A0A077Z5F0_TRITR Loading...

Tetraspanin

AlphaFold DB , UniProt , Accession A0A077Z5F0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 233 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
1M60.4Low76.1Confident210 Ų21092.3 Ų92.3100%1.03448%0.482SS*.  0-43.60-76.6175.8-174.200113.6R5M1-R5 PolarHBondContact O-N 3.05Å
2S67.3Low77.1Confident103 Ų10384.8 Ų84.872%0.7244%0.443SS*.Hα-helixtrans-59.9-45.6179172.50000114.3A4 R5 C6S2-A4 PolarHBondContact O-N 2.97Å; S2-R5 PolarHBondContact O-N 2.7Å; S2-C6 PolarHBondContact O-N 3.36Å; S2-C6 VanDerWaalsContact O-N 3.12Å
3F71.1Confident78.2Confident169 Ų16978.8 Ų78.874%0.74142%0.415SS*.Hα-helixtrans-59.7-48.5-178.4-174.3-100000113.3R5 C6 T7F3-R5 VanDerWaalsContact C-N 3.31Å; F3-R5 PolarHBondContact O-N 2.8Å; F3-C6 WeakPolarHBondContact O-CB 3.45Å; F3-C6 PolarHBondContact O-N 3.2Å; F3-C6 VanDerWaalsContact O-N 3.15Å; F3-T7 HydrophobicContact CD1-CG2 4.39Å; F3-T7 HydrophobicContact CE1-CG2 4Å; F3-T7 HydrophobicContact CZ-CG2 4.16Å; F3-T7 PolarHBondContact O-N 3.11Å; F3-T7 PolarHBondContact O-OG1 3.41Å
4A70.8Confident79.2Confident48 Ų4882.3 Ų82.340%0.39743%0.432SS..Hα-helixtrans-60.9-38.2178.600000112.7S2 C6 T7 T8S2-A4 PolarHBondContact O-N 2.97Å; A4-C6 VanDerWaalsContact C-N 3.34Å; A4-C6 PolarHBondContact O-N 3.11Å; A4-T7 WeakPolarHBondContact CA-OG1 3.21Å; A4-T7 PolarHBondContact O-N 3.44Å; A4-T7 PolarHBondContact O-OG1 3.45Å; A4-T8 PolarHBondContact O-N 3.3Å; A4-T8 VanDerWaalsContact O-N 3.09Å; A4-T8 PolarHBondContact O-OG1 3Å
5R72.1Confident80.1Confident116 Ų11677.5 Ų77.544%0.43841%0.407SS..Hα-helixtrans-66.8-36.4177-169.6-177.8-71.2-168.69.3112.1M1 S2 F3 K9 E77M1-R5 PolarHBondContact O-N 3.05Å; S2-R5 PolarHBondContact O-N 2.7Å; F3-R5 VanDerWaalsContact C-N 3.31Å; F3-R5 PolarHBondContact O-N 2.8Å; R5-K9 WeakPolarHBondContact O-CG 3.42Å; R5-K9 PolarHBondContact O-N 3.37Å; R5-K9 VanDerWaalsContact O-N 3.16Å; R5-E77 WeakPolarHBondContact CD-OE1 2.93Å; R5-E77 IonicContact CZ-OE1 2.89Å; R5-E77 VanDerWaalsContact CZ-OE1 3.29Å; R5-E77 IonicContact NE-OE1 3.74Å; R5-E77 PolarHBondContact NE-OE1 2.87Å; R5-E77 IonicContact NH1-OE1 2.7Å; R5-E77 PolarHBondContact NH1-OE1 3.17Å; R5-E77 IonicContact NH1-OE2 3.8Å
6C77.9Confident81Confident72 Ų7272.7 Ų72.749%0.48638%0.382SS..Hα-helixtrans-67.4-44.3176.8-164.40000111.5S2 F3 A4 T8 K9 M10S2-C6 PolarHBondContact O-N 3.36Å; S2-C6 VanDerWaalsContact O-N 3.12Å; F3-C6 WeakPolarHBondContact O-CB 3.45Å; F3-C6 PolarHBondContact O-N 3.2Å; F3-C6 VanDerWaalsContact O-N 3.15Å; A4-C6 VanDerWaalsContact C-N 3.34Å; A4-C6 PolarHBondContact O-N 3.11Å; C6-T8 PolarHBondContact O-N 2.89Å; C6-K9 PolarHBondContact O-N 3.02Å; C6-M10 PolarHBondContact O-N 3.26Å
7T80.8Confident81.9Confident58 Ų5871.3 Ų71.336%0.35638%0.383SS..Hα-helixtrans-62.8-43.4177.948.80000112.1F3 A4 M10 F11F3-T7 HydrophobicContact CD1-CG2 4.39Å; F3-T7 HydrophobicContact CE1-CG2 4Å; F3-T7 HydrophobicContact CZ-CG2 4.16Å; F3-T7 PolarHBondContact O-N 3.11Å; F3-T7 PolarHBondContact O-OG1 3.41Å; A4-T7 WeakPolarHBondContact CA-OG1 3.21Å; A4-T7 PolarHBondContact O-N 3.44Å; A4-T7 PolarHBondContact O-OG1 3.45Å; T7-M10 PolarHBondContact O-N 3.45Å; T7-F11 WeakPolarHBondContact O-CB 3.3Å; T7-F11 PolarHBondContact O-N 3.07Å
8T80.2Confident82.6Confident14 Ų1472.7 Ų72.79%0.08639%0.385CS..Hα-helixtrans-62.1-45.2176.6-51.30000111.3A4 C6 M10 F11 L12 L226A4-T8 PolarHBondContact O-N 3.3Å; A4-T8 VanDerWaalsContact O-N 3.09Å; A4-T8 PolarHBondContact O-OG1 3Å; C6-T8 PolarHBondContact O-N 2.89Å; T8-M10 PolarHBondContact O-N 3.13Å; T8-F11 PolarHBondContact O-N 3.44Å; T8-L12 HydrophobicContact CG2-CD1 4.15Å; T8-L12 HydrophobicContact CG2-CG 4.4Å; T8-L12 VanDerWaalsContact O-CG 3.31Å; T8-L12 WeakPolarHBondContact O-CG 3.19Å; T8-L12 PolarHBondContact O-N 3.48Å; T8-L226 HydrophobicContact CG2-CD1 4.2Å
9K81.9Confident83.3Confident54 Ų5468.8 Ų68.824%0.23537%0.365CS..Hα-helixtrans-62.9-44178.8-75.9-175.5-177.9-178.40113R5 C6 F11 L12 G13 E77R5-K9 WeakPolarHBondContact O-CG 3.42Å; R5-K9 PolarHBondContact O-N 3.37Å; R5-K9 VanDerWaalsContact O-N 3.16Å; C6-K9 PolarHBondContact O-N 3.02Å; K9-F11 VanDerWaalsContact C-N 3.3Å; K9-F11 PolarHBondContact O-N 3.5Å; K9-L12 PolarHBondContact O-N 3.15Å; K9-G13 PolarHBondContact O-N 3.38Å; K9-E77 WeakPolarHBondContact CE-OE2 3.34Å; K9-E77 IonicContact NZ-OE2 3.37Å; K9-E77 PolarHBondContact NZ-OE2 3.05Å
10M86.2Confident84.1Confident106 Ų10667.2 Ų67.252%0.52236%0.356SS..Hα-helixtrans-60.4-43.8175.6-74.4-161-44.800111.1C6 T7 T8 G13 L14C6-M10 PolarHBondContact O-N 3.26Å; T7-M10 PolarHBondContact O-N 3.45Å; T8-M10 PolarHBondContact O-N 3.13Å; M10-G13 PolarHBondContact O-N 3.37Å; M10-L14 VanDerWaalsContact O-CG 3.32Å; M10-L14 WeakPolarHBondContact O-CG 3.45Å; M10-L14 PolarHBondContact O-N 3.31Å
11F88.2Confident84.7Confident65 Ų6566.8 Ų66.829%0.28536%0.363SS..Hα-helixtrans-62.3-46.3179178.2-101.1000112.3T7 T8 K9 G13 L14 L15 I218 Y221 P222T7-F11 WeakPolarHBondContact O-CB 3.3Å; T7-F11 PolarHBondContact O-N 3.07Å; T8-F11 PolarHBondContact O-N 3.44Å; K9-F11 VanDerWaalsContact C-N 3.3Å; K9-F11 PolarHBondContact O-N 3.5Å; F11-G13 VanDerWaalsContact C-N 3.31Å; F11-G13 PolarHBondContact O-N 3.47Å; F11-L14 PolarHBondContact O-N 2.93Å; F11-L15 WeakPolarHBondContact O-CB 3.22Å; F11-L15 PolarHBondContact O-N 3.05Å; F11-I218 HydrophobicContact CE2-CG2 4.45Å; F11-I218 HydrophobicContact CZ-CG2 4.03Å; F11-Y221 HydrophobicContact CE1-CD1 4Å; F11-Y221 HydrophobicContact CZ-CD1 4.09Å; F11-P222 HydrophobicContact CE1-CB 4.02Å; F11-P222 HydrophobicContact CE1-CG 3.74Å
12L88.6Confident86.4Confident3 Ų358.2 Ų58.22%0.01632%0.323CS..Hα-helixtrans-61.5-39.7175.3-64.8173.3000112T8 K9 L15 G16 L82 F85 P222 L226T8-L12 HydrophobicContact CG2-CD1 4.15Å; T8-L12 HydrophobicContact CG2-CG 4.4Å; T8-L12 VanDerWaalsContact O-CG 3.31Å; T8-L12 WeakPolarHBondContact O-CG 3.19Å; T8-L12 PolarHBondContact O-N 3.48Å; K9-L12 PolarHBondContact O-N 3.15Å; L12-L15 PolarHBondContact O-N 3.12Å; L12-G16 PolarHBondContact O-N 3.28Å; L12-L82 HydrophobicContact CD1-CD1 3.63Å; L12-F85 HydrophobicContact CD2-CD1 3.74Å; L12-F85 HydrophobicContact CD2-CE1 3.45Å; L12-F85 VanDerWaalsContact CD2-CE1 3.45Å; L12-F85 HydrophobicContact CD2-CZ 4.49Å; L12-P222 HydrophobicContact CD2-CB 3.95Å; L12-L226 HydrophobicContact CD1-CD1 4.31Å
13G90.9Very high87.9Confident7 Ų753.3 Ų53.37%0.07229%0.289CS..Hα-helixtrans-63.4-43175.400000112.7K9 M10 F11 G16 A17K9-G13 PolarHBondContact O-N 3.38Å; M10-G13 PolarHBondContact O-N 3.37Å; F11-G13 VanDerWaalsContact C-N 3.31Å; F11-G13 PolarHBondContact O-N 3.47Å; G13-G16 PolarHBondContact O-N 3.05Å; G13-A17 PolarHBondContact O-N 2.97Å
14L92.3Very high89.2Confident127 Ų12750.2 Ų50.267%0.66528%0.279SS*.Hα-helixtrans-64.7-43.4175.8-72.3173.3000111.9M10 F11 G16 A17 F18M10-L14 VanDerWaalsContact O-CG 3.32Å; M10-L14 WeakPolarHBondContact O-CG 3.45Å; M10-L14 PolarHBondContact O-N 3.31Å; F11-L14 PolarHBondContact O-N 2.93Å; L14-G16 VanDerWaalsContact C-N 3.31Å; L14-G16 PolarHBondContact O-N 3.49Å; L14-A17 PolarHBondContact O-N 3.43Å; L14-F18 PolarHBondContact O-N 3.42Å
15L93.1Very high90.4Very high11 Ų1150.2 Ų50.26%0.05828%0.279CS..Hα-helixtrans-63.8-40.1175.5-173.962000111F11 L12 F18 F19 F85 L89 I218 L219 P222F11-L15 WeakPolarHBondContact O-CB 3.22Å; F11-L15 PolarHBondContact O-N 3.05Å; L12-L15 PolarHBondContact O-N 3.12Å; L15-F18 WeakPolarHBondContact O-CB 3.29Å; L15-F18 PolarHBondContact O-N 2.87Å; L15-F19 HydrophobicContact CD1-CD2 4.29Å; L15-F19 HydrophobicContact CD1-CE2 3.77Å; L15-F19 HydrophobicContact CD1-CZ 4.31Å; L15-F19 HydrophobicContact CD2-CE2 4.08Å; L15-F19 HydrophobicContact CG-CD2 3.98Å; L15-F19 HydrophobicContact CG-CE2 3.59Å; L15-F19 WeakPolarHBondContact O-CD2 3.4Å; L15-F19 PolarHBondContact O-N 3Å; L15-F85 HydrophobicContact CB-CZ 4.49Å; L15-F85 HydrophobicContact CD2-CE1 4.1Å; L15-F85 HydrophobicContact CD2-CZ 3.94Å; L15-F85 HydrophobicContact CG-CZ 4.24Å; L15-L89 HydrophobicContact CD2-CD1 4.18Å; L15-L89 HydrophobicContact CD2-CD2 4.01Å; L15-I218 HydrophobicContact CD1-CG2 4.34Å; L15-L219 HydrophobicContact CD1-CD2 4.01Å; L15-L219 HydrophobicContact CD2-CD2 4.26Å; L15-P222 HydrophobicContact CD2-CG 4.17Å
16G94.5Very high91.6Very high0 Ų045.1 Ų45.10%026%0.262CS..Hα-helixtrans-60.1-46.5173.300000112.7L12 G13 L14 F18 F19 L20 G67L12-G16 PolarHBondContact O-N 3.28Å; G13-G16 PolarHBondContact O-N 3.05Å; L14-G16 VanDerWaalsContact C-N 3.31Å; L14-G16 PolarHBondContact O-N 3.49Å; G16-F18 VanDerWaalsContact C-N 3.33Å; G16-F18 PolarHBondContact O-N 3.39Å; G16-F19 PolarHBondContact O-N 3.42Å; G16-L20 WeakPolarHBondContact O-CG 3.35Å; G16-L20 PolarHBondContact O-N 3.37Å; G16-G67 VanDerWaalsContact O-CA 3.25Å; G16-G67 WeakPolarHBondContact O-CA 3.42Å
17A95.4Very high92.6Very high49 Ų4945 Ų4541%0.40525%0.253SS..Hα-helixtrans-62-39.5176.400000112.3G13 L14 L20 A21G13-A17 PolarHBondContact O-N 2.97Å; L14-A17 PolarHBondContact O-N 3.43Å; A17-L20 PolarHBondContact O-N 3.01Å; A17-A21 PolarHBondContact O-N 3.37Å
18F95.3Very high93.3Very high96 Ų9646.9 Ų46.942%0.42126%0.264SS..Hα-helixtrans-60.9-43.8173.4171.5-93.3000112L14 L15 G16 A21 S22 F215L14-F18 PolarHBondContact O-N 3.42Å; L15-F18 WeakPolarHBondContact O-CB 3.29Å; L15-F18 PolarHBondContact O-N 2.87Å; G16-F18 VanDerWaalsContact C-N 3.33Å; G16-F18 PolarHBondContact O-N 3.39Å; F18-A21 PolarHBondContact O-N 3.42Å; F18-S22 WeakPolarHBondContact O-CB 3.34Å; F18-S22 PolarHBondContact O-N 3.35Å; F18-S22 PolarHBondContact O-OG 3.28Å; F18-F215 HydrophobicContact CD1-CE2 4.13Å; F18-F215 HydrophobicContact CE1-CD2 4.38Å; F18-F215 AromaticContact CE1-CE2 3.36Å; F18-F215 HydrophobicContact CE1-CE2 3.36Å; F18-F215 AromaticContact CE1-CZ 3.78Å; F18-F215 HydrophobicContact CE1-CZ 3.78Å; F18-F215 AromaticContact CZ-CE2 3.87Å; F18-F215 HydrophobicContact CZ-CE2 3.87Å; F18-F215 HydrophobicContact CZ-CZ 4.46Å
19F96.5Very high94Very high0 Ų050.6 Ų50.60%028%0.283CS..Hα-helixtrans-65.9-38.8176.3-76.9-57000112.5L15 G16 S22 A23 F63 T66 L89 I92 F215 L219L15-F19 HydrophobicContact CD1-CD2 4.29Å; L15-F19 HydrophobicContact CD1-CE2 3.77Å; L15-F19 HydrophobicContact CD1-CZ 4.31Å; L15-F19 HydrophobicContact CD2-CE2 4.08Å; L15-F19 HydrophobicContact CG-CD2 3.98Å; L15-F19 HydrophobicContact CG-CE2 3.59Å; L15-F19 WeakPolarHBondContact O-CD2 3.4Å; L15-F19 PolarHBondContact O-N 3Å; G16-F19 PolarHBondContact O-N 3.42Å; F19-S22 PolarHBondContact O-N 3.5Å; F19-A23 WeakPolarHBondContact O-CB 3.25Å; F19-A23 PolarHBondContact O-N 3.18Å; F19-F63 HydrophobicContact CB-CB 4.43Å; F19-F63 HydrophobicContact CD1-CB 4.34Å; F19-F63 AromaticContact CD1-CD1 3.7Å; F19-F63 HydrophobicContact CD1-CD1 3.7Å; F19-F63 HydrophobicContact CD1-CD2 4.47Å; F19-F63 HydrophobicContact CD1-CE1 4.06Å; F19-F63 AromaticContact CD1-CG 3.93Å; F19-F63 HydrophobicContact CD1-CG 3.93Å; F19-F63 AromaticContact CE1-CD1 3.95Å; F19-F63 HydrophobicContact CE1-CD1 3.95Å; F19-F63 AromaticContact CE1-CE1 3.88Å; F19-F63 HydrophobicContact CE1-CE1 3.88Å; F19-F63 HydrophobicContact CE1-CZ 4.44Å; F19-T66 HydrophobicContact CD2-CG2 3.88Å; F19-T66 HydrophobicContact CE2-CG2 4.02Å; F19-T66 HydrophobicContact CG-CG2 4.44Å; F19-L89 HydrophobicContact CE2-CD2 3.63Å; F19-L89 HydrophobicContact CZ-CD2 3.99Å; F19-I92 HydrophobicContact CE1-CD1 3.99Å; F19-I92 HydrophobicContact CZ-CD1 3.94Å; F19-F215 HydrophobicContact CE1-CZ 4.23Å; F19-F215 HydrophobicContact CZ-CZ 4.46Å; F19-L219 HydrophobicContact CE2-CD2 4.14Å; F19-L219 HydrophobicContact CZ-CD2 3.57Å
20L97.8Very high94.5Very high35 Ų3548.1 Ų48.118%0.18327%0.272CS..Hα-helixtrans-61.7-45.6173.6-71.2177.4000111.7G16 A17 S22 A23 I24 L64 F68G16-L20 WeakPolarHBondContact O-CG 3.35Å; G16-L20 PolarHBondContact O-N 3.37Å; A17-L20 PolarHBondContact O-N 3.01Å; L20-S22 VanDerWaalsContact C-N 3.3Å; L20-S22 PolarHBondContact O-N 2.93Å; L20-A23 PolarHBondContact O-N 3.43Å; L20-I24 WeakPolarHBondContact O-CG1 3.48Å; L20-I24 PolarHBondContact O-N 2.79Å; L20-L64 HydrophobicContact CD2-CD1 3.94Å; L20-F68 HydrophobicContact CD2-CD2 3.97Å; L20-F68 HydrophobicContact CD2-CE2 4.16Å; L20-F68 HydrophobicContact CD2-CG 4.21Å
21A97.5Very high94.9Very high60 Ų6044.5 Ų44.550%0.49626%0.262SS..Hα-helixtrans-60.3-42.7176.200000111.5A17 F18 I24 A25A17-A21 PolarHBondContact O-N 3.37Å; F18-A21 PolarHBondContact O-N 3.42Å; A21-I24 PolarHBondContact O-N 3.07Å; A21-A25 PolarHBondContact O-N 3.49Å
22S96Very high95Very high30 Ų3049.1 Ų49.121%0.2128%0.279CS..Hα-helixtrans-65.7-38177-58.30000112.4F18 F19 L20 A25 A26F18-S22 WeakPolarHBondContact O-CB 3.34Å; F18-S22 PolarHBondContact O-N 3.35Å; F18-S22 PolarHBondContact O-OG 3.28Å; F19-S22 PolarHBondContact O-N 3.5Å; L20-S22 VanDerWaalsContact C-N 3.3Å; L20-S22 PolarHBondContact O-N 2.93Å; S22-A25 PolarHBondContact O-N 2.86Å; S22-A26 WeakPolarHBondContact O-CB 3.47Å; S22-A26 PolarHBondContact O-N 3.31Å
23A98.2Very high94.9Very high0 Ų050.7 Ų50.70%029%0.288CS..Hα-helixtrans-64.1-45.8175.900000111.7F19 L20 A25 A26 F27 G60 F63 L64F19-A23 WeakPolarHBondContact O-CB 3.25Å; F19-A23 PolarHBondContact O-N 3.18Å; L20-A23 PolarHBondContact O-N 3.43Å; A23-A25 VanDerWaalsContact C-N 3.34Å; A23-A25 PolarHBondContact O-N 2.98Å; A23-A26 PolarHBondContact O-N 3.23Å; A23-F27 HydrophobicContact CB-CE2 4.31Å; A23-F27 WeakPolarHBondContact O-CD2 3.31Å; A23-F27 WeakPolarHBondContact O-CG 3.43Å; A23-F27 PolarHBondContact O-N 2.92Å; A23-G60 WeakPolarHBondContact CB-O 3.4Å; A23-F63 HydrophobicContact CB-CB 3.86Å; A23-L64 HydrophobicContact CB-CB 3.98Å; A23-L64 HydrophobicContact CB-CD1 4.28Å
24I98.1Very high94.7Very high104 Ų10453.2 Ų53.253%0.53330%0.3SS..Hα-helixtrans-59.6-47.6176.4-65.7165000110L20 A21 A26 F27 V28L20-I24 WeakPolarHBondContact O-CG1 3.48Å; L20-I24 PolarHBondContact O-N 2.79Å; A21-I24 PolarHBondContact O-N 3.07Å; I24-A26 VanDerWaalsContact C-N 3.33Å; I24-A26 PolarHBondContact O-N 3.24Å; I24-F27 PolarHBondContact O-N 3.26Å; I24-V28 HydrophobicContact CG2-CG2 4.36Å; I24-V28 VanDerWaalsContact O-CG2 3.31Å; I24-V28 WeakPolarHBondContact O-CG2 3.44Å; I24-V28 PolarHBondContact O-N 3.33Å
25A97.6Very high94.4Very high48 Ų4852.4 Ų52.440%0.39730%0.3SS..Hα-helixtrans-58.9-44.317700000111.9A21 S22 A23 F27 V28 I29A21-A25 PolarHBondContact O-N 3.49Å; S22-A25 PolarHBondContact O-N 2.86Å; A23-A25 VanDerWaalsContact C-N 3.34Å; A23-A25 PolarHBondContact O-N 2.98Å; A25-F27 PolarHBondContact O-N 2.89Å; A25-V28 PolarHBondContact O-N 3.43Å; A25-I29 WeakPolarHBondContact O-CD1 3.27Å; A25-I29 VanDerWaalsContact O-CG1 3.26Å; A25-I29 WeakPolarHBondContact O-CG1 3.42Å; A25-I29 PolarHBondContact O-N 3.28Å
26A97.1Very high93.8Very high9 Ų954.1 Ų54.17%0.07431%0.311CS..Hα-helixtrans-61.5-43.7177.300000112.3S22 A23 I24 I29 S30S22-A26 WeakPolarHBondContact O-CB 3.47Å; S22-A26 PolarHBondContact O-N 3.31Å; A23-A26 PolarHBondContact O-N 3.23Å; I24-A26 VanDerWaalsContact C-N 3.33Å; I24-A26 PolarHBondContact O-N 3.24Å; A26-I29 PolarHBondContact O-N 2.89Å; A26-S30 WeakPolarHBondContact O-CB 3.37Å; A26-S30 PolarHBondContact O-N 2.85Å
27F97.6Very high93Very high68 Ų6855.3 Ų55.330%0.29832%0.315SS..Hα-helixtrans-67.5-38177.3-69.3-49000113A23 I24 A25 G31 T57 G60 I61 L64A23-F27 HydrophobicContact CB-CE2 4.31Å; A23-F27 WeakPolarHBondContact O-CD2 3.31Å; A23-F27 WeakPolarHBondContact O-CG 3.43Å; A23-F27 PolarHBondContact O-N 2.92Å; I24-F27 PolarHBondContact O-N 3.26Å; A25-F27 PolarHBondContact O-N 2.89Å; F27-G31 WeakPolarHBondContact O-CA 3.43Å; F27-G31 PolarHBondContact O-N 3.26Å; F27-T57 HydrophobicContact CD1-CG2 4.37Å; F27-T57 HydrophobicContact CE1-CG2 4.08Å; F27-G60 VanDerWaalsContact CZ-C 3.41Å; F27-I61 HydrophobicContact CE1-CG1 3.97Å; F27-I61 HydrophobicContact CZ-CG1 3.83Å; F27-L64 HydrophobicContact CE2-CB 4.24Å; F27-L64 HydrophobicContact CE2-CD1 4.49Å; F27-L64 HydrophobicContact CE2-CD2 4.09Å; F27-L64 HydrophobicContact CZ-CD2 4.46Å
28V97Very high92.1Very high98 Ų9859.6 Ų59.659%0.59433%0.332SS*.Hα-helixtrans-62.9-48.1175.6170.10000110.5I24 A25 Y32I24-V28 HydrophobicContact CG2-CG2 4.36Å; I24-V28 VanDerWaalsContact O-CG2 3.31Å; I24-V28 WeakPolarHBondContact O-CG2 3.44Å; I24-V28 PolarHBondContact O-N 3.33Å; A25-V28 PolarHBondContact O-N 3.43Å; V28-Y32 WeakPolarHBondContact O-CB 3.41Å; V28-Y32 PolarHBondContact O-N 3.35Å
29I93.9Very high90.8Very high92 Ų9262.6 Ų62.647%0.47235%0.347SS..Hα-helixtrans-64.1-49.1179.3-65.1164.6000110.5A25 A26 Y32 V33A25-I29 WeakPolarHBondContact O-CD1 3.27Å; A25-I29 VanDerWaalsContact O-CG1 3.26Å; A25-I29 WeakPolarHBondContact O-CG1 3.42Å; A25-I29 PolarHBondContact O-N 3.28Å; A26-I29 PolarHBondContact O-N 2.89Å; I29-Y32 PolarHBondContact O-N 3.02Å; I29-V33 WeakPolarHBondContact O-CG2 3.32Å; I29-V33 PolarHBondContact O-N 2.94Å
30S93.6Very high89.2Confident3 Ų367 Ų672%0.02136%0.364CS..Hα-helixtrans-62.3-45.9-179.9176.40000111.9A26 Y32 V33 L34 A53 T57A26-S30 WeakPolarHBondContact O-CB 3.37Å; A26-S30 PolarHBondContact O-N 2.85Å; S30-Y32 PolarHBondContact O-N 3.45Å; S30-V33 PolarHBondContact O-N 3.42Å; S30-L34 WeakPolarHBondContact O-CB 3.1Å; S30-L34 VanDerWaalsContact O-CG 3.32Å; S30-L34 WeakPolarHBondContact O-CG 3.45Å; S30-L34 PolarHBondContact O-N 2.95Å; S30-A53 WeakPolarHBondContact CB-O 3.17Å; S30-A53 PolarHBondContact OG-O 3.46Å; S30-T57 PolarHBondContact OG-OG1 3.33Å
31G92.7Very high87.3Confident29 Ų2973 Ų7330%0.29940%0.396SS..Hα-helixtrans-62-41.7177.400000112.5F27 V33 L34 V35F27-G31 WeakPolarHBondContact O-CA 3.43Å; F27-G31 PolarHBondContact O-N 3.26Å; G31-V33 PolarHBondContact O-N 3.5Å; G31-L34 PolarHBondContact O-N 3.16Å; G31-V35 WeakPolarHBondContact O-CB 3.32Å; G31-V35 WeakPolarHBondContact O-CG2 3.39Å; G31-V35 PolarHBondContact O-N 3.09Å
32Y90.8Very high85.4Confident163 Ų16373.3 Ų73.364%0.63939%0.392SS*.Hα-helixtrans-58.8-48.3173.9179.2-94.8000111.4V28 I29 S30 T36V28-Y32 WeakPolarHBondContact O-CB 3.41Å; V28-Y32 PolarHBondContact O-N 3.35Å; I29-Y32 PolarHBondContact O-N 3.02Å; S30-Y32 PolarHBondContact O-N 3.45Å; Y32-T36 WeakPolarHBondContact O-CB 3.47Å; Y32-T36 PolarHBondContact O-N 3.24Å; Y32-T36 PolarHBondContact O-OG1 3.45Å
33V87Confident83.6Confident35 Ų3580.6 Ų80.621%0.21242%0.42CS..Hα-helixtrans-63.7-46.7177.9178.60000110.7I29 S30 G31 V35 T36 Y37 A53I29-V33 WeakPolarHBondContact O-CG2 3.32Å; I29-V33 PolarHBondContact O-N 2.94Å; S30-V33 PolarHBondContact O-N 3.42Å; G31-V33 PolarHBondContact O-N 3.5Å; V33-V35 PolarHBondContact O-N 2.82Å; V33-T36 CarbonylContact O-C 3.43Å; V33-T36 PolarHBondContact O-N 3.47Å; V33-Y37 HydrophobicContact CG1-CD2 3.7Å; V33-Y37 HydrophobicContact CG1-CE2 4.04Å; V33-Y37 WeakPolarHBondContact O-CB 3.47Å; V33-Y37 VanDerWaalsContact O-CD2 3.28Å; V33-Y37 WeakPolarHBondContact O-CD2 3.31Å; V33-Y37 PolarHBondContact O-N 2.93Å; V33-A53 HydrophobicContact CB-CB 3.92Å; V33-A53 HydrophobicContact CG1-CB 3.69Å
34L87Confident81.6Confident61 Ų6184 Ų8432%0.31944%0.441SS..Hα-helixtrans-59.9-47-179.6-72.5169000112.4S30 G31 T36 Y37 N38 L50 A53S30-L34 WeakPolarHBondContact O-CB 3.1Å; S30-L34 VanDerWaalsContact O-CG 3.32Å; S30-L34 WeakPolarHBondContact O-CG 3.45Å; S30-L34 PolarHBondContact O-N 2.95Å; G31-L34 PolarHBondContact O-N 3.16Å; L34-T36 VanDerWaalsContact C-N 3.34Å; L34-T36 PolarHBondContact O-N 3.36Å; L34-Y37 CarbonylContact O-C 3.33Å; L34-Y37 PolarHBondContact O-N 2.99Å; L34-Y37 VanDerWaalsContact O-N 3.09Å; L34-N38 VanDerWaalsContact O-CB 3.32Å; L34-N38 WeakPolarHBondContact O-CB 3.4Å; L34-N38 PolarHBondContact O-N 2.92Å; L34-L50 HydrophobicContact CD2-CD2 3.69Å; L34-A53 HydrophobicContact CD2-CB 4.23Å; L34-A53 HydrophobicContact CG-CB 4.18Å
35V86.1Confident79.7Confident110 Ų11079.8 Ų79.867%0.66742%0.421SS*.Hα-helixtrans-63.4-44.1176.5172.70000110.6G31 V33 Y37 R130G31-V35 WeakPolarHBondContact O-CB 3.32Å; G31-V35 WeakPolarHBondContact O-CG2 3.39Å; G31-V35 PolarHBondContact O-N 3.09Å; V33-V35 PolarHBondContact O-N 2.82Å; V35-Y37 PolarHBondContact O-N 3.34Å; V35-Y37 VanDerWaalsContact O-N 3.17Å; V35-R130 PolarHBondContact O-NH2 2.99Å
36T80.1Confident78.1Confident46 Ų4678.1 Ų78.128%0.28241%0.407SS..Hα-helixtrans-70.5-3.4176.2-49.10000112.6Y32 V33 L34 R130Y32-T36 WeakPolarHBondContact O-CB 3.47Å; Y32-T36 PolarHBondContact O-N 3.24Å; Y32-T36 PolarHBondContact O-OG1 3.45Å; V33-T36 CarbonylContact O-C 3.43Å; V33-T36 PolarHBondContact O-N 3.47Å; L34-T36 VanDerWaalsContact C-N 3.34Å; L34-T36 PolarHBondContact O-N 3.36Å; T36-R130 VanDerWaalsContact O-CD 3.29Å; T36-R130 WeakPolarHBondContact O-CD 3.37Å; T36-R130 PolarHBondContact O-NE 3.35Å; T36-R130 PolarHBondContact O-NH1 2.95Å; T36-R130 PolarHBondContact O-NH2 2.72Å
37Y78.1Confident76.9Confident26 Ų2681.1 Ų81.110%0.10242%0.419CS..Hα-helixtrans-121.5-15175.3-84.3-88.8000114.4V33 L34 V35 H39 A49 R130 Q134V33-Y37 HydrophobicContact CG1-CD2 3.7Å; V33-Y37 HydrophobicContact CG1-CE2 4.04Å; V33-Y37 WeakPolarHBondContact O-CB 3.47Å; V33-Y37 VanDerWaalsContact O-CD2 3.28Å; V33-Y37 WeakPolarHBondContact O-CD2 3.31Å; V33-Y37 PolarHBondContact O-N 2.93Å; L34-Y37 CarbonylContact O-C 3.33Å; L34-Y37 PolarHBondContact O-N 2.99Å; L34-Y37 VanDerWaalsContact O-N 3.09Å; V35-Y37 PolarHBondContact O-N 3.34Å; V35-Y37 VanDerWaalsContact O-N 3.17Å; Y37-H39 VanDerWaalsContact C-N 3.34Å; Y37-H39 PolarHBondContact O-N 3.24Å; Y37-A49 HydrophobicContact CD1-CB 3.81Å; Y37-A49 HydrophobicContact CD2-CB 3.92Å; Y37-A49 HydrophobicContact CE1-CB 3.32Å; Y37-A49 HydrophobicContact CE2-CB 3.43Å; Y37-A49 VanDerWaalsContact CE2-CB 3.43Å; Y37-A49 HydrophobicContact CG-CB 4.04Å; Y37-A49 WeakPolarHBondContact OH-CB 3.46Å; Y37-R130 VanDerWaalsContact CA-CZ 3.49Å; Y37-R130 PolarHBondContact O-NH1 3.41Å; Y37-Q134 PolarHBondContact OH-NE2 2.85Å; Y37-Q134 PolarHBondContact OH-OE1 3.39Å
38N74.9Confident75.7Confident139 Ų13982.8 Ų82.874%0.74342%0.424SS*.Hα-helixtrans-69.3-29.2-179.4-166.435000113.9L34 Y40L34-N38 VanDerWaalsContact O-CB 3.32Å; L34-N38 WeakPolarHBondContact O-CB 3.4Å; L34-N38 PolarHBondContact O-N 2.92Å; N38-Y40 PolarHBondContact O-N 3.47Å
39H68.2Low74.7Confident159 Ų15978.9 Ų78.974%0.73640%0.403SS*.THydrogen-bonded Turntrans-80.7-3.8-172-150.255.6000115.9Y37 R130Y37-H39 VanDerWaalsContact C-N 3.34Å; Y37-H39 PolarHBondContact O-N 3.24Å; H39-R130 VanDerWaalsContact N-NH2 3.2Å
40Y63.3Low74.1Confident93 Ų9376.9 Ų76.937%0.36539%0.393SS..  trans-128.9114.5-170.1-65-138.3000107.6N38 T42 R130N38-Y40 PolarHBondContact O-N 3.47Å; Y40-T42 PolarHBondContact O-N 2.99Å; Y40-T42 VanDerWaalsContact O-N 3.16Å; Y40-R130 HydrophobicContact CD1-CB 3.9Å; Y40-R130 HydrophobicContact CD1-CG 3.63Å; Y40-R130 VanDerWaalsContact CD2-CD 3.41Å; Y40-R130 HydrophobicContact CD2-CG 4.08Å; Y40-R130 HydrophobicContact CE1-CB 3.84Å; Y40-R130 HydrophobicContact CE1-CG 3.4Å; Y40-R130 VanDerWaalsContact CE1-CG 3.4Å; Y40-R130 HydrophobicContact CE2-CG 3.81Å; Y40-R130 HydrophobicContact CG-CG 3.95Å; Y40-R130 VanDerWaalsContact CG-CZ 3.41Å; Y40-R130 VanDerWaalsContact CG-NE 3.29Å; Y40-R130 VanDerWaalsContact CG-NH1 3.33Å; Y40-R130 VanDerWaalsContact CZ-CG 3.43Å
41D57.9Low73.7Confident160 Ų16081.5 Ų81.586%0.85642%0.416SS*.  trans-77.39.4-169.1-68.6-38000114.5F43D41-F43 PolarHBondContact O-N 2.8Å
42T58.9Low73.4Confident67 Ų6782.9 Ų82.941%0.41142%0.42SS..  trans-73.893.4178.124.60000111Y40 T44 S45 A46Y40-T42 PolarHBondContact O-N 2.99Å; Y40-T42 VanDerWaalsContact O-N 3.16Å; T42-T44 PolarHBondContact O-N 2.71Å; T42-S45 WeakPolarHBondContact CB-OG 3.43Å; T42-S45 PolarHBondContact O-N 2.97Å; T42-S45 PolarHBondContact O-OG 3.2Å; T42-S45 PolarHBondContact OG1-OG 3.01Å; T42-A46 WeakPolarHBondContact O-CB 3.24Å; T42-A46 PolarHBondContact O-N 3.32Å; T42-A46 VanDerWaalsContact O-N 3.11Å
43F56.8Low73.4Confident182 Ų18275.2 Ų75.280%0.79839%0.39SS*.Hα-helixtrans-48.1-37-174.8-147.6-93.3000114.4D41 Q47D41-F43 PolarHBondContact O-N 2.8Å; F43-Q47 PolarHBondContact O-N 3.42Å
44T56.9Low73.7Confident72 Ų7277.7 Ų77.744%0.44241%0.405SS..Hα-helixtrans-82.5-33.4-175.119.90000115.1T42 Q47 Y48 K124T42-T44 PolarHBondContact O-N 2.71Å; T44-Q47 WeakPolarHBondContact O-CG 3.31Å; T44-Q47 PolarHBondContact O-NE2 3.43Å; T44-Q47 VanDerWaalsContact O-NE2 3.16Å; T44-Y48 WeakPolarHBondContact O-CD2 3.15Å; T44-Y48 VanDerWaalsContact O-CE2 3.29Å; T44-Y48 WeakPolarHBondContact O-CE2 3.32Å; T44-K124 PolarHBondContact OG1-NZ 3.44Å
45S57.9Low73.9Confident15 Ų1579.9 Ų79.911%0.10542%0.417CS..Hα-helixtrans-84.1-32.4176.637.70000111.4T42 Q47 E131T42-S45 WeakPolarHBondContact CB-OG 3.43Å; T42-S45 PolarHBondContact O-N 2.97Å; T42-S45 PolarHBondContact O-OG 3.2Å; T42-S45 PolarHBondContact OG1-OG 3.01Å; S45-Q47 PolarHBondContact O-N 3.05Å; S45-E131 WeakPolarHBondContact CB-OE1 3.33Å; S45-E131 PolarHBondContact OG-OE1 2.94Å
46A64.8Low74.3Confident14 Ų1479.5 Ų79.512%0.11641%0.406CS..Hα-helixtrans-59.3-47.1175.300000111.9T42 Y48 A49 L50T42-A46 WeakPolarHBondContact O-CB 3.24Å; T42-A46 PolarHBondContact O-N 3.32Å; T42-A46 VanDerWaalsContact O-N 3.11Å; A46-Y48 VanDerWaalsContact C-N 3.32Å; A46-Y48 PolarHBondContact O-N 2.94Å; A46-A49 PolarHBondContact O-N 3.47Å; A46-L50 HydrophobicContact CB-CD1 3.86Å; A46-L50 WeakPolarHBondContact O-CB 3.32Å; A46-L50 WeakPolarHBondContact O-CD1 3.49Å; A46-L50 WeakPolarHBondContact O-CG 3.34Å; A46-L50 PolarHBondContact O-N 3.44Å
47Q71.8Confident75Confident71 Ų7179.2 Ų79.233%0.33241%0.405SS..Hα-helixtrans-56.6-41.9-175.972.6-169.5-32.500113.2F43 T44 S45 A49 L50 I51F43-Q47 PolarHBondContact O-N 3.42Å; T44-Q47 WeakPolarHBondContact O-CG 3.31Å; T44-Q47 PolarHBondContact O-NE2 3.43Å; T44-Q47 VanDerWaalsContact O-NE2 3.16Å; S45-Q47 PolarHBondContact O-N 3.05Å; Q47-A49 VanDerWaalsContact C-N 3.33Å; Q47-A49 PolarHBondContact O-N 3.41Å; Q47-L50 PolarHBondContact O-N 3.43Å; Q47-I51 VanDerWaalsContact O-CD1 3.31Å; Q47-I51 WeakPolarHBondContact O-CD1 3.49Å; Q47-I51 WeakPolarHBondContact O-CG1 3.48Å; Q47-I51 PolarHBondContact O-N 3Å
48Y71Confident75.8Confident103 Ų10384 Ų8440%0.40443%0.426SS..Hα-helixtrans-72.3-27.9-174.1-66.1-63.5000113T44 A46 P52 L113T44-Y48 WeakPolarHBondContact O-CD2 3.15Å; T44-Y48 VanDerWaalsContact O-CE2 3.29Å; T44-Y48 WeakPolarHBondContact O-CE2 3.32Å; A46-Y48 VanDerWaalsContact C-N 3.32Å; A46-Y48 PolarHBondContact O-N 2.94Å; Y48-P52 WeakPolarHBondContact O-CD 3.37Å; Y48-L113 HydrophobicContact CE1-CD1 4.14Å
49A76.5Confident76.8Confident16 Ų1679.9 Ų79.913%0.13241%0.406CS..Hα-helixtrans-89.8-31.3175.600000113.2Y37 A46 Q47 P52 A53Y37-A49 HydrophobicContact CD1-CB 3.81Å; Y37-A49 HydrophobicContact CD2-CB 3.92Å; Y37-A49 HydrophobicContact CE1-CB 3.32Å; Y37-A49 HydrophobicContact CE2-CB 3.43Å; Y37-A49 VanDerWaalsContact CE2-CB 3.43Å; Y37-A49 HydrophobicContact CG-CB 4.04Å; Y37-A49 WeakPolarHBondContact OH-CB 3.46Å; A46-A49 PolarHBondContact O-N 3.47Å; Q47-A49 VanDerWaalsContact C-N 3.33Å; Q47-A49 PolarHBondContact O-N 3.41Å; A49-P52 WeakPolarHBondContact O-CD 3.37Å; A49-A53 PolarHBondContact O-N 3.42Å
50L81.6Confident78.2Confident51 Ų5172.3 Ų72.327%0.26737%0.371SS..Hα-helixtrans-71-36.1178.1-70.7172.6000112L34 A46 Q47 A53 V54L34-L50 HydrophobicContact CD2-CD2 3.69Å; A46-L50 HydrophobicContact CB-CD1 3.86Å; A46-L50 WeakPolarHBondContact O-CB 3.32Å; A46-L50 WeakPolarHBondContact O-CD1 3.49Å; A46-L50 WeakPolarHBondContact O-CG 3.34Å; A46-L50 PolarHBondContact O-N 3.44Å; Q47-L50 PolarHBondContact O-N 3.43Å; L50-A53 WeakPolarHBondContact O-CB 3.33Å; L50-A53 PolarHBondContact O-N 2.93Å; L50-A53 VanDerWaalsContact O-N 3.14Å; L50-V54 WeakPolarHBondContact O-CG2 3.35Å; L50-V54 PolarHBondContact O-N 2.96Å
51I85.5Confident79.8Confident99 Ų9972 Ų7251%0.50837%0.374SS..Hα-helixtrans-55.9-54.9179.2-71.7160.7000111.3Q47 A53 V54 L55Q47-I51 VanDerWaalsContact O-CD1 3.31Å; Q47-I51 WeakPolarHBondContact O-CD1 3.49Å; Q47-I51 WeakPolarHBondContact O-CG1 3.48Å; Q47-I51 PolarHBondContact O-N 3Å; I51-A53 VanDerWaalsContact C-N 3.31Å; I51-A53 PolarHBondContact O-N 3.3Å; I51-V54 PolarHBondContact O-N 3.34Å; I51-L55 HydrophobicContact CG2-CD1 4.26Å; I51-L55 WeakPolarHBondContact O-CG 3.32Å; I51-L55 PolarHBondContact O-N 3.37Å
52P86.9Confident81.6Confident58 Ų5866 Ų6638%0.37734%0.342SS..Hα-helixtrans-56.1-44.1174.2-25.532.7000112.8Y48 A49 V54 L55 F56Y48-P52 WeakPolarHBondContact O-CD 3.37Å; A49-P52 WeakPolarHBondContact O-CD 3.37Å; P52-V54 VanDerWaalsContact C-N 3.35Å; P52-V54 PolarHBondContact O-N 3.03Å; P52-L55 PolarHBondContact O-N 3.25Å; P52-F56 WeakPolarHBondContact O-CD2 3.47Å; P52-F56 PolarHBondContact O-N 2.82Å
53A91Very high83.5Confident3 Ų364.6 Ų64.63%0.02533%0.33CS..Hα-helixtrans-59.9-43.7-176.800000112.6S30 V33 L34 A49 L50 I51 F56 T57S30-A53 WeakPolarHBondContact CB-O 3.17Å; S30-A53 PolarHBondContact OG-O 3.46Å; V33-A53 HydrophobicContact CB-CB 3.92Å; V33-A53 HydrophobicContact CG1-CB 3.69Å; L34-A53 HydrophobicContact CD2-CB 4.23Å; L34-A53 HydrophobicContact CG-CB 4.18Å; A49-A53 PolarHBondContact O-N 3.42Å; L50-A53 WeakPolarHBondContact O-CB 3.33Å; L50-A53 PolarHBondContact O-N 2.93Å; L50-A53 VanDerWaalsContact O-N 3.14Å; I51-A53 VanDerWaalsContact C-N 3.31Å; I51-A53 PolarHBondContact O-N 3.3Å; A53-F56 PolarHBondContact O-N 3.38Å; A53-T57 PolarHBondContact O-N 2.92Å; A53-T57 PolarHBondContact O-OG1 2.96Å
54V91.9Very high85.4Confident86 Ų8658.5 Ų58.552%0.52131%0.306SS..Hα-helixtrans-66-40.6177.6173.90000111.2L50 I51 P52 F56 T57 F58L50-V54 WeakPolarHBondContact O-CG2 3.35Å; L50-V54 PolarHBondContact O-N 2.96Å; I51-V54 PolarHBondContact O-N 3.34Å; P52-V54 VanDerWaalsContact C-N 3.35Å; P52-V54 PolarHBondContact O-N 3.03Å; V54-F56 VanDerWaalsContact C-N 3.35Å; V54-F56 PolarHBondContact O-N 3.29Å; V54-T57 WeakPolarHBondContact O-CB 3.4Å; V54-T57 PolarHBondContact O-N 3.33Å; V54-F58 PolarHBondContact O-N 3.49Å
55L92.8Very high87.3Confident107 Ų10758.7 Ų58.756%0.5631%0.307SS*.Hα-helixtrans-62-42.8174.9-67.3175.5000111.5I51 P52 T57 F58 V59I51-L55 HydrophobicContact CG2-CD1 4.26Å; I51-L55 WeakPolarHBondContact O-CG 3.32Å; I51-L55 PolarHBondContact O-N 3.37Å; P52-L55 PolarHBondContact O-N 3.25Å; L55-T57 VanDerWaalsContact C-N 3.3Å; L55-T57 PolarHBondContact O-N 3.43Å; L55-F58 PolarHBondContact O-N 2.93Å; L55-V59 WeakPolarHBondContact O-CG2 3.49Å; L55-V59 PolarHBondContact O-N 3.43Å
56F93.3Very high89.1Confident103 Ų10358.1 Ų58.145%0.45230%0.302SS..Hα-helixtrans-61.6-37174.2-85.6-74.9000112.3P52 A53 V54 G60P52-F56 WeakPolarHBondContact O-CD2 3.47Å; P52-F56 PolarHBondContact O-N 2.82Å; A53-F56 PolarHBondContact O-N 3.38Å; V54-F56 VanDerWaalsContact C-N 3.35Å; V54-F56 PolarHBondContact O-N 3.29Å; F56-G60 PolarHBondContact O-N 2.92Å
57T95.4Very high90.5Very high40 Ų4057.4 Ų57.425%0.24530%0.297CS..Hα-helixtrans-60.9-47.5173.7-42.10000111.1F27 S30 A53 V54 L55 G60 I61F27-T57 HydrophobicContact CD1-CG2 4.37Å; F27-T57 HydrophobicContact CE1-CG2 4.08Å; S30-T57 PolarHBondContact OG-OG1 3.33Å; A53-T57 PolarHBondContact O-N 2.92Å; A53-T57 PolarHBondContact O-OG1 2.96Å; V54-T57 WeakPolarHBondContact O-CB 3.4Å; V54-T57 PolarHBondContact O-N 3.33Å; L55-T57 VanDerWaalsContact C-N 3.3Å; L55-T57 PolarHBondContact O-N 3.43Å; T57-G60 PolarHBondContact O-N 3.01Å; T57-I61 HydrophobicContact CG2-CD1 4.47Å; T57-I61 WeakPolarHBondContact O-CG1 3.34Å; T57-I61 PolarHBondContact O-N 2.86Å
58F95.1Very high91.6Very high126 Ų12659.7 Ų59.755%0.55331%0.306SS*.Hα-helixtrans-63-45.7-178.4-175.6-104.1000112V54 L55 G60 I61 I62V54-F58 PolarHBondContact O-N 3.49Å; L55-F58 PolarHBondContact O-N 2.93Å; F58-G60 VanDerWaalsContact C-N 3.3Å; F58-G60 PolarHBondContact O-N 3.4Å; F58-I61 PolarHBondContact O-N 2.92Å; F58-I62 HydrophobicContact CD1-CD1 3.99Å; F58-I62 HydrophobicContact CE1-CD1 3.53Å; F58-I62 HydrophobicContact CZ-CD1 3.99Å; F58-I62 PolarHBondContact O-N 2.94Å
59V95Very high92.7Very high53 Ų5356.4 Ų56.432%0.32130%0.295SS..Hα-helixtrans-61-41174.3173.90000111L55 I61 I62 F63L55-V59 WeakPolarHBondContact O-CG2 3.49Å; L55-V59 PolarHBondContact O-N 3.43Å; V59-I61 VanDerWaalsContact C-N 3.33Å; V59-I61 PolarHBondContact O-N 3.23Å; V59-I62 PolarHBondContact O-N 3.17Å; V59-F63 HydrophobicContact CG1-CD2 4Å; V59-F63 HydrophobicContact CG1-CE1 4.16Å; V59-F63 HydrophobicContact CG1-CE2 3.61Å; V59-F63 HydrophobicContact CG1-CG 4.43Å; V59-F63 HydrophobicContact CG1-CZ 3.7Å; V59-F63 WeakPolarHBondContact O-CG 3.16Å; V59-F63 PolarHBondContact O-N 2.95Å
60G97.2Very high93.4Very high0 Ų055.7 Ų55.70%029%0.289CS..Hα-helixtrans-57.7-42.2175.800000113A23 F27 F56 T57 F58 F63 L64A23-G60 WeakPolarHBondContact CB-O 3.4Å; F27-G60 VanDerWaalsContact CZ-C 3.41Å; F56-G60 PolarHBondContact O-N 2.92Å; T57-G60 PolarHBondContact O-N 3.01Å; F58-G60 VanDerWaalsContact C-N 3.3Å; F58-G60 PolarHBondContact O-N 3.4Å; G60-F63 PolarHBondContact O-N 3.34Å; G60-L64 VanDerWaalsContact O-CB 3.32Å; G60-L64 WeakPolarHBondContact O-CB 3.42Å; G60-L64 PolarHBondContact O-N 3.03Å
61I97.3Very high93.9Very high85 Ų8555.2 Ų55.244%0.43629%0.29SS..Hα-helixtrans-63.4-44.3177-66166.3000111F27 T57 F58 V59 F63 L64 V65F27-I61 HydrophobicContact CE1-CG1 3.97Å; F27-I61 HydrophobicContact CZ-CG1 3.83Å; T57-I61 HydrophobicContact CG2-CD1 4.47Å; T57-I61 WeakPolarHBondContact O-CG1 3.34Å; T57-I61 PolarHBondContact O-N 2.86Å; F58-I61 PolarHBondContact O-N 2.92Å; V59-I61 VanDerWaalsContact C-N 3.33Å; V59-I61 PolarHBondContact O-N 3.23Å; I61-F63 VanDerWaalsContact C-N 3.34Å; I61-F63 PolarHBondContact O-N 2.6Å; I61-L64 WeakPolarHBondContact O-CB 3.5Å; I61-L64 PolarHBondContact O-N 3.5Å; I61-V65 WeakPolarHBondContact O-CG2 3.44Å; I61-V65 PolarHBondContact O-N 3.22Å
62I96.4Very high94.1Very high36 Ų3657.4 Ų57.419%0.18529%0.292CS..Hα-helixtrans-61.7-45.2178.7-65174.3000110.5F58 V59 L64 T66 I92 M95F58-I62 HydrophobicContact CD1-CD1 3.99Å; F58-I62 HydrophobicContact CE1-CD1 3.53Å; F58-I62 HydrophobicContact CZ-CD1 3.99Å; F58-I62 PolarHBondContact O-N 2.94Å; V59-I62 PolarHBondContact O-N 3.17Å; I62-L64 VanDerWaalsContact C-N 3.34Å; I62-T66 VanDerWaalsContact O-CB 3.31Å; I62-T66 WeakPolarHBondContact O-CB 3.26Å; I62-T66 PolarHBondContact O-N 3.48Å; I62-T66 PolarHBondContact O-OG1 3.43Å; I62-I92 HydrophobicContact CG2-CD1 4.19Å; I62-I92 HydrophobicContact CG2-CG1 3.91Å; I62-M95 HydrophobicContact CD1-CE 3.64Å; I62-M95 HydrophobicContact CD1-SD 3.89Å; I62-M95 HydrophobicContact CG2-CE 4.16Å
63F97.3Very high94.1Very high36 Ų3655 Ų5516%0.15828%0.276CS..Hα-helixtrans-65.8-36.8176.8-70.6-6.9000112.4F19 A23 V59 G60 I61 G67 I92F19-F63 HydrophobicContact CB-CB 4.43Å; F19-F63 HydrophobicContact CD1-CB 4.34Å; F19-F63 AromaticContact CD1-CD1 3.7Å; F19-F63 HydrophobicContact CD1-CD1 3.7Å; F19-F63 HydrophobicContact CD1-CD2 4.47Å; F19-F63 HydrophobicContact CD1-CE1 4.06Å; F19-F63 AromaticContact CD1-CG 3.93Å; F19-F63 HydrophobicContact CD1-CG 3.93Å; F19-F63 AromaticContact CE1-CD1 3.95Å; F19-F63 HydrophobicContact CE1-CD1 3.95Å; F19-F63 AromaticContact CE1-CE1 3.88Å; F19-F63 HydrophobicContact CE1-CE1 3.88Å; F19-F63 HydrophobicContact CE1-CZ 4.44Å; A23-F63 HydrophobicContact CB-CB 3.86Å; V59-F63 HydrophobicContact CG1-CD2 4Å; V59-F63 HydrophobicContact CG1-CE1 4.16Å; V59-F63 HydrophobicContact CG1-CE2 3.61Å; V59-F63 HydrophobicContact CG1-CG 4.43Å; V59-F63 HydrophobicContact CG1-CZ 3.7Å; V59-F63 WeakPolarHBondContact O-CG 3.16Å; V59-F63 PolarHBondContact O-N 2.95Å; G60-F63 PolarHBondContact O-N 3.34Å; I61-F63 VanDerWaalsContact C-N 3.34Å; I61-F63 PolarHBondContact O-N 2.6Å; F63-G67 WeakPolarHBondContact O-CA 3.48Å; F63-G67 PolarHBondContact O-N 3.09Å; F63-I92 HydrophobicContact CD1-CD1 4.06Å; F63-I92 HydrophobicContact CE1-CD1 4.06Å; F63-I92 HydrophobicContact CE1-CG1 4.24Å; F63-I92 HydrophobicContact CE1-CG2 4.22Å
64L97.9Very high93.9Very high54 Ų5460.2 Ų60.228%0.28330%0.301SS..Hα-helixtrans-61.4-52.3176.6-171.871.3000110.8L20 A23 F27 G60 I61 I62 G67 F68L20-L64 HydrophobicContact CD2-CD1 3.94Å; A23-L64 HydrophobicContact CB-CB 3.98Å; A23-L64 HydrophobicContact CB-CD1 4.28Å; F27-L64 HydrophobicContact CE2-CB 4.24Å; F27-L64 HydrophobicContact CE2-CD1 4.49Å; F27-L64 HydrophobicContact CE2-CD2 4.09Å; F27-L64 HydrophobicContact CZ-CD2 4.46Å; G60-L64 VanDerWaalsContact O-CB 3.32Å; G60-L64 WeakPolarHBondContact O-CB 3.42Å; G60-L64 PolarHBondContact O-N 3.03Å; I61-L64 WeakPolarHBondContact O-CB 3.5Å; I61-L64 PolarHBondContact O-N 3.5Å; I62-L64 VanDerWaalsContact C-N 3.34Å; L64-G67 PolarHBondContact O-N 3.38Å; L64-F68 HydrophobicContact CD1-CD2 4.06Å; L64-F68 HydrophobicContact CD1-CE2 3.55Å; L64-F68 HydrophobicContact CD2-CE2 4.29Å; L64-F68 HydrophobicContact CG-CD2 3.86Å; L64-F68 HydrophobicContact CG-CE2 3.69Å; L64-F68 WeakPolarHBondContact O-CD2 3.28Å; L64-F68 PolarHBondContact O-N 3.5Å
65V96.6Very high93.5Very high77 Ų7761 Ų6147%0.46731%0.308SS..Hα-helixtrans-61.8-47.7179.8173.90000110.7I61 G67 F68 I69I61-V65 WeakPolarHBondContact O-CG2 3.44Å; I61-V65 PolarHBondContact O-N 3.22Å; V65-G67 VanDerWaalsContact C-N 3.31Å; V65-G67 PolarHBondContact O-N 2.84Å; V65-F68 PolarHBondContact O-N 3.24Å; V65-I69 HydrophobicContact CG1-CD1 3.86Å; V65-I69 VanDerWaalsContact O-CG1 3.29Å; V65-I69 WeakPolarHBondContact O-CG1 3.38Å; V65-I69 PolarHBondContact O-N 2.98Å
66T94.7Very high93Very high2 Ų261 Ų611%0.01231%0.306CS..Hα-helixtrans-60.3-43.9178.4-53.50000110.9F19 I62 I69 G70 F85 A88 L89 I92F19-T66 HydrophobicContact CD2-CG2 3.88Å; F19-T66 HydrophobicContact CE2-CG2 4.02Å; F19-T66 HydrophobicContact CG-CG2 4.44Å; I62-T66 VanDerWaalsContact O-CB 3.31Å; I62-T66 WeakPolarHBondContact O-CB 3.26Å; I62-T66 PolarHBondContact O-N 3.48Å; I62-T66 PolarHBondContact O-OG1 3.43Å; T66-I69 PolarHBondContact O-N 3.03Å; T66-G70 PolarHBondContact O-N 2.73Å; T66-F85 HydrophobicContact CG2-CD2 4.01Å; T66-F85 HydrophobicContact CG2-CE2 3.64Å; T66-F85 HydrophobicContact CG2-CZ 4.42Å; T66-F85 WeakPolarHBondContact O-CD2 3.13Å; T66-F85 VanDerWaalsContact O-CE2 3.27Å; T66-F85 WeakPolarHBondContact O-CE2 3.05Å; T66-A88 HydrophobicContact CG2-CB 4.07Å; T66-L89 HydrophobicContact CG2-CD2 4.28Å; T66-I92 HydrophobicContact CG2-CD1 4.04Å
67G95.9Very high92.1Very high0 Ų061.7 Ų61.70%031%0.31CS..Hα-helixtrans-61.7-46.8178.400000113.3G16 F63 L64 V65 I69 G70 C71G16-G67 VanDerWaalsContact O-CA 3.25Å; G16-G67 WeakPolarHBondContact O-CA 3.42Å; F63-G67 WeakPolarHBondContact O-CA 3.48Å; F63-G67 PolarHBondContact O-N 3.09Å; L64-G67 PolarHBondContact O-N 3.38Å; V65-G67 VanDerWaalsContact C-N 3.31Å; V65-G67 PolarHBondContact O-N 2.84Å; G67-I69 PolarHBondContact O-N 3.43Å; G67-G70 PolarHBondContact O-N 3.01Å; G67-C71 PolarHBondContact O-N 3.22Å; G67-C71 PolarHBondContact O-SG 3.02Å
68F94.9Very high91.6Very high119 Ų11962 Ų6252%0.52231%0.314SS..Hα-helixtrans-60.6-45.5175.8-87.3-66.2000112.2L20 L64 V65 G70 C71 W72L20-F68 HydrophobicContact CD2-CD2 3.97Å; L20-F68 HydrophobicContact CD2-CE2 4.16Å; L20-F68 HydrophobicContact CD2-CG 4.21Å; L64-F68 HydrophobicContact CD1-CD2 4.06Å; L64-F68 HydrophobicContact CD1-CE2 3.55Å; L64-F68 HydrophobicContact CD2-CE2 4.29Å; L64-F68 HydrophobicContact CG-CD2 3.86Å; L64-F68 HydrophobicContact CG-CE2 3.69Å; L64-F68 WeakPolarHBondContact O-CD2 3.28Å; L64-F68 PolarHBondContact O-N 3.5Å; V65-F68 PolarHBondContact O-N 3.24Å; F68-G70 VanDerWaalsContact C-N 3.31Å; F68-G70 PolarHBondContact O-N 3.46Å; F68-C71 PolarHBondContact O-N 2.72Å; F68-W72 VanDerWaalsContact O-CB 3.3Å; F68-W72 WeakPolarHBondContact O-CB 3.42Å; F68-W72 PolarHBondContact O-N 3.23Å
69I93.4Very high90.9Very high34 Ų3463.3 Ų63.317%0.17432%0.32CS..Hα-helixtrans-61.5-42.8176.8-64.4167.7000110.1V65 T66 G67 W72 N73 L81 F85V65-I69 HydrophobicContact CG1-CD1 3.86Å; V65-I69 VanDerWaalsContact O-CG1 3.29Å; V65-I69 WeakPolarHBondContact O-CG1 3.38Å; V65-I69 PolarHBondContact O-N 2.98Å; T66-I69 PolarHBondContact O-N 3.03Å; G67-I69 PolarHBondContact O-N 3.43Å; I69-W72 PolarHBondContact O-N 3.22Å; I69-N73 PolarHBondContact O-N 3.43Å; I69-N73 PolarHBondContact O-ND2 3.19Å; I69-L81 HydrophobicContact CG2-CD2 4.39Å; I69-L81 WeakPolarHBondContact CG2-O 3.31Å; I69-F85 HydrophobicContact CB-CD2 4.31Å; I69-F85 HydrophobicContact CG2-CB 3.77Å; I69-F85 HydrophobicContact CG2-CD2 4.09Å; I69-F85 HydrophobicContact CG2-CG 4.41Å
70G91.6Very high90.5Very high0 Ų065 Ų650%033%0.332CS..Hα-helixtrans-59.9-47.517800000113T66 G67 F68 N73T66-G70 PolarHBondContact O-N 2.73Å; G67-G70 PolarHBondContact O-N 3.01Å; F68-G70 VanDerWaalsContact C-N 3.31Å; F68-G70 PolarHBondContact O-N 3.46Å; G70-N73 PolarHBondContact O-N 3.24Å
71C91.3Very high90Very high42 Ų4267 Ų6728%0.28434%0.343SS..Hα-helixtrans-66.4-37175.4-65.60000112.2G67 F68 N73 M74G67-C71 PolarHBondContact O-N 3.22Å; G67-C71 PolarHBondContact O-SG 3.02Å; F68-C71 PolarHBondContact O-N 2.72Å; C71-N73 VanDerWaalsContact C-N 3.33Å; C71-N73 PolarHBondContact O-N 3.05Å; C71-M74 WeakPolarHBondContact O-CB 3.47Å; C71-M74 PolarHBondContact O-N 3.2Å; C71-M74 VanDerWaalsContact O-N 3.11Å
72W91.2Very high89.4Confident145 Ų14565 Ų6555%0.54933%0.333SS..Hα-helixtrans-64.3-37.4178.6-162.7-65.8000112.4F68 I69 M74 C75 H76 L81F68-W72 VanDerWaalsContact O-CB 3.3Å; F68-W72 WeakPolarHBondContact O-CB 3.42Å; F68-W72 PolarHBondContact O-N 3.23Å; I69-W72 PolarHBondContact O-N 3.22Å; W72-M74 PolarHBondContact O-N 2.67Å; W72-M74 VanDerWaalsContact O-N 3.13Å; W72-C75 PolarHBondContact O-N 3.37Å; W72-H76 AromaticContact NE1-CG 3.73Å; W72-H76 AromaticContact NE1-ND1 3.73Å; W72-H76 PolarHBondContact O-N 2.97Å; W72-L81 HydrophobicContact CB-CD2 3.71Å; W72-L81 HydrophobicContact CD2-CD2 4.46Å; W72-L81 HydrophobicContact CG-CD2 3.53Å
73N86.9Confident88.8Confident8 Ų869.7 Ų69.74%0.04335%0.352CS..Hα-helixtrans-58.9-22.3174.6-84.3-77.2000113I69 G70 C71 L81 L82I69-N73 PolarHBondContact O-N 3.43Å; I69-N73 PolarHBondContact O-ND2 3.19Å; G70-N73 PolarHBondContact O-N 3.24Å; C71-N73 VanDerWaalsContact C-N 3.33Å; C71-N73 PolarHBondContact O-N 3.05Å; N73-L81 PolarHBondContact ND2-O 3.27Å; N73-L82 PolarHBondContact OD1-N 3Å
74M85.4Confident88.4Confident112 Ų11270.2 Ų70.255%0.55236%0.361SS*.Hα-helixtrans-69.9-35.5176.2-158.7168.980.900111.8C71 W72C71-M74 WeakPolarHBondContact O-CB 3.47Å; C71-M74 PolarHBondContact O-N 3.2Å; C71-M74 VanDerWaalsContact O-N 3.11Å; W72-M74 PolarHBondContact O-N 2.67Å; W72-M74 VanDerWaalsContact O-N 3.13Å
75C84.1Confident88.1Confident101 Ų10167.7 Ų67.768%0.68235%0.347SS*.Hα-helixtrans-93.2-34.5-178.1-60.90000113.1W72W72-C75 PolarHBondContact O-N 3.37Å
76H82.2Confident87.6Confident109 Ų10965.4 Ų65.451%0.50533%0.331SS..  trans-125.3125.2-174.9-74.575.5000111.8W72 S78W72-H76 AromaticContact NE1-CG 3.73Å; W72-H76 AromaticContact NE1-ND1 3.73Å; W72-H76 PolarHBondContact O-N 2.97Å; H76-S78 PolarHBondContact O-N 2.81Å
77E75.2Confident87.4Confident116 Ų11669.5 Ų69.554%0.54235%0.352SS..  trans-92.384.4177.9-158.8172.7162.600109.7R5 K9R5-E77 WeakPolarHBondContact CD-OE1 2.93Å; R5-E77 IonicContact CZ-OE1 2.89Å; R5-E77 VanDerWaalsContact CZ-OE1 3.29Å; R5-E77 IonicContact NE-OE1 3.74Å; R5-E77 PolarHBondContact NE-OE1 2.87Å; R5-E77 IonicContact NH1-OE1 2.7Å; R5-E77 PolarHBondContact NH1-OE1 3.17Å; R5-E77 IonicContact NH1-OE2 3.8Å; K9-E77 WeakPolarHBondContact CE-OE2 3.34Å; K9-E77 IonicContact NZ-OE2 3.37Å; K9-E77 PolarHBondContact NZ-OE2 3.05Å
78S83.9Confident87.3Confident47 Ų4770.2 Ų70.233%0.32936%0.358SS..  trans-117127.1175174.40000110.4H76 C80 L81 L82H76-S78 PolarHBondContact O-N 2.81Å; S78-C80 PolarHBondContact O-N 3.26Å; S78-C80 PolarHBondContact OG-N 3.48Å; S78-L81 PolarHBondContact O-N 2.91Å; S78-L82 PolarHBondContact O-N 3.49Å; S78-L82 VanDerWaalsContact O-N 3.11Å
79K81.2Confident87.2Confident154 Ų15464.6 Ų64.667%0.6733%0.334SS*.Hα-helixtrans-55.2-34.7175-67.7-173.3176.9-173.50111.8F83K79-F83 WeakPolarHBondContact O-CB 3.48Å; K79-F83 PolarHBondContact O-N 3.49Å
80C86.3Confident87Confident87 Ų8766.2 Ų66.259%0.58834%0.343SS*.Hα-helixtrans-65.9-47.6178.8-171.50000111.7S78 L82 F83 S84S78-C80 PolarHBondContact O-N 3.26Å; S78-C80 PolarHBondContact OG-N 3.48Å; C80-L82 VanDerWaalsContact C-N 3.32Å; C80-L82 PolarHBondContact O-N 3.47Å; C80-F83 PolarHBondContact O-N 3.24Å; C80-S84 PolarHBondContact O-N 3Å; C80-S84 PolarHBondContact O-OG 2.93Å; C80-S84 VanDerWaalsContact O-OG 3.05Å
81L85.7Confident87.1Confident43 Ų4371 Ų7123%0.22537%0.368CS..Hα-helixtrans-64-38.1177.8-87.6106.8000112.7I69 W72 N73 S78 S84 F85I69-L81 HydrophobicContact CG2-CD2 4.39Å; I69-L81 WeakPolarHBondContact CG2-O 3.31Å; W72-L81 HydrophobicContact CB-CD2 3.71Å; W72-L81 HydrophobicContact CD2-CD2 4.46Å; W72-L81 HydrophobicContact CG-CD2 3.53Å; N73-L81 PolarHBondContact ND2-O 3.27Å; S78-L81 PolarHBondContact O-N 2.91Å; L81-S84 PolarHBondContact O-N 2.96Å; L81-F85 PolarHBondContact O-N 3.31Å
82L84.7Confident87.3Confident42 Ų4269.2 Ų69.222%0.2236%0.355CS..Hα-helixtrans-63.6-44.8177.1-167.665.2000110.8L12 N73 S78 C80 F85 F86 L226L12-L82 HydrophobicContact CD1-CD1 3.63Å; N73-L82 PolarHBondContact OD1-N 3Å; S78-L82 PolarHBondContact O-N 3.49Å; S78-L82 VanDerWaalsContact O-N 3.11Å; C80-L82 VanDerWaalsContact C-N 3.32Å; C80-L82 PolarHBondContact O-N 3.47Å; L82-F85 PolarHBondContact O-N 3.32Å; L82-F86 PolarHBondContact O-N 3.02Å; L82-L226 HydrophobicContact CD1-CD1 3.86Å; L82-L226 HydrophobicContact CD1-CD2 3.59Å; L82-L226 HydrophobicContact CD1-CG 3.82Å; L82-L226 HydrophobicContact CD2-CD1 4.5Å; L82-L226 HydrophobicContact CD2-CD2 4.18Å; L82-L226 HydrophobicContact CD2-CG 3.9Å; L82-L226 HydrophobicContact CG-CD1 4.33Å; L82-L226 HydrophobicContact CG-CD2 3.46Å; L82-L226 VanDerWaalsContact CG-CD2 3.46Å; L82-L226 HydrophobicContact CG-CG 3.73Å
83F85.2Confident87.3Confident135 Ų13564.2 Ų64.259%0.59234%0.339SS*.Hα-helixtrans-65.4-41.1175.7-176.1-99.9000112.6K79 C80 F85 F86 L87K79-F83 WeakPolarHBondContact O-CB 3.48Å; K79-F83 PolarHBondContact O-N 3.49Å; C80-F83 PolarHBondContact O-N 3.24Å; F83-F85 VanDerWaalsContact C-N 3.33Å; F83-F85 PolarHBondContact O-N 3.18Å; F83-F86 WeakPolarHBondContact O-CB 3.37Å; F83-F86 PolarHBondContact O-N 3.36Å; F83-L87 PolarHBondContact O-N 3.16Å
84S89.1Confident87.6Confident48 Ų4866.3 Ų66.334%0.33636%0.357SS..Hα-helixtrans-62-41.1175-60.10000112C80 L81 L87 A88C80-S84 PolarHBondContact O-N 3Å; C80-S84 PolarHBondContact O-OG 2.93Å; C80-S84 VanDerWaalsContact O-OG 3.05Å; L81-S84 PolarHBondContact O-N 2.96Å; S84-L87 PolarHBondContact O-N 3.02Å; S84-A88 WeakPolarHBondContact O-CB 3.28Å; S84-A88 PolarHBondContact O-N 3.39Å
85F89.8Confident88Confident0 Ų064.1 Ų64.10%035%0.347CS..Hα-helixtrans-63-46.4175.6-168.6-106.5000111.4L12 L15 T66 I69 L81 L82 F83 L87 A88 L89L12-F85 HydrophobicContact CD2-CD1 3.74Å; L12-F85 HydrophobicContact CD2-CE1 3.45Å; L12-F85 VanDerWaalsContact CD2-CE1 3.45Å; L12-F85 HydrophobicContact CD2-CZ 4.49Å; L15-F85 HydrophobicContact CB-CZ 4.49Å; L15-F85 HydrophobicContact CD2-CE1 4.1Å; L15-F85 HydrophobicContact CD2-CZ 3.94Å; L15-F85 HydrophobicContact CG-CZ 4.24Å; T66-F85 HydrophobicContact CG2-CD2 4.01Å; T66-F85 HydrophobicContact CG2-CE2 3.64Å; T66-F85 HydrophobicContact CG2-CZ 4.42Å; T66-F85 WeakPolarHBondContact O-CD2 3.13Å; T66-F85 VanDerWaalsContact O-CE2 3.27Å; T66-F85 WeakPolarHBondContact O-CE2 3.05Å; I69-F85 HydrophobicContact CB-CD2 4.31Å; I69-F85 HydrophobicContact CG2-CB 3.77Å; I69-F85 HydrophobicContact CG2-CD2 4.09Å; I69-F85 HydrophobicContact CG2-CG 4.41Å; L81-F85 PolarHBondContact O-N 3.31Å; L82-F85 PolarHBondContact O-N 3.32Å; F83-F85 VanDerWaalsContact C-N 3.33Å; F83-F85 PolarHBondContact O-N 3.18Å; F85-L87 PolarHBondContact O-N 3.27Å; F85-A88 PolarHBondContact O-N 3.04Å; F85-L89 HydrophobicContact CD1-CD1 3.85Å; F85-L89 HydrophobicContact CD1-CG 4.13Å; F85-L89 HydrophobicContact CE1-CD1 3.51Å; F85-L89 HydrophobicContact CE1-CD2 4.17Å; F85-L89 HydrophobicContact CE1-CG 3.92Å; F85-L89 HydrophobicContact CZ-CD1 4.27Å; F85-L89 HydrophobicContact CZ-CD2 4.11Å; F85-L89 HydrophobicContact CZ-CG 4.31Å; F85-L89 WeakPolarHBondContact O-CG 3.09Å; F85-L89 PolarHBondContact O-N 3.06Å
86F87.7Confident88.4Confident29 Ų2962 Ų6213%0.12733%0.328CS..Hα-helixtrans-55.1-49.2175.4174.2-93.1000112.3L82 F83 A88 L89 L90 P223 L226 M227L82-F86 PolarHBondContact O-N 3.02Å; F83-F86 WeakPolarHBondContact O-CB 3.37Å; F83-F86 PolarHBondContact O-N 3.36Å; F86-A88 VanDerWaalsContact C-N 3.32Å; F86-A88 PolarHBondContact O-N 3.4Å; F86-L89 PolarHBondContact O-N 3.36Å; F86-L90 HydrophobicContact CD1-CD1 3.96Å; F86-L90 HydrophobicContact CD1-CG 4.44Å; F86-L90 HydrophobicContact CE1-CD1 3.28Å; F86-L90 HydrophobicContact CE1-CG 4.06Å; F86-L90 HydrophobicContact CZ-CD1 3.64Å; F86-L90 HydrophobicContact CZ-CG 4.18Å; F86-L90 PolarHBondContact O-N 2.75Å; F86-P223 HydrophobicContact CD2-CB 3.84Å; F86-P223 HydrophobicContact CD2-CG 4.27Å; F86-P223 HydrophobicContact CE2-CB 3.39Å; F86-P223 HydrophobicContact CE2-CG 4.23Å; F86-P223 HydrophobicContact CZ-CB 4.37Å; F86-L226 HydrophobicContact CB-CD2 3.97Å; F86-L226 HydrophobicContact CD2-CD2 4.35Å; F86-M227 HydrophobicContact CE2-CG 4.05Å; F86-M227 HydrophobicContact CZ-CG 4.11Å; F86-M227 HydrophobicContact CZ-SD 4.29Å
87L90.4Very high88.9Confident88 Ų8860.7 Ų60.746%0.46133%0.327SS..Hα-helixtrans-62.3-41178.9-174.570.3000111.4F83 S84 F85 L89 L90 L91F83-L87 PolarHBondContact O-N 3.16Å; S84-L87 PolarHBondContact O-N 3.02Å; F85-L87 PolarHBondContact O-N 3.27Å; L87-L89 PolarHBondContact O-N 2.81Å; L87-L90 PolarHBondContact O-N 2.96Å; L87-L91 HydrophobicContact CG-CD1 4.49Å; L87-L91 WeakPolarHBondContact O-CG 3.29Å; L87-L91 PolarHBondContact O-N 3.28Å
88A93Very high89.8Confident15 Ų1558.7 Ų58.712%0.12432%0.324CS..Hα-helixtrans-62.5-41.4176.300000112.3T66 S84 F85 F86 L91 I92T66-A88 HydrophobicContact CG2-CB 4.07Å; S84-A88 WeakPolarHBondContact O-CB 3.28Å; S84-A88 PolarHBondContact O-N 3.39Å; F85-A88 PolarHBondContact O-N 3.04Å; F86-A88 VanDerWaalsContact C-N 3.32Å; F86-A88 PolarHBondContact O-N 3.4Å; A88-L91 PolarHBondContact O-N 2.68Å; A88-I92 WeakPolarHBondContact O-CG1 3.49Å; A88-I92 PolarHBondContact O-N 2.96Å
89L92.5Very high90.2Very high2 Ų259.7 Ų59.71%0.0133%0.33CS..Hα-helixtrans-63.4-42.1175.2-67.8-175.7000112.4L15 F19 T66 F85 F86 L87 L91 I92 L93 L219 P222L15-L89 HydrophobicContact CD2-CD1 4.18Å; L15-L89 HydrophobicContact CD2-CD2 4.01Å; F19-L89 HydrophobicContact CE2-CD2 3.63Å; F19-L89 HydrophobicContact CZ-CD2 3.99Å; T66-L89 HydrophobicContact CG2-CD2 4.28Å; F85-L89 HydrophobicContact CD1-CD1 3.85Å; F85-L89 HydrophobicContact CD1-CG 4.13Å; F85-L89 HydrophobicContact CE1-CD1 3.51Å; F85-L89 HydrophobicContact CE1-CD2 4.17Å; F85-L89 HydrophobicContact CE1-CG 3.92Å; F85-L89 HydrophobicContact CZ-CD1 4.27Å; F85-L89 HydrophobicContact CZ-CD2 4.11Å; F85-L89 HydrophobicContact CZ-CG 4.31Å; F85-L89 WeakPolarHBondContact O-CG 3.09Å; F85-L89 PolarHBondContact O-N 3.06Å; F86-L89 PolarHBondContact O-N 3.36Å; L87-L89 PolarHBondContact O-N 2.81Å; L89-L91 VanDerWaalsContact C-N 3.32Å; L89-L91 PolarHBondContact O-N 2.85Å; L89-I92 PolarHBondContact O-N 3.4Å; L89-L93 WeakPolarHBondContact O-CB 3.4Å; L89-L93 PolarHBondContact O-N 3.37Å; L89-L219 HydrophobicContact CD2-CD2 4.15Å; L89-P222 HydrophobicContact CD1-CB 4.17Å; L89-P222 HydrophobicContact CD1-CG 3.75Å
90L90.5Very high90.7Very high68 Ų6856.6 Ų56.636%0.35632%0.324SS..Hα-helixtrans-62.2-40.3175.5-72.7-176.3000112F86 L87 L93 A94F86-L90 HydrophobicContact CD1-CD1 3.96Å; F86-L90 HydrophobicContact CD1-CG 4.44Å; F86-L90 HydrophobicContact CE1-CD1 3.28Å; F86-L90 HydrophobicContact CE1-CG 4.06Å; F86-L90 HydrophobicContact CZ-CD1 3.64Å; F86-L90 HydrophobicContact CZ-CG 4.18Å; F86-L90 PolarHBondContact O-N 2.75Å; L87-L90 PolarHBondContact O-N 2.96Å; L90-L93 PolarHBondContact O-N 3.48Å; L90-A94 WeakPolarHBondContact O-CB 3.42Å; L90-A94 PolarHBondContact O-N 2.93Å
91L93Very high91Very high101 Ų10155.7 Ų55.753%0.52932%0.319SS..Hα-helixtrans-63.5-43.5175.1-70.4172.6000111.5L87 A88 L89 A94 M95L87-L91 HydrophobicContact CG-CD1 4.49Å; L87-L91 WeakPolarHBondContact O-CG 3.29Å; L87-L91 PolarHBondContact O-N 3.28Å; A88-L91 PolarHBondContact O-N 2.68Å; L89-L91 VanDerWaalsContact C-N 3.32Å; L89-L91 PolarHBondContact O-N 2.85Å; L91-A94 PolarHBondContact O-N 3.38Å; L91-M95 WeakPolarHBondContact O-CG 3.32Å; L91-M95 PolarHBondContact O-N 3.2Å
92I94.5Very high91.5Very high3 Ų358.2 Ų58.22%0.01533%0.332CS..Hα-helixtrans-61.5-45.1175.4-68.7165.4000110.6F19 I62 F63 T66 A88 L89 A94 M95 L96 L219F19-I92 HydrophobicContact CE1-CD1 3.99Å; F19-I92 HydrophobicContact CZ-CD1 3.94Å; I62-I92 HydrophobicContact CG2-CD1 4.19Å; I62-I92 HydrophobicContact CG2-CG1 3.91Å; F63-I92 HydrophobicContact CD1-CD1 4.06Å; F63-I92 HydrophobicContact CE1-CD1 4.06Å; F63-I92 HydrophobicContact CE1-CG1 4.24Å; F63-I92 HydrophobicContact CE1-CG2 4.22Å; T66-I92 HydrophobicContact CG2-CD1 4.04Å; A88-I92 WeakPolarHBondContact O-CG1 3.49Å; A88-I92 PolarHBondContact O-N 2.96Å; L89-I92 PolarHBondContact O-N 3.4Å; I92-A94 PolarHBondContact O-N 3.34Å; I92-M95 HydrophobicContact CG1-CE 4.11Å; I92-M95 PolarHBondContact O-N 3.49Å; I92-L96 HydrophobicContact CG2-CD1 4.13Å; I92-L96 HydrophobicContact CG2-CG 4.45Å; I92-L96 WeakPolarHBondContact O-CG 3.5Å; I92-L96 PolarHBondContact O-N 3.14Å; I92-L219 HydrophobicContact CG2-CD1 3.97Å
93L92.5Very high91.8Very high41 Ų4159 Ų5922%0.21534%0.341CS..Hα-helixtrans-59.2-46.2177.2-167.186.5000111.4L89 L90 M95 L96 V97 T216 L219 V220L89-L93 WeakPolarHBondContact O-CB 3.4Å; L89-L93 PolarHBondContact O-N 3.37Å; L90-L93 PolarHBondContact O-N 3.48Å; L93-M95 PolarHBondContact O-N 3.17Å; L93-L96 PolarHBondContact O-N 3.26Å; L93-V97 WeakPolarHBondContact O-CG2 3.19Å; L93-V97 PolarHBondContact O-N 3.47Å; L93-T216 HydrophobicContact CD1-CG2 3.65Å; L93-L219 HydrophobicContact CD1-CB 4.42Å; L93-V220 HydrophobicContact CD1-CG2 3.65Å; L93-V220 HydrophobicContact CD2-CG2 4.1Å
94A93Very high92.2Very high52 Ų5260.8 Ų60.843%0.4335%0.349SS..Hα-helixtrans-61.4-42.7177.500000111.7L90 L91 I92 L96 V97 T98L90-A94 WeakPolarHBondContact O-CB 3.42Å; L90-A94 PolarHBondContact O-N 2.93Å; L91-A94 PolarHBondContact O-N 3.38Å; I92-A94 PolarHBondContact O-N 3.34Å; A94-L96 PolarHBondContact O-N 2.96Å; A94-V97 PolarHBondContact O-N 2.93Å; A94-T98 WeakPolarHBondContact O-CB 3.42Å; A94-T98 VanDerWaalsContact O-CG2 3.26Å; A94-T98 WeakPolarHBondContact O-CG2 3.44Å; A94-T98 PolarHBondContact O-N 3.45Å; A94-T98 PolarHBondContact O-OG1 2.92Å
95M93Very high92.5Very high66 Ų6661.7 Ų61.733%0.32536%0.359SS..Hα-helixtrans-63.1-38.9174.9-72.3-170.8-61.100112.5I62 L91 I92 L93 T98 S99I62-M95 HydrophobicContact CD1-CE 3.64Å; I62-M95 HydrophobicContact CD1-SD 3.89Å; I62-M95 HydrophobicContact CG2-CE 4.16Å; L91-M95 WeakPolarHBondContact O-CG 3.32Å; L91-M95 PolarHBondContact O-N 3.2Å; I92-M95 HydrophobicContact CG1-CE 4.11Å; I92-M95 PolarHBondContact O-N 3.49Å; L93-M95 PolarHBondContact O-N 3.17Å; M95-T98 WeakPolarHBondContact CA-OG1 3.37Å; M95-T98 PolarHBondContact O-OG1 3.36Å; M95-S99 WeakPolarHBondContact O-CB 3.38Å; M95-S99 PolarHBondContact O-N 2.87Å
96L92.8Very high92.8Very high57 Ų5768 Ų6830%0.29838%0.384SS..Hα-helixtrans-65.4-49.3176.9-71.3172.3000111.5I92 L93 A94 T98 S99 V100 F215 L219I92-L96 HydrophobicContact CG2-CD1 4.13Å; I92-L96 HydrophobicContact CG2-CG 4.45Å; I92-L96 WeakPolarHBondContact O-CG 3.5Å; I92-L96 PolarHBondContact O-N 3.14Å; L93-L96 PolarHBondContact O-N 3.26Å; A94-L96 PolarHBondContact O-N 2.96Å; L96-T98 PolarHBondContact O-N 3.35Å; L96-S99 PolarHBondContact O-N 2.94Å; L96-V100 WeakPolarHBondContact O-CG2 3.36Å; L96-V100 PolarHBondContact O-N 3.29Å; L96-F215 HydrophobicContact CD1-CD1 4.32Å; L96-F215 HydrophobicContact CD1-CE1 4.07Å; L96-L219 HydrophobicContact CD1-CD1 3.82Å
97V92.5Very high93Very high80 Ų8071.9 Ų71.949%0.48540%0.401SS..Hα-helixtrans-63-44.1-179.6174.20000111L93 A94 S101L93-V97 WeakPolarHBondContact O-CG2 3.19Å; L93-V97 PolarHBondContact O-N 3.47Å; A94-V97 PolarHBondContact O-N 2.93Å; V97-S101 VanDerWaalsContact O-CB 3.28Å; V97-S101 WeakPolarHBondContact O-CB 3.35Å; V97-S101 PolarHBondContact O-N 3.38Å; V97-S101 PolarHBondContact O-OG 3.28Å
98T94.2Very high93.1Very high75 Ų7571.6 Ų71.646%0.4641%0.406SS..Hα-helixtrans-64.8-43.817751.30000111.5A94 M95 L96 V100 S101 L102A94-T98 WeakPolarHBondContact O-CB 3.42Å; A94-T98 VanDerWaalsContact O-CG2 3.26Å; A94-T98 WeakPolarHBondContact O-CG2 3.44Å; A94-T98 PolarHBondContact O-N 3.45Å; A94-T98 PolarHBondContact O-OG1 2.92Å; M95-T98 WeakPolarHBondContact CA-OG1 3.37Å; M95-T98 PolarHBondContact O-OG1 3.36Å; L96-T98 PolarHBondContact O-N 3.35Å; T98-V100 PolarHBondContact O-N 3.16Å; T98-S101 PolarHBondContact O-N 2.96Å; T98-L102 WeakPolarHBondContact O-CB 3.5Å; T98-L102 VanDerWaalsContact O-CG 3.24Å; T98-L102 WeakPolarHBondContact O-CG 3.35Å; T98-L102 PolarHBondContact O-N 3.49Å
99S92.5Very high93.2Very high67 Ų6775.7 Ų75.747%0.46942%0.423SS..Hα-helixtrans-59.8-47.1176.9179.20000112.4M95 L96 S103M95-S99 WeakPolarHBondContact O-CB 3.38Å; M95-S99 PolarHBondContact O-N 2.87Å; L96-S99 PolarHBondContact O-N 2.94Å; S99-S103 VanDerWaalsContact O-CB 3.26Å; S99-S103 WeakPolarHBondContact O-CB 3.35Å; S99-S103 PolarHBondContact O-N 3.46Å; S99-S103 PolarHBondContact O-OG 2.93Å
100V91.8Very high93Very high90 Ų9078.7 Ų78.755%0.54544%0.438SS..Hα-helixtrans-63.3-44.6177.2172.50000111L96 T98 S103 F104L96-V100 WeakPolarHBondContact O-CG2 3.36Å; L96-V100 PolarHBondContact O-N 3.29Å; T98-V100 PolarHBondContact O-N 3.16Å; V100-S103 PolarHBondContact O-N 2.97Å; V100-F104 PolarHBondContact O-N 3.41Å
101S93.7Very high92.9Very high67 Ų6777.6 Ų77.647%0.46943%0.432SS..Hα-helixtrans-64-46.1-179.4-57.10000111.7V97 T98 F104 A105V97-S101 VanDerWaalsContact O-CB 3.28Å; V97-S101 WeakPolarHBondContact O-CB 3.35Å; V97-S101 PolarHBondContact O-N 3.38Å; V97-S101 PolarHBondContact O-OG 3.28Å; T98-S101 PolarHBondContact O-N 2.96Å; S101-F104 PolarHBondContact O-N 3.16Å; S101-A105 WeakPolarHBondContact O-CB 3.22Å; S101-A105 PolarHBondContact O-N 3.4Å
102L95.1Very high92.7Very high97 Ų9775 Ų7551%0.50843%0.426SS..Hα-helixtrans-65-41.1176.8-70.8173.2000111.5T98 F104 A105 Y106T98-L102 WeakPolarHBondContact O-CB 3.5Å; T98-L102 VanDerWaalsContact O-CG 3.24Å; T98-L102 WeakPolarHBondContact O-CG 3.35Å; T98-L102 PolarHBondContact O-N 3.49Å; L102-F104 VanDerWaalsContact C-N 3.26Å; L102-F104 PolarHBondContact O-N 3.11Å; L102-A105 PolarHBondContact O-N 2.95Å; L102-Y106 HydrophobicContact CB-CD2 4.46Å; L102-Y106 HydrophobicContact CD2-CD2 4.06Å; L102-Y106 HydrophobicContact CD2-CE2 3.7Å; L102-Y106 WeakPolarHBondContact O-CB 3.31Å; L102-Y106 WeakPolarHBondContact O-CD2 3.16Å; L102-Y106 PolarHBondContact O-N 3.27Å
103S91.7Very high92.4Very high57 Ų5779.5 Ų79.540%0.39945%0.449SS..Hα-helixtrans-60.9-36.8176.9-61.90000112.1S99 V100 K107S99-S103 VanDerWaalsContact O-CB 3.26Å; S99-S103 WeakPolarHBondContact O-CB 3.35Å; S99-S103 PolarHBondContact O-N 3.46Å; S99-S103 PolarHBondContact O-OG 2.93Å; V100-S103 PolarHBondContact O-N 2.97Å; S103-K107 WeakPolarHBondContact O-CA 3.4Å; S103-K107 PolarHBondContact O-N 3.46Å
104F92.3Very high92Very high173 Ų17380.6 Ų80.676%0.75946%0.455SS*.Hα-helixtrans-73.6-47175.6-173.1-97.2000112V100 S101 L102 Y106 K107V100-F104 PolarHBondContact O-N 3.41Å; S101-F104 PolarHBondContact O-N 3.16Å; L102-F104 VanDerWaalsContact C-N 3.26Å; L102-F104 PolarHBondContact O-N 3.11Å; F104-Y106 VanDerWaalsContact C-N 3.32Å; F104-Y106 PolarHBondContact O-N 3.06Å; F104-K107 PolarHBondContact O-N 3.04Å
105A96.5Very high91.7Very high67 Ų6779.2 Ų79.255%0.55444%0.441SS*.Hα-helixtrans-61.4-39.3179.900000112.5S101 L102S101-A105 WeakPolarHBondContact O-CB 3.22Å; S101-A105 PolarHBondContact O-N 3.4Å; L102-A105 PolarHBondContact O-N 2.95Å
106Y94.9Very high91.4Very high132 Ų13281.2 Ų81.252%0.51845%0.453SS..THydrogen-bonded Turntrans-10423.1-176.1-64.8-77.2000114.1L102 F104 S108 Q109 I110L102-Y106 HydrophobicContact CB-CD2 4.46Å; L102-Y106 HydrophobicContact CD2-CD2 4.06Å; L102-Y106 HydrophobicContact CD2-CE2 3.7Å; L102-Y106 WeakPolarHBondContact O-CB 3.31Å; L102-Y106 WeakPolarHBondContact O-CD2 3.16Å; L102-Y106 PolarHBondContact O-N 3.27Å; F104-Y106 VanDerWaalsContact C-N 3.32Å; F104-Y106 PolarHBondContact O-N 3.06Å; Y106-S108 VanDerWaalsContact C-N 3.31Å; Y106-S108 PolarHBondContact O-N 3.46Å; Y106-Q109 PolarHBondContact O-N 3.41Å; Y106-Q109 PolarHBondContact O-OE1 3.23Å; Y106-Q109 VanDerWaalsContact O-OE1 3.12Å; Y106-I110 VanDerWaalsContact O-CG1 3.31Å; Y106-I110 WeakPolarHBondContact O-CG1 3.12Å; Y106-I110 PolarHBondContact O-N 2.87Å
107K92.3Very high90.9Very high112 Ų11280.2 Ų80.249%0.48745%0.45SS..Hα-helixtrans-54.9-43.8-174.8178.3173.7-179.8160.30113.3S103 F104 I110 D111S103-K107 WeakPolarHBondContact O-CA 3.4Å; S103-K107 PolarHBondContact O-N 3.46Å; F104-K107 PolarHBondContact O-N 3.04Å; K107-I110 PolarHBondContact O-N 3.25Å; K107-D111 WeakPolarHBondContact O-CB 3.45Å; K107-D111 PolarHBondContact O-N 2.77Å
108S93.1Very high90.4Very high81 Ų8177.9 Ų77.957%0.56644%0.437SS*.Hα-helixtrans-68.8-37-17856.80000112.2Y106 A112Y106-S108 VanDerWaalsContact C-N 3.31Å; Y106-S108 PolarHBondContact O-N 3.46Å; S108-A112 WeakPolarHBondContact O-CB 3.06Å; S108-A112 PolarHBondContact O-N 2.67Å
109Q94.4Very high90Very high102 Ų10276.7 Ų76.748%0.47743%0.428SS..Hα-helixtrans-69.6-39.7176.4-60.980.811.600111Y106 A112 L113Y106-Q109 PolarHBondContact O-N 3.41Å; Y106-Q109 PolarHBondContact O-OE1 3.23Å; Y106-Q109 VanDerWaalsContact O-OE1 3.12Å; Q109-A112 PolarHBondContact O-N 3.49Å; Q109-L113 WeakPolarHBondContact O-CB 3.39Å; Q109-L113 PolarHBondContact O-N 3.23Å
110I88.7Confident89.7Confident64 Ų6476 Ų7633%0.32842%0.418SS..Hα-helixtrans-63.2-47.9175.1-67166.1000110.4Y106 K107 A112 L113 I114Y106-I110 VanDerWaalsContact O-CG1 3.31Å; Y106-I110 WeakPolarHBondContact O-CG1 3.12Å; Y106-I110 PolarHBondContact O-N 2.87Å; K107-I110 PolarHBondContact O-N 3.25Å; I110-A112 VanDerWaalsContact C-N 3.3Å; I110-A112 PolarHBondContact O-N 2.94Å; I110-L113 PolarHBondContact O-N 3.13Å; I110-I114 HydrophobicContact CG2-CD1 3.8Å; I110-I114 HydrophobicContact CG2-CG1 4.41Å; I110-I114 VanDerWaalsContact O-CG1 3.31Å; I110-I114 WeakPolarHBondContact O-CG1 3.26Å; I110-I114 PolarHBondContact O-N 3.39Å
111D87.8Confident89.3Confident46 Ų4672.7 Ų72.725%0.24640%0.401CS..Hα-helixtrans-57.9-43.9176.9-85.57.3000110.7K107 I114 V115 Y194 K198K107-D111 WeakPolarHBondContact O-CB 3.45Å; K107-D111 PolarHBondContact O-N 2.77Å; D111-I114 PolarHBondContact O-N 3.28Å; D111-V115 WeakPolarHBondContact O-CG2 3.32Å; D111-V115 PolarHBondContact O-N 3.4Å; D111-Y194 VanDerWaalsContact CG-OH 3.25Å; D111-Y194 PolarHBondContact OD1-OH 3.4Å; D111-Y194 PolarHBondContact OD2-OH 2.91Å; D111-K198 IonicContact OD2-NZ 3.29Å
112A89.7Confident89.1Confident47 Ų4769.9 Ų69.939%0.38838%0.381SS..Hα-helixtrans-64.8-41.3177.100000112.8S108 Q109 I110 V115 N116S108-A112 WeakPolarHBondContact O-CB 3.06Å; S108-A112 PolarHBondContact O-N 2.67Å; Q109-A112 PolarHBondContact O-N 3.49Å; I110-A112 VanDerWaalsContact C-N 3.3Å; I110-A112 PolarHBondContact O-N 2.94Å; A112-V115 PolarHBondContact O-N 3.26Å; A112-N116 WeakPolarHBondContact O-CB 3.34Å; A112-N116 PolarHBondContact O-N 2.9Å; A112-N116 PolarHBondContact O-ND2 2.74Å
113L87Confident88.7Confident97 Ų9772.2 Ų72.251%0.50838%0.383SS..Hα-helixtrans-62.7-44177.3-176.767.5000111.5Y48 Q109 I110 N116 S117Y48-L113 HydrophobicContact CE1-CD1 4.14Å; Q109-L113 WeakPolarHBondContact O-CB 3.39Å; Q109-L113 PolarHBondContact O-N 3.23Å; I110-L113 PolarHBondContact O-N 3.13Å; L113-N116 PolarHBondContact O-N 2.98Å; L113-S117 WeakPolarHBondContact O-CB 3.11Å; L113-S117 PolarHBondContact O-N 2.95Å; L113-S117 PolarHBondContact O-OG 3.48Å
114I86.2Confident88.5Confident64 Ų6471.8 Ų71.833%0.32838%0.375SS..Hα-helixtrans-62.7-44.8176.8-66.3167.5000110.1I110 D111 S117 S118 F147 Y194I110-I114 HydrophobicContact CG2-CD1 3.8Å; I110-I114 HydrophobicContact CG2-CG1 4.41Å; I110-I114 VanDerWaalsContact O-CG1 3.31Å; I110-I114 WeakPolarHBondContact O-CG1 3.26Å; I110-I114 PolarHBondContact O-N 3.39Å; D111-I114 PolarHBondContact O-N 3.28Å; I114-S117 PolarHBondContact O-OG 3.48Å; I114-S117 VanDerWaalsContact O-OG 3.1Å; I114-S118 VanDerWaalsContact O-CB 3.26Å; I114-S118 WeakPolarHBondContact O-CB 3.37Å; I114-S118 PolarHBondContact O-N 2.98Å; I114-S118 PolarHBondContact O-OG 3.22Å; I114-F147 HydrophobicContact CG2-CE2 4.41Å; I114-F147 HydrophobicContact CG2-CZ 4.14Å; I114-Y194 HydrophobicContact CG2-CD2 4.33Å; I114-Y194 HydrophobicContact CG2-CE2 4.24Å
115V86.5Confident88.3Confident23 Ų2364.5 Ų64.514%0.13934%0.342CS..Hα-helixtrans-61.2-48.5178.7173.70000111.2D111 A112 S118 M119 F147 Y194D111-V115 WeakPolarHBondContact O-CG2 3.32Å; D111-V115 PolarHBondContact O-N 3.4Å; A112-V115 PolarHBondContact O-N 3.26Å; V115-S118 PolarHBondContact O-N 3.49Å; V115-M119 HydrophobicContact CG1-CG 4.5Å; V115-M119 WeakPolarHBondContact O-CB 3.21Å; V115-M119 VanDerWaalsContact O-CG 3.28Å; V115-M119 WeakPolarHBondContact O-CG 3.34Å; V115-M119 PolarHBondContact O-N 2.91Å; V115-F147 VanDerWaalsContact CA-CE1 3.48Å; V115-F147 HydrophobicContact CB-CE1 3.83Å; V115-F147 HydrophobicContact CB-CZ 4.31Å; V115-F147 HydrophobicContact CG1-CD1 4.44Å; V115-F147 HydrophobicContact CG1-CE1 3.87Å; V115-F147 HydrophobicContact CG2-CE1 3.67Å; V115-F147 HydrophobicContact CG2-CZ 4.07Å; V115-Y194 HydrophobicContact CG2-CE1 4.45Å
116N85.9Confident87.6Confident108 Ų10862.2 Ų62.258%0.57833%0.325SS*.Hα-helixtrans-68.6-44.7-176-69.2-10.9000112A112 L113 S118 M119 D120A112-N116 WeakPolarHBondContact O-CB 3.34Å; A112-N116 PolarHBondContact O-N 2.9Å; A112-N116 PolarHBondContact O-ND2 2.74Å; L113-N116 PolarHBondContact O-N 2.98Å; N116-S118 VanDerWaalsContact C-N 3.32Å; N116-S118 PolarHBondContact O-N 3.33Å; N116-M119 PolarHBondContact O-N 3.03Å; N116-D120 WeakPolarHBondContact O-CB 3.37Å; N116-D120 PolarHBondContact O-N 3.41Å
117S81.9Confident86.6Confident35 Ų3561.2 Ų61.225%0.24533%0.329CS..Hα-helixtrans-63.2-38.9177.854.30000112.3L113 I114 D120 A121L113-S117 WeakPolarHBondContact O-CB 3.11Å; L113-S117 PolarHBondContact O-N 2.95Å; L113-S117 PolarHBondContact O-OG 3.48Å; I114-S117 PolarHBondContact O-OG 3.48Å; I114-S117 VanDerWaalsContact O-OG 3.1Å; S117-D120 PolarHBondContact O-N 2.86Å; S117-A121 PolarHBondContact O-N 3.43Å
118S83.3Confident85.5Confident31 Ų3164.8 Ų64.822%0.21735%0.347CS..Hα-helixtrans-72.3-36.7178.6-54.40000112.3I114 V115 N116 D120 A121 L122 F147I114-S118 VanDerWaalsContact O-CB 3.26Å; I114-S118 WeakPolarHBondContact O-CB 3.37Å; I114-S118 PolarHBondContact O-N 2.98Å; I114-S118 PolarHBondContact O-OG 3.22Å; V115-S118 PolarHBondContact O-N 3.49Å; N116-S118 VanDerWaalsContact C-N 3.32Å; N116-S118 PolarHBondContact O-N 3.33Å; S118-D120 VanDerWaalsContact C-N 3.35Å; S118-A121 PolarHBondContact O-N 3.31Å; S118-L122 PolarHBondContact O-N 2.92Å; S118-F147 WeakPolarHBondContact OG-CE2 3.41Å
119M85.3Confident84.6Confident51 Ų5162.4 Ų62.425%0.25133%0.328SS..Hα-helixtrans-67.3-35.6172.9-72.5-59.2-16600111.9V115 N116 L122 Y123 F147 K148V115-M119 HydrophobicContact CG1-CG 4.5Å; V115-M119 WeakPolarHBondContact O-CB 3.21Å; V115-M119 VanDerWaalsContact O-CG 3.28Å; V115-M119 WeakPolarHBondContact O-CG 3.34Å; V115-M119 PolarHBondContact O-N 2.91Å; N116-M119 PolarHBondContact O-N 3.03Å; M119-L122 PolarHBondContact O-N 2.93Å; M119-L122 HydrophobicContact SD-CD2 4.25Å; M119-Y123 WeakPolarHBondContact O-CB 3.12Å; M119-Y123 PolarHBondContact O-N 3.49Å; M119-F147 HydrophobicContact CE-CB 4.03Å; M119-F147 HydrophobicContact CE-CD1 3.91Å; M119-F147 HydrophobicContact CE-CG 4.45Å; M119-F147 HydrophobicContact CG-CD1 4.36Å; M119-F147 HydrophobicContact SD-CB 3.93Å; M119-F147 HydrophobicContact SD-CD1 4.32Å; M119-F147 HydrophobicContact SD-CG 4.48Å; M119-K148 HydrophobicContact CE-CB 4.46Å; M119-K148 HydrophobicContact CE-CD 3.92Å; M119-K148 HydrophobicContact CE-CG 3.93Å
120D84.8Confident83.6Confident51 Ų5158.4 Ų58.427%0.27331%0.308SS..Hα-helixtrans-62.4-43172.8-176.659.6000111.5N116 S117 S118 L122 Y123 K124N116-D120 WeakPolarHBondContact O-CB 3.37Å; N116-D120 PolarHBondContact O-N 3.41Å; S117-D120 PolarHBondContact O-N 2.86Å; S118-D120 VanDerWaalsContact C-N 3.35Å; D120-L122 VanDerWaalsContact C-N 3.33Å; D120-L122 PolarHBondContact O-N 3.44Å; D120-Y123 PolarHBondContact O-N 3.43Å; D120-K124 WeakPolarHBondContact O-CG 3.42Å; D120-K124 PolarHBondContact O-N 2.95Å; D120-K124 VanDerWaalsContact O-N 3.08Å; D120-K124 WeakPolarHBondContact OD1-CE 3.49Å; D120-K124 IonicContact OD1-NZ 2.8Å; D120-K124 PolarHBondContact OD1-NZ 3.48Å; D120-K124 WeakPolarHBondContact OD2-CE 3.29Å; D120-K124 IonicContact OD2-NZ 3.76Å; D120-K124 PolarHBondContact OD2-NZ 2.59Å
121A83.9Confident83.2Confident22 Ų2255.8 Ų55.818%0.18230%0.295CS..Hα-helixtrans-60.9-41.8173.800000112S117 S118 Y123 K124 Y125 V135S117-A121 PolarHBondContact O-N 3.43Å; S118-A121 PolarHBondContact O-N 3.31Å; A121-Y123 VanDerWaalsContact C-N 3.35Å; A121-K124 PolarHBondContact O-N 3.23Å; A121-Y125 PolarHBondContact O-N 3.44Å; A121-V135 HydrophobicContact CB-CG2 4.34Å
122L89.1Confident83.2Confident8 Ų854.4 Ų54.44%0.04229%0.288CS..Hα-helixtrans-65.8-37176.2-163.869.7000112.1S118 M119 D120 K124 Y125 V135 D152 W153 T156S118-L122 PolarHBondContact O-N 2.92Å; M119-L122 PolarHBondContact O-N 2.93Å; M119-L122 HydrophobicContact SD-CD2 4.25Å; D120-L122 VanDerWaalsContact C-N 3.33Å; D120-L122 PolarHBondContact O-N 3.44Å; L122-K124 VanDerWaalsContact C-N 3.3Å; L122-K124 PolarHBondContact O-N 2.93Å; L122-Y125 WeakPolarHBondContact O-CB 3.06Å; L122-Y125 PolarHBondContact O-N 3.16Å; L122-V135 HydrophobicContact CD1-CG1 3.89Å; L122-D152 HydrophobicContact CD2-CB 3.75Å; L122-W153 HydrophobicContact CD1-CD2 4.41Å; L122-W153 HydrophobicContact CD1-CE3 4.38Å; L122-W153 HydrophobicContact CD1-CH2 3.4Å; L122-W153 VanDerWaalsContact CD1-CH2 3.4Å; L122-W153 HydrophobicContact CD1-CZ2 3.46Å; L122-W153 VanDerWaalsContact CD1-CZ2 3.46Å; L122-W153 HydrophobicContact CD1-CZ3 3.91Å; L122-W153 HydrophobicContact CG-CH2 4.46Å; L122-T156 HydrophobicContact CD2-CG2 4.01Å; L122-T156 HydrophobicContact CG-CG2 3.75Å
123Y88.3Confident83Confident145 Ų14555 Ų5557%0.56929%0.293SS*.Hα-helixtrans-67.9-30.9178.4-164.4-91.5000112.6M119 D120 A121 Y125 P157M119-Y123 WeakPolarHBondContact O-CB 3.12Å; M119-Y123 PolarHBondContact O-N 3.49Å; D120-Y123 PolarHBondContact O-N 3.43Å; A121-Y123 VanDerWaalsContact C-N 3.35Å; Y123-Y125 VanDerWaalsContact C-N 3.31Å; Y123-P157 HydrophobicContact CD1-CG 3.86Å; Y123-P157 HydrophobicContact CD2-CG 3.97Å; Y123-P157 HydrophobicContact CE1-CG 3.51Å; Y123-P157 HydrophobicContact CE2-CG 3.63Å; Y123-P157 HydrophobicContact CG-CG 4.08Å; Y123-P157 WeakPolarHBondContact O-CD 3.42Å
124K86.1Confident82.9Confident49 Ų4954.3 Ų54.321%0.21329%0.287CS..THydrogen-bonded Turntrans-86.12.9177.6-69.8170.9178.2167.70114T44 D120 A121 L122 N129 E131T44-K124 PolarHBondContact OG1-NZ 3.44Å; D120-K124 WeakPolarHBondContact O-CG 3.42Å; D120-K124 PolarHBondContact O-N 2.95Å; D120-K124 VanDerWaalsContact O-N 3.08Å; D120-K124 WeakPolarHBondContact OD1-CE 3.49Å; D120-K124 IonicContact OD1-NZ 2.8Å; D120-K124 PolarHBondContact OD1-NZ 3.48Å; D120-K124 WeakPolarHBondContact OD2-CE 3.29Å; D120-K124 IonicContact OD2-NZ 3.76Å; D120-K124 PolarHBondContact OD2-NZ 2.59Å; A121-K124 PolarHBondContact O-N 3.23Å; L122-K124 VanDerWaalsContact C-N 3.3Å; L122-K124 PolarHBondContact O-N 2.93Å; K124-N129 PolarHBondContact O-ND2 3.49Å; K124-E131 HydrophobicContact CB-CB 4.23Å; K124-E131 HydrophobicContact CB-CG 4.06Å; K124-E131 HydrophobicContact CD-CG 4.39Å
125Y89.3Confident83.1Confident20 Ų2051.7 Ų51.78%0.07827%0.274CS..THydrogen-bonded Turntrans-65.4137.3179.8-171.4-86.2000111.8A121 L122 Y123 T132 V135 D136 W153 W158 P167A121-Y125 PolarHBondContact O-N 3.44Å; L122-Y125 WeakPolarHBondContact O-CB 3.06Å; L122-Y125 PolarHBondContact O-N 3.16Å; Y123-Y125 VanDerWaalsContact C-N 3.31Å; Y125-T132 HydrophobicContact CD2-CG2 4.05Å; Y125-T132 HydrophobicContact CE1-CG2 4.29Å; Y125-T132 HydrophobicContact CE2-CG2 3.53Å; Y125-V135 HydrophobicContact CD2-CB 3.83Å; Y125-V135 HydrophobicContact CD2-CG1 3.72Å; Y125-V135 HydrophobicContact CD2-CG2 4.38Å; Y125-V135 HydrophobicContact CE2-CB 4.08Å; Y125-V135 HydrophobicContact CE2-CG1 3.86Å; Y125-D136 WeakPolarHBondContact CE2-OD1 3.32Å; Y125-D136 PolarHBondContact OH-OD1 2.89Å; Y125-D136 PolarHBondContact OH-OD2 3.45Å; Y125-W153 AromaticContact CD1-CH2 3.71Å; Y125-W153 HydrophobicContact CD1-CH2 3.71Å; Y125-W153 AromaticContact CD1-CZ3 3.52Å; Y125-W153 HydrophobicContact CD1-CZ3 3.52Å; Y125-W153 AromaticContact CD2-CH2 3.67Å; Y125-W153 HydrophobicContact CD2-CH2 3.67Å; Y125-W153 HydrophobicContact CD2-CZ3 4.26Å; Y125-W153 AromaticContact CE1-CH2 3.93Å; Y125-W153 HydrophobicContact CE1-CH2 3.93Å; Y125-W153 AromaticContact CE1-CZ3 3.99Å; Y125-W153 HydrophobicContact CE1-CZ3 3.99Å; Y125-W153 AromaticContact CE2-CH2 3.88Å; Y125-W153 HydrophobicContact CE2-CH2 3.88Å; Y125-W153 AromaticContact CG-CH2 3.59Å; Y125-W153 HydrophobicContact CG-CH2 3.59Å; Y125-W153 AromaticContact CG-CZ3 3.69Å; Y125-W153 HydrophobicContact CG-CZ3 3.69Å; Y125-W158 HydrophobicContact CD1-CB 4.11Å; Y125-W158 AromaticContact CD1-CD1 3.6Å; Y125-W158 HydrophobicContact CD1-CD2 4.06Å; Y125-W158 AromaticContact CD1-CG 3.65Å; Y125-W158 HydrophobicContact CD1-CG 3.65Å; Y125-W158 AromaticContact CD1-NE1 3.91Å; Y125-W158 AromaticContact CE1-CD1 3.87Å; Y125-W158 HydrophobicContact CE1-CD2 4.13Å; Y125-W158 AromaticContact CE1-CE2 3.87Å; Y125-W158 HydrophobicContact CE1-CG 4.12Å; Y125-W158 HydrophobicContact CE1-CZ2 4.49Å; Y125-W158 AromaticContact CE1-NE1 3.67Å; Y125-P167 HydrophobicContact CD1-CG 4.27Å; Y125-P167 HydrophobicContact CE1-CB 4.11Å; Y125-P167 HydrophobicContact CE1-CG 3.42Å; Y125-P167 VanDerWaalsContact CE1-CG 3.42Å; Y125-P167 HydrophobicContact CE2-CG 4.26Å; Y125-P167 VanDerWaalsContact CZ-CG 3.44Å; Y125-P167 WeakPolarHBondContact OH-CB 3.44Å; Y125-P167 WeakPolarHBondContact OH-CG 3.38Å
126G82.1Confident83.5Confident18 Ų1852.2 Ų52.219%0.18628%0.276CS..THydrogen-bonded Turntrans127.3-7.7166.100000118.6T132G126-T132 PolarHBondContact N-OG1 3.32Å
127D72.6Confident83.7Confident112 Ų11253.3 Ų53.360%0.59928%0.276SS*.SBendtrans-109.237.1-176.7-63.5-25.9000112.3N129 R161D127-N129 PolarHBondContact O-N 2.67Å; D127-R161 IonicContact OD1-CZ 2.73Å; D127-R161 IonicContact OD1-NH1 3.63Å; D127-R161 IonicContact OD1-NH2 3.48Å; D127-R161 PolarHBondContact OD1-NH2 2.89Å
128E68.8Low84.2Confident187 Ų18754.7 Ų54.787%0.87428%0.279SS*.SBendtrans44.335.2-174.1-67-170.4167.100113.1
129N73.9Confident84.8Confident30 Ų3053.2 Ų53.216%0.1627%0.269CS..  trans-95.1174.9-17561.511.6000111.3K124 D127 E131 T132 A133K124-N129 PolarHBondContact O-ND2 3.49Å; D127-N129 PolarHBondContact O-N 2.67Å; N129-E131 WeakPolarHBondContact CB-OE2 3.13Å; N129-E131 PolarHBondContact ND2-OE2 2.86Å; N129-E131 PolarHBondContact O-N 2.89Å; N129-E131 PolarHBondContact OD1-OE2 3.45Å; N129-T132 WeakPolarHBondContact O-CB 3.24Å; N129-T132 PolarHBondContact O-N 3Å; N129-T132 VanDerWaalsContact O-N 3.13Å; N129-T132 WeakPolarHBondContact OD1-CB 3.39Å; N129-T132 PolarHBondContact OD1-N 3.3Å; N129-T132 PolarHBondContact OD1-OG1 3.04Å; N129-A133 PolarHBondContact O-N 2.96Å
130R74.7Confident85.3Confident19 Ų1956.1 Ų56.17%0.07228%0.283CS..Hα-helixtrans-57.3-40.6-179.7-97.7166.5-171.8173.5-7.5112.4V35 T36 Y37 H39 Y40 T132 A133 Q134V35-R130 PolarHBondContact O-NH2 2.99Å; T36-R130 VanDerWaalsContact O-CD 3.29Å; T36-R130 WeakPolarHBondContact O-CD 3.37Å; T36-R130 PolarHBondContact O-NE 3.35Å; T36-R130 PolarHBondContact O-NH1 2.95Å; T36-R130 PolarHBondContact O-NH2 2.72Å; Y37-R130 VanDerWaalsContact CA-CZ 3.49Å; Y37-R130 PolarHBondContact O-NH1 3.41Å; H39-R130 VanDerWaalsContact N-NH2 3.2Å; Y40-R130 HydrophobicContact CD1-CB 3.9Å; Y40-R130 HydrophobicContact CD1-CG 3.63Å; Y40-R130 VanDerWaalsContact CD2-CD 3.41Å; Y40-R130 HydrophobicContact CD2-CG 4.08Å; Y40-R130 HydrophobicContact CE1-CB 3.84Å; Y40-R130 HydrophobicContact CE1-CG 3.4Å; Y40-R130 VanDerWaalsContact CE1-CG 3.4Å; Y40-R130 HydrophobicContact CE2-CG 3.81Å; Y40-R130 HydrophobicContact CG-CG 3.95Å; Y40-R130 VanDerWaalsContact CG-CZ 3.41Å; Y40-R130 VanDerWaalsContact CG-NE 3.29Å; Y40-R130 VanDerWaalsContact CG-NH1 3.33Å; Y40-R130 VanDerWaalsContact CZ-CG 3.43Å; R130-T132 VanDerWaalsContact C-N 3.26Å; R130-T132 PolarHBondContact O-N 2.92Å; R130-A133 PolarHBondContact O-N 3.49Å; R130-Q134 WeakPolarHBondContact O-CG 3.26Å; R130-Q134 PolarHBondContact O-N 2.63Å
131E80.6Confident85.7Confident8 Ų859.6 Ų59.64%0.03730%0.298CS..Hα-helixtrans-59.5-41.7-180-62.480.9177.400110.2S45 K124 N129 Q134 V135S45-E131 WeakPolarHBondContact CB-OE1 3.33Å; S45-E131 PolarHBondContact OG-OE1 2.94Å; K124-E131 HydrophobicContact CB-CB 4.23Å; K124-E131 HydrophobicContact CB-CG 4.06Å; K124-E131 HydrophobicContact CD-CG 4.39Å; N129-E131 WeakPolarHBondContact CB-OE2 3.13Å; N129-E131 PolarHBondContact ND2-OE2 2.86Å; N129-E131 PolarHBondContact O-N 2.89Å; N129-E131 PolarHBondContact OD1-OE2 3.45Å; E131-Q134 PolarHBondContact O-N 2.94Å; E131-V135 WeakPolarHBondContact O-CB 3.32Å; E131-V135 VanDerWaalsContact O-CG2 3.23Å; E131-V135 WeakPolarHBondContact O-CG2 3.41Å; E131-V135 PolarHBondContact O-N 3.37Å
132T87.7Confident86.2Confident17 Ų1760.6 Ų60.610%0.10430%0.3CS..Hα-helixtrans-58.8-53.5174.4-56.60000111.2Y125 G126 N129 R130 Q134 V135 D136Y125-T132 HydrophobicContact CD2-CG2 4.05Å; Y125-T132 HydrophobicContact CE1-CG2 4.29Å; Y125-T132 HydrophobicContact CE2-CG2 3.53Å; G126-T132 PolarHBondContact N-OG1 3.32Å; N129-T132 WeakPolarHBondContact O-CB 3.24Å; N129-T132 PolarHBondContact O-N 3Å; N129-T132 VanDerWaalsContact O-N 3.13Å; N129-T132 WeakPolarHBondContact OD1-CB 3.39Å; N129-T132 PolarHBondContact OD1-N 3.3Å; N129-T132 PolarHBondContact OD1-OG1 3.04Å; R130-T132 VanDerWaalsContact C-N 3.26Å; R130-T132 PolarHBondContact O-N 2.92Å; T132-Q134 VanDerWaalsContact C-N 3.28Å; T132-Q134 PolarHBondContact O-N 3.18Å; T132-V135 PolarHBondContact O-N 2.84Å; T132-D136 WeakPolarHBondContact O-CB 3.23Å; T132-D136 VanDerWaalsContact O-CG 3.31Å; T132-D136 PolarHBondContact O-N 2.7Å
133A85.5Confident86.5Confident61 Ų6164.2 Ų64.250%0.50432%0.316SS..Hα-helixtrans-61.4-35.6-179.100000113N129 R130 F137N129-A133 PolarHBondContact O-N 2.96Å; R130-A133 PolarHBondContact O-N 3.49Å; A133-F137 WeakPolarHBondContact O-CB 3.23Å; A133-F137 PolarHBondContact O-N 2.95Å
134Q84.4Confident86.9Confident82 Ų8257.3 Ų57.338%0.38329%0.289SS..Hα-helixtrans-73.6-43.9179-73.1-169.6-5400113.4Y37 R130 E131 T132 D136 F137 M138Y37-Q134 PolarHBondContact OH-NE2 2.85Å; Y37-Q134 PolarHBondContact OH-OE1 3.39Å; R130-Q134 WeakPolarHBondContact O-CG 3.26Å; R130-Q134 PolarHBondContact O-N 2.63Å; E131-Q134 PolarHBondContact O-N 2.94Å; T132-Q134 VanDerWaalsContact C-N 3.28Å; T132-Q134 PolarHBondContact O-N 3.18Å; Q134-D136 VanDerWaalsContact C-N 3.3Å; Q134-F137 PolarHBondContact O-N 3.43Å; Q134-M138 WeakPolarHBondContact O-CB 3.36Å; Q134-M138 PolarHBondContact O-N 3.29Å
135V91.3Very high87.4Confident8 Ų855 Ų555%0.04828%0.279CS..Hα-helixtrans-60.1-46.6175.1167.40000109A121 L122 Y125 E131 T132 M138 Q139 W153A121-V135 HydrophobicContact CB-CG2 4.34Å; L122-V135 HydrophobicContact CD1-CG1 3.89Å; Y125-V135 HydrophobicContact CD2-CB 3.83Å; Y125-V135 HydrophobicContact CD2-CG1 3.72Å; Y125-V135 HydrophobicContact CD2-CG2 4.38Å; Y125-V135 HydrophobicContact CE2-CB 4.08Å; Y125-V135 HydrophobicContact CE2-CG1 3.86Å; E131-V135 WeakPolarHBondContact O-CB 3.32Å; E131-V135 VanDerWaalsContact O-CG2 3.23Å; E131-V135 WeakPolarHBondContact O-CG2 3.41Å; E131-V135 PolarHBondContact O-N 3.37Å; T132-V135 PolarHBondContact O-N 2.84Å; V135-M138 PolarHBondContact O-N 2.92Å; V135-Q139 WeakPolarHBondContact O-CB 3.28Å; V135-Q139 VanDerWaalsContact O-CG 3.23Å; V135-Q139 WeakPolarHBondContact O-CG 3.2Å; V135-Q139 PolarHBondContact O-N 2.76Å; V135-Q139 PolarHBondContact O-OE1 3.31Å; V135-W153 HydrophobicContact CG1-CH2 3.96Å; V135-W153 HydrophobicContact CG1-CZ2 3.99Å
136D93.2Very high87.7Confident35 Ų3554.1 Ų54.119%0.18728%0.276CS..Hα-helixtrans-62.9-46.7178-73.4-19.7000112.5Y125 T132 Q134 M138 Q139 M140 S169Y125-D136 WeakPolarHBondContact CE2-OD1 3.32Å; Y125-D136 PolarHBondContact OH-OD1 2.89Å; Y125-D136 PolarHBondContact OH-OD2 3.45Å; T132-D136 WeakPolarHBondContact O-CB 3.23Å; T132-D136 VanDerWaalsContact O-CG 3.31Å; T132-D136 PolarHBondContact O-N 2.7Å; Q134-D136 VanDerWaalsContact C-N 3.3Å; D136-M138 VanDerWaalsContact C-N 3.34Å; D136-M138 PolarHBondContact O-N 3.14Å; D136-Q139 PolarHBondContact O-N 3.19Å; D136-M140 HydrophobicContact CB-CE 4.19Å; D136-M140 WeakPolarHBondContact O-CB 3.32Å; D136-M140 WeakPolarHBondContact O-CE 3.32Å; D136-M140 WeakPolarHBondContact O-CG 3.19Å; D136-M140 PolarHBondContact O-N 3.5Å; D136-S169 WeakPolarHBondContact OD1-CB 3.16Å; D136-S169 PolarHBondContact OD1-OG 3.02Å
137F91.2Very high88.1Confident130 Ų13053.6 Ų53.657%0.5727%0.269SS*.Hα-helixtrans-58.6-46.6176.7177.9-96.2000111.4A133 Q134 Q139 M140 Q141A133-F137 WeakPolarHBondContact O-CB 3.23Å; A133-F137 PolarHBondContact O-N 2.95Å; Q134-F137 PolarHBondContact O-N 3.43Å; F137-Q139 PolarHBondContact O-N 3Å; F137-M140 PolarHBondContact O-N 2.92Å; F137-Q141 HydrophobicContact CE1-CB 4.43Å; F137-Q141 HydrophobicContact CZ-CG 4.45Å; F137-Q141 WeakPolarHBondContact O-CB 3.43Å; F137-Q141 PolarHBondContact O-N 2.88Å
138M92.7Very high89.1Confident64 Ų6453.6 Ų53.632%0.31526%0.263SS..Hα-helixtrans-60.5-47.7178.4-178.6-17963.400111Q134 V135 D136 Q141 M142 C193Q134-M138 WeakPolarHBondContact O-CB 3.36Å; Q134-M138 PolarHBondContact O-N 3.29Å; V135-M138 PolarHBondContact O-N 2.92Å; D136-M138 VanDerWaalsContact C-N 3.34Å; D136-M138 PolarHBondContact O-N 3.14Å; M138-Q141 PolarHBondContact O-N 3.5Å; M138-M142 VanDerWaalsContact O-CB 3.31Å; M138-M142 WeakPolarHBondContact O-CB 3.16Å; M138-M142 PolarHBondContact O-N 3.32Å; M138-C193 HydrophobicContact CE-CB 3.66Å; M138-C193 HydrophobicContact CG-CB 4.17Å; M138-C193 HydrophobicContact SD-CB 3.8Å
139Q95.9Very high90.3Very high0 Ų047.6 Ų47.60%024%0.237CC..Hα-helixtrans-63-44.8-178.6-73.3174.9-65.800112.2V135 D136 F137 Q143 C144 G146 S169 C170V135-Q139 WeakPolarHBondContact O-CB 3.28Å; V135-Q139 VanDerWaalsContact O-CG 3.23Å; V135-Q139 WeakPolarHBondContact O-CG 3.2Å; V135-Q139 PolarHBondContact O-N 2.76Å; V135-Q139 PolarHBondContact O-OE1 3.31Å; D136-Q139 PolarHBondContact O-N 3.19Å; F137-Q139 PolarHBondContact O-N 3Å; Q139-Q143 WeakPolarHBondContact O-CA 3.42Å; Q139-Q143 PolarHBondContact O-N 3.39Å; Q139-C144 WeakPolarHBondContact CB-O 3.43Å; Q139-C144 WeakPolarHBondContact CG-O 3.46Å; Q139-C144 PolarHBondContact O-N 2.89Å; Q139-C144 VanDerWaalsContact O-N 3.07Å; Q139-G146 VanDerWaalsContact NE2-N 3.13Å; Q139-S169 PolarHBondContact OE1-OG 2.97Å; Q139-C170 PolarHBondContact NE2-SG 3.42Å
140M94.5Very high91.3Very high112 Ų11248.7 Ų48.755%0.55224%0.239SC*.Hα-helixtrans-66.2-45.2176.8-71.1-174.3-71.300112.1D136 F137 Q143D136-M140 HydrophobicContact CB-CE 4.19Å; D136-M140 WeakPolarHBondContact O-CB 3.32Å; D136-M140 WeakPolarHBondContact O-CE 3.32Å; D136-M140 WeakPolarHBondContact O-CG 3.19Å; D136-M140 PolarHBondContact O-N 3.5Å; F137-M140 PolarHBondContact O-N 2.92Å; M140-Q143 PolarHBondContact O-N 3.07Å
141Q94.3Very high92.3Very high125 Ų12550.9 Ų50.958%0.58426%0.255SS*.Hα-helixtrans-70-40.6-174.9-175.362.412.800112.1F137 M138F137-Q141 HydrophobicContact CE1-CB 4.43Å; F137-Q141 HydrophobicContact CZ-CG 4.45Å; F137-Q141 WeakPolarHBondContact O-CB 3.43Å; F137-Q141 PolarHBondContact O-N 2.88Å; M138-Q141 PolarHBondContact O-N 3.5Å
142M93.8Very high92.9Very high43 Ų4351.3 Ų51.321%0.21226%0.257CS..Hα-helixtrans-91.6-5.5-180-67.7-70.9-72.800112.4M138 C144 K196 W197 L200M138-M142 VanDerWaalsContact O-CB 3.31Å; M138-M142 WeakPolarHBondContact O-CB 3.16Å; M138-M142 PolarHBondContact O-N 3.32Å; M142-C144 WeakPolarHBondContact CB-SG 3.31Å; M142-K196 VanDerWaalsContact O-CD 3.23Å; M142-K196 WeakPolarHBondContact O-CD 3.33Å; M142-K196 WeakPolarHBondContact O-CE 3.4Å; M142-K196 PolarHBondContact O-NZ 2.03Å; M142-W197 HydrophobicContact CE-CB 4.07Å; M142-W197 HydrophobicContact CE-CE3 3.9Å; M142-L200 HydrophobicContact CE-CD2 4.29Å
143Q95.7Very high93.3Very high84 Ų8450.5 Ų50.539%0.39325%0.253SS..THydrogen-bonded Turntrans49.956.7-173.6-57.1-174.8-63.800111.4Q139 M140 N189 K196Q139-Q143 WeakPolarHBondContact O-CA 3.42Å; Q139-Q143 PolarHBondContact O-N 3.39Å; M140-Q143 PolarHBondContact O-N 3.07Å; Q143-N189 VanDerWaalsContact C-CG 3.42Å; Q143-N189 WeakPolarHBondContact O-CB 3.2Å; Q143-N189 VanDerWaalsContact O-CG 3.31Å; Q143-N189 PolarHBondContact O-OD1 2.89Å; Q143-K196 PolarHBondContact O-NZ 2.92Å
144C96.9Very high93.7Very high0 Ų050.7 Ų50.70%025%0.249CC..  trans-133.2168.7-178.252.10000109.7Q139 M142 D191 C193 K196Q139-C144 WeakPolarHBondContact CB-O 3.43Å; Q139-C144 WeakPolarHBondContact CG-O 3.46Å; Q139-C144 PolarHBondContact O-N 2.89Å; Q139-C144 VanDerWaalsContact O-N 3.07Å; M142-C144 WeakPolarHBondContact CB-SG 3.31Å; C144-D191 CarbonylContact C-O 3.05Å; C144-D191 VanDerWaalsContact CA-O 3.25Å; C144-D191 WeakPolarHBondContact CA-O 3.45Å; C144-D191 VanDerWaalsContact CB-O 3.23Å; C144-D191 WeakPolarHBondContact CB-O 3.44Å; C144-C193 HydrophobicContact CB-CB 3.91Å; C144-C193 WeakPolarHBondContact CB-SG 3.23Å; C144-C193 WeakPolarHBondContact SG-CA 3.37Å; C144-C193 WeakPolarHBondContact SG-CB 3.16Å; C144-C193 CovalentContact SG-SG 2.02Å; C144-C193 PolarHBondContact SG-SG 2.84Å; C144-K196 HydrophobicContact CB-CD 4.25Å
145C96.4Very high94.1Very high0 Ų053.2 Ų53.20%026%0.264CS..  trans-138.8130.6176.2-171.90000111.8N149 Y150 W153 C170 N189 D191 G192C145-N149 CarbonylContact O-C 3.12Å; C145-Y150 WeakPolarHBondContact O-CA 3.37Å; C145-Y150 PolarHBondContact O-N 3.17Å; C145-Y150 VanDerWaalsContact O-N 3.09Å; C145-W153 VanDerWaalsContact SG-CD1 3.51Å; C145-W153 PolarHBondContact SG-NE1 3.23Å; C145-C170 HydrophobicContact CB-CB 3.6Å; C145-C170 WeakPolarHBondContact CB-SG 3.27Å; C145-C170 WeakPolarHBondContact SG-CB 3.38Å; C145-C170 CovalentContact SG-SG 2.03Å; C145-C170 PolarHBondContact SG-SG 2.94Å; C145-N189 WeakPolarHBondContact CB-O 3.22Å; C145-D191 PolarHBondContact N-O 3.48Å; C145-G192 WeakPolarHBondContact O-CA 3.28Å
146G94.7Very high94.1Very high1 Ų153.3 Ų53.31%0.0127%0.265CS..SBendtrans66.8-174.9-171.600000112Q139 C193Q139-G146 VanDerWaalsContact NE2-N 3.13Å; G146-C193 PolarHBondContact O-N 2.89Å; G146-C193 PolarHBondContact O-SG 3.23Å
147F91.9Very high94Very high8 Ų853.4 Ų53.44%0.03527%0.267CS..SBendtrans-90.9-55.4-176.1-179.2-105000111.6I114 V115 S118 M119 D152 G192 C193 Y194 P195I114-F147 HydrophobicContact CG2-CE2 4.41Å; I114-F147 HydrophobicContact CG2-CZ 4.14Å; V115-F147 VanDerWaalsContact CA-CE1 3.48Å; V115-F147 HydrophobicContact CB-CE1 3.83Å; V115-F147 HydrophobicContact CB-CZ 4.31Å; V115-F147 HydrophobicContact CG1-CD1 4.44Å; V115-F147 HydrophobicContact CG1-CE1 3.87Å; V115-F147 HydrophobicContact CG2-CE1 3.67Å; V115-F147 HydrophobicContact CG2-CZ 4.07Å; S118-F147 WeakPolarHBondContact OG-CE2 3.41Å; M119-F147 HydrophobicContact CE-CB 4.03Å; M119-F147 HydrophobicContact CE-CD1 3.91Å; M119-F147 HydrophobicContact CE-CG 4.45Å; M119-F147 HydrophobicContact CG-CD1 4.36Å; M119-F147 HydrophobicContact SD-CB 3.93Å; M119-F147 HydrophobicContact SD-CD1 4.32Å; M119-F147 HydrophobicContact SD-CG 4.48Å; F147-D152 PolarHBondContact N-OD2 3.5Å; F147-G192 CarbonylContact O-C 3.58Å; F147-G192 WeakPolarHBondContact O-CA 3.4Å; F147-C193 PolarHBondContact O-N 3.3Å; F147-C193 VanDerWaalsContact O-N 3.08Å; F147-Y194 HydrophobicContact CE1-CD1 4.27Å; F147-Y194 HydrophobicContact CE1-CD2 4.2Å; F147-Y194 AromaticContact CE1-CG 3.79Å; F147-Y194 HydrophobicContact CE1-CG 3.79Å; F147-Y194 HydrophobicContact CE2-CD2 4Å; F147-Y194 HydrophobicContact CE2-CG 4.07Å; F147-Y194 VanDerWaalsContact CZ-CB 3.42Å; F147-Y194 HydrophobicContact CZ-CD1 4.32Å; F147-Y194 AromaticContact CZ-CD2 3.45Å; F147-Y194 HydrophobicContact CZ-CD2 3.45Å; F147-Y194 VanDerWaalsContact CZ-CD2 3.45Å; F147-Y194 HydrophobicContact CZ-CE2 4.3Å; F147-Y194 AromaticContact CZ-CG 3.47Å; F147-Y194 HydrophobicContact CZ-CG 3.47Å; F147-Y194 VanDerWaalsContact CZ-CG 3.47Å; F147-Y194 VanDerWaalsContact O-CB 3.23Å; F147-Y194 WeakPolarHBondContact O-CB 3.34Å; F147-Y194 PolarHBondContact O-N 2.83Å; F147-P195 WeakPolarHBondContact O-CD 3.4Å
148K93.3Very high94.1Very high111 Ų11148.5 Ų48.548%0.48325%0.245SC..SBendtrans-91.1-38.6172.9-66.8177.4-175.4174.10111.4M119 D152 G192M119-K148 HydrophobicContact CE-CB 4.46Å; M119-K148 HydrophobicContact CE-CD 3.92Å; M119-K148 HydrophobicContact CE-CG 3.93Å; K148-D152 WeakPolarHBondContact CA-OD2 3.44Å; K148-D152 PolarHBondContact N-OD2 2.87Å; K148-G192 WeakPolarHBondContact O-CA 3.01Å; K148-G192 PolarHBondContact O-N 2.84Å
149N94.6Very high94.1Very high62 Ų6246.1 Ų46.133%0.33224%0.235SC..BIsolated β-bridgetrans-161.8159.9-175.9-158.6-51.8000110.6C145 T151 D152 L190C145-N149 CarbonylContact O-C 3.12Å; N149-T151 PolarHBondContact O-N 2.95Å; N149-T151 VanDerWaalsContact O-N 3.1Å; N149-T151 PolarHBondContact OD1-N 3.33Å; N149-D152 PolarHBondContact N-OD2 3.46Å; N149-D152 VanDerWaalsContact O-CB 3.32Å; N149-D152 WeakPolarHBondContact O-CB 3.35Å; N149-D152 PolarHBondContact O-N 2.95Å; N149-D152 VanDerWaalsContact O-OD2 3.1Å; N149-L190 PolarHBondContact OD1-O 2.02Å
150Y94.6Very high93.9Very high52 Ų5254.2 Ų54.220%0.20427%0.273CS..G310 helixtrans-58-24.6172.980.5-82.9000112.2C145 D152 W153 M182 L190C145-Y150 WeakPolarHBondContact O-CA 3.37Å; C145-Y150 PolarHBondContact O-N 3.17Å; C145-Y150 VanDerWaalsContact O-N 3.09Å; Y150-D152 PolarHBondContact O-N 3.16Å; Y150-W153 PolarHBondContact O-N 3.02Å; Y150-M182 HydrophobicContact CD2-CE 3.49Å; Y150-M182 VanDerWaalsContact CD2-CE 3.49Å; Y150-M182 HydrophobicContact CD2-CG 4.5Å; Y150-M182 HydrophobicContact CE2-CB 4.49Å; Y150-M182 HydrophobicContact CE2-CE 3.6Å; Y150-L190 HydrophobicContact CD1-CB 4.02Å; Y150-L190 HydrophobicContact CD1-CD2 3.81Å; Y150-L190 HydrophobicContact CE1-CB 4.4Å; Y150-L190 HydrophobicContact CE1-CD2 3.94Å; Y150-L190 HydrophobicContact CG-CD2 4.22Å; Y150-L190 PolarHBondContact N-O 3.32Å
151T95.1Very high93.7Very high66 Ų6656.1 Ų56.141%0.40527%0.274SS..G310 helixtrans-70.5-0.1174.863.50000114.5N149 W153 P154N149-T151 PolarHBondContact O-N 2.95Å; N149-T151 VanDerWaalsContact O-N 3.1Å; N149-T151 PolarHBondContact OD1-N 3.33Å; T151-W153 VanDerWaalsContact C-N 3.31Å; T151-P154 WeakPolarHBondContact O-CD 3.34Å
152D94.3Very high93.7Very high16 Ų1653.9 Ų53.99%0.08626%0.263CS..G310 helixtrans-73.4-26.6171.1-62.8-27.4000111.5L122 F147 K148 N149 Y150 L155L122-D152 HydrophobicContact CD2-CB 3.75Å; F147-D152 PolarHBondContact N-OD2 3.5Å; K148-D152 WeakPolarHBondContact CA-OD2 3.44Å; K148-D152 PolarHBondContact N-OD2 2.87Å; N149-D152 PolarHBondContact N-OD2 3.46Å; N149-D152 VanDerWaalsContact O-CB 3.32Å; N149-D152 WeakPolarHBondContact O-CB 3.35Å; N149-D152 PolarHBondContact O-N 2.95Å; N149-D152 VanDerWaalsContact O-OD2 3.1Å; Y150-D152 PolarHBondContact O-N 3.16Å; D152-L155 WeakPolarHBondContact O-CB 3.34Å; D152-L155 PolarHBondContact O-N 2.73Å
153W95.2Very high93.6Very high0 Ų056.4 Ų56.40%028%0.283CS..G310 helixtrans-59.9-44-176.5-77.9107.5000114.9L122 Y125 V135 C145 Y150 T151 L155 T156 W158 S159 V166 P167 C170L122-W153 HydrophobicContact CD1-CD2 4.41Å; L122-W153 HydrophobicContact CD1-CE3 4.38Å; L122-W153 HydrophobicContact CD1-CH2 3.4Å; L122-W153 VanDerWaalsContact CD1-CH2 3.4Å; L122-W153 HydrophobicContact CD1-CZ2 3.46Å; L122-W153 VanDerWaalsContact CD1-CZ2 3.46Å; L122-W153 HydrophobicContact CD1-CZ3 3.91Å; L122-W153 HydrophobicContact CG-CH2 4.46Å; Y125-W153 AromaticContact CD1-CH2 3.71Å; Y125-W153 HydrophobicContact CD1-CH2 3.71Å; Y125-W153 AromaticContact CD1-CZ3 3.52Å; Y125-W153 HydrophobicContact CD1-CZ3 3.52Å; Y125-W153 AromaticContact CD2-CH2 3.67Å; Y125-W153 HydrophobicContact CD2-CH2 3.67Å; Y125-W153 HydrophobicContact CD2-CZ3 4.26Å; Y125-W153 AromaticContact CE1-CH2 3.93Å; Y125-W153 HydrophobicContact CE1-CH2 3.93Å; Y125-W153 AromaticContact CE1-CZ3 3.99Å; Y125-W153 HydrophobicContact CE1-CZ3 3.99Å; Y125-W153 AromaticContact CE2-CH2 3.88Å; Y125-W153 HydrophobicContact CE2-CH2 3.88Å; Y125-W153 AromaticContact CG-CH2 3.59Å; Y125-W153 HydrophobicContact CG-CH2 3.59Å; Y125-W153 AromaticContact CG-CZ3 3.69Å; Y125-W153 HydrophobicContact CG-CZ3 3.69Å; V135-W153 HydrophobicContact CG1-CH2 3.96Å; V135-W153 HydrophobicContact CG1-CZ2 3.99Å; C145-W153 VanDerWaalsContact SG-CD1 3.51Å; C145-W153 PolarHBondContact SG-NE1 3.23Å; Y150-W153 PolarHBondContact O-N 3.02Å; T151-W153 VanDerWaalsContact C-N 3.31Å; W153-L155 PolarHBondContact O-N 3.4Å; W153-T156 HydrophobicContact CE3-CG2 4.05Å; W153-T156 HydrophobicContact CZ3-CG2 4.41Å; W153-T156 WeakPolarHBondContact O-CB 3.4Å; W153-T156 PolarHBondContact O-N 3.07Å; W153-T156 PolarHBondContact O-OG1 3.31Å; W153-W158 AromaticContact CE3-CE3 3.83Å; W153-W158 HydrophobicContact CE3-CE3 3.83Å; W153-W158 HydrophobicContact CE3-CZ3 4.31Å; W153-W158 HydrophobicContact CZ3-CD2 4.4Å; W153-W158 HydrophobicContact CZ3-CE3 4.14Å; W153-S159 VanDerWaalsContact O-CB 3.3Å; W153-S159 WeakPolarHBondContact O-CB 3.5Å; W153-V166 HydrophobicContact CB-CG1 3.85Å; W153-V166 HydrophobicContact CG-CB 4.07Å; W153-V166 HydrophobicContact CG-CG1 3.7Å; W153-P167 VanDerWaalsContact CD2-CD 3.42Å; W153-P167 HydrophobicContact CD2-CG 4.17Å; W153-P167 HydrophobicContact CE3-CG 4.02Å; W153-P167 HydrophobicContact CH2-CG 3.26Å; W153-P167 HydrophobicContact CZ2-CB 4.49Å; W153-P167 HydrophobicContact CZ2-CG 3.39Å; W153-P167 HydrophobicContact CZ3-CG 3.58Å; W153-C170 PolarHBondContact NE1-SG 3.29Å; W153-C170 VanDerWaalsContact NE1-SG 3.4Å
154P94Very high93.5Very high66 Ų6654.4 Ų54.443%0.42929%0.285SS..G310 helixtrans-56.2-20.8173.9-28.435.3000115.1T151 T156 M182T151-P154 WeakPolarHBondContact O-CD 3.34Å; P154-T156 VanDerWaalsContact C-N 3.31Å; P154-M182 HydrophobicContact CG-CE 3.56Å; P154-M182 HydrophobicContact CG-SD 3.64Å
155L92.3Very high93.4Very high135 Ų13555.1 Ų55.171%0.70729%0.29SS*.G310 helixtrans-85.5-7.2179.2-52.5176.4000112.5D152 W153D152-L155 WeakPolarHBondContact O-CB 3.34Å; D152-L155 PolarHBondContact O-N 2.73Å; W153-L155 PolarHBondContact O-N 3.4Å
156T92.2Very high93.4Very high9 Ų955.3 Ų55.36%0.05529%0.291CS..SBendtrans-88.7149.7-17869.20000111.6L122 W153 P154 W158 S159L122-T156 HydrophobicContact CD2-CG2 4.01Å; L122-T156 HydrophobicContact CG-CG2 3.75Å; W153-T156 HydrophobicContact CE3-CG2 4.05Å; W153-T156 HydrophobicContact CZ3-CG2 4.41Å; W153-T156 WeakPolarHBondContact O-CB 3.4Å; W153-T156 PolarHBondContact O-N 3.07Å; W153-T156 PolarHBondContact O-OG1 3.31Å; P154-T156 VanDerWaalsContact C-N 3.31Å; T156-W158 PolarHBondContact O-N 3.46Å; T156-S159 PolarHBondContact O-N 3.48Å; T156-S159 VanDerWaalsContact O-N 3.15Å; T156-S159 PolarHBondContact OG1-N 3.37Å
157P91.6Very high93.4Very high38 Ų3855.5 Ų55.525%0.24729%0.292CS..THydrogen-bonded Turntrans-57.4-31.3170.5-24.134.7000112.6Y123 S159 Q160Y123-P157 HydrophobicContact CD1-CG 3.86Å; Y123-P157 HydrophobicContact CD2-CG 3.97Å; Y123-P157 HydrophobicContact CE1-CG 3.51Å; Y123-P157 HydrophobicContact CE2-CG 3.63Å; Y123-P157 HydrophobicContact CG-CG 4.08Å; Y123-P157 WeakPolarHBondContact O-CD 3.42Å; P157-S159 PolarHBondContact O-N 3.41Å; P157-Q160 WeakPolarHBondContact O-CB 3.45Å; P157-Q160 WeakPolarHBondContact O-CG 3.47Å; P157-Q160 PolarHBondContact O-N 3.08Å; P157-Q160 VanDerWaalsContact O-N 3.1Å
158W92.2Very high93.5Very high26 Ų2661.5 Ų61.510%0.09832%0.32CS..Hα-helixtrans-57.8-36.4177.7-17883000112.9Y125 W153 T156 Q160 R161 H162 P167Y125-W158 HydrophobicContact CD1-CB 4.11Å; Y125-W158 AromaticContact CD1-CD1 3.6Å; Y125-W158 HydrophobicContact CD1-CD2 4.06Å; Y125-W158 AromaticContact CD1-CG 3.65Å; Y125-W158 HydrophobicContact CD1-CG 3.65Å; Y125-W158 AromaticContact CD1-NE1 3.91Å; Y125-W158 AromaticContact CE1-CD1 3.87Å; Y125-W158 HydrophobicContact CE1-CD2 4.13Å; Y125-W158 AromaticContact CE1-CE2 3.87Å; Y125-W158 HydrophobicContact CE1-CG 4.12Å; Y125-W158 HydrophobicContact CE1-CZ2 4.49Å; Y125-W158 AromaticContact CE1-NE1 3.67Å; W153-W158 AromaticContact CE3-CE3 3.83Å; W153-W158 HydrophobicContact CE3-CE3 3.83Å; W153-W158 HydrophobicContact CE3-CZ3 4.31Å; W153-W158 HydrophobicContact CZ3-CD2 4.4Å; W153-W158 HydrophobicContact CZ3-CE3 4.14Å; T156-W158 PolarHBondContact O-N 3.46Å; W158-Q160 PolarHBondContact O-N 3.23Å; W158-R161 PolarHBondContact O-N 2.86Å; W158-R161 VanDerWaalsContact O-N 3.1Å; W158-H162 AromaticContact CD1-ND1 3.83Å; W158-H162 HydrophobicContact CD2-CB 4.25Å; W158-H162 AromaticContact CD2-ND1 3.69Å; W158-H162 AromaticContact CE2-CE1 3.71Å; W158-H162 AromaticContact CE2-CG 3.65Å; W158-H162 AromaticContact CE2-ND1 3.2Å; W158-H162 HydrophobicContact CE3-CB 4.01Å; W158-H162 HydrophobicContact CH2-CB 3.48Å; W158-H162 VanDerWaalsContact CH2-CB 3.48Å; W158-H162 AromaticContact CH2-CG 3.71Å; W158-H162 HydrophobicContact CZ2-CB 3.75Å; W158-H162 AromaticContact CZ2-CD2 3.85Å; W158-H162 AromaticContact CZ2-CE1 3.92Å; W158-H162 AromaticContact CZ2-CG 3.41Å; W158-H162 VanDerWaalsContact CZ2-CG 3.41Å; W158-H162 AromaticContact CZ2-ND1 3.47Å; W158-H162 WeakPolarHBondContact CZ2-ND1 3.17Å; W158-H162 HydrophobicContact CZ3-CB 3.62Å; W158-H162 AromaticContact NE1-CE1 3.45Å; W158-H162 PolarHBondContact NE1-CE1 2.95Å; W158-H162 AromaticContact NE1-ND1 3.31Å; W158-H162 PolarHBondContact NE1-ND1 3.1Å; W158-H162 PolarHBondContact O-N 3.06Å; W158-H162 PolarHBondContact O-ND1 2.75Å; W158-P167 HydrophobicContact CH2-CG 4.05Å; W158-P167 HydrophobicContact CZ2-CG 4.21Å; W158-P167 HydrophobicContact CZ3-CG 4.22Å
159S92.8Very high93.6Very high15 Ų1556.6 Ų56.611%0.10530%0.3CS..Hα-helixtrans-65-20.8179.4-174.10000113.2W153 T156 P157 R161 H162 P163W153-S159 VanDerWaalsContact O-CB 3.3Å; W153-S159 WeakPolarHBondContact O-CB 3.5Å; T156-S159 PolarHBondContact O-N 3.48Å; T156-S159 VanDerWaalsContact O-N 3.15Å; T156-S159 PolarHBondContact OG1-N 3.37Å; P157-S159 PolarHBondContact O-N 3.41Å; S159-R161 PolarHBondContact O-N 3.45Å; S159-H162 CarbonylContact O-C 3.44Å; S159-H162 PolarHBondContact O-N 3.39Å; S159-H162 VanDerWaalsContact O-N 3.13Å; S159-P163 WeakPolarHBondContact O-CA 3.26Å
160Q91.3Very high93.7Very high170 Ų17053.7 Ų53.779%0.79428%0.284SS*.Hα-helixtrans-63.1-34.7174.3-60.9-179.34.500112P157 W158P157-Q160 WeakPolarHBondContact O-CB 3.45Å; P157-Q160 WeakPolarHBondContact O-CG 3.47Å; P157-Q160 PolarHBondContact O-N 3.08Å; P157-Q160 VanDerWaalsContact O-N 3.1Å; W158-Q160 PolarHBondContact O-N 3.23Å
161R91.1Very high93.7Very high152 Ų15252.4 Ų52.457%0.57428%0.283SS*.Hα-helixtrans-84.3-22174.7-68.3-174.6-84179.8-6.8112.3D127 W158 S159D127-R161 IonicContact OD1-CZ 2.73Å; D127-R161 IonicContact OD1-NH1 3.63Å; D127-R161 IonicContact OD1-NH2 3.48Å; D127-R161 PolarHBondContact OD1-NH2 2.89Å; W158-R161 PolarHBondContact O-N 2.86Å; W158-R161 VanDerWaalsContact O-N 3.1Å; S159-R161 PolarHBondContact O-N 3.45Å
162H92.9Very high93.8Very high77 Ų7753.3 Ų53.336%0.35628%0.281SS..SBendtrans-132.267.9-175.1-55.190000110.9W158 S159 G164 S165W158-H162 AromaticContact CD1-ND1 3.83Å; W158-H162 HydrophobicContact CD2-CB 4.25Å; W158-H162 AromaticContact CD2-ND1 3.69Å; W158-H162 AromaticContact CE2-CE1 3.71Å; W158-H162 AromaticContact CE2-CG 3.65Å; W158-H162 AromaticContact CE2-ND1 3.2Å; W158-H162 HydrophobicContact CE3-CB 4.01Å; W158-H162 HydrophobicContact CH2-CB 3.48Å; W158-H162 VanDerWaalsContact CH2-CB 3.48Å; W158-H162 AromaticContact CH2-CG 3.71Å; W158-H162 HydrophobicContact CZ2-CB 3.75Å; W158-H162 AromaticContact CZ2-CD2 3.85Å; W158-H162 AromaticContact CZ2-CE1 3.92Å; W158-H162 AromaticContact CZ2-CG 3.41Å; W158-H162 VanDerWaalsContact CZ2-CG 3.41Å; W158-H162 AromaticContact CZ2-ND1 3.47Å; W158-H162 WeakPolarHBondContact CZ2-ND1 3.17Å; W158-H162 HydrophobicContact CZ3-CB 3.62Å; W158-H162 AromaticContact NE1-CE1 3.45Å; W158-H162 PolarHBondContact NE1-CE1 2.95Å; W158-H162 AromaticContact NE1-ND1 3.31Å; W158-H162 PolarHBondContact NE1-ND1 3.1Å; W158-H162 PolarHBondContact O-N 3.06Å; W158-H162 PolarHBondContact O-ND1 2.75Å; S159-H162 CarbonylContact O-C 3.44Å; S159-H162 PolarHBondContact O-N 3.39Å; S159-H162 VanDerWaalsContact O-N 3.13Å; H162-G164 PolarHBondContact O-N 3.4Å; H162-S165 PolarHBondContact O-N 2.92Å
163P93.3Very high93.6Very high96 Ų9662.9 Ų62.962%0.62332%0.316SS*.THydrogen-bonded Turntrans-67.5132.4-17426.7-34.2000111.1S159 S165S159-P163 WeakPolarHBondContact O-CA 3.26Å; P163-S165 PolarHBondContact O-N 3.45Å
164G93.7Very high93.2Very high43 Ų4366.6 Ų66.644%0.44335%0.354SS..THydrogen-bonded Turntrans70.517179.500000114.4H162 M182H162-G164 PolarHBondContact O-N 3.4Å; G164-M182 WeakPolarHBondContact O-CB 3.31Å; G164-M182 WeakPolarHBondContact O-CG 3.11Å; G164-M182 PolarHBondContact O-N 3.04Å
165S95.2Very high92.9Very high15 Ų1564.7 Ų64.711%0.10534%0.344CS..BIsolated β-bridgetrans-121.8160.6-179.5-54.20000111.9H162 P163 G180 W181H162-S165 PolarHBondContact O-N 2.92Å; P163-S165 PolarHBondContact O-N 3.45Å; S165-G180 CarbonylContact C-O 3.42Å; S165-G180 WeakPolarHBondContact CA-O 3.31Å; S165-W181 WeakPolarHBondContact OG-CZ3 3.31Å
166V95.8Very high92.4Very high4 Ų463.7 Ų63.72%0.02435%0.346CS..  trans-123.2159.7166.7-58.70000108.5W153 C170 G180 M182 L188W153-V166 HydrophobicContact CB-CG1 3.85Å; W153-V166 HydrophobicContact CG-CB 4.07Å; W153-V166 HydrophobicContact CG-CG1 3.7Å; V166-C170 HydrophobicContact CB-CB 4.18Å; V166-C170 HydrophobicContact CG2-CB 3.57Å; V166-G180 WeakPolarHBondContact CG2-O 3.33Å; V166-G180 PolarHBondContact N-O 3.36Å; V166-M182 HydrophobicContact CG1-CE 4.38Å; V166-M182 HydrophobicContact CG1-CG 3.71Å; V166-M182 HydrophobicContact CG1-SD 4.24Å; V166-L188 HydrophobicContact CG2-CD1 3.86Å; V166-L188 HydrophobicContact CG2-CD2 3.59Å; V166-L188 HydrophobicContact CG2-CG 4.38Å
167P94.8Very high92.1Very high4 Ų466.5 Ų66.53%0.02637%0.37CS..  trans-63157.4176.4-25.436.6000113.5Y125 W153 W158 S169 C170Y125-P167 HydrophobicContact CD1-CG 4.27Å; Y125-P167 HydrophobicContact CE1-CB 4.11Å; Y125-P167 HydrophobicContact CE1-CG 3.42Å; Y125-P167 VanDerWaalsContact CE1-CG 3.42Å; Y125-P167 HydrophobicContact CE2-CG 4.26Å; Y125-P167 VanDerWaalsContact CZ-CG 3.44Å; Y125-P167 WeakPolarHBondContact OH-CB 3.44Å; Y125-P167 WeakPolarHBondContact OH-CG 3.38Å; W153-P167 VanDerWaalsContact CD2-CD 3.42Å; W153-P167 HydrophobicContact CD2-CG 4.17Å; W153-P167 HydrophobicContact CE3-CG 4.02Å; W153-P167 HydrophobicContact CH2-CG 3.26Å; W153-P167 HydrophobicContact CZ2-CB 4.49Å; W153-P167 HydrophobicContact CZ2-CG 3.39Å; W153-P167 HydrophobicContact CZ3-CG 3.58Å; W158-P167 HydrophobicContact CH2-CG 4.05Å; W158-P167 HydrophobicContact CZ2-CG 4.21Å; W158-P167 HydrophobicContact CZ3-CG 4.22Å; P167-S169 PolarHBondContact O-N 3.32Å; P167-S169 VanDerWaalsContact O-N 3.14Å; P167-C170 VanDerWaalsContact O-CB 3.27Å; P167-C170 WeakPolarHBondContact O-CB 3.05Å; P167-C170 PolarHBondContact O-N 2.73Å
168Q93.5Very high92.2Very high135 Ų13565.4 Ų65.463%0.63136%0.363SS*.G310 helixtrans-62-23.9179.7-67.4-144.7-28.600113.5C170 C171Q168-C170 PolarHBondContact O-N 3.45Å; Q168-C171 WeakPolarHBondContact O-CB 3.49Å; Q168-C171 PolarHBondContact O-N 3.45Å; Q168-C171 PolarHBondContact O-SG 3.31Å; Q168-C171 VanDerWaalsContact O-SG 3.39Å
169S94.8Very high92.2Very high8 Ų870.4 Ų70.46%0.05639%0.386CS..G310 helixtrans-61.9-19.7173.556.70000113.7D136 Q139 P167 C171D136-S169 WeakPolarHBondContact OD1-CB 3.16Å; D136-S169 PolarHBondContact OD1-OG 3.02Å; Q139-S169 PolarHBondContact OE1-OG 2.97Å; P167-S169 PolarHBondContact O-N 3.32Å; P167-S169 VanDerWaalsContact O-N 3.14Å; S169-C171 VanDerWaalsContact C-N 3.3Å
170C96.4Very high92.2Very high0 Ų069.7 Ų69.70%038%0.381CS..G310 helixtrans-74.4-15.9171.9-72.20000114.4Q139 C145 W153 V166 P167 Q168 L188 N189Q139-C170 PolarHBondContact NE2-SG 3.42Å; C145-C170 HydrophobicContact CB-CB 3.6Å; C145-C170 WeakPolarHBondContact CB-SG 3.27Å; C145-C170 WeakPolarHBondContact SG-CB 3.38Å; C145-C170 CovalentContact SG-SG 2.03Å; C145-C170 PolarHBondContact SG-SG 2.94Å; W153-C170 PolarHBondContact NE1-SG 3.29Å; W153-C170 VanDerWaalsContact NE1-SG 3.4Å; V166-C170 HydrophobicContact CB-CB 4.18Å; V166-C170 HydrophobicContact CG2-CB 3.57Å; P167-C170 VanDerWaalsContact O-CB 3.27Å; P167-C170 WeakPolarHBondContact O-CB 3.05Å; P167-C170 PolarHBondContact O-N 2.73Å; Q168-C170 PolarHBondContact O-N 3.45Å; C170-L188 HydrophobicContact CB-CD2 4.13Å; C170-N189 PolarHBondContact O-N 3.04Å; C170-N189 PolarHBondContact O-ND2 3.49Å
171C96.3Very high92.4Very high25 Ų2567.5 Ų67.517%0.16937%0.365CS..BIsolated β-bridgetrans-65.5143.8-176.1-68.80000111.7Q168 S169 C178 N189Q168-C171 WeakPolarHBondContact O-CB 3.49Å; Q168-C171 PolarHBondContact O-N 3.45Å; Q168-C171 PolarHBondContact O-SG 3.31Å; Q168-C171 VanDerWaalsContact O-SG 3.39Å; S169-C171 VanDerWaalsContact C-N 3.3Å; C171-C178 HydrophobicContact CB-CB 3.6Å; C171-C178 WeakPolarHBondContact CB-SG 3.25Å; C171-C178 WeakPolarHBondContact SG-CB 3.33Å; C171-C178 CovalentContact SG-SG 2.03Å; C171-C178 PolarHBondContact SG-SG 3.26Å; C171-N189 PolarHBondContact O-ND2 3.46Å; C171-N189 VanDerWaalsContact O-ND2 3.16Å
172K95.5Very high92.4Very high86 Ų8661.7 Ų61.737%0.37435%0.345SS..PPolyproline II helixtrans-63.6140.8171.2-74.3174.6-176.7162.70109.7G174 A175 S186 T187 L188 N189K172-G174 PolarHBondContact O-N 3.37Å; K172-A175 HydrophobicContact CB-CB 4.1Å; K172-A175 WeakPolarHBondContact O-CB 3Å; K172-A175 PolarHBondContact O-N 2.93Å; K172-A175 VanDerWaalsContact O-N 3.07Å; K172-S186 PolarHBondContact NZ-O 2.95Å; K172-T187 WeakPolarHBondContact CB-O 3.35Å; K172-T187 WeakPolarHBondContact CG-O 3.46Å; K172-T187 PolarHBondContact N-O 3.22Å; K172-L188 WeakPolarHBondContact CE-O 3.38Å; K172-N189 WeakPolarHBondContact CG-OD1 2.98Å
173R90.7Very high92.4Very high216 Ų21664.6 Ų64.682%0.81536%0.363SS*.THydrogen-bonded Turntrans-64.3122.2178.1-150.4178.6-155.5166.57.2109.4A175R173-A175 VanDerWaalsContact C-N 3.35Å
174G86.7Confident92.3Very high78 Ų7863.3 Ų63.380%0.80435%0.349SS*.THydrogen-bonded Turntrans809.6-177.600000115K172 P176K172-G174 PolarHBondContact O-N 3.37Å; G174-P176 WeakPolarHBondContact O-CD 3.5Å
175A87.3Confident92.2Very high27 Ų2764.1 Ų64.122%0.22335%0.345CS..  trans-65.3122.3170.300000110K172 R173 A177 C178 T187K172-A175 HydrophobicContact CB-CB 4.1Å; K172-A175 WeakPolarHBondContact O-CB 3Å; K172-A175 PolarHBondContact O-N 2.93Å; K172-A175 VanDerWaalsContact O-N 3.07Å; R173-A175 VanDerWaalsContact C-N 3.35Å; A175-A177 PolarHBondContact O-N 3.43Å; A175-C178 HydrophobicContact CB-CB 4.17Å; A175-T187 HydrophobicContact CB-CG2 4.36Å
176P82.4Confident92.1Very high113 Ų11367.5 Ų67.573%0.73437%0.369SS*.THydrogen-bonded Turntrans-67.3129.5174.526.9-31.2000109.4G174 C178G174-P176 WeakPolarHBondContact O-CD 3.5Å; P176-C178 PolarHBondContact O-N 3.17Å
177A87.2Confident92Very high68 Ų6867.9 Ų67.956%0.56237%0.371SS*.THydrogen-bonded Turntrans54.347173.600000115.6A175 F179A175-A177 PolarHBondContact O-N 3.43Å; A177-F179 HydrophobicContact CB-CE2 3.95Å; A177-F179 HydrophobicContact CB-CZ 4.28Å; A177-F179 WeakPolarHBondContact O-CD2 3.09Å; A177-F179 WeakPolarHBondContact O-CE2 3.02Å; A177-F179 PolarHBondContact O-N 2.86Å
178C93.1Very high92Very high16 Ų1667.7 Ų67.711%0.10837%0.37CS..  trans-78.4111.5171.7-175.60000111.3C171 A175 P176C171-C178 HydrophobicContact CB-CB 3.6Å; C171-C178 WeakPolarHBondContact CB-SG 3.25Å; C171-C178 WeakPolarHBondContact SG-CB 3.33Å; C171-C178 CovalentContact SG-SG 2.03Å; C171-C178 PolarHBondContact SG-SG 3.26Å; A175-C178 HydrophobicContact CB-CB 4.17Å; P176-C178 PolarHBondContact O-N 3.17Å
179F92Very high92.1Very high131 Ų13162.1 Ų62.158%0.57535%0.345SS*.  trans-96.1-3.5177.7-62.1-75.8000113.6A177 W181A177-F179 HydrophobicContact CB-CE2 3.95Å; A177-F179 HydrophobicContact CB-CZ 4.28Å; A177-F179 WeakPolarHBondContact O-CD2 3.09Å; A177-F179 WeakPolarHBondContact O-CE2 3.02Å; A177-F179 PolarHBondContact O-N 2.86Å; F179-W181 HydrophobicContact CB-CG 4.43Å; F179-W181 VanDerWaalsContact CB-NE1 3.28Å; F179-W181 AromaticContact CG-NE1 3.9Å
180G92.9Very high92.1Very high0 Ų064.8 Ų64.80%036%0.358CS..  trans8518.1-178.300000114.4S165 V166S165-G180 CarbonylContact C-O 3.42Å; S165-G180 WeakPolarHBondContact CA-O 3.31Å; V166-G180 WeakPolarHBondContact CG2-O 3.33Å; V166-G180 PolarHBondContact N-O 3.36Å
181W94.1Very high92.1Very high123 Ų12370 Ų7047%0.46639%0.385SS..BIsolated β-bridgetrans-73.6128.8177.8-57.2113.7000111.9S165 F179 N183 E184 L188S165-W181 WeakPolarHBondContact OG-CZ3 3.31Å; F179-W181 HydrophobicContact CB-CG 4.43Å; F179-W181 VanDerWaalsContact CB-NE1 3.28Å; F179-W181 AromaticContact CG-NE1 3.9Å; W181-N183 WeakPolarHBondContact CB-OD1 3.23Å; W181-N183 PolarHBondContact O-N 3.41Å; W181-E184 HydrophobicContact CB-CB 4.26Å; W181-E184 PolarHBondContact O-N 3.34Å; W181-L188 VanDerWaalsContact O-CD1 3.29Å; W181-L188 WeakPolarHBondContact O-CD1 3.19Å
182M92.9Very high92Very high30 Ų3068.8 Ų68.815%0.14838%0.378CS..THydrogen-bonded Turntrans-66.2-21.8-179.2-69.6-176.785.900113.6Y150 P154 G164 V166 E184 T185Y150-M182 HydrophobicContact CD2-CE 3.49Å; Y150-M182 VanDerWaalsContact CD2-CE 3.49Å; Y150-M182 HydrophobicContact CD2-CG 4.5Å; Y150-M182 HydrophobicContact CE2-CB 4.49Å; Y150-M182 HydrophobicContact CE2-CE 3.6Å; P154-M182 HydrophobicContact CG-CE 3.56Å; P154-M182 HydrophobicContact CG-SD 3.64Å; G164-M182 WeakPolarHBondContact O-CB 3.31Å; G164-M182 WeakPolarHBondContact O-CG 3.11Å; G164-M182 PolarHBondContact O-N 3.04Å; V166-M182 HydrophobicContact CG1-CE 4.38Å; V166-M182 HydrophobicContact CG1-CG 3.71Å; V166-M182 HydrophobicContact CG1-SD 4.24Å; M182-E184 VanDerWaalsContact C-N 3.3Å; M182-T185 WeakPolarHBondContact O-CG2 3.27Å
183N92.7Very high92Very high139 Ų13964.9 Ų64.974%0.74336%0.361SS*.THydrogen-bonded Turntrans-76-19.1174.966-6.3000112.7W181 T185W181-N183 WeakPolarHBondContact CB-OD1 3.23Å; W181-N183 PolarHBondContact O-N 3.41Å; N183-T185 VanDerWaalsContact C-N 3.34Å; N183-T185 PolarHBondContact O-N 3.32Å
184E90.7Very high92.1Very high69 Ų6956.2 Ų56.232%0.32233%0.329SS..  trans-96.759.1-177.6-161172.9-170.300110.8W181 M182 S186 T187W181-E184 HydrophobicContact CB-CB 4.26Å; W181-E184 PolarHBondContact O-N 3.34Å; M182-E184 VanDerWaalsContact C-N 3.3Å; E184-S186 PolarHBondContact O-N 3.32Å; E184-T187 HydrophobicContact CG-CG2 4.17Å; E184-T187 PolarHBondContact O-N 3.32Å; E184-T187 PolarHBondContact O-OG1 3.05Å; E184-T187 VanDerWaalsContact O-OG1 3.04Å
185T91.9Very high92.4Very high60 Ų6055.3 Ų55.337%0.36831%0.308SS..THydrogen-bonded Turntrans-62.4-19.9-172.157.70000114.4M182 N183 T187 L188 L190M182-T185 WeakPolarHBondContact O-CG2 3.27Å; N183-T185 VanDerWaalsContact C-N 3.34Å; N183-T185 PolarHBondContact O-N 3.32Å; T185-T187 VanDerWaalsContact C-N 3.28Å; T185-T187 PolarHBondContact O-N 2.91Å; T185-L188 PolarHBondContact O-N 2.03Å; T185-L190 HydrophobicContact CG2-CD2 4.1Å
186S92.1Very high92.7Very high85 Ų8557.1 Ų57.159%0.59431%0.311SS*.THydrogen-bonded Turntrans-65.3-30.7178.458.50000112.7K172 E184K172-S186 PolarHBondContact NZ-O 2.95Å; E184-S186 PolarHBondContact O-N 3.32Å
187T94.1Very high93.1Very high13 Ų1357.6 Ų57.68%0.0830%0.299CS..THydrogen-bonded Turntrans-93.9-9.5-178.563.20000113.2K172 A175 E184 T185K172-T187 WeakPolarHBondContact CB-O 3.35Å; K172-T187 WeakPolarHBondContact CG-O 3.46Å; K172-T187 PolarHBondContact N-O 3.22Å; A175-T187 HydrophobicContact CB-CG2 4.36Å; E184-T187 HydrophobicContact CG-CG2 4.17Å; E184-T187 PolarHBondContact O-N 3.32Å; E184-T187 PolarHBondContact O-OG1 3.05Å; E184-T187 VanDerWaalsContact O-OG1 3.04Å; T185-T187 VanDerWaalsContact C-N 3.28Å; T185-T187 PolarHBondContact O-N 2.91Å
188L95.5Very high93.3Very high0 Ų058.1 Ų58.10%029%0.288CS..BIsolated β-bridgetrans-102.1145.3-175-66.4179.8000113.8V166 C170 K172 W181 T185 L190V166-L188 HydrophobicContact CG2-CD1 3.86Å; V166-L188 HydrophobicContact CG2-CD2 3.59Å; V166-L188 HydrophobicContact CG2-CG 4.38Å; C170-L188 HydrophobicContact CB-CD2 4.13Å; K172-L188 WeakPolarHBondContact CE-O 3.38Å; W181-L188 VanDerWaalsContact O-CD1 3.29Å; W181-L188 WeakPolarHBondContact O-CD1 3.19Å; T185-L188 PolarHBondContact O-N 2.03Å; L188-L190 HydrophobicContact CB-CD2 4.09Å; L188-L190 PolarHBondContact O-N 2.99Å
189N95.9Very high93.3Very high18 Ų1860.3 Ų60.310%0.09631%0.308CS..  trans-75.8108165.4-62.5-59.2000109.1Q143 C145 C170 C171 K172Q143-N189 VanDerWaalsContact C-CG 3.42Å; Q143-N189 WeakPolarHBondContact O-CB 3.2Å; Q143-N189 VanDerWaalsContact O-CG 3.31Å; Q143-N189 PolarHBondContact O-OD1 2.89Å; C145-N189 WeakPolarHBondContact CB-O 3.22Å; C170-N189 PolarHBondContact O-N 3.04Å; C170-N189 PolarHBondContact O-ND2 3.49Å; C171-N189 PolarHBondContact O-ND2 3.46Å; C171-N189 VanDerWaalsContact O-ND2 3.16Å; K172-N189 WeakPolarHBondContact CG-OD1 2.98Å
190L94.8Very high93.3Very high63 Ų6358.3 Ų58.333%0.3330%0.302SS..  trans-81.1-27.4-173.4-54.9178.1000113.4N149 Y150 T185 L188N149-L190 PolarHBondContact OD1-O 2.02Å; Y150-L190 HydrophobicContact CD1-CB 4.02Å; Y150-L190 HydrophobicContact CD1-CD2 3.81Å; Y150-L190 HydrophobicContact CE1-CB 4.4Å; Y150-L190 HydrophobicContact CE1-CD2 3.94Å; Y150-L190 HydrophobicContact CG-CD2 4.22Å; Y150-L190 PolarHBondContact N-O 3.32Å; T185-L190 HydrophobicContact CG2-CD2 4.1Å; L188-L190 HydrophobicContact CB-CD2 4.09Å; L188-L190 PolarHBondContact O-N 2.99Å
191D95.2Very high93.1Very high109 Ų10961.7 Ų61.758%0.58332%0.32SS*.BIsolated β-bridgetrans-70.8137.5-179.4-63.4-43000111.5C144 C145C144-D191 CarbonylContact C-O 3.05Å; C144-D191 VanDerWaalsContact CA-O 3.25Å; C144-D191 WeakPolarHBondContact CA-O 3.45Å; C144-D191 VanDerWaalsContact CB-O 3.23Å; C144-D191 WeakPolarHBondContact CB-O 3.44Å; C145-D191 PolarHBondContact N-O 3.48Å
192G94.8Very high93Very high1 Ų160.7 Ų60.71%0.0132%0.323CS..  trans-67.9155.9171.400000113.2C145 F147 K148 Y194 P195 K196C145-G192 WeakPolarHBondContact O-CA 3.28Å; F147-G192 CarbonylContact O-C 3.58Å; F147-G192 WeakPolarHBondContact O-CA 3.4Å; K148-G192 WeakPolarHBondContact O-CA 3.01Å; K148-G192 PolarHBondContact O-N 2.84Å; G192-Y194 PolarHBondContact O-N 3.49Å; G192-P195 VanDerWaalsContact O-CD 3.29Å; G192-P195 WeakPolarHBondContact O-CD 3.4Å; G192-P195 VanDerWaalsContact O-CG 3.29Å; G192-P195 WeakPolarHBondContact O-CG 3.48Å; G192-K196 WeakPolarHBondContact O-CB 3.38Å; G192-K196 PolarHBondContact O-N 3.35Å
193C95.1Very high93Very high3 Ų362.1 Ų62.12%0.0235%0.346CS..Hα-helixtrans-68.3-35-179.4-59.90000113.2M138 C144 G146 F147 W197M138-C193 HydrophobicContact CE-CB 3.66Å; M138-C193 HydrophobicContact CG-CB 4.17Å; M138-C193 HydrophobicContact SD-CB 3.8Å; C144-C193 HydrophobicContact CB-CB 3.91Å; C144-C193 WeakPolarHBondContact CB-SG 3.23Å; C144-C193 WeakPolarHBondContact SG-CA 3.37Å; C144-C193 WeakPolarHBondContact SG-CB 3.16Å; C144-C193 CovalentContact SG-SG 2.02Å; C144-C193 PolarHBondContact SG-SG 2.84Å; G146-C193 PolarHBondContact O-N 2.89Å; G146-C193 PolarHBondContact O-SG 3.23Å; F147-C193 PolarHBondContact O-N 3.3Å; F147-C193 VanDerWaalsContact O-N 3.08Å; C193-W197 WeakPolarHBondContact O-CB 3.4Å; C193-W197 PolarHBondContact O-N 3.41Å
194Y92.5Very high93Very high35 Ų3557.8 Ų57.814%0.13732%0.323CS..Hα-helixtrans-65-53.1177.9-176.8-113.5000114.3D111 I114 V115 F147 G192 K196 W197 K198D111-Y194 VanDerWaalsContact CG-OH 3.25Å; D111-Y194 PolarHBondContact OD1-OH 3.4Å; D111-Y194 PolarHBondContact OD2-OH 2.91Å; I114-Y194 HydrophobicContact CG2-CD2 4.33Å; I114-Y194 HydrophobicContact CG2-CE2 4.24Å; V115-Y194 HydrophobicContact CG2-CE1 4.45Å; F147-Y194 HydrophobicContact CE1-CD1 4.27Å; F147-Y194 HydrophobicContact CE1-CD2 4.2Å; F147-Y194 AromaticContact CE1-CG 3.79Å; F147-Y194 HydrophobicContact CE1-CG 3.79Å; F147-Y194 HydrophobicContact CE2-CD2 4Å; F147-Y194 HydrophobicContact CE2-CG 4.07Å; F147-Y194 VanDerWaalsContact CZ-CB 3.42Å; F147-Y194 HydrophobicContact CZ-CD1 4.32Å; F147-Y194 AromaticContact CZ-CD2 3.45Å; F147-Y194 HydrophobicContact CZ-CD2 3.45Å; F147-Y194 VanDerWaalsContact CZ-CD2 3.45Å; F147-Y194 HydrophobicContact CZ-CE2 4.3Å; F147-Y194 AromaticContact CZ-CG 3.47Å; F147-Y194 HydrophobicContact CZ-CG 3.47Å; F147-Y194 VanDerWaalsContact CZ-CG 3.47Å; F147-Y194 VanDerWaalsContact O-CB 3.23Å; F147-Y194 WeakPolarHBondContact O-CB 3.34Å; F147-Y194 PolarHBondContact O-N 2.83Å; G192-Y194 PolarHBondContact O-N 3.49Å; Y194-K196 PolarHBondContact O-N 3.42Å; Y194-W197 PolarHBondContact O-N 2.82Å; Y194-K198 HydrophobicContact CE1-CD 4.4Å; Y194-K198 VanDerWaalsContact O-CB 3.31Å; Y194-K198 WeakPolarHBondContact O-CB 3.22Å; Y194-K198 PolarHBondContact O-N 2.87Å
195P92.9Very high93Very high58 Ų5858 Ų5838%0.37733%0.329SS..Hα-helixtrans-62.1-35.9177.423.2-33000111.6F147 G192 K198 A199F147-P195 WeakPolarHBondContact O-CD 3.4Å; G192-P195 VanDerWaalsContact O-CD 3.29Å; G192-P195 WeakPolarHBondContact O-CD 3.4Å; G192-P195 VanDerWaalsContact O-CG 3.29Å; G192-P195 WeakPolarHBondContact O-CG 3.48Å; P195-K198 PolarHBondContact O-N 3.4Å; P195-A199 VanDerWaalsContact O-CB 3.31Å; P195-A199 WeakPolarHBondContact O-CB 3.48Å; P195-A199 PolarHBondContact O-N 3.21Å
196K94.1Very high93Very high65 Ų6563.4 Ų63.428%0.28335%0.347SS..Hα-helixtrans-67.5-44.2177.4-158.8166.9-172.5-174.90112.3M142 Q143 C144 G192 Y194 A199 L200M142-K196 VanDerWaalsContact O-CD 3.23Å; M142-K196 WeakPolarHBondContact O-CD 3.33Å; M142-K196 WeakPolarHBondContact O-CE 3.4Å; M142-K196 PolarHBondContact O-NZ 2.03Å; Q143-K196 PolarHBondContact O-NZ 2.92Å; C144-K196 HydrophobicContact CB-CD 4.25Å; G192-K196 WeakPolarHBondContact O-CB 3.38Å; G192-K196 PolarHBondContact O-N 3.35Å; Y194-K196 PolarHBondContact O-N 3.42Å; K196-A199 PolarHBondContact O-N 3.43Å; K196-L200 PolarHBondContact O-N 3.33Å
197W91.3Very high93Very high124 Ų12468.3 Ų68.347%0.4735%0.352SS..Hα-helixtrans-59-47171.9174.8-112.9000111.9M142 C193 Y194 A199 L200 L201M142-W197 HydrophobicContact CE-CB 4.07Å; M142-W197 HydrophobicContact CE-CE3 3.9Å; C193-W197 WeakPolarHBondContact O-CB 3.4Å; C193-W197 PolarHBondContact O-N 3.41Å; Y194-W197 PolarHBondContact O-N 2.82Å; W197-A199 VanDerWaalsContact C-N 3.33Å; W197-A199 PolarHBondContact O-N 3.16Å; W197-L200 HydrophobicContact CE3-CD2 4.28Å; W197-L200 HydrophobicContact CZ3-CD2 4.24Å; W197-L200 WeakPolarHBondContact O-CB 3.4Å; W197-L200 PolarHBondContact O-N 2.95Å; W197-L201 HydrophobicContact CD2-CD1 4.31Å; W197-L201 HydrophobicContact CD2-CG 4.35Å; W197-L201 HydrophobicContact CG-CD1 4.41Å; W197-L201 HydrophobicContact CH2-CD2 4.45Å; W197-L201 HydrophobicContact CZ2-CD1 4Å; W197-L201 HydrophobicContact CZ2-CD2 4Å; W197-L201 HydrophobicContact CZ2-CG 4.06Å; W197-L201 PolarHBondContact O-N 2.98Å
198K91.1Very high92.8Very high78 Ų7872.3 Ų72.334%0.33937%0.372SS..Hα-helixtrans-62.6-40177.7-170.9168-176.3162.60111.8D111 Y194 P195 L201 L202D111-K198 IonicContact OD2-NZ 3.29Å; Y194-K198 HydrophobicContact CE1-CD 4.4Å; Y194-K198 VanDerWaalsContact O-CB 3.31Å; Y194-K198 WeakPolarHBondContact O-CB 3.22Å; Y194-K198 PolarHBondContact O-N 2.87Å; P195-K198 PolarHBondContact O-N 3.4Å; K198-L201 PolarHBondContact O-N 2.7Å; K198-L202 HydrophobicContact CG-CD1 4Å; K198-L202 HydrophobicContact CG-CG 4.42Å; K198-L202 WeakPolarHBondContact O-CB 3.39Å; K198-L202 VanDerWaalsContact O-CG 3.27Å; K198-L202 WeakPolarHBondContact O-CG 3.3Å; K198-L202 PolarHBondContact O-N 2.75Å
199A92.5Very high92.6Very high63 Ų6375 Ų7552%0.52140%0.395SS..Hα-helixtrans-64.4-42.3174.700000111.7P195 K196 W197 L202 G203P195-A199 VanDerWaalsContact O-CB 3.31Å; P195-A199 WeakPolarHBondContact O-CB 3.48Å; P195-A199 PolarHBondContact O-N 3.21Å; K196-A199 PolarHBondContact O-N 3.43Å; W197-A199 VanDerWaalsContact C-N 3.33Å; W197-A199 PolarHBondContact O-N 3.16Å; A199-L202 PolarHBondContact O-N 2.94Å; A199-G203 PolarHBondContact O-N 3.34Å
200L91.8Very high92.5Very high88 Ų8878.5 Ų78.546%0.46142%0.416SS..Hα-helixtrans-61.7-44.4175.4-174.170.8000111.7M142 K196 W197 N204M142-L200 HydrophobicContact CE-CD2 4.29Å; K196-L200 PolarHBondContact O-N 3.33Å; W197-L200 HydrophobicContact CE3-CD2 4.28Å; W197-L200 HydrophobicContact CZ3-CD2 4.24Å; W197-L200 WeakPolarHBondContact O-CB 3.4Å; W197-L200 PolarHBondContact O-N 2.95Å; L200-N204 PolarHBondContact O-N 2.82Å; L200-N204 PolarHBondContact O-ND2 3.23Å
201L90Very high92.4Very high72 Ų7277.4 Ų77.438%0.37742%0.421SS..Hα-helixtrans-62.2-51175.7-78175.1000111.6W197 K198 G203 N204 V205W197-L201 HydrophobicContact CD2-CD1 4.31Å; W197-L201 HydrophobicContact CD2-CG 4.35Å; W197-L201 HydrophobicContact CG-CD1 4.41Å; W197-L201 HydrophobicContact CH2-CD2 4.45Å; W197-L201 HydrophobicContact CZ2-CD1 4Å; W197-L201 HydrophobicContact CZ2-CD2 4Å; W197-L201 HydrophobicContact CZ2-CG 4.06Å; W197-L201 PolarHBondContact O-N 2.98Å; K198-L201 PolarHBondContact O-N 2.7Å; L201-G203 PolarHBondContact O-N 3.43Å; L201-N204 CarbonylContact O-C 3.53Å; L201-N204 PolarHBondContact O-N 3.47Å; L201-N204 VanDerWaalsContact O-N 3.16Å; L201-V205 WeakPolarHBondContact O-CA 3.09Å; L201-V205 PolarHBondContact O-N 3.15Å
202L91.9Very high92.1Very high101 Ų10174.9 Ų74.953%0.52941%0.412SS..Hα-helixtrans-66.4-36.3-178.5-71174.8000112.4K198 A199 N204 V205K198-L202 HydrophobicContact CG-CD1 4Å; K198-L202 HydrophobicContact CG-CG 4.42Å; K198-L202 WeakPolarHBondContact O-CB 3.39Å; K198-L202 VanDerWaalsContact O-CG 3.27Å; K198-L202 WeakPolarHBondContact O-CG 3.3Å; K198-L202 PolarHBondContact O-N 2.75Å; A199-L202 PolarHBondContact O-N 2.94Å; L202-N204 PolarHBondContact O-N 3.36Å; L202-V205 VanDerWaalsContact O-CG1 3.22Å; L202-V205 WeakPolarHBondContact O-CG1 3.28Å; L202-V205 PolarHBondContact O-N 3.27Å
203G92.2Very high92Very high61 Ų6180 Ų8063%0.62944%0.438SS*.Hα-helixtrans-62.4-31.1174.300000112.7A199 L201A199-G203 PolarHBondContact O-N 3.34Å; L201-G203 PolarHBondContact O-N 3.43Å
204N92.4Very high91.9Very high48 Ų4883.5 Ų83.526%0.25746%0.459SS..Hα-helixtrans-102.90.7178.8-66.7-67.5000113.9L200 L201 L202 K206 R207 I208L200-N204 PolarHBondContact O-N 2.82Å; L200-N204 PolarHBondContact O-ND2 3.23Å; L201-N204 CarbonylContact O-C 3.53Å; L201-N204 PolarHBondContact O-N 3.47Å; L201-N204 VanDerWaalsContact O-N 3.16Å; L202-N204 PolarHBondContact O-N 3.36Å; N204-K206 VanDerWaalsContact C-N 3.26Å; N204-K206 PolarHBondContact O-N 3.1Å; N204-K206 VanDerWaalsContact O-N 3.17Å; N204-R207 WeakPolarHBondContact O-CB 3.43Å; N204-R207 PolarHBondContact O-N 3.1Å; N204-R207 PolarHBondContact OD1-NH1 3.2Å; N204-I208 HydrophobicContact CB-CD1 4.16Å; N204-I208 HydrophobicContact CB-CG1 4.47Å; N204-I208 WeakPolarHBondContact O-CG1 3.46Å; N204-I208 PolarHBondContact O-N 3.28Å
205V91.6Very high91.9Very high73 Ų7384.2 Ų84.244%0.44246%0.463SS..Hα-helixtrans-59.1-38-171.375.80000112.1L201 L202 I208 A209L201-V205 WeakPolarHBondContact O-CA 3.09Å; L201-V205 PolarHBondContact O-N 3.15Å; L202-V205 VanDerWaalsContact O-CG1 3.22Å; L202-V205 WeakPolarHBondContact O-CG1 3.28Å; L202-V205 PolarHBondContact O-N 3.27Å; V205-I208 PolarHBondContact O-N 2.87Å; V205-A209 VanDerWaalsContact O-CB 3.22Å; V205-A209 WeakPolarHBondContact O-CB 3.2Å; V205-A209 PolarHBondContact O-N 3.38Å
206K90.5Very high91.8Very high174 Ų17483.2 Ų83.276%0.75746%0.456SS*.Hα-helixtrans-64.2-42.1176.8-65.9-172.9-179.8-177.50111.6N204 A209 V210N204-K206 VanDerWaalsContact C-N 3.26Å; N204-K206 PolarHBondContact O-N 3.1Å; N204-K206 VanDerWaalsContact O-N 3.17Å; K206-A209 PolarHBondContact O-N 3.12Å; K206-V210 VanDerWaalsContact O-CG2 3.28Å; K206-V210 WeakPolarHBondContact O-CG2 3.47Å; K206-V210 PolarHBondContact O-N 3.49Å
207R92.8Very high91.6Very high187 Ų18785.2 Ų85.271%0.70647%0.469SS*.Hα-helixtrans-67.1-44.3179-64178-179.7166.6-4.9111.1N204 V210 G211N204-R207 WeakPolarHBondContact O-CB 3.43Å; N204-R207 PolarHBondContact O-N 3.1Å; N204-R207 PolarHBondContact OD1-NH1 3.2Å; R207-V210 PolarHBondContact O-N 2.91Å; R207-G211 PolarHBondContact O-N 3.24Å
208I90.6Very high91.6Very high97 Ų9782.6 Ų82.650%0.49746%0.464SS..Hα-helixtrans-63.1-45177.6-63.8167.5000110.3N204 V205 V210 G211 S212N204-I208 HydrophobicContact CB-CD1 4.16Å; N204-I208 HydrophobicContact CB-CG1 4.47Å; N204-I208 WeakPolarHBondContact O-CG1 3.46Å; N204-I208 PolarHBondContact O-N 3.28Å; V205-I208 PolarHBondContact O-N 2.87Å; I208-V210 PolarHBondContact O-N 3.34Å; I208-G211 PolarHBondContact O-N 3.13Å; I208-S212 WeakPolarHBondContact O-CB 3.32Å; I208-S212 PolarHBondContact O-N 3.4Å
209A90.9Very high91.5Very high57 Ų5779 Ų7947%0.47145%0.448SS..Hα-helixtrans-61.8-44.5178.500000112.1V205 K206 S212 L213V205-A209 VanDerWaalsContact O-CB 3.22Å; V205-A209 WeakPolarHBondContact O-CB 3.2Å; V205-A209 PolarHBondContact O-N 3.38Å; K206-A209 PolarHBondContact O-N 3.12Å; A209-S212 PolarHBondContact O-N 2.67Å; A209-L213 WeakPolarHBondContact O-CB 3.47Å; A209-L213 PolarHBondContact O-N 3.01Å
210V93.9Very high91.3Very high91 Ų9178.2 Ų78.255%0.55244%0.437SS*.Hα-helixtrans-63-46.2175.6171.20000110.9K206 R207 I208 S212 L213 V214K206-V210 VanDerWaalsContact O-CG2 3.28Å; K206-V210 WeakPolarHBondContact O-CG2 3.47Å; K206-V210 PolarHBondContact O-N 3.49Å; R207-V210 PolarHBondContact O-N 2.91Å; I208-V210 PolarHBondContact O-N 3.34Å; V210-S212 VanDerWaalsContact C-N 3.34Å; V210-S212 PolarHBondContact O-N 2.95Å; V210-L213 PolarHBondContact O-N 3.01Å; V210-V214 HydrophobicContact CG1-CG2 4.4Å; V210-V214 WeakPolarHBondContact O-CG2 3.48Å; V210-V214 PolarHBondContact O-N 2.92Å
211G92.6Very high90.9Very high41 Ų4179.4 Ų79.442%0.42344%0.436SS..Hα-helixtrans-59.6-43.9177.400000112.5R207 I208 V214 F215R207-G211 PolarHBondContact O-N 3.24Å; I208-G211 PolarHBondContact O-N 3.13Å; G211-V214 PolarHBondContact O-N 3.21Å; G211-F215 WeakPolarHBondContact O-CB 3.44Å; G211-F215 PolarHBondContact O-N 2.77Å
212S89.5Confident90.3Very high56 Ų5676.1 Ų76.139%0.39242%0.419SS..Hα-helixtrans-63.5-41.9175.7-1740000112I208 A209 V210 F215 T216I208-S212 WeakPolarHBondContact O-CB 3.32Å; I208-S212 PolarHBondContact O-N 3.4Å; A209-S212 PolarHBondContact O-N 2.67Å; V210-S212 VanDerWaalsContact C-N 3.34Å; V210-S212 PolarHBondContact O-N 2.95Å; S212-F215 PolarHBondContact O-N 3.04Å; S212-T216 WeakPolarHBondContact O-CB 3.29Å; S212-T216 PolarHBondContact O-N 3.3Å; S212-T216 PolarHBondContact O-OG1 3.1Å
213L92.1Very high89.1Confident109 Ų10971.8 Ų71.857%0.57140%0.397SS*.Hα-helixtrans-63.3-47178.2-17868.3000111.2A209 V210 F215 T216 L217A209-L213 WeakPolarHBondContact O-CB 3.47Å; A209-L213 PolarHBondContact O-N 3.01Å; V210-L213 PolarHBondContact O-N 3.01Å; L213-F215 VanDerWaalsContact C-N 3.33Å; L213-F215 PolarHBondContact O-N 3.33Å; L213-T216 PolarHBondContact O-N 3.31Å; L213-L217 HydrophobicContact CG-CD1 4.33Å; L213-L217 WeakPolarHBondContact O-CG 3.48Å; L213-L217 PolarHBondContact O-N 3.04Å
214V93.5Very high88.1Confident75 Ų7574.3 Ų74.346%0.45539%0.392SS..Hα-helixtrans-60.3-44.7177.3171.70000110.6V210 G211 L217 I218V210-V214 HydrophobicContact CG1-CG2 4.4Å; V210-V214 WeakPolarHBondContact O-CG2 3.48Å; V210-V214 PolarHBondContact O-N 2.92Å; G211-V214 PolarHBondContact O-N 3.21Å; V214-L217 PolarHBondContact O-N 2.7Å; V214-I218 HydrophobicContact CG1-CD1 3.9Å; V214-I218 VanDerWaalsContact O-CG1 3.31Å; V214-I218 WeakPolarHBondContact O-CG1 3.49Å; V214-I218 PolarHBondContact O-N 3.45Å
215F91.4Very high87.2Confident51 Ų5175.1 Ų75.122%0.22440%0.395CS..Hα-helixtrans-60.7-46.7176.8-177.1-110.6000111.9F18 F19 L96 G211 S212 L213 L217 I218 L219F18-F215 HydrophobicContact CD1-CE2 4.13Å; F18-F215 HydrophobicContact CE1-CD2 4.38Å; F18-F215 AromaticContact CE1-CE2 3.36Å; F18-F215 HydrophobicContact CE1-CE2 3.36Å; F18-F215 AromaticContact CE1-CZ 3.78Å; F18-F215 HydrophobicContact CE1-CZ 3.78Å; F18-F215 AromaticContact CZ-CE2 3.87Å; F18-F215 HydrophobicContact CZ-CE2 3.87Å; F18-F215 HydrophobicContact CZ-CZ 4.46Å; F19-F215 HydrophobicContact CE1-CZ 4.23Å; F19-F215 HydrophobicContact CZ-CZ 4.46Å; L96-F215 HydrophobicContact CD1-CD1 4.32Å; L96-F215 HydrophobicContact CD1-CE1 4.07Å; G211-F215 WeakPolarHBondContact O-CB 3.44Å; G211-F215 PolarHBondContact O-N 2.77Å; S212-F215 PolarHBondContact O-N 3.04Å; L213-F215 VanDerWaalsContact C-N 3.33Å; L213-F215 PolarHBondContact O-N 3.33Å; F215-L217 VanDerWaalsContact C-N 3.32Å; F215-L217 PolarHBondContact O-N 3.44Å; F215-I218 WeakPolarHBondContact O-CB 3.23Å; F215-I218 PolarHBondContact O-N 3.4Å; F215-I218 VanDerWaalsContact O-N 3.16Å; F215-L219 HydrophobicContact CD1-CD1 4.05Å; F215-L219 HydrophobicContact CD1-CG 4.44Å; F215-L219 HydrophobicContact CE1-CD1 3.51Å; F215-L219 HydrophobicContact CE1-CD2 4.49Å; F215-L219 HydrophobicContact CE1-CG 4.1Å; F215-L219 HydrophobicContact CE2-CD2 4.24Å; F215-L219 HydrophobicContact CE2-CG 4.43Å; F215-L219 HydrophobicContact CZ-CD1 3.85Å; F215-L219 HydrophobicContact CZ-CD2 4Å; F215-L219 HydrophobicContact CZ-CG 4.09Å; F215-L219 WeakPolarHBondContact O-CG 3.47Å; F215-L219 PolarHBondContact O-N 3.01Å
216T90.4Very high86.1Confident37 Ų3772.1 Ų72.123%0.22738%0.376CS..Hα-helixtrans-58.8-42.3176.2-58.10000111.7L93 S212 L213 I218 L219 V220L93-T216 HydrophobicContact CD1-CG2 3.65Å; S212-T216 WeakPolarHBondContact O-CB 3.29Å; S212-T216 PolarHBondContact O-N 3.3Å; S212-T216 PolarHBondContact O-OG1 3.1Å; L213-T216 PolarHBondContact O-N 3.31Å; T216-I218 PolarHBondContact O-N 2.97Å; T216-L219 PolarHBondContact O-N 3.08Å; T216-L219 VanDerWaalsContact O-N 3.16Å; T216-V220 WeakPolarHBondContact O-CG2 3.14Å; T216-V220 PolarHBondContact O-N 3.34Å
217L90.3Very high85Confident106 Ų10668.6 Ų68.656%0.55536%0.363SS*.Hα-helixtrans-63-41.2176.1-70.2170.8000112.1L213 V214 F215 L219 V220 Y221L213-L217 HydrophobicContact CG-CD1 4.33Å; L213-L217 WeakPolarHBondContact O-CG 3.48Å; L213-L217 PolarHBondContact O-N 3.04Å; V214-L217 PolarHBondContact O-N 2.7Å; F215-L217 VanDerWaalsContact C-N 3.32Å; F215-L217 PolarHBondContact O-N 3.44Å; L217-L219 PolarHBondContact O-N 2.82Å; L217-V220 PolarHBondContact O-N 3.4Å; L217-Y221 PolarHBondContact O-N 3.22Å
218I90.8Very high84Confident69 Ų6965 Ų6535%0.35436%0.358SS..Hα-helixtrans-60.6-35.5174.5-70167000111.2F11 L15 V214 F215 T216 P222F11-I218 HydrophobicContact CE2-CG2 4.45Å; F11-I218 HydrophobicContact CZ-CG2 4.03Å; L15-I218 HydrophobicContact CD1-CG2 4.34Å; V214-I218 HydrophobicContact CG1-CD1 3.9Å; V214-I218 VanDerWaalsContact O-CG1 3.31Å; V214-I218 WeakPolarHBondContact O-CG1 3.49Å; V214-I218 PolarHBondContact O-N 3.45Å; F215-I218 WeakPolarHBondContact O-CB 3.23Å; F215-I218 PolarHBondContact O-N 3.4Å; F215-I218 VanDerWaalsContact O-N 3.16Å; T216-I218 PolarHBondContact O-N 2.97Å; I218-P222 WeakPolarHBondContact O-CD 2.88Å
219L89.9Confident82.9Confident2 Ų263.5 Ų63.51%0.0135%0.349CS..Hα-helixtrans-74.8-28.7176.9-63.9-174.9000113.6L15 F19 L89 I92 L93 L96 F215 T216 L217 P223L15-L219 HydrophobicContact CD1-CD2 4.01Å; L15-L219 HydrophobicContact CD2-CD2 4.26Å; F19-L219 HydrophobicContact CE2-CD2 4.14Å; F19-L219 HydrophobicContact CZ-CD2 3.57Å; L89-L219 HydrophobicContact CD2-CD2 4.15Å; I92-L219 HydrophobicContact CG2-CD1 3.97Å; L93-L219 HydrophobicContact CD1-CB 4.42Å; L96-L219 HydrophobicContact CD1-CD1 3.82Å; F215-L219 HydrophobicContact CD1-CD1 4.05Å; F215-L219 HydrophobicContact CD1-CG 4.44Å; F215-L219 HydrophobicContact CE1-CD1 3.51Å; F215-L219 HydrophobicContact CE1-CD2 4.49Å; F215-L219 HydrophobicContact CE1-CG 4.1Å; F215-L219 HydrophobicContact CE2-CD2 4.24Å; F215-L219 HydrophobicContact CE2-CG 4.43Å; F215-L219 HydrophobicContact CZ-CD1 3.85Å; F215-L219 HydrophobicContact CZ-CD2 4Å; F215-L219 HydrophobicContact CZ-CG 4.09Å; F215-L219 WeakPolarHBondContact O-CG 3.47Å; F215-L219 PolarHBondContact O-N 3.01Å; T216-L219 PolarHBondContact O-N 3.08Å; T216-L219 VanDerWaalsContact O-N 3.16Å; L217-L219 PolarHBondContact O-N 2.82Å; L219-P223 WeakPolarHBondContact O-CD 3.36Å; L219-P223 VanDerWaalsContact O-CG 3.28Å; L219-P223 WeakPolarHBondContact O-CG 3.29Å
220V88.1Confident81.7Confident48 Ų4864.4 Ų64.429%0.29135%0.351SS..Hα-helixtrans-81-33.4180171.70000112.4L93 T216 L217 P223 E224L93-V220 HydrophobicContact CD1-CG2 3.65Å; L93-V220 HydrophobicContact CD2-CG2 4.1Å; T216-V220 WeakPolarHBondContact O-CG2 3.14Å; T216-V220 PolarHBondContact O-N 3.34Å; L217-V220 PolarHBondContact O-N 3.4Å; V220-P223 WeakPolarHBondContact O-CB 3.41Å; V220-P223 WeakPolarHBondContact O-CD 3.31Å; V220-P223 WeakPolarHBondContact O-CG 3.29Å; V220-E224 PolarHBondContact O-N 3.35Å
221Y84Confident80.4Confident112 Ų11266.6 Ų66.644%0.43936%0.358SS..Hα-helixtrans-55.4-50.8-179.7179.1-107000115F11 L217 E224 E225F11-Y221 HydrophobicContact CE1-CD1 4Å; F11-Y221 HydrophobicContact CZ-CD1 4.09Å; L217-Y221 PolarHBondContact O-N 3.22Å; Y221-E224 PolarHBondContact O-N 3.44Å; Y221-E225 HydrophobicContact CE1-CG 4.48Å; Y221-E225 HydrophobicContact CE2-CG 4Å; Y221-E225 VanDerWaalsContact CZ-OE1 3.27Å; Y221-E225 PolarHBondContact O-N 2.83Å; Y221-E225 PolarHBondContact OH-OE1 3.04Å
222P75.8Confident79.1Confident4 Ų472.4 Ų72.43%0.02638%0.376CS..Hα-helixtrans-59-43.5178.212.6-18.9000113.4F11 L12 L15 L89 I218 E224 E225 L226F11-P222 HydrophobicContact CE1-CB 4.02Å; F11-P222 HydrophobicContact CE1-CG 3.74Å; L12-P222 HydrophobicContact CD2-CB 3.95Å; L15-P222 HydrophobicContact CD2-CG 4.17Å; L89-P222 HydrophobicContact CD1-CB 4.17Å; L89-P222 HydrophobicContact CD1-CG 3.75Å; I218-P222 WeakPolarHBondContact O-CD 2.88Å; P222-E224 PolarHBondContact O-N 3.44Å; P222-E225 PolarHBondContact O-N 3.32Å; P222-L226 WeakPolarHBondContact O-CB 3.33Å; P222-L226 PolarHBondContact O-N 3.09Å
223P68.7Low77.5Confident10 Ų1077.6 Ų77.67%0.06540%0.398CS..Hα-helixtrans-48.9-49171.6-32.230.6000115.5F86 L219 V220 M227F86-P223 HydrophobicContact CD2-CB 3.84Å; F86-P223 HydrophobicContact CD2-CG 4.27Å; F86-P223 HydrophobicContact CE2-CB 3.39Å; F86-P223 HydrophobicContact CE2-CG 4.23Å; F86-P223 HydrophobicContact CZ-CB 4.37Å; L219-P223 WeakPolarHBondContact O-CD 3.36Å; L219-P223 VanDerWaalsContact O-CG 3.28Å; L219-P223 WeakPolarHBondContact O-CG 3.29Å; V220-P223 WeakPolarHBondContact O-CB 3.41Å; V220-P223 WeakPolarHBondContact O-CD 3.31Å; V220-P223 WeakPolarHBondContact O-CG 3.29Å; P223-M227 WeakPolarHBondContact O-CB 3.34Å; P223-M227 PolarHBondContact O-N 3.07Å
224E71.3Confident76.8Confident113 Ų11376 Ų7653%0.52839%0.39SS..Hα-helixtrans-66.2-47.6-177.6-71.5-171.5143.400111.5V220 Y221 P222 M227 L228V220-E224 PolarHBondContact O-N 3.35Å; Y221-E224 PolarHBondContact O-N 3.44Å; P222-E224 PolarHBondContact O-N 3.44Å; E224-M227 PolarHBondContact O-N 3.2Å; E224-L228 WeakPolarHBondContact O-CD1 3.13Å; E224-L228 PolarHBondContact O-N 3.41Å
225E71.7Confident75.9Confident66 Ų6676.1 Ų76.131%0.30839%0.386SS..Hα-helixtrans-67-39.3179.2-74.9-14616700113.1Y221 P222 M227 L228 Q229Y221-E225 HydrophobicContact CE1-CG 4.48Å; Y221-E225 HydrophobicContact CE2-CG 4Å; Y221-E225 VanDerWaalsContact CZ-OE1 3.27Å; Y221-E225 PolarHBondContact O-N 2.83Å; Y221-E225 PolarHBondContact OH-OE1 3.04Å; P222-E225 PolarHBondContact O-N 3.32Å; E225-M227 VanDerWaalsContact C-N 3.35Å; E225-L228 PolarHBondContact O-N 3.4Å; E225-Q229 WeakPolarHBondContact O-CG 3.38Å; E225-Q229 PolarHBondContact O-N 2.8Å
226L68.5Low75.1Confident10 Ų1077.4 Ų77.45%0.05240%0.395CS..Hα-helixtrans-61.2-44.8175-10763.9000111.3T8 L12 L82 F86 P222 Q229 C230T8-L226 HydrophobicContact CG2-CD1 4.2Å; L12-L226 HydrophobicContact CD1-CD1 4.31Å; L82-L226 HydrophobicContact CD1-CD1 3.86Å; L82-L226 HydrophobicContact CD1-CD2 3.59Å; L82-L226 HydrophobicContact CD1-CG 3.82Å; L82-L226 HydrophobicContact CD2-CD1 4.5Å; L82-L226 HydrophobicContact CD2-CD2 4.18Å; L82-L226 HydrophobicContact CD2-CG 3.9Å; L82-L226 HydrophobicContact CG-CD1 4.33Å; L82-L226 HydrophobicContact CG-CD2 3.46Å; L82-L226 VanDerWaalsContact CG-CD2 3.46Å; L82-L226 HydrophobicContact CG-CG 3.73Å; F86-L226 HydrophobicContact CB-CD2 3.97Å; F86-L226 HydrophobicContact CD2-CD2 4.35Å; P222-L226 WeakPolarHBondContact O-CB 3.33Å; P222-L226 PolarHBondContact O-N 3.09Å; L226-Q229 PolarHBondContact O-N 3.04Å; L226-C230 WeakPolarHBondContact O-CB 3.41Å; L226-C230 PolarHBondContact O-N 3.07Å
227M68.1Low74.2Confident99 Ų9979.8 Ų79.849%0.48841%0.405SS..Hα-helixtrans-61.8-44.8177.6-84.4-155.9-64.900111F86 P223 E224 E225 Q229 C230 I231F86-M227 HydrophobicContact CE2-CG 4.05Å; F86-M227 HydrophobicContact CZ-CG 4.11Å; F86-M227 HydrophobicContact CZ-SD 4.29Å; P223-M227 WeakPolarHBondContact O-CB 3.34Å; P223-M227 PolarHBondContact O-N 3.07Å; E224-M227 PolarHBondContact O-N 3.2Å; E225-M227 VanDerWaalsContact C-N 3.35Å; M227-Q229 VanDerWaalsContact C-N 3.34Å; M227-Q229 PolarHBondContact O-N 3.32Å; M227-C230 PolarHBondContact O-N 3.36Å; M227-I231 VanDerWaalsContact O-CG1 3.24Å; M227-I231 WeakPolarHBondContact O-CG1 3.44Å; M227-I231 PolarHBondContact O-N 3.46Å
228L72.2Confident73.2Confident112 Ų11278.2 Ų78.259%0.58640%0.396SS*.Hα-helixtrans-59.4-44.1175.1-98.691.6000112E224 E225 C230 I231 M232E224-L228 WeakPolarHBondContact O-CD1 3.13Å; E224-L228 PolarHBondContact O-N 3.41Å; E225-L228 PolarHBondContact O-N 3.4Å; L228-C230 PolarHBondContact O-N 3.17Å; L228-I231 PolarHBondContact O-N 2.91Å; L228-M232 WeakPolarHBondContact O-CG 3.41Å; L228-M232 PolarHBondContact O-N 3.27Å; L228-M232 VanDerWaalsContact O-N 3.07Å
229Q67.4Low72Confident65 Ų6578.8 Ų78.830%0.30440%0.399SS..Hα-helixtrans-65.5-36.1177.8-75.1180-2.800112.7E225 L226 M227E225-Q229 WeakPolarHBondContact O-CG 3.38Å; E225-Q229 PolarHBondContact O-N 2.8Å; L226-Q229 PolarHBondContact O-N 3.04Å; M227-Q229 VanDerWaalsContact C-N 3.34Å; M227-Q229 PolarHBondContact O-N 3.32Å
230C64.7Low70.7Confident77 Ų7784.3 Ų84.352%0.5243%0.427SS..Hα-helixtrans-70.1-34.3175.1-104.70000112.8L226 M227 L228L226-C230 WeakPolarHBondContact O-CB 3.41Å; L226-C230 PolarHBondContact O-N 3.07Å; M227-C230 PolarHBondContact O-N 3.36Å; L228-C230 PolarHBondContact O-N 3.17Å
231I68.4Low69.4Low137 Ų13787.1 Ų87.170%0.70344%0.437SS*.Hα-helixtrans-73.9-32178.2-67.8164.9000111.4M227 L228 L233M227-I231 VanDerWaalsContact O-CG1 3.24Å; M227-I231 WeakPolarHBondContact O-CG1 3.44Å; M227-I231 PolarHBondContact O-N 3.46Å; L228-I231 PolarHBondContact O-N 2.91Å; I231-L233 VanDerWaalsContact C-N 3.33Å
232M65.3Low68.1Low162 Ų16285 Ų8580%0.79844%0.437SS*.THydrogen-bonded Turntrans-85.23-179.7-65.6-140.3-58.200114.9L228L228-M232 WeakPolarHBondContact O-CG 3.41Å; L228-M232 PolarHBondContact O-N 3.27Å; L228-M232 VanDerWaalsContact O-N 3.07Å
233L55.6Low67.4Low165 Ų16592.4 Ų92.486%0.86447%0.474SS*.  trans-112.10177.9-89.5167.1000111.3I231I231-L233 VanDerWaalsContact C-N 3.33Å

Retrieved 233 of 233 residues in 141.9 ms (Link to these results)

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