A0A093HK24_STRCA Loading...

Transmembrane protein 204

Can influence paracellular permeability. Appears to be involved in cell-cell interactions through adherens.

AlphaFold DB , UniProt , Accession A0A093HK24, Species STRCA (Struthio camelus australis), Gene n/a, Length 226 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M54.7Low77.4Confident193 Ų19377.9 Ų77.995%0.95142%0.415SS*.  0-35.70-81.9-165.1171.400114.3K5M1-K5 WeakPolarHBondContact O-CG 3.24Å
2T62.8Low78.6Confident108 Ų10880.4 Ų80.466%0.66343%0.427SS*.Hα-helixtrans-69.6-38.2178.445.20000113.3K5 L6T2-K5 WeakPolarHBondContact O-CB 3.46Å; T2-K5 PolarHBondContact O-N 3.07Å; T2-L6 PolarHBondContact O-N 2.79Å; T2-L6 VanDerWaalsContact O-N 3.12Å
3V64.5Low79.7Confident48 Ų4876.1 Ų76.129%0.29141%0.406SS..Hα-helixtrans-63.7-48.9-179.5-179.50000112.5K5 L6 V7V3-K5 PolarHBondContact O-N 2.9Å; V3-L6 WeakPolarHBondContact O-CB 3.43Å; V3-L6 PolarHBondContact O-N 3.38Å; V3-V7 PolarHBondContact O-N 2.97Å
4Q70.6Confident80.5Confident147 Ų14770.6 Ų70.669%0.68738%0.377SS*.Hα-helixtrans-59.7-34.8175.4-80.9177.9-32.400112.7A8Q4-A8 VanDerWaalsContact O-CB 3.25Å; Q4-A8 WeakPolarHBondContact O-CB 3.44Å; Q4-A8 PolarHBondContact O-N 2.8Å
5K80.1Confident81.3Confident147 Ų14770.5 Ų70.564%0.63938%0.375SS*.Hα-helixtrans-66.4-38175.1-71.7-178.7178.7-174.70111.9M1 T2 V3 T9M1-K5 WeakPolarHBondContact O-CG 3.24Å; T2-K5 WeakPolarHBondContact O-CB 3.46Å; T2-K5 PolarHBondContact O-N 3.07Å; V3-K5 PolarHBondContact O-N 2.9Å; K5-T9 WeakPolarHBondContact O-CB 3.48Å; K5-T9 PolarHBondContact O-N 2.97Å; K5-T9 PolarHBondContact O-OG1 2.97Å
6L82.9Confident82.1Confident81 Ų8170 Ų7042%0.42438%0.376SS..Hα-helixtrans-66.4-48.1176.4-78.4163.6000111.7T2 V3 A8 T9 A10 I185T2-L6 PolarHBondContact O-N 2.79Å; T2-L6 VanDerWaalsContact O-N 3.12Å; V3-L6 WeakPolarHBondContact O-CB 3.43Å; V3-L6 PolarHBondContact O-N 3.38Å; L6-A8 PolarHBondContact O-N 3.15Å; L6-T9 WeakPolarHBondContact O-CB 3.49Å; L6-T9 PolarHBondContact O-N 3.28Å; L6-A10 PolarHBondContact O-N 3.35Å; L6-I185 HydrophobicContact CD2-CG2 4.49Å
7V83.1Confident82.6Confident10 Ų1065.9 Ų65.96%0.06135%0.353CS..Hα-helixtrans-60.6-46.5177178.50000110.5V3 T9 A10 V11 F117 L186V3-V7 PolarHBondContact O-N 2.97Å; V7-T9 VanDerWaalsContact C-N 3.29Å; V7-T9 PolarHBondContact O-N 2.96Å; V7-A10 PolarHBondContact O-N 3Å; V7-V11 HydrophobicContact CG1-CG2 4.41Å; V7-V11 VanDerWaalsContact O-CG2 3.28Å; V7-V11 WeakPolarHBondContact O-CG2 3.38Å; V7-V11 PolarHBondContact O-N 3.46Å; V7-F117 HydrophobicContact CG1-CD2 4.03Å; V7-F117 HydrophobicContact CG1-CE2 3.84Å; V7-L186 HydrophobicContact CB-CD2 4.3Å; V7-L186 HydrophobicContact CG1-CD2 4.06Å; V7-L186 HydrophobicContact CG2-CD2 4.12Å
8A86.1Confident83Confident43 Ų4363.8 Ų63.836%0.35534%0.342SS..Hα-helixtrans-60.1-38.517600000112.6Q4 L6 V11 L12 F117Q4-A8 VanDerWaalsContact O-CB 3.25Å; Q4-A8 WeakPolarHBondContact O-CB 3.44Å; Q4-A8 PolarHBondContact O-N 2.8Å; L6-A8 PolarHBondContact O-N 3.15Å; A8-V11 PolarHBondContact O-N 3.12Å; A8-L12 WeakPolarHBondContact O-CB 3.49Å; A8-L12 PolarHBondContact O-N 2.83Å; A8-F117 HydrophobicContact CB-CZ 4.29Å
9T89.1Confident83.5Confident74 Ų7465.6 Ų65.645%0.45435%0.351SS..Hα-helixtrans-65.2-45.1175.6-55.70000111K5 L6 V7 V11 L12 V13K5-T9 WeakPolarHBondContact O-CB 3.48Å; K5-T9 PolarHBondContact O-N 2.97Å; K5-T9 PolarHBondContact O-OG1 2.97Å; L6-T9 WeakPolarHBondContact O-CB 3.49Å; L6-T9 PolarHBondContact O-N 3.28Å; V7-T9 VanDerWaalsContact C-N 3.29Å; V7-T9 PolarHBondContact O-N 2.96Å; T9-V11 VanDerWaalsContact C-N 3.32Å; T9-V11 PolarHBondContact O-N 2.95Å; T9-L12 WeakPolarHBondContact O-CB 3.44Å; T9-L12 PolarHBondContact O-N 2.96Å; T9-V13 WeakPolarHBondContact O-CG2 3.43Å; T9-V13 PolarHBondContact O-N 3.27Å
10A88.1Confident83.7Confident0 Ų064.5 Ų64.50%034%0.344CS..Hα-helixtrans-61.7-41.4177.500000111.9L6 V7 V13 A14 A182 I185 L186L6-A10 PolarHBondContact O-N 3.35Å; V7-A10 PolarHBondContact O-N 3Å; A10-V13 PolarHBondContact O-N 3.27Å; A10-A14 PolarHBondContact O-N 2.93Å; A10-A182 WeakPolarHBondContact O-CB 3.25Å; A10-I185 HydrophobicContact CB-CB 4.1Å; A10-I185 HydrophobicContact CB-CG2 3.88Å; A10-L186 HydrophobicContact CB-CD1 4.44Å; A10-L186 HydrophobicContact CB-CD2 3.76Å; A10-L186 HydrophobicContact CB-CG 3.75Å
11V89.1Confident83.9Confident6 Ų661.4 Ų61.44%0.03633%0.328CS..Hα-helixtrans-64.7-41.3176.1173.30000111.2V7 A8 T9 V13 A14 L15 Q114 F117 F142V7-V11 HydrophobicContact CG1-CG2 4.41Å; V7-V11 VanDerWaalsContact O-CG2 3.28Å; V7-V11 WeakPolarHBondContact O-CG2 3.38Å; V7-V11 PolarHBondContact O-N 3.46Å; A8-V11 PolarHBondContact O-N 3.12Å; T9-V11 VanDerWaalsContact C-N 3.32Å; T9-V11 PolarHBondContact O-N 2.95Å; V11-V13 PolarHBondContact O-N 3.06Å; V11-A14 PolarHBondContact O-N 3.35Å; V11-L15 WeakPolarHBondContact O-CB 3.21Å; V11-L15 PolarHBondContact O-N 3.17Å; V11-Q114 PolarHBondContact O-NE2 3.01Å; V11-F117 HydrophobicContact CB-CD1 4.29Å; V11-F117 HydrophobicContact CB-CE1 4.43Å; V11-F117 HydrophobicContact CB-CG 4.32Å; V11-F117 HydrophobicContact CG1-CB 4.27Å; V11-F117 HydrophobicContact CG1-CD1 3.63Å; V11-F117 HydrophobicContact CG1-CE1 4.02Å; V11-F117 HydrophobicContact CG1-CG 3.93Å; V11-F117 HydrophobicContact CG2-CB 4.04Å; V11-F117 HydrophobicContact CG2-CD1 4.17Å; V11-F117 HydrophobicContact CG2-CD2 3.68Å; V11-F117 HydrophobicContact CG2-CE2 4.12Å; V11-F117 HydrophobicContact CG2-CG 3.69Å; V11-F142 HydrophobicContact CG2-CE2 4.3Å; V11-F142 HydrophobicContact CG2-CZ 4.45Å
12L92.3Very high85.4Confident108 Ų10854.3 Ų54.357%0.56529%0.294SS*.Hα-helixtrans-60.5-44.6174.1-176.170.2000111.6A8 T9 A14 L15 V16A8-L12 WeakPolarHBondContact O-CB 3.49Å; A8-L12 PolarHBondContact O-N 2.83Å; T9-L12 WeakPolarHBondContact O-CB 3.44Å; T9-L12 PolarHBondContact O-N 2.96Å; L12-A14 VanDerWaalsContact C-N 3.34Å; L12-A14 PolarHBondContact O-N 3.48Å; L12-L15 WeakPolarHBondContact O-CB 3.46Å; L12-L15 PolarHBondContact O-N 3.04Å; L12-L15 VanDerWaalsContact O-N 3.16Å; L12-V16 WeakPolarHBondContact O-CG2 3.45Å; L12-V16 PolarHBondContact O-N 2.67Å
13V92.3Very high86.4Confident24 Ų2451 Ų5115%0.14528%0.277CS..Hα-helixtrans-60.2-44.5175.4171.90000110.9T9 A10 V11 L15 V16 S17 L178 L181 A182T9-V13 WeakPolarHBondContact O-CG2 3.43Å; T9-V13 PolarHBondContact O-N 3.27Å; A10-V13 PolarHBondContact O-N 3.27Å; V11-V13 PolarHBondContact O-N 3.06Å; V13-L15 VanDerWaalsContact C-N 3.28Å; V13-L15 PolarHBondContact O-N 3.18Å; V13-V16 PolarHBondContact O-N 2.85Å; V13-S17 PolarHBondContact O-N 2.94Å; V13-L178 HydrophobicContact CG1-CB 4Å; V13-L178 HydrophobicContact CG1-CD2 3.93Å; V13-L178 VanDerWaalsContact CG1-O 3.26Å; V13-L178 WeakPolarHBondContact CG1-O 3.5Å; V13-L181 HydrophobicContact CB-CD2 4.47Å; V13-L181 HydrophobicContact CG1-CD2 3.74Å; V13-L181 HydrophobicContact CG2-CD2 4.11Å; V13-A182 HydrophobicContact CB-CB 4.21Å; V13-A182 HydrophobicContact CG1-CB 3.98Å
14A90.6Very high87.2Confident0 Ų048.7 Ų48.70%026%0.263CS..Hα-helixtrans-64.4-31.8176.200000112.6A10 V11 L12 S17 L18 L110 F142 A182A10-A14 PolarHBondContact O-N 2.93Å; V11-A14 PolarHBondContact O-N 3.35Å; L12-A14 VanDerWaalsContact C-N 3.34Å; L12-A14 PolarHBondContact O-N 3.48Å; A14-S17 WeakPolarHBondContact O-CB 3.48Å; A14-S17 PolarHBondContact O-N 3.11Å; A14-L18 PolarHBondContact O-N 3.02Å; A14-L110 HydrophobicContact CB-CD2 4.21Å; A14-F142 HydrophobicContact CB-CD1 4.2Å; A14-F142 HydrophobicContact CB-CD2 3.97Å; A14-F142 HydrophobicContact CB-CE1 3.79Å; A14-F142 HydrophobicContact CB-CE2 3.55Å; A14-F142 HydrophobicContact CB-CG 4.3Å; A14-F142 HydrophobicContact CB-CZ 3.46Å; A14-F142 VanDerWaalsContact CB-CZ 3.46Å; A14-A182 HydrophobicContact CB-CB 3.86Å
15L92.9Very high87.5Confident68 Ų6841.8 Ų41.836%0.35623%0.231SC..Hα-helixtrans-68.8-40174.3-174.3141.6000111.5V11 L12 V13 S17 L18 I19V11-L15 WeakPolarHBondContact O-CB 3.21Å; V11-L15 PolarHBondContact O-N 3.17Å; L12-L15 WeakPolarHBondContact O-CB 3.46Å; L12-L15 PolarHBondContact O-N 3.04Å; L12-L15 VanDerWaalsContact O-N 3.16Å; V13-L15 VanDerWaalsContact C-N 3.28Å; V13-L15 PolarHBondContact O-N 3.18Å; L15-S17 VanDerWaalsContact C-N 3.33Å; L15-L18 WeakPolarHBondContact O-CB 3.47Å; L15-L18 PolarHBondContact O-N 2.91Å; L15-I19 HydrophobicContact CD2-CD1 3.68Å; L15-I19 WeakPolarHBondContact O-CG1 3.46Å; L15-I19 PolarHBondContact O-N 2.8Å
16V93.4Very high87.2Confident63 Ų6341.2 Ų41.238%0.38223%0.229SC..Hα-helixtrans-62.7-42.4171.7179.40000110.5L12 V13 L18 I19 L20 L178L12-V16 WeakPolarHBondContact O-CG2 3.45Å; L12-V16 PolarHBondContact O-N 2.67Å; V13-V16 PolarHBondContact O-N 2.85Å; V16-L18 VanDerWaalsContact C-N 3.33Å; V16-L18 PolarHBondContact O-N 2.78Å; V16-I19 PolarHBondContact O-N 2.9Å; V16-L20 HydrophobicContact CG1-CD1 4.01Å; V16-L20 HydrophobicContact CG1-CG 4.39Å; V16-L20 WeakPolarHBondContact O-CG 3.33Å; V16-L20 PolarHBondContact O-N 3.48Å; V16-L178 HydrophobicContact CB-CD1 4.36Å; V16-L178 HydrophobicContact CG1-CD1 3.75Å
17S90.8Very high86.7Confident0 Ų039.2 Ų39.20%022%0.221CC..Hα-helixtrans-57.2-45.2173.5176.50000112V13 A14 L15 I19 L20 N21 A175V13-S17 PolarHBondContact O-N 2.94Å; A14-S17 WeakPolarHBondContact O-CB 3.48Å; A14-S17 PolarHBondContact O-N 3.11Å; L15-S17 VanDerWaalsContact C-N 3.33Å; S17-I19 PolarHBondContact O-N 3.06Å; S17-L20 PolarHBondContact O-N 3.17Å; S17-N21 WeakPolarHBondContact O-CB 3.33Å; S17-N21 PolarHBondContact O-N 3.04Å; S17-A175 WeakPolarHBondContact CB-O 3.42Å; S17-A175 PolarHBondContact OG-O 2.89Å
18L90.6Very high85.6Confident28 Ų2840 Ų4015%0.14723%0.226CC..Hα-helixtrans-58.4-46.4176.6-179.479.4000111.5A14 L15 V16 N21 N22 T107 L110 T111A14-L18 PolarHBondContact O-N 3.02Å; L15-L18 WeakPolarHBondContact O-CB 3.47Å; L15-L18 PolarHBondContact O-N 2.91Å; V16-L18 VanDerWaalsContact C-N 3.33Å; V16-L18 PolarHBondContact O-N 2.78Å; L18-N21 PolarHBondContact O-N 3.46Å; L18-N22 PolarHBondContact O-N 3.48Å; L18-N22 PolarHBondContact O-ND2 2.85Å; L18-T107 HydrophobicContact CD1-CG2 4.04Å; L18-L110 HydrophobicContact CB-CB 4.22Å; L18-L110 HydrophobicContact CB-CD1 4.14Å; L18-L110 HydrophobicContact CD1-CB 3.55Å; L18-L110 HydrophobicContact CD1-CD1 4.22Å; L18-L110 HydrophobicContact CG-CB 4.46Å; L18-T111 HydrophobicContact CD1-CG2 3.73Å; L18-T111 HydrophobicContact CD2-CG2 4.07Å
19I91.5Very high84.7Confident99 Ų9939.6 Ų39.651%0.50822%0.218SC..Hα-helixtrans-62.3-46.6179.1-67.3167.2000110.2L15 V16 S17 N21 N22 A23L15-I19 HydrophobicContact CD2-CD1 3.68Å; L15-I19 WeakPolarHBondContact O-CG1 3.46Å; L15-I19 PolarHBondContact O-N 2.8Å; V16-I19 PolarHBondContact O-N 2.9Å; S17-I19 PolarHBondContact O-N 3.06Å; I19-N21 PolarHBondContact O-N 3.42Å; I19-N22 PolarHBondContact O-N 2.78Å; I19-A23 VanDerWaalsContact O-CB 3.27Å; I19-A23 WeakPolarHBondContact O-CB 3.28Å; I19-A23 PolarHBondContact O-N 3.15Å
20L87.8Confident83.7Confident42 Ų4236.2 Ų36.222%0.2220%0.197CC..Hα-helixtrans-64.9-39.1179.2-68.7171.7000112V16 S17 A23 A24 L171 A175 L178V16-L20 HydrophobicContact CG1-CD1 4.01Å; V16-L20 HydrophobicContact CG1-CG 4.39Å; V16-L20 WeakPolarHBondContact O-CG 3.33Å; V16-L20 PolarHBondContact O-N 3.48Å; S17-L20 PolarHBondContact O-N 3.17Å; L20-A23 PolarHBondContact O-N 3.34Å; L20-A24 VanDerWaalsContact O-CB 3.27Å; L20-A24 WeakPolarHBondContact O-CB 3.47Å; L20-A24 PolarHBondContact O-N 2.86Å; L20-L171 HydrophobicContact CD2-CD2 3.85Å; L20-A175 HydrophobicContact CB-CB 3.84Å; L20-L178 HydrophobicContact CD1-CD1 3.5Å; L20-L178 VanDerWaalsContact CD1-CD1 3.5Å
21N88Confident82.6Confident0 Ų036.4 Ų36.40%020%0.198CC..Hα-helixtrans-62.5-43.7176.2-176.155.3000111.8S17 L18 I19 A25 N103 T107 L149 A175S17-N21 WeakPolarHBondContact O-CB 3.33Å; S17-N21 PolarHBondContact O-N 3.04Å; L18-N21 PolarHBondContact O-N 3.46Å; I19-N21 PolarHBondContact O-N 3.42Å; N21-A25 WeakPolarHBondContact O-CB 3.26Å; N21-A25 PolarHBondContact O-N 2.98Å; N21-N103 PolarHBondContact ND2-O 3.36Å; N21-N103 PolarHBondContact ND2-OD1 2.84Å; N21-N103 PolarHBondContact O-ND2 3.21Å; N21-N103 PolarHBondContact OD1-ND2 3.3Å; N21-T107 PolarHBondContact ND2-OG1 3.19Å; N21-L149 WeakPolarHBondContact OD1-CD2 3.35Å; N21-A175 HydrophobicContact CB-CB 4.1Å
22N86.9Confident81.4Confident44 Ų4441.4 Ų41.424%0.23522%0.217CC..Hα-helixtrans-69-44176.1-79.7-78.3000111.7L18 I19 A24 A25 F26L18-N22 PolarHBondContact O-N 3.48Å; L18-N22 PolarHBondContact O-ND2 2.85Å; I19-N22 PolarHBondContact O-N 2.78Å; N22-A24 VanDerWaalsContact C-N 3.29Å; N22-A24 PolarHBondContact O-N 2.94Å; N22-A25 WeakPolarHBondContact O-CB 3.47Å; N22-A25 PolarHBondContact O-N 2.91Å; N22-A25 VanDerWaalsContact O-N 3.08Å; N22-F26 HydrophobicContact CB-CD2 4.32Å; N22-F26 HydrophobicContact CB-CE2 4.31Å; N22-F26 WeakPolarHBondContact O-CD2 3.21Å; N22-F26 PolarHBondContact O-N 3.37Å
23A84.6Confident80.1Confident38 Ų3838.1 Ų38.131%0.31420%0.199SC..Hα-helixtrans-59.9-42176.100000111.2I19 L20 T27 L171I19-A23 VanDerWaalsContact O-CB 3.27Å; I19-A23 WeakPolarHBondContact O-CB 3.28Å; I19-A23 PolarHBondContact O-N 3.15Å; L20-A23 PolarHBondContact O-N 3.34Å; A23-T27 WeakPolarHBondContact O-CB 3.49Å; A23-T27 WeakPolarHBondContact O-CG2 3.18Å; A23-T27 PolarHBondContact O-N 2.98Å; A23-T27 VanDerWaalsContact O-N 3.14Å; A23-T27 PolarHBondContact O-OG1 3.48Å; A23-L171 HydrophobicContact CB-CD1 4.33Å
24A80.4Confident78.6Confident0 Ų042.2 Ų42.20%022%0.224CC..Hα-helixtrans-58.9-51.8170.800000109.9L20 N22 F26 T27 W30 L171 N172L20-A24 VanDerWaalsContact O-CB 3.27Å; L20-A24 WeakPolarHBondContact O-CB 3.47Å; L20-A24 PolarHBondContact O-N 2.86Å; N22-A24 VanDerWaalsContact C-N 3.29Å; N22-A24 PolarHBondContact O-N 2.94Å; A24-F26 PolarHBondContact O-N 3Å; A24-T27 PolarHBondContact O-N 3.16Å; A24-T27 PolarHBondContact O-OG1 3.31Å; A24-T27 VanDerWaalsContact O-OG1 3.05Å; A24-W30 HydrophobicContact CB-CH2 4.24Å; A24-W30 HydrophobicContact CB-CZ2 3.7Å; A24-W30 PolarHBondContact O-NE1 3.31Å; A24-L171 HydrophobicContact CB-CB 3.99Å; A24-N172 HydrophobicContact CB-CB 4.16Å
25A77.4Confident77.2Confident2 Ų243.4 Ų43.42%0.01723%0.23CC..Hα-helixtrans-55.5-47.6-178.700000113.5N21 N22 N103N21-A25 WeakPolarHBondContact O-CB 3.26Å; N21-A25 PolarHBondContact O-N 2.98Å; N22-A25 WeakPolarHBondContact O-CB 3.47Å; N22-A25 PolarHBondContact O-N 2.91Å; N22-A25 VanDerWaalsContact O-N 3.08Å; A25-N103 WeakPolarHBondContact CB-OD1 3.21Å
26F73.7Confident75.4Confident135 Ų13548.7 Ų48.759%0.59225%0.253SS*.Hα-helixtrans-82.7-14.9-173.3-71-66.1000114.4N22 A24N22-F26 HydrophobicContact CB-CD2 4.32Å; N22-F26 HydrophobicContact CB-CE2 4.31Å; N22-F26 WeakPolarHBondContact O-CD2 3.21Å; N22-F26 PolarHBondContact O-N 3.37Å; A24-F26 PolarHBondContact O-N 3Å
27T71.7Confident73.8Confident40 Ų4051.3 Ų51.325%0.24527%0.265CS..  trans-81.5131.9179.343.30000111.3A23 A24 N29 W30 S168A23-T27 WeakPolarHBondContact O-CB 3.49Å; A23-T27 WeakPolarHBondContact O-CG2 3.18Å; A23-T27 PolarHBondContact O-N 2.98Å; A23-T27 VanDerWaalsContact O-N 3.14Å; A23-T27 PolarHBondContact O-OG1 3.48Å; A24-T27 PolarHBondContact O-N 3.16Å; A24-T27 PolarHBondContact O-OG1 3.31Å; A24-T27 VanDerWaalsContact O-OG1 3.05Å; T27-N29 PolarHBondContact O-N 3.47Å; T27-W30 VanDerWaalsContact O-CD1 3.26Å; T27-S168 WeakPolarHBondContact CB-OG 3.35Å; T27-S168 PolarHBondContact OG1-OG 2.95Å
28P59.3Low72.3Confident26 Ų2653.5 Ų53.517%0.16929%0.287CS..SBendtrans-75.614-178.231.3-35.7000114.1S42 V43 G44 K47 C49P28-S42 CarbonylContact O-C 3.57Å; P28-S42 VanDerWaalsContact O-C 3.23Å; P28-S42 VanDerWaalsContact O-CB 3.29Å; P28-S42 WeakPolarHBondContact O-CB 3.48Å; P28-S42 PolarHBondContact O-OG 3.46Å; P28-V43 CarbonylContact O-C 3.17Å; P28-V43 PolarHBondContact O-N 3.24Å; P28-G44 PolarHBondContact O-N 3.23Å; P28-K47 HydrophobicContact CB-CB 4.39Å; P28-C49 HydrophobicContact CB-CB 4.45Å
29N67.9Low70.9Confident35 Ų3559 Ų5919%0.18731%0.306CS..  trans-112.555.4-169.8-66.2-21.9000111.6T27 S166 S168T27-N29 PolarHBondContact O-N 3.47Å; N29-S166 WeakPolarHBondContact O-CB 3.35Å; N29-S166 PolarHBondContact O-OG 3.24Å; N29-S168 VanDerWaalsContact C-OG 3.28Å; N29-S168 WeakPolarHBondContact O-CB 3.28Å; N29-S168 PolarHBondContact O-N 3Å; N29-S168 PolarHBondContact O-OG 3.11Å
30W67.3Low69.8Low3 Ų359.9 Ų59.91%0.01131%0.306CS..SBendtrans-93-33.4173.4-75.873000113.5A24 T27 V43 G44 L45 M99 F156 S166 N172A24-W30 HydrophobicContact CB-CH2 4.24Å; A24-W30 HydrophobicContact CB-CZ2 3.7Å; A24-W30 PolarHBondContact O-NE1 3.31Å; T27-W30 VanDerWaalsContact O-CD1 3.26Å; W30-V43 WeakPolarHBondContact CA-O 3.18Å; W30-V43 VanDerWaalsContact CB-O 3.32Å; W30-V43 WeakPolarHBondContact CB-O 3.47Å; W30-V43 PolarHBondContact N-O 2.87Å; W30-G44 VanDerWaalsContact CD1-CA 3.5Å; W30-L45 HydrophobicContact CD2-CD1 3.87Å; W30-L45 HydrophobicContact CE3-CD1 4.24Å; W30-L45 HydrophobicContact CG-CD1 4.32Å; W30-L45 HydrophobicContact CH2-CD1 4.44Å; W30-L45 HydrophobicContact CZ2-CD1 4.07Å; W30-M99 HydrophobicContact CE3-CE 4.5Å; W30-M99 HydrophobicContact CH2-CE 3.3Å; W30-M99 HydrophobicContact CZ2-CE 4.44Å; W30-M99 HydrophobicContact CZ3-CE 3.35Å; W30-F156 HydrophobicContact CB-CZ 4.48Å; W30-F156 HydrophobicContact CE3-CE2 4.39Å; W30-F156 HydrophobicContact CE3-CZ 4.24Å; W30-S166 VanDerWaalsContact CA-OG 3.25Å; W30-S166 WeakPolarHBondContact CA-OG 3.32Å; W30-S166 PolarHBondContact N-OG 3.44Å; W30-S166 PolarHBondContact O-OG 2.95Å; W30-N172 HydrophobicContact CH2-CB 3.7Å; W30-N172 HydrophobicContact CZ3-CB 4.21Å
31V66.1Low68.9Low4 Ų458.8 Ų58.82%0.02430%0.299CS..EExtended strand (participates in β ladder)trans-144.4131.2174.7-175.10000109.1Q33 V43 F96 F156 T163 S166V31-Q33 HydrophobicContact CG1-CG 3.73Å; V31-V43 PolarHBondContact N-O 3.27Å; V31-V43 PolarHBondContact O-N 3.04Å; V31-F96 HydrophobicContact CG2-CZ 4.42Å; V31-F156 HydrophobicContact CG2-CE2 4.05Å; V31-F156 HydrophobicContact CG2-CZ 3.5Å; V31-F156 VanDerWaalsContact CG2-CZ 3.5Å; V31-T163 HydrophobicContact CG1-CG2 3.48Å; V31-T163 VanDerWaalsContact CG1-CG2 3.48Å; V31-S166 PolarHBondContact N-OG 2.93Å
32Y64.2Low68Low111 Ų11159 Ų5944%0.43530%0.3SS..EExtended strand (participates in β ladder)trans-87.9120.5162.8-73.1-75000109.3
33Q65Low67.1Low39 Ų3956.9 Ų56.918%0.18229%0.289CS..EExtended strand (participates in β ladder)trans-114132.3176.5-64.7-178.2-3.900110V31 K40 R41 V43V31-Q33 HydrophobicContact CG1-CG 3.73Å; Q33-K40 WeakPolarHBondContact O-CA 3.47Å; Q33-R41 HydrophobicContact CB-CG 3.95Å; Q33-R41 PolarHBondContact N-O 3.33Å; Q33-R41 PolarHBondContact O-N 2.93Å; Q33-R41 VanDerWaalsContact OE1-CZ 3.28Å; Q33-V43 HydrophobicContact CG-CG2 4.43Å
34T60.6Low66.4Low110 Ų11055.1 Ų55.168%0.67528%0.275SS*.EExtended strand (participates in β ladder)trans-99.7116.6169.952.20000108.1K40T34-K40 HydrophobicContact CG2-CD 4.43Å; T34-K40 HydrophobicContact CG2-CG 4.16Å
35L60.2Low65.7Low24 Ų2455.1 Ų55.113%0.12628%0.275CS..  trans-69.3154.5174.3-12469.1000110.4D37 G38 R39 W50 F85L35-D37 PolarHBondContact O-N 2.92Å; L35-G38 PolarHBondContact O-N 2.9Å; L35-R39 HydrophobicContact CB-CB 4.44Å; L35-R39 VanDerWaalsContact CB-O 3.31Å; L35-R39 WeakPolarHBondContact CB-O 3.41Å; L35-R39 PolarHBondContact N-O 3.08Å; L35-W50 HydrophobicContact CD2-CH2 4.41Å; L35-W50 HydrophobicContact CD2-CZ3 4.33Å; L35-F85 HydrophobicContact CD1-CD2 3.63Å; L35-F85 HydrophobicContact CD1-CE2 3.27Å; L35-F85 HydrophobicContact CD1-CZ 4.23Å; L35-F85 HydrophobicContact CD2-CE2 4.17Å; L35-F85 HydrophobicContact CG-CD2 4.31Å; L35-F85 HydrophobicContact CG-CE2 3.47Å; L35-F85 VanDerWaalsContact CG-CE2 3.47Å; L35-F85 HydrophobicContact CG-CZ 3.99Å
36E56.7Low65.4Low179 Ų17958 Ų5884%0.83629%0.285SS*.THydrogen-bonded Turntrans-56.7-29.7173.2-66-173.9152.600112.3G38 F85E36-G38 PolarHBondContact O-N 3.19Å; E36-F85 HydrophobicContact CG-CE1 4.46Å
37D59.7Low65.4Low119 Ų11956.6 Ų56.664%0.63628%0.279SS*.THydrogen-bonded Turntrans-74.34.5174.1-66.1-24.9000114.5L35 R39L35-D37 PolarHBondContact O-N 2.92Å; D37-R39 VanDerWaalsContact C-N 3.25Å; D37-R39 PolarHBondContact O-N 2.94Å; D37-R39 IonicContact OD2-NH2 3.1Å
38G59.7Low65.4Low45 Ų4554.9 Ų54.946%0.46427%0.268SS..SBendtrans80.5-10.5-178.200000115.6L35 E36L35-G38 PolarHBondContact O-N 2.9Å; E36-G38 PolarHBondContact O-N 3.19Å
39R59.9Low66.1Low145 Ų14553.9 Ų53.955%0.54726%0.261SS..  trans-68.5137.1174.4-86.9177.8-94.8161.4-1.5111.4L35 D37L35-R39 HydrophobicContact CB-CB 4.44Å; L35-R39 VanDerWaalsContact CB-O 3.31Å; L35-R39 WeakPolarHBondContact CB-O 3.41Å; L35-R39 PolarHBondContact N-O 3.08Å; D37-R39 VanDerWaalsContact C-N 3.25Å; D37-R39 PolarHBondContact O-N 2.94Å; D37-R39 IonicContact OD2-NH2 3.1Å
40K68.3Low66.3Low117 Ų11755 Ų5551%0.50926%0.263SS..EExtended strand (participates in β ladder)trans-103.6136.5178.6-57.6-174-178.8170.50109.9Q33 T34 L51Q33-K40 WeakPolarHBondContact O-CA 3.47Å; T34-K40 HydrophobicContact CG2-CD 4.43Å; T34-K40 HydrophobicContact CG2-CG 4.16Å; K40-L51 HydrophobicContact CB-CB 4.04Å; K40-L51 HydrophobicContact CB-CD2 4.1Å; K40-L51 HydrophobicContact CD-CD2 4.35Å; K40-L51 VanDerWaalsContact O-CB 3.31Å; K40-L51 WeakPolarHBondContact O-CB 3.45Å; K40-L51 PolarHBondContact O-N 3.35Å
41R69.3Low66.2Low19 Ų1958 Ų587%0.07228%0.279CS..EExtended strand (participates in β ladder)trans-130138.3173.867.2-177.7-173.7175.62.5110.9Q33 V43 C49 W50Q33-R41 HydrophobicContact CB-CG 3.95Å; Q33-R41 PolarHBondContact N-O 3.33Å; Q33-R41 PolarHBondContact O-N 2.93Å; Q33-R41 VanDerWaalsContact OE1-CZ 3.28Å; R41-V43 HydrophobicContact CG-CG2 4.25Å; R41-C49 WeakPolarHBondContact CA-O 3.4Å; R41-W50 HydrophobicContact CB-CD2 4.4Å; R41-W50 HydrophobicContact CB-CE3 3.92Å; R41-W50 HydrophobicContact CB-CZ3 4.16Å
42S68.8Low65.8Low4 Ų461 Ų613%0.02830%0.304CS..EExtended strand (participates in β ladder)trans-96.9117.6170.5600000108.1P28 M48 C49P28-S42 CarbonylContact O-C 3.57Å; P28-S42 VanDerWaalsContact O-C 3.23Å; P28-S42 VanDerWaalsContact O-CB 3.29Å; P28-S42 WeakPolarHBondContact O-CB 3.48Å; P28-S42 PolarHBondContact O-OG 3.46Å; S42-M48 WeakPolarHBondContact O-CA 3.27Å; S42-C49 PolarHBondContact N-O 3.49Å; S42-C49 PolarHBondContact O-N 2.87Å; S42-C49 PolarHBondContact OG-O 3.02Å
43V68.4Low65.1Low0 Ų063 Ų630%032%0.318CS..EExtended strand (participates in β ladder)trans-99.8124.6177.7-175.50000107.7P28 W30 V31 Q33 R41 L76P28-V43 CarbonylContact O-C 3.17Å; P28-V43 PolarHBondContact O-N 3.24Å; W30-V43 WeakPolarHBondContact CA-O 3.18Å; W30-V43 VanDerWaalsContact CB-O 3.32Å; W30-V43 WeakPolarHBondContact CB-O 3.47Å; W30-V43 PolarHBondContact N-O 2.87Å; V31-V43 PolarHBondContact N-O 3.27Å; V31-V43 PolarHBondContact O-N 3.04Å; Q33-V43 HydrophobicContact CG-CG2 4.43Å; R41-V43 HydrophobicContact CG-CG2 4.25Å; V43-L76 HydrophobicContact CG1-CD1 4.08Å
44G68.8Low64.5Low1 Ų170 Ų701%0.0135%0.347CS..  trans-112.4-176.616600000112.4P28 W30 K47P28-G44 PolarHBondContact O-N 3.23Å; W30-G44 VanDerWaalsContact CD1-CA 3.5Å; G44-K47 CarbonylContact C-O 3.57Å; G44-K47 WeakPolarHBondContact CA-O 3.36Å; G44-K47 PolarHBondContact N-O 3.3Å
45L67.3Low63.7Low0 Ų067.5 Ų67.50%034%0.343CS..SBendtrans-64.7-42.7-176.3-122.772.9000112.3W30 M99 R100 N103W30-L45 HydrophobicContact CD2-CD1 3.87Å; W30-L45 HydrophobicContact CE3-CD1 4.24Å; W30-L45 HydrophobicContact CG-CD1 4.32Å; W30-L45 HydrophobicContact CH2-CD1 4.44Å; W30-L45 HydrophobicContact CZ2-CD1 4.07Å; L45-M99 HydrophobicContact CD1-CG 3.85Å; L45-R100 HydrophobicContact CD2-CB 4.36Å; L45-R100 HydrophobicContact CD2-CG 3.84Å; L45-R100 HydrophobicContact CG-CG 3.68Å; L45-R100 PolarHBondContact O-NE 3.49Å; L45-R100 PolarHBondContact O-NH2 3.43Å; L45-N103 HydrophobicContact CD2-CB 3.96Å
46W71.4Confident62.8Low61 Ų6177.5 Ų77.523%0.23138%0.379CS..SBendtrans-118.4-8.5-173.7-61.1100.1000114.3L76 W78 R100 L104W46-L76 PolarHBondContact O-N 3.43Å; W46-W78 HydrophobicContact CH2-CZ2 4.26Å; W46-W78 AromaticContact CH2-NE1 3.62Å; W46-W78 AromaticContact CZ3-NE1 3.89Å; W46-R100 HydrophobicContact CZ2-CB 4.44Å; W46-L104 HydrophobicContact CH2-CD1 4.19Å; W46-L104 HydrophobicContact CZ2-CD1 4.18Å; W46-L104 HydrophobicContact CZ2-CD2 4.18Å; W46-L104 HydrophobicContact CZ2-CG 4.14Å
47K72.8Confident62.1Low107 Ų10773.5 Ų73.547%0.46539%0.386SS..EExtended strand (participates in β ladder)trans-143.4140.2-179.3-65.4-175.4179-179.60109P28 G44 E74P28-K47 HydrophobicContact CB-CB 4.39Å; G44-K47 CarbonylContact C-O 3.57Å; G44-K47 WeakPolarHBondContact CA-O 3.36Å; G44-K47 PolarHBondContact N-O 3.3Å; K47-E74 CarbonylContact C-O 3.34Å; K47-E74 VanDerWaalsContact CA-O 3.32Å; K47-E74 WeakPolarHBondContact CA-O 3.35Å
48M72.3Confident60.9Low4 Ų471.1 Ų71.12%0.0239%0.39CS..EExtended strand (participates in β ladder)trans-108.8144.3160.860.6174.7-176.100108.8S42 C73 E74 L76S42-M48 WeakPolarHBondContact O-CA 3.27Å; M48-C73 CarbonylContact O-C 3.23Å; M48-C73 WeakPolarHBondContact O-CA 3.22Å; M48-E74 HydrophobicContact CE-CB 3.56Å; M48-E74 HydrophobicContact CE-CG 3.93Å; M48-E74 WeakPolarHBondContact CE-OE2 3.38Å; M48-E74 HydrophobicContact CG-CB 3.86Å; M48-E74 PolarHBondContact N-O 3.25Å; M48-E74 PolarHBondContact O-N 2.88Å; M48-L76 HydrophobicContact CB-CD1 3.93Å; M48-L76 HydrophobicContact CB-CG 4.28Å; M48-L76 HydrophobicContact CG-CD1 4.3Å; M48-L76 HydrophobicContact CG-CD2 4.07Å; M48-L76 HydrophobicContact CG-CG 4.13Å; M48-L76 HydrophobicContact SD-CD2 4.1Å
49C74.2Confident60.1Low4 Ų474.5 Ų74.53%0.02741%0.413CS..EExtended strand (participates in β ladder)trans-125.9135.4174.4-59.80000109.6P28 R41 S42 C73P28-C49 HydrophobicContact CB-CB 4.45Å; R41-C49 WeakPolarHBondContact CA-O 3.4Å; S42-C49 PolarHBondContact N-O 3.49Å; S42-C49 PolarHBondContact O-N 2.87Å; S42-C49 PolarHBondContact OG-O 3.02Å; C49-C73 HydrophobicContact CB-CB 4.13Å; C49-C73 WeakPolarHBondContact CB-SG 3.22Å; C49-C73 WeakPolarHBondContact SG-CB 3.24Å; C49-C73 CovalentContact SG-SG 2.04Å; C49-C73 PolarHBondContact SG-SG 3.13Å
50W70.6Confident58.8Low58 Ų5871 Ų7122%0.2242%0.423CS..EExtended strand (participates in β ladder)trans-77.9130.5171.2-65.498.8000109.2L35 R41 A52 E72 E74L35-W50 HydrophobicContact CD2-CH2 4.41Å; L35-W50 HydrophobicContact CD2-CZ3 4.33Å; R41-W50 HydrophobicContact CB-CD2 4.4Å; R41-W50 HydrophobicContact CB-CE3 3.92Å; R41-W50 HydrophobicContact CB-CZ3 4.16Å; W50-A52 PolarHBondContact O-N 3.05Å; W50-E72 PolarHBondContact N-O 3.27Å; W50-E74 PolarHBondContact NE1-OE1 3.15Å
51L66.9Low57.5Low66 Ų6672.7 Ų72.735%0.34644%0.443SS..EExtended strand (participates in β ladder)trans-88.2100.5172.4-160.876.3000106.6K40 E53K40-L51 HydrophobicContact CB-CB 4.04Å; K40-L51 HydrophobicContact CB-CD2 4.1Å; K40-L51 HydrophobicContact CD-CD2 4.35Å; K40-L51 VanDerWaalsContact O-CB 3.31Å; K40-L51 WeakPolarHBondContact O-CB 3.45Å; K40-L51 PolarHBondContact O-N 3.35Å; L51-E53 PolarHBondContact O-N 3.35Å
52A56.6Low55.8Low67 Ų6775.4 Ų75.455%0.55448%0.477SS*.  trans-57.3130.2174.100000109.2W50 K54W50-A52 PolarHBondContact O-N 3.05Å; A52-K54 PolarHBondContact O-N 3.12Å
53E50.7Low54.4Low155 Ų15580.1 Ų80.172%0.72452%0.516SS*.  trans-68.4102.6179.4-150.7-175.1-161.700108.2L51 G55L51-E53 PolarHBondContact O-N 3.35Å; E53-G55 PolarHBondContact O-N 3.39Å
54K50.4Low52.8Low185 Ų18592 Ų9280%0.80456%0.561SS**SBendtrans-69.881173.3-169.5173.2-173.7164.50108.8A52A52-K54 PolarHBondContact O-N 3.12Å
55G45.3Very low51Low57 Ų57101.8 Ų101.859%0.58861%0.606SS**  trans146.573.4168.400000116.5E53E53-G55 PolarHBondContact O-N 3.39Å
56R40.3Very low49.5Very low234 Ų234105.1 Ų105.188%0.88364%0.64SS**  trans-152.997.8138.5-112.2169.4-177.1-176.71109.3G58R56-G58 PolarHBondContact O-N 3.25Å; R56-G58 VanDerWaalsContact O-N 3.11Å
57G43.4Very low47.5Very low95 Ų95109.2 Ų109.298%0.97966%0.662SS**  trans-57.2113.3170.300000109.8
58G33.8Very low45.7Very low69 Ų69107.5 Ų107.571%0.71168%0.675SS**  trans-130.2112.7166.700000107.3R56 G60R56-G58 PolarHBondContact O-N 3.25Å; R56-G58 VanDerWaalsContact O-N 3.11Å; G58-G60 PolarHBondContact O-N 3.5Å
59A43.3Very low44.2Very low116 Ų116114.4 Ų114.496%0.95971%0.707SS**  trans-54131.6-17900000112.2
60G31.6Very low42.7Very low73 Ų73120.4 Ų120.475%0.75373%0.734SS**  trans-160.491.7172.700000109.8G58G58-G60 PolarHBondContact O-N 3.5Å
61T41.8Very low42.1Very low152 Ų152125 Ų12593%0.93375%0.752SS**  trans-56.8130176.946.10000112.7
62G32.3Very low42.1Very low76 Ų76128.7 Ų128.778%0.78477%0.767SS**  trans167.7104.7166.200000113.7
63A40.4Very low42.8Very low103 Ų103128.5 Ų128.585%0.85176%0.761SS**  trans-54132-177.200000114.8
64R34.1Very low43.9Very low250 Ų250125.5 Ų125.594%0.94375%0.747SS**  trans-162.4132.2134.3-106.9168.1-169.8-170.82.9110.9
65H31.7Very low44.8Very low205 Ų205120.9 Ų120.995%0.94974%0.743SS**  trans-55.1132.9177.2-113.9-8.7000112.5
66G34.7Very low46Very low70 Ų70118.4 Ų118.472%0.72272%0.716SS**  trans81.582.8141.100000119.1
67Q30.5Very low47.3Very low147 Ų147109 Ų10969%0.68769%0.693SS**  trans-166.9123.1139.8-117.4169.7-56.300108.4E69 E70Q67-E69 PolarHBondContact O-N 3.13Å; Q67-E70 PolarHBondContact NE2-OE1 2.99Å
68G34.1Very low48.2Very low71 Ų71110.8 Ų110.873%0.73267%0.67SS**  trans-64.7132.4-179.700000111.1E70G68-E70 VanDerWaalsContact C-N 3.33Å; G68-E70 PolarHBondContact O-N 3.24Å
69E41.8Very low49.2Very low150 Ų150108.9 Ų108.970%0.70165%0.65SS**  trans22.366.7159.7-145.2178.614800113.7Q67 R71Q67-E69 PolarHBondContact O-N 3.13Å; E69-R71 PolarHBondContact O-N 3.41Å
70E43.5Very low49.9Very low129 Ų129104.6 Ų104.660%0.60361%0.613SS**  trans-66.5101.1-177.7-111.1174.7152.700108.6Q67 G68 E72Q67-E70 PolarHBondContact NE2-OE1 2.99Å; G68-E70 VanDerWaalsContact C-N 3.33Å; G68-E70 PolarHBondContact O-N 3.24Å; E70-E72 VanDerWaalsContact C-N 3.34Å; E70-E72 PolarHBondContact O-N 3.3Å
71R57.4Low51Low155 Ų155109.6 Ų109.659%0.58562%0.617SS**  trans-58.7103.5158.3-77.9178175.1169.2-2106.4E69 C73E69-R71 PolarHBondContact O-N 3.41Å; R71-C73 PolarHBondContact O-N 2.86Å; R71-C73 PolarHBondContact O-SG 3.4Å; R71-C73 VanDerWaalsContact O-SG 3.41Å
72E66.3Low51.5Low144 Ų144104.2 Ų104.267%0.67359%0.586SS**  trans-60.4103.2170.3-73.1-178.7165.200107.7W50 E70W50-E72 PolarHBondContact N-O 3.27Å; E70-E72 VanDerWaalsContact C-N 3.34Å; E70-E72 PolarHBondContact O-N 3.3Å
73C71.6Confident52.4Low62 Ų62101.1 Ų101.142%0.41955%0.552SS.*EExtended strand (participates in β ladder)trans-109114.2-179.6-670000109.2M48 C49 R71M48-C73 CarbonylContact O-C 3.23Å; M48-C73 WeakPolarHBondContact O-CA 3.22Å; C49-C73 HydrophobicContact CB-CB 4.13Å; C49-C73 WeakPolarHBondContact CB-SG 3.22Å; C49-C73 WeakPolarHBondContact SG-CB 3.24Å; C49-C73 CovalentContact SG-SG 2.04Å; C49-C73 PolarHBondContact SG-SG 3.13Å; R71-C73 PolarHBondContact O-N 2.86Å; R71-C73 PolarHBondContact O-SG 3.4Å; R71-C73 VanDerWaalsContact O-SG 3.41Å
74E73.9Confident52.7Low93 Ų9397.6 Ų97.644%0.43553%0.527SS..EExtended strand (participates in β ladder)trans-90.5137.1175.8-70177-134.200110.4K47 M48 W50K47-E74 CarbonylContact C-O 3.34Å; K47-E74 VanDerWaalsContact CA-O 3.32Å; K47-E74 WeakPolarHBondContact CA-O 3.35Å; M48-E74 HydrophobicContact CE-CB 3.56Å; M48-E74 HydrophobicContact CE-CG 3.93Å; M48-E74 WeakPolarHBondContact CE-OE2 3.38Å; M48-E74 HydrophobicContact CG-CB 3.86Å; M48-E74 PolarHBondContact N-O 3.25Å; M48-E74 PolarHBondContact O-N 2.88Å; W50-E74 PolarHBondContact NE1-OE1 3.15Å
75A69.6Low53.4Low87 Ų8790.6 Ų90.672%0.71950%0.503SS*.EExtended strand (participates in β ladder)trans-75129.5174.100000110
76L70.1Confident54Low5 Ų587.7 Ų87.73%0.02649%0.49CS..PPolyproline II helixtrans-102121.1176.5-64170.5000109.3V43 W46 M48 S82 R100V43-L76 HydrophobicContact CG1-CD1 4.08Å; W46-L76 PolarHBondContact O-N 3.43Å; M48-L76 HydrophobicContact CB-CD1 3.93Å; M48-L76 HydrophobicContact CB-CG 4.28Å; M48-L76 HydrophobicContact CG-CD1 4.3Å; M48-L76 HydrophobicContact CG-CD2 4.07Å; M48-L76 HydrophobicContact CG-CG 4.13Å; M48-L76 HydrophobicContact SD-CD2 4.1Å; L76-S82 VanDerWaalsContact CD2-OG 3.25Å; L76-S82 WeakPolarHBondContact CD2-OG 3.45Å; L76-R100 VanDerWaalsContact CB-NH2 3.27Å
77G66.6Low54.4Low37 Ų3793.1 Ų93.138%0.38150%0.497SS..PPolyproline II helixtrans-99.2173174.800000113G79 S80 R100G77-G79 PolarHBondContact O-N 3.07Å; G77-S80 VanDerWaalsContact O-CB 3.32Å; G77-S80 WeakPolarHBondContact O-CB 3.5Å; G77-S80 PolarHBondContact O-N 3.36Å; G77-S80 VanDerWaalsContact O-N 3.1Å; G77-S80 PolarHBondContact O-OG 3.25Å; G77-S80 VanDerWaalsContact O-OG 3.1Å; G77-R100 PolarHBondContact O-NH1 2.9Å
78W63.8Low55.1Low132 Ų13288.8 Ų88.850%0.548%0.483SS..THydrogen-bonded Turntrans-52.8127.2168.5-69.698.8000110.3W46 S80 D97 R100 A101 L104W46-W78 HydrophobicContact CH2-CZ2 4.26Å; W46-W78 AromaticContact CH2-NE1 3.62Å; W46-W78 AromaticContact CZ3-NE1 3.89Å; W78-S80 VanDerWaalsContact C-N 3.32Å; W78-S80 PolarHBondContact O-N 2.82Å; W78-D97 HydrophobicContact CE3-CB 3.94Å; W78-D97 WeakPolarHBondContact CH2-O 3.48Å; W78-D97 HydrophobicContact CZ3-CB 3.73Å; W78-D97 WeakPolarHBondContact CZ3-O 3.46Å; W78-R100 HydrophobicContact CH2-CB 3.57Å; W78-R100 HydrophobicContact CZ2-CB 3.85Å; W78-R100 HydrophobicContact CZ3-CB 4.09Å; W78-A101 HydrophobicContact CH2-CB 3.91Å; W78-L104 HydrophobicContact CZ2-CD1 3.83Å
79G54.8Low55.9Low29 Ų2995.6 Ų95.630%0.29949%0.486SS..THydrogen-bonded Turntrans77.55.9-179.900000116.5G77 E81 K93G77-G79 PolarHBondContact O-N 3.07Å; G79-E81 PolarHBondContact O-N 3.43Å; G79-K93 VanDerWaalsContact CA-CE 3.41Å; G79-K93 VanDerWaalsContact O-CE 3.3Å; G79-K93 WeakPolarHBondContact O-CE 3.31Å; G79-K93 PolarHBondContact O-NZ 3.49Å
80S57.2Low56.3Low26 Ų2692.6 Ų92.618%0.18248%0.481CS..  trans-59.3126.9177.762.90000112.1G77 W78 S82G77-S80 VanDerWaalsContact O-CB 3.32Å; G77-S80 WeakPolarHBondContact O-CB 3.5Å; G77-S80 PolarHBondContact O-N 3.36Å; G77-S80 VanDerWaalsContact O-N 3.1Å; G77-S80 PolarHBondContact O-OG 3.25Å; G77-S80 VanDerWaalsContact O-OG 3.1Å; W78-S80 VanDerWaalsContact C-N 3.32Å; W78-S80 PolarHBondContact O-N 2.82Å; S80-S82 PolarHBondContact O-N 3.02Å
81E54.7Low56.9Low178 Ų17889.9 Ų89.983%0.83247%0.474SS*.G310 helixtrans-69-15.8-179.4-58.3-160.313900113.6G79 A83G79-E81 PolarHBondContact O-N 3.43Å; E81-A83 VanDerWaalsContact C-N 3.34Å; E81-A83 PolarHBondContact O-N 3.27Å
82S52.5Low57Low40 Ų4084.4 Ų84.428%0.2846%0.457SS..G310 helixtrans-80.3-5.4-175.628.40000115L76 S80 G84L76-S82 VanDerWaalsContact CD2-OG 3.25Å; L76-S82 WeakPolarHBondContact CD2-OG 3.45Å; S80-S82 PolarHBondContact O-N 3.02Å; S82-G84 VanDerWaalsContact C-N 3.34Å; S82-G84 PolarHBondContact O-N 2.87Å
83A51.9Low56.8Low10 Ų1081.7 Ų81.78%0.08344%0.443CS..G310 helixtrans-77.1-5.1-173.600000115.7E81E81-A83 VanDerWaalsContact C-N 3.34Å; E81-A83 PolarHBondContact O-N 3.27Å
84G47.1Very low56.6Low30 Ų3084.5 Ų84.531%0.30945%0.454SS..SBendtrans-168.9139.1177.300000113.5S82S82-G84 VanDerWaalsContact C-N 3.34Å; S82-G84 PolarHBondContact O-N 2.87Å
85F46.9Very low56.4Low102 Ų10282.1 Ų82.145%0.44744%0.443SS..  trans-63.9160.4176.5-137-103.6000111.7L35 E36 E87L35-F85 HydrophobicContact CD1-CD2 3.63Å; L35-F85 HydrophobicContact CD1-CE2 3.27Å; L35-F85 HydrophobicContact CD1-CZ 4.23Å; L35-F85 HydrophobicContact CD2-CE2 4.17Å; L35-F85 HydrophobicContact CG-CD2 4.31Å; L35-F85 HydrophobicContact CG-CE2 3.47Å; L35-F85 VanDerWaalsContact CG-CE2 3.47Å; L35-F85 HydrophobicContact CG-CZ 3.99Å; E36-F85 HydrophobicContact CG-CE1 4.46Å; F85-E87 VanDerWaalsContact C-N 3.29Å; F85-E87 PolarHBondContact O-N 3.29Å
86Q45.2Very low56.5Low144 Ų14478.4 Ų78.467%0.67341%0.41SS*.THydrogen-bonded Turntrans-49.37.8-163.2-105.2-137.6-78.300122.1
87E43.4Very low56.7Low185 Ų18579.6 Ų79.686%0.86442%0.417SS*.THydrogen-bonded Turntrans-98.6-7-162.3-97.8168.1142.500118.1F85F85-E87 VanDerWaalsContact C-N 3.29Å; F85-E87 PolarHBondContact O-N 3.29Å
88S45.1Very low57.2Low56 Ų5681.6 Ų81.639%0.39242%0.417SS..  trans-166.898.8158.6-166.90000111S90S88-S90 PolarHBondContact O-N 3.01Å
89R51.1Low57.9Low214 Ų21475.4 Ų75.481%0.80839%0.394SS*.THydrogen-bonded Turntrans-59.4-14.1-167.3-80.4-178.5173.3162.6-1.6116.4
90S49.3Very low59.1Low86 Ų8674.1 Ų74.160%0.60138%0.38SS*.THydrogen-bonded Turntrans-112.8-37.4-173.160.30000114.8S88S88-S90 PolarHBondContact O-N 3.01Å
91T56.5Low60.4Low73 Ų7374.4 Ų74.445%0.44838%0.384SS..Hα-helixtrans-81.7-41.6-173.253.40000112.5K93 L94 Q95T91-K93 PolarHBondContact O-N 3.34Å; T91-L94 PolarHBondContact O-N 3.49Å; T91-Q95 VanDerWaalsContact O-CG 3.27Å; T91-Q95 WeakPolarHBondContact O-CG 3.48Å; T91-Q95 PolarHBondContact O-N 2.84Å; T91-Q95 VanDerWaalsContact O-N 3.16Å; T91-Q95 PolarHBondContact O-OE1 2.97Å
92V59.3Low61.9Low39 Ų3966.4 Ų66.424%0.23635%0.347CS..Hα-helixtrans-69.2-35.8-177.6-179.20000111.7Q95 F96 I159V92-Q95 PolarHBondContact O-N 3.43Å; V92-F96 HydrophobicContact CG1-CD2 4.09Å; V92-F96 HydrophobicContact CG1-CE2 4.2Å; V92-F96 PolarHBondContact O-N 2.96Å; V92-F96 VanDerWaalsContact O-N 3.15Å; V92-I159 HydrophobicContact CG1-CG2 3.9Å; V92-I159 HydrophobicContact CG2-CG2 4.39Å
93K62.7Low63.5Low87 Ų8764.6 Ų64.638%0.37834%0.335SS..Hα-helixtrans-62.3-48.1175.5-173.6173-173163.10111.5G79 T91 Q95 F96 D97G79-K93 VanDerWaalsContact CA-CE 3.41Å; G79-K93 VanDerWaalsContact O-CE 3.3Å; G79-K93 WeakPolarHBondContact O-CE 3.31Å; G79-K93 PolarHBondContact O-NZ 3.49Å; T91-K93 PolarHBondContact O-N 3.34Å; K93-Q95 VanDerWaalsContact C-N 3.27Å; K93-Q95 PolarHBondContact O-N 3.43Å; K93-F96 PolarHBondContact O-N 3.26Å; K93-D97 PolarHBondContact O-N 3.44Å
94L67Low65.2Low121 Ų12167.7 Ų67.763%0.63435%0.349SS*.Hα-helixtrans-61-37.7178.7-173.767.6000111.6T91 M98T91-L94 PolarHBondContact O-N 3.49Å; L94-M98 WeakPolarHBondContact O-CB 3.43Å; L94-M98 PolarHBondContact O-N 3.35Å
95Q70.1Confident67.2Low44 Ų4470.2 Ų70.221%0.20636%0.355CS..Hα-helixtrans-74-35.9-178.1-65.8171.8-58.600112.9T91 V92 K93 M99 I159T91-Q95 VanDerWaalsContact O-CG 3.27Å; T91-Q95 WeakPolarHBondContact O-CG 3.48Å; T91-Q95 PolarHBondContact O-N 2.84Å; T91-Q95 VanDerWaalsContact O-N 3.16Å; T91-Q95 PolarHBondContact O-OE1 2.97Å; V92-Q95 PolarHBondContact O-N 3.43Å; K93-Q95 VanDerWaalsContact C-N 3.27Å; K93-Q95 PolarHBondContact O-N 3.43Å; Q95-M99 WeakPolarHBondContact O-CB 3.29Å; Q95-M99 PolarHBondContact O-N 2.95Å; Q95-I159 HydrophobicContact CB-CD1 3.3Å; Q95-I159 HydrophobicContact CB-CG1 3.74Å; Q95-I159 HydrophobicContact CG-CD1 4.31Å; Q95-I159 HydrophobicContact CG-CG1 4.23Å
96F71.1Confident69.2Low8 Ų865.4 Ų65.44%0.03533%0.334CS..Hα-helixtrans-68.1-42.1171.8-93.1-81.5000112.5V31 V92 K93 M98 M99 R100 F156 I159V31-F96 HydrophobicContact CG2-CZ 4.42Å; V92-F96 HydrophobicContact CG1-CD2 4.09Å; V92-F96 HydrophobicContact CG1-CE2 4.2Å; V92-F96 PolarHBondContact O-N 2.96Å; V92-F96 VanDerWaalsContact O-N 3.15Å; K93-F96 PolarHBondContact O-N 3.26Å; F96-M98 VanDerWaalsContact C-N 3.33Å; F96-M99 PolarHBondContact O-N 3.28Å; F96-R100 WeakPolarHBondContact O-CG 3.49Å; F96-R100 PolarHBondContact O-N 3.04Å; F96-F156 HydrophobicContact CE1-CE2 4.01Å; F96-F156 AromaticContact CZ-CE2 3.98Å; F96-F156 HydrophobicContact CZ-CE2 3.98Å; F96-I159 HydrophobicContact CD2-CD1 4.44Å
97D75.1Confident71.3Confident31 Ų3159.6 Ų59.617%0.16631%0.308CS..Hα-helixtrans-65.6-38.6175.4-78.7-21.5000110.9W78 K93 M99 R100 A101W78-D97 HydrophobicContact CE3-CB 3.94Å; W78-D97 WeakPolarHBondContact CH2-O 3.48Å; W78-D97 HydrophobicContact CZ3-CB 3.73Å; W78-D97 WeakPolarHBondContact CZ3-O 3.46Å; K93-D97 PolarHBondContact O-N 3.44Å; D97-M99 VanDerWaalsContact C-N 3.35Å; D97-M99 PolarHBondContact O-N 2.9Å; D97-R100 PolarHBondContact O-N 3.41Å; D97-R100 IonicContact OD1-NH1 3.41Å; D97-R100 PolarHBondContact OD1-NH1 3.45Å; D97-R100 VanDerWaalsContact OD1-NH1 3.1Å; D97-A101 WeakPolarHBondContact O-CB 3.36Å; D97-A101 PolarHBondContact O-N 3Å
98M77.3Confident73.6Confident79 Ų7955.4 Ų55.439%0.38930%0.295SS..Hα-helixtrans-63-39.4172.8-171.7166179.100112L94 F96 A101 C102 I151 T155L94-M98 WeakPolarHBondContact O-CB 3.43Å; L94-M98 PolarHBondContact O-N 3.35Å; F96-M98 VanDerWaalsContact C-N 3.33Å; M98-A101 PolarHBondContact O-N 3.42Å; M98-C102 WeakPolarHBondContact O-CB 3.42Å; M98-C102 PolarHBondContact O-N 2.91Å; M98-C102 PolarHBondContact O-SG 2.88Å; M98-I151 HydrophobicContact CE-CG2 3.69Å; M98-T155 HydrophobicContact CE-CG2 3.82Å; M98-T155 HydrophobicContact SD-CG2 3.8Å
99M76.9Confident75.8Confident2 Ų253.1 Ų53.11%0.0128%0.279CS..Hα-helixtrans-66-41175.8-175.653.7177.500112.3W30 L45 Q95 F96 D97 A101 C102 N103 G152 N172W30-M99 HydrophobicContact CE3-CE 4.5Å; W30-M99 HydrophobicContact CH2-CE 3.3Å; W30-M99 HydrophobicContact CZ2-CE 4.44Å; W30-M99 HydrophobicContact CZ3-CE 3.35Å; L45-M99 HydrophobicContact CD1-CG 3.85Å; Q95-M99 WeakPolarHBondContact O-CB 3.29Å; Q95-M99 PolarHBondContact O-N 2.95Å; F96-M99 PolarHBondContact O-N 3.28Å; D97-M99 VanDerWaalsContact C-N 3.35Å; D97-M99 PolarHBondContact O-N 2.9Å; M99-A101 VanDerWaalsContact C-N 3.33Å; M99-C102 PolarHBondContact O-N 3.23Å; M99-N103 WeakPolarHBondContact O-CB 3.24Å; M99-N103 PolarHBondContact O-N 3.4Å; M99-G152 WeakPolarHBondContact SD-CA 3.26Å; M99-N172 WeakPolarHBondContact CE-ND2 3.25Å
100R80.5Confident77.6Confident2 Ų242.9 Ų42.91%0.00824%0.241CC..Hα-helixtrans-60.2-43.9172.1-71.2169.7177.7171.1-9111.8L45 W46 L76 G77 W78 F96 D97 C102 N103 L104L45-R100 HydrophobicContact CD2-CB 4.36Å; L45-R100 HydrophobicContact CD2-CG 3.84Å; L45-R100 HydrophobicContact CG-CG 3.68Å; L45-R100 PolarHBondContact O-NE 3.49Å; L45-R100 PolarHBondContact O-NH2 3.43Å; W46-R100 HydrophobicContact CZ2-CB 4.44Å; L76-R100 VanDerWaalsContact CB-NH2 3.27Å; G77-R100 PolarHBondContact O-NH1 2.9Å; W78-R100 HydrophobicContact CH2-CB 3.57Å; W78-R100 HydrophobicContact CZ2-CB 3.85Å; W78-R100 HydrophobicContact CZ3-CB 4.09Å; F96-R100 WeakPolarHBondContact O-CG 3.49Å; F96-R100 PolarHBondContact O-N 3.04Å; D97-R100 PolarHBondContact O-N 3.41Å; D97-R100 IonicContact OD1-NH1 3.41Å; D97-R100 PolarHBondContact OD1-NH1 3.45Å; D97-R100 VanDerWaalsContact OD1-NH1 3.1Å; R100-C102 VanDerWaalsContact C-N 3.35Å; R100-N103 PolarHBondContact O-N 3.41Å; R100-L104 WeakPolarHBondContact O-CG 3.41Å; R100-L104 PolarHBondContact O-N 3.36Å
101A84.3Confident79.6Confident32 Ų3241.8 Ų41.826%0.26423%0.231SC..Hα-helixtrans-62-46178.400000110.4W78 D97 M98 M99 N103 L104 I105W78-A101 HydrophobicContact CH2-CB 3.91Å; D97-A101 WeakPolarHBondContact O-CB 3.36Å; D97-A101 PolarHBondContact O-N 3Å; M98-A101 PolarHBondContact O-N 3.42Å; M99-A101 VanDerWaalsContact C-N 3.33Å; A101-N103 PolarHBondContact O-N 2.95Å; A101-L104 PolarHBondContact O-N 3.5Å; A101-I105 WeakPolarHBondContact O-CB 3.29Å; A101-I105 WeakPolarHBondContact O-CD1 3.13Å; A101-I105 VanDerWaalsContact O-CG1 3.23Å; A101-I105 WeakPolarHBondContact O-CG1 3.37Å; A101-I105 PolarHBondContact O-N 3.47Å
102C86.3Confident81.2Confident9 Ų940 Ų406%0.06122%0.224CC..Hα-helixtrans-60.4-45.1177-66.80000111.7M98 M99 R100 L104 I105 A106 V148M98-C102 WeakPolarHBondContact O-CB 3.42Å; M98-C102 PolarHBondContact O-N 2.91Å; M98-C102 PolarHBondContact O-SG 2.88Å; M99-C102 PolarHBondContact O-N 3.23Å; R100-C102 VanDerWaalsContact C-N 3.35Å; C102-L104 PolarHBondContact O-N 3.24Å; C102-I105 PolarHBondContact O-N 3.46Å; C102-A106 WeakPolarHBondContact O-CB 3.25Å; C102-A106 PolarHBondContact O-N 3.43Å; C102-V148 VanDerWaalsContact CA-CG1 3.42Å; C102-V148 HydrophobicContact CB-CG1 3.67Å; C102-V148 WeakPolarHBondContact CB-O 3.24Å; C102-V148 VanDerWaalsContact O-CG1 3.26Å; C102-V148 WeakPolarHBondContact O-CG1 3.41Å
103N86.5Confident82.5Confident3 Ų338.2 Ų38.22%0.01621%0.212CC..Hα-helixtrans-63.3-40.9179.2-170.9-69.2000112.4N21 A25 L45 M99 R100 A101 T107N21-N103 PolarHBondContact ND2-O 3.36Å; N21-N103 PolarHBondContact ND2-OD1 2.84Å; N21-N103 PolarHBondContact O-ND2 3.21Å; N21-N103 PolarHBondContact OD1-ND2 3.3Å; A25-N103 WeakPolarHBondContact CB-OD1 3.21Å; L45-N103 HydrophobicContact CD2-CB 3.96Å; M99-N103 WeakPolarHBondContact O-CB 3.24Å; M99-N103 PolarHBondContact O-N 3.4Å; R100-N103 PolarHBondContact O-N 3.41Å; A101-N103 PolarHBondContact O-N 2.95Å; N103-T107 WeakPolarHBondContact O-CB 3.34Å; N103-T107 PolarHBondContact O-N 2.89Å; N103-T107 PolarHBondContact O-OG1 2.86Å
104L87Confident83.8Confident74 Ų7435.2 Ų35.239%0.38720%0.2SC..Hα-helixtrans-66-48.9175.2-74.5179.4000112W46 W78 R100 A101 C102 A106 T107 V108W46-L104 HydrophobicContact CH2-CD1 4.19Å; W46-L104 HydrophobicContact CZ2-CD1 4.18Å; W46-L104 HydrophobicContact CZ2-CD2 4.18Å; W46-L104 HydrophobicContact CZ2-CG 4.14Å; W78-L104 HydrophobicContact CZ2-CD1 3.83Å; R100-L104 WeakPolarHBondContact O-CG 3.41Å; R100-L104 PolarHBondContact O-N 3.36Å; A101-L104 PolarHBondContact O-N 3.5Å; C102-L104 PolarHBondContact O-N 3.24Å; L104-A106 VanDerWaalsContact C-N 3.29Å; L104-A106 PolarHBondContact O-N 3.19Å; L104-T107 WeakPolarHBondContact O-CB 3.41Å; L104-T107 PolarHBondContact O-N 3Å; L104-T107 VanDerWaalsContact O-N 3.11Å; L104-V108 WeakPolarHBondContact O-CG2 3.31Å; L104-V108 PolarHBondContact O-N 2.9Å
105I89.4Confident84.8Confident84 Ų8434.8 Ų34.843%0.43120%0.197SC..Hα-helixtrans-60.5-42.9179-68165000110A101 C102 T107 V108 A109 L144 V148A101-I105 WeakPolarHBondContact O-CB 3.29Å; A101-I105 WeakPolarHBondContact O-CD1 3.13Å; A101-I105 VanDerWaalsContact O-CG1 3.23Å; A101-I105 WeakPolarHBondContact O-CG1 3.37Å; A101-I105 PolarHBondContact O-N 3.47Å; C102-I105 PolarHBondContact O-N 3.46Å; I105-T107 VanDerWaalsContact C-N 3.33Å; I105-T107 PolarHBondContact O-N 3.48Å; I105-V108 PolarHBondContact O-N 2.85Å; I105-A109 WeakPolarHBondContact O-CB 3.38Å; I105-A109 PolarHBondContact O-N 3.47Å; I105-L144 HydrophobicContact CG2-CD2 4.21Å; I105-V148 HydrophobicContact CB-CG1 3.98Å; I105-V148 HydrophobicContact CG2-CB 4.4Å; I105-V148 HydrophobicContact CG2-CG1 3.94Å; I105-V148 HydrophobicContact CG2-CG2 3.92Å
106A88.6Confident85.5Confident0 Ų034.1 Ų34.10%020%0.195CC..Hα-helixtrans-62.1-39.7175.500000112.2C102 L104 A109 L110 L149C102-A106 WeakPolarHBondContact O-CB 3.25Å; C102-A106 PolarHBondContact O-N 3.43Å; L104-A106 VanDerWaalsContact C-N 3.29Å; L104-A106 PolarHBondContact O-N 3.19Å; A106-A109 PolarHBondContact O-N 2.86Å; A106-L110 WeakPolarHBondContact O-CB 3.23Å; A106-L110 VanDerWaalsContact O-CG 3.31Å; A106-L110 WeakPolarHBondContact O-CG 3.47Å; A106-L110 PolarHBondContact O-N 3.46Å; A106-L149 HydrophobicContact CB-CD1 4.24Å; A106-L149 HydrophobicContact CB-CD2 3.43Å; A106-L149 VanDerWaalsContact CB-CD2 3.43Å; A106-L149 HydrophobicContact CB-CG 3.56Å
107T89.3Confident86.1Confident23 Ų2335.7 Ų35.714%0.14120%0.202CC..Hα-helixtrans-63.3-47.5174.5-59.40000111.1L18 N21 N103 L104 I105 A109 L110 T111L18-T107 HydrophobicContact CD1-CG2 4.04Å; N21-T107 PolarHBondContact ND2-OG1 3.19Å; N103-T107 WeakPolarHBondContact O-CB 3.34Å; N103-T107 PolarHBondContact O-N 2.89Å; N103-T107 PolarHBondContact O-OG1 2.86Å; L104-T107 WeakPolarHBondContact O-CB 3.41Å; L104-T107 PolarHBondContact O-N 3Å; L104-T107 VanDerWaalsContact O-N 3.11Å; I105-T107 VanDerWaalsContact C-N 3.33Å; I105-T107 PolarHBondContact O-N 3.48Å; T107-A109 VanDerWaalsContact C-N 3.35Å; T107-A109 PolarHBondContact O-N 3.44Å; T107-L110 PolarHBondContact O-N 2.9Å; T107-T111 HydrophobicContact CG2-CG2 4.31Å; T107-T111 WeakPolarHBondContact O-CB 3.46Å; T107-T111 VanDerWaalsContact O-CG2 3.25Å; T107-T111 WeakPolarHBondContact O-CG2 3.27Å; T107-T111 PolarHBondContact O-N 2.65Å; T107-T111 PolarHBondContact O-OG1 2.82Å
108V92.1Very high86.6Confident96 Ų9637.8 Ų37.858%0.58222%0.216SC*.Hα-helixtrans-60-46.4177172.40000110.6L104 I105 T111 A112L104-V108 WeakPolarHBondContact O-CG2 3.31Å; L104-V108 PolarHBondContact O-N 2.9Å; I105-V108 PolarHBondContact O-N 2.85Å; V108-T111 WeakPolarHBondContact CA-OG1 3.49Å; V108-T111 PolarHBondContact O-N 2.9Å; V108-T111 PolarHBondContact O-OG1 3.14Å; V108-A112 VanDerWaalsContact O-CB 3.24Å; V108-A112 WeakPolarHBondContact O-CB 3.45Å; V108-A112 PolarHBondContact O-N 3.43Å
109A90.8Very high86.7Confident8 Ų837.2 Ų37.27%0.06621%0.214CC..Hα-helixtrans-61.2-52.9177.700000111.4I105 A106 T107 T111 A112 G113 V141 L144 A145I105-A109 WeakPolarHBondContact O-CB 3.38Å; I105-A109 PolarHBondContact O-N 3.47Å; A106-A109 PolarHBondContact O-N 2.86Å; T107-A109 VanDerWaalsContact C-N 3.35Å; T107-A109 PolarHBondContact O-N 3.44Å; A109-T111 PolarHBondContact O-N 3.05Å; A109-A112 PolarHBondContact O-N 2.9Å; A109-G113 PolarHBondContact O-N 3.19Å; A109-V141 HydrophobicContact CB-CG1 3.97Å; A109-V141 WeakPolarHBondContact O-CG1 2.87Å; A109-L144 HydrophobicContact CB-CD2 3.71Å; A109-A145 HydrophobicContact CB-CB 3.77Å
110L89.8Confident86.5Confident0 Ų039.1 Ų39.10%023%0.234CC..Hα-helixtrans-58.7-46.3178.8-72.2169.4000111.6A14 L18 A106 T107 A112 G113 Q114 F142 A145A14-L110 HydrophobicContact CB-CD2 4.21Å; L18-L110 HydrophobicContact CB-CB 4.22Å; L18-L110 HydrophobicContact CB-CD1 4.14Å; L18-L110 HydrophobicContact CD1-CB 3.55Å; L18-L110 HydrophobicContact CD1-CD1 4.22Å; L18-L110 HydrophobicContact CG-CB 4.46Å; A106-L110 WeakPolarHBondContact O-CB 3.23Å; A106-L110 VanDerWaalsContact O-CG 3.31Å; A106-L110 WeakPolarHBondContact O-CG 3.47Å; A106-L110 PolarHBondContact O-N 3.46Å; T107-L110 PolarHBondContact O-N 2.9Å; L110-A112 PolarHBondContact O-N 3.08Å; L110-G113 PolarHBondContact O-N 2.9Å; L110-Q114 WeakPolarHBondContact O-CG 3.39Å; L110-Q114 PolarHBondContact O-N 3.47Å; L110-F142 HydrophobicContact CD2-CD1 4.06Å; L110-F142 HydrophobicContact CD2-CE1 4.39Å; L110-A145 HydrophobicContact CD2-CB 3.93Å; L110-A145 HydrophobicContact CG-CB 3.75Å
111T91.8Very high86.2Confident63 Ų6344.1 Ų44.139%0.38726%0.26SS..Hα-helixtrans-62.5-40.4177.155.70000112.8L18 T107 V108 A109 Q114 L115L18-T111 HydrophobicContact CD1-CG2 3.73Å; L18-T111 HydrophobicContact CD2-CG2 4.07Å; T107-T111 HydrophobicContact CG2-CG2 4.31Å; T107-T111 WeakPolarHBondContact O-CB 3.46Å; T107-T111 VanDerWaalsContact O-CG2 3.25Å; T107-T111 WeakPolarHBondContact O-CG2 3.27Å; T107-T111 PolarHBondContact O-N 2.65Å; T107-T111 PolarHBondContact O-OG1 2.82Å; V108-T111 WeakPolarHBondContact CA-OG1 3.49Å; V108-T111 PolarHBondContact O-N 2.9Å; V108-T111 PolarHBondContact O-OG1 3.14Å; A109-T111 PolarHBondContact O-N 3.05Å; T111-Q114 PolarHBondContact O-N 2.65Å; T111-L115 WeakPolarHBondContact O-CB 3.34Å; T111-L115 PolarHBondContact O-N 3.4Å
112A90Very high85.5Confident36 Ų3649.4 Ų49.430%0.29828%0.281SS..Hα-helixtrans-61.8-44.8175.700000111.2V108 A109 L110 Q114 L115 I116 V141V108-A112 VanDerWaalsContact O-CB 3.24Å; V108-A112 WeakPolarHBondContact O-CB 3.45Å; V108-A112 PolarHBondContact O-N 3.43Å; A109-A112 PolarHBondContact O-N 2.9Å; L110-A112 PolarHBondContact O-N 3.08Å; A112-Q114 VanDerWaalsContact C-N 3.34Å; A112-Q114 PolarHBondContact O-N 2.83Å; A112-L115 PolarHBondContact O-N 3.22Å; A112-I116 WeakPolarHBondContact O-CB 3.27Å; A112-I116 WeakPolarHBondContact O-CD1 3.43Å; A112-I116 WeakPolarHBondContact O-CG1 3.41Å; A112-I116 PolarHBondContact O-N 2.93Å; A112-V141 HydrophobicContact CB-CG1 4.29Å
113G86.5Confident84.3Confident0 Ų055 Ų550%031%0.306CS..Hα-helixtrans-62.9-37.9176.100000113.2A109 L110 F117A109-G113 PolarHBondContact O-N 3.19Å; L110-G113 PolarHBondContact O-N 2.9Å; G113-F117 PolarHBondContact O-N 3.38Å; G113-F117 VanDerWaalsContact O-N 3.13Å
114Q89.5Confident82.6Confident25 Ų2559.3 Ų59.312%0.11733%0.329CS..Hα-helixtrans-66.3-42.7173.6-62.2-67.7-42.700111.8V11 L110 T111 A112 F117 V118V11-Q114 PolarHBondContact O-NE2 3.01Å; L110-Q114 WeakPolarHBondContact O-CG 3.39Å; L110-Q114 PolarHBondContact O-N 3.47Å; T111-Q114 PolarHBondContact O-N 2.65Å; A112-Q114 VanDerWaalsContact C-N 3.34Å; A112-Q114 PolarHBondContact O-N 2.83Å; Q114-F117 WeakPolarHBondContact O-CB 3.41Å; Q114-F117 PolarHBondContact O-N 3.36Å; Q114-V118 WeakPolarHBondContact O-CG2 3.42Å; Q114-V118 PolarHBondContact O-N 2.95Å
115L88.4Confident80.8Confident111 Ų11161.9 Ų61.958%0.58135%0.35SS*.Hα-helixtrans-63.1-44.3177.9-167.694000110.9T111 A112 F117 V118 L119T111-L115 WeakPolarHBondContact O-CB 3.34Å; T111-L115 PolarHBondContact O-N 3.4Å; A112-L115 PolarHBondContact O-N 3.22Å; L115-F117 VanDerWaalsContact C-N 3.28Å; L115-F117 PolarHBondContact O-N 2.86Å; L115-V118 PolarHBondContact O-N 3.46Å; L115-L119 HydrophobicContact CD2-CD1 3.99Å; L115-L119 HydrophobicContact CG-CD1 4.19Å; L115-L119 WeakPolarHBondContact O-CB 3.08Å; L115-L119 VanDerWaalsContact O-CG 3.32Å; L115-L119 WeakPolarHBondContact O-CG 3.1Å; L115-L119 PolarHBondContact O-N 2.99Å
116I85.2Confident78.9Confident31 Ų3164.8 Ų64.816%0.15937%0.365CS..Hα-helixtrans-58.3-43.3176.4-69.2163.4000110.4A112 L119 G120 W134 I138A112-I116 WeakPolarHBondContact O-CB 3.27Å; A112-I116 WeakPolarHBondContact O-CD1 3.43Å; A112-I116 WeakPolarHBondContact O-CG1 3.41Å; A112-I116 PolarHBondContact O-N 2.93Å; I116-L119 PolarHBondContact O-N 2.83Å; I116-G120 PolarHBondContact O-N 2.65Å; I116-W134 HydrophobicContact CG2-CE3 3.55Å; I116-W134 HydrophobicContact CG2-CZ3 4.08Å; I116-I138 HydrophobicContact CB-CG1 3.97Å; I116-I138 HydrophobicContact CG2-CD1 3.93Å; I116-I138 HydrophobicContact CG2-CG1 3.48Å; I116-I138 VanDerWaalsContact CG2-CG1 3.48Å
117F84Confident76.8Confident41 Ų4169.3 Ų69.318%0.1839%0.388CS..Hα-helixtrans-61.3-44.9175.4176.9-104.7000112.7V7 A8 V11 G113 Q114 L115 G120 L121 I138V7-F117 HydrophobicContact CG1-CD2 4.03Å; V7-F117 HydrophobicContact CG1-CE2 3.84Å; A8-F117 HydrophobicContact CB-CZ 4.29Å; V11-F117 HydrophobicContact CB-CD1 4.29Å; V11-F117 HydrophobicContact CB-CE1 4.43Å; V11-F117 HydrophobicContact CB-CG 4.32Å; V11-F117 HydrophobicContact CG1-CB 4.27Å; V11-F117 HydrophobicContact CG1-CD1 3.63Å; V11-F117 HydrophobicContact CG1-CE1 4.02Å; V11-F117 HydrophobicContact CG1-CG 3.93Å; V11-F117 HydrophobicContact CG2-CB 4.04Å; V11-F117 HydrophobicContact CG2-CD1 4.17Å; V11-F117 HydrophobicContact CG2-CD2 3.68Å; V11-F117 HydrophobicContact CG2-CE2 4.12Å; V11-F117 HydrophobicContact CG2-CG 3.69Å; G113-F117 PolarHBondContact O-N 3.38Å; G113-F117 VanDerWaalsContact O-N 3.13Å; Q114-F117 WeakPolarHBondContact O-CB 3.41Å; Q114-F117 PolarHBondContact O-N 3.36Å; L115-F117 VanDerWaalsContact C-N 3.28Å; L115-F117 PolarHBondContact O-N 2.86Å; F117-G120 PolarHBondContact O-N 3.42Å; F117-L121 HydrophobicContact CD1-CD1 3.97Å; F117-L121 HydrophobicContact CD1-CG 4.45Å; F117-L121 HydrophobicContact CE1-CD1 3.42Å; F117-L121 VanDerWaalsContact CE1-CD1 3.42Å; F117-L121 HydrophobicContact CE1-CG 4.09Å; F117-L121 HydrophobicContact CE2-CG 4.47Å; F117-L121 HydrophobicContact CZ-CD1 3.78Å; F117-L121 HydrophobicContact CZ-CD2 4.24Å; F117-L121 HydrophobicContact CZ-CG 4.1Å; F117-L121 WeakPolarHBondContact O-CG 3.34Å; F117-L121 PolarHBondContact O-N 2.87Å; F117-I138 HydrophobicContact CB-CD1 4.15Å
118V84.4Confident74.6Confident75 Ų7572.1 Ų72.146%0.45541%0.409SS..Hα-helixtrans-64.5-40.4177.6173.60000111.7Q114 L115 G120 L121 M122Q114-V118 WeakPolarHBondContact O-CG2 3.42Å; Q114-V118 PolarHBondContact O-N 2.95Å; L115-V118 PolarHBondContact O-N 3.46Å; V118-G120 VanDerWaalsContact C-N 3.3Å; V118-G120 PolarHBondContact O-N 3.34Å; V118-L121 WeakPolarHBondContact O-CB 3.39Å; V118-L121 PolarHBondContact O-N 3.48Å; V118-L121 VanDerWaalsContact O-N 3.15Å; V118-M122 HydrophobicContact CG1-CG 4.45Å; V118-M122 WeakPolarHBondContact O-CG 3.46Å; V118-M122 PolarHBondContact O-N 3.33Å
119L79.8Confident72.3Confident67 Ų6775 Ų7535%0.35142%0.416SS..Hα-helixtrans-62.4-39.2174.3-71.9169.7000111.4L115 I116 L121 M122 L124L115-L119 HydrophobicContact CD2-CD1 3.99Å; L115-L119 HydrophobicContact CG-CD1 4.19Å; L115-L119 WeakPolarHBondContact O-CB 3.08Å; L115-L119 VanDerWaalsContact O-CG 3.32Å; L115-L119 WeakPolarHBondContact O-CG 3.1Å; L115-L119 PolarHBondContact O-N 2.99Å; I116-L119 PolarHBondContact O-N 2.83Å; L119-L121 VanDerWaalsContact C-N 3.31Å; L119-L121 PolarHBondContact O-N 3.03Å; L119-M122 PolarHBondContact O-N 2.95Å; L119-L124 HydrophobicContact CD2-CD1 3.99Å
120G72.7Confident70.4Confident41 Ų4181.8 Ų81.842%0.42345%0.451SS..Hα-helixtrans-63.9-33.2172.700000113.5I116 F117 V118I116-G120 PolarHBondContact O-N 2.65Å; F117-G120 PolarHBondContact O-N 3.42Å; V118-G120 VanDerWaalsContact C-N 3.3Å; V118-G120 PolarHBondContact O-N 3.34Å
121L73.4Confident68.7Low108 Ų10884.1 Ų84.157%0.56547%0.465SS*.Hα-helixtrans-75.4-30175.3-72179.1000113.7F117 V118 L119 E123F117-L121 HydrophobicContact CD1-CD1 3.97Å; F117-L121 HydrophobicContact CD1-CG 4.45Å; F117-L121 HydrophobicContact CE1-CD1 3.42Å; F117-L121 VanDerWaalsContact CE1-CD1 3.42Å; F117-L121 HydrophobicContact CE1-CG 4.09Å; F117-L121 HydrophobicContact CE2-CG 4.47Å; F117-L121 HydrophobicContact CZ-CD1 3.78Å; F117-L121 HydrophobicContact CZ-CD2 4.24Å; F117-L121 HydrophobicContact CZ-CG 4.1Å; F117-L121 WeakPolarHBondContact O-CG 3.34Å; F117-L121 PolarHBondContact O-N 2.87Å; V118-L121 WeakPolarHBondContact O-CB 3.39Å; V118-L121 PolarHBondContact O-N 3.48Å; V118-L121 VanDerWaalsContact O-N 3.15Å; L119-L121 VanDerWaalsContact C-N 3.31Å; L119-L121 PolarHBondContact O-N 3.03Å; L121-E123 PolarHBondContact O-N 3.47Å
122M69.6Low67.3Low142 Ų14286.5 Ų86.570%0.747%0.472SS*.THydrogen-bonded Turntrans-79.45.7-176.4-76.2-117.6170.500113.9V118 L119 L124V118-M122 HydrophobicContact CG1-CG 4.45Å; V118-M122 WeakPolarHBondContact O-CG 3.46Å; V118-M122 PolarHBondContact O-N 3.33Å; L119-M122 PolarHBondContact O-N 2.95Å; M122-L124 PolarHBondContact O-N 3.44Å
123E61Low66.4Low127 Ų12790.1 Ų90.159%0.59348%0.478SS*.THydrogen-bonded Turntrans36.149.6175.4-67.6-172161.900113L121 P125 Q129L121-E123 PolarHBondContact O-N 3.47Å; E123-P125 VanDerWaalsContact O-CD 3.24Å; E123-P125 WeakPolarHBondContact O-CD 3.4Å; E123-Q129 PolarHBondContact OE1-NE2 2.96Å
124L52.2Low65.9Low93 Ų9393.2 Ų93.249%0.48749%0.49SS..  trans-58.8117.2179.6-88.2156.8000108.2L119 M122 I126 I127L119-L124 HydrophobicContact CD2-CD1 3.99Å; M122-L124 PolarHBondContact O-N 3.44Å; L124-I126 PolarHBondContact O-N 3.34Å; L124-I127 PolarHBondContact O-N 2.97Å
125P48.9Very low65.2Low128 Ų12894.3 Ų94.383%0.83150%0.495SS*.THydrogen-bonded Turntrans-70.815.4-170.228.5-35.9000114.1E123E123-P125 VanDerWaalsContact O-CD 3.24Å; E123-P125 WeakPolarHBondContact O-CD 3.4Å
126I48.8Very low64.8Low146 Ų14693.3 Ų93.375%0.74949%0.487SS*.THydrogen-bonded Turntrans-97.5-19.9-176.4-56.1175000111L124L124-I126 PolarHBondContact O-N 3.34Å
127I45.4Very low64.7Low94 Ų9493.1 Ų93.148%0.48249%0.49SS..SBendtrans-130.2114.1-179.8-77.8152000108.2L124 Q129 W133 W134L124-I127 PolarHBondContact O-N 2.97Å; I127-Q129 PolarHBondContact O-N 3.46Å; I127-W133 HydrophobicContact CG2-CZ2 4.47Å; I127-W134 HydrophobicContact CD1-CZ2 4.37Å; I127-W134 HydrophobicContact CG2-CZ2 3.95Å
128S41.6Very low64.7Low83 Ų8391.5 Ų91.558%0.5848%0.483SS*.  trans-55130.5-178.850.30000111.2D130 T131S128-D130 PolarHBondContact O-N 3.45Å; S128-T131 PolarHBondContact O-OG1 3.3Å
129Q44.9Very low64.7Low157 Ų15788.2 Ų88.273%0.73446%0.464SS*.SBendtrans-61.17176.2-140.8169.4-4.500113.8E123 I127 T131E123-Q129 PolarHBondContact OE1-NE2 2.96Å; I127-Q129 PolarHBondContact O-N 3.46Å; Q129-T131 PolarHBondContact O-N 2.94Å
130D49.9Very low65Low149 Ų14987.9 Ų87.980%0.79747%0.471SS*.  trans-83.910.4-176.2-134.4-3.5000113S128S128-D130 PolarHBondContact O-N 3.45Å
131T55.5Low65.7Low49 Ų4987.5 Ų87.530%0.30146%0.461SS..  trans-123.999.1-163.545.30000113.4S128 Q129 W133S128-T131 PolarHBondContact O-OG1 3.3Å; Q129-T131 PolarHBondContact O-N 2.94Å; T131-W133 VanDerWaalsContact CB-NE1 3.3Å; T131-W133 PolarHBondContact O-N 3.09Å; T131-W133 PolarHBondContact OG1-NE1 2.94Å; T131-W133 VanDerWaalsContact OG1-NE1 3.07Å
132Q62.2Low66.4Low113 Ų11382.4 Ų82.453%0.52843%0.434SS..THydrogen-bonded Turntrans-51.4-12.6170.3-165.9178.1-51.200114.7W134 E135 E136Q132-W134 VanDerWaalsContact C-N 3.28Å; Q132-W134 PolarHBondContact O-N 3.48Å; Q132-E135 PolarHBondContact O-N 3.34Å; Q132-E136 PolarHBondContact NE2-OE1 3.47Å
133W71.1Confident67.3Low113 Ų11378 Ų7843%0.42841%0.412SS..Hα-helixtrans-64.1-27.4-175.971.7-111.2000114I127 T131 E136 A137I127-W133 HydrophobicContact CG2-CZ2 4.47Å; T131-W133 VanDerWaalsContact CB-NE1 3.3Å; T131-W133 PolarHBondContact O-N 3.09Å; T131-W133 PolarHBondContact OG1-NE1 2.94Å; T131-W133 VanDerWaalsContact OG1-NE1 3.07Å; W133-E136 PolarHBondContact O-N 3.45Å; W133-A137 HydrophobicContact CE3-CB 4.27Å; W133-A137 VanDerWaalsContact O-CB 3.22Å; W133-A137 WeakPolarHBondContact O-CB 3.46Å; W133-A137 PolarHBondContact O-N 3.36Å
134W74.6Confident68.6Low64 Ų6476.3 Ų76.324%0.24241%0.406CS..Hα-helixtrans-69-41.6-178.4-63.4101.2000112.1I116 I127 Q132 A137 I138I116-W134 HydrophobicContact CG2-CE3 3.55Å; I116-W134 HydrophobicContact CG2-CZ3 4.08Å; I127-W134 HydrophobicContact CD1-CZ2 4.37Å; I127-W134 HydrophobicContact CG2-CZ2 3.95Å; Q132-W134 VanDerWaalsContact C-N 3.28Å; Q132-W134 PolarHBondContact O-N 3.48Å; W134-A137 PolarHBondContact O-N 3.2Å; W134-I138 VanDerWaalsContact O-CG1 3.24Å; W134-I138 WeakPolarHBondContact O-CG1 3.33Å; W134-I138 PolarHBondContact O-N 3.42Å
135E75.3Confident70.2Confident48 Ų4871.9 Ų71.922%0.22438%0.383CS..Hα-helixtrans-64.9-41.8176.6-68.1-175.8178.600111Q132 I138 A139 R193Q132-E135 PolarHBondContact O-N 3.34Å; E135-I138 PolarHBondContact O-N 3.29Å; E135-A139 WeakPolarHBondContact O-CB 3.18Å; E135-A139 PolarHBondContact O-N 3.21Å; E135-R193 IonicContact OE1-NH1 3.61Å; E135-R193 IonicContact OE2-NH1 3.57Å
136E80.6Confident72.1Confident91 Ų9166 Ų6643%0.42535%0.345SS..Hα-helixtrans-64.4-40.3175.6-66.8177.6-170.300111.8Q132 W133 A139 A140 I190Q132-E136 PolarHBondContact NE2-OE1 3.47Å; W133-E136 PolarHBondContact O-N 3.45Å; E136-A139 PolarHBondContact O-N 2.93Å; E136-A140 WeakPolarHBondContact O-CB 3.19Å; E136-A140 PolarHBondContact O-N 3.15Å; E136-I190 HydrophobicContact CG-CD1 4.17Å; E136-I190 HydrophobicContact CG-CG2 4.49Å
137A83.2Confident73.9Confident27 Ų2764.9 Ų64.922%0.22334%0.335CS..Hα-helixtrans-65.2-44.1176.300000112.1W133 W134 A139 A140 V141W133-A137 HydrophobicContact CE3-CB 4.27Å; W133-A137 VanDerWaalsContact O-CB 3.22Å; W133-A137 WeakPolarHBondContact O-CB 3.46Å; W133-A137 PolarHBondContact O-N 3.36Å; W134-A137 PolarHBondContact O-N 3.2Å; A137-A139 VanDerWaalsContact C-N 3.34Å; A137-A139 PolarHBondContact O-N 3.4Å; A137-A140 PolarHBondContact O-N 2.83Å; A137-V141 WeakPolarHBondContact O-CB 3.28Å; A137-V141 VanDerWaalsContact O-CG2 3.23Å; A137-V141 WeakPolarHBondContact O-CG2 3.27Å; A137-V141 PolarHBondContact O-N 3.34Å
138I83.7Confident75.9Confident6 Ų661.4 Ų61.43%0.03132%0.318CS..Hα-helixtrans-61.2-45.7176.2-63.2162.9000110I116 F117 W134 E135 A140 V141 F142 L186I116-I138 HydrophobicContact CB-CG1 3.97Å; I116-I138 HydrophobicContact CG2-CD1 3.93Å; I116-I138 HydrophobicContact CG2-CG1 3.48Å; I116-I138 VanDerWaalsContact CG2-CG1 3.48Å; F117-I138 HydrophobicContact CB-CD1 4.15Å; W134-I138 VanDerWaalsContact O-CG1 3.24Å; W134-I138 WeakPolarHBondContact O-CG1 3.33Å; W134-I138 PolarHBondContact O-N 3.42Å; E135-I138 PolarHBondContact O-N 3.29Å; I138-A140 PolarHBondContact O-N 2.93Å; I138-V141 PolarHBondContact O-N 3.31Å; I138-F142 HydrophobicContact CG2-CD2 3.83Å; I138-F142 HydrophobicContact CG2-CE1 4.28Å; I138-F142 HydrophobicContact CG2-CE2 3.42Å; I138-F142 VanDerWaalsContact CG2-CE2 3.42Å; I138-F142 HydrophobicContact CG2-CG 4.39Å; I138-F142 HydrophobicContact CG2-CZ 3.67Å; I138-F142 WeakPolarHBondContact O-CG 3.41Å; I138-F142 PolarHBondContact O-N 2.68Å; I138-L186 HydrophobicContact CB-CD1 4.28Å; I138-L186 HydrophobicContact CG2-CD1 3.54Å
139A84.4Confident78Confident6 Ų657.6 Ų57.65%0.0529%0.291CS..Hα-helixtrans-59.5-45.9178.100000111.8E135 E136 A137 V141 F142 Q143 L186 I187 I190E135-A139 WeakPolarHBondContact O-CB 3.18Å; E135-A139 PolarHBondContact O-N 3.21Å; E136-A139 PolarHBondContact O-N 2.93Å; A137-A139 VanDerWaalsContact C-N 3.34Å; A137-A139 PolarHBondContact O-N 3.4Å; A139-V141 VanDerWaalsContact C-N 3.35Å; A139-V141 PolarHBondContact O-N 2.91Å; A139-F142 PolarHBondContact O-N 2.96Å; A139-Q143 VanDerWaalsContact O-CB 3.27Å; A139-Q143 WeakPolarHBondContact O-CB 3.19Å; A139-Q143 PolarHBondContact O-N 3.41Å; A139-L186 HydrophobicContact CB-CB 3.93Å; A139-L186 HydrophobicContact CB-CD1 4.42Å; A139-I187 HydrophobicContact CB-CG1 4.3Å; A139-I190 HydrophobicContact CB-CD1 3.88Å
140A85.7Confident80Confident60 Ų6053 Ų5350%0.49627%0.273SS..Hα-helixtrans-61.5-42.2178.100000112.3E136 A137 I138 Q143 L144E136-A140 WeakPolarHBondContact O-CB 3.19Å; E136-A140 PolarHBondContact O-N 3.15Å; A137-A140 PolarHBondContact O-N 2.83Å; I138-A140 PolarHBondContact O-N 2.93Å; A140-Q143 PolarHBondContact O-N 2.04Å; A140-L144 WeakPolarHBondContact O-CB 3.45Å; A140-L144 PolarHBondContact O-N 3.3Å
141V87.6Confident81.7Confident34 Ų3449.8 Ų49.821%0.20626%0.255CS..Hα-helixtrans-70.9-40.9-178.6174.40000111.8A109 A112 A137 I138 A139 Q143 L144 A145A109-V141 HydrophobicContact CB-CG1 3.97Å; A109-V141 WeakPolarHBondContact O-CG1 2.87Å; A112-V141 HydrophobicContact CB-CG1 4.29Å; A137-V141 WeakPolarHBondContact O-CB 3.28Å; A137-V141 VanDerWaalsContact O-CG2 3.23Å; A137-V141 WeakPolarHBondContact O-CG2 3.27Å; A137-V141 PolarHBondContact O-N 3.34Å; I138-V141 PolarHBondContact O-N 3.31Å; A139-V141 VanDerWaalsContact C-N 3.35Å; A139-V141 PolarHBondContact O-N 2.91Å; V141-Q143 VanDerWaalsContact C-N 3.34Å; V141-L144 PolarHBondContact O-N 2.99Å; V141-A145 PolarHBondContact O-N 2.99Å
142F87.6Confident82.8Confident0 Ų047.4 Ų47.40%024%0.241CC..Hα-helixtrans-66.4-37.1174.1-70-11.8000112.2V11 A14 L110 I138 A139 A145 S146 A182 A183 L186V11-F142 HydrophobicContact CG2-CE2 4.3Å; V11-F142 HydrophobicContact CG2-CZ 4.45Å; A14-F142 HydrophobicContact CB-CD1 4.2Å; A14-F142 HydrophobicContact CB-CD2 3.97Å; A14-F142 HydrophobicContact CB-CE1 3.79Å; A14-F142 HydrophobicContact CB-CE2 3.55Å; A14-F142 HydrophobicContact CB-CG 4.3Å; A14-F142 HydrophobicContact CB-CZ 3.46Å; A14-F142 VanDerWaalsContact CB-CZ 3.46Å; L110-F142 HydrophobicContact CD2-CD1 4.06Å; L110-F142 HydrophobicContact CD2-CE1 4.39Å; I138-F142 HydrophobicContact CG2-CD2 3.83Å; I138-F142 HydrophobicContact CG2-CE1 4.28Å; I138-F142 HydrophobicContact CG2-CE2 3.42Å; I138-F142 VanDerWaalsContact CG2-CE2 3.42Å; I138-F142 HydrophobicContact CG2-CG 4.39Å; I138-F142 HydrophobicContact CG2-CZ 3.67Å; I138-F142 WeakPolarHBondContact O-CG 3.41Å; I138-F142 PolarHBondContact O-N 2.68Å; A139-F142 PolarHBondContact O-N 2.96Å; F142-A145 WeakPolarHBondContact O-CB 3.32Å; F142-A145 PolarHBondContact O-N 2.95Å; F142-S146 PolarHBondContact O-N 2.89Å; F142-A182 HydrophobicContact CD2-CB 4.24Å; F142-A183 HydrophobicContact CB-CB 4.1Å; F142-L186 HydrophobicContact CD2-CD1 3.55Å; F142-L186 HydrophobicContact CE2-CD1 3.82Å
143Q89.3Confident83.5Confident51 Ų5143.9 Ų43.924%0.23823%0.225CC..Hα-helixtrans-63.9-43.4174-171.964.518.600111.3A139 A140 V141 A145 S146 F147 A183A139-Q143 VanDerWaalsContact O-CB 3.27Å; A139-Q143 WeakPolarHBondContact O-CB 3.19Å; A139-Q143 PolarHBondContact O-N 3.41Å; A140-Q143 PolarHBondContact O-N 2.04Å; V141-Q143 VanDerWaalsContact C-N 3.34Å; Q143-A145 VanDerWaalsContact C-N 3.34Å; Q143-A145 PolarHBondContact O-N 3.03Å; Q143-S146 PolarHBondContact O-N 3.33Å; Q143-F147 HydrophobicContact CG-CD2 3.86Å; Q143-F147 HydrophobicContact CG-CE2 3.59Å; Q143-F147 VanDerWaalsContact O-CD2 3.24Å; Q143-F147 WeakPolarHBondContact O-CD2 3.41Å; Q143-F147 PolarHBondContact O-N 3.4Å; Q143-A183 HydrophobicContact CB-CB 4.21Å
144L88.1Confident84Confident91 Ų9142.2 Ų42.248%0.47623%0.228SC..Hα-helixtrans-59.4-44.6174.4-178.2147.5000111.3I105 A109 A140 V141 S146 F147 V148I105-L144 HydrophobicContact CG2-CD2 4.21Å; A109-L144 HydrophobicContact CB-CD2 3.71Å; A140-L144 WeakPolarHBondContact O-CB 3.45Å; A140-L144 PolarHBondContact O-N 3.3Å; V141-L144 PolarHBondContact O-N 2.99Å; L144-S146 VanDerWaalsContact C-N 3.33Å; L144-S146 PolarHBondContact O-N 2.67Å; L144-F147 PolarHBondContact O-N 2.86Å; L144-V148 HydrophobicContact CD2-CG2 4.16Å; L144-V148 HydrophobicContact CG-CG2 4.48Å; L144-V148 VanDerWaalsContact O-CG2 3.27Å; L144-V148 WeakPolarHBondContact O-CG2 3.37Å; L144-V148 PolarHBondContact O-N 2.96Å
145A86.8Confident83.8Confident0 Ų040.4 Ų40.40%022%0.223CC..Hα-helixtrans-58-46.1176.400000111.9A109 L110 V141 F142 Q143 V148 L149A109-A145 HydrophobicContact CB-CB 3.77Å; L110-A145 HydrophobicContact CD2-CB 3.93Å; L110-A145 HydrophobicContact CG-CB 3.75Å; V141-A145 PolarHBondContact O-N 2.99Å; F142-A145 WeakPolarHBondContact O-CB 3.32Å; F142-A145 PolarHBondContact O-N 2.95Å; Q143-A145 VanDerWaalsContact C-N 3.34Å; Q143-A145 PolarHBondContact O-N 3.03Å; A145-V148 PolarHBondContact O-N 3.37Å; A145-L149 VanDerWaalsContact O-CG 3.28Å; A145-L149 WeakPolarHBondContact O-CG 3.11Å; A145-L149 PolarHBondContact O-N 2.97Å
146S87.3Confident83.5Confident5 Ų539 Ų394%0.03522%0.217CC..Hα-helixtrans-58.3-51.5176.1171.20000111.8F142 Q143 L144 V148 L149 V150 T180F142-S146 PolarHBondContact O-N 2.89Å; Q143-S146 PolarHBondContact O-N 3.33Å; L144-S146 VanDerWaalsContact C-N 3.33Å; L144-S146 PolarHBondContact O-N 2.67Å; S146-V148 VanDerWaalsContact C-N 3.3Å; S146-V148 PolarHBondContact O-N 2.91Å; S146-L149 PolarHBondContact O-N 3.45Å; S146-L149 VanDerWaalsContact O-N 3.15Å; S146-V150 WeakPolarHBondContact O-CG2 3.48Å; S146-V150 PolarHBondContact O-N 3.4Å; S146-T180 PolarHBondContact OG-OG1 2.88Å
147F87.3Confident82.8Confident122 Ų12242 Ų4254%0.53523%0.225SC..Hα-helixtrans-57.2-44.2179.9-84.7-64.2000112.6Q143 L144 V150 I151Q143-F147 HydrophobicContact CG-CD2 3.86Å; Q143-F147 HydrophobicContact CG-CE2 3.59Å; Q143-F147 VanDerWaalsContact O-CD2 3.24Å; Q143-F147 WeakPolarHBondContact O-CD2 3.41Å; Q143-F147 PolarHBondContact O-N 3.4Å; L144-F147 PolarHBondContact O-N 2.86Å; F147-V150 PolarHBondContact O-N 3.2Å; F147-I151 VanDerWaalsContact O-CG1 3.28Å; F147-I151 WeakPolarHBondContact O-CG1 3.31Å; F147-I151 PolarHBondContact O-N 3.46Å
148V87.6Confident81.9Confident21 Ų2150.8 Ų50.813%0.12725%0.253CS..Hα-helixtrans-66.3-40.3179.8174.40000111.2C102 I105 L144 A145 S146 V150 I151 G152C102-V148 VanDerWaalsContact CA-CG1 3.42Å; C102-V148 HydrophobicContact CB-CG1 3.67Å; C102-V148 WeakPolarHBondContact CB-O 3.24Å; C102-V148 VanDerWaalsContact O-CG1 3.26Å; C102-V148 WeakPolarHBondContact O-CG1 3.41Å; I105-V148 HydrophobicContact CB-CG1 3.98Å; I105-V148 HydrophobicContact CG2-CB 4.4Å; I105-V148 HydrophobicContact CG2-CG1 3.94Å; I105-V148 HydrophobicContact CG2-CG2 3.92Å; L144-V148 HydrophobicContact CD2-CG2 4.16Å; L144-V148 HydrophobicContact CG-CG2 4.48Å; L144-V148 VanDerWaalsContact O-CG2 3.27Å; L144-V148 WeakPolarHBondContact O-CG2 3.37Å; L144-V148 PolarHBondContact O-N 2.96Å; A145-V148 PolarHBondContact O-N 3.37Å; S146-V148 VanDerWaalsContact C-N 3.3Å; S146-V148 PolarHBondContact O-N 2.91Å; V148-V150 PolarHBondContact O-N 2.81Å; V148-I151 PolarHBondContact O-N 2.92Å; V148-G152 PolarHBondContact O-N 3.11Å
149L85.1Confident80.6Confident2 Ų252.3 Ų52.31%0.0126%0.26CS..Hα-helixtrans-62.8-40.4174.5-71.1174.6000112.3N21 A106 A145 S146 G152 L153 C176 A179N21-L149 WeakPolarHBondContact OD1-CD2 3.35Å; A106-L149 HydrophobicContact CB-CD1 4.24Å; A106-L149 HydrophobicContact CB-CD2 3.43Å; A106-L149 VanDerWaalsContact CB-CD2 3.43Å; A106-L149 HydrophobicContact CB-CG 3.56Å; A145-L149 VanDerWaalsContact O-CG 3.28Å; A145-L149 WeakPolarHBondContact O-CG 3.11Å; A145-L149 PolarHBondContact O-N 2.97Å; S146-L149 PolarHBondContact O-N 3.45Å; S146-L149 VanDerWaalsContact O-N 3.15Å; L149-G152 PolarHBondContact O-N 2.83Å; L149-L153 WeakPolarHBondContact O-CB 3.4Å; L149-L153 PolarHBondContact O-N 3.09Å; L149-C176 HydrophobicContact CB-CB 4.14Å; L149-A179 HydrophobicContact CD1-CB 4.33Å
150V86.5Confident78.9Confident60 Ų6053.1 Ų53.136%0.36427%0.27SS..Hα-helixtrans-62.3-47174.7175.10000110.7S146 F147 V148 G152 L153 V154 C176S146-V150 WeakPolarHBondContact O-CG2 3.48Å; S146-V150 PolarHBondContact O-N 3.4Å; F147-V150 PolarHBondContact O-N 3.2Å; V148-V150 PolarHBondContact O-N 2.81Å; V150-G152 VanDerWaalsContact C-N 3.3Å; V150-G152 PolarHBondContact O-N 2.85Å; V150-L153 PolarHBondContact O-N 3.01Å; V150-L153 VanDerWaalsContact O-N 3.14Å; V150-V154 HydrophobicContact CG1-CG2 4.15Å; V150-V154 WeakPolarHBondContact O-CG2 3.32Å; V150-V154 PolarHBondContact O-N 3.02Å; V150-C176 WeakPolarHBondContact CG2-SG 3.47Å
151I85.5Confident76.7Confident82 Ų8255.8 Ų55.842%0.42128%0.282SS..Hα-helixtrans-59.2-44.8178.6-69.5165.6000110.2M98 F147 V148 L153 V154 T155M98-I151 HydrophobicContact CE-CG2 3.69Å; F147-I151 VanDerWaalsContact O-CG1 3.28Å; F147-I151 WeakPolarHBondContact O-CG1 3.31Å; F147-I151 PolarHBondContact O-N 3.46Å; V148-I151 PolarHBondContact O-N 2.92Å; I151-L153 PolarHBondContact O-N 3.45Å; I151-V154 PolarHBondContact O-N 3.15Å; I151-T155 HydrophobicContact CG2-CG2 4.42Å; I151-T155 WeakPolarHBondContact O-CB 3.29Å; I151-T155 VanDerWaalsContact O-CG2 3.31Å; I151-T155 WeakPolarHBondContact O-CG2 3.42Å; I151-T155 PolarHBondContact O-N 2.99Å; I151-T155 PolarHBondContact O-OG1 3.43Å
152G78.9Confident74.7Confident0 Ų064.5 Ų64.50%031%0.313CS..Hα-helixtrans-58.3-45.517400000112.7M99 V148 L149 V150 T155 F156M99-G152 WeakPolarHBondContact SD-CA 3.26Å; V148-G152 PolarHBondContact O-N 3.11Å; L149-G152 PolarHBondContact O-N 2.83Å; V150-G152 VanDerWaalsContact C-N 3.3Å; V150-G152 PolarHBondContact O-N 2.85Å; G152-T155 WeakPolarHBondContact CA-OG1 3.48Å; G152-T155 PolarHBondContact O-OG1 2.94Å; G152-F156 WeakPolarHBondContact O-CB 3.2Å; G152-F156 PolarHBondContact O-N 3.22Å
153L78.1Confident73Confident38 Ų3867.2 Ų67.220%0.19933%0.329CS..Hα-helixtrans-63.8-46.8178.7-164.699.4000112.4L149 V150 I151 F156 Y157 I173L149-L153 WeakPolarHBondContact O-CB 3.4Å; L149-L153 PolarHBondContact O-N 3.09Å; V150-L153 PolarHBondContact O-N 3.01Å; V150-L153 VanDerWaalsContact O-N 3.14Å; I151-L153 PolarHBondContact O-N 3.45Å; L153-F156 PolarHBondContact O-N 2.53Å; L153-Y157 WeakPolarHBondContact O-CB 3.32Å; L153-Y157 PolarHBondContact O-N 3.41Å; L153-I173 HydrophobicContact CD1-CD1 4.37Å; L153-I173 HydrophobicContact CD1-CG1 3.48Å; L153-I173 VanDerWaalsContact CD1-CG1 3.48Å; L153-I173 HydrophobicContact CD2-CG1 4.18Å; L153-I173 HydrophobicContact CG-CG1 4.46Å
154V80Confident71.5Confident79 Ų7971 Ų7148%0.47935%0.351SS..Hα-helixtrans-65.6-41.3-178.9172.10000110.8V150 I151 F156 Y157 R158V150-V154 HydrophobicContact CG1-CG2 4.15Å; V150-V154 WeakPolarHBondContact O-CG2 3.32Å; V150-V154 PolarHBondContact O-N 3.02Å; I151-V154 PolarHBondContact O-N 3.15Å; V154-F156 VanDerWaalsContact C-N 3.29Å; V154-F156 PolarHBondContact O-N 3.27Å; V154-Y157 PolarHBondContact O-N 3.47Å; V154-R158 PolarHBondContact O-N 3.02Å
155T71.4Confident70.2Confident25 Ų2569.6 Ų69.615%0.15334%0.344CS..Hα-helixtrans-64.3-36.2176.546.90000111.8M98 I151 G152 I159M98-T155 HydrophobicContact CE-CG2 3.82Å; M98-T155 HydrophobicContact SD-CG2 3.8Å; I151-T155 HydrophobicContact CG2-CG2 4.42Å; I151-T155 WeakPolarHBondContact O-CB 3.29Å; I151-T155 VanDerWaalsContact O-CG2 3.31Å; I151-T155 WeakPolarHBondContact O-CG2 3.42Å; I151-T155 PolarHBondContact O-N 2.99Å; I151-T155 PolarHBondContact O-OG1 3.43Å; G152-T155 WeakPolarHBondContact CA-OG1 3.48Å; G152-T155 PolarHBondContact O-OG1 2.94Å; T155-I159 WeakPolarHBondContact O-CG1 3.49Å
156F68.6Low69.3Low19 Ų1969.8 Ų69.88%0.08335%0.345CS..Hα-helixtrans-70.5-41.7173.7-174-97.4000113.7W30 V31 F96 G152 L153 V154 R158 I159W30-F156 HydrophobicContact CB-CZ 4.48Å; W30-F156 HydrophobicContact CE3-CE2 4.39Å; W30-F156 HydrophobicContact CE3-CZ 4.24Å; V31-F156 HydrophobicContact CG2-CE2 4.05Å; V31-F156 HydrophobicContact CG2-CZ 3.5Å; V31-F156 VanDerWaalsContact CG2-CZ 3.5Å; F96-F156 HydrophobicContact CE1-CE2 4.01Å; F96-F156 AromaticContact CZ-CE2 3.98Å; F96-F156 HydrophobicContact CZ-CE2 3.98Å; G152-F156 WeakPolarHBondContact O-CB 3.2Å; G152-F156 PolarHBondContact O-N 3.22Å; L153-F156 PolarHBondContact O-N 2.53Å; V154-F156 VanDerWaalsContact C-N 3.29Å; V154-F156 PolarHBondContact O-N 3.27Å; F156-R158 PolarHBondContact O-N 3.42Å; F156-I159 HydrophobicContact CB-CD1 4.49Å; F156-I159 HydrophobicContact CD2-CD1 3.99Å; F156-I159 VanDerWaalsContact O-CB 3.31Å; F156-I159 WeakPolarHBondContact O-CB 3.26Å; F156-I159 VanDerWaalsContact O-CG1 3.27Å; F156-I159 WeakPolarHBondContact O-CG1 3.23Å; F156-I159 PolarHBondContact O-N 3.32Å
157Y66.2Low68.6Low154 Ų15477.6 Ų77.660%0.60437%0.374SS*.Hα-helixtrans-65.2-26.2-179.8-143.3-89.1000112.6L153 V154 I159 L165L153-Y157 WeakPolarHBondContact O-CB 3.32Å; L153-Y157 PolarHBondContact O-N 3.41Å; V154-Y157 PolarHBondContact O-N 3.47Å; Y157-I159 VanDerWaalsContact C-N 3.25Å; Y157-I159 PolarHBondContact O-N 2.91Å; Y157-L165 HydrophobicContact CE2-CD1 3.94Å
158R63.7Low68Low211 Ų21171.8 Ų71.880%0.79635%0.349SS*.THydrogen-bonded Turntrans-72.1-11.5173.6-81-80.9-170.3105.5-0.9113.9V154 F156V154-R158 PolarHBondContact O-N 3.02Å; F156-R158 PolarHBondContact O-N 3.42Å
159I56.5Low67.5Low38 Ų3870.9 Ų70.920%0.19534%0.343CS..THydrogen-bonded Turntrans-83.6-25.5-170.7-51.4179.8000113.2V92 Q95 F96 T155 F156 Y157V92-I159 HydrophobicContact CG1-CG2 3.9Å; V92-I159 HydrophobicContact CG2-CG2 4.39Å; Q95-I159 HydrophobicContact CB-CD1 3.3Å; Q95-I159 HydrophobicContact CB-CG1 3.74Å; Q95-I159 HydrophobicContact CG-CD1 4.31Å; Q95-I159 HydrophobicContact CG-CG1 4.23Å; F96-I159 HydrophobicContact CD2-CD1 4.44Å; T155-I159 WeakPolarHBondContact O-CG1 3.49Å; F156-I159 HydrophobicContact CB-CD1 4.49Å; F156-I159 HydrophobicContact CD2-CD1 3.99Å; F156-I159 VanDerWaalsContact O-CB 3.31Å; F156-I159 WeakPolarHBondContact O-CB 3.26Å; F156-I159 VanDerWaalsContact O-CG1 3.27Å; F156-I159 WeakPolarHBondContact O-CG1 3.23Å; F156-I159 PolarHBondContact O-N 3.32Å; Y157-I159 VanDerWaalsContact C-N 3.25Å; Y157-I159 PolarHBondContact O-N 2.91Å
160G49.7Very low67.3Low24 Ų2477.2 Ų77.225%0.24737%0.368CS..  trans-147.7107.5-164.500000117.1Y162 T163G160-Y162 PolarHBondContact O-N 2.86Å; G160-T163 PolarHBondContact O-OG1 3.03Å
161P39.1Very low67.2Low116 Ų11675.6 Ų75.675%0.75336%0.357SS*.THydrogen-bonded Turntrans-75.9-5164.927.4-29.3000114.1
162Y45Very low67.2Low217 Ų21771.7 Ų71.785%0.85134%0.337SS*.THydrogen-bonded Turntrans-127.415-175.2-59.9-68.3000114.7G160G160-Y162 PolarHBondContact O-N 2.86Å
163T53Low67.5Low57 Ų5774.3 Ų74.335%0.3535%0.35SS..PPolyproline II helixtrans-102.9116.7-178.851.70000110.5V31 G160 L165V31-T163 HydrophobicContact CG1-CG2 3.48Å; V31-T163 VanDerWaalsContact CG1-CG2 3.48Å; G160-T163 PolarHBondContact O-OG1 3.03Å; T163-L165 PolarHBondContact O-N 3.24Å
164N57.4Low67.9Low129 Ų12973.6 Ų73.669%0.6935%0.352SS*.PPolyproline II helixtrans-67124.2170.7-73.8-72.2000109.3S166N164-S166 PolarHBondContact O-N 2.94Å
165L61.5Low68.3Low63 Ų6369.9 Ų69.933%0.3333%0.329SS..BIsolated β-bridgetrans-56.7124.1174.3-106.192.7000109.4Y157 T163 C169 Y170Y157-L165 HydrophobicContact CE2-CD1 3.94Å; T163-L165 PolarHBondContact O-N 3.24Å; L165-C169 HydrophobicContact CD2-CB 4.04Å; L165-C169 VanDerWaalsContact CD2-SG 3.59Å; L165-C169 HydrophobicContact CG-CB 4.24Å; L165-Y170 HydrophobicContact CB-CE2 4.03Å; L165-Y170 HydrophobicContact CD2-CE1 4.06Å; L165-Y170 HydrophobicContact CD2-CE2 4.24Å
166S67.5Low69.1Low4 Ų469.2 Ų69.23%0.02833%0.326CS..  trans-106169.2176.454.10000111.5N29 W30 V31 N164 S168 C169N29-S166 WeakPolarHBondContact O-CB 3.35Å; N29-S166 PolarHBondContact O-OG 3.24Å; W30-S166 VanDerWaalsContact CA-OG 3.25Å; W30-S166 WeakPolarHBondContact CA-OG 3.32Å; W30-S166 PolarHBondContact N-OG 3.44Å; W30-S166 PolarHBondContact O-OG 2.95Å; V31-S166 PolarHBondContact N-OG 2.93Å; N164-S166 PolarHBondContact O-N 2.94Å; S166-S168 VanDerWaalsContact C-N 3.26Å; S166-S168 PolarHBondContact O-N 2.8Å; S166-S168 VanDerWaalsContact O-N 3.09Å; S166-C169 WeakPolarHBondContact O-CB 3.42Å; S166-C169 PolarHBondContact O-N 3.32Å
167W73Confident70.1Confident169 Ų16973.9 Ų73.964%0.6435%0.351SS*.Hα-helixtrans-45.8-42.1-173.2-178.5-105.7000114.9C169 Y170 L171W167-C169 VanDerWaalsContact C-N 3.3Å; W167-C169 PolarHBondContact O-N 3Å; W167-Y170 PolarHBondContact O-N 3.48Å; W167-L171 HydrophobicContact CZ2-CD2 4.1Å; W167-L171 PolarHBondContact O-N 3.26Å; W167-L171 VanDerWaalsContact O-N 3.09Å
168S73.3Confident71.3Confident0 Ų068.9 Ų68.90%033%0.334CS..Hα-helixtrans-66.3-30.4-176.8-51.70000113.3T27 N29 S166 L171 N172T27-S168 WeakPolarHBondContact CB-OG 3.35Å; T27-S168 PolarHBondContact OG1-OG 2.95Å; N29-S168 VanDerWaalsContact C-OG 3.28Å; N29-S168 WeakPolarHBondContact O-CB 3.28Å; N29-S168 PolarHBondContact O-N 3Å; N29-S168 PolarHBondContact O-OG 3.11Å; S166-S168 VanDerWaalsContact C-N 3.26Å; S166-S168 PolarHBondContact O-N 2.8Å; S166-S168 VanDerWaalsContact O-N 3.09Å; S168-L171 PolarHBondContact O-N 2.83Å; S168-N172 PolarHBondContact O-N 2.88Å
169C76.8Confident72.5Confident1 Ų158.8 Ų58.81%0.00730%0.296CS..Hα-helixtrans-66.7-42.9174.9-171.40000110.9L165 S166 W167 L171 N172 I173L165-C169 HydrophobicContact CD2-CB 4.04Å; L165-C169 VanDerWaalsContact CD2-SG 3.59Å; L165-C169 HydrophobicContact CG-CB 4.24Å; S166-C169 WeakPolarHBondContact O-CB 3.42Å; S166-C169 PolarHBondContact O-N 3.32Å; W167-C169 VanDerWaalsContact C-N 3.3Å; W167-C169 PolarHBondContact O-N 3Å; C169-L171 VanDerWaalsContact C-N 3.34Å; C169-L171 PolarHBondContact O-N 2.88Å; C169-N172 PolarHBondContact O-N 2.87Å; C169-N172 VanDerWaalsContact O-N 3.15Å; C169-I173 WeakPolarHBondContact O-CG1 3.43Å; C169-I173 PolarHBondContact O-N 2.81Å
170Y82.1Confident74.1Confident135 Ų13559.6 Ų59.653%0.52930%0.303SS..Hα-helixtrans-63.3-38.7175.2-67.9-70.4000112.6L165 W167 N172 I173 G174L165-Y170 HydrophobicContact CB-CE2 4.03Å; L165-Y170 HydrophobicContact CD2-CE1 4.06Å; L165-Y170 HydrophobicContact CD2-CE2 4.24Å; W167-Y170 PolarHBondContact O-N 3.48Å; Y170-N172 VanDerWaalsContact C-N 3.32Å; Y170-N172 PolarHBondContact O-N 3.33Å; Y170-I173 PolarHBondContact O-N 3.39Å; Y170-G174 PolarHBondContact O-N 2.88Å
171L83.9Confident76Confident27 Ų2762.6 Ų62.614%0.14131%0.313CS..Hα-helixtrans-61.5-41172.9-66.3-180000111.7L20 A23 A24 W167 S168 C169 G174 A175L20-L171 HydrophobicContact CD2-CD2 3.85Å; A23-L171 HydrophobicContact CB-CD1 4.33Å; A24-L171 HydrophobicContact CB-CB 3.99Å; W167-L171 HydrophobicContact CZ2-CD2 4.1Å; W167-L171 PolarHBondContact O-N 3.26Å; W167-L171 VanDerWaalsContact O-N 3.09Å; S168-L171 PolarHBondContact O-N 2.83Å; C169-L171 VanDerWaalsContact C-N 3.34Å; C169-L171 PolarHBondContact O-N 2.88Å; L171-G174 PolarHBondContact O-N 3.46Å; L171-A175 WeakPolarHBondContact O-CB 3.48Å; L171-A175 PolarHBondContact O-N 2.97Å
172N84.9Confident78.4Confident0 Ų057.1 Ų57.10%028%0.277CS..Hα-helixtrans-68-37.5178-166.272.5000112.5A24 W30 M99 S168 C169 Y170 A175 C176A24-N172 HydrophobicContact CB-CB 4.16Å; W30-N172 HydrophobicContact CH2-CB 3.7Å; W30-N172 HydrophobicContact CZ3-CB 4.21Å; M99-N172 WeakPolarHBondContact CE-ND2 3.25Å; S168-N172 PolarHBondContact O-N 2.88Å; C169-N172 PolarHBondContact O-N 2.87Å; C169-N172 VanDerWaalsContact O-N 3.15Å; Y170-N172 VanDerWaalsContact C-N 3.32Å; Y170-N172 PolarHBondContact O-N 3.33Å; N172-A175 PolarHBondContact O-N 2.94Å; N172-C176 WeakPolarHBondContact O-CB 3.32Å; N172-C176 PolarHBondContact O-N 3.48Å
173I85.5Confident80.5Confident55 Ų5546.8 Ų46.828%0.28224%0.237SC..Hα-helixtrans-61.3-46.8171.2-65.4167.6000110L153 C169 Y170 A175 C176 L177L153-I173 HydrophobicContact CD1-CD1 4.37Å; L153-I173 HydrophobicContact CD1-CG1 3.48Å; L153-I173 VanDerWaalsContact CD1-CG1 3.48Å; L153-I173 HydrophobicContact CD2-CG1 4.18Å; L153-I173 HydrophobicContact CG-CG1 4.46Å; C169-I173 WeakPolarHBondContact O-CG1 3.43Å; C169-I173 PolarHBondContact O-N 2.81Å; Y170-I173 PolarHBondContact O-N 3.39Å; I173-A175 PolarHBondContact O-N 3.36Å; I173-C176 WeakPolarHBondContact O-CB 3.47Å; I173-C176 PolarHBondContact O-N 2.87Å; I173-L177 HydrophobicContact CG2-CD1 4.12Å; I173-L177 HydrophobicContact CG2-CG 4.44Å; I173-L177 WeakPolarHBondContact O-CG 3.25Å; I173-L177 PolarHBondContact O-N 3.24Å
174G86.9Confident82.1Confident23 Ų2346.5 Ų46.524%0.23724%0.24CC..Hα-helixtrans-59.1-45.117600000112.5Y170 L171 C176 L177 L178Y170-G174 PolarHBondContact O-N 2.88Å; L171-G174 PolarHBondContact O-N 3.46Å; G174-C176 VanDerWaalsContact C-N 3.32Å; G174-C176 PolarHBondContact O-N 2.75Å; G174-L177 PolarHBondContact O-N 3.32Å; G174-L178 WeakPolarHBondContact O-CB 3.49Å; G174-L178 VanDerWaalsContact O-CG 3.31Å; G174-L178 WeakPolarHBondContact O-CG 3.36Å; G174-L178 PolarHBondContact O-N 2.99Å
175A88.6Confident83.6Confident0 Ų042.5 Ų42.50%022%0.218CC..Hα-helixtrans-58.1-45.4175.100000111.5S17 L20 N21 L171 N172 I173 L178 A179S17-A175 WeakPolarHBondContact CB-O 3.42Å; S17-A175 PolarHBondContact OG-O 2.89Å; L20-A175 HydrophobicContact CB-CB 3.84Å; N21-A175 HydrophobicContact CB-CB 4.1Å; L171-A175 WeakPolarHBondContact O-CB 3.48Å; L171-A175 PolarHBondContact O-N 2.97Å; N172-A175 PolarHBondContact O-N 2.94Å; I173-A175 PolarHBondContact O-N 3.36Å; A175-L178 PolarHBondContact O-N 3.45Å; A175-A179 WeakPolarHBondContact O-CB 3.37Å; A175-A179 PolarHBondContact O-N 3.31Å
176C87.6Confident84.7Confident12 Ų1239.6 Ų39.68%0.08120%0.203CC..Hα-helixtrans-61.9-47.3178.2-172.60000112.3L149 V150 N172 I173 G174 L178 A179 T180L149-C176 HydrophobicContact CB-CB 4.14Å; V150-C176 WeakPolarHBondContact CG2-SG 3.47Å; N172-C176 WeakPolarHBondContact O-CB 3.32Å; N172-C176 PolarHBondContact O-N 3.48Å; I173-C176 WeakPolarHBondContact O-CB 3.47Å; I173-C176 PolarHBondContact O-N 2.87Å; G174-C176 VanDerWaalsContact C-N 3.32Å; G174-C176 PolarHBondContact O-N 2.75Å; C176-L178 VanDerWaalsContact C-N 3.33Å; C176-L178 PolarHBondContact O-N 3.32Å; C176-A179 PolarHBondContact O-N 2.91Å; C176-T180 PolarHBondContact O-N 3.42Å; C176-T180 PolarHBondContact O-OG1 2.89Å
177L90.7Very high85.5Confident116 Ų11643.2 Ų43.261%0.60722%0.221SC*.Hα-helixtrans-62.1-42.1179.2-70.7174.6000111.7I173 G174 T180 L181I173-L177 HydrophobicContact CG2-CD1 4.12Å; I173-L177 HydrophobicContact CG2-CG 4.44Å; I173-L177 WeakPolarHBondContact O-CG 3.25Å; I173-L177 PolarHBondContact O-N 3.24Å; G174-L177 PolarHBondContact O-N 3.32Å; L177-T180 PolarHBondContact O-N 3.46Å; L177-L181 WeakPolarHBondContact O-CB 3.36Å; L177-L181 PolarHBondContact O-N 3.33Å
178L90.5Very high86.1Confident49 Ų4943.3 Ų43.326%0.25722%0.222SC..Hα-helixtrans-68.4-38.9177.7-68.9168.7000112V13 V16 L20 G174 A175 C176 T180 L181 A182V13-L178 HydrophobicContact CG1-CB 4Å; V13-L178 HydrophobicContact CG1-CD2 3.93Å; V13-L178 VanDerWaalsContact CG1-O 3.26Å; V13-L178 WeakPolarHBondContact CG1-O 3.5Å; V16-L178 HydrophobicContact CB-CD1 4.36Å; V16-L178 HydrophobicContact CG1-CD1 3.75Å; L20-L178 HydrophobicContact CD1-CD1 3.5Å; L20-L178 VanDerWaalsContact CD1-CD1 3.5Å; G174-L178 WeakPolarHBondContact O-CB 3.49Å; G174-L178 VanDerWaalsContact O-CG 3.31Å; G174-L178 WeakPolarHBondContact O-CG 3.36Å; G174-L178 PolarHBondContact O-N 2.99Å; A175-L178 PolarHBondContact O-N 3.45Å; C176-L178 VanDerWaalsContact C-N 3.33Å; C176-L178 PolarHBondContact O-N 3.32Å; L178-T180 VanDerWaalsContact C-N 3.35Å; L178-T180 PolarHBondContact O-N 2.89Å; L178-L181 PolarHBondContact O-N 3.01Å; L178-A182 WeakPolarHBondContact O-CB 3.48Å; L178-A182 PolarHBondContact O-N 3.33Å
179A88.9Confident86.6Confident0 Ų043.9 Ų43.90%023%0.225CC..Hα-helixtrans-60.9-45174.200000111.3L149 A175 C176 A182 A183L149-A179 HydrophobicContact CD1-CB 4.33Å; A175-A179 WeakPolarHBondContact O-CB 3.37Å; A175-A179 PolarHBondContact O-N 3.31Å; C176-A179 PolarHBondContact O-N 2.91Å; A179-A182 PolarHBondContact O-N 3.5Å; A179-A183 PolarHBondContact O-N 3.13Å
180T89.6Confident86.8Confident55 Ų5545.3 Ų45.334%0.33723%0.232SC..Hα-helixtrans-62.2-43.1175.6-54.20000111.7S146 C176 L177 L178 A183 A184S146-T180 PolarHBondContact OG-OG1 2.88Å; C176-T180 PolarHBondContact O-N 3.42Å; C176-T180 PolarHBondContact O-OG1 2.89Å; L177-T180 PolarHBondContact O-N 3.46Å; L178-T180 VanDerWaalsContact C-N 3.35Å; L178-T180 PolarHBondContact O-N 2.89Å; T180-A183 PolarHBondContact O-N 2.86Å; T180-A184 VanDerWaalsContact O-CB 3.29Å; T180-A184 WeakPolarHBondContact O-CB 3.49Å; T180-A184 PolarHBondContact O-N 2.91Å
181L91Very high86.6Confident87 Ų8743 Ų4346%0.45523%0.228SC..Hα-helixtrans-64.8-42.5179.1-174.3138.8000111.4V13 L177 L178 A184 I185V13-L181 HydrophobicContact CB-CD2 4.47Å; V13-L181 HydrophobicContact CG1-CD2 3.74Å; V13-L181 HydrophobicContact CG2-CD2 4.11Å; L177-L181 WeakPolarHBondContact O-CB 3.36Å; L177-L181 PolarHBondContact O-N 3.33Å; L178-L181 PolarHBondContact O-N 3.01Å; L181-A184 PolarHBondContact O-N 3.39Å; L181-I185 HydrophobicContact CD2-CD1 3.48Å; L181-I185 VanDerWaalsContact CD2-CD1 3.48Å; L181-I185 HydrophobicContact CD2-CG1 4.4Å; L181-I185 HydrophobicContact CG-CD1 4.23Å; L181-I185 VanDerWaalsContact O-CG1 3.26Å; L181-I185 WeakPolarHBondContact O-CG1 2.83Å; L181-I185 PolarHBondContact O-N 2.95Å
182A88.5Confident86.1Confident0 Ų045.9 Ų45.90%024%0.241CC..Hα-helixtrans-60.2-46.6174.300000111.8A10 V13 A14 F142 L178 A179 I185 L186A10-A182 WeakPolarHBondContact O-CB 3.25Å; V13-A182 HydrophobicContact CB-CB 4.21Å; V13-A182 HydrophobicContact CG1-CB 3.98Å; A14-A182 HydrophobicContact CB-CB 3.86Å; F142-A182 HydrophobicContact CD2-CB 4.24Å; L178-A182 WeakPolarHBondContact O-CB 3.48Å; L178-A182 PolarHBondContact O-N 3.33Å; A179-A182 PolarHBondContact O-N 3.5Å; A182-I185 PolarHBondContact O-N 3.27Å; A182-L186 WeakPolarHBondContact O-CG 3.32Å; A182-L186 PolarHBondContact O-N 2.88Å
183A88.3Confident85.2Confident0 Ų050 Ų500%026%0.257CS..Hα-helixtrans-62.6-44176.800000111.8F142 Q143 A179 T180 I185 L186 I187F142-A183 HydrophobicContact CB-CB 4.1Å; Q143-A183 HydrophobicContact CB-CB 4.21Å; A179-A183 PolarHBondContact O-N 3.13Å; T180-A183 PolarHBondContact O-N 2.86Å; A183-I185 PolarHBondContact O-N 3.02Å; A183-L186 PolarHBondContact O-N 3.45Å; A183-I187 WeakPolarHBondContact O-CB 3.35Å; A183-I187 VanDerWaalsContact O-CG1 3.25Å; A183-I187 WeakPolarHBondContact O-CG1 3.28Å; A183-I187 PolarHBondContact O-N 3.3Å
184A88.4Confident84.2Confident51 Ų5155.9 Ų55.942%0.42128%0.275SS..Hα-helixtrans-62.2-41.5178.300000112.5T180 L181 L186 I187 W188T180-A184 VanDerWaalsContact O-CB 3.29Å; T180-A184 WeakPolarHBondContact O-CB 3.49Å; T180-A184 PolarHBondContact O-N 2.91Å; L181-A184 PolarHBondContact O-N 3.39Å; A184-L186 VanDerWaalsContact C-N 3.34Å; A184-L186 PolarHBondContact O-N 3.14Å; A184-I187 PolarHBondContact O-N 3.41Å; A184-W188 WeakPolarHBondContact O-CB 3.39Å; A184-W188 PolarHBondContact O-N 2.87Å
185I87.4Confident82.9Confident45 Ų4560 Ų6023%0.23129%0.288CS..Hα-helixtrans-61.2-43.5175.8-68.6166.9000110.8L6 A10 L181 A182 A183 N189L6-I185 HydrophobicContact CD2-CG2 4.49Å; A10-I185 HydrophobicContact CB-CB 4.1Å; A10-I185 HydrophobicContact CB-CG2 3.88Å; L181-I185 HydrophobicContact CD2-CD1 3.48Å; L181-I185 VanDerWaalsContact CD2-CD1 3.48Å; L181-I185 HydrophobicContact CD2-CG1 4.4Å; L181-I185 HydrophobicContact CG-CD1 4.23Å; L181-I185 VanDerWaalsContact O-CG1 3.26Å; L181-I185 WeakPolarHBondContact O-CG1 2.83Å; L181-I185 PolarHBondContact O-N 2.95Å; A182-I185 PolarHBondContact O-N 3.27Å; A183-I185 PolarHBondContact O-N 3.02Å; I185-N189 WeakPolarHBondContact O-CB 3.31Å; I185-N189 PolarHBondContact O-N 2.88Å
186L84.9Confident81.4Confident3 Ų365 Ų652%0.01632%0.315CS..Hα-helixtrans-68.7-45179.4-68.7177.4000112.3V7 A10 I138 A139 F142 A182 A183 A184 W188 N189 I190V7-L186 HydrophobicContact CB-CD2 4.3Å; V7-L186 HydrophobicContact CG1-CD2 4.06Å; V7-L186 HydrophobicContact CG2-CD2 4.12Å; A10-L186 HydrophobicContact CB-CD1 4.44Å; A10-L186 HydrophobicContact CB-CD2 3.76Å; A10-L186 HydrophobicContact CB-CG 3.75Å; I138-L186 HydrophobicContact CB-CD1 4.28Å; I138-L186 HydrophobicContact CG2-CD1 3.54Å; A139-L186 HydrophobicContact CB-CB 3.93Å; A139-L186 HydrophobicContact CB-CD1 4.42Å; F142-L186 HydrophobicContact CD2-CD1 3.55Å; F142-L186 HydrophobicContact CE2-CD1 3.82Å; A182-L186 WeakPolarHBondContact O-CG 3.32Å; A182-L186 PolarHBondContact O-N 2.88Å; A183-L186 PolarHBondContact O-N 3.45Å; A184-L186 VanDerWaalsContact C-N 3.34Å; A184-L186 PolarHBondContact O-N 3.14Å; L186-W188 VanDerWaalsContact C-N 3.3Å; L186-W188 PolarHBondContact O-N 2.93Å; L186-N189 WeakPolarHBondContact O-CB 3.16Å; L186-N189 PolarHBondContact O-N 3.48Å; L186-I190 VanDerWaalsContact O-CG1 3.29Å; L186-I190 WeakPolarHBondContact O-CG1 3.25Å; L186-I190 PolarHBondContact O-N 2.77Å
187I85.3Confident79.9Confident79 Ų7967.1 Ų67.141%0.40533%0.329SS..Hα-helixtrans-60.7-43.6176.6-67.3165.5000110.1A139 A183 A184 N189 I190 L191A139-I187 HydrophobicContact CB-CG1 4.3Å; A183-I187 WeakPolarHBondContact O-CB 3.35Å; A183-I187 VanDerWaalsContact O-CG1 3.25Å; A183-I187 WeakPolarHBondContact O-CG1 3.28Å; A183-I187 PolarHBondContact O-N 3.3Å; A184-I187 PolarHBondContact O-N 3.41Å; I187-N189 VanDerWaalsContact C-N 3.34Å; I187-N189 PolarHBondContact O-N 3.3Å; I187-I190 PolarHBondContact O-N 3.1Å; I187-L191 WeakPolarHBondContact O-CB 3.18Å; I187-L191 PolarHBondContact O-N 3.41Å
188W85.8Confident77.9Confident171 Ų17168.6 Ų68.665%0.64834%0.335SS*.Hα-helixtrans-59.3-46.1175.1-178.9-88.7000111.5A184 L186 I190 L191 H192A184-W188 WeakPolarHBondContact O-CB 3.39Å; A184-W188 PolarHBondContact O-N 2.87Å; L186-W188 VanDerWaalsContact C-N 3.3Å; L186-W188 PolarHBondContact O-N 2.93Å; W188-I190 PolarHBondContact O-N 3.1Å; W188-L191 PolarHBondContact O-N 2.96Å; W188-H192 WeakPolarHBondContact O-CB 3.46Å; W188-H192 PolarHBondContact O-N 3.34Å
189N83.8Confident75.7Confident12 Ų1269.1 Ų69.16%0.06435%0.346CS..Hα-helixtrans-60.4-43.8178.1-175.467.2000112I185 L186 I187 R193I185-N189 WeakPolarHBondContact O-CB 3.31Å; I185-N189 PolarHBondContact O-N 2.88Å; L186-N189 WeakPolarHBondContact O-CB 3.16Å; L186-N189 PolarHBondContact O-N 3.48Å; I187-N189 VanDerWaalsContact C-N 3.34Å; I187-N189 PolarHBondContact O-N 3.3Å; N189-R193 WeakPolarHBondContact O-CB 3.31Å; N189-R193 PolarHBondContact O-N 2.77Å
190I79.3Confident73.4Confident32 Ų3274.7 Ų74.716%0.16438%0.382CS..Hα-helixtrans-64.6-44.6177.2-65.6161.8000110.7E136 A139 L186 I187 W188 R194E136-I190 HydrophobicContact CG-CD1 4.17Å; E136-I190 HydrophobicContact CG-CG2 4.49Å; A139-I190 HydrophobicContact CB-CD1 3.88Å; L186-I190 VanDerWaalsContact O-CG1 3.29Å; L186-I190 WeakPolarHBondContact O-CG1 3.25Å; L186-I190 PolarHBondContact O-N 2.77Å; I187-I190 PolarHBondContact O-N 3.1Å; W188-I190 PolarHBondContact O-N 3.1Å; I190-R194 WeakPolarHBondContact O-CB 3.27Å; I190-R194 PolarHBondContact O-N 3.1Å; I190-R194 VanDerWaalsContact O-N 3.08Å
191L78.3Confident71.3Confident86 Ų8681.9 Ų81.945%0.4540%0.403SS..Hα-helixtrans-65.7-47.8-178.7-172.468.4000111.5I187 W188 R193 R194 E195I187-L191 WeakPolarHBondContact O-CB 3.18Å; I187-L191 PolarHBondContact O-N 3.41Å; W188-L191 PolarHBondContact O-N 2.96Å; L191-R193 PolarHBondContact O-N 3.26Å; L191-R194 WeakPolarHBondContact O-CB 3.2Å; L191-R194 PolarHBondContact O-N 3.3Å; L191-R194 VanDerWaalsContact O-N 3.12Å; L191-E195 PolarHBondContact O-N 2.84Å
192H73.9Confident69.2Low87 Ų8783.7 Ų83.740%0.40342%0.418SS..Hα-helixtrans-67.3-38.4-178-158.853000111.7W188 R194 E195 D196W188-H192 WeakPolarHBondContact O-CB 3.46Å; W188-H192 PolarHBondContact O-N 3.34Å; H192-R194 VanDerWaalsContact C-N 3.27Å; H192-R194 PolarHBondContact O-N 3.46Å; H192-E195 IonicContact ND1-OE2 3.73Å; H192-E195 PolarHBondContact ND1-OE2 3.4Å; H192-E195 WeakPolarHBondContact O-CB 3.31Å; H192-E195 PolarHBondContact O-N 3.05Å; H192-E195 VanDerWaalsContact O-N 3.15Å; H192-D196 PolarHBondContact O-N 3.26Å
193R67Low67.1Low88 Ų8890.5 Ų90.533%0.33245%0.452SS..Hα-helixtrans-61.9-35.1172.6-166.1177.1-174.4-171.4-1.8112E135 N189 L191 D196 C197E135-R193 IonicContact OE1-NH1 3.61Å; E135-R193 IonicContact OE2-NH1 3.57Å; N189-R193 WeakPolarHBondContact O-CB 3.31Å; N189-R193 PolarHBondContact O-N 2.77Å; L191-R193 PolarHBondContact O-N 3.26Å; R193-D196 PolarHBondContact O-N 3.01Å; R193-C197 PolarHBondContact O-N 3.25Å; R193-C197 PolarHBondContact O-SG 2.7Å
194R64.4Low65.1Low178 Ų17896.3 Ų96.367%0.67249%0.488SS*.Hα-helixtrans-68.5-35.8174.9-166.2-177.6-168.1-1765.8112.5I190 L191 H192 C197 M198I190-R194 WeakPolarHBondContact O-CB 3.27Å; I190-R194 PolarHBondContact O-N 3.1Å; I190-R194 VanDerWaalsContact O-N 3.08Å; L191-R194 WeakPolarHBondContact O-CB 3.2Å; L191-R194 PolarHBondContact O-N 3.3Å; L191-R194 VanDerWaalsContact O-N 3.12Å; H192-R194 VanDerWaalsContact C-N 3.27Å; H192-R194 PolarHBondContact O-N 3.46Å; R194-C197 PolarHBondContact O-N 3.37Å; R194-M198 VanDerWaalsContact O-CG 3.28Å; R194-M198 WeakPolarHBondContact O-CG 3.37Å; R194-M198 PolarHBondContact O-N 2.82Å
195E59.2Low63.1Low109 Ų109100.4 Ų100.451%0.50950%0.501SS..Hα-helixtrans-67-40.7175.3-69.6177.2170.300111.7L191 H192 C197 M198 A199L191-E195 PolarHBondContact O-N 2.84Å; H192-E195 IonicContact ND1-OE2 3.73Å; H192-E195 PolarHBondContact ND1-OE2 3.4Å; H192-E195 WeakPolarHBondContact O-CB 3.31Å; H192-E195 PolarHBondContact O-N 3.05Å; H192-E195 VanDerWaalsContact O-N 3.15Å; E195-C197 VanDerWaalsContact C-N 3.25Å; E195-C197 PolarHBondContact O-N 3.45Å; E195-M198 PolarHBondContact O-N 2.95Å; E195-A199 PolarHBondContact O-N 3.15Å; E195-A199 VanDerWaalsContact O-N 3.13Å
196D56.8Low61Low106 Ų106102.5 Ų102.557%0.56752%0.52SS*.Hα-helixtrans-60-36.1173.9-69.6-33000111.8H192 R193 M198H192-D196 PolarHBondContact O-N 3.26Å; R193-D196 PolarHBondContact O-N 3.01Å; D196-M198 VanDerWaalsContact C-N 3.3Å; D196-M198 PolarHBondContact O-N 3.41Å
197C56.5Low59Low55 Ų55112.9 Ų112.937%0.37256%0.559SS.*THydrogen-bonded Turntrans-76-12.4174.7-63.10000114.4R193 R194 E195R193-C197 PolarHBondContact O-N 3.25Å; R193-C197 PolarHBondContact O-SG 2.7Å; R194-C197 PolarHBondContact O-N 3.37Å; E195-C197 VanDerWaalsContact C-N 3.25Å; E195-C197 PolarHBondContact O-N 3.45Å
198M48.5Very low56.9Low148 Ų148114.9 Ų114.973%0.72958%0.575SS**THydrogen-bonded Turntrans-101.4-8.6178.4-70.4-76.3-86.300112.8R194 E195 D196R194-M198 VanDerWaalsContact O-CG 3.28Å; R194-M198 WeakPolarHBondContact O-CG 3.37Å; R194-M198 PolarHBondContact O-N 2.82Å; E195-M198 PolarHBondContact O-N 2.95Å; D196-M198 VanDerWaalsContact C-N 3.3Å; D196-M198 PolarHBondContact O-N 3.41Å
199A44.1Very low55.1Low59 Ų59113.2 Ų113.249%0.48858%0.578SS.*SBendtrans-56.5139.9166.400000109.4E195 R201E195-A199 PolarHBondContact O-N 3.15Å; E195-A199 VanDerWaalsContact O-N 3.13Å; A199-R201 PolarHBondContact O-N 2.95Å
200P41.2Very low53.2Low118 Ų118119.2 Ų119.277%0.76662%0.615SS**  trans-53.5118.9-156.919.8-31.4000111.2V202P200-V202 VanDerWaalsContact C-N 3.34Å; P200-V202 PolarHBondContact O-N 3.21Å
201R45.4Very low51.3Low206 Ų206122.5 Ų122.578%0.77765%0.647SS**  trans-53.297.4173.8-64.1-176.2-179.2-162.8-2.6108.1A199 I203A199-R201 PolarHBondContact O-N 2.95Å; R201-I203 PolarHBondContact O-N 3.47Å
202V45.8Very low49.5Very low125 Ų125130 Ų13076%0.75867%0.67SS**  trans-7195.1167.1-174.10000104.7P200 V204P200-V202 VanDerWaalsContact C-N 3.34Å; P200-V202 PolarHBondContact O-N 3.21Å; V202-V204 HydrophobicContact CG1-CG2 4.18Å; V202-V204 PolarHBondContact O-N 3.25Å
203I44.9Very low48.3Very low142 Ų142136.4 Ų136.473%0.72870%0.697SS**  trans-62.295.1169.1-57.6170.5000105.4R201 I205R201-I203 PolarHBondContact O-N 3.47Å; I203-I205 VanDerWaalsContact C-N 3.28Å; I203-I205 HydrophobicContact CG2-CG1 4.06Å; I203-I205 PolarHBondContact O-N 3.39Å
204V46.5Very low46.9Very low122 Ų122143.5 Ų143.574%0.73972%0.724SS**  trans-75.890.6172.2-172.80000106.1V202 S206V202-V204 HydrophobicContact CG1-CG2 4.18Å; V202-V204 PolarHBondContact O-N 3.25Å; V204-S206 PolarHBondContact O-N 3.42Å
205I46.3Very low45.9Very low137 Ų137147.7 Ų147.770%0.70374%0.739SS**  trans-63.1103.6164-61172.7000105.5I203 R207I203-I205 VanDerWaalsContact C-N 3.28Å; I203-I205 HydrophobicContact CG2-CG1 4.06Å; I203-I205 PolarHBondContact O-N 3.39Å; I205-R207 PolarHBondContact O-N 3.33Å
206S43.8Very low45.1Very low90 Ų90145.3 Ų145.363%0.62974%0.744SS**  trans-63.7103.4169.175.90000106.9V204 T208V204-S206 PolarHBondContact O-N 3.42Å; S206-T208 PolarHBondContact O-N 2.83Å
207R41.8Very low44.5Very low220 Ų220147.7 Ų147.783%0.8376%0.756SS**  trans-80.776.5172.5-146.9-179.1-159.3-178.45.9106.2I205 L209I205-R207 PolarHBondContact O-N 3.33Å; R207-L209 PolarHBondContact O-N 3.43Å
208T42.7Very low43.7Very low121 Ų121153.4 Ų153.474%0.74278%0.778SS**  trans-64.886.3162.246.90000107.2S206 T210S206-T208 PolarHBondContact O-N 2.83Å; T208-T210 PolarHBondContact O-N 3.35Å
209L46.3Very low43.5Very low137 Ų137150.6 Ų150.672%0.71777%0.765SS**  trans-54.2129.2160.3-98.8119.1000107.1R207R207-L209 PolarHBondContact O-N 3.43Å
210T45.2Very low43.5Very low137 Ų137154.5 Ų154.584%0.8478%0.778SS**  trans86.678.3175.173.40000117.4T208T208-T210 PolarHBondContact O-N 3.35Å
211A39.6Very low43.5Very low102 Ų102157.9 Ų157.984%0.84378%0.777SS**  trans-167.8144132.600000111.4
212R39.9Very low43.4Very low243 Ų243153.8 Ų153.892%0.91778%0.775SS**  trans-41.8138.2-173.7-83.3168.2174.9167.8-1.3115.6R214R212-R214 PolarHBondContact O-N 3.38Å
213F47.6Very low43.4Very low221 Ų221155.8 Ų155.897%0.96978%0.775SS**  trans-25105.3156-95.9-91.5000113.2
214R38.3Very low43Very low238 Ų238153.2 Ų153.290%0.89877%0.77SS**  trans-127125.1158.8-128.8-178.9-170.8-172.92.2108.5R212 G216R212-R214 PolarHBondContact O-N 3.38Å; R214-G216 PolarHBondContact O-N 3.21Å; R214-G216 VanDerWaalsContact O-N 3.15Å
215R42.8Very low42.8Very low265 Ų265153.4 Ų153.4100%177%0.774SS**  trans-66.4102.7173.2-114.9176.3176.6140.6-3.5108
216G42.8Very low42.7Very low60 Ų60153.3 Ų153.362%0.61978%0.784SS**  trans179.493.617500000106.8R214 E218R214-G216 PolarHBondContact O-N 3.21Å; R214-G216 VanDerWaalsContact O-N 3.15Å; G216-E218 PolarHBondContact O-N 2.91Å
217L43.9Very low42.6Very low156 Ų156156.5 Ų156.582%0.81779%0.792SS**  trans-76.163.3179.9-160.3103.2000108.8N219L217-N219 PolarHBondContact O-N 3.19Å; L217-N219 VanDerWaalsContact O-N 3.11Å
218E39.9Very low42.7Very low175 Ų175153.2 Ų153.282%0.81879%0.79SS**  trans-78.486.9160.9-81.8176.5154.600105.8G216 D220G216-E218 PolarHBondContact O-N 2.91Å; E218-D220 PolarHBondContact O-N 3.47Å
219N44.1Very low42.7Very low88 Ų88154.9 Ų154.947%0.47179%0.792SS.*  trans-60.599158-78.9-18000105.5L217 Y221L217-N219 PolarHBondContact O-N 3.19Å; L217-N219 VanDerWaalsContact O-N 3.11Å; N219-Y221 HydrophobicContact CB-CD2 3.8Å; N219-Y221 HydrophobicContact CB-CE2 3.4Å; N219-Y221 PolarHBondContact ND2-OH 3.16Å; N219-Y221 WeakPolarHBondContact O-CD2 3.3Å; N219-Y221 PolarHBondContact O-N 3.37Å
220D43.7Very low42.4Very low141 Ų141156 Ų15675%0.75480%0.797SS**  trans-63.687163.1-82.1-28.7000106.8E218 V222E218-D220 PolarHBondContact O-N 3.47Å; D220-V222 HydrophobicContact CB-CG2 4.3Å; D220-V222 PolarHBondContact O-N 3.38Å
221Y41.8Very low42.3Very low190 Ų190157.2 Ų157.275%0.74579%0.794SS**  trans-6879.8162.9-67.8-81.6000106.2N219 E223N219-Y221 HydrophobicContact CB-CD2 3.8Å; N219-Y221 HydrophobicContact CB-CE2 3.4Å; N219-Y221 PolarHBondContact ND2-OH 3.16Å; N219-Y221 WeakPolarHBondContact O-CD2 3.3Å; N219-Y221 PolarHBondContact O-N 3.37Å; Y221-E223 PolarHBondContact O-N 3.35Å
222V44.2Very low42.5Very low120 Ų120160.9 Ų160.973%0.72779%0.791SS**  trans-70.890.6163.5-175.20000105.1D220 S224D220-V222 HydrophobicContact CB-CG2 4.3Å; D220-V222 PolarHBondContact O-N 3.38Å; V222-S224 PolarHBondContact O-N 2.85Å
223E44.8Very low42.6Very low166 Ų166155 Ų15578%0.77678%0.782SS**  trans-57.6108.6159.1-73.8177.7158.200105.6Y221 P225Y221-E223 PolarHBondContact O-N 3.35Å; E223-P225 WeakPolarHBondContact O-CD 3.27Å
224S37.1Very low42.3Very low89 Ų89149.9 Ų149.962%0.62277%0.767SS**  trans-56.2122.9171.249.90000107.4V222 C226V222-S224 PolarHBondContact O-N 2.85Å; S224-C226 PolarHBondContact O-N 3.01Å
225P41.9Very low42.6Very low126 Ų126142.6 Ų142.682%0.81876%0.757SS**  trans-61.6125.6177.425-31000107.9E223E223-P225 WeakPolarHBondContact O-CD 3.27Å
226C44Very low42.6Very low135 Ų135131.5 Ų131.591%0.91273%0.734SS**  trans-85.50165-61.20000109S224S224-C226 PolarHBondContact O-N 3.01Å

Retrieved 226 of 226 residues in 1489.7 ms (Link to these results)

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