolarHBondContact O-N 2.84Å; K52-Q54 VanDerWaalsContact C-N 3.34Å; K52-N55 PolarHBondContact O-N 2.9Å; K52-L56 WeakPolarHBondContact O-CG 3.3Å; K52-L56 PolarHBondContact O-N 2.91Å
53M77.7Confident80.9Confident33 Ų3365.8 Ų65.816%0.16337%0.365CS..Hα-helixtrans-68.3-37.1179.8-67.1-69-88.300111.4V44 H49 A50 L56 L57 A121V44-M53 HydrophobicContact CB-CB 4.32Å; V44-M53 HydrophobicContact CG1-CB 3.78Å; V44-M53 HydrophobicContact CG2-CB 3.71Å; V44-M53 HydrophobicContact CG2-CG 4.45Å; H49-M53 PolarHBondContact O-N 2.81Å; H49-M53 VanDerWaalsContact O-N 3.11Å; A50-M53 PolarHBondContact O-N 3.34Å; M53-L56 WeakPolarHBondContact O-CB 3.22Å; M53-L56 PolarHBondContact O-N 2.99Å; M53-L56 HydrophobicContact SD-CD1 4.1Å; M53-L57 PolarHBondContact O-N 3.4Å; M53-L57 VanDerWaalsContact O-N 3.07Å; M53-A121 HydrophobicContact SD-CB 4.33Å
54Q84.9Confident82.5Confident66 Ų6665.4 Ų65.431%0.30836%0.362SS..Hα-helixtrans-63.7-41.7173.7-177.8171.6-37.700111.5A50 K52 L56 L57 Y58A50-Q54 VanDerWaalsContact O-CB 3.26Å; A50-Q54 WeakPolarHBondContact O-CB 3.48Å; A50-Q54 PolarHBondContact O-N 2.91Å; K52-Q54 VanDerWaalsContact C-N 3.34Å; Q54-L56 VanDerWaalsContact C-N 3.29Å; Q54-L56 PolarHBondContact O-N 2.9Å; Q54-L57 PolarHBondContact O-N 2.92Å; Q54-Y58 HydrophobicContact CG-CD2 4.02Å; Q54-Y58 HydrophobicContact CG-CE2 3.39Å; Q54-Y58 PolarHBondContact NE2-OH 3Å; Q54-Y58 WeakPolarHBondContact O-CD2 3.25Å; Q54-Y58 PolarHBondContact O-N 3.36Å
55N88.9Confident83.9Confident101 Ų10169.3 Ų69.354%0.5438%0.382SS..Hα-helixtrans-61.5-36.2173.7-70.2-11.6000112.5D51 K52 Y58 A59D51-N55 WeakPolarHBondContact O-CB 3.38Å; D51-N55 PolarHBondContact O-N 3.44Å; D51-N55 PolarHBondContact O-ND2 2.72Å; D51-N55 PolarHBondContact O-OD1 3.41Å; K52-N55 PolarHBondContact O-N 2.9Å; N55-Y58 PolarHBondContact O-N 2.98Å; N55-A59 WeakPolarHBondContact O-CB 3.46Å; N55-A59 PolarHBondContact O-N 3.45Å
56L87.3Confident85.1Confident102 Ų10269.5 Ų69.553%0.53438%0.377SS..Hα-helixtrans-64.9-42.6174.2-69173.8000111.9K52 M53 Q54 A59 L60K52-L56 WeakPolarHBondContact O-CG 3.3Å; K52-L56 PolarHBondContact O-N 2.91Å; M53-L56 WeakPolarHBondContact O-CB 3.22Å; M53-L56 PolarHBondContact O-N 2.99Å; M53-L56 HydrophobicContact SD-CD1 4.1Å; Q54-L56 VanDerWaalsContact C-N 3.29Å; Q54-L56 PolarHBondContact O-N 2.9Å; L56-A59 PolarHBondContact O-N 3.49Å; L56-L60 WeakPolarHBondContact O-CG 3.2Å; L56-L60 PolarHBondContact O-N 3.32Å
57L90.7Very high86.6Confident18 Ų1861.3 Ų61.39%0.09435%0.347CS..Hα-helixtrans-62.3-44176-70.2173.8000111.6C34 M53 Q54 A59 L60 I61C34-L57 HydrophobicContact CB-CD2 3.57Å; M53-L57 PolarHBondContact O-N 3.4Å; M53-L57 VanDerWaalsContact O-N 3.07Å; Q54-L57 PolarHBondContact O-N 2.92Å; L57-A59 VanDerWaalsContact C-N 3.32Å; L57-A59 PolarHBondContact O-N 3.45Å; L57-L60 PolarHBondContact O-N 2.88Å; L57-I61 WeakPolarHBondContact O-CG1 3.42Å; L57-I61 PolarHBondContact O-N 3.21Å
58Y93.6Very high88.2Confident97 Ų9762.2 Ų62.238%0.3835%0.351SS..Hα-helixtrans-62.7-38.8174.5-65.6-39.9000112.8Y35 Q54 N55 L60 I61 G62Y35-Y58 HydrophobicContact CD2-CE1 4.11Å; Y35-Y58 AromaticContact CE2-CE1 3.54Å; Y35-Y58 HydrophobicContact CE2-CE1 3.54Å; Y35-Y58 AromaticContact CE2-CZ 3.97Å; Q54-Y58 HydrophobicContact CG-CD2 4.02Å; Q54-Y58 HydrophobicContact CG-CE2 3.39Å; Q54-Y58 PolarHBondContact NE2-OH 3Å; Q54-Y58 WeakPolarHBondContact O-CD2 3.25Å; Q54-Y58 PolarHBondContact O-N 3.36Å; N55-Y58 PolarHBondContact O-N 2.98Å; Y58-L60 VanDerWaalsContact C-N 3.34Å; Y58-L60 PolarHBondContact O-N 3.44Å; Y58-I61 HydrophobicContact CD1-CD1 4.42Å; Y58-I61 PolarHBondContact O-N 2.98Å; Y58-G62 PolarHBondContact O-N 3.46Å
59A93.7Very high89.7Confident61 Ų6162.3 Ų62.350%0.50434%0.337SS..Hα-helixtrans-62.9-40174.600000111.9N55 L56 L57 G62 L63N55-A59 WeakPolarHBondContact O-CB 3.46Å; N55-A59 PolarHBondContact O-N 3.45Å; L56-A59 PolarHBondContact O-N 3.49Å; L57-A59 VanDerWaalsContact C-N 3.32Å; L57-A59 PolarHBondContact O-N 3.45Å; A59-G62 PolarHBondContact O-N 3.46Å; A59-L63 VanDerWaalsContact O-CB 3.28Å; A59-L63 WeakPolarHBondContact O-CB 3.32Å; A59-L63 PolarHBondContact O-N 3.25Å
60L94.5Very high91.1Very high62 Ų6259.4 Ų59.433%0.32532%0.324SS..Hα-helixtrans-66.3-41.4175.7-71.7173.6000112.6I27 A31 L56 L57 Y58 L63 G64I27-L60 HydrophobicContact CG2-CD2 4.49Å; A31-L60 HydrophobicContact CB-CB 3.73Å; L56-L60 WeakPolarHBondContact O-CG 3.2Å; L56-L60 PolarHBondContact O-N 3.32Å; L57-L60 PolarHBondContact O-N 2.88Å; Y58-L60 VanDerWaalsContact C-N 3.34Å; Y58-L60 PolarHBondContact O-N 3.44Å; L60-L63 PolarHBondContact O-N 2.94Å; L60-G64 PolarHBondContact O-N 3.34Å
61I97.3Very high92.3Very high35 Ų3558.4 Ų58.418%0.17932%0.316CS..Hα-helixtrans-60.1-48.9173.8-67.7169.8000109.9L28 A31 Y35 L57 Y58 L63 G64 L65L28-I61 HydrophobicContact CD1-CB 4.44Å; L28-I61 HydrophobicContact CD1-CG2 3.95Å; A31-I61 HydrophobicContact CB-CG1 3.65Å; Y35-I61 HydrophobicContact CG-CD1 4.48Å; L57-I61 WeakPolarHBondContact O-CG1 3.42Å; L57-I61 PolarHBondContact O-N 3.21Å; Y58-I61 HydrophobicContact CD1-CD1 4.42Å; Y58-I61 PolarHBondContact O-N 2.98Å; I61-L63 PolarHBondContact O-N 2.92Å; I61-G64 PolarHBondContact O-N 3.31Å; I61-L65 HydrophobicContact CG2-CD1 4Å; I61-L65 WeakPolarHBondContact O-CG 3.31Å; I61-L65 PolarHBondContact O-N 2.9Å
62G96.8Very high93.2Very high38 Ų3855.5 Ų55.539%0.39230%0.302SS..Hα-helixtrans-60-43.6177.800000112.6Y58 A59 L66Y58-G62 PolarHBondContact O-N 3.46Å; A59-G62 PolarHBondContact O-N 3.46Å; G62-L66 VanDerWaalsContact O-CB 3.22Å; G62-L66 WeakPolarHBondContact O-CB 3.39Å; G62-L66 PolarHBondContact O-N 2.94Å
63L95.8Very high94Very high79 Ų7954.2 Ų54.241%0.41430%0.297SS..Hα-helixtrans-63.1-45.1177.3179.663.5000112.1A59 L60 I61 T67A59-L63 VanDerWaalsContact O-CB 3.28Å; A59-L63 WeakPolarHBondContact O-CB 3.32Å; A59-L63 PolarHBondContact O-N 3.25Å; L60-L63 PolarHBondContact O-N 2.94Å; I61-L63 PolarHBondContact O-N 2.92Å; L63-T67 WeakPolarHBondContact O-CB 3.46Å; L63-T67 PolarHBondContact O-N 3.32Å; L63-T67 PolarHBondContact O-OG1 3.31Å
64G97.8Very high94.9Very high0 Ų052.6 Ų52.60%029%0.289CS..Hα-helixtrans-61.1-50.1177.400000111.9L60 I61 T67 I68L60-G64 PolarHBondContact O-N 3.34Å; I61-G64 PolarHBondContact O-N 3.31Å; G64-T67 PolarHBondContact O-N 2.96Å; G64-I68 WeakPolarHBondContact O-CD1 3.41Å; G64-I68 VanDerWaalsContact O-CG1 3.32Å; G64-I68 WeakPolarHBondContact O-CG1 3.48Å; G64-I68 PolarHBondContact O-N 2.73Å
65L98Very high95.5Very high86 Ų8650.9 Ų50.945%0.4528%0.284SS..Hα-helixtrans-60.8-47.2177.2-75.5171.7000112.5L28 I61 T67 I68 V69L28-L65 HydrophobicContact CD1-CD2 4.32Å; L28-L65 HydrophobicContact CD1-CG 3.92Å; L28-L65 HydrophobicContact CD2-CD2 3.6Å; L28-L65 HydrophobicContact CD2-CG 4.05Å; I61-L65 HydrophobicContact CG2-CD1 4Å; I61-L65 WeakPolarHBondContact O-CG 3.31Å; I61-L65 PolarHBondContact O-N 2.9Å; L65-T67 VanDerWaalsContact C-N 3.31Å; L65-T67 PolarHBondContact O-N 3.46Å; L65-I68 PolarHBondContact O-N 3.24Å; L65-V69 WeakPolarHBondContact O-CG2 3.23Å; L65-V69 PolarHBondContact O-N 3.42Å
66L96.5Very high95.9Very high85 Ų8548.1 Ų48.145%0.44527%0.272SS..Hα-helixtrans-59-44.8178.7179.364000111G62 I68 V69 V70G62-L66 VanDerWaalsContact O-CB 3.22Å; G62-L66 WeakPolarHBondContact O-CB 3.39Å; G62-L66 PolarHBondContact O-N 2.94Å; L66-I68 VanDerWaalsContact C-N 3.35Å; L66-I68 PolarHBondContact O-N 2.85Å; L66-V69 PolarHBondContact O-N 3.05Å; L66-V70 HydrophobicContact CD1-CG2 4.16Å; L66-V70 VanDerWaalsContact O-CG2 3.31Å; L66-V70 WeakPolarHBondContact O-CG2 3.3Å; L66-V70 PolarHBondContact O-N 2.82Å
67T96.6Very high96.3Very high16 Ų1643.3 Ų43.310%0.09825%0.247CC..Hα-helixtrans-62-42.7179.1-55.60000111.4F20 L63 G64 L65 A71F20-T67 HydrophobicContact CB-CG2 4.36Å; F20-T67 HydrophobicContact CD1-CG2 4.3Å; L63-T67 WeakPolarHBondContact O-CB 3.46Å; L63-T67 PolarHBondContact O-N 3.32Å; L63-T67 PolarHBondContact O-OG1 3.31Å; G64-T67 PolarHBondContact O-N 2.96Å; L65-T67 VanDerWaalsContact C-N 3.31Å; L65-T67 PolarHBondContact O-N 3.46Å; T67-A71 WeakPolarHBondContact O-CB 3.49Å; T67-A71 PolarHBondContact O-N 3.34Å
68I98.2Very high96.6Very high38 Ų3842.4 Ų42.420%0.19524%0.242CC..Hα-helixtrans-61.5-49.8176.4-70.3161.3000111.1L21 L28 G64 L65 L66 V70 A71 V72L21-I68 HydrophobicContact CD1-CB 4.26Å; L21-I68 HydrophobicContact CD1-CG1 4.3Å; L21-I68 HydrophobicContact CD1-CG2 3.8Å; L28-I68 HydrophobicContact CB-CD1 4.29Å; L28-I68 HydrophobicContact CD2-CD1 3.67Å; G64-I68 WeakPolarHBondContact O-CD1 3.41Å; G64-I68 VanDerWaalsContact O-CG1 3.32Å; G64-I68 WeakPolarHBondContact O-CG1 3.48Å; G64-I68 PolarHBondContact O-N 2.73Å; L65-I68 PolarHBondContact O-N 3.24Å; L66-I68 VanDerWaalsContact C-N 3.35Å; L66-I68 PolarHBondContact O-N 2.85Å; I68-V70 PolarHBondContact O-N 3.42Å; I68-A71 PolarHBondContact O-N 2.89Å; I68-V72 HydrophobicContact CG2-CG2 4.48Å; I68-V72 WeakPolarHBondContact O-CG2 3.31Å; I68-V72 PolarHBondContact O-N 3.36Å
69V97.6Very high96.7Very high71 Ų7145.8 Ų45.843%0.4326%0.255SS..Hα-helixtrans-61.3-46-178.1170.80000111L65 L66 A71 V72 F73L65-V69 WeakPolarHBondContact O-CG2 3.23Å; L65-V69 PolarHBondContact O-N 3.42Å; L66-V69 PolarHBondContact O-N 3.05Å; V69-A71 PolarHBondContact O-N 3.24Å; V69-V72 PolarHBondContact O-N 3.31Å; V69-F73 HydrophobicContact CG1-CD2 4.14Å; V69-F73 HydrophobicContact CG1-CE2 3.56Å; V69-F73 HydrophobicContact CG1-CZ 3.89Å; V69-F73 PolarHBondContact O-N 3.38Å
70V97.1Very high96.8Very high8 Ų848.9 Ų48.95%0.04826%0.259CS..Hα-helixtrans-63.7-42.1177.6174.40000110.9L66 I68 V72 F73 G74 Y89 C92 L93 M96L66-V70 HydrophobicContact CD1-CG2 4.16Å; L66-V70 VanDerWaalsContact O-CG2 3.31Å; L66-V70 WeakPolarHBondContact O-CG2 3.3Å; L66-V70 PolarHBondContact O-N 2.82Å; I68-V70 PolarHBondContact O-N 3.42Å; V70-V72 VanDerWaalsContact C-N 3.34Å; V70-V72 PolarHBondContact O-N 3.39Å; V70-F73 PolarHBondContact O-N 3.08Å; V70-G74 PolarHBondContact O-N 3.27Å; V70-Y89 HydrophobicContact CG1-CD2 3.82Å; V70-Y89 HydrophobicContact CG1-CE2 3.94Å; V70-Y89 WeakPolarHBondContact O-CD2 3.4Å; V70-C92 HydrophobicContact CG1-CB 4.26Å; V70-C92 HydrophobicContact CG2-CB 3.82Å; V70-L93 HydrophobicContact CG1-CD2 4.12Å; V70-M96 HydrophobicContact CG1-SD 4.38Å; V70-M96 HydrophobicContact CG2-SD 4.14Å
71A97.7Very high96.7Very high2 Ų249.5 Ų49.52%0.01726%0.26CS..Hα-helixtrans-63-38.6177.100000112.6N17 F20 L21 T67 I68 V69 G74 C75N17-A71 WeakPolarHBondContact OD1-CA 3.38Å; F20-A71 HydrophobicContact CB-CB 4.35Å; L21-A71 HydrophobicContact CB-CB 4.04Å; L21-A71 HydrophobicContact CD1-CB 4.29Å; T67-A71 WeakPolarHBondContact O-CB 3.49Å; T67-A71 PolarHBondContact O-N 3.34Å; I68-A71 PolarHBondContact O-N 2.89Å; V69-A71 PolarHBondContact O-N 3.24Å; A71-G74 PolarHBondContact O-N 2.9Å; A71-C75 WeakPolarHBondContact O-CB 3.48Å; A71-C75 PolarHBondContact O-N 3.49Å
72V97.1Very high96.6Very high61 Ų6149.5 Ų49.537%0.3726%0.264SS..Hα-helixtrans-63.6-44.4174.2170.10000110.8L21 I68 V69 V70 G74 C75 C76L21-V72 HydrophobicContact CD1-CG2 4.12Å; I68-V72 HydrophobicContact CG2-CG2 4.48Å; I68-V72 WeakPolarHBondContact O-CG2 3.31Å; I68-V72 PolarHBondContact O-N 3.36Å; V69-V72 PolarHBondContact O-N 3.31Å; V70-V72 VanDerWaalsContact C-N 3.34Å; V70-V72 PolarHBondContact O-N 3.39Å; V72-G74 VanDerWaalsContact C-N 3.33Å; V72-G74 PolarHBondContact O-N 3.47Å; V72-C75 PolarHBondContact O-N 2.96Å; V72-C76 VanDerWaalsContact O-CB 3.31Å; V72-C76 WeakPolarHBondContact O-CB 3.47Å; V72-C76 PolarHBondContact O-N 3Å; V72-C76 PolarHBondContact O-SG 3.46Å; V72-C76 VanDerWaalsContact O-SG 3.37Å
73F96.1Very high96.5Very high79 Ų7951.6 Ų51.635%0.34626%0.26SS..Hα-helixtrans-62.3-39174.8-65.7-30.7000112.8V69 V70 G77V69-F73 HydrophobicContact CG1-CD2 4.14Å; V69-F73 HydrophobicContact CG1-CE2 3.56Å; V69-F73 HydrophobicContact CG1-CZ 3.89Å; V69-F73 PolarHBondContact O-N 3.38Å; V70-F73 PolarHBondContact O-N 3.08Å; F73-G77 WeakPolarHBondContact O-CA 3.22Å; F73-G77 PolarHBondContact O-N 3.11Å
74G97.4Very high96.5Very high0 Ų052.3 Ų52.30%027%0.27CS..Hα-helixtrans-64.5-45.5174.900000112.6V70 A71 V72 A78 Y89V70-G74 PolarHBondContact O-N 3.27Å; A71-G74 PolarHBondContact O-N 2.9Å; V72-G74 VanDerWaalsContact C-N 3.33Å; V72-G74 PolarHBondContact O-N 3.47Å; G74-A78 VanDerWaalsContact O-CB 3.3Å; G74-A78 WeakPolarHBondContact O-CB 3.36Å; G74-A78 PolarHBondContact O-N 2.91Å; G74-Y89 VanDerWaalsContact CA-CD2 3.45Å
75C97Very high96.4Very high30 Ų3054.8 Ų54.820%0.20328%0.283CS..Hα-helixtrans-62-55.6176.6176.70000112M14 N17 A71 V72 G77 A78 Y79M14-C75 WeakPolarHBondContact CE-SG 3.43Å; M14-C75 HydrophobicContact SD-CB 4.16Å; M14-C75 PolarHBondContact SD-SG 2.97Å; N17-C75 HydrophobicContact CB-CB 4.41Å; A71-C75 WeakPolarHBondContact O-CB 3.48Å; A71-C75 PolarHBondContact O-N 3.49Å; V72-C75 PolarHBondContact O-N 2.96Å; C75-G77 VanDerWaalsContact C-N 3.34Å; C75-G77 PolarHBondContact O-N 3.29Å; C75-A78 PolarHBondContact O-N 3.46Å; C75-Y79 WeakPolarHBondContact O-CB 3.32Å; C75-Y79 PolarHBondContact O-N 3.13Å
76C97.1Very high96.3Very high43 Ų4350.7 Ų50.729%0.29126%0.262SS..Hα-helixtrans-64.2-37.9178.3-67.20000112.1V72 Y79 H80 L85V72-C76 VanDerWaalsContact O-CB 3.31Å; V72-C76 WeakPolarHBondContact O-CB 3.47Å; V72-C76 PolarHBondContact O-N 3Å; V72-C76 PolarHBondContact O-SG 3.46Å; V72-C76 VanDerWaalsContact O-SG 3.37Å; C76-Y79 PolarHBondContact O-N 3.26Å; C76-H80 WeakPolarHBondContact O-CB 3.36Å; C76-H80 PolarHBondContact O-CD2 3.46Å; C76-H80 PolarHBondContact O-N 3.41Å; C76-L85 HydrophobicContact CB-CD2 3.56Å
77G96.7Very high96.3Very high0 Ų047.8 Ų47.80%025%0.253CS..Hα-helixtrans-64.2-39176.100000112.6F73 C75 E81 S82F73-G77 WeakPolarHBondContact O-CA 3.22Å; F73-G77 PolarHBondContact O-N 3.11Å; C75-G77 VanDerWaalsContact C-N 3.34Å; C75-G77 PolarHBondContact O-N 3.29Å; G77-E81 WeakPolarHBondContact O-CA 3.32Å; G77-E81 PolarHBondContact O-N 2.95Å; G77-S82 PolarHBondContact O-N 3.38Å; G77-S82 VanDerWaalsContact O-N 3.15Å
78A96.4Very high96.3Very high0 Ų049.7 Ų49.70%026%0.264CS..Hα-helixtrans-70.2-46.917400000112V10 L13 G74 C75 E81 L227V10-A78 HydrophobicContact CG1-CB 4.46Å; L13-A78 HydrophobicContact CB-CB 4.43Å; L13-A78 HydrophobicContact CD2-CB 4.05Å; L13-A78 HydrophobicContact CG-CB 4.35Å; G74-A78 VanDerWaalsContact O-CB 3.3Å; G74-A78 WeakPolarHBondContact O-CB 3.36Å; G74-A78 PolarHBondContact O-N 2.91Å; C75-A78 PolarHBondContact O-N 3.46Å; A78-E81 PolarHBondContact O-N 3.25Å; A78-L227 HydrophobicContact CB-CD2 4.25Å
79Y95.7Very high96.2Very high167 Ų16747.9 Ų47.966%0.65526%0.255SS*.Hα-helixtrans-66.9-45-177179-100.1000113.1C75 C76 E81C75-Y79 WeakPolarHBondContact O-CB 3.32Å; C75-Y79 PolarHBondContact O-N 3.13Å; C76-Y79 PolarHBondContact O-N 3.26Å; Y79-E81 VanDerWaalsContact C-N 3.29Å
80H94.9Very high96.2Very high127 Ų12745.3 Ų45.359%0.58824%0.24SC*.THydrogen-bonded Turntrans-86.2-0.3178.5-71.8-69.4000113.4C76 S82C76-H80 WeakPolarHBondContact O-CB 3.36Å; C76-H80 PolarHBondContact O-CD2 3.46Å; C76-H80 PolarHBondContact O-N 3.41Å; H80-S82 PolarHBondContact O-N 3.04Å
81E93.6Very high96.2Very high74 Ų7450 Ų5035%0.34626%0.263SS..THydrogen-bonded Turntrans48.435.7-173.8-65.7-173.5-167.800111.8G77 A78 Y79 R83 V231G77-E81 WeakPolarHBondContact O-CA 3.32Å; G77-E81 PolarHBondContact O-N 2.95Å; A78-E81 PolarHBondContact O-N 3.25Å; Y79-E81 VanDerWaalsContact C-N 3.29Å; E81-R83 PolarHBondContact O-N 2.86Å; E81-V231 HydrophobicContact CB-CG2 3.76Å; E81-V231 HydrophobicContact CG-CG2 4.31Å; E81-V231 VanDerWaalsContact O-CG1 3.23Å; E81-V231 WeakPolarHBondContact O-CG1 3.37Å
82S94.6Very high96.1Very high36 Ų3651.7 Ų51.725%0.25228%0.275SS..  trans-88.4114.3-172.8175.40000111G77 H80 C84 L85 L86G77-S82 PolarHBondContact O-N 3.38Å; G77-S82 VanDerWaalsContact O-N 3.15Å; H80-S82 PolarHBondContact O-N 3.04Å; S82-C84 PolarHBondContact O-N 3.2Å; S82-L85 PolarHBondContact O-N 2.78Å; S82-L86 WeakPolarHBondContact O-CB 3.46Å; S82-L86 PolarHBondContact O-N 3.05Å
83R94.3Very high96Very high82 Ų8249.2 Ų49.231%0.30926%0.26SS..Hα-helixtrans-59.2-35.2179.4-58.3-174.2-162.6170.54113.1E81 G87 V231 K232 N235E81-R83 PolarHBondContact O-N 2.86Å; R83-G87 PolarHBondContact O-N 2.92Å; R83-V231 HydrophobicContact CG-CB 4.31Å; R83-V231 HydrophobicContact CG-CG1 3.75Å; R83-V231 PolarHBondContact NH2-O 3.04Å; R83-K232 PolarHBondContact NH2-O 3.34Å; R83-N235 PolarHBondContact NH2-ND2 3.34Å
84C95.7Very high96Very high94 Ų9449 Ų4964%0.63527%0.265SS*.Hα-helixtrans-65.9-50.1179.6-176.50000110.6S82 L86 G87 T88S82-C84 PolarHBondContact O-N 3.2Å; C84-L86 VanDerWaalsContact C-N 3.35Å; C84-L86 PolarHBondContact O-N 2.91Å; C84-G87 PolarHBondContact O-N 3.43Å; C84-T88 PolarHBondContact O-N 2.99Å; C84-T88 PolarHBondContact O-OG1 3.26Å
85L96Very high96Very high51 Ų5154.1 Ų54.127%0.26729%0.291SS..Hα-helixtrans-64.3-39.4177.9-90.864.7000112.3C76 S82 G87 T88 Y89C76-L85 HydrophobicContact CB-CD2 3.56Å; S82-L85 PolarHBondContact O-N 2.78Å; L85-G87 VanDerWaalsContact C-N 3.29Å; L85-G87 PolarHBondContact O-N 3.26Å; L85-T88 WeakPolarHBondContact CA-OG1 3.38Å; L85-T88 PolarHBondContact O-N 2.91Å; L85-T88 PolarHBondContact O-OG1 3.4Å; L85-Y89 VanDerWaalsContact O-CB 3.32Å; L85-Y89 WeakPolarHBondContact O-CB 3.25Å; L85-Y89 PolarHBondContact O-N 3.48Å
86L96.1Very high95.8Very high0 Ų053.9 Ų53.90%029%0.287CS..Hα-helixtrans-68.9-33.3178.3-162.156.8000111.6L13 S82 C84 Y89 S90 A224 L227 C228L13-L86 HydrophobicContact CD2-CD1 3.69Å; S82-L86 WeakPolarHBondContact O-CB 3.46Å; S82-L86 PolarHBondContact O-N 3.05Å; C84-L86 VanDerWaalsContact C-N 3.35Å; C84-L86 PolarHBondContact O-N 2.91Å; L86-Y89 HydrophobicContact CD1-CD1 4.26Å; L86-S90 WeakPolarHBondContact O-CB 3.36Å; L86-S90 PolarHBondContact O-N 3.22Å; L86-S90 PolarHBondContact O-OG 3.44Å; L86-A224 HydrophobicContact CD1-CB 3.61Å; L86-A224 VanDerWaalsContact CD2-O 3.22Å; L86-A224 WeakPolarHBondContact CD2-O 3.23Å; L86-A224 HydrophobicContact CG-CB 4.12Å; L86-L227 HydrophobicContact CD2-CB 3.92Å; L86-L227 HydrophobicContact CD2-CD2 4.02Å; L86-L227 HydrophobicContact CD2-CG 3.83Å; L86-C228 HydrophobicContact CD2-CB 3.68Å; L86-C228 VanDerWaalsContact CD2-N 3.32Å; L86-C228 HydrophobicContact CG-CB 4.22Å
87G96.2Very high95.7Very high25 Ų2554.8 Ų54.826%0.25829%0.286SS..Hα-helixtrans-64.7-48.9170.400000112.3R83 C84 L85 Y89 S90 I91R83-G87 PolarHBondContact O-N 2.92Å; C84-G87 PolarHBondContact O-N 3.43Å; L85-G87 VanDerWaalsContact C-N 3.29Å; L85-G87 PolarHBondContact O-N 3.26Å; G87-Y89 VanDerWaalsContact C-N 3.35Å; G87-Y89 PolarHBondContact O-N 2.9Å; G87-S90 PolarHBondContact O-N 3.36Å; G87-I91 WeakPolarHBondContact O-CG1 3.26Å; G87-I91 PolarHBondContact O-N 2.83Å
88T96.1Very high95.6Very high55 Ų5556.6 Ų56.634%0.33731%0.305SS..Hα-helixtrans-61.4-44.1176.9540000111.3C84 L85 S90 I91 C92C84-T88 PolarHBondContact O-N 2.99Å; C84-T88 PolarHBondContact O-OG1 3.26Å; L85-T88 WeakPolarHBondContact CA-OG1 3.38Å; L85-T88 PolarHBondContact O-N 2.91Å; L85-T88 PolarHBondContact O-OG1 3.4Å; T88-S90 PolarHBondContact O-N 2.89Å; T88-I91 PolarHBondContact O-N 3.41Å; T88-C92 WeakPolarHBondContact O-CB 3.32Å; T88-C92 PolarHBondContact O-N 2.98Å; T88-C92 PolarHBondContact O-SG 3.05Å
89Y97.4Very high95.5Very high1 Ų160.6 Ų60.60%0.00433%0.329CS..Hα-helixtrans-55.8-48173.4171.4-105.2000112.2L13 N17 V70 G74 L85 L86 G87 I91 C92 L93 A224L13-Y89 HydrophobicContact CD1-CE1 3.89Å; N17-Y89 PolarHBondContact ND2-OH 3.31Å; N17-Y89 WeakPolarHBondContact OD1-CE2 3.29Å; N17-Y89 PolarHBondContact OD1-OH 3.12Å; V70-Y89 HydrophobicContact CG1-CD2 3.82Å; V70-Y89 HydrophobicContact CG1-CE2 3.94Å; V70-Y89 WeakPolarHBondContact O-CD2 3.4Å; G74-Y89 VanDerWaalsContact CA-CD2 3.45Å; L85-Y89 VanDerWaalsContact O-CB 3.32Å; L85-Y89 WeakPolarHBondContact O-CB 3.25Å; L85-Y89 PolarHBondContact O-N 3.48Å; L86-Y89 HydrophobicContact CD1-CD1 4.26Å; G87-Y89 VanDerWaalsContact C-N 3.35Å; G87-Y89 PolarHBondContact O-N 2.9Å; Y89-I91 PolarHBondContact O-N 3.35Å; Y89-C92 PolarHBondContact O-N 2.8Å; Y89-L93 HydrophobicContact CD1-CD1 4.2Å; Y89-L93 HydrophobicContact CD2-CG 4.37Å; Y89-L93 HydrophobicContact CE1-CD1 3.45Å; Y89-L93 VanDerWaalsContact CE1-CD1 3.45Å; Y89-L93 HydrophobicContact CE1-CG 4.19Å; Y89-L93 HydrophobicContact CE2-CD1 3.95Å; Y89-L93 HydrophobicContact CE2-CD2 4.24Å; Y89-L93 HydrophobicContact CE2-CG 3.96Å; Y89-L93 PolarHBondContact O-N 3.5Å; Y89-L93 WeakPolarHBondContact OH-CD1 3.43Å; Y89-A224 HydrophobicContact CD1-CB 3.81Å; Y89-A224 HydrophobicContact CE1-CB 3.79Å
90S96.8Very high95.4Very high16 Ų1654.9 Ų54.911%0.11231%0.309CS..Hα-helixtrans-63.3-40.9-179.8-60.50000112.7L86 G87 T88 T94L86-S90 WeakPolarHBondContact O-CB 3.36Å; L86-S90 PolarHBondContact O-N 3.22Å; L86-S90 PolarHBondContact O-OG 3.44Å; G87-S90 PolarHBondContact O-N 3.36Å; T88-S90 PolarHBondContact O-N 2.89Å; S90-T94 WeakPolarHBondContact O-CB 3.38Å; S90-T94 PolarHBondContact O-N 2.86Å; S90-T94 PolarHBondContact O-OG1 2.99Å
91I96.9Very high95.3Very high106 Ų10652.2 Ų52.254%0.54430%0.298SS..Hα-helixtrans-64.7-47.4176.1-67.6165.4000110G87 T88 Y89 L93 T94 I95G87-I91 WeakPolarHBondContact O-CG1 3.26Å; G87-I91 PolarHBondContact O-N 2.83Å; T88-I91 PolarHBondContact O-N 3.41Å; Y89-I91 PolarHBondContact O-N 3.35Å; I91-L93 PolarHBondContact O-N 2.98Å; I91-T94 PolarHBondContact O-N 3.42Å; I91-I95 HydrophobicContact CG2-CD1 4.02Å; I91-I95 WeakPolarHBondContact O-CG1 3.3Å; I91-I95 PolarHBondContact O-N 2.93Å
92C96.1Very high95.3Very high38 Ų3851.1 Ų51.126%0.25730%0.302SS..Hα-helixtrans-58.1-47.8177.4-70.80000111.9V70 T88 Y89 T94 I95 M96V70-C92 HydrophobicContact CG1-CB 4.26Å; V70-C92 HydrophobicContact CG2-CB 3.82Å; T88-C92 WeakPolarHBondContact O-CB 3.32Å; T88-C92 PolarHBondContact O-N 2.98Å; T88-C92 PolarHBondContact O-SG 3.05Å; Y89-C92 PolarHBondContact O-N 2.8Å; C92-T94 VanDerWaalsContact C-N 3.3Å; C92-T94 PolarHBondContact O-N 3.35Å; C92-I95 PolarHBondContact O-N 3.46Å; C92-M96 WeakPolarHBondContact O-CG 3.5Å; C92-M96 PolarHBondContact O-N 3.38Å
93L96.2Very high95.2Very high10 Ų1053 Ų535%0.05231%0.311CS..Hα-helixtrans-59.6-40.2176.6-77.8-169.7000112.7V70 Y89 I91 M96 F97 K217 A220 L221V70-L93 HydrophobicContact CG1-CD2 4.12Å; Y89-L93 HydrophobicContact CD1-CD1 4.2Å; Y89-L93 HydrophobicContact CD2-CG 4.37Å; Y89-L93 HydrophobicContact CE1-CD1 3.45Å; Y89-L93 VanDerWaalsContact CE1-CD1 3.45Å; Y89-L93 HydrophobicContact CE1-CG 4.19Å; Y89-L93 HydrophobicContact CE2-CD1 3.95Å; Y89-L93 HydrophobicContact CE2-CD2 4.24Å; Y89-L93 HydrophobicContact CE2-CG 3.96Å; Y89-L93 PolarHBondContact O-N 3.5Å; Y89-L93 WeakPolarHBondContact OH-CD1 3.43Å; I91-L93 PolarHBondContact O-N 2.98Å; L93-M96 PolarHBondContact O-N 3.44Å; L93-F97 WeakPolarHBondContact O-CB 3.35Å; L93-F97 PolarHBondContact O-N 2.96Å; L93-K217 HydrophobicContact CD2-CD 4.23Å; L93-K217 HydrophobicContact CD2-CG 4.2Å; L93-A220 HydrophobicContact CD1-CB 3.96Å; L93-L221 HydrophobicContact CD1-CB 4.49Å
94T95.9Very high95.1Very high73 Ų7349.6 Ų49.645%0.44830%0.301SS..Hα-helixtrans-63.4-42.8178.5-57.40000111.2S90 I91 C92 F97 G98S90-T94 WeakPolarHBondContact O-CB 3.38Å; S90-T94 PolarHBondContact O-N 2.86Å; S90-T94 PolarHBondContact O-OG1 2.99Å; I91-T94 PolarHBondContact O-N 3.42Å; C92-T94 VanDerWaalsContact C-N 3.3Å; C92-T94 PolarHBondContact O-N 3.35Å; T94-F97 PolarHBondContact O-N 3.39Å; T94-G98 PolarHBondContact O-N 3.35Å
95I96Very high95Very high108 Ų10847.5 Ų47.555%0.55429%0.29SS*.Hα-helixtrans-63.6-47.5175.4-65.9168000110.4I91 C92 F97 G98 V99I91-I95 HydrophobicContact CG2-CD1 4.02Å; I91-I95 WeakPolarHBondContact O-CG1 3.3Å; I91-I95 PolarHBondContact O-N 2.93Å; C92-I95 PolarHBondContact O-N 3.46Å; I95-F97 VanDerWaalsContact C-N 3.32Å; I95-F97 PolarHBondContact O-N 3.15Å; I95-G98 PolarHBondContact O-N 3.41Å; I95-G98 VanDerWaalsContact O-N 3.15Å; I95-V99 WeakPolarHBondContact O-CG2 3.38Å; I95-V99 PolarHBondContact O-N 3.06Å
96M93.9Very high94.8Very high25 Ų2549.9 Ų49.912%0.12330%0.303CS..Hα-helixtrans-59.9-42.3178.2-68.9178.577.300111.9V70 C92 L93 G98 V99 E100 K217V70-M96 HydrophobicContact CG1-SD 4.38Å; V70-M96 HydrophobicContact CG2-SD 4.14Å; C92-M96 WeakPolarHBondContact O-CG 3.5Å; C92-M96 PolarHBondContact O-N 3.38Å; L93-M96 PolarHBondContact O-N 3.44Å; M96-G98 VanDerWaalsContact C-N 3.34Å; M96-G98 PolarHBondContact O-N 2.89Å; M96-V99 PolarHBondContact O-N 2.88Å; M96-E100 WeakPolarHBondContact O-CG 3.45Å; M96-E100 PolarHBondContact O-N 3.33Å; M96-K217 HydrophobicContact CB-CD 4.2Å
97F94.6Very high94.6Very high62 Ų6251.7 Ų51.727%0.27232%0.315SS..Hα-helixtrans-58.3-46.4174.6175.6-101.8000111.3L93 T94 I95 V99 E100 I101 P214 L218L93-F97 WeakPolarHBondContact O-CB 3.35Å; L93-F97 PolarHBondContact O-N 2.96Å; T94-F97 PolarHBondContact O-N 3.39Å; I95-F97 VanDerWaalsContact C-N 3.32Å; I95-F97 PolarHBondContact O-N 3.15Å; F97-V99 PolarHBondContact O-N 2.91Å; F97-E100 PolarHBondContact O-N 3.32Å; F97-I101 HydrophobicContact CD1-CG1 4.43Å; F97-I101 HydrophobicContact CD2-CG1 4.45Å; F97-I101 HydrophobicContact CE1-CG1 4.02Å; F97-I101 HydrophobicContact CE2-CD1 4.06Å; F97-I101 HydrophobicContact CE2-CG1 4.04Å; F97-I101 HydrophobicContact CZ-CD1 4.04Å; F97-I101 HydrophobicContact CZ-CG1 3.81Å; F97-I101 WeakPolarHBondContact O-CG1 3.29Å; F97-I101 PolarHBondContact O-N 2.94Å; F97-P214 HydrophobicContact CD2-CB 3.81Å; F97-P214 HydrophobicContact CE2-CB 3.77Å; F97-L218 HydrophobicContact CD2-CD2 4.32Å; F97-L218 HydrophobicContact CD2-CG 4.4Å; F97-L218 HydrophobicContact CE1-CD2 4.48Å; F97-L218 HydrophobicContact CE2-CD1 4.14Å; F97-L218 HydrophobicContact CE2-CD2 4.07Å; F97-L218 HydrophobicContact CE2-CG 4.03Å; F97-L218 HydrophobicContact CZ-CD1 4.36Å; F97-L218 HydrophobicContact CZ-CD2 4.16Å; F97-L218 HydrophobicContact CZ-CG 4.47Å
98G94.5Very high94.3Very high38 Ų3855 Ų5539%0.39233%0.326SS..Hα-helixtrans-59-43.8175.800000113.2T94 I95 M96 E100 I101 A102T94-G98 PolarHBondContact O-N 3.35Å; I95-G98 PolarHBondContact O-N 3.41Å; I95-G98 VanDerWaalsContact O-N 3.15Å; M96-G98 VanDerWaalsContact C-N 3.34Å; M96-G98 PolarHBondContact O-N 2.89Å; G98-E100 VanDerWaalsContact C-N 3.35Å; G98-E100 PolarHBondContact O-N 3.39Å; G98-I101 PolarHBondContact O-N 3.14Å; G98-A102 WeakPolarHBondContact O-CB 3.25Å; G98-A102 PolarHBondContact O-N 3.45Å
99V94.4Very high94.2Very high85 Ų8557.7 Ų57.752%0.51534%0.342SS..Hα-helixtrans-63.5-39.8176.9173.20000111.6I95 M96 F97 A102 T103I95-V99 WeakPolarHBondContact O-CG2 3.38Å; I95-V99 PolarHBondContact O-N 3.06Å; M96-V99 PolarHBondContact O-N 2.88Å; F97-V99 PolarHBondContact O-N 2.91Å; V99-A102 PolarHBondContact O-N 3.42Å; V99-T103 WeakPolarHBondContact O-CB 3.47Å; V99-T103 PolarHBondContact O-N 3.23Å; V99-T103 PolarHBondContact O-OG1 2.86Å
100E93.3Very high94Very high47 Ų4763.3 Ų63.322%0.2237%0.367CS..Hα-helixtrans-66.9-43.7178.2-73.1174.4171.500112.1M96 F97 G98 A102 T103 A104 P214 K217M96-E100 WeakPolarHBondContact O-CG 3.45Å; M96-E100 PolarHBondContact O-N 3.33Å; F97-E100 PolarHBondContact O-N 3.32Å; G98-E100 VanDerWaalsContact C-N 3.35Å; G98-E100 PolarHBondContact O-N 3.39Å; E100-A102 VanDerWaalsContact C-N 3.35Å; E100-A102 PolarHBondContact O-N 3.4Å; E100-T103 PolarHBondContact O-N 2.54Å; E100-A104 VanDerWaalsContact O-CB 3.3Å; E100-A104 WeakPolarHBondContact O-CB 3.35Å; E100-A104 PolarHBondContact O-N 2.94Å; E100-P214 HydrophobicContact CB-CG 3.93Å; E100-P214 WeakPolarHBondContact OE2-CD 3.4Å; E100-P214 WeakPolarHBondContact OE2-CG 3.45Å; E100-K217 WeakPolarHBondContact OE1-CE 3.31Å; E100-K217 IonicContact OE1-NZ 2.54Å; E100-K217 PolarHBondContact OE1-NZ 2.99Å; E100-K217 WeakPolarHBondContact OE2-CE 3.01Å; E100-K217 IonicContact OE2-NZ 2.78Å; E100-K217 PolarHBondContact OE2-NZ 2.89Å
101I93Very high93.8Very high71 Ų7165.6 Ų65.636%0.36438%0.375SS..Hα-helixtrans-62.6-43175.3-63.3-56.4000110.9F97 G98 A104 A105 M211 P214F97-I101 HydrophobicContact CD1-CG1 4.43Å; F97-I101 HydrophobicContact CD2-CG1 4.45Å; F97-I101 HydrophobicContact CE1-CG1 4.02Å; F97-I101 HydrophobicContact CE2-CD1 4.06Å; F97-I101 HydrophobicContact CE2-CG1 4.04Å; F97-I101 HydrophobicContact CZ-CD1 4.04Å; F97-I101 HydrophobicContact CZ-CG1 3.81Å; F97-I101 WeakPolarHBondContact O-CG1 3.29Å; F97-I101 PolarHBondContact O-N 2.94Å; G98-I101 PolarHBondContact O-N 3.14Å; I101-A104 PolarHBondContact O-N 3.24Å; I101-A105 WeakPolarHBondContact O-CB 3.49Å; I101-A105 PolarHBondContact O-N 3.43Å; I101-M211 HydrophobicContact CD1-CE 4.02Å; I101-P214 HydrophobicContact CD1-CB 4.49Å
102A94.3Very high93.6Very high51 Ų5165.1 Ų65.142%0.42138%0.377SS..Hα-helixtrans-62.9-44.7176.100000111.9G98 V99 E100 A104 A105 L106G98-A102 WeakPolarHBondContact O-CB 3.25Å; G98-A102 PolarHBondContact O-N 3.45Å; V99-A102 PolarHBondContact O-N 3.42Å; E100-A102 VanDerWaalsContact C-N 3.35Å; E100-A102 PolarHBondContact O-N 3.4Å; A102-A104 PolarHBondContact O-N 2.92Å; A102-A105 PolarHBondContact O-N 3.35Å; A102-L106 VanDerWaalsContact O-CG 3.32Å; A102-L106 WeakPolarHBondContact O-CG 3.48Å; A102-L106 PolarHBondContact O-N 2.72Å
103T92.6Very high93.4Very high74 Ų7465.8 Ų65.845%0.45438%0.376SS..Hα-helixtrans-61.9-44.8177.1-570000111V99 E100 L106 C107V99-T103 WeakPolarHBondContact O-CB 3.47Å; V99-T103 PolarHBondContact O-N 3.23Å; V99-T103 PolarHBondContact O-OG1 2.86Å; E100-T103 PolarHBondContact O-N 2.54Å; T103-L106 PolarHBondContact O-N 2.78Å; T103-C107 WeakPolarHBondContact O-CB 3.4Å; T103-C107 PolarHBondContact O-N 2.85Å; T103-C107 PolarHBondContact O-SG 2.95Å
104A91.4Very high93.2Very high12 Ų1266.9 Ų66.910%0.09938%0.383CS..Hα-helixtrans-61.6-44.917700000112.3E100 I101 A102 L106 C107 L108 M211E100-A104 VanDerWaalsContact O-CB 3.3Å; E100-A104 WeakPolarHBondContact O-CB 3.35Å; E100-A104 PolarHBondContact O-N 2.94Å; I101-A104 PolarHBondContact O-N 3.24Å; A102-A104 PolarHBondContact O-N 2.92Å; A104-L106 PolarHBondContact O-N 3.2Å; A104-C107 PolarHBondContact O-N 3.24Å; A104-L108 WeakPolarHBondContact O-CG 3.28Å; A104-L108 PolarHBondContact O-N 3.13Å; A104-M211 HydrophobicContact CB-CE 3.75Å; A104-M211 HydrophobicContact CB-SD 3.28Å; A104-M211 WeakPolarHBondContact CB-SD 3.35Å
105A92.6Very high92.9Very high49 Ų4964.6 Ų64.641%0.40537%0.367SS..Hα-helixtrans-59.7-45.7175.700000111.4I101 A102 L108 V109I101-A105 WeakPolarHBondContact O-CB 3.49Å; I101-A105 PolarHBondContact O-N 3.43Å; A102-A105 PolarHBondContact O-N 3.35Å; A105-L108 PolarHBondContact O-N 3.1Å; A105-V109 WeakPolarHBondContact O-CB 3.48Å; A105-V109 VanDerWaalsContact O-CG2 3.28Å; A105-V109 WeakPolarHBondContact O-CG2 3.31Å; A105-V109 PolarHBondContact O-N 3.3Å
106L93.1Very high92.7Very high102 Ų10264.9 Ų64.953%0.53436%0.361SS..Hα-helixtrans-63-43.1176.3-69.5171.9000112.2A102 T103 A104 L108 V109 F110A102-L106 VanDerWaalsContact O-CG 3.32Å; A102-L106 WeakPolarHBondContact O-CG 3.48Å; A102-L106 PolarHBondContact O-N 2.72Å; T103-L106 PolarHBondContact O-N 2.78Å; A104-L106 PolarHBondContact O-N 3.2Å; L106-L108 VanDerWaalsContact C-N 3.3Å; L106-L108 PolarHBondContact O-N 3.22Å; L106-V109 PolarHBondContact O-N 2.62Å; L106-F110 HydrophobicContact CD2-CD2 4.28Å; L106-F110 HydrophobicContact CD2-CE2 3.94Å; L106-F110 WeakPolarHBondContact O-CB 3.44Å; L106-F110 WeakPolarHBondContact O-CD2 3.21Å; L106-F110 PolarHBondContact O-N 3.29Å
107C90.9Very high92.4Very high37 Ų3769.8 Ų69.825%0.2538%0.379CS..Hα-helixtrans-61.6-37176.1-74.30000112.4T103 A104 F110 K111T103-C107 WeakPolarHBondContact O-CB 3.4Å; T103-C107 PolarHBondContact O-N 2.85Å; T103-C107 PolarHBondContact O-SG 2.95Å; A104-C107 PolarHBondContact O-N 3.24Å; C107-F110 CarbonylContact O-C 3.44Å; C107-K111 WeakPolarHBondContact O-CA 3.43Å; C107-K111 PolarHBondContact O-N 2.99Å
108L90.5Very high92.2Very high95 Ų9569.9 Ų69.950%0.49738%0.382SS..Hα-helixtrans-73.8-44.1177.3-70.8174.4000112.2A104 A105 L106 K111 I207A104-L108 WeakPolarHBondContact O-CG 3.28Å; A104-L108 PolarHBondContact O-N 3.13Å; A105-L108 PolarHBondContact O-N 3.1Å; L106-L108 VanDerWaalsContact C-N 3.3Å; L106-L108 PolarHBondContact O-N 3.22Å; L108-K111 WeakPolarHBondContact O-CB 3.46Å; L108-K111 PolarHBondContact O-N 3.08Å; L108-I207 HydrophobicContact CD2-CD1 4.08Å; L108-I207 HydrophobicContact CD2-CG2 4.43Å
109V94.6Very high92Very high111 Ų11168.9 Ų68.967%0.67337%0.367SS*.Hα-helixtrans-63.2-43.9177170.20000110.8A105 L106A105-V109 WeakPolarHBondContact O-CB 3.48Å; A105-V109 VanDerWaalsContact O-CG2 3.28Å; A105-V109 WeakPolarHBondContact O-CG2 3.31Å; A105-V109 PolarHBondContact O-N 3.3Å; L106-V109 PolarHBondContact O-N 2.62Å
110F93.7Very high91.6Very high119 Ų11969 Ų6952%0.52236%0.362SS..THydrogen-bonded Turntrans-100.735.9179.3-60.4-67.3000112.4L106 C107 V112 E113 T114L106-F110 HydrophobicContact CD2-CD2 4.28Å; L106-F110 HydrophobicContact CD2-CE2 3.94Å; L106-F110 WeakPolarHBondContact O-CB 3.44Å; L106-F110 WeakPolarHBondContact O-CD2 3.21Å; L106-F110 PolarHBondContact O-N 3.29Å; C107-F110 CarbonylContact O-C 3.44Å; F110-V112 PolarHBondContact O-N 3.49Å; F110-E113 HydrophobicContact CB-CB 4.29Å; F110-E113 PolarHBondContact O-N 3.16Å; F110-T114 WeakPolarHBondContact O-CB 3.44Å; F110-T114 PolarHBondContact O-N 3.49Å; F110-T114 PolarHBondContact O-OG1 2.93Å
111K91.6Very high91.1Very high65 Ų6568 Ų6828%0.28336%0.362SS..Hα-helixtrans-50.9-54.2-176.7167.8169.2178.4-171.80112.9C107 L108 E113 T114 E115 F203 L204C107-K111 WeakPolarHBondContact O-CA 3.43Å; C107-K111 PolarHBondContact O-N 2.99Å; L108-K111 WeakPolarHBondContact O-CB 3.46Å; L108-K111 PolarHBondContact O-N 3.08Å; K111-E113 VanDerWaalsContact C-N 3.3Å; K111-E113 PolarHBondContact O-N 3Å; K111-T114 PolarHBondContact O-N 2.95Å; K111-E115 WeakPolarHBondContact CE-OE1 3.3Å; K111-E115 IonicContact NZ-OE1 3.82Å; K111-E115 WeakPolarHBondContact O-CG 3.24Å; K111-E115 PolarHBondContact O-N 2.86Å; K111-F203 HydrophobicContact CB-CE1 4.23Å; K111-F203 HydrophobicContact CD-CD1 4.18Å; K111-F203 HydrophobicContact CD-CE1 4.1Å; K111-F203 HydrophobicContact CG-CD1 4.02Å; K111-F203 HydrophobicContact CG-CE1 3.6Å; K111-F203 HydrophobicContact CG-CZ 4.48Å; K111-L204 HydrophobicContact CD-CD2 4.35Å
112V92.1Very high90.8Very high95 Ų9567.5 Ų67.558%0.57636%0.359SS*.Hα-helixtrans-63-36.9-177.1178.10000111.9F110 R116F110-V112 PolarHBondContact O-N 3.49Å; V112-R116 WeakPolarHBondContact O-CB 3.28Å; V112-R116 WeakPolarHBondContact O-CG 3.43Å; V112-R116 PolarHBondContact O-N 2.79Å; V112-R116 VanDerWaalsContact O-N 3.11Å; V112-R116 PolarHBondContact O-NE 3.43Å
113E92.7Very high90.3Very high53 Ų5366.7 Ų66.725%0.24835%0.347CS..Hα-helixtrans-71.4-40.2177.1179.864.7-153.200111.2F110 K111 R116 R117F110-E113 HydrophobicContact CB-CB 4.29Å; F110-E113 PolarHBondContact O-N 3.16Å; K111-E113 VanDerWaalsContact C-N 3.3Å; K111-E113 PolarHBondContact O-N 3Å; E113-R116 PolarHBondContact O-N 3.48Å; E113-R116 IonicContact OE2-CZ 3.02Å; E113-R116 IonicContact OE2-NH1 2.72Å; E113-R116 PolarHBondContact OE2-NH1 3.21Å; E113-R116 IonicContact OE2-NH2 2.66Å; E113-R116 PolarHBondContact OE2-NH2 3.44Å; E113-R117 VanDerWaalsContact O-CG 3.3Å; E113-R117 WeakPolarHBondContact O-CG 3.34Å; E113-R117 PolarHBondContact O-N 3.27Å; E113-R117 IonicContact OE1-CZ 3.55Å; E113-R117 IonicContact OE1-NE 3.1Å; E113-R117 PolarHBondContact OE1-NE 3.47Å; E113-R117 IonicContact OE1-NH2 3.11Å; E113-R117 PolarHBondContact OE1-NH2 3.05Å
114T91Very high89.7Confident32 Ų3264.1 Ų64.120%0.19633%0.331CS..Hα-helixtrans-65.1-46.5177.7-54.30000110.9F110 K111 R116 R117 I118 F203F110-T114 WeakPolarHBondContact O-CB 3.44Å; F110-T114 PolarHBondContact O-N 3.49Å; F110-T114 PolarHBondContact O-OG1 2.93Å; K111-T114 PolarHBondContact O-N 2.95Å; T114-R116 VanDerWaalsContact C-N 3.35Å; T114-R116 PolarHBondContact O-N 3.26Å; T114-R117 PolarHBondContact O-N 2.98Å; T114-I118 HydrophobicContact CG2-CD1 4.14Å; T114-I118 WeakPolarHBondContact O-CG1 3.35Å; T114-I118 PolarHBondContact O-N 2.81Å; T114-F203 HydrophobicContact CG2-CE2 3.89Å; T114-F203 HydrophobicContact CG2-CZ 3.86Å
115E91.1Very high89Confident25 Ų2565.2 Ų65.212%0.11733%0.334CS..Hα-helixtrans-55.9-48.4173-75.6175.9-174.200111.2K111 R117 I118 I119 F203K111-E115 WeakPolarHBondContact CE-OE1 3.3Å; K111-E115 IonicContact NZ-OE1 3.82Å; K111-E115 WeakPolarHBondContact O-CG 3.24Å; K111-E115 PolarHBondContact O-N 2.86Å; E115-R117 VanDerWaalsContact C-N 3.31Å; E115-R117 PolarHBondContact O-N 3.44Å; E115-I118 PolarHBondContact O-N 2.77Å; E115-I119 WeakPolarHBondContact O-CB 3.42Å; E115-I119 WeakPolarHBondContact O-CG1 3.22Å; E115-I119 PolarHBondContact O-N 3.04Å; E115-F203 HydrophobicContact CG-CB 4.19Å; E115-F203 HydrophobicContact CG-CD1 3.91Å; E115-F203 HydrophobicContact CG-CD2 3.6Å; E115-F203 HydrophobicContact CG-CE1 4.13Å; E115-F203 HydrophobicContact CG-CE2 3.85Å; E115-F203 HydrophobicContact CG-CG 3.63Å; E115-F203 HydrophobicContact CG-CZ 4.1Å; E115-F203 WeakPolarHBondContact OE1-CD1 3.26Å
116R91.2Very high88.5Confident114 Ų11462.9 Ų62.943%0.4332%0.315SS..Hα-helixtrans-59.4-40.3176.9-80.3-171.8-76.7114.3-0.8112.3V112 E113 T114 I119 Q120V112-R116 WeakPolarHBondContact O-CB 3.28Å; V112-R116 WeakPolarHBondContact O-CG 3.43Å; V112-R116 PolarHBondContact O-N 2.79Å; V112-R116 VanDerWaalsContact O-N 3.11Å; V112-R116 PolarHBondContact O-NE 3.43Å; E113-R116 PolarHBondContact O-N 3.48Å; E113-R116 IonicContact OE2-CZ 3.02Å; E113-R116 IonicContact OE2-NH1 2.72Å; E113-R116 PolarHBondContact OE2-NH1 3.21Å; E113-R116 IonicContact OE2-NH2 2.66Å; E113-R116 PolarHBondContact OE2-NH2 3.44Å; T114-R116 VanDerWaalsContact C-N 3.35Å; T114-R116 PolarHBondContact O-N 3.26Å; R116-I119 PolarHBondContact O-N 3.44Å; R116-Q120 WeakPolarHBondContact O-CB 3.42Å; R116-Q120 WeakPolarHBondContact O-CG 3.39Å; R116-Q120 PolarHBondContact O-N 2.74Å
117R87.8Confident87.7Confident128 Ų12862.3 Ų62.348%0.48331%0.311SS..Hα-helixtrans-67.4-41.4178-74173.7-173.5-98.3-7.3112.7E113 T114 E115 Q120 A121E113-R117 VanDerWaalsContact O-CG 3.3Å; E113-R117 WeakPolarHBondContact O-CG 3.34Å; E113-R117 PolarHBondContact O-N 3.27Å; E113-R117 IonicContact OE1-CZ 3.55Å; E113-R117 IonicContact OE1-NE 3.1Å; E113-R117 PolarHBondContact OE1-NE 3.47Å; E113-R117 IonicContact OE1-NH2 3.11Å; E113-R117 PolarHBondContact OE1-NH2 3.05Å; T114-R117 PolarHBondContact O-N 2.98Å; E115-R117 VanDerWaalsContact C-N 3.31Å; E115-R117 PolarHBondContact O-N 3.44Å; R117-Q120 PolarHBondContact O-N 3.49Å; R117-A121 WeakPolarHBondContact O-CB 3.32Å; R117-A121 PolarHBondContact O-N 3.07Å
118I89Confident86.6Confident65 Ų6563.2 Ų63.233%0.33331%0.309SS..Hα-helixtrans-63.4-47.4175.9-67168.9000109.8T114 E115 Q120 A121 L122 V199 F203T114-I118 HydrophobicContact CG2-CD1 4.14Å; T114-I118 WeakPolarHBondContact O-CG1 3.35Å; T114-I118 PolarHBondContact O-N 2.81Å; E115-I118 PolarHBondContact O-N 2.77Å; I118-Q120 PolarHBondContact O-N 3.29Å; I118-A121 PolarHBondContact O-N 3.19Å; I118-L122 HydrophobicContact CG2-CD1 3.84Å; I118-L122 HydrophobicContact CG2-CG 4.46Å; I118-L122 WeakPolarHBondContact O-CG 3.4Å; I118-L122 PolarHBondContact O-N 3.4Å; I118-V199 HydrophobicContact CB-CG1 4.32Å; I118-V199 HydrophobicContact CG2-CG1 4.01Å; I118-V199 HydrophobicContact CG2-CG2 3.84Å; I118-F203 HydrophobicContact CD1-CD2 4.14Å; I118-F203 HydrophobicContact CD1-CE2 3.74Å
119I90.5Very high85.7Confident17 Ų1759.3 Ų59.39%0.08729%0.288CS..Hα-helixtrans-55.8-51.6175.3-76.9170000110.6E115 R116 A121 L122 E123 N196 V199 K200E115-I119 WeakPolarHBondContact O-CB 3.42Å; E115-I119 WeakPolarHBondContact O-CG1 3.22Å; E115-I119 PolarHBondContact O-N 3.04Å; R116-I119 PolarHBondContact O-N 3.44Å; I119-A121 VanDerWaalsContact C-N 3.31Å; I119-A121 PolarHBondContact O-N 2.65Å; I119-L122 PolarHBondContact O-N 3.43Å; I119-E123 HydrophobicContact CG2-CG 4.16Å; I119-E123 WeakPolarHBondContact O-CB 3.26Å; I119-E123 VanDerWaalsContact O-CG 3.32Å; I119-E123 WeakPolarHBondContact O-CG 3.31Å; I119-E123 PolarHBondContact O-N 3.38Å; I119-N196 HydrophobicContact CD1-CB 4.41Å; I119-N196 WeakPolarHBondContact CG1-OD1 3.29Å; I119-N196 WeakPolarHBondContact CG2-OD1 3.38Å; I119-V199 HydrophobicContact CD1-CB 4.47Å; I119-V199 HydrophobicContact CD1-CG1 4.34Å; I119-V199 HydrophobicContact CG1-CB 4.02Å; I119-V199 HydrophobicContact CG1-CG1 3.96Å; I119-V199 HydrophobicContact CG1-CG2 4.31Å; I119-K200 HydrophobicContact CD1-CG 4.41Å
120Q86.3Confident84.2Confident86 Ų8661.4 Ų61.440%0.40229%0.288SS..Hα-helixtrans-59.4-40.5179-75.8171.6-5.900112.5R116 R117 I118 E123 N124R116-Q120 WeakPolarHBondContact O-CB 3.42Å; R116-Q120 WeakPolarHBondContact O-CG 3.39Å; R116-Q120 PolarHBondContact O-N 2.74Å; R117-Q120 PolarHBondContact O-N 3.49Å; I118-Q120 PolarHBondContact O-N 3.29Å; Q120-E123 PolarHBondContact O-N 3.01Å; Q120-N124 WeakPolarHBondContact O-CB 3.21Å; Q120-N124 PolarHBondContact O-N 3.24Å; Q120-N124 PolarHBondContact O-ND2 2.94Å; Q120-N124 VanDerWaalsContact O-ND2 3.14Å
121A83.3Confident82.4Confident27 Ų2759.8 Ų59.822%0.22329%0.285CS..Hα-helixtrans-63.8-43.7177.200000111.9M53 R117 I118 I119 N124 I125M53-A121 HydrophobicContact SD-CB 4.33Å; R117-A121 WeakPolarHBondContact O-CB 3.32Å; R117-A121 PolarHBondContact O-N 3.07Å; I118-A121 PolarHBondContact O-N 3.19Å; I119-A121 VanDerWaalsContact C-N 3.31Å; I119-A121 PolarHBondContact O-N 2.65Å; A121-N124 PolarHBondContact O-N 3.2Å; A121-I125 WeakPolarHBondContact O-CG1 3.42Å; A121-I125 PolarHBondContact O-N 3.34Å
122L86.2Confident80.5Confident60 Ų6058.5 Ų58.531%0.31428%0.28SS..Hα-helixtrans-70.7-37.5177.3-65.9170.1000112.1I118 I119 N124 I125 I126 I195 V199I118-L122 HydrophobicContact CG2-CD1 3.84Å; I118-L122 HydrophobicContact CG2-CG 4.46Å; I118-L122 WeakPolarHBondContact O-CG 3.4Å; I118-L122 PolarHBondContact O-N 3.4Å; I119-L122 PolarHBondContact O-N 3.43Å; L122-N124 VanDerWaalsContact C-N 3.34Å; L122-N124 PolarHBondContact O-N 3.3Å; L122-I125 HydrophobicContact CD2-CD1 4.49Å; L122-I125 WeakPolarHBondContact O-CB 3.43Å; L122-I125 PolarHBondContact O-N 3.31Å; L122-I125 VanDerWaalsContact O-N 3.13Å; L122-I126 PolarHBondContact O-N 3.48Å; L122-I126 VanDerWaalsContact O-N 3.08Å; L122-I195 HydrophobicContact CB-CD1 4.37Å; L122-I195 HydrophobicContact CB-CG2 3.57Å; L122-I195 HydrophobicContact CD1-CG2 3.59Å; L122-I195 HydrophobicContact CG-CG2 4.21Å; L122-V199 HydrophobicContact CD1-CG2 3.66Å
123E84.4Confident78.5Confident34 Ų3457.2 Ų57.216%0.15928%0.275CS..Hα-helixtrans-61-42.3173.6-76.1-171.3178.500111.4I119 Q120 I125 I126 M127 K192 N196I119-E123 HydrophobicContact CG2-CG 4.16Å; I119-E123 WeakPolarHBondContact O-CB 3.26Å; I119-E123 VanDerWaalsContact O-CG 3.32Å; I119-E123 WeakPolarHBondContact O-CG 3.31Å; I119-E123 PolarHBondContact O-N 3.38Å; Q120-E123 PolarHBondContact O-N 3.01Å; E123-I125 PolarHBondContact O-N 2.97Å; E123-I126 WeakPolarHBondContact O-CG1 3.36Å; E123-I126 PolarHBondContact O-N 2.98Å; E123-M127 WeakPolarHBondContact O-CB 3.3Å; E123-M127 VanDerWaalsContact O-CG 3.25Å; E123-M127 WeakPolarHBondContact O-CG 3.29Å; E123-M127 PolarHBondContact O-N 2.79Å; E123-K192 HydrophobicContact CG-CG 4.1Å; E123-K192 WeakPolarHBondContact OE1-CE 3.12Å; E123-K192 WeakPolarHBondContact OE1-CG 3.5Å; E123-K192 IonicContact OE1-NZ 3.98Å; E123-K192 WeakPolarHBondContact OE2-CE 3.32Å; E123-K192 IonicContact OE2-NZ 3.86Å; E123-N196 PolarHBondContact OE1-ND2 3.23Å; E123-N196 PolarHBondContact OE1-OD1 2.87Å
124N78.9Confident76.3Confident21 Ų2161 Ų6111%0.11230%0.301CS..Hα-helixtrans-61.7-29.3175.2-73.7-27.9000113.3Q120 A121 L122 M127Q120-N124 WeakPolarHBondContact O-CB 3.21Å; Q120-N124 PolarHBondContact O-N 3.24Å; Q120-N124 PolarHBondContact O-ND2 2.94Å; Q120-N124 VanDerWaalsContact O-ND2 3.14Å; A121-N124 PolarHBondContact O-N 3.2Å; L122-N124 VanDerWaalsContact C-N 3.34Å; L122-N124 PolarHBondContact O-N 3.3Å; N124-M127 HydrophobicContact CB-CE 4.45Å; N124-M127 WeakPolarHBondContact OD1-CE 3.47Å
125I77.6Confident74Confident34 Ų3464.4 Ų64.417%0.17432%0.319CS..Hα-helixtrans-73.8-50176.5-71.3168.6000110.2A121 L122 E123 M127 R128 Y144 I148A121-I125 WeakPolarHBondContact O-CG1 3.42Å; A121-I125 PolarHBondContact O-N 3.34Å; L122-I125 HydrophobicContact CD2-CD1 4.49Å; L122-I125 WeakPolarHBondContact O-CB 3.43Å; L122-I125 PolarHBondContact O-N 3.31Å; L122-I125 VanDerWaalsContact O-N 3.13Å; E123-I125 PolarHBondContact O-N 2.97Å; I125-M127 PolarHBondContact O-N 2.95Å; I125-R128 WeakPolarHBondContact O-CB 3.28Å; I125-R128 PolarHBondContact O-N 3.1Å; I125-Y144 HydrophobicContact CG2-CE1 3.37Å; I125-Y144 VanDerWaalsContact CG2-OH 3.23Å; I125-Y144 WeakPolarHBondContact CG2-OH 3.32Å; I125-I148 HydrophobicContact CG2-CD1 4.42Å
126I81.6Confident72Confident1 Ų172.3 Ų72.31%0.00536%0.355CS..Hα-helixtrans-70.9-28.4-179.662.8172.7000113.4L122 E123 R128 F129 I148 I157 C191 K192 I195L122-I126 PolarHBondContact O-N 3.48Å; L122-I126 VanDerWaalsContact O-N 3.08Å; E123-I126 WeakPolarHBondContact O-CG1 3.36Å; E123-I126 PolarHBondContact O-N 2.98Å; I126-R128 PolarHBondContact O-N 3.2Å; I126-F129 HydrophobicContact CB-CD2 4.34Å; I126-F129 HydrophobicContact CB-CE2 4.03Å; I126-F129 HydrophobicContact CB-CZ 4.21Å; I126-F129 HydrophobicContact CG2-CE2 4.09Å; I126-F129 HydrophobicContact CG2-CZ 4.01Å; I126-F129 VanDerWaalsContact O-CB 3.32Å; I126-F129 WeakPolarHBondContact O-CB 2.83Å; I126-F129 WeakPolarHBondContact O-CG 2.97Å; I126-F129 PolarHBondContact O-N 3.07Å; I126-I148 HydrophobicContact CG2-CD1 4.36Å; I126-I157 HydrophobicContact CD1-CG2 4.16Å; I126-I157 WeakPolarHBondContact O-CG1 3.43Å; I126-C191 HydrophobicContact CG2-CB 4.48Å; I126-K192 HydrophobicContact CD1-CB 3.57Å; I126-K192 HydrophobicContact CD1-CG 4.22Å; I126-I195 HydrophobicContact CD1-CD1 4.3Å; I126-I195 HydrophobicContact CG2-CD1 3.54Å
127M75.9Confident70Confident90 Ų9071.9 Ų71.944%0.44336%0.361SS..G310 helixtrans-60.4-15.6177.6-81.2-169.3-65.900112.7E123 N124 I125 F129E123-M127 WeakPolarHBondContact O-CB 3.3Å; E123-M127 VanDerWaalsContact O-CG 3.25Å; E123-M127 WeakPolarHBondContact O-CG 3.29Å; E123-M127 PolarHBondContact O-N 2.79Å; N124-M127 HydrophobicContact CB-CE 4.45Å; N124-M127 WeakPolarHBondContact OD1-CE 3.47Å; I125-M127 PolarHBondContact O-N 2.95Å; M127-F129 VanDerWaalsContact C-N 3.28Å; M127-F129 PolarHBondContact O-N 3.38Å
128R68.9Low68.2Low55 Ų5570.3 Ų70.321%0.20836%0.358CS..G310 helixtrans-71.7-21174.9-60-176-170.9156.53.3113.6A43 I125 I126 K130 N131A43-R128 PolarHBondContact O-NH2 3.33Å; I125-R128 WeakPolarHBondContact O-CB 3.28Å; I125-R128 PolarHBondContact O-N 3.1Å; I126-R128 PolarHBondContact O-N 3.2Å; R128-K130 PolarHBondContact O-N 3.22Å; R128-N131 PolarHBondContact O-N 3.07Å; R128-N131 VanDerWaalsContact O-N 3.15Å
129F70.5Confident66.8Low14 Ų1473.6 Ų73.66%0.06138%0.377CS..G310 helixtrans-55.8-28177-61.5-8.7000113I126 M127 Y144 R145 I148 I157I126-F129 HydrophobicContact CB-CD2 4.34Å; I126-F129 HydrophobicContact CB-CE2 4.03Å; I126-F129 HydrophobicContact CB-CZ 4.21Å; I126-F129 HydrophobicContact CG2-CE2 4.09Å; I126-F129 HydrophobicContact CG2-CZ 4.01Å; I126-F129 VanDerWaalsContact O-CB 3.32Å; I126-F129 WeakPolarHBondContact O-CB 2.83Å; I126-F129 WeakPolarHBondContact O-CG 2.97Å; I126-F129 PolarHBondContact O-N 3.07Å; M127-F129 VanDerWaalsContact C-N 3.28Å; M127-F129 PolarHBondContact O-N 3.38Å; F129-Y144 HydrophobicContact CE1-CD1 4.26Å; F129-R145 HydrophobicContact CB-CG 4.24Å; F129-R145 HydrophobicContact CD1-CB 3.69Å; F129-R145 HydrophobicContact CD1-CG 3.72Å; F129-R145 HydrophobicContact CD2-CG 3.87Å; F129-R145 VanDerWaalsContact CE1-CA 3.48Å; F129-R145 HydrophobicContact CE1-CB 3.73Å; F129-R145 HydrophobicContact CE1-CG 3.97Å; F129-R145 HydrophobicContact CE2-CG 4.08Å; F129-R145 HydrophobicContact CG-CB 4.2Å; F129-R145 HydrophobicContact CG-CG 3.68Å; F129-R145 HydrophobicContact CZ-CB 4.23Å; F129-R145 HydrophobicContact CZ-CG 4.13Å; F129-I148 HydrophobicContact CE1-CD1 4.11Å; F129-I148 HydrophobicContact CE2-CG2 4.3Å; F129-I148 HydrophobicContact CZ-CB 3.88Å; F129-I148 HydrophobicContact CZ-CD1 3.67Å; F129-I148 HydrophobicContact CZ-CG1 4.3Å; F129-I148 HydrophobicContact CZ-CG2 3.91Å; F129-I157 HydrophobicContact CB-CD1 4.32Å; F129-I157 HydrophobicContact CB-CG1 4.17Å; F129-I157 HydrophobicContact CD2-CG1 4.19Å
130K64.6Low65.2Low154 Ų15479.5 Ų79.567%0.6740%0.398SS*.G310 helixtrans-83.9-31.1-178.3177.8176.3166.4178.80114.2R128 S133 I157R128-K130 PolarHBondContact O-N 3.22Å; K130-S133 PolarHBondContact O-OG 2.96Å; K130-I157 HydrophobicContact CB-CD1 3.93Å
131N54.6Low64.1Low85 Ų8576.2 Ų76.246%0.45538%0.384SS..THydrogen-bonded Turntrans-89.8-15.6-169.6-78.3-12.5000113.6R128R128-N131 PolarHBondContact O-N 3.07Å; R128-N131 VanDerWaalsContact O-N 3.15Å
132E52.5Low63.5Low39 Ų3976.3 Ų76.318%0.18238%0.381CS..G310 helixtrans-98.5-6.4-169.7-138.4153168.300114V134 S141E132-V134 PolarHBondContact O-N 3.34Å; E132-V134 VanDerWaalsContact O-N 3.08Å; E132-S141 WeakPolarHBondContact OE1-CB 3.4Å; E132-S141 WeakPolarHBondContact OE2-CB 3.28Å; E132-S141 PolarHBondContact OE2-OG 2.85Å
133S49.3Very low63.1Low67 Ų6777.1 Ų77.147%0.46939%0.392SS..G310 helixtrans-67.3-1.9169.955.20000114K130K130-S133 PolarHBondContact O-OG 2.96Å
134V48.2Very low62.9Low132 Ų13280.5 Ų80.580%0.840%0.404SS*.G310 helixtrans-117.5-12.7-175.1-176.60000113E132E132-V134 PolarHBondContact O-N 3.34Å; E132-V134 VanDerWaalsContact O-N 3.08Å
135D41.7Very low63.2Low105 Ų10580.7 Ų80.756%0.56140%0.403SS*.SBendtrans-119149.5-170-139.2-8.8000113.1N137D135-N137 PolarHBondContact O-N 3.5Å
136E48.5Very low63.7Low191 Ų19181.2 Ų81.289%0.89341%0.406SS*.SBendtrans-63.2-2.7-164.6-68.5-179.2160.400116.4F138E136-F138 VanDerWaalsContact C-N 3.33Å; E136-F138 PolarHBondContact O-N 3.35Å
137N50.3Low64.1Low104 Ų10488.9 Ų88.956%0.55644%0.435SS*.  trans-95.636.9178.3-73.5-38.1000113.4L39 D135 D139L39-N137 HydrophobicContact CD2-CB 4.33Å; D135-N137 PolarHBondContact O-N 3.5Å; N137-D139 PolarHBondContact O-N 3.5Å
138F50.1Low64.8Low95 Ų9585 Ų8542%0.41742%0.416SS..Hα-helixtrans-53.3-41.9-167.1-144.2-97.5000114.7E136 R140 D142E136-F138 VanDerWaalsContact C-N 3.33Å; E136-F138 PolarHBondContact O-N 3.35Å; F138-R140 PolarHBondContact O-N 3.33Å; F138-D142 WeakPolarHBondContact CD1-OD2 3.36Å; F138-D142 WeakPolarHBondContact CE1-OD2 3.47Å; F138-D142 WeakPolarHBondContact O-CB 3.16Å; F138-D142 PolarHBondContact O-N 3.28Å
139D58.4Low66Low135 Ų13582.3 Ų82.372%0.72241%0.406SS*.Hα-helixtrans-68.7-38.9-167.1-68.3-22.2000114.9N137 S143N137-D139 PolarHBondContact O-N 3.5Å; D139-S143 PolarHBondContact O-N 3.23Å; D139-S143 PolarHBondContact O-OG 3.45Å
140R58.4Low67Low141 Ų14185.4 Ų85.453%0.53242%0.421SS..Hα-helixtrans-78.2-37.6-172.9-165.5177.7-55.9173.7-1.4112.3D37 L39 F138 S143 Y144D37-R140 IonicContact OD1-NH1 2.74Å; D37-R140 PolarHBondContact OD1-NH1 2.93Å; L39-R140 HydrophobicContact CD1-CB 3.78Å; L39-R140 HydrophobicContact CD1-CG 4.03Å; F138-R140 PolarHBondContact O-N 3.33Å; R140-S143 WeakPolarHBondContact O-CB 3.46Å; R140-S143 PolarHBondContact O-N 2.92Å; R140-Y144 PolarHBondContact O-N 2.85Å
141S61.8Low68.4Low16 Ų1680.7 Ų80.711%0.11241%0.407CS..Hα-helixtrans-74.9-37.1-179.6-170.80000112.8E132 S143 Y144 R145E132-S141 WeakPolarHBondContact OE1-CB 3.4Å; E132-S141 WeakPolarHBondContact OE2-CB 3.28Å; E132-S141 PolarHBondContact OE2-OG 2.85Å; S141-S143 PolarHBondContact O-N 3.32Å; S141-Y144 PolarHBondContact O-N 3.3Å; S141-Y144 VanDerWaalsContact O-N 3.09Å; S141-R145 WeakPolarHBondContact O-CB 3.23Å; S141-R145 PolarHBondContact O-N 3.42Å
142D70.5Confident70.2Confident29 Ų2979 Ų7916%0.15540%0.398CS..Hα-helixtrans-54.7-41.3170.3-83.2-2.3000110.7F138 Y144 R145 D146F138-D142 WeakPolarHBondContact CD1-OD2 3.36Å; F138-D142 WeakPolarHBondContact CE1-OD2 3.47Å; F138-D142 WeakPolarHBondContact O-CB 3.16Å; F138-D142 PolarHBondContact O-N 3.28Å; D142-Y144 PolarHBondContact O-N 2.89Å; D142-R145 PolarHBondContact O-N 3.37Å; D142-R145 IonicContact OD1-CZ 2.74Å; D142-R145 IonicContact OD1-NH1 2.77Å; D142-R145 PolarHBondContact OD1-NH1 3.39Å; D142-R145 VanDerWaalsContact OD1-NH1 3.11Å; D142-R145 IonicContact OD1-NH2 2.8Å; D142-R145 PolarHBondContact OD1-NH2 3.39Å; D142-R145 IonicContact OD2-NH2 3.16Å; D142-D146 WeakPolarHBondContact O-CB 3.38Å; D142-D146 PolarHBondContact O-N 2.93Å
143S78.2Confident72.3Confident77 Ų7781.9 Ų81.954%0.53841%0.411SS..Hα-helixtrans-61-41.9176.4-58.60000113.4D139 R140 S141 W147D139-S143 PolarHBondContact O-N 3.23Å; D139-S143 PolarHBondContact O-OG 3.45Å; R140-S143 WeakPolarHBondContact O-CB 3.46Å; R140-S143 PolarHBondContact O-N 2.92Å; S141-S143 PolarHBondContact O-N 3.32Å; S143-W147 WeakPolarHBondContact O-CB 3.33Å; S143-W147 PolarHBondContact O-N 3.04Å
144Y80.4Confident74.5Confident106 Ų10678.7 Ų78.742%0.41639%0.389SS..Hα-helixtrans-73.8-41.4-179.7-175.9-103.9000112.2I125 F129 R140 S141 D142 D146 W147 I148I125-Y144 HydrophobicContact CG2-CE1 3.37Å; I125-Y144 VanDerWaalsContact CG2-OH 3.23Å; I125-Y144 WeakPolarHBondContact CG2-OH 3.32Å; F129-Y144 HydrophobicContact CE1-CD1 4.26Å; R140-Y144 PolarHBondContact O-N 2.85Å; S141-Y144 PolarHBondContact O-N 3.3Å; S141-Y144 VanDerWaalsContact O-N 3.09Å; D142-Y144 PolarHBondContact O-N 2.89Å; Y144-D146 VanDerWaalsContact C-N 3.33Å; Y144-W147 HydrophobicContact CE2-CE3 4.41Å; Y144-W147 PolarHBondContact O-N 3.28Å; Y144-I148 HydrophobicContact CD1-CD1 3.81Å; Y144-I148 HydrophobicContact CD1-CG1 4.47Å; Y144-I148 HydrophobicContact CE1-CD1 3.14Å; Y144-I148 HydrophobicContact CE1-CG1 4.07Å; Y144-I148 HydrophobicContact CE2-CD1 4.25Å; Y144-I148 HydrophobicContact CE2-CG1 4.48Å; Y144-I148 VanDerWaalsContact CZ-CD1 3.41Å; Y144-I148 WeakPolarHBondContact O-CG1 3.36Å; Y144-I148 PolarHBondContact O-N 3.36Å
145R84.4Confident76.7Confident25 Ų2572.4 Ų72.49%0.09435%0.351CS..Hα-helixtrans-57-48.9172-179.8-176.775.1-155.6-9.7110.9F129 S141 D142 W147 I148 Q149 Y163F129-R145 HydrophobicContact CB-CG 4.24Å; F129-R145 HydrophobicContact CD1-CB 3.69Å; F129-R145 HydrophobicContact CD1-CG 3.72Å; F129-R145 HydrophobicContact CD2-CG 3.87Å; F129-R145 VanDerWaalsContact CE1-CA 3.48Å; F129-R145 HydrophobicContact CE1-CB 3.73Å; F129-R145 HydrophobicContact CE1-CG 3.97Å; F129-R145 HydrophobicContact CE2-CG 4.08Å; F129-R145 HydrophobicContact CG-CB 4.2Å; F129-R145 HydrophobicContact CG-CG 3.68Å; F129-R145 HydrophobicContact CZ-CB 4.23Å; F129-R145 HydrophobicContact CZ-CG 4.13Å; S141-R145 WeakPolarHBondContact O-CB 3.23Å; S141-R145 PolarHBondContact O-N 3.42Å; D142-R145 PolarHBondContact O-N 3.37Å; D142-R145 IonicContact OD1-CZ 2.74Å; D142-R145 IonicContact OD1-NH1 2.77Å; D142-R145 PolarHBondContact OD1-NH1 3.39Å; D142-R145 VanDerWaalsContact OD1-NH1 3.11Å; D142-R145 IonicContact OD1-NH2 2.8Å; D142-R145 PolarHBondContact OD1-NH2 3.39Å; D142-R145 IonicContact OD2-NH2 3.16Å; R145-W147 PolarHBondContact O-N 3.34Å; R145-I148 PolarHBondContact O-N 2.93Å; R145-Q149 WeakPolarHBondContact O-CB 3.38Å; R145-Q149 VanDerWaalsContact O-CG 3.3Å; R145-Q149 WeakPolarHBondContact O-CG 3.18Å; R145-Q149 PolarHBondContact O-N 3.09Å; R145-Y163 VanDerWaalsContact CD-OH 3.25Å; R145-Y163 WeakPolarHBondContact CD-OH 3.33Å; R145-Y163 PolarHBondContact NE-OH 3.34Å
146D89.2Confident79.1Confident45 Ų4567.5 Ų67.524%0.24133%0.325CS..Hα-helixtrans-64.9-40.8-178.8-74.5-9.6000111.8D142 Y144 Q149 Q150 S171D142-D146 WeakPolarHBondContact O-CB 3.38Å; D142-D146 PolarHBondContact O-N 2.93Å; Y144-D146 VanDerWaalsContact C-N 3.33Å; D146-Q149 PolarHBondContact O-N 2.98Å; D146-Q150 VanDerWaalsContact O-CB 3.28Å; D146-Q150 WeakPolarHBondContact O-CB 3.39Å; D146-Q150 PolarHBondContact O-N 3.42Å; D146-S171 WeakPolarHBondContact CA-OG 3.15Å; D146-S171 VanDerWaalsContact CB-CB 3.49Å; D146-S171 VanDerWaalsContact CG-OG 3.28Å; D146-S171 WeakPolarHBondContact O-CB 3.26Å; D146-S171 WeakPolarHBondContact OD1-CB 3.36Å; D146-S171 PolarHBondContact OD1-OG 3.17Å
147W88.8Confident81.1Confident161 Ų16159.3 Ų59.361%0.6129%0.287SS*.Hα-helixtrans-62.2-44.2174.8-179.482.5000112.6S143 Y144 R145 S151S143-W147 WeakPolarHBondContact O-CB 3.33Å; S143-W147 PolarHBondContact O-N 3.04Å; Y144-W147 HydrophobicContact CE2-CE3 4.41Å; Y144-W147 PolarHBondContact O-N 3.28Å; R145-W147 PolarHBondContact O-N 3.34Å; W147-S151 PolarHBondContact NE1-OG 3.48Å; W147-S151 WeakPolarHBondContact O-CB 3Å; W147-S151 PolarHBondContact O-N 3.39Å; W147-S151 PolarHBondContact O-OG 3.49Å
148I91.5Very high83.2Confident8 Ų859.6 Ų59.64%0.04129%0.288CS..Hα-helixtrans-62.7-49.4177.3-74.3-179.1000110.7I125 I126 F129 Y144 R145 Q150 S151 L152 C191I125-I148 HydrophobicContact CG2-CD1 4.42Å; I126-I148 HydrophobicContact CG2-CD1 4.36Å; F129-I148 HydrophobicContact CE1-CD1 4.11Å; F129-I148 HydrophobicContact CE2-CG2 4.3Å; F129-I148 HydrophobicContact CZ-CB 3.88Å; F129-I148 HydrophobicContact CZ-CD1 3.67Å; F129-I148 HydrophobicContact CZ-CG1 4.3Å; F129-I148 HydrophobicContact CZ-CG2 3.91Å; Y144-I148 HydrophobicContact CD1-CD1 3.81Å; Y144-I148 HydrophobicContact CD1-CG1 4.47Å; Y144-I148 HydrophobicContact CE1-CD1 3.14Å; Y144-I148 HydrophobicContact CE1-CG1 4.07Å; Y144-I148 HydrophobicContact CE2-CD1 4.25Å; Y144-I148 HydrophobicContact CE2-CG1 4.48Å; Y144-I148 VanDerWaalsContact CZ-CD1 3.41Å; Y144-I148 WeakPolarHBondContact O-CG1 3.36Å; Y144-I148 PolarHBondContact O-N 3.36Å; R145-I148 PolarHBondContact O-N 2.93Å; I148-Q150 VanDerWaalsContact C-N 3.29Å; I148-Q150 PolarHBondContact O-N 3.01Å; I148-S151 PolarHBondContact O-N 3.06Å; I148-L152 HydrophobicContact CG2-CD1 3.95Å; I148-L152 HydrophobicContact CG2-CG 4.42Å; I148-L152 WeakPolarHBondContact O-CB 3.49Å; I148-L152 PolarHBondContact O-N 3.26Å; I148-C191 HydrophobicContact CG2-CB 4.47Å
149Q93.1Very high85.3Confident0 Ų055.4 Ų55.40%027%0.272CS..Hα-helixtrans-59.9-43.2-177.4-73.3-178.5171.400111.2R145 D146 H153 C154 G156 Y163 S171 C172R145-Q149 WeakPolarHBondContact O-CB 3.38Å; R145-Q149 VanDerWaalsContact O-CG 3.3Å; R145-Q149 WeakPolarHBondContact O-CG 3.18Å; R145-Q149 PolarHBondContact O-N 3.09Å; D146-Q149 PolarHBondContact O-N 2.98Å; Q149-H153 WeakPolarHBondContact O-CA 3.46Å; Q149-H153 PolarHBondContact O-N 2.7Å; Q149-C154 WeakPolarHBondContact CA-O 3.41Å; Q149-C154 VanDerWaalsContact CB-O 3.24Å; Q149-C154 WeakPolarHBondContact CB-O 3.28Å; Q149-C154 WeakPolarHBondContact CG-O 3.33Å; Q149-C154 PolarHBondContact O-N 3.36Å; Q149-C154 VanDerWaalsContact O-N 3.16Å; Q149-G156 VanDerWaalsContact OE1-N 3.07Å; Q149-Y163 PolarHBondContact NE2-OH 3.2Å; Q149-Y163 PolarHBondContact OE1-OH 3.26Å; Q149-S171 PolarHBondContact NE2-OG 3.05Å; Q149-C172 PolarHBondContact NE2-SG 3.48Å
150Q92.3Very high86.9Confident79 Ų7951 Ų5137%0.36925%0.248SC..Hα-helixtrans-69-39.7177.4-169.163.456.300112.7D146 I148 H153D146-Q150 VanDerWaalsContact O-CB 3.28Å; D146-Q150 WeakPolarHBondContact O-CB 3.39Å; D146-Q150 PolarHBondContact O-N 3.42Å; I148-Q150 VanDerWaalsContact C-N 3.29Å; I148-Q150 PolarHBondContact O-N 3.01Å; Q150-H153 PolarHBondContact O-CE1 2.97Å; Q150-H153 PolarHBondContact O-ND1 2.84Å
151S93.3Very high88.5Confident55 Ų5550.2 Ų50.239%0.38525%0.254SS..Hα-helixtrans-77.7-32.7-175.6-59.60000113.2W147 I148W147-S151 PolarHBondContact NE1-OG 3.48Å; W147-S151 WeakPolarHBondContact O-CB 3Å; W147-S151 PolarHBondContact O-N 3.39Å; W147-S151 PolarHBondContact O-OG 3.49Å; I148-S151 PolarHBondContact O-N 3.06Å
152L94Very high89.8Confident49 Ų4952.9 Ų52.926%0.25727%0.267SS..Hα-helixtrans-103.22.1-179-61.6-174.2000113.1I148 C154 V194 I195 L198I148-L152 HydrophobicContact CG2-CD1 3.95Å; I148-L152 HydrophobicContact CG2-CG 4.42Å; I148-L152 WeakPolarHBondContact O-CB 3.49Å; I148-L152 PolarHBondContact O-N 3.26Å; L152-C154 VanDerWaalsContact C-N 3.29Å; L152-C154 PolarHBondContact O-N 2.89Å; L152-V194 HydrophobicContact CB-CG1 4.17Å; L152-I195 HydrophobicContact CD1-CD1 4.19Å; L152-I195 HydrophobicContact CD1-CG1 3.75Å; L152-L198 HydrophobicContact CD2-CD2 4.28Å
153H95.2Very high90.6Very high100 Ų10053 Ų5346%0.46327%0.265SS..THydrogen-bonded Turntrans52.347.8179.9-59.4-48000112.6Q149 Q150 Y187Q149-H153 WeakPolarHBondContact O-CA 3.46Å; Q149-H153 PolarHBondContact O-N 2.7Å; Q150-H153 PolarHBondContact O-CE1 2.97Å; Q150-H153 PolarHBondContact O-ND1 2.84Å; H153-Y187 HydrophobicContact CB-CD1 4.05Å; H153-Y187 HydrophobicContact CB-CE1 3.6Å; H153-Y187 HydrophobicContact CB-CE2 4.26Å; H153-Y187 AromaticContact CG-CZ 3.91Å; H153-Y187 AromaticContact ND1-CZ 3.46Å; H153-Y187 PolarHBondContact ND1-OH 2.74Å; H153-Y187 WeakPolarHBondContact O-CD1 3.4Å
154C95.8Very high91Very high0 Ų055 Ų550%028%0.277CS..  trans-130.1162.1-177.761.70000110.5Q149 L152 I189 C191 V194Q149-C154 WeakPolarHBondContact CA-O 3.41Å; Q149-C154 VanDerWaalsContact CB-O 3.24Å; Q149-C154 WeakPolarHBondContact CB-O 3.28Å; Q149-C154 WeakPolarHBondContact CG-O 3.33Å; Q149-C154 PolarHBondContact O-N 3.36Å; Q149-C154 VanDerWaalsContact O-N 3.16Å; L152-C154 VanDerWaalsContact C-N 3.29Å; L152-C154 PolarHBondContact O-N 2.89Å; C154-I189 WeakPolarHBondContact CA-O 3.23Å; C154-I189 HydrophobicContact CB-CG2 4.32Å; C154-C191 HydrophobicContact CB-CB 3.88Å; C154-C191 WeakPolarHBondContact CB-SG 3.15Å; C154-C191 WeakPolarHBondContact SG-CA 3.2Å; C154-C191 WeakPolarHBondContact SG-CB 3.36Å; C154-C191 CovalentContact SG-SG 2.04Å; C154-C191 PolarHBondContact SG-SG 3.5Å; C154-V194 HydrophobicContact CB-CG2 3.95Å
155C94.1Very high91.4Very high0 Ų052.6 Ų52.60%028%0.284CS..  trans-133.9127175.9-168.30000110.9G159 M160 C172 Y187 I189C155-G159 CarbonylContact O-C 2.93Å; C155-G159 WeakPolarHBondContact O-CA 3.09Å; C155-G159 PolarHBondContact O-N 3.03Å; C155-M160 HydrophobicContact CB-CB 4.3Å; C155-M160 PolarHBondContact O-N 3.28Å; C155-C172 WeakPolarHBondContact CA-SG 3.4Å; C155-C172 HydrophobicContact CB-CB 3.7Å; C155-C172 WeakPolarHBondContact CB-SG 3.26Å; C155-C172 WeakPolarHBondContact SG-CB 3.36Å; C155-C172 CovalentContact SG-SG 2.04Å; C155-C172 PolarHBondContact SG-SG 2.85Å; C155-Y187 WeakPolarHBondContact CB-O 3.38Å; C155-I189 PolarHBondContact N-O 2.95Å
156G91.9Very high91.6Very high2 Ų258.1 Ų58.12%0.02132%0.315CS..SBendtrans65.9-179-178.200000113.3Q149 C191Q149-G156 VanDerWaalsContact OE1-N 3.07Å; G156-C191 WeakPolarHBondContact O-CB 3.41Å; G156-C191 PolarHBondContact O-N 3.16Å; G156-C191 PolarHBondContact O-SG 2.6Å
157I92.3Very high91.6Very high18 Ų1859.4 Ų59.49%0.09233%0.325CS..SBendtrans-73.4-54.2179.1-61.2166.3000109.4I126 F129 K130 D162 G190 C191 K192I126-I157 HydrophobicContact CD1-CG2 4.16Å; I126-I157 WeakPolarHBondContact O-CG1 3.43Å; F129-I157 HydrophobicContact CB-CD1 4.32Å; F129-I157 HydrophobicContact CB-CG1 4.17Å; F129-I157 HydrophobicContact CD2-CG1 4.19Å; K130-I157 HydrophobicContact CB-CD1 3.93Å; I157-D162 VanDerWaalsContact CA-OD2 3.32Å; I157-D162 WeakPolarHBondContact CA-OD2 3.38Å; I157-D162 WeakPolarHBondContact CB-OD2 3.38Å; I157-D162 PolarHBondContact N-OD2 3.44Å; I157-G190 CarbonylContact O-C 3.58Å; I157-G190 WeakPolarHBondContact O-CA 3.36Å; I157-C191 PolarHBondContact O-N 3.29Å; I157-K192 HydrophobicContact CG2-CB 4.32Å; I157-K192 WeakPolarHBondContact O-CB 3.43Å; I157-K192 PolarHBondContact O-N 3.41Å
158N93.8Very high91.7Very high111 Ų11152.2 Ų52.259%0.59430%0.298SS*.SBendtrans-105.1-9.1-178-54.1-65.9000113.1D162 G190N158-D162 PolarHBondContact N-OD2 3.32Å; N158-G190 VanDerWaalsContact C-CA 3.47Å
159G93.7Very high91.7Very high7 Ų753.2 Ų53.27%0.07231%0.305CS..  trans148.2177.8177.400000112C155 N161 D162C155-G159 CarbonylContact O-C 2.93Å; C155-G159 WeakPolarHBondContact O-CA 3.09Å; C155-G159 PolarHBondContact O-N 3.03Å; G159-N161 PolarHBondContact O-N 3.25Å; G159-D162 WeakPolarHBondContact O-CB 3.25Å; G159-D162 PolarHBondContact O-N 2.87Å
160M91.5Very high91.6Very high42 Ų4257.5 Ų57.521%0.20734%0.335CS..G310 helixtrans-55.8-20.9-179.861.9179.317000114.7C155 D162 Y163 V168 K183 T188C155-M160 HydrophobicContact CB-CB 4.3Å; C155-M160 PolarHBondContact O-N 3.28Å; M160-D162 PolarHBondContact O-N 2.9Å; M160-Y163 PolarHBondContact O-N 3.15Å; M160-V168 HydrophobicContact CB-CG1 4.19Å; M160-K183 HydrophobicContact CB-CG 4.43Å; M160-K183 WeakPolarHBondContact O-CE 3.18Å; M160-K183 HydrophobicContact SD-CB 3.88Å; M160-K183 HydrophobicContact SD-CG 4.24Å; M160-K183 VanDerWaalsContact SD-O 3.41Å; M160-T188 HydrophobicContact CE-CG2 3.75Å; M160-T188 HydrophobicContact SD-CG2 4.13Å
161N91.9Very high91.5Very high125 Ų12554 Ų5467%0.66832%0.319SS*.G310 helixtrans-72.5-10.9178-69.8-31.9000114.1G159 Y163G159-N161 PolarHBondContact O-N 3.25Å; N161-Y163 PolarHBondContact O-N 3.42Å
162D89.8Confident91.5Very high72 Ų7251.4 Ų51.439%0.38530%0.301SS..G310 helixtrans-66.2-22.2171.8-70.6-18.1000112I157 N158 G159 M160I157-D162 VanDerWaalsContact CA-OD2 3.32Å; I157-D162 WeakPolarHBondContact CA-OD2 3.38Å; I157-D162 WeakPolarHBondContact CB-OD2 3.38Å; I157-D162 PolarHBondContact N-OD2 3.44Å; N158-D162 PolarHBondContact N-OD2 3.32Å; G159-D162 WeakPolarHBondContact O-CB 3.25Å; G159-D162 PolarHBondContact O-N 2.87Å; M160-D162 PolarHBondContact O-N 2.9Å
163Y88.3Confident91.5Very high31 Ų3150.1 Ų50.112%0.12230%0.296CS..SBendtrans-87124.4172.2-64-73.4000110.6R145 Q149 M160 N161 V168 P169 K183R145-Y163 VanDerWaalsContact CD-OH 3.25Å; R145-Y163 WeakPolarHBondContact CD-OH 3.33Å; R145-Y163 PolarHBondContact NE-OH 3.34Å; Q149-Y163 PolarHBondContact NE2-OH 3.2Å; Q149-Y163 PolarHBondContact OE1-OH 3.26Å; M160-Y163 PolarHBondContact O-N 3.15Å; N161-Y163 PolarHBondContact O-N 3.42Å; Y163-V168 HydrophobicContact CD2-CB 4.33Å; Y163-V168 HydrophobicContact CD2-CG1 4.06Å; Y163-P169 HydrophobicContact CD1-CG 3.97Å; Y163-P169 VanDerWaalsContact CE1-CD 3.49Å; Y163-P169 HydrophobicContact CE1-CG 3.38Å; Y163-P169 HydrophobicContact CE2-CG 4.11Å; Y163-P169 VanDerWaalsContact CZ-CD 3.47Å; Y163-P169 VanDerWaalsContact CZ-CG 3.46Å; Y163-K183 WeakPolarHBondContact O-CE 3.48Å; Y163-K183 PolarHBondContact O-NZ 2.69Å
164P85.9Confident91.4Very high119 Ų11948.3 Ų48.377%0.77329%0.289SS*.SBendtrans-67.7149176.828.9-34000111
165G88.5Confident91Very high56 Ų5652.2 Ų52.258%0.57732%0.315SS*.SBendtrans85.8-158.6179.200000114.4K183G165-K183 WeakPolarHBondContact O-CE 3.38Å; G165-K183 PolarHBondContact O-NZ 3.02Å
166L88.5Confident90.5Very high140 Ų14062.6 Ų62.673%0.73336%0.36SS*.SBendtrans-99.4-11.1-175.9-65.5176.5000113.6K183L166-K183 WeakPolarHBondContact O-CG 3.33Å; L166-K183 PolarHBondContact O-N 3.11Å
167T90.2Very high90.1Very high73 Ų7366.8 Ų66.845%0.44838%0.379SS..BIsolated β-bridgetrans-108.7156.2-175.455.40000112P181T167-P181 CarbonylContact C-O 3.49Å; T167-P181 WeakPolarHBondContact CA-O 3.24Å; T167-P181 HydrophobicContact CG2-CG 4.09Å
168V91.2Very high89.6Confident10 Ų1073.5 Ų73.56%0.06141%0.41CS..  trans-127.1163.2174.7-64.40000110.2M160 Y163 C172 P181 K183M160-V168 HydrophobicContact CB-CG1 4.19Å; Y163-V168 HydrophobicContact CD2-CB 4.33Å; Y163-V168 HydrophobicContact CD2-CG1 4.06Å; V168-C172 HydrophobicContact CB-CB 3.91Å; V168-C172 HydrophobicContact CG2-CB 3.63Å; V168-P181 WeakPolarHBondContact CG2-O 3.28Å; V168-P181 PolarHBondContact N-O 2.86Å; V168-P181 VanDerWaalsContact O-CB 3.29Å; V168-P181 WeakPolarHBondContact O-CB 3.32Å; V168-K183 HydrophobicContact CG1-CG 3.67Å
169P90.5Very high89.2Confident28 Ų2873.1 Ų73.118%0.18241%0.407CS..  trans-57.7150170.4-25.336.2000111.8Y163 S171 C172Y163-P169 HydrophobicContact CD1-CG 3.97Å; Y163-P169 VanDerWaalsContact CE1-CD 3.49Å; Y163-P169 HydrophobicContact CE1-CG 3.38Å; Y163-P169 HydrophobicContact CE2-CG 4.11Å; Y163-P169 VanDerWaalsContact CZ-CD 3.47Å; Y163-P169 VanDerWaalsContact CZ-CG 3.46Å; P169-S171 PolarHBondContact O-N 3.41Å; P169-S171 VanDerWaalsContact O-N 3.09Å; P169-C172 WeakPolarHBondContact O-CB 3.45Å; P169-C172 PolarHBondContact O-N 3.29Å
170S90.1Very high88.9Confident90 Ų9074.5 Ų74.563%0.62942%0.416SS*.G310 helixtrans-58.6-25.8-179.949.20000113.7C172 C173S170-C172 PolarHBondContact O-N 2.95Å; S170-C173 WeakPolarHBondContact O-CB 3.3Å; S170-C173 PolarHBondContact O-N 3.31Å; S170-C173 VanDerWaalsContact O-N 3.09Å; S170-C173 PolarHBondContact O-SG 3.42Å
171S91Very high88.8Confident6 Ų675.5 Ų75.54%0.04243%0.426CS..G310 helixtrans-67.1-17.5174.657.40000114.5D146 Q149 P169 C173D146-S171 WeakPolarHBondContact CA-OG 3.15Å; D146-S171 VanDerWaalsContact CB-CB 3.49Å; D146-S171 VanDerWaalsContact CG-OG 3.28Å; D146-S171 WeakPolarHBondContact O-CB 3.26Å; D146-S171 WeakPolarHBondContact OD1-CB 3.36Å; D146-S171 PolarHBondContact OD1-OG 3.17Å; Q149-S171 PolarHBondContact NE2-OG 3.05Å; P169-S171 PolarHBondContact O-N 3.41Å; P169-S171 VanDerWaalsContact O-N 3.09Å; S171-C173 VanDerWaalsContact C-N 3.34Å
172C93.6Very high88.8Confident0 Ų072.7 Ų72.70%041%0.411CS..G310 helixtrans-84.2-7.6171.6-73.20000113.1Q149 C155 V168 P169 S170 S186 Y187Q149-C172 PolarHBondContact NE2-SG 3.48Å; C155-C172 WeakPolarHBondContact CA-SG 3.4Å; C155-C172 HydrophobicContact CB-CB 3.7Å; C155-C172 WeakPolarHBondContact CB-SG 3.26Å; C155-C172 WeakPolarHBondContact SG-CB 3.36Å; C155-C172 CovalentContact SG-SG 2.04Å; C155-C172 PolarHBondContact SG-SG 2.85Å; V168-C172 HydrophobicContact CB-CB 3.91Å; V168-C172 HydrophobicContact CG2-CB 3.63Å; P169-C172 WeakPolarHBondContact O-CB 3.45Å; P169-C172 PolarHBondContact O-N 3.29Å; S170-C172 PolarHBondContact O-N 2.95Å; C172-S186 CarbonylContact O-C 3.48Å; C172-S186 VanDerWaalsContact O-CA 3.27Å; C172-S186 WeakPolarHBondContact O-CA 3.43Å; C172-S186 WeakPolarHBondContact O-CB 3.38Å; C172-Y187 WeakPolarHBondContact O-CD2 3.38Å; C172-Y187 PolarHBondContact O-N 3.11Å
173C94.1Very high88.8Confident23 Ų2371 Ų7116%0.15540%0.399CS..BIsolated β-bridgetrans-72.9136.2-172.8-66.10000112.3S170 S171 P175 C180S170-C173 WeakPolarHBondContact O-CB 3.3Å; S170-C173 PolarHBondContact O-N 3.31Å; S170-C173 VanDerWaalsContact O-N 3.09Å; S170-C173 PolarHBondContact O-SG 3.42Å; S171-C173 VanDerWaalsContact C-N 3.34Å; C173-P175 WeakPolarHBondContact O-CD 3.35Å; C173-C180 WeakPolarHBondContact CA-SG 3.49Å; C173-C180 HydrophobicContact CB-CB 3.72Å; C173-C180 WeakPolarHBondContact CB-SG 3.16Å; C173-C180 WeakPolarHBondContact SG-CB 3.01Å; C173-C180 CovalentContact SG-SG 2Å; C173-C180 PolarHBondContact SG-SG 3.48Å
174I92.7Very high88.9Confident61 Ų6173.7 Ų73.731%0.31342%0.423SS..PPolyproline II helixtrans-72.6126.4170.2-60168.1000108.2K176 H177 A185 Y187I174-K176 PolarHBondContact O-N 2.51Å; I174-H177 HydrophobicContact CB-CB 4Å; I174-H177 HydrophobicContact CG2-CB 4.38Å; I174-H177 WeakPolarHBondContact O-CB 3.17Å; I174-H177 PolarHBondContact O-N 2.91Å; I174-H177 VanDerWaalsContact O-N 3.09Å; I174-A185 PolarHBondContact N-O 3.2Å; I174-Y187 HydrophobicContact CG1-CD1 3.95Å; I174-Y187 HydrophobicContact CG1-CE1 3.85Å; I174-Y187 HydrophobicContact CG1-CG 4.44Å
175P87.4Confident89.2Confident82 Ų8268 Ų6853%0.53239%0.387SS..THydrogen-bonded Turntrans-54.7134-179.8-2734000112.2C173 H177 Y187C173-P175 WeakPolarHBondContact O-CD 3.35Å; P175-H177 PolarHBondContact O-N 3.08Å; P175-Y187 VanDerWaalsContact CD-OH 3.31Å; P175-Y187 WeakPolarHBondContact CD-OH 3.3Å
176K83.5Confident89.4Confident219 Ų21965.5 Ų65.595%0.95236%0.36SS*.THydrogen-bonded Turntrans66.95.5-179-49.6177.3-179.9177.80115.7I174 Q178I174-K176 PolarHBondContact O-N 2.51Å; K176-Q178 PolarHBondContact O-N 3.47Å
177H83.1Confident89.7Confident90 Ų9060.2 Ų60.242%0.41733%0.331SS..  trans-76.4124.9173-157.1-64.4000110I174 P175 A185I174-H177 HydrophobicContact CB-CB 4Å; I174-H177 HydrophobicContact CG2-CB 4.38Å; I174-H177 WeakPolarHBondContact O-CB 3.17Å; I174-H177 PolarHBondContact O-N 2.91Å; I174-H177 VanDerWaalsContact O-N 3.09Å; P175-H177 PolarHBondContact O-N 3.08Å; H177-A185 HydrophobicContact CB-CB 4.17Å; H177-A185 WeakPolarHBondContact ND1-CB 3.07Å
178Q82.1Confident89.9Confident158 Ų15861.6 Ų61.674%0.73834%0.339SS*.THydrogen-bonded Turntrans-70.4148.8174.4-159.3168.85.700109.3K176K176-Q178 PolarHBondContact O-N 3.47Å
179N86Confident90.1Very high103 Ų10363.6 Ų63.655%0.55135%0.349SS*.THydrogen-bonded Turntrans81.84.8178.8-43.7-32.8000117.5D182N179-D182 WeakPolarHBondContact O-CB 2.94Å; N179-D182 VanDerWaalsContact O-CG 3.29Å; N179-D182 PolarHBondContact O-N 3.36Å
180C87.9Confident90.3Very high36 Ų3662.3 Ų62.324%0.24334%0.341CS..THydrogen-bonded Turntrans-66.4136.7165.2-142.70000109.5C173 A185C173-C180 WeakPolarHBondContact CA-SG 3.49Å; C173-C180 HydrophobicContact CB-CB 3.72Å; C173-C180 WeakPolarHBondContact CB-SG 3.16Å; C173-C180 WeakPolarHBondContact SG-CB 3.01Å; C173-C180 CovalentContact SG-SG 2Å; C173-C180 PolarHBondContact SG-SG 3.48Å; C180-A185 HydrophobicContact CB-CB 3.91Å
181P88.5Confident90.5Very high64 Ų6458 Ų5842%0.41631%0.311SS..THydrogen-bonded Turncis-88.915.725.335.2-36.8000117.5T167 V168T167-P181 CarbonylContact C-O 3.49Å; T167-P181 WeakPolarHBondContact CA-O 3.24Å; T167-P181 HydrophobicContact CG2-CG 4.09Å; V168-P181 WeakPolarHBondContact CG2-O 3.28Å; V168-P181 PolarHBondContact N-O 2.86Å; V168-P181 VanDerWaalsContact O-CB 3.29Å; V168-P181 WeakPolarHBondContact O-CB 3.32Å
182D91.6Very high90.6Very high66 Ų6661.3 Ų61.335%0.35332%0.324SS..BIsolated β-bridgetrans-63.6142.8177.8-66.5-21.2000112.4N179 S184 A185N179-D182 WeakPolarHBondContact O-CB 2.94Å; N179-D182 VanDerWaalsContact O-CG 3.29Å; N179-D182 PolarHBondContact O-N 3.36Å; D182-S184 PolarHBondContact O-N 3.27Å; D182-S184 VanDerWaalsContact O-N 3.07Å; D182-A185 PolarHBondContact O-N 3.13Å
183K91.1Very high90.7Very high35 Ų3566.4 Ų66.415%0.15235%0.348CS..G310 helixtrans-52.4-31.3175.7-81.1177.7177.8178.80113.5M160 Y163 G165 L166 V168 A185 S186M160-K183 HydrophobicContact CB-CG 4.43Å; M160-K183 WeakPolarHBondContact O-CE 3.18Å; M160-K183 HydrophobicContact SD-CB 3.88Å; M160-K183 HydrophobicContact SD-CG 4.24Å; M160-K183 VanDerWaalsContact SD-O 3.41Å; Y163-K183 WeakPolarHBondContact O-CE 3.48Å; Y163-K183 PolarHBondContact O-NZ 2.69Å; G165-K183 WeakPolarHBondContact O-CE 3.38Å; G165-K183 PolarHBondContact O-NZ 3.02Å; L166-K183 WeakPolarHBondContact O-CG 3.33Å; L166-K183 PolarHBondContact O-N 3.11Å; V168-K183 HydrophobicContact CG1-CG 3.67Å; K183-A185 PolarHBondContact O-N 3.33Å; K183-S186 WeakPolarHBondContact CA-OG 3.31Å; K183-S186 PolarHBondContact O-N 2.97Å; K183-S186 PolarHBondContact O-OG 3.46Å
184S89.6Confident90.8Very high89 Ų8966.6 Ų66.662%0.62235%0.348SS*.G310 helixtrans-63.6-23.2177.658.40000113.8D182D182-S184 PolarHBondContact O-N 3.27Å; D182-S184 VanDerWaalsContact O-N 3.07Å
185A91.9Very high90.8Very high0 Ų064.1 Ų64.10%034%0.336CS..G310 helixtrans-104.913.6179.900000113I174 H177 C180 D182 K183I174-A185 PolarHBondContact N-O 3.2Å; H177-A185 HydrophobicContact CB-CB 4.17Å; H177-A185 WeakPolarHBondContact ND1-CB 3.07Å; C180-A185 HydrophobicContact CB-CB 3.91Å; D182-A185 PolarHBondContact O-N 3.13Å; K183-A185 PolarHBondContact O-N 3.33Å
186S93.7Very high91.1Very high3 Ų361.6 Ų61.62%0.02132%0.317CS..BIsolated β-bridgetrans-112.9161.2-172.676.80000113.7C172 K183 T188C172-S186 CarbonylContact O-C 3.48Å; C172-S186 VanDerWaalsContact O-CA 3.27Å; C172-S186 WeakPolarHBondContact O-CA 3.43Å; C172-S186 WeakPolarHBondContact O-CB 3.38Å; K183-S186 WeakPolarHBondContact CA-OG 3.31Å; K183-S186 PolarHBondContact O-N 2.97Å; K183-S186 PolarHBondContact O-OG 3.46Å; S186-T188 PolarHBondContact O-N 3.45Å
187Y94.6Very high91.7Very high29 Ų2954.8 Ų54.811%0.11429%0.291CS..  trans-61.5128.9170.1-61.2-66.3000110.8H153 C155 C172 I174 P175H153-Y187 HydrophobicContact CB-CD1 4.05Å; H153-Y187 HydrophobicContact CB-CE1 3.6Å; H153-Y187 HydrophobicContact CB-CE2 4.26Å; H153-Y187 AromaticContact CG-CZ 3.91Å; H153-Y187 AromaticContact ND1-CZ 3.46Å; H153-Y187 PolarHBondContact ND1-OH 2.74Å; H153-Y187 WeakPolarHBondContact O-CD1 3.4Å; C155-Y187 WeakPolarHBondContact CB-O 3.38Å; C172-Y187 WeakPolarHBondContact O-CD2 3.38Å; C172-Y187 PolarHBondContact O-N 3.11Å; I174-Y187 HydrophobicContact CG1-CD1 3.95Å; I174-Y187 HydrophobicContact CG1-CE1 3.85Å; I174-Y187 HydrophobicContact CG1-CG 4.44Å; P175-Y187 VanDerWaalsContact CD-OH 3.31Å; P175-Y187 WeakPolarHBondContact CD-OH 3.3Å
188T93.3Very high92.1Very high101 Ų10154.1 Ų54.162%0.6229%0.291SS*.  trans-87-24.8-17957.60000112.9M160 S186M160-T188 HydrophobicContact CE-CG2 3.75Å; M160-T188 HydrophobicContact SD-CG2 4.13Å; S186-T188 PolarHBondContact O-N 3.45Å
189I95.2Very high92.6Very high53 Ų5347.5 Ų47.527%0.27226%0.261SS..SBendtrans-78.9136.2-176.9-165.9164.7000111.8C154 C155 Q193 V194C154-I189 WeakPolarHBondContact CA-O 3.23Å; C154-I189 HydrophobicContact CB-CG2 4.32Å; C155-I189 PolarHBondContact N-O 2.95Å; I189-Q193 HydrophobicContact CD1-CB 4.42Å; I189-Q193 HydrophobicContact CD1-CG 4.12Å; I189-Q193 HydrophobicContact CG1-CB 4.18Å; I189-Q193 HydrophobicContact CG1-CG 4.34Å; I189-V194 HydrophobicContact CB-CG2 4.37Å; I189-V194 HydrophobicContact CD1-CG2 3.7Å; I189-V194 HydrophobicContact CG1-CG2 3.81Å; I189-V194 HydrophobicContact CG2-CG2 3.68Å
190G94.9Very high92.9Very high1 Ų148.5 Ų48.51%0.0126%0.261CS..  trans-75144.5174.800000112.7I157 N158 K192 Q193 V194I157-G190 CarbonylContact O-C 3.58Å; I157-G190 WeakPolarHBondContact O-CA 3.36Å; N158-G190 VanDerWaalsContact C-CA 3.47Å; G190-K192 PolarHBondContact O-N 2.98Å; G190-Q193 PolarHBondContact O-N 3.46Å; G190-Q193 VanDerWaalsContact O-N 3.09Å; G190-V194 PolarHBondContact O-N 2.83Å
191C94.6Very high93.1Very high0 Ų052.8 Ų52.80%028%0.277CS..Hα-helixtrans-61.6-29.2180-62.30000112.9I126 I148 C154 G156 I157 Q193 V194 I195I126-C191 HydrophobicContact CG2-CB 4.48Å; I148-C191 HydrophobicContact CG2-CB 4.47Å; C154-C191 HydrophobicContact CB-CB 3.88Å; C154-C191 WeakPolarHBondContact CB-SG 3.15Å; C154-C191 WeakPolarHBondContact SG-CA 3.2Å; C154-C191 WeakPolarHBondContact SG-CB 3.36Å; C154-C191 CovalentContact SG-SG 2.04Å; C154-C191 PolarHBondContact SG-SG 3.5Å; G156-C191 WeakPolarHBondContact O-CB 3.41Å; G156-C191 PolarHBondContact O-N 3.16Å; G156-C191 PolarHBondContact O-SG 2.6Å; I157-C191 PolarHBondContact O-N 3.29Å; C191-Q193 PolarHBondContact O-N 2.92Å; C191-V194 PolarHBondContact O-N 3.31Å; C191-I195 WeakPolarHBondContact O-CB 3.38Å; C191-I195 WeakPolarHBondContact O-CD1 3.21Å; C191-I195 VanDerWaalsContact O-CG1 3.27Å; C191-I195 WeakPolarHBondContact O-CG1 3.25Å; C191-I195 PolarHBondContact O-N 3.34Å
192K93.7Very high93.3Very high74 Ų7453.7 Ų53.732%0.32227%0.274SS..Hα-helixtrans-58.5-46.6173.4-176.1178.4-176.2179.80112.1E123 I126 I157 G190 N196E123-K192 HydrophobicContact CG-CG 4.1Å; E123-K192 WeakPolarHBondContact OE1-CE 3.12Å; E123-K192 WeakPolarHBondContact OE1-CG 3.5Å; E123-K192 IonicContact OE1-NZ 3.98Å; E123-K192 WeakPolarHBondContact OE2-CE 3.32Å; E123-K192 IonicContact OE2-NZ 3.86Å; I126-K192 HydrophobicContact CD1-CB 3.57Å; I126-K192 HydrophobicContact CD1-CG 4.22Å; I157-K192 HydrophobicContact CG2-CB 4.32Å; I157-K192 WeakPolarHBondContact O-CB 3.43Å; I157-K192 PolarHBondContact O-N 3.41Å; G190-K192 PolarHBondContact O-N 2.98Å; K192-N196 WeakPolarHBondContact O-CB 3.46Å; K192-N196 PolarHBondContact O-N 3.09Å; K192-N196 VanDerWaalsContact O-N 3.08Å; K192-N196 PolarHBondContact O-ND2 2.99Å
193Q95.3Very high93.3Very high108 Ų10851.3 Ų51.351%0.50526%0.261SS..Hα-helixtrans-67.3-47.8-178.9-177.2177.3-23.600110.8I189 G190 C191 I195 N196 D197I189-Q193 HydrophobicContact CD1-CB 4.42Å; I189-Q193 HydrophobicContact CD1-CG 4.12Å; I189-Q193 HydrophobicContact CG1-CB 4.18Å; I189-Q193 HydrophobicContact CG1-CG 4.34Å; G190-Q193 PolarHBondContact O-N 3.46Å; G190-Q193 VanDerWaalsContact O-N 3.09Å; C191-Q193 PolarHBondContact O-N 2.92Å; Q193-I195 VanDerWaalsContact C-N 3.31Å; Q193-I195 PolarHBondContact O-N 3.23Å; Q193-N196 PolarHBondContact O-N 2.92Å; Q193-N196 VanDerWaalsContact O-N 3.12Å; Q193-D197 PolarHBondContact O-N 2.97Å
194V95.1Very high93.2Very high27 Ų2753.9 Ų53.916%0.16428%0.276CS..Hα-helixtrans-57.4-45.1178.6178.50000111.4L152 C154 I189 G190 C191 N196 D197 L198L152-V194 HydrophobicContact CB-CG1 4.17Å; C154-V194 HydrophobicContact CB-CG2 3.95Å; I189-V194 HydrophobicContact CB-CG2 4.37Å; I189-V194 HydrophobicContact CD1-CG2 3.7Å; I189-V194 HydrophobicContact CG1-CG2 3.81Å; I189-V194 HydrophobicContact CG2-CG2 3.68Å; G190-V194 PolarHBondContact O-N 2.83Å; C191-V194 PolarHBondContact O-N 3.31Å; V194-N196 PolarHBondContact O-N 3.33Å; V194-D197 PolarHBondContact O-N 3.31Å; V194-L198 WeakPolarHBondContact O-CB 3.36Å; V194-L198 PolarHBondContact O-N 3.47Å
195I93.6Very high93.3Very high9 Ų954.1 Ų54.15%0.04627%0.268CS..Hα-helixtrans-60.4-45.9177.1-77.1168.4000111.2L122 I126 L152 C191 Q193 D197 L198 V199L122-I195 HydrophobicContact CB-CD1 4.37Å; L122-I195 HydrophobicContact CB-CG2 3.57Å; L122-I195 HydrophobicContact CD1-CG2 3.59Å; L122-I195 HydrophobicContact CG-CG2 4.21Å; I126-I195 HydrophobicContact CD1-CD1 4.3Å; I126-I195 HydrophobicContact CG2-CD1 3.54Å; L152-I195 HydrophobicContact CD1-CD1 4.19Å; L152-I195 HydrophobicContact CD1-CG1 3.75Å; C191-I195 WeakPolarHBondContact O-CB 3.38Å; C191-I195 WeakPolarHBondContact O-CD1 3.21Å; C191-I195 VanDerWaalsContact O-CG1 3.27Å; C191-I195 WeakPolarHBondContact O-CG1 3.25Å; C191-I195 PolarHBondContact O-N 3.34Å; Q193-I195 VanDerWaalsContact C-N 3.31Å; Q193-I195 PolarHBondContact O-N 3.23Å; I195-D197 VanDerWaalsContact C-N 3.35Å; I195-D197 PolarHBondContact O-N 3.39Å; I195-L198 PolarHBondContact O-N 2.85Å; I195-V199 HydrophobicContact CG2-CG2 4.4Å; I195-V199 WeakPolarHBondContact O-CB 3.43Å; I195-V199 VanDerWaalsContact O-CG2 3.26Å; I195-V199 WeakPolarHBondContact O-CG2 3.43Å; I195-V199 PolarHBondContact O-N 3.35Å
196N94.4Very high93.2Very high28 Ų2856.3 Ų56.315%0.1529%0.286CS..Hα-helixtrans-64.3-42.2-178.2-72.3-11.3000111.9I119 E123 K192 Q193 V194 K200I119-N196 HydrophobicContact CD1-CB 4.41Å; I119-N196 WeakPolarHBondContact CG1-OD1 3.29Å; I119-N196 WeakPolarHBondContact CG2-OD1 3.38Å; E123-N196 PolarHBondContact OE1-ND2 3.23Å; E123-N196 PolarHBondContact OE1-OD1 2.87Å; K192-N196 WeakPolarHBondContact O-CB 3.46Å; K192-N196 PolarHBondContact O-N 3.09Å; K192-N196 VanDerWaalsContact O-N 3.08Å; K192-N196 PolarHBondContact O-ND2 2.99Å; Q193-N196 PolarHBondContact O-N 2.92Å; Q193-N196 VanDerWaalsContact O-N 3.12Å; V194-N196 PolarHBondContact O-N 3.33Å; N196-K200 WeakPolarHBondContact O-CB 3.37Å; N196-K200 VanDerWaalsContact O-CG 3.27Å; N196-K200 WeakPolarHBondContact O-CG 3.32Å; N196-K200 PolarHBondContact O-N 3.09Å; N196-K200 VanDerWaalsContact O-N 3.11Å
197D94.6Very high92.9Very high76 Ų7657.3 Ų57.341%0.40629%0.291SS..Hα-helixtrans-68.7-44.4177.4-66.8-18.4000110.5Q193 V194 I195 V199 K200 E201Q193-D197 PolarHBondContact O-N 2.97Å; V194-D197 PolarHBondContact O-N 3.31Å; I195-D197 VanDerWaalsContact C-N 3.35Å; I195-D197 PolarHBondContact O-N 3.39Å; D197-V199 PolarHBondContact O-N 3.16Å; D197-K200 PolarHBondContact O-N 2.87Å; D197-E201 VanDerWaalsContact O-CB 3.23Å; D197-E201 WeakPolarHBondContact O-CB 3.38Å; D197-E201 PolarHBondContact O-N 3.35Å
198L92.6Very high92.7Very high77 Ų7761.7 Ų61.740%0.40332%0.315SS..Hα-helixtrans-61.5-45.3177.9-173.270.9000111.8L152 V194 I195 K202L152-L198 HydrophobicContact CD2-CD2 4.28Å; V194-L198 WeakPolarHBondContact O-CB 3.36Å; V194-L198 PolarHBondContact O-N 3.47Å; I195-L198 PolarHBondContact O-N 2.85Å; L198-K202 HydrophobicContact CD1-CG 3.59Å; L198-K202 HydrophobicContact CG-CG 4.19Å; L198-K202 WeakPolarHBondContact O-CB 3.49Å; L198-K202 VanDerWaalsContact O-CG 3.26Å; L198-K202 WeakPolarHBondContact O-CG 3.27Å; L198-K202 PolarHBondContact O-N 3.09Å
199V92.9Very high92.6Very high19 Ų1962.9 Ų62.912%0.11532%0.317CS..Hα-helixtrans-61.5-52.5177.1171.80000109.4I118 I119 L122 I195 D197 E201 K202 F203I118-V199 HydrophobicContact CB-CG1 4.32Å; I118-V199 HydrophobicContact CG2-CG1 4.01Å; I118-V199 HydrophobicContact CG2-CG2 3.84Å; I119-V199 HydrophobicContact CD1-CB 4.47Å; I119-V199 HydrophobicContact CD1-CG1 4.34Å; I119-V199 HydrophobicContact CG1-CB 4.02Å; I119-V199 HydrophobicContact CG1-CG1 3.96Å; I119-V199 HydrophobicContact CG1-CG2 4.31Å; L122-V199 HydrophobicContact CD1-CG2 3.66Å; I195-V199 HydrophobicContact CG2-CG2 4.4Å; I195-V199 WeakPolarHBondContact O-CB 3.43Å; I195-V199 VanDerWaalsContact O-CG2 3.26Å; I195-V199 WeakPolarHBondContact O-CG2 3.43Å; I195-V199 PolarHBondContact O-N 3.35Å; D197-V199 PolarHBondContact O-N 3.16Å; V199-E201 PolarHBondContact O-N 3.29Å; V199-K202 PolarHBondContact O-N 2Å; V199-F203 WeakPolarHBondContact O-CA 3.35Å; V199-F203 WeakPolarHBondContact O-CB 3.41Å; V199-F203 PolarHBondContact O-N 3.05Å
200K92.5Very high92.4Very high124 Ų12465.9 Ų65.954%0.53933%0.333SS..Hα-helixtrans-61.6-42.7-177.6-73.3173.3-178.4174.90113I119 N196 D197I119-K200 HydrophobicContact CD1-CG 4.41Å; N196-K200 WeakPolarHBondContact O-CB 3.37Å; N196-K200 VanDerWaalsContact O-CG 3.27Å; N196-K200 WeakPolarHBondContact O-CG 3.32Å; N196-K200 PolarHBondContact O-N 3.09Å; N196-K200 VanDerWaalsContact O-N 3.11Å; D197-K200 PolarHBondContact O-N 2.87Å
201E92.3Very high92.1Very high126 Ų12668.8 Ų68.859%0.58935%0.347SS*.Hα-helixtrans-72.9-41.2-178.2-164.9-162.2137.400111.6D197 V199D197-E201 VanDerWaalsContact O-CB 3.23Å; D197-E201 WeakPolarHBondContact O-CB 3.38Å; D197-E201 PolarHBondContact O-N 3.35Å; V199-E201 PolarHBondContact O-N 3.29Å
202K92Very high91.8Very high83 Ų8372 Ų7236%0.36137%0.369SS..Hα-helixtrans-95.8-5.1-173.2-51-57.6-175.1-164.70114.1L198 V199 L204 M205 A206L198-K202 HydrophobicContact CD1-CG 3.59Å; L198-K202 HydrophobicContact CG-CG 4.19Å; L198-K202 WeakPolarHBondContact O-CB 3.49Å; L198-K202 VanDerWaalsContact O-CG 3.26Å; L198-K202 WeakPolarHBondContact O-CG 3.27Å; L198-K202 PolarHBondContact O-N 3.09Å; V199-K202 PolarHBondContact O-N 2Å; K202-L204 PolarHBondContact O-N 3.25Å; K202-M205 HydrophobicContact CB-CE 4.4Å; K202-M205 HydrophobicContact CD-CE 3.18Å; K202-M205 HydrophobicContact CG-CE 4.35Å; K202-M205 PolarHBondContact O-N 3.49Å; K202-M205 VanDerWaalsContact O-N 3.16Å; K202-A206 PolarHBondContact O-N 3.07Å
203F91Very high91.8Very high15 Ų1570.9 Ų70.97%0.06637%0.368CS..Hα-helixtrans-53.5-49.1-176.7-173.5-103.5000113K111 T114 E115 I118 V199 M205 A206 I207K111-F203 HydrophobicContact CB-CE1 4.23Å; K111-F203 HydrophobicContact CD-CD1 4.18Å; K111-F203 HydrophobicContact CD-CE1 4.1Å; K111-F203 HydrophobicContact CG-CD1 4.02Å; K111-F203 HydrophobicContact CG-CE1 3.6Å; K111-F203 HydrophobicContact CG-CZ 4.48Å; T114-F203 HydrophobicContact CG2-CE2 3.89Å; T114-F203 HydrophobicContact CG2-CZ 3.86Å; E115-F203 HydrophobicContact CG-CB 4.19Å; E115-F203 HydrophobicContact CG-CD1 3.91Å; E115-F203 HydrophobicContact CG-CD2 3.6Å; E115-F203 HydrophobicContact CG-CE1 4.13Å; E115-F203 HydrophobicContact CG-CE2 3.85Å; E115-F203 HydrophobicContact CG-CG 3.63Å; E115-F203 HydrophobicContact CG-CZ 4.1Å; E115-F203 WeakPolarHBondContact OE1-CD1 3.26Å; I118-F203 HydrophobicContact CD1-CD2 4.14Å; I118-F203 HydrophobicContact CD1-CE2 3.74Å; V199-F203 WeakPolarHBondContact O-CA 3.35Å; V199-F203 WeakPolarHBondContact O-CB 3.41Å; V199-F203 PolarHBondContact O-N 3.05Å; F203-M205 PolarHBondContact O-N 2.97Å; F203-A206 PolarHBondContact O-N 3.33Å; F203-I207 HydrophobicContact CD1-CD1 3.8Å; F203-I207 HydrophobicContact CE1-CD1 3.24Å; F203-I207 HydrophobicContact CE1-CG1 4.25Å; F203-I207 HydrophobicContact CE2-CD1 4.48Å; F203-I207 HydrophobicContact CZ-CD1 3.65Å; F203-I207 HydrophobicContact CZ-CG1 4.43Å; F203-I207 PolarHBondContact O-N 2.74Å
204L89.3Confident91.6Very high89 Ų8966 Ų6647%0.46635%0.346SS..Hα-helixtrans-66.1-39.7-179.2-71.9178.7000112.5K111 K202 I207 I208K111-L204 HydrophobicContact CD-CD2 4.35Å; K202-L204 PolarHBondContact O-N 3.25Å; L204-I207 PolarHBondContact O-N 2.8Å; L204-I208 WeakPolarHBondContact O-CG1 3.44Å; L204-I208 PolarHBondContact O-N 3.33Å
205M91.1Very high91.4Very high94 Ų9469.6 Ų69.646%0.46336%0.364SS..Hα-helixtrans-65.3-40.8176.4-73.8-176.8-79.200111.5K202 F203 I207 I208 L209K202-M205 HydrophobicContact CB-CE 4.4Å; K202-M205 HydrophobicContact CD-CE 3.18Å; K202-M205 HydrophobicContact CG-CE 4.35Å; K202-M205 PolarHBondContact O-N 3.49Å; K202-M205 VanDerWaalsContact O-N 3.16Å; F203-M205 PolarHBondContact O-N 2.97Å; M205-I207 VanDerWaalsContact C-N 3.35Å; M205-I207 PolarHBondContact O-N 3.14Å; M205-I208 PolarHBondContact O-N 3.23Å; M205-L209 WeakPolarHBondContact O-CG 2.79Å; M205-L209 PolarHBondContact O-N 2.95Å
206A90.3Very high91.4Very high46 Ų4670.5 Ų70.538%0.3837%0.371SS..Hα-helixtrans-60.7-43.2175.500000111.8K202 F203 L209 I210K202-A206 PolarHBondContact O-N 3.07Å; F203-A206 PolarHBondContact O-N 3.33Å; A206-L209 PolarHBondContact O-N 3.48Å; A206-I210 VanDerWaalsContact O-CG1 3.28Å; A206-I210 WeakPolarHBondContact O-CG1 3.44Å; A206-I210 PolarHBondContact O-N 3.43Å
207I88.4Confident91.4Very high25 Ų2569.7 Ų69.713%0.12837%0.366CS..Hα-helixtrans-58.8-49.9174-70.7178.2000110.6L108 F203 L204 M205 L209 I210 M211L108-I207 HydrophobicContact CD2-CD1 4.08Å; L108-I207 HydrophobicContact CD2-CG2 4.43Å; F203-I207 HydrophobicContact CD1-CD1 3.8Å; F203-I207 HydrophobicContact CE1-CD1 3.24Å; F203-I207 HydrophobicContact CE1-CG1 4.25Å; F203-I207 HydrophobicContact CE2-CD1 4.48Å; F203-I207 HydrophobicContact CZ-CD1 3.65Å; F203-I207 HydrophobicContact CZ-CG1 4.43Å; F203-I207 PolarHBondContact O-N 2.74Å; L204-I207 PolarHBondContact O-N 2.8Å; M205-I207 VanDerWaalsContact C-N 3.35Å; M205-I207 PolarHBondContact O-N 3.14Å; I207-L209 VanDerWaalsContact C-N 3.31Å; I207-L209 PolarHBondContact O-N 2.97Å; I207-I210 PolarHBondContact O-N 3.37Å; I207-M211 HydrophobicContact CG2-CG 4.07Å; I207-M211 VanDerWaalsContact O-CG 3.23Å; I207-M211 WeakPolarHBondContact O-CG 3.09Å; I207-M211 PolarHBondContact O-N 2.88Å
208I89.9Confident91.4Very high121 Ų12169.1 Ų69.162%0.62136%0.363SS*.Hα-helixtrans-59-42.7-178.6-67.8165.8000111.5L204 M205 M211 S212L204-I208 WeakPolarHBondContact O-CG1 3.44Å; L204-I208 PolarHBondContact O-N 3.33Å; M205-I208 PolarHBondContact O-N 3.23Å; I208-M211 PolarHBondContact O-N 3.5Å; I208-S212 PolarHBondContact O-N 3.44Å
209L91.8Very high91.4Very high125 Ų12571.5 Ų71.565%0.65437%0.37SS*.Hα-helixtrans-62.1-45.2177-70.6174.3000111.7M205 A206 I207 M211 S212M205-L209 WeakPolarHBondContact O-CG 2.79Å; M205-L209 PolarHBondContact O-N 2.95Å; A206-L209 PolarHBondContact O-N 3.48Å; I207-L209 VanDerWaalsContact C-N 3.31Å; I207-L209 PolarHBondContact O-N 2.97Å; L209-M211 VanDerWaalsContact C-N 3.28Å; L209-M211 PolarHBondContact O-N 3.29Å; L209-S212 WeakPolarHBondContact O-CB 3.14Å; L209-S212 PolarHBondContact O-N 2.96Å; L209-S212 PolarHBondContact O-OG 3.18Å
210I89.9Confident91.6Very high117 Ų11770.7 Ų70.760%0.637%0.365SS*.Hα-helixtrans-63.5-36176.6-67167000110.8A206 I207 S212 V213 P214A206-I210 VanDerWaalsContact O-CG1 3.28Å; A206-I210 WeakPolarHBondContact O-CG1 3.44Å; A206-I210 PolarHBondContact O-N 3.43Å; I207-I210 PolarHBondContact O-N 3.37Å; I210-S212 PolarHBondContact O-N 3.17Å; I210-V213 VanDerWaalsContact O-CB 3.31Å; I210-V213 WeakPolarHBondContact O-CB 3.03Å; I210-V213 WeakPolarHBondContact O-CG2 3.16Å; I210-V213 PolarHBondContact O-N 2.94Å; I210-P214 WeakPolarHBondContact O-CD 3.43Å
211M88.3Confident91.8Very high61 Ų6166.3 Ų66.330%0.335%0.348SS..Hα-helixtrans-67.6-12.9178.3-69.8-53.2-68.600114.6I101 A104 I207 I208 L209 V213 P214I101-M211 HydrophobicContact CD1-CE 4.02Å; A104-M211 HydrophobicContact CB-CE 3.75Å; A104-M211 HydrophobicContact CB-SD 3.28Å; A104-M211 WeakPolarHBondContact CB-SD 3.35Å; I207-M211 HydrophobicContact CG2-CG 4.07Å; I207-M211 VanDerWaalsContact O-CG 3.23Å; I207-M211 WeakPolarHBondContact O-CG 3.09Å; I207-M211 PolarHBondContact O-N 2.88Å; I208-M211 PolarHBondContact O-N 3.5Å; L209-M211 VanDerWaalsContact C-N 3.28Å; L209-M211 PolarHBondContact O-N 3.29Å; M211-V213 PolarHBondContact O-N 2.83Å; M211-P214 HydrophobicContact CE-CG 4.34Å; M211-P214 VanDerWaalsContact O-CD 3.32Å; M211-P214 WeakPolarHBondContact O-CD 3.23Å
212S89.9Confident92Very high67 Ų6765.1 Ų65.147%0.46935%0.345SS..Hα-helixtrans-67.8-24.4169.972.20000112.9I208 L209 I210 L215 S216I208-S212 PolarHBondContact O-N 3.44Å; L209-S212 WeakPolarHBondContact O-CB 3.14Å; L209-S212 PolarHBondContact O-N 2.96Å; L209-S212 PolarHBondContact O-OG 3.18Å; I210-S212 PolarHBondContact O-N 3.17Å; S212-L215 WeakPolarHBondContact O-CB 3.34Å; S212-L215 PolarHBondContact O-N 3.06Å; S212-S216 PolarHBondContact O-N 3.17Å; S212-S216 VanDerWaalsContact O-N 3.16Å
213V92.4Very high92.2Very high51 Ų5164.1 Ų64.131%0.30934%0.34SS..Hα-helixtrans-65.1-47.2-179175.70000112.1I210 M211 L215 S216 K217I210-V213 VanDerWaalsContact O-CB 3.31Å; I210-V213 WeakPolarHBondContact O-CB 3.03Å; I210-V213 WeakPolarHBondContact O-CG2 3.16Å; I210-V213 PolarHBondContact O-N 2.94Å; M211-V213 PolarHBondContact O-N 2.83Å; V213-L215 VanDerWaalsContact C-N 3.27Å; V213-L215 PolarHBondContact O-N 3.42Å; V213-S216 WeakPolarHBondContact O-CB 3.37Å; V213-S216 PolarHBondContact O-N 3.36Å; V213-S216 VanDerWaalsContact O-N 3.13Å; V213-S216 PolarHBondContact O-OG 3.15Å; V213-K217 VanDerWaalsContact CG1-NZ 3.29Å; V213-K217 PolarHBondContact O-N 3.03Å
214P92.2Very high92.4Very high6 Ų663.4 Ų63.44%0.03934%0.337CS..Hα-helixtrans-52.1-40.3170.2-29.529.5000114.5F97 E100 I101 I210 M211 S216 K217 L218F97-P214 HydrophobicContact CD2-CB 3.81Å; F97-P214 HydrophobicContact CE2-CB 3.77Å; E100-P214 HydrophobicContact CB-CG 3.93Å; E100-P214 WeakPolarHBondContact OE2-CD 3.4Å; E100-P214 WeakPolarHBondContact OE2-CG 3.45Å; I101-P214 HydrophobicContact CD1-CB 4.49Å; I210-P214 WeakPolarHBondContact O-CD 3.43Å; M211-P214 HydrophobicContact CE-CG 4.34Å; M211-P214 VanDerWaalsContact O-CD 3.32Å; M211-P214 WeakPolarHBondContact O-CD 3.23Å; P214-S216 VanDerWaalsContact C-N 3.35Å; P214-S216 PolarHBondContact O-N 2.82Å; P214-K217 WeakPolarHBondContact O-CB 3.29Å; P214-K217 PolarHBondContact O-N 3.48Å; P214-L218 PolarHBondContact O-N 3.31Å
215L90.5Very high92.8Very high102 Ų10263 Ų6353%0.53434%0.335SS..Hα-helixtrans-64.4-41.4178.1-67172.2000111.3S212 V213 K217 L218 F219S212-L215 WeakPolarHBondContact O-CB 3.34Å; S212-L215 PolarHBondContact O-N 3.06Å; V213-L215 VanDerWaalsContact C-N 3.27Å; V213-L215 PolarHBondContact O-N 3.42Å; L215-K217 PolarHBondContact O-N 2.97Å; L215-L218 HydrophobicContact CD2-CD1 4.33Å; L215-L218 WeakPolarHBondContact O-CB 2.99Å; L215-L218 PolarHBondContact O-N 3.08Å; L215-L218 VanDerWaalsContact O-N 3.1Å; L215-F219 WeakPolarHBondContact O-CD2 3.34Å; L215-F219 PolarHBondContact O-N 3.48Å
216S92.9Very high93Very high28 Ų2862.2 Ų62.220%0.19633%0.332CS..Hα-helixtrans-59-35.5175.680.70000112.3F16 S212 V213 P214 F219 A220F16-S216 WeakPolarHBondContact CZ-O 3.43Å; S212-S216 PolarHBondContact O-N 3.17Å; S212-S216 VanDerWaalsContact O-N 3.16Å; V213-S216 WeakPolarHBondContact O-CB 3.37Å; V213-S216 PolarHBondContact O-N 3.36Å; V213-S216 VanDerWaalsContact O-N 3.13Å; V213-S216 PolarHBondContact O-OG 3.15Å; P214-S216 VanDerWaalsContact C-N 3.35Å; P214-S216 PolarHBondContact O-N 2.82Å; S216-F219 PolarHBondContact O-N 3.35Å; S216-A220 PolarHBondContact O-N 3.49Å
217K94.2Very high93.2Very high11 Ų1160 Ų605%0.04831%0.314CS..Hα-helixtrans-67.8-36.7175.2-66.2-172.3178.465.10112.7L93 M96 E100 V213 P214 L215 F219 A220 L221L93-K217 HydrophobicContact CD2-CD 4.23Å; L93-K217 HydrophobicContact CD2-CG 4.2Å; M96-K217 HydrophobicContact CB-CD 4.2Å; E100-K217 WeakPolarHBondContact OE1-CE 3.31Å; E100-K217 IonicContact OE1-NZ 2.54Å; E100-K217 PolarHBondContact OE1-NZ 2.99Å; E100-K217 WeakPolarHBondContact OE2-CE 3.01Å; E100-K217 IonicContact OE2-NZ 2.78Å; E100-K217 PolarHBondContact OE2-NZ 2.89Å; V213-K217 VanDerWaalsContact CG1-NZ 3.29Å; V213-K217 PolarHBondContact O-N 3.03Å; P214-K217 WeakPolarHBondContact O-CB 3.29Å; P214-K217 PolarHBondContact O-N 3.48Å; L215-K217 PolarHBondContact O-N 2.97Å; K217-F219 VanDerWaalsContact C-N 3.34Å; K217-A220 PolarHBondContact O-N 2.91Å; K217-L221 VanDerWaalsContact O-CB 3.25Å; K217-L221 WeakPolarHBondContact O-CB 3.34Å; K217-L221 PolarHBondContact O-N 3.48Å
218L94.1Very high93.6Very high65 Ų6560.5 Ų60.534%0.3432%0.319SS..Hα-helixtrans-62.2-43.8175.3-66.7176.4000110.9F97 P214 L215 A220 L221 L222F97-L218 HydrophobicContact CD2-CD2 4.32Å; F97-L218 HydrophobicContact CD2-CG 4.4Å; F97-L218 HydrophobicContact CE1-CD2 4.48Å; F97-L218 HydrophobicContact CE2-CD1 4.14Å; F97-L218 HydrophobicContact CE2-CD2 4.07Å; F97-L218 HydrophobicContact CE2-CG 4.03Å; F97-L218 HydrophobicContact CZ-CD1 4.36Å; F97-L218 HydrophobicContact CZ-CD2 4.16Å; F97-L218 HydrophobicContact CZ-CG 4.47Å; P214-L218 PolarHBondContact O-N 3.31Å; L215-L218 HydrophobicContact CD2-CD1 4.33Å; L215-L218 WeakPolarHBondContact O-CB 2.99Å; L215-L218 PolarHBondContact O-N 3.08Å; L215-L218 VanDerWaalsContact O-N 3.1Å; L218-A220 PolarHBondContact O-N 2.86Å; L218-L221 PolarHBondContact O-N 3.49Å; L218-L222 WeakPolarHBondContact O-CB 3.07Å; L218-L222 VanDerWaalsContact O-CG 3.26Å; L218-L222 WeakPolarHBondContact O-CG 3.13Å; L218-L222 PolarHBondContact O-N 2.85Å
219F94.2Very high93.8Very high127 Ų12758.2 Ų58.256%0.55731%0.313SS*.Hα-helixtrans-61.2-45174.4-73.4-70.6000112.2L215 S216 K217 L221 L222 F223L215-F219 WeakPolarHBondContact O-CD2 3.34Å; L215-F219 PolarHBondContact O-N 3.48Å; S216-F219 PolarHBondContact O-N 3.35Å; K217-F219 VanDerWaalsContact C-N 3.34Å; F219-L221 VanDerWaalsContact C-N 3.34Å; F219-L221 PolarHBondContact O-N 2.78Å; F219-L222 PolarHBondContact O-N 3.47Å; F219-F223 WeakPolarHBondContact O-CG 3.4Å; F219-F223 PolarHBondContact O-N 3.46Å
220A96.3Very high93.8Very high1 Ų152.4 Ų52.41%0.00828%0.283CS..Hα-helixtrans-65.3-36.9178.200000112.9F16 L93 S216 K217 L218 F223 A224F16-A220 HydrophobicContact CD1-CB 3.74Å; F16-A220 HydrophobicContact CE1-CB 3.29Å; F16-A220 HydrophobicContact CE2-CB 4.27Å; F16-A220 HydrophobicContact CG-CB 4.4Å; F16-A220 HydrophobicContact CZ-CB 3.57Å; L93-A220 HydrophobicContact CD1-CB 3.96Å; S216-A220 PolarHBondContact O-N 3.49Å; K217-A220 PolarHBondContact O-N 2.91Å; L218-A220 PolarHBondContact O-N 2.86Å; A220-F223 PolarHBondContact O-N 3.48Å; A220-A224 VanDerWaalsContact O-CB 3.3Å; A220-A224 WeakPolarHBondContact O-CB 3.49Å; A220-A224 PolarHBondContact O-N 3.48Å
221L96.7Very high94Very high33 Ų3347 Ų4717%0.17326%0.256CS..Hα-helixtrans-65.4-44.3174-178.164.8000111L93 K217 L218 F219 A224 I225L93-L221 HydrophobicContact CD1-CB 4.49Å; K217-L221 VanDerWaalsContact O-CB 3.25Å; K217-L221 WeakPolarHBondContact O-CB 3.34Å; K217-L221 PolarHBondContact O-N 3.48Å; L218-L221 PolarHBondContact O-N 3.49Å; F219-L221 VanDerWaalsContact C-N 3.34Å; F219-L221 PolarHBondContact O-N 2.78Å; L221-A224 PolarHBondContact O-N 2.99Å; L221-I225 HydrophobicContact CD1-CD1 4.06Å; L221-I225 HydrophobicContact CD1-CG1 4.34Å; L221-I225 HydrophobicContact CG-CD1 3.85Å; L221-I225 HydrophobicContact CG-CG1 4.5Å; L221-I225 WeakPolarHBondContact O-CB 3.38Å; L221-I225 VanDerWaalsContact O-CG1 3.25Å; L221-I225 WeakPolarHBondContact O-CG1 3.27Å; L221-I225 PolarHBondContact O-N 3.44Å
222L96.3Very high94.2Very high100 Ų10050.3 Ų50.352%0.52427%0.268SS..Hα-helixtrans-59.5-47.6175-71.9173.2000111.2L218 F219 A224 I225 L226L218-L222 WeakPolarHBondContact O-CB 3.07Å; L218-L222 VanDerWaalsContact O-CG 3.26Å; L218-L222 WeakPolarHBondContact O-CG 3.13Å; L218-L222 PolarHBondContact O-N 2.85Å; F219-L222 PolarHBondContact O-N 3.47Å; L222-A224 PolarHBondContact O-N 3.38Å; L222-I225 PolarHBondContact O-N 3.41Å; L222-L226 WeakPolarHBondContact O-CB 3.41Å; L222-L226 VanDerWaalsContact O-CG 3.23Å; L222-L226 WeakPolarHBondContact O-CG 2.89Å; L222-L226 PolarHBondContact O-N 3.09Å
223F95.8Very high94.3Very high62 Ų6252 Ų5227%0.27227%0.269SS..Hα-helixtrans-63.3-40.2177.1-66.7-15.5000112.6L9 A12 F219 A220 L226 L227L9-F223 HydrophobicContact CD2-CB 4.24Å; L9-F223 HydrophobicContact CD2-CD1 3.84Å; L9-F223 HydrophobicContact CD2-CG 4.19Å; A12-F223 HydrophobicContact CB-CD2 4.22Å; A12-F223 HydrophobicContact CB-CE2 4.17Å; F219-F223 WeakPolarHBondContact O-CG 3.4Å; F219-F223 PolarHBondContact O-N 3.46Å; A220-F223 PolarHBondContact O-N 3.48Å; F223-L226 PolarHBondContact O-N 3.08Å; F223-L227 VanDerWaalsContact O-CB 3.27Å; F223-L227 WeakPolarHBondContact O-CB 3.49Å; F223-L227 PolarHBondContact O-N 3.12Å
224A96.8Very high94.2Very high0 Ų053.1 Ų53.10%027%0.27CS..Hα-helixtrans-64.4-42.3175.200000112.5L13 L86 Y89 A220 L221 L222 L227 C228L13-A224 HydrophobicContact CD2-CB 4.26Å; L86-A224 HydrophobicContact CD1-CB 3.61Å; L86-A224 VanDerWaalsContact CD2-O 3.22Å; L86-A224 WeakPolarHBondContact CD2-O 3.23Å; L86-A224 HydrophobicContact CG-CB 4.12Å; Y89-A224 HydrophobicContact CD1-CB 3.81Å; Y89-A224 HydrophobicContact CE1-CB 3.79Å; A220-A224 VanDerWaalsContact O-CB 3.3Å; A220-A224 WeakPolarHBondContact O-CB 3.49Å; A220-A224 PolarHBondContact O-N 3.48Å; L221-A224 PolarHBondContact O-N 2.99Å; L222-A224 PolarHBondContact O-N 3.38Å; A224-L227 PolarHBondContact O-N 3.33Å; A224-C228 VanDerWaalsContact O-CB 3.23Å; A224-C228 WeakPolarHBondContact O-CB 3.34Å; A224-C228 PolarHBondContact O-N 3.11Å
225I96Very high94.1Very high80 Ų8055.3 Ų55.341%0.4128%0.282SS..Hα-helixtrans-65.2-45.4176.4-68.8166.9000110.4L221 L222 L227 C228 C229L221-I225 HydrophobicContact CD1-CD1 4.06Å; L221-I225 HydrophobicContact CD1-CG1 4.34Å; L221-I225 HydrophobicContact CG-CD1 3.85Å; L221-I225 HydrophobicContact CG-CG1 4.5Å; L221-I225 WeakPolarHBondContact O-CB 3.38Å; L221-I225 VanDerWaalsContact O-CG1 3.25Å; L221-I225 WeakPolarHBondContact O-CG1 3.27Å; L221-I225 PolarHBondContact O-N 3.44Å; L222-I225 PolarHBondContact O-N 3.41Å; I225-L227 VanDerWaalsContact C-N 3.35Å; I225-L227 PolarHBondContact O-N 2.61Å; I225-C228 WeakPolarHBondContact O-CB 2.98Å; I225-C228 PolarHBondContact O-N 2.04Å; I225-C229 WeakPolarHBondContact O-CB 3.44Å; I225-C229 PolarHBondContact O-N 2.89Å; I225-C229 PolarHBondContact O-SG 3.43Å
226L95.9Very high94.1Very high79 Ų7954.4 Ų54.441%0.41428%0.28SS..Hα-helixtrans-61.7-43178.4-71.1174.7000111.9L9 L222 F223 C229 S230L9-L226 HydrophobicContact CD1-CB 3.77Å; L9-L226 HydrophobicContact CD2-CB 4.26Å; L9-L226 HydrophobicContact CD2-CD1 4.3Å; L222-L226 WeakPolarHBondContact O-CB 3.41Å; L222-L226 VanDerWaalsContact O-CG 3.23Å; L222-L226 WeakPolarHBondContact O-CG 2.89Å; L222-L226 PolarHBondContact O-N 3.09Å; F223-L226 PolarHBondContact O-N 3.08Å; L226-C229 PolarHBondContact O-N 3.35Å; L226-S230 PolarHBondContact O-N 2.83Å
227L95.9Very high93.9Very high0 Ų056.1 Ų56.10%029%0.29CS..Hα-helixtrans-65.8-42.4175.6179.861.4000111T6 L9 V10 L13 A78 L86 F223 A224 I225 C229 S230 V231T6-L227 HydrophobicContact CG2-CD1 3.86Å; L9-L227 HydrophobicContact CB-CB 4.34Å; L9-L227 HydrophobicContact CB-CD1 4.43Å; L9-L227 HydrophobicContact CD1-CB 4.48Å; V10-L227 HydrophobicContact CG2-CD1 3.64Å; V10-L227 HydrophobicContact CG2-CD2 3.97Å; V10-L227 HydrophobicContact CG2-CG 4.49Å; L13-L227 HydrophobicContact CD2-CD2 4.02Å; A78-L227 HydrophobicContact CB-CD2 4.25Å; L86-L227 HydrophobicContact CD2-CB 3.92Å; L86-L227 HydrophobicContact CD2-CD2 4.02Å; L86-L227 HydrophobicContact CD2-CG 3.83Å; F223-L227 VanDerWaalsContact O-CB 3.27Å; F223-L227 WeakPolarHBondContact O-CB 3.49Å; F223-L227 PolarHBondContact O-N 3.12Å; A224-L227 PolarHBondContact O-N 3.33Å; I225-L227 VanDerWaalsContact C-N 3.35Å; I225-L227 PolarHBondContact O-N 2.61Å; L227-C229 VanDerWaalsContact C-N 3.29Å; L227-C229 PolarHBondContact O-N 2.83Å; L227-S230 PolarHBondContact O-N 3.44Å; L227-S230 VanDerWaalsContact O-N 3.14Å; L227-S230 PolarHBondContact O-OG 3.25Å; L227-V231 HydrophobicContact CD1-CG2 4.35Å; L227-V231 VanDerWaalsContact O-CG2 3.31Å; L227-V231 WeakPolarHBondContact O-CG2 3.32Å; L227-V231 PolarHBondContact O-N 2.86Å
228C95.3Very high93.7Very high35 Ų3561.5 Ų61.524%0.23632%0.315CS..Hα-helixtrans-59.3-42.1175.4-170.40000111.4L86 A224 I225 K232L86-C228 HydrophobicContact CD2-CB 3.68Å; L86-C228 VanDerWaalsContact CD2-N 3.32Å; L86-C228 HydrophobicContact CG-CB 4.22Å; A224-C228 VanDerWaalsContact O-CB 3.23Å; A224-C228 WeakPolarHBondContact O-CB 3.34Å; A224-C228 PolarHBondContact O-N 3.11Å; I225-C228 WeakPolarHBondContact O-CB 2.98Å; I225-C228 PolarHBondContact O-N 2.04Å; C228-K232 WeakPolarHBondContact O-CB 3.14Å; C228-K232 PolarHBondContact O-N 3.33Å
229C94.2Very high93.6Very high73 Ų7366.4 Ų66.449%0.49333%0.33SS..Hα-helixtrans-66.4-38.3174.9-72.50000112.8I225 L226 L227 K232 Q233I225-C229 WeakPolarHBondContact O-CB 3.44Å; I225-C229 PolarHBondContact O-N 2.89Å; I225-C229 PolarHBondContact O-SG 3.43Å; L226-C229 PolarHBondContact O-N 3.35Å; L227-C229 VanDerWaalsContact C-N 3.29Å; L227-C229 PolarHBondContact O-N 2.83Å; C229-K232 WeakPolarHBondContact O-CA 3.47Å; C229-K232 VanDerWaalsContact O-CB 3.27Å; C229-K232 WeakPolarHBondContact O-CB 3.44Å; C229-K232 PolarHBondContact O-N 2.93Å; C229-Q233 PolarHBondContact O-N 3.07Å
230S93Very high93.4Very high3 Ų364 Ų642%0.02133%0.326CS..Hα-helixtrans-67.7-43.9177.668.10000111.8T6 L226 L227 K232 Q233 Q234T6-S230 PolarHBondContact OG1-OG 2.86Å; L226-S230 PolarHBondContact O-N 2.83Å; L227-S230 PolarHBondContact O-N 3.44Å; L227-S230 VanDerWaalsContact O-N 3.14Å; L227-S230 PolarHBondContact O-OG 3.25Å; S230-K232 PolarHBondContact O-N 2.95Å; S230-Q233 PolarHBondContact O-N 2.87Å; S230-Q234 WeakPolarHBondContact O-CG 3.43Å; S230-Q234 PolarHBondContact O-N 2.66Å
231V92.6Very high93.1Very high4 Ų469.5 Ų69.52%0.02435%0.351CS..Hα-helixtrans-62.3-34.8171.6178.60000109.7E81 R83 L227 Q233 Q234 N235E81-V231 HydrophobicContact CB-CG2 3.76Å; E81-V231 HydrophobicContact CG-CG2 4.31Å; E81-V231 VanDerWaalsContact O-CG1 3.23Å; E81-V231 WeakPolarHBondContact O-CG1 3.37Å; R83-V231 HydrophobicContact CG-CB 4.31Å; R83-V231 HydrophobicContact CG-CG1 3.75Å; R83-V231 PolarHBondContact NH2-O 3.04Å; L227-V231 HydrophobicContact CD1-CG2 4.35Å; L227-V231 VanDerWaalsContact O-CG2 3.31Å; L227-V231 WeakPolarHBondContact O-CG2 3.32Å; L227-V231 PolarHBondContact O-N 2.86Å; V231-Q233 VanDerWaalsContact C-N 3.33Å; V231-Q233 PolarHBondContact O-N 2.04Å; V231-Q234 PolarHBondContact O-N 2.91Å; V231-N235 PolarHBondContact O-N 2.72Å; V231-N235 PolarHBondContact O-OD1 2.92Å
232K92.9Very high92.7Very high129 Ų12971.7 Ų71.756%0.56137%0.366SS*.Hα-helixtrans-53-53.4172.6-166.7172.8176-176.80112.3R83 C228 C229 S230 V236R83-K232 PolarHBondContact NH2-O 3.34Å; C228-K232 WeakPolarHBondContact O-CB 3.14Å; C228-K232 PolarHBondContact O-N 3.33Å; C229-K232 WeakPolarHBondContact O-CA 3.47Å; C229-K232 VanDerWaalsContact O-CB 3.27Å; C229-K232 WeakPolarHBondContact O-CB 3.44Å; C229-K232 PolarHBondContact O-N 2.93Å; S230-K232 PolarHBondContact O-N 2.95Å; K232-V236 WeakPolarHBondContact O-CG2 3.45Å; K232-V236 PolarHBondContact O-N 3.42Å
233Q91.7Very high92.2Very high104 Ų10473.7 Ų73.749%0.48637%0.372SS..Hα-helixtrans-67.1-41.6-177.1-170.2173.719.400112.2C229 S230 V231 V236 V237C229-Q233 PolarHBondContact O-N 3.07Å; S230-Q233 PolarHBondContact O-N 2.87Å; V231-Q233 VanDerWaalsContact C-N 3.33Å; V231-Q233 PolarHBondContact O-N 2.04Å; Q233-V236 PolarHBondContact O-N 2.73Å; Q233-V237 WeakPolarHBondContact O-CG2 3.21Å; Q233-V237 PolarHBondContact O-N 3.22Å; Q233-V237 VanDerWaalsContact O-N 3.08Å
234Q89.9Confident91.8Very high73 Ų7376.3 Ų76.334%0.34139%0.394SS..Hα-helixtrans-58.8-50.5-179.5-76.2167.2-39.400112.2S230 V231 V236 V237 E238S230-Q234 WeakPolarHBondContact O-CG 3.43Å; S230-Q234 PolarHBondContact O-N 2.66Å; V231-Q234 PolarHBondContact O-N 2.91Å; Q234-V236 VanDerWaalsContact C-N 3.27Å; Q234-V236 PolarHBondContact O-N 2.76Å; Q234-V237 PolarHBondContact O-N 3.26Å; Q234-V237 VanDerWaalsContact O-N 3.17Å; Q234-E238 PolarHBondContact O-N 3.09Å
235N90Very high91.3Very high53 Ų5382.8 Ų82.828%0.28343%0.428SS..Hα-helixtrans-65.7-34.4-178.4-46.38.1000111R83 V231 V237 E238 Y239R83-N235 PolarHBondContact NH2-ND2 3.34Å; V231-N235 PolarHBondContact O-N 2.72Å; V231-N235 PolarHBondContact O-OD1 2.92Å; N235-V237 VanDerWaalsContact C-N 3.34Å; N235-V237 PolarHBondContact O-N 3.43Å; N235-E238 PolarHBondContact O-N 3.11Å; N235-Y239 HydrophobicContact CB-CD2 4.31Å; N235-Y239 HydrophobicContact CB-CE2 4.11Å; N235-Y239 WeakPolarHBondContact O-CD2 3.05Å; N235-Y239 PolarHBondContact O-N 2.76Å
236V91.4Very high90.5Very high82 Ų8287 Ų8750%0.49746%0.457SS..Hα-helixtrans-62-43.8176.7172.90000110.9K232 Q233 Q234 Y239 T240K232-V236 WeakPolarHBondContact O-CG2 3.45Å; K232-V236 PolarHBondContact O-N 3.42Å; Q233-V236 PolarHBondContact O-N 2.73Å; Q234-V236 VanDerWaalsContact C-N 3.27Å; Q234-V236 PolarHBondContact O-N 2.76Å; V236-Y239 PolarHBondContact O-N 3.3Å; V236-T240 WeakPolarHBondContact O-CG2 3.27Å; V236-T240 PolarHBondContact O-N 3.33Å; V236-T240 PolarHBondContact O-OG1 2.98Å
237V89.8Confident90.2Very high65 Ų6587.5 Ų87.539%0.39446%0.46SS..Hα-helixtrans-62.6-46.2177174.70000110.8Q233 Q234 N235 Y239 T240 E241Q233-V237 WeakPolarHBondContact O-CG2 3.21Å; Q233-V237 PolarHBondContact O-N 3.22Å; Q233-V237 VanDerWaalsContact O-N 3.08Å; Q234-V237 PolarHBondContact O-N 3.26Å; Q234-V237 VanDerWaalsContact O-N 3.17Å; N235-V237 VanDerWaalsContact C-N 3.34Å; N235-V237 PolarHBondContact O-N 3.43Å; V237-Y239 PolarHBondContact O-N 3.35Å; V237-T240 WeakPolarHBondContact CA-OG1 3.38Å; V237-T240 PolarHBondContact O-N 3.01Å; V237-T240 VanDerWaalsContact O-N 3.11Å; V237-T240 PolarHBondContact O-OG1 3.34Å; V237-E241 HydrophobicContact CG1-CG 4.46Å; V237-E241 WeakPolarHBondContact O-CG 3.2Å; V237-E241 PolarHBondContact O-N 2.97Å
238E89.4Confident89.9Confident123 Ų12392.1 Ų92.158%0.57548%0.484SS*.Hα-helixtrans-59.1-44.4177.3-173176.7-173.100111.9Q234 N235 T240 E241 V242Q234-E238 PolarHBondContact O-N 3.09Å; N235-E238 PolarHBondContact O-N 3.11Å; E238-T240 VanDerWaalsContact C-N 3.34Å; E238-T240 PolarHBondContact O-N 3.39Å; E238-E241 PolarHBondContact O-N 3.42Å; E238-V242 WeakPolarHBondContact O-CG2 3.22Å; E238-V242 PolarHBondContact O-N 3.38Å
239Y90.6Very high89.6Confident168 Ų16895.2 Ų95.266%0.65950%0.498SS*.Hα-helixtrans-60.3-42174.1-78.6-65.5000112.1N235 V236 V237 V242 Q243N235-Y239 HydrophobicContact CB-CD2 4.31Å; N235-Y239 HydrophobicContact CB-CE2 4.11Å; N235-Y239 WeakPolarHBondContact O-CD2 3.05Å; N235-Y239 PolarHBondContact O-N 2.76Å; V236-Y239 PolarHBondContact O-N 3.3Å; V237-Y239 PolarHBondContact O-N 3.35Å; Y239-V242 PolarHBondContact O-N 2.92Å; Y239-Q243 WeakPolarHBondContact O-CG 3.46Å; Y239-Q243 PolarHBondContact O-N 2.93Å; Y239-Q243 VanDerWaalsContact O-N 3.1Å
240T91.4Very high89.3Confident76 Ų7696.5 Ų96.547%0.46650%0.498SS..Hα-helixtrans-66.8-38.4178.352.30000112.8V236 V237 E238 Q243 V244V236-T240 WeakPolarHBondContact O-CG2 3.27Å; V236-T240 PolarHBondContact O-N 3.33Å; V236-T240 PolarHBondContact O-OG1 2.98Å; V237-T240 WeakPolarHBondContact CA-OG1 3.38Å; V237-T240 PolarHBondContact O-N 3.01Å; V237-T240 VanDerWaalsContact O-N 3.11Å; V237-T240 PolarHBondContact O-OG1 3.34Å; E238-T240 VanDerWaalsContact C-N 3.34Å; E238-T240 PolarHBondContact O-N 3.39Å; T240-Q243 PolarHBondContact O-N 3.28Å; T240-V244 VanDerWaalsContact O-CG2 3.31Å; T240-V244 WeakPolarHBondContact O-CG2 3.49Å; T240-V244 PolarHBondContact O-N 2.76Å
241E89.2Confident89.1Confident118 Ų118102.4 Ų102.455%0.55153%0.528SS*.Hα-helixtrans-66.3-39.4176.8-71.4-178.7166.300111.7V237 E238 Q243 V244 N245V237-E241 HydrophobicContact CG1-CG 4.46Å; V237-E241 WeakPolarHBondContact O-CG 3.2Å; V237-E241 PolarHBondContact O-N 2.97Å; E238-E241 PolarHBondContact O-N 3.42Å; E241-Q243 VanDerWaalsContact C-N 3.34Å; E241-Q243 PolarHBondContact O-N 3.07Å; E241-V244 PolarHBondContact O-N 3.25Å; E241-N245 PolarHBondContact O-N 3.22Å; E241-N245 PolarHBondContact O-ND2 2.93Å
242V88.2Confident88.8Confident79 Ų79108.9 Ų108.948%0.47956%0.561SS.*Hα-helixtrans-62.6-41.5174.2173.70000111E238 Y239 N245 V246E238-V242 WeakPolarHBondContact O-CG2 3.22Å; E238-V242 PolarHBondContact O-N 3.38Å; Y239-V242 PolarHBondContact O-N 2.92Å; V242-N245 PolarHBondContact O-N 2.8Å; V242-V246 WeakPolarHBondContact O-CG2 3.17Å
243Q86.4Confident88.6Confident141 Ų141107.5 Ų107.566%0.65956%0.561SS**Hα-helixtrans-69.7-30.9179-67.7-63.1-63.200113.8Y239 T240 E241 N245Y239-Q243 WeakPolarHBondContact O-CG 3.46Å; Y239-Q243 PolarHBondContact O-N 2.93Å; Y239-Q243 VanDerWaalsContact O-N 3.1Å; T240-Q243 PolarHBondContact O-N 3.28Å; E241-Q243 VanDerWaalsContact C-N 3.34Å; E241-Q243 PolarHBondContact O-N 3.07Å; Q243-N245 VanDerWaalsContact C-N 3.3Å
244V87.8Confident88.3Confident118 Ų118107.8 Ų107.872%0.71557%0.567SS**Hα-helixtrans-73.9-24.3177.3171.70000112T240 E241T240-V244 VanDerWaalsContact O-CG2 3.31Å; T240-V244 WeakPolarHBondContact O-CG2 3.49Å; T240-V244 PolarHBondContact O-N 2.76Å; E241-V244 PolarHBondContact O-N 3.25Å
245N85.9Confident88.2Confident136 Ų136110.7 Ų110.773%0.72759%0.586SS**THydrogen-bonded Turntrans-95.95.3-176.2-69-42.8000114.6E241 V242 Q243E241-N245 PolarHBondContact O-N 3.22Å; E241-N245 PolarHBondContact O-ND2 2.93Å; V242-N245 PolarHBondContact O-N 2.8Å; Q243-N245 VanDerWaalsContact C-N 3.3Å
246V78.2Confident88Confident169 Ų169115.9 Ų115.9100%1.02461%0.613SS**  trans-107.80175.3176.60000109.4V242V242-V246 WeakPolarHBondContact O-CG2 3.17Å

Retrieved 246 of 246 residues in 78.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).