A0A093HVS6_STRCA Loading...

Epithelial membrane protein 2

AlphaFold DB , UniProt , Accession A0A093HVS6, Species STRCA (Struthio camelus australis), Gene n/a, Length 167 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
1M76.4Confident87.9Confident141 Ų14182.3 Ų82.370%0.69543%0.434SS*.  0-500-170.2162.268.500111.6I3 L4 L5 R166 K167M1-I3 PolarHBondContact O-N 2.98Å; M1-L4 PolarHBondContact O-N 3.31Å; M1-L5 PolarHBondContact O-N 3.3Å; M1-L5 VanDerWaalsContact O-N 3.09Å; M1-R166 HydrophobicContact SD-CB 4.18Å; M1-K167 WeakPolarHBondContact CE-O 2.89Å
2L81.2Confident88.6Confident136 Ų13675.5 Ų75.571%0.71240%0.398SS*.Hα-helixtrans-61.8-40.6-178.3-63.3172.9000114.4L5 A6L2-L5 PolarHBondContact O-N 3.46Å; L2-A6 WeakPolarHBondContact O-CB 3.48Å; L2-A6 PolarHBondContact O-N 2.86Å
3I86.3Confident89.2Confident151 Ų15176.8 Ų76.877%0.77440%0.404SS*.Hα-helixtrans-62.1-46.6178.7-61.4171.5000111.5M1 L5 A6 F7M1-I3 PolarHBondContact O-N 2.98Å; I3-L5 VanDerWaalsContact C-N 3.33Å; I3-L5 PolarHBondContact O-N 3.33Å; I3-A6 PolarHBondContact O-N 3.42Å; I3-F7 PolarHBondContact O-N 2.93Å
4L85.9Confident89.8Confident90 Ų9075.3 Ų75.347%0.47140%0.399SS..Hα-helixtrans-62.5-42.9177.5-17769.3000111M1 F7 I8 L163M1-L4 PolarHBondContact O-N 3.31Å; L4-F7 PolarHBondContact O-N 3.47Å; L4-I8 HydrophobicContact CG-CD1 4.04Å; L4-I8 VanDerWaalsContact O-CD1 3.31Å; L4-I8 WeakPolarHBondContact O-CD1 3.31Å; L4-I8 WeakPolarHBondContact O-CG1 3.5Å; L4-I8 PolarHBondContact O-N 3.09Å; L4-L163 HydrophobicContact CD2-CD2 3.83Å
5L87.1Confident90.3Very high46 Ų4670.3 Ų70.324%0.24137%0.373CS..Hα-helixtrans-61.3-45.6176179.660.2000111.9M1 L2 I3 F7 I8 I9 F83 L87M1-L5 PolarHBondContact O-N 3.3Å; M1-L5 VanDerWaalsContact O-N 3.09Å; L2-L5 PolarHBondContact O-N 3.46Å; I3-L5 VanDerWaalsContact C-N 3.33Å; I3-L5 PolarHBondContact O-N 3.33Å; L5-F7 VanDerWaalsContact C-N 3.33Å; L5-F7 PolarHBondContact O-N 2.95Å; L5-I8 PolarHBondContact O-N 2.76Å; L5-I9 HydrophobicContact CD1-CD1 4.06Å; L5-I9 HydrophobicContact CD1-CG1 4.37Å; L5-I9 HydrophobicContact CG-CD1 3.97Å; L5-I9 VanDerWaalsContact O-CG1 3.32Å; L5-I9 WeakPolarHBondContact O-CG1 3.2Å; L5-I9 PolarHBondContact O-N 3.48Å; L5-F83 HydrophobicContact CD1-CE1 3.95Å; L5-F83 HydrophobicContact CD1-CZ 3.55Å; L5-L87 HydrophobicContact CD1-CD1 3.86Å; L5-L87 HydrophobicContact CD1-CD2 3.8Å; L5-L87 HydrophobicContact CD1-CG 4.49Å
6A89.2Confident90.8Very high50 Ų5066.9 Ų66.941%0.41336%0.358SS..Hα-helixtrans-60.4-43.9176.300000111.2L2 I3 I8 I9 V10L2-A6 WeakPolarHBondContact O-CB 3.48Å; L2-A6 PolarHBondContact O-N 2.86Å; I3-A6 PolarHBondContact O-N 3.42Å; A6-I8 PolarHBondContact O-N 3.13Å; A6-I9 PolarHBondContact O-N 3.18Å; A6-V10 VanDerWaalsContact O-CG2 3.31Å; A6-V10 WeakPolarHBondContact O-CG2 3.39Å; A6-V10 PolarHBondContact O-N 3.27Å
7F90.4Very high91.3Very high122 Ų12265.6 Ų65.654%0.53536%0.359SS..Hα-helixtrans-59.5-46.1176.1-178.2-97.8000112.1I3 L4 L5 I9 V10 F11I3-F7 PolarHBondContact O-N 2.93Å; L4-F7 PolarHBondContact O-N 3.47Å; L5-F7 VanDerWaalsContact C-N 3.33Å; L5-F7 PolarHBondContact O-N 2.95Å; F7-I9 VanDerWaalsContact C-N 3.34Å; F7-I9 PolarHBondContact O-N 3.22Å; F7-V10 PolarHBondContact O-N 2.85Å; F7-F11 HydrophobicContact CZ-CD2 4.45Å; F7-F11 VanDerWaalsContact O-CB 3.23Å; F7-F11 WeakPolarHBondContact O-CB 3.24Å; F7-F11 PolarHBondContact O-N 3.13Å
8I91.2Very high91.7Very high7 Ų763.3 Ų63.34%0.03635%0.346CS..Hα-helixtrans-59-46176.7-66.8157000111.1L4 L5 A6 F11 H12 F83 M159 Y160 L163L4-I8 HydrophobicContact CG-CD1 4.04Å; L4-I8 VanDerWaalsContact O-CD1 3.31Å; L4-I8 WeakPolarHBondContact O-CD1 3.31Å; L4-I8 WeakPolarHBondContact O-CG1 3.5Å; L4-I8 PolarHBondContact O-N 3.09Å; L5-I8 PolarHBondContact O-N 2.76Å; A6-I8 PolarHBondContact O-N 3.13Å; I8-F11 PolarHBondContact O-N 3.37Å; I8-H12 WeakPolarHBondContact O-CB 3.16Å; I8-H12 PolarHBondContact O-N 3.1Å; I8-F83 HydrophobicContact CG2-CE1 3.96Å; I8-F83 HydrophobicContact CG2-CE2 4.39Å; I8-F83 HydrophobicContact CG2-CZ 3.75Å; I8-M159 HydrophobicContact CB-CE 3.99Å; I8-M159 HydrophobicContact CG1-CE 3.59Å; I8-M159 HydrophobicContact CG1-SD 3.69Å; I8-M159 HydrophobicContact CG2-CE 3.74Å; I8-Y160 HydrophobicContact CG2-CD1 4.48Å; I8-Y160 HydrophobicContact CG2-CE1 3.44Å; I8-Y160 VanDerWaalsContact CG2-CE1 3.44Å; I8-Y160 WeakPolarHBondContact CG2-OH 3.2Å; I8-L163 HydrophobicContact CD1-CD1 3.27Å; I8-L163 HydrophobicContact CG1-CD1 3.97Å
9I92.4Very high92Very high46 Ų4659.9 Ų59.924%0.23633%0.327CS..Hα-helixtrans-63.3-48.2-179.9-69.6168.3000110.5L5 A6 F7 F11 H12 I13 F80 F83L5-I9 HydrophobicContact CD1-CD1 4.06Å; L5-I9 HydrophobicContact CD1-CG1 4.37Å; L5-I9 HydrophobicContact CG-CD1 3.97Å; L5-I9 VanDerWaalsContact O-CG1 3.32Å; L5-I9 WeakPolarHBondContact O-CG1 3.2Å; L5-I9 PolarHBondContact O-N 3.48Å; A6-I9 PolarHBondContact O-N 3.18Å; F7-I9 VanDerWaalsContact C-N 3.34Å; F7-I9 PolarHBondContact O-N 3.22Å; I9-F11 VanDerWaalsContact C-N 3.31Å; I9-F11 PolarHBondContact O-N 3.44Å; I9-H12 PolarHBondContact O-N 3.26Å; I9-I13 HydrophobicContact CG2-CD1 3.68Å; I9-I13 HydrophobicContact CG2-CG1 4.39Å; I9-I13 VanDerWaalsContact O-CG1 3.3Å; I9-I13 WeakPolarHBondContact O-CG1 3.42Å; I9-I13 PolarHBondContact O-N 3.26Å; I9-F80 HydrophobicContact CG2-CE2 4.22Å; I9-F80 HydrophobicContact CG2-CZ 4.28Å; I9-F83 HydrophobicContact CG1-CE1 3.99Å
10V94.2Very high92.4Very high88 Ų8861.7 Ų61.753%0.53333%0.332SS..Hα-helixtrans-60.3-43.6177.9170.20000110.8A6 F7 H12 I13 T14A6-V10 VanDerWaalsContact O-CG2 3.31Å; A6-V10 WeakPolarHBondContact O-CG2 3.39Å; A6-V10 PolarHBondContact O-N 3.27Å; F7-V10 PolarHBondContact O-N 2.85Å; V10-H12 VanDerWaalsContact C-N 3.33Å; V10-H12 PolarHBondContact O-N 3.42Å; V10-I13 PolarHBondContact O-N 2.87Å; V10-T14 WeakPolarHBondContact O-CB 3.3Å; V10-T14 PolarHBondContact O-N 2.99Å; V10-T14 PolarHBondContact O-OG1 2.99Å
11F93.1Very high92.6Very high28 Ų2862.2 Ų62.212%0.12333%0.334CS..Hα-helixtrans-63.4-40179.2-164.2-103.5000112.1F7 I8 I9 T14 S15 F152 I155F7-F11 HydrophobicContact CZ-CD2 4.45Å; F7-F11 VanDerWaalsContact O-CB 3.23Å; F7-F11 WeakPolarHBondContact O-CB 3.24Å; F7-F11 PolarHBondContact O-N 3.13Å; I8-F11 PolarHBondContact O-N 3.37Å; I9-F11 VanDerWaalsContact C-N 3.31Å; I9-F11 PolarHBondContact O-N 3.44Å; F11-T14 PolarHBondContact O-N 2.95Å; F11-S15 PolarHBondContact O-N 3.48Å; F11-S15 PolarHBondContact O-OG 3.36Å; F11-F152 HydrophobicContact CE1-CB 4.28Å; F11-F152 HydrophobicContact CE1-CG 4.49Å; F11-F152 VanDerWaalsContact CE1-O 3.23Å; F11-F152 WeakPolarHBondContact CE1-O 3.46Å; F11-F152 HydrophobicContact CE2-CD1 4.02Å; F11-F152 HydrophobicContact CE2-CD2 4.24Å; F11-F152 HydrophobicContact CE2-CE1 4.12Å; F11-F152 HydrophobicContact CE2-CE2 4.33Å; F11-F152 HydrophobicContact CE2-CG 4.08Å; F11-F152 HydrophobicContact CE2-CZ 4.28Å; F11-F152 HydrophobicContact CZ-CB 4.04Å; F11-F152 HydrophobicContact CZ-CD1 4.17Å; F11-F152 HydrophobicContact CZ-CD2 4.01Å; F11-F152 AromaticContact CZ-CG 3.81Å; F11-F152 HydrophobicContact CZ-CG 3.81Å; F11-I155 HydrophobicContact CE1-CB 4.05Å; F11-I155 HydrophobicContact CE1-CG2 3.87Å; F11-I155 HydrophobicContact CZ-CB 4.04Å; F11-I155 HydrophobicContact CZ-CG2 3.84Å
12H95.6Very high93.7Very high1 Ų155.5 Ų55.51%0.00530%0.301CS..Hα-helixtrans-68.6-44176.2-158.197000112.6I8 I9 V10 T14 S15 A16 C76 F80 Q103 Y160I8-H12 WeakPolarHBondContact O-CB 3.16Å; I8-H12 PolarHBondContact O-N 3.1Å; I9-H12 PolarHBondContact O-N 3.26Å; V10-H12 VanDerWaalsContact C-N 3.33Å; V10-H12 PolarHBondContact O-N 3.42Å; H12-T14 VanDerWaalsContact C-N 3.29Å; H12-T14 PolarHBondContact O-N 3.37Å; H12-S15 WeakPolarHBondContact O-CB 3.44Å; H12-S15 PolarHBondContact O-N 2.97Å; H12-A16 PolarHBondContact O-N 3.47Å; H12-C76 PolarHBondContact NE2-O 3.47Å; H12-F80 HydrophobicContact CB-CD2 4.21Å; H12-F80 AromaticContact CD2-CD2 3.48Å; H12-F80 VanDerWaalsContact CD2-CD2 3.48Å; H12-F80 WeakPolarHBondContact CD2-CD2 3.32Å; H12-F80 AromaticContact CD2-CG 3.8Å; H12-F80 AromaticContact CG-CD2 3.88Å; H12-F80 WeakPolarHBondContact NE2-CB 3.49Å; H12-F80 PolarHBondContact NE2-N 2.9Å; H12-Q103 VanDerWaalsContact CE1-CD 3.46Å; H12-Q103 PolarHBondContact CE1-OE1 3.46Å; H12-Y160 AromaticContact ND1-CE2 3.54Å; H12-Y160 AromaticContact ND1-CZ 3.81Å; H12-Y160 PolarHBondContact ND1-OH 3.29Å
13I96.6Very high94.5Very high92 Ų9249.5 Ų49.547%0.47227%0.27SS..Hα-helixtrans-61.6-41175.4-69169.4000110.4I9 V10 A16 A17 F80I9-I13 HydrophobicContact CG2-CD1 3.68Å; I9-I13 HydrophobicContact CG2-CG1 4.39Å; I9-I13 VanDerWaalsContact O-CG1 3.3Å; I9-I13 WeakPolarHBondContact O-CG1 3.42Å; I9-I13 PolarHBondContact O-N 3.26Å; V10-I13 PolarHBondContact O-N 2.87Å; I13-A16 PolarHBondContact O-N 3.27Å; I13-A17 WeakPolarHBondContact O-CB 3.28Å; I13-A17 PolarHBondContact O-N 2.84Å; I13-F80 HydrophobicContact CG1-CZ 4.41Å
14T97.5Very high95.1Very high56 Ų5647.4 Ų47.434%0.34426%0.259SS..Hα-helixtrans-62.9-44.8176.6-53.60000110.4V10 F11 H12 A16 A17 L18 F152V10-T14 WeakPolarHBondContact O-CB 3.3Å; V10-T14 PolarHBondContact O-N 2.99Å; V10-T14 PolarHBondContact O-OG1 2.99Å; F11-T14 PolarHBondContact O-N 2.95Å; H12-T14 VanDerWaalsContact C-N 3.29Å; H12-T14 PolarHBondContact O-N 3.37Å; T14-A16 VanDerWaalsContact C-N 3.33Å; T14-A16 PolarHBondContact O-N 3.34Å; T14-A17 PolarHBondContact O-N 2.94Å; T14-L18 HydrophobicContact CG2-CD1 4.26Å; T14-L18 HydrophobicContact CG2-CG 4.48Å; T14-L18 VanDerWaalsContact O-CG 3.25Å; T14-L18 WeakPolarHBondContact O-CG 3.44Å; T14-L18 PolarHBondContact O-N 2.95Å; T14-F152 HydrophobicContact CG2-CD1 4.14Å; T14-F152 HydrophobicContact CG2-CE1 3.74Å
15S97.8Very high95.6Very high0 Ų045.9 Ų45.90%025%0.251CS..Hα-helixtrans-55.9-47.6174.1-53.60000111.5F11 H12 L18 L19 F152F11-S15 PolarHBondContact O-N 3.48Å; F11-S15 PolarHBondContact O-OG 3.36Å; H12-S15 WeakPolarHBondContact O-CB 3.44Å; H12-S15 PolarHBondContact O-N 2.97Å; S15-L18 PolarHBondContact O-N 3.23Å; S15-L19 VanDerWaalsContact O-CG 3.31Å; S15-L19 WeakPolarHBondContact O-CG 3.47Å; S15-L19 PolarHBondContact O-N 3.44Å; S15-F152 WeakPolarHBondContact OG-CB 3.06Å
16A98.1Very high96Very high17 Ų1744.6 Ų44.614%0.1425%0.245CC..Hα-helixtrans-62.8-44.3178.800000112.1H12 I13 T14 L18 L19 F20H12-A16 PolarHBondContact O-N 3.47Å; I13-A16 PolarHBondContact O-N 3.27Å; T14-A16 VanDerWaalsContact C-N 3.33Å; T14-A16 PolarHBondContact O-N 3.34Å; A16-L18 VanDerWaalsContact C-N 3.35Å; A16-L18 PolarHBondContact O-N 3.46Å; A16-L19 PolarHBondContact O-N 3.45Å; A16-F20 VanDerWaalsContact O-CD2 3.23Å; A16-F20 WeakPolarHBondContact O-CD2 3.39Å; A16-F20 PolarHBondContact O-N 2.93Å
17A98.4Very high96.3Very high45 Ų4542.3 Ų42.337%0.37223%0.226SC..Hα-helixtrans-59.9-44.5177.500000111.8I13 T14 L19 F20 I21I13-A17 WeakPolarHBondContact O-CB 3.28Å; I13-A17 PolarHBondContact O-N 2.84Å; T14-A17 PolarHBondContact O-N 2.94Å; A17-L19 PolarHBondContact O-N 3.37Å; A17-F20 PolarHBondContact O-N 2.86Å; A17-I21 VanDerWaalsContact O-CG1 3.25Å; A17-I21 WeakPolarHBondContact O-CG1 3.32Å; A17-I21 PolarHBondContact O-N 3.44Å
18L98.5Very high96.7Very high23 Ų2336.5 Ų36.512%0.1220%0.2CC..Hα-helixtrans-61.3-43.5175.8-66172.5000111.9T14 S15 A16 I21 S22 L145 I148 A149 F152T14-L18 HydrophobicContact CG2-CD1 4.26Å; T14-L18 HydrophobicContact CG2-CG 4.48Å; T14-L18 VanDerWaalsContact O-CG 3.25Å; T14-L18 WeakPolarHBondContact O-CG 3.44Å; T14-L18 PolarHBondContact O-N 2.95Å; S15-L18 PolarHBondContact O-N 3.23Å; A16-L18 VanDerWaalsContact C-N 3.35Å; A16-L18 PolarHBondContact O-N 3.46Å; L18-I21 PolarHBondContact O-N 2.85Å; L18-S22 WeakPolarHBondContact O-CB 3.32Å; L18-S22 PolarHBondContact O-N 2.92Å; L18-S22 PolarHBondContact O-OG 3.23Å; L18-L145 HydrophobicContact CD2-CB 4.49Å; L18-L145 HydrophobicContact CD2-CD1 4.47Å; L18-L145 HydrophobicContact CD2-CD2 3.83Å; L18-L145 HydrophobicContact CD2-CG 4.46Å; L18-I148 HydrophobicContact CD1-CG2 3.81Å; L18-A149 HydrophobicContact CB-CB 3.89Å; L18-F152 HydrophobicContact CD1-CD1 3.77Å; L18-F152 HydrophobicContact CD1-CE1 4.02Å; L18-F152 HydrophobicContact CD1-CG 4.37Å
19L98.7Very high96.9Very high0 Ų037 Ų370%020%0.202CC..Hα-helixtrans-62.2-44175.7-69.7174.1000112.2S15 A16 A17 S22 T23 C76 V110 A149 T153S15-L19 VanDerWaalsContact O-CG 3.31Å; S15-L19 WeakPolarHBondContact O-CG 3.47Å; S15-L19 PolarHBondContact O-N 3.44Å; A16-L19 PolarHBondContact O-N 3.45Å; A17-L19 PolarHBondContact O-N 3.37Å; L19-S22 WeakPolarHBondContact CA-OG 3.5Å; L19-S22 PolarHBondContact O-OG 3.01Å; L19-T23 WeakPolarHBondContact O-CB 3.23Å; L19-T23 PolarHBondContact O-N 2.66Å; L19-T23 PolarHBondContact O-OG1 3.45Å; L19-C76 HydrophobicContact CD1-CB 3.47Å; L19-C76 VanDerWaalsContact CD1-CB 3.47Å; L19-V110 HydrophobicContact CD2-CG1 4.43Å; L19-V110 HydrophobicContact CD2-CG2 3.28Å; L19-A149 HydrophobicContact CD2-CB 3.6Å; L19-A149 HydrophobicContact CG-CB 4.01Å; L19-T153 HydrophobicContact CD1-CG2 4.08Å
20F98.6Very high97Very high95 Ų9536.4 Ų36.442%0.41720%0.2SC..Hα-helixtrans-61.9-47.7176.3-88.5-69.6000112.1A16 A17 T23 I24 T73A16-F20 VanDerWaalsContact O-CD2 3.23Å; A16-F20 WeakPolarHBondContact O-CD2 3.39Å; A16-F20 PolarHBondContact O-N 2.93Å; A17-F20 PolarHBondContact O-N 2.86Å; F20-T23 PolarHBondContact O-N 3.5Å; F20-I24 HydrophobicContact CD1-CD1 3.88Å; F20-I24 WeakPolarHBondContact O-CB 3.31Å; F20-I24 VanDerWaalsContact O-CG1 3.31Å; F20-I24 WeakPolarHBondContact O-CG1 3.4Å; F20-I24 PolarHBondContact O-N 2.77Å; F20-T73 HydrophobicContact CD1-CG2 3.9Å; F20-T73 HydrophobicContact CD2-CG2 4.05Å; F20-T73 HydrophobicContact CE1-CG2 3.59Å; F20-T73 HydrophobicContact CE2-CG2 3.73Å; F20-T73 HydrophobicContact CG-CG2 4.13Å; F20-T73 HydrophobicContact CZ-CG2 3.49Å; F20-T73 VanDerWaalsContact CZ-CG2 3.49Å
21I98.6Very high97Very high73 Ų7333.2 Ų33.237%0.37419%0.185SC..Hα-helixtrans-62.6-50.3-179.8-63.8163.3000110A17 L18 T23 I24 D25 Y141 L145A17-I21 VanDerWaalsContact O-CG1 3.25Å; A17-I21 WeakPolarHBondContact O-CG1 3.32Å; A17-I21 PolarHBondContact O-N 3.44Å; L18-I21 PolarHBondContact O-N 2.85Å; I21-T23 PolarHBondContact O-N 3.32Å; I21-I24 PolarHBondContact O-N 2.74Å; I21-D25 PolarHBondContact O-N 3.5Å; I21-Y141 HydrophobicContact CG2-CE2 3.81Å; I21-L145 HydrophobicContact CB-CD1 4.03Å; I21-L145 HydrophobicContact CG2-CD1 3.48Å; I21-L145 VanDerWaalsContact CG2-CD1 3.48Å
22S98.4Very high96.8Very high0 Ų039.4 Ų39.40%022%0.219CC..Hα-helixtrans-62-32178.163.40000112.7L18 L19 W28 M69 S142L18-S22 WeakPolarHBondContact O-CB 3.32Å; L18-S22 PolarHBondContact O-N 2.92Å; L18-S22 PolarHBondContact O-OG 3.23Å; L19-S22 WeakPolarHBondContact CA-OG 3.5Å; L19-S22 PolarHBondContact O-OG 3.01Å; S22-W28 PolarHBondContact O-NE1 3.35Å; S22-M69 WeakPolarHBondContact OG-CE 3.23Å; S22-S142 VanDerWaalsContact CB-O 3.22Å; S22-S142 WeakPolarHBondContact CB-O 3.19Å
23T98.4Very high96.6Very high9 Ų943.2 Ų43.26%0.05524%0.24CC..Hα-helixtrans-79.3-39.6179.8-57.60000112L19 F20 I21 W39 M69 V70 T73L19-T23 WeakPolarHBondContact O-CB 3.23Å; L19-T23 PolarHBondContact O-N 2.66Å; L19-T23 PolarHBondContact O-OG1 3.45Å; F20-T23 PolarHBondContact O-N 3.5Å; I21-T23 PolarHBondContact O-N 3.32Å; T23-W39 HydrophobicContact CG2-CZ2 4.45Å; T23-W39 PolarHBondContact O-NE1 2.95Å; T23-M69 HydrophobicContact CG2-CB 4.02Å; T23-M69 WeakPolarHBondContact OG1-CE 3.34Å; T23-V70 HydrophobicContact CG2-CG2 4.31Å; T23-T73 PolarHBondContact OG1-OG1 3.28Å
24I98.1Very high96.3Very high108 Ų10839.4 Ų39.455%0.55422%0.22SC*.Hα-helixtrans-86.1-40.8-170.1-67.7170.7000111.8F20 I21F20-I24 HydrophobicContact CD1-CD1 3.88Å; F20-I24 WeakPolarHBondContact O-CB 3.31Å; F20-I24 VanDerWaalsContact O-CG1 3.31Å; F20-I24 WeakPolarHBondContact O-CG1 3.4Å; F20-I24 PolarHBondContact O-N 2.77Å; I21-I24 PolarHBondContact O-N 2.74Å
25D96.6Very high96.2Very high57 Ų5738.1 Ų38.131%0.30521%0.213SC..  trans-85.4133.2-171.2-165.942.2000113.3I21 A27 Y141 S142I21-D25 PolarHBondContact O-N 3.5Å; D25-A27 PolarHBondContact O-N 3.41Å; D25-A27 WeakPolarHBondContact OD2-CB 3.42Å; D25-Y141 VanDerWaalsContact CG-OH 3.26Å; D25-Y141 VanDerWaalsContact OD2-CE1 3.31Å; D25-Y141 WeakPolarHBondContact OD2-CE1 3.43Å; D25-Y141 PolarHBondContact OD2-OH 3.27Å; D25-S142 PolarHBondContact O-OG 3.48Å
26N94.9Very high96Very high19 Ų1938.4 Ų38.410%0.10222%0.215CC..SBendtrans-87.262.3-176.5-57.8-74.5000109.9S35 T36 W39 R40N26-S35 CarbonylContact O-C 3.47Å; N26-S35 VanDerWaalsContact O-C 3.25Å; N26-S35 WeakPolarHBondContact O-CB 2.95Å; N26-S35 PolarHBondContact O-OG 3.39Å; N26-T36 CarbonylContact C-O 3.12Å; N26-T36 WeakPolarHBondContact CA-O 3.35Å; N26-T36 CarbonylContact O-C 3.57Å; N26-T36 PolarHBondContact O-N 3.44Å; N26-T36 VanDerWaalsContact O-N 3.08Å; N26-W39 WeakPolarHBondContact OD1-CA 3.32Å; N26-W39 WeakPolarHBondContact OD1-CB 3.38Å; N26-W39 PolarHBondContact OD1-N 2.86Å; N26-R40 HydrophobicContact CB-CB 4.44Å; N26-R40 WeakPolarHBondContact CB-O 3.41Å; N26-R40 PolarHBondContact OD1-N 2.95Å
27A96.9Very high95.5Very high2 Ų237.7 Ų37.72%0.01721%0.209CC..  trans-137.142.5179.700000111D25 W29 V30 S35 T36 G140 Y141 S142D25-A27 PolarHBondContact O-N 3.41Å; D25-A27 WeakPolarHBondContact OD2-CB 3.42Å; A27-W29 VanDerWaalsContact C-N 3.34Å; A27-V30 HydrophobicContact CB-CG1 4.04Å; A27-S35 WeakPolarHBondContact CA-OG 3.47Å; A27-T36 PolarHBondContact N-O 3.45Å; A27-G140 CarbonylContact O-C 3.58Å; A27-G140 WeakPolarHBondContact O-CA 3.15Å; A27-Y141 HydrophobicContact CB-CD1 3.73Å; A27-Y141 HydrophobicContact CB-CE1 3.39Å; A27-Y141 PolarHBondContact O-N 2.98Å; A27-S142 WeakPolarHBondContact O-CB 3.18Å; A27-S142 PolarHBondContact O-N 3.21Å; A27-S142 VanDerWaalsContact O-N 3.09Å
28W97.6Very high95.3Very high0 Ų035.6 Ų35.60%019%0.191CC..SBendtrans-80.7-23.9170.1-71.543.3000111.6S22 T36 D37 V38 V65 M69 Y117 Y139 G140 F143 A146S22-W28 PolarHBondContact O-NE1 3.35Å; W28-T36 PolarHBondContact N-O 2.96Å; W28-D37 VanDerWaalsContact C-OD2 3.28Å; W28-D37 HydrophobicContact CB-CB 3.62Å; W28-D37 WeakPolarHBondContact CB-OD2 3.13Å; W28-D37 HydrophobicContact CG-CB 4.17Å; W28-V38 HydrophobicContact CD2-CG2 3.79Å; W28-V38 VanDerWaalsContact CE2-CG2 3.4Å; W28-V38 HydrophobicContact CG-CG2 3.96Å; W28-V38 HydrophobicContact CZ2-CG2 3.92Å; W28-V65 HydrophobicContact CE3-CG1 4.49Å; W28-V65 HydrophobicContact CH2-CG1 3.87Å; W28-V65 HydrophobicContact CZ3-CG1 3.83Å; W28-M69 HydrophobicContact CH2-CE 4.4Å; W28-M69 HydrophobicContact CH2-CG 3.91Å; W28-M69 HydrophobicContact CH2-SD 3.73Å; W28-M69 HydrophobicContact CZ2-CE 3.91Å; W28-M69 HydrophobicContact CZ2-CG 3.88Å; W28-M69 HydrophobicContact CZ2-SD 3.82Å; W28-Y117 HydrophobicContact CB-CE1 4.13Å; W28-Y117 HydrophobicContact CB-CE2 4.25Å; W28-Y117 AromaticContact CE3-CD1 3.71Å; W28-Y117 HydrophobicContact CE3-CD1 3.71Å; W28-Y117 AromaticContact CE3-CD2 3.67Å; W28-Y117 HydrophobicContact CE3-CD2 3.67Å; W28-Y117 HydrophobicContact CE3-CE1 4.01Å; W28-Y117 AromaticContact CE3-CE2 4Å; W28-Y117 HydrophobicContact CE3-CE2 4Å; W28-Y117 AromaticContact CE3-CG 3.51Å; W28-Y117 HydrophobicContact CE3-CG 3.51Å; W28-Y117 HydrophobicContact CZ3-CD1 4.22Å; W28-Y117 HydrophobicContact CZ3-CD2 4.13Å; W28-Y117 AromaticContact CZ3-CG 3.77Å; W28-Y117 HydrophobicContact CZ3-CG 3.77Å; W28-Y139 CarbonylContact O-C 3.25Å; W28-Y139 WeakPolarHBondContact O-CA 3.34Å; W28-G140 PolarHBondContact O-N 2.93Å; W28-F143 HydrophobicContact CB-CB 4.03Å; W28-F143 HydrophobicContact CD2-CB 4.19Å; W28-F143 HydrophobicContact CD2-CD2 4.44Å; W28-F143 HydrophobicContact CE3-CB 4.28Å; W28-F143 AromaticContact CE3-CD2 3.71Å; W28-F143 HydrophobicContact CE3-CD2 3.71Å; W28-F143 HydrophobicContact CE3-CG 4.49Å; W28-F143 HydrophobicContact CG-CB 4.14Å; W28-F143 AromaticContact CZ3-CD2 3.98Å; W28-F143 HydrophobicContact CZ3-CD2 3.98Å; W28-A146 HydrophobicContact CH2-CB 4.1Å; W28-A146 HydrophobicContact CZ2-CB 4.05Å
29W96.1Very high95.2Very high18 Ų1838.9 Ų38.97%0.06820%0.202CC..EExtended strand (participates in β ladder)trans-139.8130175.5-163.9-114.1000108.7A27 F34 T36 D37 Y117 H125 V134 G137 Q138 Y139A27-W29 VanDerWaalsContact C-N 3.34Å; W29-F34 AromaticContact CD1-CE2 3.62Å; W29-T36 HydrophobicContact CB-CG2 3.82Å; W29-T36 HydrophobicContact CG-CG2 4.38Å; W29-T36 PolarHBondContact O-N 2.65Å; W29-D37 VanDerWaalsContact CA-OD2 3.25Å; W29-D37 WeakPolarHBondContact CA-OD2 3.09Å; W29-D37 WeakPolarHBondContact CB-OD2 3.45Å; W29-D37 PolarHBondContact N-OD2 3.44Å; W29-Y117 WeakPolarHBondContact CB-OH 3.49Å; W29-H125 AromaticContact CD1-CD2 3.52Å; W29-H125 AromaticContact CD1-CE1 3.71Å; W29-H125 AromaticContact CD1-CG 3.77Å; W29-H125 AromaticContact CD1-ND1 3.88Å; W29-H125 AromaticContact CD1-NE2 3.49Å; W29-H125 AromaticContact CD2-CE1 3.34Å; W29-H125 AromaticContact CD2-ND1 3.52Å; W29-H125 AromaticContact CD2-NE2 3.89Å; W29-H125 AromaticContact CE2-CE1 3.74Å; W29-H125 AromaticContact CE2-CG 3.81Å; W29-H125 AromaticContact CE2-ND1 3.41Å; W29-H125 AromaticContact CE3-CE1 3.69Å; W29-H125 AromaticContact CE3-ND1 3.94Å; W29-H125 AromaticContact CG-CD2 3.94Å; W29-H125 AromaticContact CG-CE1 3.38Å; W29-H125 AromaticContact CG-ND1 3.86Å; W29-H125 AromaticContact CG-NE2 3.42Å; W29-H125 AromaticContact CZ2-ND1 3.8Å; W29-H125 AromaticContact NE1-CD2 3.8Å; W29-H125 AromaticContact NE1-CE1 3.94Å; W29-H125 AromaticContact NE1-CG 3.55Å; W29-H125 AromaticContact NE1-ND1 3.65Å; W29-V134 PolarHBondContact NE1-O 2.9Å; W29-G137 WeakPolarHBondContact CH2-O 3.36Å; W29-G137 WeakPolarHBondContact CZ2-O 3.25Å; W29-G137 VanDerWaalsContact NE1-CA 3.32Å; W29-Q138 WeakPolarHBondContact CA-O 3.38Å; W29-Y139 HydrophobicContact CE3-CD1 4.08Å; W29-Y139 HydrophobicContact CE3-CE1 4.42Å; W29-Y139 HydrophobicContact CE3-CG 4.43Å; W29-Y139 HydrophobicContact CZ3-CD1 4.06Å; W29-Y139 HydrophobicContact CZ3-CD2 4.41Å; W29-Y139 HydrophobicContact CZ3-CE1 4.17Å; W29-Y139 HydrophobicContact CZ3-CG 4.18Å
30V95.4Very high95Very high34 Ų3445 Ų4521%0.20623%0.225CC..EExtended strand (participates in β ladder)trans-136.6145.4-173.9-63.20000109.8A27 G137 Q138A27-V30 HydrophobicContact CB-CG1 4.04Å; V30-G137 CarbonylContact O-C 3.55Å; V30-G137 WeakPolarHBondContact O-CA 3.31Å; V30-Q138 HydrophobicContact CG2-CG 4.1Å; V30-Q138 PolarHBondContact N-O 2.73Å; V30-Q138 PolarHBondContact O-N 3.5Å
31G92.8Very high94.6Very high20 Ų2040.9 Ų40.921%0.20621%0.208CC..EExtended strand (participates in β ladder)trans-139-177.8169.400000110N33 F34G31-N33 PolarHBondContact O-N 3.44Å; G31-N33 VanDerWaalsContact O-N 3.11Å; G31-F34 PolarHBondContact N-O 3.48Å; G31-F34 PolarHBondContact O-N 2.87Å; G31-F34 VanDerWaalsContact O-O 3.07Å
32D89.9Confident94.3Very high158 Ų15838.7 Ų38.785%0.84520%0.198SC*.THydrogen-bonded Turntrans-56.5-35-173.7-65.2-25.5000113.4
33N89.9Confident93.9Very high81 Ų8139.8 Ų39.843%0.43321%0.205SC..THydrogen-bonded Turntrans-1217.4-172.5-62.2-47.7000113.9G31 T44 N45G31-N33 PolarHBondContact O-N 3.44Å; G31-N33 VanDerWaalsContact O-N 3.11Å; N33-T44 PolarHBondContact O-N 3.34Å; N33-N45 VanDerWaalsContact CG-ND2 3.32Å; N33-N45 PolarHBondContact OD1-ND2 3.25Å
34F91.8Very high93.2Very high12 Ų1243.7 Ų43.75%0.05323%0.229CC..EExtended strand (participates in β ladder)trans-151.2158.4-177.372.1-94.6000113.4W29 G31 T36 C42 I132 V134W29-F34 AromaticContact CD1-CE2 3.62Å; G31-F34 PolarHBondContact N-O 3.48Å; G31-F34 PolarHBondContact O-N 2.87Å; G31-F34 VanDerWaalsContact O-O 3.07Å; F34-T36 HydrophobicContact CD2-CG2 4.13Å; F34-T36 HydrophobicContact CE2-CG2 4.14Å; F34-C42 CarbonylContact C-O 3.34Å; F34-C42 WeakPolarHBondContact CA-O 3.36Å; F34-C42 WeakPolarHBondContact CB-O 3.41Å; F34-I132 HydrophobicContact CB-CG2 4.29Å; F34-I132 HydrophobicContact CD1-CG2 4.19Å; F34-I132 HydrophobicContact CG-CG2 4.42Å; F34-V134 HydrophobicContact CD1-CG1 4.16Å; F34-V134 HydrophobicContact CD2-CB 4.35Å; F34-V134 HydrophobicContact CD2-CG1 3.81Å; F34-V134 HydrophobicContact CE1-CB 4.21Å; F34-V134 HydrophobicContact CE1-CG1 4.17Å; F34-V134 HydrophobicContact CE2-CB 3.87Å; F34-V134 HydrophobicContact CE2-CG1 3.86Å; F34-V134 HydrophobicContact CG-CG1 3.99Å; F34-V134 VanDerWaalsContact CZ-CA 3.47Å; F34-V134 HydrophobicContact CZ-CB 3.79Å; F34-V134 HydrophobicContact CZ-CG1 4.03Å; F34-V134 WeakPolarHBondContact CZ-O 3.26Å
35S94.2Very high92.3Very high30 Ų3044.1 Ų44.121%0.2123%0.232CC..EExtended strand (participates in β ladder)trans-141.1132.8171-166.50000108.2N26 A27 C42N26-S35 CarbonylContact O-C 3.47Å; N26-S35 VanDerWaalsContact O-C 3.25Å; N26-S35 WeakPolarHBondContact O-CB 2.95Å; N26-S35 PolarHBondContact O-OG 3.39Å; A27-S35 WeakPolarHBondContact CA-OG 3.47Å; S35-C42 PolarHBondContact N-O 3.43Å; S35-C42 WeakPolarHBondContact O-CA 3.28Å; S35-C42 WeakPolarHBondContact O-CB 3.45Å; S35-C42 PolarHBondContact O-N 3.39Å
36T93.7Very high91.5Very high5 Ų545.2 Ų45.23%0.03124%0.241CC..EExtended strand (participates in β ladder)trans-139.6-175.2-171.1-1790000114.9N26 A27 W28 W29 F34 R40 I41N26-T36 CarbonylContact C-O 3.12Å; N26-T36 WeakPolarHBondContact CA-O 3.35Å; N26-T36 CarbonylContact O-C 3.57Å; N26-T36 PolarHBondContact O-N 3.44Å; N26-T36 VanDerWaalsContact O-N 3.08Å; A27-T36 PolarHBondContact N-O 3.45Å; W28-T36 PolarHBondContact N-O 2.96Å; W29-T36 HydrophobicContact CB-CG2 3.82Å; W29-T36 HydrophobicContact CG-CG2 4.38Å; W29-T36 PolarHBondContact O-N 2.65Å; F34-T36 HydrophobicContact CD2-CG2 4.13Å; F34-T36 HydrophobicContact CE2-CG2 4.14Å; T36-R40 CarbonylContact C-O 3.45Å; T36-R40 WeakPolarHBondContact CA-O 3.35Å; T36-I41 WeakPolarHBondContact OG1-CG1 3.48Å
37D88.2Confident90.7Very high3 Ų350.7 Ų50.72%0.01628%0.275CS..SBendtrans114.7-119.6157.9-54.6-78.9000113.8W28 W29 W39 R40 I52 Y117 H125W28-D37 VanDerWaalsContact C-OD2 3.28Å; W28-D37 HydrophobicContact CB-CB 3.62Å; W28-D37 WeakPolarHBondContact CB-OD2 3.13Å; W28-D37 HydrophobicContact CG-CB 4.17Å; W29-D37 VanDerWaalsContact CA-OD2 3.25Å; W29-D37 WeakPolarHBondContact CA-OD2 3.09Å; W29-D37 WeakPolarHBondContact CB-OD2 3.45Å; W29-D37 PolarHBondContact N-OD2 3.44Å; D37-W39 CarbonylContact O-C 3.5Å; D37-W39 PolarHBondContact O-N 3.27Å; D37-R40 PolarHBondContact N-O 2.91Å; D37-R40 PolarHBondContact O-N 3.4Å; D37-R40 VanDerWaalsContact O-N 3.15Å; D37-I52 WeakPolarHBondContact O-CD1 3.45Å; D37-Y117 HydrophobicContact CB-CE2 4.04Å; D37-Y117 WeakPolarHBondContact OD1-CE2 3.33Å; D37-Y117 PolarHBondContact OD1-OH 2.67Å; D37-Y117 PolarHBondContact OD2-OH 3.04Å; D37-Y117 VanDerWaalsContact OD2-OH 3.11Å; D37-H125 IonicContact OD1-CE1 3.12Å; D37-H125 IonicContact OD1-NE2 2.68Å; D37-H125 PolarHBondContact OD1-NE2 3.11Å; D37-H125 VanDerWaalsContact OD1-NE2 3.12Å
38V95.2Very high90.3Very high1 Ų154 Ų541%0.00630%0.296CS..SBendtrans-36.9-41.8-154.7-173.70000114.1W28 Q66W28-V38 HydrophobicContact CD2-CG2 3.79Å; W28-V38 VanDerWaalsContact CE2-CG2 3.4Å; W28-V38 HydrophobicContact CG-CG2 3.96Å; W28-V38 HydrophobicContact CZ2-CG2 3.92Å; V38-Q66 HydrophobicContact CG1-CG 3.9Å; V38-Q66 VanDerWaalsContact O-CD 3.31Å; V38-Q66 WeakPolarHBondContact O-CG 3.39Å; V38-Q66 PolarHBondContact O-NE2 3.48Å
39W96.1Very high89.9Confident92 Ų9256.9 Ų56.935%0.34832%0.315SS..SBendtrans-119.5-31.2176.1-51.2100.1000116.2T23 N26 D37 I52 Q66 V70T23-W39 HydrophobicContact CG2-CZ2 4.45Å; T23-W39 PolarHBondContact O-NE1 2.95Å; N26-W39 WeakPolarHBondContact OD1-CA 3.32Å; N26-W39 WeakPolarHBondContact OD1-CB 3.38Å; N26-W39 PolarHBondContact OD1-N 2.86Å; D37-W39 CarbonylContact O-C 3.5Å; D37-W39 PolarHBondContact O-N 3.27Å; W39-I52 PolarHBondContact O-N 3.23Å; W39-Q66 HydrophobicContact CE3-CG 4.17Å; W39-Q66 HydrophobicContact CH2-CB 4.02Å; W39-Q66 HydrophobicContact CH2-CG 4.11Å; W39-Q66 HydrophobicContact CZ3-CB 4.2Å; W39-Q66 HydrophobicContact CZ3-CG 3.92Å; W39-V70 HydrophobicContact CH2-CG2 3.98Å; W39-V70 HydrophobicContact CZ2-CG2 3.9Å
40R93.3Very high89.6Confident127 Ų12758.5 Ų58.548%0.47933%0.327SS..EExtended strand (participates in β ladder)trans-149.6153-164.2-57-174.2178.6-147.2-2.6113N26 T36 D37 T50N26-R40 HydrophobicContact CB-CB 4.44Å; N26-R40 WeakPolarHBondContact CB-O 3.41Å; N26-R40 PolarHBondContact OD1-N 2.95Å; T36-R40 CarbonylContact C-O 3.45Å; T36-R40 WeakPolarHBondContact CA-O 3.35Å; D37-R40 PolarHBondContact N-O 2.91Å; D37-R40 PolarHBondContact O-N 3.4Å; D37-R40 VanDerWaalsContact O-N 3.15Å; R40-T50 CarbonylContact C-O 3.49Å; R40-T50 WeakPolarHBondContact CA-O 3.49Å; R40-T50 VanDerWaalsContact CB-O 3.3Å; R40-T50 WeakPolarHBondContact CB-O 3.38Å
41I91.6Very high89.5Confident10 Ų1059.4 Ų59.45%0.05134%0.338CS..EExtended strand (participates in β ladder)trans-98.7129.3158.5-67.5165.8000108.3T36 C49 T50 I52 F56 Y130T36-I41 WeakPolarHBondContact OG1-CG1 3.48Å; I41-C49 CarbonylContact O-C 3.57Å; I41-C49 WeakPolarHBondContact O-CA 3.37Å; I41-T50 PolarHBondContact N-O 3.38Å; I41-T50 PolarHBondContact O-N 3.13Å; I41-I52 HydrophobicContact CG1-CD1 4.41Å; I41-I52 HydrophobicContact CG1-CG1 4.44Å; I41-F56 HydrophobicContact CD1-CE1 3.33Å; I41-F56 HydrophobicContact CD1-CZ 3.63Å; I41-F56 HydrophobicContact CG1-CE1 4.4Å; I41-F56 HydrophobicContact CG1-CZ 4.48Å; I41-Y130 HydrophobicContact CD1-CD2 3.72Å; I41-Y130 HydrophobicContact CD1-CE2 4.27Å; I41-Y130 HydrophobicContact CD1-CG 4.15Å
42C91.9Very high89.4Confident26 Ų2659.2 Ų59.218%0.17633%0.332CS..EExtended strand (participates in β ladder)trans-121.5134.9176.6-70.70000111F34 S35 T48 C49F34-C42 CarbonylContact C-O 3.34Å; F34-C42 WeakPolarHBondContact CA-O 3.36Å; F34-C42 WeakPolarHBondContact CB-O 3.41Å; S35-C42 PolarHBondContact N-O 3.43Å; S35-C42 WeakPolarHBondContact O-CA 3.28Å; S35-C42 WeakPolarHBondContact O-CB 3.45Å; S35-C42 PolarHBondContact O-N 3.39Å; C42-T48 WeakPolarHBondContact CA-O 3.3Å; C42-C49 HydrophobicContact CB-CB 4.17Å; C42-C49 WeakPolarHBondContact CB-SG 3.48Å; C42-C49 WeakPolarHBondContact SG-CB 3.41Å; C42-C49 CovalentContact SG-SG 2.05Å; C42-C49 PolarHBondContact SG-SG 2.82Å
43V89.9Confident89.4Confident24 Ų2453.8 Ų53.815%0.14531%0.305CS..EExtended strand (participates in β ladder)trans-101.5120.6176-168.50000109.4N45 T46 T47 T48 I132V43-N45 VanDerWaalsContact C-N 3.32Å; V43-N45 PolarHBondContact O-N 2.8Å; V43-T46 WeakPolarHBondContact CB-OG1 3.48Å; V43-T46 WeakPolarHBondContact CG1-OG1 3.49Å; V43-T47 WeakPolarHBondContact O-CA 3.24Å; V43-T47 PolarHBondContact O-N 3.3Å; V43-T48 PolarHBondContact N-O 3.18Å; V43-I132 HydrophobicContact CG2-CD1 3.28Å; V43-I132 HydrophobicContact CG2-CG1 4.29Å
44T82.8Confident89.4Confident90 Ų9056 Ų5655%0.55232%0.316SS*.THydrogen-bonded Turntrans-66.6-35.9-174.3-46.30000111.8N33N33-T44 PolarHBondContact O-N 3.34Å
45N80.5Confident89.1Confident117 Ų11762.7 Ų62.763%0.62635%0.348SS*.THydrogen-bonded Turntrans-76.1-26-175-67.2-19.5000114.2N33 V43N33-N45 VanDerWaalsContact CG-ND2 3.32Å; N33-N45 PolarHBondContact OD1-ND2 3.25Å; V43-N45 VanDerWaalsContact C-N 3.32Å; V43-N45 PolarHBondContact O-N 2.8Å
46T79.1Confident88.5Confident80 Ų8062.4 Ų62.449%0.49134%0.343SS..THydrogen-bonded Turntrans-116.6-1.3-175.451.80000113.1V43 T48V43-T46 WeakPolarHBondContact CB-OG1 3.48Å; V43-T46 WeakPolarHBondContact CG1-OG1 3.49Å; T46-T48 PolarHBondContact O-N 3.44Å; T46-T48 PolarHBondContact OG1-OG1 3.2Å
47T78.1Confident87.8Confident134 Ų13465.7 Ų65.782%0.82236%0.36SS*.THydrogen-bonded Turntrans52.220.6-173.940.90000114.1V43V43-T47 WeakPolarHBondContact O-CA 3.24Å; V43-T47 PolarHBondContact O-N 3.3Å
48T87.4Confident87.8Confident73 Ų7366.9 Ų66.945%0.44837%0.367SS..EExtended strand (participates in β ladder)trans-88.8125.3178.749.70000109.5C42 V43 T46C42-T48 WeakPolarHBondContact CA-O 3.3Å; V43-T48 PolarHBondContact N-O 3.18Å; T46-T48 PolarHBondContact O-N 3.44Å; T46-T48 PolarHBondContact OG1-OG1 3.2Å
49C90.6Very high87.6Confident59 Ų5969.2 Ų69.240%0.39938%0.376SS..EExtended strand (participates in β ladder)trans-119.8125.7173.6-65.10000110.7I41 C42I41-C49 CarbonylContact O-C 3.57Å; I41-C49 WeakPolarHBondContact O-CA 3.37Å; C42-C49 HydrophobicContact CB-CB 4.17Å; C42-C49 WeakPolarHBondContact CB-SG 3.48Å; C42-C49 WeakPolarHBondContact SG-CB 3.41Å; C42-C49 CovalentContact SG-SG 2.05Å; C42-C49 PolarHBondContact SG-SG 2.82Å
50T90.4Very high87.5Confident53 Ų5372.4 Ų72.433%0.32539%0.394SS..EExtended strand (participates in β ladder)trans-107.4141.117652.10000109.9R40 I41 Y130R40-T50 CarbonylContact C-O 3.49Å; R40-T50 WeakPolarHBondContact CA-O 3.49Å; R40-T50 VanDerWaalsContact CB-O 3.3Å; R40-T50 WeakPolarHBondContact CB-O 3.38Å; I41-T50 PolarHBondContact N-O 3.38Å; I41-T50 PolarHBondContact O-N 3.13Å; T50-Y130 HydrophobicContact CG2-CD1 4.18Å; T50-Y130 HydrophobicContact CG2-CE1 3.98Å; T50-Y130 WeakPolarHBondContact OG1-CE1 3.16Å
51A92.8Very high87.6Confident52 Ų5267.1 Ų67.143%0.4338%0.377SS..EExtended strand (participates in β ladder)trans-73.3144176.100000110.7T53A51-T53 HydrophobicContact CB-CG2 4.41Å
52I91.1Very high87.8Confident17 Ų1766.9 Ų66.99%0.08738%0.376CS..  trans-77.3121.6169.1-57.4-164.4000108.8D37 W39 I41 F56 Y59 I62D37-I52 WeakPolarHBondContact O-CD1 3.45Å; W39-I52 PolarHBondContact O-N 3.23Å; I41-I52 HydrophobicContact CG1-CD1 4.41Å; I41-I52 HydrophobicContact CG1-CG1 4.44Å; I52-F56 VanDerWaalsContact CA-CE2 3.42Å; I52-F56 HydrophobicContact CB-CD2 4.43Å; I52-F56 HydrophobicContact CB-CE2 4.14Å; I52-F56 HydrophobicContact CB-CZ 4.24Å; I52-F56 HydrophobicContact CG1-CE1 4.32Å; I52-F56 HydrophobicContact CG1-CE2 4.35Å; I52-F56 HydrophobicContact CG1-CZ 3.94Å; I52-F56 HydrophobicContact CG2-CB 4.26Å; I52-F56 HydrophobicContact CG2-CD1 4.24Å; I52-F56 HydrophobicContact CG2-CD2 3.82Å; I52-F56 HydrophobicContact CG2-CE1 4.44Å; I52-F56 HydrophobicContact CG2-CE2 4.01Å; I52-F56 HydrophobicContact CG2-CG 3.85Å; I52-F56 HydrophobicContact CG2-CZ 4.25Å; I52-Y59 HydrophobicContact CG2-CD2 4.01Å; I52-Y59 HydrophobicContact CG2-CE2 4.39Å; I52-I62 HydrophobicContact CG2-CG2 4.18Å
53T89.9Confident88.1Confident44 Ų4470.3 Ų70.327%0.2739%0.389SS..  trans-125.8179.1-175.863.80000111.5A51 Q55 F56 Y59A51-T53 HydrophobicContact CB-CG2 4.41Å; T53-Q55 PolarHBondContact O-N 2.97Å; T53-F56 VanDerWaalsContact N-CD2 3.29Å; T53-F56 WeakPolarHBondContact O-CB 3.47Å; T53-F56 VanDerWaalsContact O-CD2 3.25Å; T53-F56 WeakPolarHBondContact O-CD2 3.49Å; T53-F56 PolarHBondContact O-N 2.94Å; T53-F56 VanDerWaalsContact O-N 3.1Å; T53-Y59 VanDerWaalsContact C-CE2 3.48Å; T53-Y59 WeakPolarHBondContact O-CD2 3.32Å
54D88.7Confident88.4Confident126 Ų12670.9 Ų70.967%0.67440%0.396SS*.THydrogen-bonded Turntrans-61.8-9.5175.963.3-24.1000115F56 Y59D54-F56 PolarHBondContact O-N 2.85Å; D54-Y59 HydrophobicContact CB-CD1 4.01Å; D54-Y59 HydrophobicContact CB-CE1 4.11Å
55Q85Confident89.2Confident153 Ų15366.6 Ų66.672%0.71537%0.37SS*.THydrogen-bonded Turntrans-75.1-13173.7-62.9-178.6-11.800112.9T53T53-Q55 PolarHBondContact O-N 2.97Å
56F81.8Confident90Very high25 Ų2562 Ų6211%0.1135%0.345CS..SBendtrans-83.1142.6-179.7-76.5-103.9000112.8I41 I52 T53 D54 D58 Y59 E129 Y130I41-F56 HydrophobicContact CD1-CE1 3.33Å; I41-F56 HydrophobicContact CD1-CZ 3.63Å; I41-F56 HydrophobicContact CG1-CE1 4.4Å; I41-F56 HydrophobicContact CG1-CZ 4.48Å; I52-F56 VanDerWaalsContact CA-CE2 3.42Å; I52-F56 HydrophobicContact CB-CD2 4.43Å; I52-F56 HydrophobicContact CB-CE2 4.14Å; I52-F56 HydrophobicContact CB-CZ 4.24Å; I52-F56 HydrophobicContact CG1-CE1 4.32Å; I52-F56 HydrophobicContact CG1-CE2 4.35Å; I52-F56 HydrophobicContact CG1-CZ 3.94Å; I52-F56 HydrophobicContact CG2-CB 4.26Å; I52-F56 HydrophobicContact CG2-CD1 4.24Å; I52-F56 HydrophobicContact CG2-CD2 3.82Å; I52-F56 HydrophobicContact CG2-CE1 4.44Å; I52-F56 HydrophobicContact CG2-CE2 4.01Å; I52-F56 HydrophobicContact CG2-CG 3.85Å; I52-F56 HydrophobicContact CG2-CZ 4.25Å; T53-F56 VanDerWaalsContact N-CD2 3.29Å; T53-F56 WeakPolarHBondContact O-CB 3.47Å; T53-F56 VanDerWaalsContact O-CD2 3.25Å; T53-F56 WeakPolarHBondContact O-CD2 3.49Å; T53-F56 PolarHBondContact O-N 2.94Å; T53-F56 VanDerWaalsContact O-N 3.1Å; D54-F56 PolarHBondContact O-N 2.85Å; F56-D58 PolarHBondContact O-N 2.78Å; F56-Y59 WeakPolarHBondContact O-CB 3.31Å; F56-Y59 PolarHBondContact O-N 2.82Å; F56-E129 VanDerWaalsContact CA-OE2 3.24Å; F56-E129 WeakPolarHBondContact CA-OE2 3.37Å; F56-E129 VanDerWaalsContact CD1-OE2 3.32Å; F56-E129 WeakPolarHBondContact CD1-OE2 3.37Å; F56-Y130 AromaticContact CD1-CE2 3.96Å; F56-Y130 HydrophobicContact CD1-CE2 3.96Å; F56-Y130 HydrophobicContact CD2-CE2 4.15Å; F56-Y130 AromaticContact CE1-CD2 3.57Å; F56-Y130 HydrophobicContact CE1-CD2 3.57Å; F56-Y130 AromaticContact CE1-CE2 3.1Å; F56-Y130 HydrophobicContact CE1-CE2 3.1Å; F56-Y130 AromaticContact CE1-CZ 3.98Å; F56-Y130 AromaticContact CE2-CE2 3.37Å; F56-Y130 HydrophobicContact CE2-CE2 3.37Å; F56-Y130 AromaticContact CE2-CZ 3.42Å; F56-Y130 VanDerWaalsContact CE2-CZ 3.42Å; F56-Y130 WeakPolarHBondContact CE2-OH 3.39Å; F56-Y130 HydrophobicContact CG-CE2 4.45Å; F56-Y130 AromaticContact CZ-CD2 3.63Å; F56-Y130 HydrophobicContact CZ-CD2 3.63Å; F56-Y130 HydrophobicContact CZ-CE1 4.29Å; F56-Y130 AromaticContact CZ-CE2 2.82Å; F56-Y130 HydrophobicContact CZ-CE2 2.82Å; F56-Y130 AromaticContact CZ-CZ 3.2Å; F56-Y130 VanDerWaalsContact CZ-OH 3.25Å; F56-Y130 WeakPolarHBondContact CZ-OH 3.23Å
57N79.6Confident90.9Very high73 Ų7361 Ų6139%0.3934%0.344SS..THydrogen-bonded Turntrans-59.5140.2166.8-70.5-42.9000110.6Y59 R127 E129N57-Y59 PolarHBondContact O-N 3.04Å; N57-Y59 VanDerWaalsContact O-N 3.09Å; N57-R127 WeakPolarHBondContact ND2-CD 3.11Å; N57-E129 PolarHBondContact N-OE1 3.4Å; N57-E129 VanDerWaalsContact N-OE1 3.11Å; N57-E129 PolarHBondContact N-OE2 2.92Å; N57-E129 PolarHBondContact ND2-OE1 3.45Å
58D87.8Confident91.9Very high29 Ų2955.8 Ų55.816%0.15531%0.313CS..THydrogen-bonded Turntrans55.525.3179.8-155.936.9000114.2F56 Q60 S61 I62 R120 E123 L124F56-D58 PolarHBondContact O-N 2.78Å; D58-Q60 PolarHBondContact O-N 2.83Å; D58-Q60 VanDerWaalsContact O-N 3.07Å; D58-S61 WeakPolarHBondContact O-CB 3.35Å; D58-S61 PolarHBondContact O-N 3.46Å; D58-S61 PolarHBondContact OD1-OG 2.92Å; D58-S61 WeakPolarHBondContact OD2-CB 3.27Å; D58-S61 PolarHBondContact OD2-OG 3.46Å; D58-I62 PolarHBondContact O-N 3.18Å; D58-R120 VanDerWaalsContact CG-NH2 3.33Å; D58-R120 IonicContact OD1-CZ 3.05Å; D58-R120 IonicContact OD1-NE 3.67Å; D58-R120 PolarHBondContact OD1-NE 3.5Å; D58-R120 IonicContact OD1-NH2 3.1Å; D58-R120 PolarHBondContact OD1-NH2 3.32Å; D58-R120 WeakPolarHBondContact OD2-CB 3.37Å; D58-R120 IonicContact OD2-CZ 3.88Å; D58-R120 IonicContact OD2-NE 3.93Å; D58-R120 PolarHBondContact OD2-NE 3.16Å; D58-R120 IonicContact OD2-NH2 2.71Å; D58-R120 PolarHBondContact OD2-NH2 3.35Å; D58-E123 HydrophobicContact CB-CB 4.49Å; D58-L124 HydrophobicContact CB-CD2 4Å
59Y91.3Very high92.4Very high50 Ų5052.3 Ų52.320%0.19629%0.291CS..Hα-helixtrans-51.7-32.6173.5174.4-107.2000112.6I52 T53 D54 F56 N57 S61 I62 Q63I52-Y59 HydrophobicContact CG2-CD2 4.01Å; I52-Y59 HydrophobicContact CG2-CE2 4.39Å; T53-Y59 VanDerWaalsContact C-CE2 3.48Å; T53-Y59 WeakPolarHBondContact O-CD2 3.32Å; D54-Y59 HydrophobicContact CB-CD1 4.01Å; D54-Y59 HydrophobicContact CB-CE1 4.11Å; F56-Y59 WeakPolarHBondContact O-CB 3.31Å; F56-Y59 PolarHBondContact O-N 2.82Å; N57-Y59 PolarHBondContact O-N 3.04Å; N57-Y59 VanDerWaalsContact O-N 3.09Å; Y59-S61 VanDerWaalsContact C-N 3.28Å; Y59-S61 PolarHBondContact O-N 3.23Å; Y59-I62 PolarHBondContact O-N 3.22Å; Y59-Q63 HydrophobicContact CE1-CB 4.23Å; Y59-Q63 HydrophobicContact CE1-CG 4.45Å; Y59-Q63 VanDerWaalsContact O-CB 3.3Å; Y59-Q63 WeakPolarHBondContact O-CB 3.42Å; Y59-Q63 PolarHBondContact O-N 2.83Å
60Q94.3Very high92.8Very high158 Ų15852 Ų5274%0.73829%0.288SS*.Hα-helixtrans-59.4-38.6176.8-66.1-176.6-32.300112.3D58 Q63 A64D58-Q60 PolarHBondContact O-N 2.83Å; D58-Q60 VanDerWaalsContact O-N 3.07Å; Q60-Q63 PolarHBondContact O-N 3.46Å; Q60-A64 PolarHBondContact O-N 2.83Å
61S95.3Very high93.2Very high17 Ų1752.8 Ų52.812%0.11929%0.29CS..Hα-helixtrans-69.6-43.3176.7-60.80000111D58 Y59 Q63 A64 V65 R120D58-S61 WeakPolarHBondContact O-CB 3.35Å; D58-S61 PolarHBondContact O-N 3.46Å; D58-S61 PolarHBondContact OD1-OG 2.92Å; D58-S61 WeakPolarHBondContact OD2-CB 3.27Å; D58-S61 PolarHBondContact OD2-OG 3.46Å; Y59-S61 VanDerWaalsContact C-N 3.28Å; Y59-S61 PolarHBondContact O-N 3.23Å; S61-Q63 VanDerWaalsContact C-N 3.33Å; S61-Q63 PolarHBondContact O-N 3.27Å; S61-A64 WeakPolarHBondContact O-CB 3.35Å; S61-A64 PolarHBondContact O-N 3.43Å; S61-V65 WeakPolarHBondContact O-CG2 3.21Å; S61-V65 PolarHBondContact O-N 3.44Å; S61-R120 PolarHBondContact OG-NE 3.11Å
62I95.6Very high93.5Very high4 Ų450.3 Ų50.32%0.02127%0.269CS..Hα-helixtrans-61.8-40.8172.6-70.1-64.1000111.5I52 D58 Y59 A64 V65 Q66 Y117 L124I52-I62 HydrophobicContact CG2-CG2 4.18Å; D58-I62 PolarHBondContact O-N 3.18Å; Y59-I62 PolarHBondContact O-N 3.22Å; I62-A64 VanDerWaalsContact C-N 3.28Å; I62-A64 PolarHBondContact O-N 3.15Å; I62-V65 CarbonylContact O-C 2.85Å; I62-V65 WeakPolarHBondContact O-CA 3.46Å; I62-V65 WeakPolarHBondContact O-CB 3.39Å; I62-V65 PolarHBondContact O-N 3.26Å; I62-V65 VanDerWaalsContact O-N 3.11Å; I62-Q66 HydrophobicContact CG2-CG 4.17Å; I62-Q66 WeakPolarHBondContact O-CG 3.49Å; I62-Q66 PolarHBondContact O-N 3.26Å; I62-Y117 HydrophobicContact CD1-CD2 4.32Å; I62-Y117 HydrophobicContact CD1-CE2 4.23Å; I62-L124 HydrophobicContact CD1-CD1 3.72Å; I62-L124 HydrophobicContact CD1-CD2 3.83Å; I62-L124 HydrophobicContact CD1-CG 4.4Å; I62-L124 HydrophobicContact CG1-CD1 4.29Å; I62-L124 HydrophobicContact CG1-CD2 3.45Å; I62-L124 VanDerWaalsContact CG1-CD2 3.45Å
63Q97.3Very high93.9Very high99 Ų9950.1 Ų50.146%0.46327%0.268SS..Hα-helixtrans-63-37.7178-170178.733.300111.3Y59 Q60 S61 A67Y59-Q63 HydrophobicContact CE1-CB 4.23Å; Y59-Q63 HydrophobicContact CE1-CG 4.45Å; Y59-Q63 VanDerWaalsContact O-CB 3.3Å; Y59-Q63 WeakPolarHBondContact O-CB 3.42Å; Y59-Q63 PolarHBondContact O-N 2.83Å; Q60-Q63 PolarHBondContact O-N 3.46Å; S61-Q63 VanDerWaalsContact C-N 3.33Å; S61-Q63 PolarHBondContact O-N 3.27Å; Q63-A67 WeakPolarHBondContact O-CB 3.27Å; Q63-A67 PolarHBondContact O-N 3.39Å
64A97.9Very high94.3Very high35 Ų3552.2 Ų52.229%0.28928%0.277SS..Hα-helixtrans-64-43.9171.900000111.6Q60 S61 I62 A67 T68 I116Q60-A64 PolarHBondContact O-N 2.83Å; S61-A64 WeakPolarHBondContact O-CB 3.35Å; S61-A64 PolarHBondContact O-N 3.43Å; I62-A64 VanDerWaalsContact C-N 3.28Å; I62-A64 PolarHBondContact O-N 3.15Å; A64-A67 PolarHBondContact O-N 2.97Å; A64-T68 WeakPolarHBondContact O-CB 3.16Å; A64-T68 VanDerWaalsContact O-CG2 3.31Å; A64-T68 WeakPolarHBondContact O-CG2 3.41Å; A64-T68 PolarHBondContact O-N 3.26Å; A64-T68 PolarHBondContact O-OG1 3.48Å; A64-I116 HydrophobicContact CB-CD1 4.09Å
65V98.2Very high94.8Very high1 Ų148.8 Ų48.81%0.00626%0.256CS..Hα-helixtrans-60.3-48.2174.8174.10000111W28 S61 I62 A67 T68 M69 A113 I116W28-V65 HydrophobicContact CE3-CG1 4.49Å; W28-V65 HydrophobicContact CH2-CG1 3.87Å; W28-V65 HydrophobicContact CZ3-CG1 3.83Å; S61-V65 WeakPolarHBondContact O-CG2 3.21Å; S61-V65 PolarHBondContact O-N 3.44Å; I62-V65 CarbonylContact O-C 2.85Å; I62-V65 WeakPolarHBondContact O-CA 3.46Å; I62-V65 WeakPolarHBondContact O-CB 3.39Å; I62-V65 PolarHBondContact O-N 3.26Å; I62-V65 VanDerWaalsContact O-N 3.11Å; V65-A67 PolarHBondContact O-N 3.5Å; V65-T68 WeakPolarHBondContact CA-OG1 3.4Å; V65-T68 PolarHBondContact O-N 3.05Å; V65-T68 PolarHBondContact O-OG1 2.99Å; V65-T68 VanDerWaalsContact O-OG1 3.12Å; V65-M69 HydrophobicContact CG1-CG 4.15Å; V65-M69 VanDerWaalsContact O-CB 3.3Å; V65-M69 WeakPolarHBondContact O-CB 3.45Å; V65-M69 VanDerWaalsContact O-CG 3.23Å; V65-M69 WeakPolarHBondContact O-CG 3.35Å; V65-M69 PolarHBondContact O-N 2.94Å; V65-A113 HydrophobicContact CG1-CB 4.34Å; V65-I116 HydrophobicContact CG2-CB 4.27Å; V65-I116 HydrophobicContact CG2-CG2 4.01Å
66Q98.2Very high95.4Very high19 Ų1941.5 Ų41.59%0.08922%0.222CC..Hα-helixtrans-54.9-53.4176.1-74.2169.6-10.200111.5V38 W39 I62 T68 M69 V70V38-Q66 HydrophobicContact CG1-CG 3.9Å; V38-Q66 VanDerWaalsContact O-CD 3.31Å; V38-Q66 WeakPolarHBondContact O-CG 3.39Å; V38-Q66 PolarHBondContact O-NE2 3.48Å; W39-Q66 HydrophobicContact CE3-CG 4.17Å; W39-Q66 HydrophobicContact CH2-CB 4.02Å; W39-Q66 HydrophobicContact CH2-CG 4.11Å; W39-Q66 HydrophobicContact CZ3-CB 4.2Å; W39-Q66 HydrophobicContact CZ3-CG 3.92Å; I62-Q66 HydrophobicContact CG2-CG 4.17Å; I62-Q66 WeakPolarHBondContact O-CG 3.49Å; I62-Q66 PolarHBondContact O-N 3.26Å; Q66-T68 PolarHBondContact O-N 2.95Å; Q66-M69 PolarHBondContact O-N 3.35Å; Q66-V70 WeakPolarHBondContact O-CB 3.46Å; Q66-V70 VanDerWaalsContact O-CG2 3.29Å; Q66-V70 WeakPolarHBondContact O-CG2 3.36Å; Q66-V70 PolarHBondContact O-N 2.97Å
67A98.4Very high96.2Very high59 Ų5942.6 Ų42.649%0.48823%0.232SC..Hα-helixtrans-62.6-43.7-177.400000111.8Q63 A64 V65 L71Q63-A67 WeakPolarHBondContact O-CB 3.27Å; Q63-A67 PolarHBondContact O-N 3.39Å; A64-A67 PolarHBondContact O-N 2.97Å; V65-A67 PolarHBondContact O-N 3.5Å; A67-L71 VanDerWaalsContact O-CB 3.25Å; A67-L71 WeakPolarHBondContact O-CB 3.28Å; A67-L71 PolarHBondContact O-N 2.66Å
68T98.4Very high97.1Very high25 Ų2541.9 Ų41.915%0.15323%0.231CC..Hα-helixtrans-72.2-37.1-178.851.60000112.5A64 V65 Q66 L71 S72 C109 I112 A113A64-T68 WeakPolarHBondContact O-CB 3.16Å; A64-T68 VanDerWaalsContact O-CG2 3.31Å; A64-T68 WeakPolarHBondContact O-CG2 3.41Å; A64-T68 PolarHBondContact O-N 3.26Å; A64-T68 PolarHBondContact O-OG1 3.48Å; V65-T68 WeakPolarHBondContact CA-OG1 3.4Å; V65-T68 PolarHBondContact O-N 3.05Å; V65-T68 PolarHBondContact O-OG1 2.99Å; V65-T68 VanDerWaalsContact O-OG1 3.12Å; Q66-T68 PolarHBondContact O-N 2.95Å; T68-L71 PolarHBondContact O-N 3.36Å; T68-S72 WeakPolarHBondContact O-CB 3.35Å; T68-S72 PolarHBondContact O-N 3.1Å; T68-C109 WeakPolarHBondContact O-CB 3.15Å; T68-I112 HydrophobicContact CG2-CG2 4.14Å; T68-A113 VanDerWaalsContact OG1-CB 3.23Å; T68-A113 WeakPolarHBondContact OG1-CB 3Å
69M98.7Very high97.6Very high0 Ų040.5 Ų40.50%022%0.223CC..Hα-helixtrans-64.8-43.8173-72.1-55.3-59.900112S22 T23 W28 V65 Q66 L71 S72 T73 A113 A146S22-M69 WeakPolarHBondContact OG-CE 3.23Å; T23-M69 HydrophobicContact CG2-CB 4.02Å; T23-M69 WeakPolarHBondContact OG1-CE 3.34Å; W28-M69 HydrophobicContact CH2-CE 4.4Å; W28-M69 HydrophobicContact CH2-CG 3.91Å; W28-M69 HydrophobicContact CH2-SD 3.73Å; W28-M69 HydrophobicContact CZ2-CE 3.91Å; W28-M69 HydrophobicContact CZ2-CG 3.88Å; W28-M69 HydrophobicContact CZ2-SD 3.82Å; V65-M69 HydrophobicContact CG1-CG 4.15Å; V65-M69 VanDerWaalsContact O-CB 3.3Å; V65-M69 WeakPolarHBondContact O-CB 3.45Å; V65-M69 VanDerWaalsContact O-CG 3.23Å; V65-M69 WeakPolarHBondContact O-CG 3.35Å; V65-M69 PolarHBondContact O-N 2.94Å; Q66-M69 PolarHBondContact O-N 3.35Å; M69-L71 PolarHBondContact O-N 3.31Å; M69-S72 PolarHBondContact O-N 2.9Å; M69-S72 PolarHBondContact O-OG 2.93Å; M69-T73 PolarHBondContact O-N 3.44Å; M69-T73 VanDerWaalsContact O-N 3.11Å; M69-T73 PolarHBondContact O-OG1 3.39Å; M69-A113 HydrophobicContact CG-CB 3.75Å; M69-A113 HydrophobicContact SD-CB 3.5Å; M69-A113 VanDerWaalsContact SD-CB 3.5Å; M69-A146 HydrophobicContact CE-CB 4.4Å
70V98.8Very high97.9Very high54 Ų5440.7 Ų40.733%0.32723%0.225SC..Hα-helixtrans-60.7-47.3173.81700000110.8T23 W39 Q66 S72 T73 I74T23-V70 HydrophobicContact CG2-CG2 4.31Å; W39-V70 HydrophobicContact CH2-CG2 3.98Å; W39-V70 HydrophobicContact CZ2-CG2 3.9Å; Q66-V70 WeakPolarHBondContact O-CB 3.46Å; Q66-V70 VanDerWaalsContact O-CG2 3.29Å; Q66-V70 WeakPolarHBondContact O-CG2 3.36Å; Q66-V70 PolarHBondContact O-N 2.97Å; V70-S72 VanDerWaalsContact C-N 3.3Å; V70-S72 PolarHBondContact O-N 3.26Å; V70-T73 PolarHBondContact O-N 3.45Å; V70-I74 HydrophobicContact CG1-CD1 3.81Å; V70-I74 HydrophobicContact CG1-CG1 4.45Å; V70-I74 WeakPolarHBondContact O-CG1 3.3Å; V70-I74 PolarHBondContact O-N 3.39Å
71L98.6Very high98Very high69 Ų6938.5 Ų38.536%0.36122%0.218SC..Hα-helixtrans-63-38.6180-171.958.5000111.8A67 T68 M69 T73 I74 F75A67-L71 VanDerWaalsContact O-CB 3.25Å; A67-L71 WeakPolarHBondContact O-CB 3.28Å; A67-L71 PolarHBondContact O-N 2.66Å; T68-L71 PolarHBondContact O-N 3.36Å; M69-L71 PolarHBondContact O-N 3.31Å; L71-T73 PolarHBondContact O-N 3.03Å; L71-I74 PolarHBondContact O-N 3.15Å; L71-F75 HydrophobicContact CD1-CD2 4.02Å; L71-F75 HydrophobicContact CD1-CE1 4.19Å; L71-F75 HydrophobicContact CD1-CE2 3.53Å; L71-F75 HydrophobicContact CD1-CZ 3.62Å; L71-F75 HydrophobicContact CD2-CE2 3.76Å; L71-F75 HydrophobicContact CD2-CZ 4.33Å; L71-F75 HydrophobicContact CG-CD2 3.76Å; L71-F75 HydrophobicContact CG-CE2 3.39Å; L71-F75 HydrophobicContact CG-CZ 4.02Å; L71-F75 WeakPolarHBondContact O-CD2 3.25Å; L71-F75 PolarHBondContact O-N 2.94Å
72S98.8Very high98.1Very high0 Ų038.8 Ų38.80%022%0.219CC..Hα-helixtrans-61.3-43.7175.876.70000112.4T68 M69 V70 F75 C76 S106 V110T68-S72 WeakPolarHBondContact O-CB 3.35Å; T68-S72 PolarHBondContact O-N 3.1Å; M69-S72 PolarHBondContact O-N 2.9Å; M69-S72 PolarHBondContact O-OG 2.93Å; V70-S72 VanDerWaalsContact C-N 3.3Å; V70-S72 PolarHBondContact O-N 3.26Å; S72-F75 PolarHBondContact O-N 3.25Å; S72-C76 WeakPolarHBondContact O-CB 3.25Å; S72-C76 PolarHBondContact O-N 3.31Å; S72-S106 WeakPolarHBondContact O-CB 3.44Å; S72-S106 PolarHBondContact O-OG 3.31Å; S72-V110 VanDerWaalsContact CB-CG2 3.44Å
73T98.6Very high98.1Very high12 Ų1238.6 Ų38.67%0.07422%0.218CC..Hα-helixtrans-64.2-44.9177.5-60.10000110.8F20 T23 M69 V70 L71 C76 C77F20-T73 HydrophobicContact CD1-CG2 3.9Å; F20-T73 HydrophobicContact CD2-CG2 4.05Å; F20-T73 HydrophobicContact CE1-CG2 3.59Å; F20-T73 HydrophobicContact CE2-CG2 3.73Å; F20-T73 HydrophobicContact CG-CG2 4.13Å; F20-T73 HydrophobicContact CZ-CG2 3.49Å; F20-T73 VanDerWaalsContact CZ-CG2 3.49Å; T23-T73 PolarHBondContact OG1-OG1 3.28Å; M69-T73 PolarHBondContact O-N 3.44Å; M69-T73 VanDerWaalsContact O-N 3.11Å; M69-T73 PolarHBondContact O-OG1 3.39Å; V70-T73 PolarHBondContact O-N 3.45Å; L71-T73 PolarHBondContact O-N 3.03Å; T73-C76 PolarHBondContact O-N 2.8Å; T73-C77 PolarHBondContact O-N 3.28Å; T73-C77 PolarHBondContact O-SG 3.11Å; T73-C77 VanDerWaalsContact O-SG 3.39Å
74I98.8Very high97.9Very high88 Ų8836.5 Ų36.545%0.45121%0.209SC..Hα-helixtrans-59.3-51176.2-68.7169.2000110.6V70 L71 C76 C77 V78V70-I74 HydrophobicContact CG1-CD1 3.81Å; V70-I74 HydrophobicContact CG1-CG1 4.45Å; V70-I74 WeakPolarHBondContact O-CG1 3.3Å; V70-I74 PolarHBondContact O-N 3.39Å; L71-I74 PolarHBondContact O-N 3.15Å; I74-C76 VanDerWaalsContact C-N 3.33Å; I74-C76 PolarHBondContact O-N 3.31Å; I74-C77 PolarHBondContact O-N 3.32Å; I74-V78 HydrophobicContact CG2-CG2 4.24Å; I74-V78 WeakPolarHBondContact O-CG2 3.43Å; I74-V78 PolarHBondContact O-N 3.34Å
75F98.8Very high97.7Very high54 Ų5440 Ų4024%0.23722%0.223CC..Hα-helixtrans-63-38.1-180-74.5-36.9000112.5L71 S72 C77 V78 A79 I102 L105L71-F75 HydrophobicContact CD1-CD2 4.02Å; L71-F75 HydrophobicContact CD1-CE1 4.19Å; L71-F75 HydrophobicContact CD1-CE2 3.53Å; L71-F75 HydrophobicContact CD1-CZ 3.62Å; L71-F75 HydrophobicContact CD2-CE2 3.76Å; L71-F75 HydrophobicContact CD2-CZ 4.33Å; L71-F75 HydrophobicContact CG-CD2 3.76Å; L71-F75 HydrophobicContact CG-CE2 3.39Å; L71-F75 HydrophobicContact CG-CZ 4.02Å; L71-F75 WeakPolarHBondContact O-CD2 3.25Å; L71-F75 PolarHBondContact O-N 2.94Å; S72-F75 PolarHBondContact O-N 3.25Å; F75-C77 VanDerWaalsContact C-N 3.35Å; F75-C77 PolarHBondContact O-N 2.82Å; F75-V78 PolarHBondContact O-N 2.99Å; F75-A79 VanDerWaalsContact O-CB 3.27Å; F75-A79 WeakPolarHBondContact O-CB 3.48Å; F75-A79 PolarHBondContact O-N 3.12Å; F75-I102 HydrophobicContact CB-CG2 4.14Å; F75-I102 HydrophobicContact CD1-CG2 4.15Å; F75-I102 HydrophobicContact CG-CG2 4.48Å; F75-I102 WeakPolarHBondContact O-CG2 3.31Å; F75-L105 HydrophobicContact CD2-CB 3.84Å; F75-L105 HydrophobicContact CE2-CB 4.01Å; F75-L105 HydrophobicContact CG-CB 4.32Å; F75-L105 HydrophobicContact CZ-CD1 4.49Å
76C98.6Very high97.5Very high0 Ų041.2 Ų41.20%023%0.228CC..Hα-helixtrans-61.5-43.2174.9-172.40000111.5H12 L19 S72 T73 I74 F80H12-C76 PolarHBondContact NE2-O 3.47Å; L19-C76 HydrophobicContact CD1-CB 3.47Å; L19-C76 VanDerWaalsContact CD1-CB 3.47Å; S72-C76 WeakPolarHBondContact O-CB 3.25Å; S72-C76 PolarHBondContact O-N 3.31Å; T73-C76 PolarHBondContact O-N 2.8Å; I74-C76 VanDerWaalsContact C-N 3.33Å; I74-C76 PolarHBondContact O-N 3.31Å; C76-F80 PolarHBondContact O-N 3.38Å; C76-F80 VanDerWaalsContact O-N 3.08Å
77C98.4Very high97.1Very high48 Ų4842.2 Ų42.232%0.32423%0.234SC..Hα-helixtrans-65.3-44.3175.9-70.80000112.3T73 I74 F75 F80 L81T73-C77 PolarHBondContact O-N 3.28Å; T73-C77 PolarHBondContact O-SG 3.11Å; T73-C77 VanDerWaalsContact O-SG 3.39Å; I74-C77 PolarHBondContact O-N 3.32Å; F75-C77 VanDerWaalsContact C-N 3.35Å; F75-C77 PolarHBondContact O-N 2.82Å; C77-F80 WeakPolarHBondContact O-CB 3.39Å; C77-F80 PolarHBondContact O-N 3.38Å; C77-L81 PolarHBondContact O-N 2.95Å; C77-L81 VanDerWaalsContact O-N 3.08Å
78V98.6Very high96.7Very high58 Ų5847.3 Ų47.335%0.35225%0.246SC..Hα-helixtrans-63.8-43177.4173.90000110.8I74 F75 F80 L81 V82 I102I74-V78 HydrophobicContact CG2-CG2 4.24Å; I74-V78 WeakPolarHBondContact O-CG2 3.43Å; I74-V78 PolarHBondContact O-N 3.34Å; F75-V78 PolarHBondContact O-N 2.99Å; V78-F80 VanDerWaalsContact C-N 3.25Å; V78-F80 PolarHBondContact O-N 3.32Å; V78-L81 PolarHBondContact O-N 3.49Å; V78-V82 HydrophobicContact CG1-CG2 4.19Å; V78-V82 WeakPolarHBondContact O-CB 3.37Å; V78-V82 VanDerWaalsContact O-CG2 3.31Å; V78-V82 WeakPolarHBondContact O-CG2 3.22Å; V78-V82 PolarHBondContact O-N 3.27Å; V78-I102 HydrophobicContact CB-CG2 4.29Å; V78-I102 HydrophobicContact CG1-CD1 4.19Å; V78-I102 HydrophobicContact CG1-CG2 4.19Å
79A98.2Very high96.3Very high0 Ų056.7 Ų56.70%028%0.278CS..Hα-helixtrans-57.5-40.7174.600000111.2F75 V82 F83 I102 Q103F75-A79 VanDerWaalsContact O-CB 3.27Å; F75-A79 WeakPolarHBondContact O-CB 3.48Å; F75-A79 PolarHBondContact O-N 3.12Å; A79-V82 PolarHBondContact O-N 3.45Å; A79-F83 WeakPolarHBondContact O-CB 3.45Å; A79-F83 PolarHBondContact O-N 2.88Å; A79-I102 HydrophobicContact CB-CB 4.07Å; A79-I102 HydrophobicContact CB-CG2 3.88Å; A79-Q103 HydrophobicContact CB-CB 4.1Å
80F97Very high95.9Very high55 Ų5557.7 Ų57.724%0.24128%0.283CS..Hα-helixtrans-61.8-48175.9-168.8-122.6000112.2I9 H12 I13 C76 C77 V78 V82 F83 I84I9-F80 HydrophobicContact CG2-CE2 4.22Å; I9-F80 HydrophobicContact CG2-CZ 4.28Å; H12-F80 HydrophobicContact CB-CD2 4.21Å; H12-F80 AromaticContact CD2-CD2 3.48Å; H12-F80 VanDerWaalsContact CD2-CD2 3.48Å; H12-F80 WeakPolarHBondContact CD2-CD2 3.32Å; H12-F80 AromaticContact CD2-CG 3.8Å; H12-F80 AromaticContact CG-CD2 3.88Å; H12-F80 WeakPolarHBondContact NE2-CB 3.49Å; H12-F80 PolarHBondContact NE2-N 2.9Å; I13-F80 HydrophobicContact CG1-CZ 4.41Å; C76-F80 PolarHBondContact O-N 3.38Å; C76-F80 VanDerWaalsContact O-N 3.08Å; C77-F80 WeakPolarHBondContact O-CB 3.39Å; C77-F80 PolarHBondContact O-N 3.38Å; V78-F80 VanDerWaalsContact C-N 3.25Å; V78-F80 PolarHBondContact O-N 3.32Å; F80-V82 PolarHBondContact O-N 3.4Å; F80-F83 WeakPolarHBondContact O-CB 3.2Å; F80-F83 PolarHBondContact O-N 3.27Å; F80-I84 HydrophobicContact CE2-CD1 4.38Å; F80-I84 HydrophobicContact CZ-CD1 4.3Å; F80-I84 HydrophobicContact CZ-CG1 4.41Å; F80-I84 WeakPolarHBondContact O-CG1 3.23Å; F80-I84 PolarHBondContact O-N 3.47Å
81L97.1Very high95.4Very high111 Ų11162.3 Ų62.358%0.58130%0.299SS*.Hα-helixtrans-62.4-44.7178.6-66176.1000111.4C77 V78 F83 I84 L85C77-L81 PolarHBondContact O-N 2.95Å; C77-L81 VanDerWaalsContact O-N 3.08Å; V78-L81 PolarHBondContact O-N 3.49Å; L81-F83 VanDerWaalsContact C-N 3.3Å; L81-F83 PolarHBondContact O-N 3.17Å; L81-I84 PolarHBondContact O-N 3.41Å; L81-L85 WeakPolarHBondContact O-CG 3.31Å; L81-L85 PolarHBondContact O-N 3Å
82V96.8Very high94.9Very high23 Ų2364.2 Ų64.214%0.13931%0.306CS..Hα-helixtrans-61.8-39.7176.3172.50000111V78 A79 F80 I84 L85 Q86 L98 I102V78-V82 HydrophobicContact CG1-CG2 4.19Å; V78-V82 WeakPolarHBondContact O-CB 3.37Å; V78-V82 VanDerWaalsContact O-CG2 3.31Å; V78-V82 WeakPolarHBondContact O-CG2 3.22Å; V78-V82 PolarHBondContact O-N 3.27Å; A79-V82 PolarHBondContact O-N 3.45Å; F80-V82 PolarHBondContact O-N 3.4Å; V82-I84 PolarHBondContact O-N 2.92Å; V82-L85 PolarHBondContact O-N 3.24Å; V82-Q86 HydrophobicContact CG1-CG 4.27Å; V82-Q86 WeakPolarHBondContact O-CB 3.43Å; V82-Q86 WeakPolarHBondContact O-CG 3.42Å; V82-Q86 PolarHBondContact O-N 2.91Å; V82-L98 HydrophobicContact CG1-CB 4.25Å; V82-L98 HydrophobicContact CG1-CD2 3.75Å; V82-L98 HydrophobicContact CG1-CG 3.87Å; V82-I102 HydrophobicContact CB-CD1 4.42Å; V82-I102 HydrophobicContact CG1-CD1 4.47Å; V82-I102 HydrophobicContact CG2-CD1 3.92Å
83F95.4Very high94.2Very high1 Ų166.2 Ų66.20%0.00433%0.327CS..Hα-helixtrans-57.8-50.6174.9175.4-120.4000111.4L5 I8 I9 A79 F80 L81 L85 Q86 L87 F96 T99 Y160L5-F83 HydrophobicContact CD1-CE1 3.95Å; L5-F83 HydrophobicContact CD1-CZ 3.55Å; I8-F83 HydrophobicContact CG2-CE1 3.96Å; I8-F83 HydrophobicContact CG2-CE2 4.39Å; I8-F83 HydrophobicContact CG2-CZ 3.75Å; I9-F83 HydrophobicContact CG1-CE1 3.99Å; A79-F83 WeakPolarHBondContact O-CB 3.45Å; A79-F83 PolarHBondContact O-N 2.88Å; F80-F83 WeakPolarHBondContact O-CB 3.2Å; F80-F83 PolarHBondContact O-N 3.27Å; L81-F83 VanDerWaalsContact C-N 3.3Å; L81-F83 PolarHBondContact O-N 3.17Å; F83-L85 VanDerWaalsContact C-N 3.31Å; F83-L85 PolarHBondContact O-N 3.02Å; F83-Q86 PolarHBondContact O-N 3.43Å; F83-Q86 VanDerWaalsContact O-N 3.15Å; F83-L87 HydrophobicContact CD1-CD1 4.36Å; F83-L87 HydrophobicContact CE1-CD1 3.89Å; F83-L87 HydrophobicContact CE1-CG 4.37Å; F83-L87 HydrophobicContact CE2-CD2 3.91Å; F83-L87 HydrophobicContact CE2-CG 4.15Å; F83-L87 HydrophobicContact CZ-CD1 4Å; F83-L87 HydrophobicContact CZ-CD2 3.84Å; F83-L87 HydrophobicContact CZ-CG 4.08Å; F83-L87 WeakPolarHBondContact O-CG 3.37Å; F83-L87 PolarHBondContact O-N 2.68Å; F83-F96 AromaticContact CD2-CD1 3.74Å; F83-F96 HydrophobicContact CD2-CD1 3.74Å; F83-F96 HydrophobicContact CD2-CE1 4Å; F83-F96 HydrophobicContact CD2-CG 4.3Å; F83-F96 AromaticContact CE2-CD1 3.86Å; F83-F96 HydrophobicContact CE2-CD1 3.86Å; F83-F96 AromaticContact CE2-CE1 3.77Å; F83-F96 HydrophobicContact CE2-CE1 3.77Å; F83-F96 HydrophobicContact CE2-CG 4.29Å; F83-F96 HydrophobicContact CE2-CZ 4.13Å; F83-T99 VanDerWaalsContact CA-OG1 3.27Å; F83-T99 WeakPolarHBondContact CA-OG1 3.34Å; F83-T99 HydrophobicContact CB-CG2 3.69Å; F83-T99 HydrophobicContact CD2-CG2 4.35Å; F83-T99 HydrophobicContact CG-CG2 4.37Å; F83-T99 PolarHBondContact N-OG1 3.04Å; F83-Y160 HydrophobicContact CB-CE1 4.48Å; F83-Y160 HydrophobicContact CD1-CE1 4.27Å; F83-Y160 AromaticContact CD2-CD1 3.93Å; F83-Y160 HydrophobicContact CD2-CD1 3.93Å; F83-Y160 AromaticContact CD2-CE1 3.32Å; F83-Y160 HydrophobicContact CD2-CE1 3.32Å; F83-Y160 HydrophobicContact CE1-CE1 4.35Å; F83-Y160 HydrophobicContact CE2-CD1 4.08Å; F83-Y160 AromaticContact CE2-CE1 3.46Å; F83-Y160 HydrophobicContact CE2-CE1 3.46Å; F83-Y160 VanDerWaalsContact CE2-CE1 3.46Å; F83-Y160 AromaticContact CG-CE1 3.76Å; F83-Y160 HydrophobicContact CG-CE1 3.76Å; F83-Y160 AromaticContact CZ-CE1 3.97Å; F83-Y160 HydrophobicContact CZ-CE1 3.97Å
84I93.6Very high93.9Very high55 Ų5569.9 Ų69.928%0.28234%0.343SS..Hα-helixtrans-59.3-43.3177.6-61.6-55.7000110.9F80 L81 V82 Q86 L87 F88F80-I84 HydrophobicContact CE2-CD1 4.38Å; F80-I84 HydrophobicContact CZ-CD1 4.3Å; F80-I84 HydrophobicContact CZ-CG1 4.41Å; F80-I84 WeakPolarHBondContact O-CG1 3.23Å; F80-I84 PolarHBondContact O-N 3.47Å; L81-I84 PolarHBondContact O-N 3.41Å; V82-I84 PolarHBondContact O-N 2.92Å; I84-Q86 PolarHBondContact O-N 2.89Å; I84-L87 HydrophobicContact CD1-CD1 3.98Å; I84-L87 WeakPolarHBondContact O-CB 3.42Å; I84-L87 PolarHBondContact O-N 3.43Å; I84-F88 HydrophobicContact CG2-CD2 4.44Å; I84-F88 HydrophobicContact CG2-CE2 3.88Å; I84-F88 WeakPolarHBondContact O-CD2 3.35Å
85L94Very high93.5Very high109 Ų10970.6 Ų70.657%0.57134%0.34SS*.Hα-helixtrans-62.2-42175.9-67.8174.2000112.2L81 V82 F83 L87 F88 R89L81-L85 WeakPolarHBondContact O-CG 3.31Å; L81-L85 PolarHBondContact O-N 3Å; V82-L85 PolarHBondContact O-N 3.24Å; F83-L85 VanDerWaalsContact C-N 3.31Å; F83-L85 PolarHBondContact O-N 3.02Å; L85-L87 VanDerWaalsContact C-N 3.31Å; L85-L87 PolarHBondContact O-N 2.94Å; L85-F88 PolarHBondContact O-N 2.88Å; L85-R89 WeakPolarHBondContact O-CB 3.31Å; L85-R89 WeakPolarHBondContact O-CG 3.4Å; L85-R89 PolarHBondContact O-N 3.35Å
86Q92.9Very high93.3Very high26 Ų2668.6 Ų68.612%0.12133%0.331CS..Hα-helixtrans-65.6-32.3176.6-73.9-168.2-48.200111.9V82 F83 I84 F88 R89 L90 F96 T99V82-Q86 HydrophobicContact CG1-CG 4.27Å; V82-Q86 WeakPolarHBondContact O-CB 3.43Å; V82-Q86 WeakPolarHBondContact O-CG 3.42Å; V82-Q86 PolarHBondContact O-N 2.91Å; F83-Q86 PolarHBondContact O-N 3.43Å; F83-Q86 VanDerWaalsContact O-N 3.15Å; I84-Q86 PolarHBondContact O-N 2.89Å; Q86-F88 PolarHBondContact O-N 2.79Å; Q86-R89 PolarHBondContact O-N 3.49Å; Q86-L90 HydrophobicContact CB-CB 4.43Å; Q86-L90 HydrophobicContact CB-CD1 4.16Å; Q86-L90 HydrophobicContact CG-CD1 4.06Å; Q86-L90 WeakPolarHBondContact O-CB 3.41Å; Q86-L90 PolarHBondContact O-N 2.65Å; Q86-F96 HydrophobicContact CB-CD1 3.66Å; Q86-F96 HydrophobicContact CB-CE1 3.94Å; Q86-T99 PolarHBondContact OE1-OG1 2.68Å
87L90.7Very high93.1Very high40 Ų4071.9 Ų71.921%0.20935%0.351CS..Hα-helixtrans-56.2-39.6174.3-69.7173.3000112L5 F83 I84 L85 F96 K165L5-L87 HydrophobicContact CD1-CD1 3.86Å; L5-L87 HydrophobicContact CD1-CD2 3.8Å; L5-L87 HydrophobicContact CD1-CG 4.49Å; F83-L87 HydrophobicContact CD1-CD1 4.36Å; F83-L87 HydrophobicContact CE1-CD1 3.89Å; F83-L87 HydrophobicContact CE1-CG 4.37Å; F83-L87 HydrophobicContact CE2-CD2 3.91Å; F83-L87 HydrophobicContact CE2-CG 4.15Å; F83-L87 HydrophobicContact CZ-CD1 4Å; F83-L87 HydrophobicContact CZ-CD2 3.84Å; F83-L87 HydrophobicContact CZ-CG 4.08Å; F83-L87 WeakPolarHBondContact O-CG 3.37Å; F83-L87 PolarHBondContact O-N 2.68Å; I84-L87 HydrophobicContact CD1-CD1 3.98Å; I84-L87 WeakPolarHBondContact O-CB 3.42Å; I84-L87 PolarHBondContact O-N 3.43Å; L85-L87 VanDerWaalsContact C-N 3.31Å; L85-L87 PolarHBondContact O-N 2.94Å; L87-F96 HydrophobicContact CD2-CE1 3.89Å; L87-F96 HydrophobicContact CD2-CZ 3.86Å; L87-F96 HydrophobicContact CG-CE1 4.4Å; L87-K165 WeakPolarHBondContact O-CE 3.19Å; L87-K165 PolarHBondContact O-NZ 3.39Å
88F89.7Confident93Very high166 Ų16674 Ų7473%0.72836%0.359SS*.Hα-helixtrans-86.9-41.2-180-60-69.1000113.5I84 L85 Q86I84-F88 HydrophobicContact CG2-CD2 4.44Å; I84-F88 HydrophobicContact CG2-CE2 3.88Å; I84-F88 WeakPolarHBondContact O-CD2 3.35Å; L85-F88 PolarHBondContact O-N 2.88Å; Q86-F88 PolarHBondContact O-N 2.79Å
89R90.9Very high93Very high222 Ų22271.2 Ų71.284%0.83834%0.342SS*.Hα-helixtrans-88.3-29.3-169.9-67.2-70-171.5168.51114.8L85 Q86L85-R89 WeakPolarHBondContact O-CB 3.31Å; L85-R89 WeakPolarHBondContact O-CG 3.4Å; L85-R89 PolarHBondContact O-N 3.35Å; Q86-R89 PolarHBondContact O-N 3.49Å
90L89.6Confident92.9Very high21 Ų2171.2 Ų71.211%0.1134%0.342CS..SBendtrans-69.1142.7-171.7-154.7101.7000110.6Q86 E94 K165Q86-L90 HydrophobicContact CB-CB 4.43Å; Q86-L90 HydrophobicContact CB-CD1 4.16Å; Q86-L90 HydrophobicContact CG-CD1 4.06Å; Q86-L90 WeakPolarHBondContact O-CB 3.41Å; Q86-L90 PolarHBondContact O-N 2.65Å; L90-E94 HydrophobicContact CD1-CB 4.27Å; L90-E94 VanDerWaalsContact CD2-C 3.42Å; L90-E94 HydrophobicContact CD2-CB 3.37Å; L90-E94 VanDerWaalsContact CD2-O 3.32Å; L90-E94 WeakPolarHBondContact CD2-O 3.38Å; L90-E94 HydrophobicContact CG-CB 3.56Å; L90-E94 WeakPolarHBondContact CG-OE2 3.48Å; L90-K165 HydrophobicContact CB-CD 4.08Å; L90-K165 HydrophobicContact CD2-CB 3.87Å; L90-K165 HydrophobicContact CD2-CD 4.37Å; L90-K165 VanDerWaalsContact O-CD 3.26Å; L90-K165 WeakPolarHBondContact O-CD 3.44Å; L90-K165 WeakPolarHBondContact O-CE 3.42Å; L90-K165 PolarHBondContact O-NZ 3.15Å
91K89.4Confident93Very high151 Ų15172.9 Ų72.966%0.65735%0.352SS*.PPolyproline II helixtrans-73.8156.9175.3-65.6178.1-178.9173.80110G93 E94K91-G93 PolarHBondContact O-N 3.2Å; K91-E94 HydrophobicContact CB-CG 4.15Å; K91-E94 PolarHBondContact N-OE2 3.04Å; K91-E94 WeakPolarHBondContact O-CB 3.5Å; K91-E94 PolarHBondContact O-N 3.46Å
92Q86.9Confident93Very high108 Ų10868.7 Ų68.751%0.50533%0.33SS..THydrogen-bonded Turntrans-62.7135.6175.4-161.7-166.7-23.200110.4E94 K167Q92-E94 VanDerWaalsContact C-N 3.34Å; Q92-K167 VanDerWaalsContact CD-CA 3.47Å; Q92-K167 VanDerWaalsContact CD-CG 3.45Å; Q92-K167 VanDerWaalsContact NE2-N 3.17Å; Q92-K167 VanDerWaalsContact OE1-CE 3.32Å; Q92-K167 VanDerWaalsContact OE1-CG 3.25Å
93G84.5Confident93.1Very high42 Ų4267.6 Ų67.643%0.43332%0.323SS..THydrogen-bonded Turntrans91.4-16.9-177.400000114.6K91 K165K91-G93 PolarHBondContact O-N 3.2Å; G93-K165 WeakPolarHBondContact CA-O 3.37Å; G93-K165 PolarHBondContact N-O 3.01Å
94E91.1Very high93.3Very high89 Ų8970.3 Ų70.342%0.41634%0.338SS..  trans-73.6159.5176.4-70.1-177.8161.400111.8L90 K91 Q92 R164 K165L90-E94 HydrophobicContact CD1-CB 4.27Å; L90-E94 VanDerWaalsContact CD2-C 3.42Å; L90-E94 HydrophobicContact CD2-CB 3.37Å; L90-E94 VanDerWaalsContact CD2-O 3.32Å; L90-E94 WeakPolarHBondContact CD2-O 3.38Å; L90-E94 HydrophobicContact CG-CB 3.56Å; L90-E94 WeakPolarHBondContact CG-OE2 3.48Å; K91-E94 HydrophobicContact CB-CG 4.15Å; K91-E94 PolarHBondContact N-OE2 3.04Å; K91-E94 WeakPolarHBondContact O-CB 3.5Å; K91-E94 PolarHBondContact O-N 3.46Å; Q92-E94 VanDerWaalsContact C-N 3.34Å; E94-R164 CarbonylContact O-C 3.54Å; E94-R164 VanDerWaalsContact O-CA 3.32Å; E94-R164 WeakPolarHBondContact O-CA 3.01Å; E94-K165 PolarHBondContact O-N 2.77Å
95R90.9Very high93.5Very high104 Ų10471.1 Ų71.139%0.39234%0.342SS..BIsolated β-bridgetrans-103.3156.3-178.8-70174.5164.8167.33.9111.6V97 L161 L163 R164R95-V97 HydrophobicContact CB-CG2 3.76Å; R95-V97 PolarHBondContact O-N 3.41Å; R95-L161 VanDerWaalsContact CD-O 3.28Å; R95-L161 WeakPolarHBondContact CD-O 3.24Å; R95-L163 WeakPolarHBondContact CA-O 3.37Å; R95-L163 WeakPolarHBondContact CG-O 3.44Å; R95-R164 HydrophobicContact CG-CG 3.54Å; R95-R164 VanDerWaalsContact NH2-NH2 3.1Å
96F94.6Very high93.7Very high12 Ų1265.9 Ų65.95%0.05332%0.315CS..  trans-82.249.8177.6-59-88.7000112.1F83 Q86 L87 L98 T99 S100 Y160 L163 K165F83-F96 AromaticContact CD2-CD1 3.74Å; F83-F96 HydrophobicContact CD2-CD1 3.74Å; F83-F96 HydrophobicContact CD2-CE1 4Å; F83-F96 HydrophobicContact CD2-CG 4.3Å; F83-F96 AromaticContact CE2-CD1 3.86Å; F83-F96 HydrophobicContact CE2-CD1 3.86Å; F83-F96 AromaticContact CE2-CE1 3.77Å; F83-F96 HydrophobicContact CE2-CE1 3.77Å; F83-F96 HydrophobicContact CE2-CG 4.29Å; F83-F96 HydrophobicContact CE2-CZ 4.13Å; Q86-F96 HydrophobicContact CB-CD1 3.66Å; Q86-F96 HydrophobicContact CB-CE1 3.94Å; L87-F96 HydrophobicContact CD2-CE1 3.89Å; L87-F96 HydrophobicContact CD2-CZ 3.86Å; L87-F96 HydrophobicContact CG-CE1 4.4Å; F96-L98 PolarHBondContact O-N 3.08Å; F96-T99 PolarHBondContact O-N 3.35Å; F96-S100 WeakPolarHBondContact O-CB 3.21Å; F96-S100 PolarHBondContact O-N 3.48Å; F96-Y160 HydrophobicContact CB-CD1 4.16Å; F96-L163 HydrophobicContact CD2-CB 4.15Å; F96-L163 HydrophobicContact CE2-CB 4.48Å; F96-K165 HydrophobicContact CZ-CB 4.39Å
97V95.4Very high94Very high69 Ų6964.9 Ų64.942%0.41831%0.311SS..Hα-helixtrans-62.4-44.6-170.7-178.60000112.3R95 S100 I101R95-V97 HydrophobicContact CB-CG2 3.76Å; R95-V97 PolarHBondContact O-N 3.41Å; V97-S100 WeakPolarHBondContact O-CB 3.5Å; V97-S100 PolarHBondContact O-N 2.89Å; V97-I101 HydrophobicContact CG1-CD1 3.94Å; V97-I101 HydrophobicContact CG1-CG1 4.44Å; V97-I101 WeakPolarHBondContact O-CG1 3.23Å; V97-I101 PolarHBondContact O-N 2.68Å
98L96.3Very high94.4Very high92 Ų9266.8 Ų66.848%0.48232%0.321SS..Hα-helixtrans-62.9-45.7179.1-176.163.1000111.9V82 F96 S100 I101 I102V82-L98 HydrophobicContact CG1-CB 4.25Å; V82-L98 HydrophobicContact CG1-CD2 3.75Å; V82-L98 HydrophobicContact CG1-CG 3.87Å; F96-L98 PolarHBondContact O-N 3.08Å; L98-S100 VanDerWaalsContact C-N 3.29Å; L98-S100 PolarHBondContact O-N 3.08Å; L98-I101 PolarHBondContact O-N 3.45Å; L98-I102 HydrophobicContact CD1-CD1 4.17Å; L98-I102 HydrophobicContact CG-CD1 4.07Å; L98-I102 WeakPolarHBondContact O-CG1 3.38Å; L98-I102 PolarHBondContact O-N 3.25Å; L98-I102 VanDerWaalsContact O-N 3.15Å
99T97.3Very high94.8Very high0 Ų059.5 Ų59.50%029%0.29CS..Hα-helixtrans-55.6-46.6173.1-60.60000110.9F83 Q86 F96 I101 I102 Q103 Y160F83-T99 VanDerWaalsContact CA-OG1 3.27Å; F83-T99 WeakPolarHBondContact CA-OG1 3.34Å; F83-T99 HydrophobicContact CB-CG2 3.69Å; F83-T99 HydrophobicContact CD2-CG2 4.35Å; F83-T99 HydrophobicContact CG-CG2 4.37Å; F83-T99 PolarHBondContact N-OG1 3.04Å; Q86-T99 PolarHBondContact OE1-OG1 2.68Å; F96-T99 PolarHBondContact O-N 3.35Å; T99-I101 PolarHBondContact O-N 2.93Å; T99-I102 PolarHBondContact O-N 2.96Å; T99-Q103 WeakPolarHBondContact O-CB 3.48Å; T99-Q103 PolarHBondContact O-N 3.37Å; T99-Y160 HydrophobicContact CG2-CD1 3.83Å; T99-Y160 HydrophobicContact CG2-CD2 3.51Å; T99-Y160 HydrophobicContact CG2-CE1 3.94Å; T99-Y160 HydrophobicContact CG2-CE2 3.61Å; T99-Y160 HydrophobicContact CG2-CG 3.63Å
100S96.9Very high95.2Very high0 Ų049 Ų490%025%0.25CS..Hα-helixtrans-58.3-48.5178.9175.60000112.4F96 V97 L98 I102 Q103 L104 G157 L161F96-S100 WeakPolarHBondContact O-CB 3.21Å; F96-S100 PolarHBondContact O-N 3.48Å; V97-S100 WeakPolarHBondContact O-CB 3.5Å; V97-S100 PolarHBondContact O-N 2.89Å; L98-S100 VanDerWaalsContact C-N 3.29Å; L98-S100 PolarHBondContact O-N 3.08Å; S100-I102 PolarHBondContact O-N 3.2Å; S100-Q103 PolarHBondContact O-N 3.2Å; S100-L104 WeakPolarHBondContact O-CB 3.39Å; S100-L104 VanDerWaalsContact O-CG 3.28Å; S100-L104 WeakPolarHBondContact O-CG 3.34Å; S100-L104 PolarHBondContact O-N 3.34Å; S100-G157 WeakPolarHBondContact CB-O 3.06Å; S100-G157 PolarHBondContact OG-O 2.87Å; S100-L161 WeakPolarHBondContact OG-CB 3.32Å
101I98.4Very high95.6Very high89 Ų8951.1 Ų51.146%0.45626%0.261SS..Hα-helixtrans-59.4-48179.9-69166.8000110.7V97 L98 T99 Q103 L104 L105V97-I101 HydrophobicContact CG1-CD1 3.94Å; V97-I101 HydrophobicContact CG1-CG1 4.44Å; V97-I101 WeakPolarHBondContact O-CG1 3.23Å; V97-I101 PolarHBondContact O-N 2.68Å; L98-I101 PolarHBondContact O-N 3.45Å; T99-I101 PolarHBondContact O-N 2.93Å; I101-Q103 VanDerWaalsContact C-N 3.33Å; I101-Q103 PolarHBondContact O-N 3.26Å; I101-L104 PolarHBondContact O-N 2.98Å; I101-L105 HydrophobicContact CG2-CD1 4.45Å; I101-L105 WeakPolarHBondContact O-CG 3.31Å; I101-L105 PolarHBondContact O-N 3.46Å
102I98.5Very high96.1Very high23 Ų2347.1 Ų47.112%0.11825%0.246CC..Hα-helixtrans-66.2-38.8-178.6-58.8168.1000110.7F75 V78 A79 V82 L98 T99 S100 L105 S106F75-I102 HydrophobicContact CB-CG2 4.14Å; F75-I102 HydrophobicContact CD1-CG2 4.15Å; F75-I102 HydrophobicContact CG-CG2 4.48Å; F75-I102 WeakPolarHBondContact O-CG2 3.31Å; V78-I102 HydrophobicContact CB-CG2 4.29Å; V78-I102 HydrophobicContact CG1-CD1 4.19Å; V78-I102 HydrophobicContact CG1-CG2 4.19Å; A79-I102 HydrophobicContact CB-CB 4.07Å; A79-I102 HydrophobicContact CB-CG2 3.88Å; V82-I102 HydrophobicContact CB-CD1 4.42Å; V82-I102 HydrophobicContact CG1-CD1 4.47Å; V82-I102 HydrophobicContact CG2-CD1 3.92Å; L98-I102 HydrophobicContact CD1-CD1 4.17Å; L98-I102 HydrophobicContact CG-CD1 4.07Å; L98-I102 WeakPolarHBondContact O-CG1 3.38Å; L98-I102 PolarHBondContact O-N 3.25Å; L98-I102 VanDerWaalsContact O-N 3.15Å; T99-I102 PolarHBondContact O-N 2.96Å; S100-I102 PolarHBondContact O-N 3.2Å; I102-L105 WeakPolarHBondContact O-CB 3.5Å; I102-L105 PolarHBondContact O-N 2.92Å; I102-S106 PolarHBondContact O-N 2.98Å
103Q98.1Very high96.6Very high0 Ų042 Ų420%022%0.222CC..Hα-helixtrans-66.3-36.7175.9-170.165.73.100112.4H12 A79 T99 S100 I101 S106 C107 Y160H12-Q103 VanDerWaalsContact CE1-CD 3.46Å; H12-Q103 PolarHBondContact CE1-OE1 3.46Å; A79-Q103 HydrophobicContact CB-CB 4.1Å; T99-Q103 WeakPolarHBondContact O-CB 3.48Å; T99-Q103 PolarHBondContact O-N 3.37Å; S100-Q103 PolarHBondContact O-N 3.2Å; I101-Q103 VanDerWaalsContact C-N 3.33Å; I101-Q103 PolarHBondContact O-N 3.26Å; Q103-S106 WeakPolarHBondContact O-CB 3.43Å; Q103-S106 PolarHBondContact O-N 2.91Å; Q103-C107 PolarHBondContact O-N 3.48Å; Q103-Y160 HydrophobicContact CB-CD2 4.43Å; Q103-Y160 HydrophobicContact CG-CD2 4.48Å
104L98.4Very high97.3Very high58 Ų5840 Ų4030%0.30420%0.201SC..Hα-helixtrans-70.1-31174.2-70.5172.1000112.3S100 I101 C107 L108 L154S100-L104 WeakPolarHBondContact O-CB 3.39Å; S100-L104 VanDerWaalsContact O-CG 3.28Å; S100-L104 WeakPolarHBondContact O-CG 3.34Å; S100-L104 PolarHBondContact O-N 3.34Å; I101-L104 PolarHBondContact O-N 2.98Å; L104-C107 WeakPolarHBondContact O-CB 3.47Å; L104-C107 PolarHBondContact O-N 2.91Å; L104-L108 WeakPolarHBondContact O-CB 3.44Å; L104-L108 PolarHBondContact O-N 2.99Å; L104-L154 HydrophobicContact CD2-CD1 3.99Å
105L98.7Very high97.6Very high72 Ų7238.2 Ų38.238%0.37720%0.199SC..Hα-helixtrans-65.3-41.7169.6-70.7173.1000111.4F75 I101 I102 L108 C109F75-L105 HydrophobicContact CD2-CB 3.84Å; F75-L105 HydrophobicContact CE2-CB 4.01Å; F75-L105 HydrophobicContact CG-CB 4.32Å; F75-L105 HydrophobicContact CZ-CD1 4.49Å; I101-L105 HydrophobicContact CG2-CD1 4.45Å; I101-L105 WeakPolarHBondContact O-CG 3.31Å; I101-L105 PolarHBondContact O-N 3.46Å; I102-L105 WeakPolarHBondContact O-CB 3.5Å; I102-L105 PolarHBondContact O-N 2.92Å; L105-L108 PolarHBondContact O-N 3.44Å; L105-C109 PolarHBondContact O-N 3.05Å; L105-C109 PolarHBondContact O-SG 3.41Å
106S98.7Very high97.9Very high0 Ų035.6 Ų35.60%019%0.192CC..Hα-helixtrans-56.6-50.5171.1179.20000110.9S72 I102 Q103 L108 C109 V110S72-S106 WeakPolarHBondContact O-CB 3.44Å; S72-S106 PolarHBondContact O-OG 3.31Å; I102-S106 PolarHBondContact O-N 2.98Å; Q103-S106 WeakPolarHBondContact O-CB 3.43Å; Q103-S106 PolarHBondContact O-N 2.91Å; S106-L108 VanDerWaalsContact C-N 3.33Å; S106-L108 PolarHBondContact O-N 3.39Å; S106-C109 WeakPolarHBondContact O-CB 3.4Å; S106-C109 PolarHBondContact O-N 3.3Å; S106-C109 VanDerWaalsContact O-N 3.16Å; S106-V110 WeakPolarHBondContact O-CG2 3.35Å; S106-V110 PolarHBondContact O-N 2.81Å; S106-V110 VanDerWaalsContact O-N 3.14Å
107C98.7Very high98.1Very high5 Ų535 Ų353%0.03419%0.19CC..Hα-helixtrans-54.7-45.3176.4175.20000113Q103 L104 V110 M111 F150 T153Q103-C107 PolarHBondContact O-N 3.48Å; L104-C107 WeakPolarHBondContact O-CB 3.47Å; L104-C107 PolarHBondContact O-N 2.91Å; C107-V110 PolarHBondContact O-N 3.27Å; C107-M111 WeakPolarHBondContact O-CB 3.49Å; C107-M111 PolarHBondContact O-N 2.88Å; C107-M111 VanDerWaalsContact O-N 3.1Å; C107-F150 WeakPolarHBondContact SG-CD2 3.34Å; C107-F150 VanDerWaalsContact SG-CE2 3.51Å; C107-T153 VanDerWaalsContact CA-OG1 3.31Å; C107-T153 WeakPolarHBondContact CA-OG1 3.32Å; C107-T153 WeakPolarHBondContact CB-OG1 3.36Å
108L98.8Very high98.1Very high80 Ų8034.2 Ų34.242%0.41919%0.185SC..Hα-helixtrans-61.6-44.3178.417860.8000111.3L104 L105 S106 V110 M111 I112L104-L108 WeakPolarHBondContact O-CB 3.44Å; L104-L108 PolarHBondContact O-N 2.99Å; L105-L108 PolarHBondContact O-N 3.44Å; S106-L108 VanDerWaalsContact C-N 3.33Å; S106-L108 PolarHBondContact O-N 3.39Å; L108-V110 PolarHBondContact O-N 3.14Å; L108-M111 HydrophobicContact CD1-CE 3.64Å; L108-M111 PolarHBondContact O-N 2.92Å; L108-I112 HydrophobicContact CD1-CD1 3.92Å; L108-I112 HydrophobicContact CD1-CG1 4.23Å; L108-I112 HydrophobicContact CG-CD1 3.86Å; L108-I112 VanDerWaalsContact O-CG1 3.28Å; L108-I112 WeakPolarHBondContact O-CG1 3.16Å; L108-I112 PolarHBondContact O-N 3.16Å
109C98.8Very high98.1Very high13 Ų1335.8 Ų35.89%0.08819%0.194CC..Hα-helixtrans-60.7-44.3178.6-69.70000112.6T68 L105 S106 I112 A113T68-C109 WeakPolarHBondContact O-CB 3.15Å; L105-C109 PolarHBondContact O-N 3.05Å; L105-C109 PolarHBondContact O-SG 3.41Å; S106-C109 WeakPolarHBondContact O-CB 3.4Å; S106-C109 PolarHBondContact O-N 3.3Å; S106-C109 VanDerWaalsContact O-N 3.16Å; C109-I112 PolarHBondContact O-N 3.37Å; C109-A113 WeakPolarHBondContact O-CB 3.42Å; C109-A113 PolarHBondContact O-N 3.23Å
110V98.7Very high97.9Very high0 Ų038.9 Ų38.90%021%0.205CC..Hα-helixtrans-63.9-44177.9-174.70000111.4L19 S72 S106 C107 L108 I112 A113 A114 A146 F150L19-V110 HydrophobicContact CD2-CG1 4.43Å; L19-V110 HydrophobicContact CD2-CG2 3.28Å; S72-V110 VanDerWaalsContact CB-CG2 3.44Å; S106-V110 WeakPolarHBondContact O-CG2 3.35Å; S106-V110 PolarHBondContact O-N 2.81Å; S106-V110 VanDerWaalsContact O-N 3.14Å; C107-V110 PolarHBondContact O-N 3.27Å; L108-V110 PolarHBondContact O-N 3.14Å; V110-I112 VanDerWaalsContact C-N 3.32Å; V110-I112 PolarHBondContact O-N 2.47Å; V110-A113 WeakPolarHBondContact O-CB 3.32Å; V110-A113 PolarHBondContact O-N 3.45Å; V110-A114 WeakPolarHBondContact O-CB 3.4Å; V110-A114 PolarHBondContact O-N 3.14Å; V110-A146 HydrophobicContact CG1-CB 4.28Å; V110-A146 WeakPolarHBondContact CG1-O 3.43Å; V110-F150 HydrophobicContact CB-CB 4.39Å; V110-F150 HydrophobicContact CG1-CB 3.99Å
111M98.6Very high97.6Very high66 Ų6641.1 Ų41.133%0.32522%0.216SC..Hα-helixtrans-60.9-43178.9-178.9174.248.300111.2C107 L108 S115 F150C107-M111 WeakPolarHBondContact O-CB 3.49Å; C107-M111 PolarHBondContact O-N 2.88Å; C107-M111 VanDerWaalsContact O-N 3.1Å; L108-M111 HydrophobicContact CD1-CE 3.64Å; L108-M111 PolarHBondContact O-N 2.92Å; M111-S115 WeakPolarHBondContact O-CB 2.91Å; M111-S115 PolarHBondContact O-N 3.09Å; M111-S115 PolarHBondContact O-OG 2.7Å; M111-F150 HydrophobicContact CB-CD2 3.73Å; M111-F150 HydrophobicContact CB-CE2 3.87Å; M111-F150 HydrophobicContact CE-CE2 4.43Å; M111-F150 HydrophobicContact CG-CD2 4.32Å; M111-F150 HydrophobicContact CG-CE2 4.06Å; M111-F150 HydrophobicContact SD-CD2 4.49Å; M111-F150 HydrophobicContact SD-CE2 3.68Å; M111-F150 HydrophobicContact SD-CZ 4.03Å
112I98.7Very high97.1Very high67 Ų6741.9 Ų41.934%0.34422%0.218SC..Hα-helixtrans-61.8-49.1175.7-68.8166.4000110.2T68 L108 C109 V110 A114 S115 I116T68-I112 HydrophobicContact CG2-CG2 4.14Å; L108-I112 HydrophobicContact CD1-CD1 3.92Å; L108-I112 HydrophobicContact CD1-CG1 4.23Å; L108-I112 HydrophobicContact CG-CD1 3.86Å; L108-I112 VanDerWaalsContact O-CG1 3.28Å; L108-I112 WeakPolarHBondContact O-CG1 3.16Å; L108-I112 PolarHBondContact O-N 3.16Å; C109-I112 PolarHBondContact O-N 3.37Å; V110-I112 VanDerWaalsContact C-N 3.32Å; V110-I112 PolarHBondContact O-N 2.47Å; I112-A114 PolarHBondContact O-N 2.8Å; I112-S115 PolarHBondContact O-N 2.61Å; I112-I116 HydrophobicContact CG2-CD1 3.63Å; I112-I116 HydrophobicContact CG2-CG1 4.31Å; I112-I116 VanDerWaalsContact O-CG1 3.31Å; I112-I116 WeakPolarHBondContact O-CG1 3.31Å; I112-I116 PolarHBondContact O-N 3.3Å
113A98.5Very high96.6Very high0 Ų045.3 Ų45.30%023%0.233CC..Hα-helixtrans-56.2-53.6179.400000111.9V65 T68 M69 C109 V110 S115 I116 Y117V65-A113 HydrophobicContact CG1-CB 4.34Å; T68-A113 VanDerWaalsContact OG1-CB 3.23Å; T68-A113 WeakPolarHBondContact OG1-CB 3Å; M69-A113 HydrophobicContact CG-CB 3.75Å; M69-A113 HydrophobicContact SD-CB 3.5Å; M69-A113 VanDerWaalsContact SD-CB 3.5Å; C109-A113 WeakPolarHBondContact O-CB 3.42Å; C109-A113 PolarHBondContact O-N 3.23Å; V110-A113 WeakPolarHBondContact O-CB 3.32Å; V110-A113 PolarHBondContact O-N 3.45Å; A113-S115 VanDerWaalsContact C-N 3.32Å; A113-S115 PolarHBondContact O-N 3.34Å; A113-I116 PolarHBondContact O-N 3.28Å; A113-Y117 WeakPolarHBondContact O-CB 3.31Å; A113-Y117 PolarHBondContact O-N 3.38Å
114A98.3Very high96.1Very high0 Ų046.9 Ų46.90%024%0.241CC..Hα-helixtrans-65.2-35.9-178.300000112V110 I112 T118 F143 W147V110-A114 WeakPolarHBondContact O-CB 3.4Å; V110-A114 PolarHBondContact O-N 3.14Å; I112-A114 PolarHBondContact O-N 2.8Å; A114-T118 WeakPolarHBondContact O-CB 3.19Å; A114-T118 PolarHBondContact O-N 3.06Å; A114-T118 PolarHBondContact O-OG1 3.37Å; A114-F143 HydrophobicContact CB-CE2 4.46Å; A114-W147 HydrophobicContact CB-CD2 4.07Å; A114-W147 HydrophobicContact CB-CH2 4.18Å; A114-W147 HydrophobicContact CB-CZ2 3.66Å
115S98.4Very high95.6Very high53 Ų5344.6 Ų44.637%0.37123%0.229SC..Hα-helixtrans-70.1-45.7178.4-57.20000112.3M111 I112 A113 Y117 T118 D119M111-S115 WeakPolarHBondContact O-CB 2.91Å; M111-S115 PolarHBondContact O-N 3.09Å; M111-S115 PolarHBondContact O-OG 2.7Å; I112-S115 PolarHBondContact O-N 2.61Å; A113-S115 VanDerWaalsContact C-N 3.32Å; A113-S115 PolarHBondContact O-N 3.34Å; S115-Y117 VanDerWaalsContact C-N 3.3Å; S115-Y117 PolarHBondContact O-N 3.03Å; S115-T118 PolarHBondContact O-N 3.24Å; S115-D119 WeakPolarHBondContact O-CB 3.41Å; S115-D119 PolarHBondContact O-N 2.94Å
116I98.1Very high94.7Very high48 Ų4847.7 Ų47.725%0.24624%0.239CC..Hα-helixtrans-57.8-48.8174.1-69.4170.7000109.2A64 V65 I112 A113 T118 D119 R120A64-I116 HydrophobicContact CB-CD1 4.09Å; V65-I116 HydrophobicContact CG2-CB 4.27Å; V65-I116 HydrophobicContact CG2-CG2 4.01Å; I112-I116 HydrophobicContact CG2-CD1 3.63Å; I112-I116 HydrophobicContact CG2-CG1 4.31Å; I112-I116 VanDerWaalsContact O-CG1 3.31Å; I112-I116 WeakPolarHBondContact O-CG1 3.31Å; I112-I116 PolarHBondContact O-N 3.3Å; A113-I116 PolarHBondContact O-N 3.28Å; I116-T118 VanDerWaalsContact C-N 3.31Å; I116-T118 PolarHBondContact O-N 2.86Å; I116-D119 PolarHBondContact O-N 3.12Å; I116-R120 HydrophobicContact CG2-CG 4.15Å; I116-R120 WeakPolarHBondContact O-CB 3.25Å; I116-R120 WeakPolarHBondContact O-CG 3.44Å; I116-R120 PolarHBondContact O-N 3.31Å
117Y97.1Very high93Very high1 Ų156 Ų560%0.00427%0.271CS..Hα-helixtrans-61.1-41.1-179.9-171.4-91.2000112.4W28 W29 D37 I62 A113 S115 R120 H121 L124 H125 Y139 F143W28-Y117 HydrophobicContact CB-CE1 4.13Å; W28-Y117 HydrophobicContact CB-CE2 4.25Å; W28-Y117 AromaticContact CE3-CD1 3.71Å; W28-Y117 HydrophobicContact CE3-CD1 3.71Å; W28-Y117 AromaticContact CE3-CD2 3.67Å; W28-Y117 HydrophobicContact CE3-CD2 3.67Å; W28-Y117 HydrophobicContact CE3-CE1 4.01Å; W28-Y117 AromaticContact CE3-CE2 4Å; W28-Y117 HydrophobicContact CE3-CE2 4Å; W28-Y117 AromaticContact CE3-CG 3.51Å; W28-Y117 HydrophobicContact CE3-CG 3.51Å; W28-Y117 HydrophobicContact CZ3-CD1 4.22Å; W28-Y117 HydrophobicContact CZ3-CD2 4.13Å; W28-Y117 AromaticContact CZ3-CG 3.77Å; W28-Y117 HydrophobicContact CZ3-CG 3.77Å; W29-Y117 WeakPolarHBondContact CB-OH 3.49Å; D37-Y117 HydrophobicContact CB-CE2 4.04Å; D37-Y117 WeakPolarHBondContact OD1-CE2 3.33Å; D37-Y117 PolarHBondContact OD1-OH 2.67Å; D37-Y117 PolarHBondContact OD2-OH 3.04Å; D37-Y117 VanDerWaalsContact OD2-OH 3.11Å; I62-Y117 HydrophobicContact CD1-CD2 4.32Å; I62-Y117 HydrophobicContact CD1-CE2 4.23Å; A113-Y117 WeakPolarHBondContact O-CB 3.31Å; A113-Y117 PolarHBondContact O-N 3.38Å; S115-Y117 VanDerWaalsContact C-N 3.3Å; S115-Y117 PolarHBondContact O-N 3.03Å; Y117-R120 PolarHBondContact O-N 2.6Å; Y117-H121 WeakPolarHBondContact O-CB 3.36Å; Y117-H121 PolarHBondContact O-N 2.89Å; Y117-L124 HydrophobicContact CD2-CD1 3.98Å; Y117-L124 HydrophobicContact CE2-CD1 3.96Å; Y117-H125 PolarHBondContact OH-CE1 3.38Å; Y117-H125 VanDerWaalsContact OH-CE1 3.31Å; Y117-Y139 AromaticContact CD1-CE1 3.99Å; Y117-Y139 HydrophobicContact CD1-CE1 3.99Å; Y117-Y139 AromaticContact CE1-CD1 3.98Å; Y117-Y139 HydrophobicContact CE1-CD1 3.98Å; Y117-Y139 AromaticContact CE1-CE1 3.73Å; Y117-Y139 HydrophobicContact CE1-CE1 3.73Å; Y117-F143 AromaticContact CD1-CD2 3.53Å; Y117-F143 HydrophobicContact CD1-CD2 3.53Å; Y117-F143 AromaticContact CD1-CE2 3.58Å; Y117-F143 HydrophobicContact CD1-CE2 3.58Å; Y117-F143 HydrophobicContact CD1-CG 4.5Å; Y117-F143 AromaticContact CE1-CD2 3.97Å; Y117-F143 HydrophobicContact CE1-CD2 3.97Å; Y117-F143 HydrophobicContact CE1-CE2 4.33Å; Y117-F143 HydrophobicContact CG-CD2 4.41Å; Y117-F143 HydrophobicContact CG-CE2 4.45Å
118T96.3Very high91.2Very high51 Ų5160 Ų6031%0.31329%0.292SS..Hα-helixtrans-62.4-44.6176.8-54.50000111.7A114 S115 I116 H121 F143A114-T118 WeakPolarHBondContact O-CB 3.19Å; A114-T118 PolarHBondContact O-N 3.06Å; A114-T118 PolarHBondContact O-OG1 3.37Å; S115-T118 PolarHBondContact O-N 3.24Å; I116-T118 VanDerWaalsContact C-N 3.31Å; I116-T118 PolarHBondContact O-N 2.86Å; T118-H121 PolarHBondContact O-ND1 2.96Å; T118-F143 VanDerWaalsContact OG1-CZ 3.31Å; T118-F143 WeakPolarHBondContact OG1-CZ 3.5Å
119D96.5Very high89.4Confident126 Ų12659.5 Ų59.567%0.67429%0.287SS*.Hα-helixtrans-65.5-41.4179.1-178.271.3000112S115 I116S115-D119 WeakPolarHBondContact O-CB 3.41Å; S115-D119 PolarHBondContact O-N 2.94Å; I116-D119 PolarHBondContact O-N 3.12Å
120R93.7Very high87.4Confident64 Ų6461.9 Ų61.924%0.24230%0.295CS..Hα-helixtrans-94.2-5-170.3-53.7-62.7-83.51621.2114.6D58 S61 I116 Y117 E122 E123 L124D58-R120 VanDerWaalsContact CG-NH2 3.33Å; D58-R120 IonicContact OD1-CZ 3.05Å; D58-R120 IonicContact OD1-NE 3.67Å; D58-R120 PolarHBondContact OD1-NE 3.5Å; D58-R120 IonicContact OD1-NH2 3.1Å; D58-R120 PolarHBondContact OD1-NH2 3.32Å; D58-R120 WeakPolarHBondContact OD2-CB 3.37Å; D58-R120 IonicContact OD2-CZ 3.88Å; D58-R120 IonicContact OD2-NE 3.93Å; D58-R120 PolarHBondContact OD2-NE 3.16Å; D58-R120 IonicContact OD2-NH2 2.71Å; D58-R120 PolarHBondContact OD2-NH2 3.35Å; S61-R120 PolarHBondContact OG-NE 3.11Å; I116-R120 HydrophobicContact CG2-CG 4.15Å; I116-R120 WeakPolarHBondContact O-CB 3.25Å; I116-R120 WeakPolarHBondContact O-CG 3.44Å; I116-R120 PolarHBondContact O-N 3.31Å; Y117-R120 PolarHBondContact O-N 2.6Å; R120-E122 VanDerWaalsContact C-N 3.28Å; R120-E122 PolarHBondContact O-N 3.05Å; R120-E122 VanDerWaalsContact O-N 3.13Å; R120-E123 IonicContact CZ-OE1 2.79Å; R120-E123 IonicContact CZ-OE2 2.88Å; R120-E123 IonicContact NE-OE2 3.49Å; R120-E123 IonicContact NH1-OE1 3.5Å; R120-E123 PolarHBondContact NH1-OE1 3Å; R120-E123 IonicContact NH1-OE2 3.56Å; R120-E123 PolarHBondContact NH1-OE2 3.12Å; R120-E123 VanDerWaalsContact NH1-OE2 3.1Å; R120-E123 IonicContact NH2-OE1 3.06Å; R120-E123 IonicContact NH2-OE2 3.6Å; R120-E123 PolarHBondContact NH2-OE2 2.67Å; R120-E123 PolarHBondContact O-N 3.23Å; R120-L124 HydrophobicContact CB-CD1 4.21Å; R120-L124 HydrophobicContact CB-CG 4.36Å; R120-L124 WeakPolarHBondContact O-CG 3.3Å; R120-L124 PolarHBondContact O-N 3.33Å
121H89.4Confident85.8Confident47 Ų4769.3 Ų69.322%0.21834%0.335CS..Hα-helixtrans-50.7-43.9-173.478.3-74.8000113.3Y117 T118 E123 L124 H125 Y139Y117-H121 WeakPolarHBondContact O-CB 3.36Å; Y117-H121 PolarHBondContact O-N 2.89Å; T118-H121 PolarHBondContact O-ND1 2.96Å; H121-E123 PolarHBondContact O-N 2.98Å; H121-L124 PolarHBondContact O-N 3.48Å; H121-H125 PolarHBondContact O-N 3.23Å; H121-H125 PolarHBondContact O-ND1 3.39Å; H121-Y139 HydrophobicContact CB-CE1 4.44Å; H121-Y139 PolarHBondContact ND1-OH 3.13Å
122E88.9Confident84.5Confident106 Ų10668.2 Ų68.250%0.49533%0.33SS..Hα-helixtrans-60.9-43.3178.8-65.9-167.7-179.100112.4R120 L124 H125 K126R120-E122 VanDerWaalsContact C-N 3.28Å; R120-E122 PolarHBondContact O-N 3.05Å; R120-E122 VanDerWaalsContact O-N 3.13Å; E122-L124 VanDerWaalsContact C-N 3.33Å; E122-H125 PolarHBondContact O-N 3.46Å; E122-K126 HydrophobicContact CB-CD 4.32Å; E122-K126 WeakPolarHBondContact O-CB 3.23Å; E122-K126 VanDerWaalsContact O-CD 3.3Å; E122-K126 WeakPolarHBondContact O-CD 3.03Å; E122-K126 WeakPolarHBondContact O-CG 3.3Å; E122-K126 PolarHBondContact O-N 3.45Å; E122-K126 WeakPolarHBondContact OE2-CE 3.4Å; E122-K126 IonicContact OE2-NZ 3.9Å; E122-K126 PolarHBondContact OE2-NZ 3.45Å
123E88.1Confident83.6Confident94 Ų9470.5 Ų70.544%0.43934%0.339SS..Hα-helixtrans-67.3-37.1179.2-69.2-172.9-160.600111.6D58 R120 H121 H125D58-E123 HydrophobicContact CB-CB 4.49Å; R120-E123 IonicContact CZ-OE1 2.79Å; R120-E123 IonicContact CZ-OE2 2.88Å; R120-E123 IonicContact NE-OE2 3.49Å; R120-E123 IonicContact NH1-OE1 3.5Å; R120-E123 PolarHBondContact NH1-OE1 3Å; R120-E123 IonicContact NH1-OE2 3.56Å; R120-E123 PolarHBondContact NH1-OE2 3.12Å; R120-E123 VanDerWaalsContact NH1-OE2 3.1Å; R120-E123 IonicContact NH2-OE1 3.06Å; R120-E123 IonicContact NH2-OE2 3.6Å; R120-E123 PolarHBondContact NH2-OE2 2.67Å; R120-E123 PolarHBondContact O-N 3.23Å; H121-E123 PolarHBondContact O-N 2.98Å; E123-H125 VanDerWaalsContact C-N 3.29Å; E123-H125 PolarHBondContact O-N 2.86Å
124L87.3Confident83Confident33 Ų3371.1 Ų71.117%0.17334%0.343CS..Hα-helixtrans-65.2-30.9177.3-65.7171.9000113.1D58 I62 Y117 R120 H121 E122D58-L124 HydrophobicContact CB-CD2 4Å; I62-L124 HydrophobicContact CD1-CD1 3.72Å; I62-L124 HydrophobicContact CD1-CD2 3.83Å; I62-L124 HydrophobicContact CD1-CG 4.4Å; I62-L124 HydrophobicContact CG1-CD1 4.29Å; I62-L124 HydrophobicContact CG1-CD2 3.45Å; I62-L124 VanDerWaalsContact CG1-CD2 3.45Å; Y117-L124 HydrophobicContact CD2-CD1 3.98Å; Y117-L124 HydrophobicContact CE2-CD1 3.96Å; R120-L124 HydrophobicContact CB-CD1 4.21Å; R120-L124 HydrophobicContact CB-CG 4.36Å; R120-L124 WeakPolarHBondContact O-CG 3.3Å; R120-L124 PolarHBondContact O-N 3.33Å; H121-L124 PolarHBondContact O-N 3.48Å; E122-L124 VanDerWaalsContact C-N 3.33Å
125H88.4Confident82.4Confident10 Ų1073.4 Ų73.45%0.04636%0.358CS..Hα-helixtrans-111.91.2-173.4-51.6127.1000114.2W29 D37 Y117 H121 E122 E123 R127 V134 S135W29-H125 AromaticContact CD1-CD2 3.52Å; W29-H125 AromaticContact CD1-CE1 3.71Å; W29-H125 AromaticContact CD1-CG 3.77Å; W29-H125 AromaticContact CD1-ND1 3.88Å; W29-H125 AromaticContact CD1-NE2 3.49Å; W29-H125 AromaticContact CD2-CE1 3.34Å; W29-H125 AromaticContact CD2-ND1 3.52Å; W29-H125 AromaticContact CD2-NE2 3.89Å; W29-H125 AromaticContact CE2-CE1 3.74Å; W29-H125 AromaticContact CE2-CG 3.81Å; W29-H125 AromaticContact CE2-ND1 3.41Å; W29-H125 AromaticContact CE3-CE1 3.69Å; W29-H125 AromaticContact CE3-ND1 3.94Å; W29-H125 AromaticContact CG-CD2 3.94Å; W29-H125 AromaticContact CG-CE1 3.38Å; W29-H125 AromaticContact CG-ND1 3.86Å; W29-H125 AromaticContact CG-NE2 3.42Å; W29-H125 AromaticContact CZ2-ND1 3.8Å; W29-H125 AromaticContact NE1-CD2 3.8Å; W29-H125 AromaticContact NE1-CE1 3.94Å; W29-H125 AromaticContact NE1-CG 3.55Å; W29-H125 AromaticContact NE1-ND1 3.65Å; D37-H125 IonicContact OD1-CE1 3.12Å; D37-H125 IonicContact OD1-NE2 2.68Å; D37-H125 PolarHBondContact OD1-NE2 3.11Å; D37-H125 VanDerWaalsContact OD1-NE2 3.12Å; Y117-H125 PolarHBondContact OH-CE1 3.38Å; Y117-H125 VanDerWaalsContact OH-CE1 3.31Å; H121-H125 PolarHBondContact O-N 3.23Å; H121-H125 PolarHBondContact O-ND1 3.39Å; E122-H125 PolarHBondContact O-N 3.46Å; E123-H125 VanDerWaalsContact C-N 3.29Å; E123-H125 PolarHBondContact O-N 2.86Å; H125-R127 VanDerWaalsContact C-N 3.34Å; H125-R127 PolarHBondContact O-N 2.95Å; H125-V134 HydrophobicContact CB-CG2 4.22Å; H125-S135 WeakPolarHBondContact O-CA 3.49Å; H125-S135 WeakPolarHBondContact O-CB 3.43Å; H125-S135 PolarHBondContact O-N 2.88Å
126K78.4Confident81.8Confident137 Ų13778.1 Ų78.160%0.59638%0.375SS*.SBendtrans-74.4-4.5-175.8-100.9167.4-172.91630116.1E122E122-K126 HydrophobicContact CB-CD 4.32Å; E122-K126 WeakPolarHBondContact O-CB 3.23Å; E122-K126 VanDerWaalsContact O-CD 3.3Å; E122-K126 WeakPolarHBondContact O-CD 3.03Å; E122-K126 WeakPolarHBondContact O-CG 3.3Å; E122-K126 PolarHBondContact O-N 3.45Å; E122-K126 WeakPolarHBondContact OE2-CE 3.4Å; E122-K126 IonicContact OE2-NZ 3.9Å; E122-K126 PolarHBondContact OE2-NZ 3.45Å
127R63.3Low81.5Confident175 Ų17576.6 Ų76.666%0.6637%0.37SS*.SBendtrans-141.2141.2-172.7-146.5174.4-172.9170.20.5115.4N57 H125 E129N57-R127 WeakPolarHBondContact ND2-CD 3.11Å; H125-R127 VanDerWaalsContact C-N 3.34Å; H125-R127 PolarHBondContact O-N 2.95Å; R127-E129 PolarHBondContact O-N 2.85Å
128N60.5Low81.4Confident89 Ų8982.9 Ų82.948%0.47640%0.4SS..  trans-73.953.8175.3-80.7-13.5000113.1Y130 N131 I132 E133N128-Y130 PolarHBondContact O-N 3Å; N128-Y130 VanDerWaalsContact O-N 3.15Å; N128-N131 PolarHBondContact O-N 3.4Å; N128-I132 PolarHBondContact OD1-O 3.46Å; N128-E133 WeakPolarHBondContact OD1-CA 3.44Å; N128-E133 PolarHBondContact OD1-N 2.71Å
129E60.5Low81.5Confident69 Ų6984 Ų8432%0.32240%0.399SS..THydrogen-bonded Turntrans-63.8-19.7178.4-78.5176169.100112.9F56 N57 R127F56-E129 VanDerWaalsContact CA-OE2 3.24Å; F56-E129 WeakPolarHBondContact CA-OE2 3.37Å; F56-E129 VanDerWaalsContact CD1-OE2 3.32Å; F56-E129 WeakPolarHBondContact CD1-OE2 3.37Å; N57-E129 PolarHBondContact N-OE1 3.4Å; N57-E129 VanDerWaalsContact N-OE1 3.11Å; N57-E129 PolarHBondContact N-OE2 2.92Å; N57-E129 PolarHBondContact ND2-OE1 3.45Å; R127-E129 PolarHBondContact O-N 2.85Å
130Y58.1Low81.5Confident63 Ų6378.2 Ų78.225%0.24737%0.369CS..THydrogen-bonded Turntrans-118.919.1-178.9-75-92.2000114.5I41 T50 F56 N128 I132I41-Y130 HydrophobicContact CD1-CD2 3.72Å; I41-Y130 HydrophobicContact CD1-CE2 4.27Å; I41-Y130 HydrophobicContact CD1-CG 4.15Å; T50-Y130 HydrophobicContact CG2-CD1 4.18Å; T50-Y130 HydrophobicContact CG2-CE1 3.98Å; T50-Y130 WeakPolarHBondContact OG1-CE1 3.16Å; F56-Y130 AromaticContact CD1-CE2 3.96Å; F56-Y130 HydrophobicContact CD1-CE2 3.96Å; F56-Y130 HydrophobicContact CD2-CE2 4.15Å; F56-Y130 AromaticContact CE1-CD2 3.57Å; F56-Y130 HydrophobicContact CE1-CD2 3.57Å; F56-Y130 AromaticContact CE1-CE2 3.1Å; F56-Y130 HydrophobicContact CE1-CE2 3.1Å; F56-Y130 AromaticContact CE1-CZ 3.98Å; F56-Y130 AromaticContact CE2-CE2 3.37Å; F56-Y130 HydrophobicContact CE2-CE2 3.37Å; F56-Y130 AromaticContact CE2-CZ 3.42Å; F56-Y130 VanDerWaalsContact CE2-CZ 3.42Å; F56-Y130 WeakPolarHBondContact CE2-OH 3.39Å; F56-Y130 HydrophobicContact CG-CE2 4.45Å; F56-Y130 AromaticContact CZ-CD2 3.63Å; F56-Y130 HydrophobicContact CZ-CD2 3.63Å; F56-Y130 HydrophobicContact CZ-CE1 4.29Å; F56-Y130 AromaticContact CZ-CE2 2.82Å; F56-Y130 HydrophobicContact CZ-CE2 2.82Å; F56-Y130 AromaticContact CZ-CZ 3.2Å; F56-Y130 VanDerWaalsContact CZ-OH 3.25Å; F56-Y130 WeakPolarHBondContact CZ-OH 3.23Å; N128-Y130 PolarHBondContact O-N 3Å; N128-Y130 VanDerWaalsContact O-N 3.15Å; Y130-I132 WeakPolarHBondContact O-CG1 3.38Å; Y130-I132 PolarHBondContact O-N 2.9Å; Y130-I132 VanDerWaalsContact O-N 3.1Å
131N64.1Low81.7Confident157 Ų15780.7 Ų80.784%0.8438%0.379SS*.SBendtrans55.720.7-171.4-57.6-48.2000113.8N128N128-N131 PolarHBondContact O-N 3.4Å
132I72.4Confident82.2Confident42 Ų4278.4 Ų78.422%0.21537%0.368CS..SBendtrans-122.8122.9178-60.2149.8000106.7F34 V43 N128 Y130 V134F34-I132 HydrophobicContact CB-CG2 4.29Å; F34-I132 HydrophobicContact CD1-CG2 4.19Å; F34-I132 HydrophobicContact CG-CG2 4.42Å; V43-I132 HydrophobicContact CG2-CD1 3.28Å; V43-I132 HydrophobicContact CG2-CG1 4.29Å; N128-I132 PolarHBondContact OD1-O 3.46Å; Y130-I132 WeakPolarHBondContact O-CG1 3.38Å; Y130-I132 PolarHBondContact O-N 2.9Å; Y130-I132 VanDerWaalsContact O-N 3.1Å; I132-V134 HydrophobicContact CG2-CG1 4.02Å; I132-V134 PolarHBondContact O-N 3.1Å; I132-V134 VanDerWaalsContact O-N 3.07Å
133E79.4Confident82.6Confident116 Ų11674 Ų7454%0.54235%0.347SS..  trans-76.895.1176.8-171.8170.7-174.800109.5N128 S135N128-E133 WeakPolarHBondContact OD1-CA 3.44Å; N128-E133 PolarHBondContact OD1-N 2.71Å; E133-S135 VanDerWaalsContact CG-OG 3.23Å; E133-S135 WeakPolarHBondContact CG-OG 3.5Å; E133-S135 PolarHBondContact OE1-OG 2.79Å
134V85.7Confident83.1Confident13 Ų1373.8 Ų73.88%0.07935%0.349CS..  trans-87.9-7.3177.4-620000113.3W29 F34 H125 I132 Q136 G137W29-V134 PolarHBondContact NE1-O 2.9Å; F34-V134 HydrophobicContact CD1-CG1 4.16Å; F34-V134 HydrophobicContact CD2-CB 4.35Å; F34-V134 HydrophobicContact CD2-CG1 3.81Å; F34-V134 HydrophobicContact CE1-CB 4.21Å; F34-V134 HydrophobicContact CE1-CG1 4.17Å; F34-V134 HydrophobicContact CE2-CB 3.87Å; F34-V134 HydrophobicContact CE2-CG1 3.86Å; F34-V134 HydrophobicContact CG-CG1 3.99Å; F34-V134 VanDerWaalsContact CZ-CA 3.47Å; F34-V134 HydrophobicContact CZ-CB 3.79Å; F34-V134 HydrophobicContact CZ-CG1 4.03Å; F34-V134 WeakPolarHBondContact CZ-O 3.26Å; H125-V134 HydrophobicContact CB-CG2 4.22Å; I132-V134 HydrophobicContact CG2-CG1 4.02Å; I132-V134 PolarHBondContact O-N 3.1Å; I132-V134 VanDerWaalsContact O-N 3.07Å; V134-Q136 PolarHBondContact O-N 3.29Å; V134-G137 PolarHBondContact O-N 3.06Å; V134-G137 VanDerWaalsContact O-N 3.14Å
135S85.4Confident83.6Confident47 Ų4773.8 Ų73.833%0.32935%0.349SS..THydrogen-bonded Turntrans-61.8-28.3-176.562.40000113.7H125 E133 G137H125-S135 WeakPolarHBondContact O-CA 3.49Å; H125-S135 WeakPolarHBondContact O-CB 3.43Å; H125-S135 PolarHBondContact O-N 2.88Å; E133-S135 VanDerWaalsContact CG-OG 3.23Å; E133-S135 WeakPolarHBondContact CG-OG 3.5Å; E133-S135 PolarHBondContact OE1-OG 2.79Å; S135-G137 VanDerWaalsContact C-N 3.27Å; S135-G137 PolarHBondContact O-N 3.49Å
136Q86.5Confident84.1Confident153 Ų15373.3 Ų73.372%0.71535%0.346SS*.THydrogen-bonded Turntrans-86.37.5-179.7-57.5-55.8-50.100113.6V134V134-Q136 PolarHBondContact O-N 3.29Å
137G91.8Very high85.1Confident15 Ų1570.9 Ų70.916%0.15533%0.333CS..  trans-73.1-176.1177.800000113.3W29 V30 V134 S135W29-G137 WeakPolarHBondContact CH2-O 3.36Å; W29-G137 WeakPolarHBondContact CZ2-O 3.25Å; W29-G137 VanDerWaalsContact NE1-CA 3.32Å; V30-G137 CarbonylContact O-C 3.55Å; V30-G137 WeakPolarHBondContact O-CA 3.31Å; V134-G137 PolarHBondContact O-N 3.06Å; V134-G137 VanDerWaalsContact O-N 3.14Å; S135-G137 VanDerWaalsContact C-N 3.27Å; S135-G137 PolarHBondContact O-N 3.49Å
138Q95.3Very high86.8Confident133 Ų13365.8 Ų65.862%0.62132%0.318SS*.EExtended strand (participates in β ladder)trans-145.5163.5176.961.6-173.2-37.700109.9W29 V30 G140W29-Q138 WeakPolarHBondContact CA-O 3.38Å; V30-Q138 HydrophobicContact CG2-CG 4.1Å; V30-Q138 PolarHBondContact N-O 2.73Å; V30-Q138 PolarHBondContact O-N 3.5Å; Q138-G140 PolarHBondContact O-N 2.72Å; Q138-G140 VanDerWaalsContact O-N 3.12Å
139Y97.2Very high88.6Confident76 Ų7661.5 Ų61.530%0.29830%0.296SS..EExtended strand (participates in β ladder)trans-55.3120.7175-68.7-64.5000111.3W28 W29 Y117 H121 F143W28-Y139 CarbonylContact O-C 3.25Å; W28-Y139 WeakPolarHBondContact O-CA 3.34Å; W29-Y139 HydrophobicContact CE3-CD1 4.08Å; W29-Y139 HydrophobicContact CE3-CE1 4.42Å; W29-Y139 HydrophobicContact CE3-CG 4.43Å; W29-Y139 HydrophobicContact CZ3-CD1 4.06Å; W29-Y139 HydrophobicContact CZ3-CD2 4.41Å; W29-Y139 HydrophobicContact CZ3-CE1 4.17Å; W29-Y139 HydrophobicContact CZ3-CG 4.18Å; Y117-Y139 AromaticContact CD1-CE1 3.99Å; Y117-Y139 HydrophobicContact CD1-CE1 3.99Å; Y117-Y139 AromaticContact CE1-CD1 3.98Å; Y117-Y139 HydrophobicContact CE1-CD1 3.98Å; Y117-Y139 AromaticContact CE1-CE1 3.73Å; Y117-Y139 HydrophobicContact CE1-CE1 3.73Å; H121-Y139 HydrophobicContact CB-CE1 4.44Å; H121-Y139 PolarHBondContact ND1-OH 3.13Å; Y139-F143 HydrophobicContact CD1-CB 4.38Å; Y139-F143 AromaticContact CD1-CD1 3.37Å; Y139-F143 HydrophobicContact CD1-CD1 3.37Å; Y139-F143 HydrophobicContact CD1-CD2 4.11Å; Y139-F143 AromaticContact CD1-CE1 3.45Å; Y139-F143 HydrophobicContact CD1-CE1 3.45Å; Y139-F143 VanDerWaalsContact CD1-CE1 3.45Å; Y139-F143 HydrophobicContact CD1-CE2 4.2Å; Y139-F143 AromaticContact CD1-CG 3.69Å; Y139-F143 HydrophobicContact CD1-CG 3.69Å; Y139-F143 AromaticContact CD1-CZ 3.86Å; Y139-F143 HydrophobicContact CD1-CZ 3.86Å; Y139-F143 HydrophobicContact CD2-CD1 4.48Å; Y139-F143 HydrophobicContact CD2-CE1 4.16Å; Y139-F143 HydrophobicContact CE1-CD1 4.09Å; Y139-F143 HydrophobicContact CE1-CD2 4.33Å; Y139-F143 AromaticContact CE1-CE1 3.74Å; Y139-F143 HydrophobicContact CE1-CE1 3.74Å; Y139-F143 HydrophobicContact CE1-CE2 4.02Å; Y139-F143 HydrophobicContact CE1-CG 4.34Å; Y139-F143 AromaticContact CE1-CZ 3.68Å; Y139-F143 HydrophobicContact CE1-CZ 3.68Å; Y139-F143 HydrophobicContact CE2-CE1 4.38Å; Y139-F143 AromaticContact CG-CD1 3.62Å; Y139-F143 HydrophobicContact CG-CD1 3.62Å; Y139-F143 AromaticContact CG-CE1 3.69Å; Y139-F143 HydrophobicContact CG-CE1 3.69Å; Y139-F143 HydrophobicContact CG-CG 4.34Å; Y139-F143 HydrophobicContact CG-CZ 4.47Å
140G97.6Very high90.4Very high3 Ų360.3 Ų60.33%0.03129%0.289CS..  trans-84.1174177.200000112.6A27 W28 Q138 S142 F143 I144A27-G140 CarbonylContact O-C 3.58Å; A27-G140 WeakPolarHBondContact O-CA 3.15Å; W28-G140 PolarHBondContact O-N 2.93Å; Q138-G140 PolarHBondContact O-N 2.72Å; Q138-G140 VanDerWaalsContact O-N 3.12Å; G140-S142 VanDerWaalsContact C-N 3.3Å; G140-S142 PolarHBondContact O-N 3.11Å; G140-F143 PolarHBondContact O-N 3.44Å; G140-I144 PolarHBondContact O-N 2.91Å
141Y97.9Very high92.3Very high116 Ų11659.1 Ų59.146%0.45529%0.293SS..Hα-helixtrans-64.8-33.7-172.578.8-87.6000112.5I21 D25 A27 F143 I144 L145I21-Y141 HydrophobicContact CG2-CE2 3.81Å; D25-Y141 VanDerWaalsContact CG-OH 3.26Å; D25-Y141 VanDerWaalsContact OD2-CE1 3.31Å; D25-Y141 WeakPolarHBondContact OD2-CE1 3.43Å; D25-Y141 PolarHBondContact OD2-OH 3.27Å; A27-Y141 HydrophobicContact CB-CD1 3.73Å; A27-Y141 HydrophobicContact CB-CE1 3.39Å; A27-Y141 PolarHBondContact O-N 2.98Å; Y141-F143 VanDerWaalsContact C-N 3.28Å; Y141-F143 PolarHBondContact O-N 2.58Å; Y141-I144 WeakPolarHBondContact O-CB 3.39Å; Y141-I144 PolarHBondContact O-N 2.76Å; Y141-I144 VanDerWaalsContact O-N 3.11Å; Y141-L145 HydrophobicContact CD2-CD1 3.77Å; Y141-L145 HydrophobicContact CD2-CG 4.19Å; Y141-L145 HydrophobicContact CE2-CD1 4.01Å; Y141-L145 VanDerWaalsContact O-CG 3.3Å; Y141-L145 WeakPolarHBondContact O-CG 3.23Å; Y141-L145 PolarHBondContact O-N 3.08Å
142S98.3Very high93.9Very high0 Ų054.3 Ų54.30%026%0.264CS..Hα-helixtrans-62.4-36.3179.9-66.40000112.3S22 D25 A27 G140 L145 A146S22-S142 VanDerWaalsContact CB-O 3.22Å; S22-S142 WeakPolarHBondContact CB-O 3.19Å; D25-S142 PolarHBondContact O-OG 3.48Å; A27-S142 WeakPolarHBondContact O-CB 3.18Å; A27-S142 PolarHBondContact O-N 3.21Å; A27-S142 VanDerWaalsContact O-N 3.09Å; G140-S142 VanDerWaalsContact C-N 3.3Å; G140-S142 PolarHBondContact O-N 3.11Å; S142-L145 PolarHBondContact O-N 2.98Å; S142-A146 PolarHBondContact O-N 3.06Å
143F98.4Very high95.1Very high13 Ų1352.3 Ų52.36%0.05725%0.254CS..Hα-helixtrans-66.2-42.9173.4173.9-99.4000111.7W28 A114 Y117 T118 Y139 G140 Y141 L145 A146 W147W28-F143 HydrophobicContact CB-CB 4.03Å; W28-F143 HydrophobicContact CD2-CB 4.19Å; W28-F143 HydrophobicContact CD2-CD2 4.44Å; W28-F143 HydrophobicContact CE3-CB 4.28Å; W28-F143 AromaticContact CE3-CD2 3.71Å; W28-F143 HydrophobicContact CE3-CD2 3.71Å; W28-F143 HydrophobicContact CE3-CG 4.49Å; W28-F143 HydrophobicContact CG-CB 4.14Å; W28-F143 AromaticContact CZ3-CD2 3.98Å; W28-F143 HydrophobicContact CZ3-CD2 3.98Å; A114-F143 HydrophobicContact CB-CE2 4.46Å; Y117-F143 AromaticContact CD1-CD2 3.53Å; Y117-F143 HydrophobicContact CD1-CD2 3.53Å; Y117-F143 AromaticContact CD1-CE2 3.58Å; Y117-F143 HydrophobicContact CD1-CE2 3.58Å; Y117-F143 HydrophobicContact CD1-CG 4.5Å; Y117-F143 AromaticContact CE1-CD2 3.97Å; Y117-F143 HydrophobicContact CE1-CD2 3.97Å; Y117-F143 HydrophobicContact CE1-CE2 4.33Å; Y117-F143 HydrophobicContact CG-CD2 4.41Å; Y117-F143 HydrophobicContact CG-CE2 4.45Å; T118-F143 VanDerWaalsContact OG1-CZ 3.31Å; T118-F143 WeakPolarHBondContact OG1-CZ 3.5Å; Y139-F143 HydrophobicContact CD1-CB 4.38Å; Y139-F143 AromaticContact CD1-CD1 3.37Å; Y139-F143 HydrophobicContact CD1-CD1 3.37Å; Y139-F143 HydrophobicContact CD1-CD2 4.11Å; Y139-F143 AromaticContact CD1-CE1 3.45Å; Y139-F143 HydrophobicContact CD1-CE1 3.45Å; Y139-F143 VanDerWaalsContact CD1-CE1 3.45Å; Y139-F143 HydrophobicContact CD1-CE2 4.2Å; Y139-F143 AromaticContact CD1-CG 3.69Å; Y139-F143 HydrophobicContact CD1-CG 3.69Å; Y139-F143 AromaticContact CD1-CZ 3.86Å; Y139-F143 HydrophobicContact CD1-CZ 3.86Å; Y139-F143 HydrophobicContact CD2-CD1 4.48Å; Y139-F143 HydrophobicContact CD2-CE1 4.16Å; Y139-F143 HydrophobicContact CE1-CD1 4.09Å; Y139-F143 HydrophobicContact CE1-CD2 4.33Å; Y139-F143 AromaticContact CE1-CE1 3.74Å; Y139-F143 HydrophobicContact CE1-CE1 3.74Å; Y139-F143 HydrophobicContact CE1-CE2 4.02Å; Y139-F143 HydrophobicContact CE1-CG 4.34Å; Y139-F143 AromaticContact CE1-CZ 3.68Å; Y139-F143 HydrophobicContact CE1-CZ 3.68Å; Y139-F143 HydrophobicContact CE2-CE1 4.38Å; Y139-F143 AromaticContact CG-CD1 3.62Å; Y139-F143 HydrophobicContact CG-CD1 3.62Å; Y139-F143 AromaticContact CG-CE1 3.69Å; Y139-F143 HydrophobicContact CG-CE1 3.69Å; Y139-F143 HydrophobicContact CG-CG 4.34Å; Y139-F143 HydrophobicContact CG-CZ 4.47Å; G140-F143 PolarHBondContact O-N 3.44Å; Y141-F143 VanDerWaalsContact C-N 3.28Å; Y141-F143 PolarHBondContact O-N 2.58Å; F143-L145 VanDerWaalsContact C-N 3.33Å; F143-L145 PolarHBondContact O-N 3.11Å; F143-A146 WeakPolarHBondContact O-CB 3.49Å; F143-A146 PolarHBondContact O-N 3.22Å; F143-A146 VanDerWaalsContact O-N 3.17Å; F143-W147 AromaticContact CE1-CD1 3.67Å; F143-W147 AromaticContact CE1-NE1 3.61Å; F143-W147 AromaticContact CE2-NE1 3.68Å; F143-W147 AromaticContact CZ-CD1 3.68Å; F143-W147 AromaticContact CZ-NE1 3.15Å; F143-W147 PolarHBondContact O-N 2.87Å
144I98.4Very high96Very high90 Ų9050 Ų5046%0.46225%0.245SC..Hα-helixtrans-62.4-43.1175.8-59.7172.6000110.3G140 Y141 A146 W147 I148G140-I144 PolarHBondContact O-N 2.91Å; Y141-I144 WeakPolarHBondContact O-CB 3.39Å; Y141-I144 PolarHBondContact O-N 2.76Å; Y141-I144 VanDerWaalsContact O-N 3.11Å; I144-A146 VanDerWaalsContact C-N 3.25Å; I144-A146 PolarHBondContact O-N 3.07Å; I144-W147 PolarHBondContact O-N 2.86Å; I144-I148 HydrophobicContact CG2-CD1 4.02Å; I144-I148 WeakPolarHBondContact O-CG1 2.97Å; I144-I148 PolarHBondContact O-N 3.01Å
145L98.6Very high96.6Very high33 Ų3353.8 Ų53.817%0.17326%0.264CS..Hα-helixtrans-62.2-32.3176.6-65.4-172.4000112L18 I21 Y141 S142 F143 I148 A149L18-L145 HydrophobicContact CD2-CB 4.49Å; L18-L145 HydrophobicContact CD2-CD1 4.47Å; L18-L145 HydrophobicContact CD2-CD2 3.83Å; L18-L145 HydrophobicContact CD2-CG 4.46Å; I21-L145 HydrophobicContact CB-CD1 4.03Å; I21-L145 HydrophobicContact CG2-CD1 3.48Å; I21-L145 VanDerWaalsContact CG2-CD1 3.48Å; Y141-L145 HydrophobicContact CD2-CD1 3.77Å; Y141-L145 HydrophobicContact CD2-CG 4.19Å; Y141-L145 HydrophobicContact CE2-CD1 4.01Å; Y141-L145 VanDerWaalsContact O-CG 3.3Å; Y141-L145 WeakPolarHBondContact O-CG 3.23Å; Y141-L145 PolarHBondContact O-N 3.08Å; S142-L145 PolarHBondContact O-N 2.98Å; F143-L145 VanDerWaalsContact C-N 3.33Å; F143-L145 PolarHBondContact O-N 3.11Å; L145-I148 HydrophobicContact CD2-CD1 4.3Å; L145-I148 PolarHBondContact O-N 3.42Å; L145-A149 VanDerWaalsContact O-CB 3.24Å; L145-A149 WeakPolarHBondContact O-CB 3.38Å; L145-A149 PolarHBondContact O-N 2.93Å
146A98.6Very high97Very high0 Ų051.6 Ų51.60%025%0.248CC..Hα-helixtrans-62.9-44.7173.500000111.7W28 M69 V110 S142 F143 I144 I148 A149 F150W28-A146 HydrophobicContact CH2-CB 4.1Å; W28-A146 HydrophobicContact CZ2-CB 4.05Å; M69-A146 HydrophobicContact CE-CB 4.4Å; V110-A146 HydrophobicContact CG1-CB 4.28Å; V110-A146 WeakPolarHBondContact CG1-O 3.43Å; S142-A146 PolarHBondContact O-N 3.06Å; F143-A146 WeakPolarHBondContact O-CB 3.49Å; F143-A146 PolarHBondContact O-N 3.22Å; F143-A146 VanDerWaalsContact O-N 3.17Å; I144-A146 VanDerWaalsContact C-N 3.25Å; I144-A146 PolarHBondContact O-N 3.07Å; A146-I148 PolarHBondContact O-N 3.41Å; A146-A149 WeakPolarHBondContact O-CB 3.2Å; A146-A149 PolarHBondContact O-N 3.07Å; A146-F150 PolarHBondContact O-N 2.99Å
147W98.7Very high97.4Very high86 Ų8644.3 Ų44.333%0.32621%0.214SC..Hα-helixtrans-65.7-36.9175.3-79.9114.2000113.3A114 F143 I144 F150 A151A114-W147 HydrophobicContact CB-CD2 4.07Å; A114-W147 HydrophobicContact CB-CH2 4.18Å; A114-W147 HydrophobicContact CB-CZ2 3.66Å; F143-W147 AromaticContact CE1-CD1 3.67Å; F143-W147 AromaticContact CE1-NE1 3.61Å; F143-W147 AromaticContact CE2-NE1 3.68Å; F143-W147 AromaticContact CZ-CD1 3.68Å; F143-W147 AromaticContact CZ-NE1 3.15Å; F143-W147 PolarHBondContact O-N 2.87Å; I144-W147 PolarHBondContact O-N 2.86Å; W147-F150 HydrophobicContact CE3-CB 4.41Å; W147-F150 AromaticContact CE3-CD1 3.83Å; W147-F150 HydrophobicContact CE3-CD1 3.83Å; W147-F150 HydrophobicContact CE3-CE1 4.49Å; W147-F150 HydrophobicContact CE3-CG 4.28Å; W147-F150 HydrophobicContact CZ3-CD1 4.04Å; W147-F150 HydrophobicContact CZ3-CE1 4.36Å; W147-F150 HydrophobicContact CZ3-CG 4.44Å; W147-F150 WeakPolarHBondContact O-CB 3.36Å; W147-F150 PolarHBondContact O-N 2.71Å; W147-A151 PolarHBondContact O-N 3.31Å; W147-A151 VanDerWaalsContact O-N 3.13Å
148I98.6Very high97.6Very high67 Ų6747.1 Ų47.134%0.34423%0.228SC..Hα-helixtrans-65.9-42.6173.3-62.3171.2000110.1L18 I144 L145 A146 F150 A151 F152L18-I148 HydrophobicContact CD1-CG2 3.81Å; I144-I148 HydrophobicContact CG2-CD1 4.02Å; I144-I148 WeakPolarHBondContact O-CG1 2.97Å; I144-I148 PolarHBondContact O-N 3.01Å; L145-I148 HydrophobicContact CD2-CD1 4.3Å; L145-I148 PolarHBondContact O-N 3.42Å; A146-I148 PolarHBondContact O-N 3.41Å; I148-F150 VanDerWaalsContact C-N 3.31Å; I148-F150 PolarHBondContact O-N 2.68Å; I148-A151 PolarHBondContact O-N 2.71Å; I148-F152 HydrophobicContact CG2-CD2 4.22Å; I148-F152 HydrophobicContact CG2-CE2 4.05Å; I148-F152 HydrophobicContact CG2-CZ 4.31Å; I148-F152 WeakPolarHBondContact O-CD2 3.42Å; I148-F152 PolarHBondContact O-N 2.98Å
149A98.4Very high97.6Very high0 Ų042.3 Ų42.30%021%0.207CC..Hα-helixtrans-62.4-37.9175.800000111.9L18 L19 L145 A146 F152 T153L18-A149 HydrophobicContact CB-CB 3.89Å; L19-A149 HydrophobicContact CD2-CB 3.6Å; L19-A149 HydrophobicContact CG-CB 4.01Å; L145-A149 VanDerWaalsContact O-CB 3.24Å; L145-A149 WeakPolarHBondContact O-CB 3.38Å; L145-A149 PolarHBondContact O-N 2.93Å; A146-A149 WeakPolarHBondContact O-CB 3.2Å; A146-A149 PolarHBondContact O-N 3.07Å; A149-F152 PolarHBondContact O-N 3.39Å; A149-T153 WeakPolarHBondContact O-CB 3.48Å; A149-T153 VanDerWaalsContact O-CG2 3.23Å; A149-T153 WeakPolarHBondContact O-CG2 3.33Å; A149-T153 PolarHBondContact O-N 3.38Å; A149-T153 PolarHBondContact O-OG1 2.92Å
150F98.5Very high97.4Very high43 Ų4338.7 Ų38.719%0.18919%0.192CC..Hα-helixtrans-56.7-52.2170.7158.4-104.5000111.4C107 V110 M111 A146 W147 I148 F152 T153 L154C107-F150 WeakPolarHBondContact SG-CD2 3.34Å; C107-F150 VanDerWaalsContact SG-CE2 3.51Å; V110-F150 HydrophobicContact CB-CB 4.39Å; V110-F150 HydrophobicContact CG1-CB 3.99Å; M111-F150 HydrophobicContact CB-CD2 3.73Å; M111-F150 HydrophobicContact CB-CE2 3.87Å; M111-F150 HydrophobicContact CE-CE2 4.43Å; M111-F150 HydrophobicContact CG-CD2 4.32Å; M111-F150 HydrophobicContact CG-CE2 4.06Å; M111-F150 HydrophobicContact SD-CD2 4.49Å; M111-F150 HydrophobicContact SD-CE2 3.68Å; M111-F150 HydrophobicContact SD-CZ 4.03Å; A146-F150 PolarHBondContact O-N 2.99Å; W147-F150 HydrophobicContact CE3-CB 4.41Å; W147-F150 AromaticContact CE3-CD1 3.83Å; W147-F150 HydrophobicContact CE3-CD1 3.83Å; W147-F150 HydrophobicContact CE3-CE1 4.49Å; W147-F150 HydrophobicContact CE3-CG 4.28Å; W147-F150 HydrophobicContact CZ3-CD1 4.04Å; W147-F150 HydrophobicContact CZ3-CE1 4.36Å; W147-F150 HydrophobicContact CZ3-CG 4.44Å; W147-F150 WeakPolarHBondContact O-CB 3.36Å; W147-F150 PolarHBondContact O-N 2.71Å; I148-F150 VanDerWaalsContact C-N 3.31Å; I148-F150 PolarHBondContact O-N 2.68Å; F150-F152 VanDerWaalsContact C-N 3.3Å; F150-F152 PolarHBondContact O-N 3.35Å; F150-T153 WeakPolarHBondContact CA-OG1 3.47Å; F150-T153 PolarHBondContact O-N 3.09Å; F150-T153 PolarHBondContact O-OG1 3.43Å; F150-L154 HydrophobicContact CZ-CD2 4.15Å; F150-L154 WeakPolarHBondContact O-CB 3.3Å; F150-L154 PolarHBondContact O-N 2.75Å
151A98.4Very high97.1Very high38 Ų3842.2 Ų42.231%0.31421%0.21SC..Hα-helixtrans-60.1-42.1179.400000111.7W147 I148 L154 I155W147-A151 PolarHBondContact O-N 3.31Å; W147-A151 VanDerWaalsContact O-N 3.13Å; I148-A151 PolarHBondContact O-N 2.71Å; A151-L154 PolarHBondContact O-N 3.23Å; A151-I155 WeakPolarHBondContact O-CB 2.98Å; A151-I155 WeakPolarHBondContact O-CD1 3.05Å; A151-I155 VanDerWaalsContact O-CG1 3.24Å; A151-I155 WeakPolarHBondContact O-CG1 3.46Å; A151-I155 PolarHBondContact O-N 2.78Å
152F98Very high96.8Very high56 Ų5641.1 Ų41.125%0.24622%0.215CC..Hα-helixtrans-68.6-43.8-179.8-82.1-151.5000112.1F11 T14 S15 L18 I148 A149 F150 L154 I155 S156F11-F152 HydrophobicContact CE1-CB 4.28Å; F11-F152 HydrophobicContact CE1-CG 4.49Å; F11-F152 VanDerWaalsContact CE1-O 3.23Å; F11-F152 WeakPolarHBondContact CE1-O 3.46Å; F11-F152 HydrophobicContact CE2-CD1 4.02Å; F11-F152 HydrophobicContact CE2-CD2 4.24Å; F11-F152 HydrophobicContact CE2-CE1 4.12Å; F11-F152 HydrophobicContact CE2-CE2 4.33Å; F11-F152 HydrophobicContact CE2-CG 4.08Å; F11-F152 HydrophobicContact CE2-CZ 4.28Å; F11-F152 HydrophobicContact CZ-CB 4.04Å; F11-F152 HydrophobicContact CZ-CD1 4.17Å; F11-F152 HydrophobicContact CZ-CD2 4.01Å; F11-F152 AromaticContact CZ-CG 3.81Å; F11-F152 HydrophobicContact CZ-CG 3.81Å; T14-F152 HydrophobicContact CG2-CD1 4.14Å; T14-F152 HydrophobicContact CG2-CE1 3.74Å; S15-F152 WeakPolarHBondContact OG-CB 3.06Å; L18-F152 HydrophobicContact CD1-CD1 3.77Å; L18-F152 HydrophobicContact CD1-CE1 4.02Å; L18-F152 HydrophobicContact CD1-CG 4.37Å; I148-F152 HydrophobicContact CG2-CD2 4.22Å; I148-F152 HydrophobicContact CG2-CE2 4.05Å; I148-F152 HydrophobicContact CG2-CZ 4.31Å; I148-F152 WeakPolarHBondContact O-CD2 3.42Å; I148-F152 PolarHBondContact O-N 2.98Å; A149-F152 PolarHBondContact O-N 3.39Å; F150-F152 VanDerWaalsContact C-N 3.3Å; F150-F152 PolarHBondContact O-N 3.35Å; F152-L154 VanDerWaalsContact C-N 3.33Å; F152-L154 PolarHBondContact O-N 3.41Å; F152-I155 PolarHBondContact O-N 2.91Å; F152-S156 WeakPolarHBondContact O-CB 3.29Å; F152-S156 PolarHBondContact O-N 3.19Å
153T97.9Very high96.3Very high0 Ų042.7 Ų42.70%022%0.223CC..Hα-helixtrans-65.2-37.117752.50000111.7L19 C107 A149 F150 G157L19-T153 HydrophobicContact CD1-CG2 4.08Å; C107-T153 VanDerWaalsContact CA-OG1 3.31Å; C107-T153 WeakPolarHBondContact CA-OG1 3.32Å; C107-T153 WeakPolarHBondContact CB-OG1 3.36Å; A149-T153 WeakPolarHBondContact O-CB 3.48Å; A149-T153 VanDerWaalsContact O-CG2 3.23Å; A149-T153 WeakPolarHBondContact O-CG2 3.33Å; A149-T153 PolarHBondContact O-N 3.38Å; A149-T153 PolarHBondContact O-OG1 2.92Å; F150-T153 WeakPolarHBondContact CA-OG1 3.47Å; F150-T153 PolarHBondContact O-N 3.09Å; F150-T153 PolarHBondContact O-OG1 3.43Å; T153-G157 PolarHBondContact O-N 3Å
154L98.1Very high95.8Very high67 Ų6749 Ų4935%0.35125%0.246SC..Hα-helixtrans-62.9-53.3173.6-177.559.1000112L104 F150 A151 F152 S156 G157 V158L104-L154 HydrophobicContact CD2-CD1 3.99Å; F150-L154 HydrophobicContact CZ-CD2 4.15Å; F150-L154 WeakPolarHBondContact O-CB 3.3Å; F150-L154 PolarHBondContact O-N 2.75Å; A151-L154 PolarHBondContact O-N 3.23Å; F152-L154 VanDerWaalsContact C-N 3.33Å; F152-L154 PolarHBondContact O-N 3.41Å; L154-S156 VanDerWaalsContact C-N 3.27Å; L154-S156 PolarHBondContact O-N 3.1Å; L154-G157 PolarHBondContact O-N 2.93Å; L154-V158 HydrophobicContact CD1-CG2 4.36Å; L154-V158 WeakPolarHBondContact O-CG2 3.48Å; L154-V158 PolarHBondContact O-N 3.02Å
155I97.2Very high95Very high94 Ų9447.1 Ų47.148%0.48224%0.235SC..Hα-helixtrans-58.6-43.7179-69.3166.3000109.9F11 A151 F152 V158 M159F11-I155 HydrophobicContact CE1-CB 4.05Å; F11-I155 HydrophobicContact CE1-CG2 3.87Å; F11-I155 HydrophobicContact CZ-CB 4.04Å; F11-I155 HydrophobicContact CZ-CG2 3.84Å; A151-I155 WeakPolarHBondContact O-CB 2.98Å; A151-I155 WeakPolarHBondContact O-CD1 3.05Å; A151-I155 VanDerWaalsContact O-CG1 3.24Å; A151-I155 WeakPolarHBondContact O-CG1 3.46Å; A151-I155 PolarHBondContact O-N 2.78Å; F152-I155 PolarHBondContact O-N 2.91Å; I155-V158 PolarHBondContact O-N 2.05Å; I155-M159 WeakPolarHBondContact O-CB 3.47Å; I155-M159 PolarHBondContact O-N 3.37Å
156S94.6Very high94Very high0 Ų055 Ų550%026%0.263CS..Hα-helixtrans-62.3-47.5177.8-173.90000111.7F152 L154 V158 M159 Y160F152-S156 WeakPolarHBondContact O-CB 3.29Å; F152-S156 PolarHBondContact O-N 3.19Å; L154-S156 VanDerWaalsContact C-N 3.27Å; L154-S156 PolarHBondContact O-N 3.1Å; S156-V158 PolarHBondContact O-N 2.81Å; S156-M159 WeakPolarHBondContact O-CB 3.48Å; S156-M159 PolarHBondContact O-N 3.15Å; S156-Y160 WeakPolarHBondContact O-CD2 3.14Å; S156-Y160 PolarHBondContact O-N 2.67Å; S156-Y160 WeakPolarHBondContact OG-CE2 3.25Å
157G95.8Very high92.2Very high0 Ų065.3 Ų65.30%031%0.307CS..Hα-helixtrans-58.5-47.3177.600000112.6S100 T153 L154 Y160 L161S100-G157 WeakPolarHBondContact CB-O 3.06Å; S100-G157 PolarHBondContact OG-O 2.87Å; T153-G157 PolarHBondContact O-N 3Å; L154-G157 PolarHBondContact O-N 2.93Å; G157-Y160 PolarHBondContact O-N 3.11Å; G157-L161 PolarHBondContact O-N 3.47Å
158V96Very high91.9Very high74 Ų7464.3 Ų64.345%0.44831%0.306SS..Hα-helixtrans-65-42176.1174.30000111.2L154 I155 S156 Y160 L161 V162L154-V158 HydrophobicContact CD1-CG2 4.36Å; L154-V158 WeakPolarHBondContact O-CG2 3.48Å; L154-V158 PolarHBondContact O-N 3.02Å; I155-V158 PolarHBondContact O-N 2.05Å; S156-V158 PolarHBondContact O-N 2.81Å; V158-Y160 PolarHBondContact O-N 3.29Å; V158-L161 VanDerWaalsContact O-CB 3.3Å; V158-L161 WeakPolarHBondContact O-CB 3.4Å; V158-L161 PolarHBondContact O-N 3.47Å; V158-L161 VanDerWaalsContact O-N 3.1Å; V158-V162 WeakPolarHBondContact O-CG2 3.25Å; V158-V162 PolarHBondContact O-N 3.1Å; V158-V162 VanDerWaalsContact O-N 3.13Å
159M93.4Very high91.6Very high33 Ų3364.1 Ų64.116%0.16330%0.304CS..Hα-helixtrans-58.7-47177.4179-175.463.100111.2I8 I155 S156 L161 V162 L163I8-M159 HydrophobicContact CB-CE 3.99Å; I8-M159 HydrophobicContact CG1-CE 3.59Å; I8-M159 HydrophobicContact CG1-SD 3.69Å; I8-M159 HydrophobicContact CG2-CE 3.74Å; I155-M159 WeakPolarHBondContact O-CB 3.47Å; I155-M159 PolarHBondContact O-N 3.37Å; S156-M159 WeakPolarHBondContact O-CB 3.48Å; S156-M159 PolarHBondContact O-N 3.15Å; M159-L161 PolarHBondContact O-N 2.93Å; M159-V162 PolarHBondContact O-N 2.9Å; M159-L163 HydrophobicContact CG-CD1 3.58Å; M159-L163 HydrophobicContact CG-CG 4.05Å; M159-L163 WeakPolarHBondContact O-CB 3.19Å; M159-L163 WeakPolarHBondContact O-CG 3.3Å; M159-L163 PolarHBondContact O-N 3.18Å; M159-L163 HydrophobicContact SD-CD1 4.27Å
160Y93.3Very high91.2Very high0 Ų067.7 Ų67.70%032%0.321CS..Hα-helixtrans-60.7-30.3175.9-73.4-54000113.5I8 H12 F83 F96 T99 Q103 S156 G157 V158I8-Y160 HydrophobicContact CG2-CD1 4.48Å; I8-Y160 HydrophobicContact CG2-CE1 3.44Å; I8-Y160 VanDerWaalsContact CG2-CE1 3.44Å; I8-Y160 WeakPolarHBondContact CG2-OH 3.2Å; H12-Y160 AromaticContact ND1-CE2 3.54Å; H12-Y160 AromaticContact ND1-CZ 3.81Å; H12-Y160 PolarHBondContact ND1-OH 3.29Å; F83-Y160 HydrophobicContact CB-CE1 4.48Å; F83-Y160 HydrophobicContact CD1-CE1 4.27Å; F83-Y160 AromaticContact CD2-CD1 3.93Å; F83-Y160 HydrophobicContact CD2-CD1 3.93Å; F83-Y160 AromaticContact CD2-CE1 3.32Å; F83-Y160 HydrophobicContact CD2-CE1 3.32Å; F83-Y160 HydrophobicContact CE1-CE1 4.35Å; F83-Y160 HydrophobicContact CE2-CD1 4.08Å; F83-Y160 AromaticContact CE2-CE1 3.46Å; F83-Y160 HydrophobicContact CE2-CE1 3.46Å; F83-Y160 VanDerWaalsContact CE2-CE1 3.46Å; F83-Y160 AromaticContact CG-CE1 3.76Å; F83-Y160 HydrophobicContact CG-CE1 3.76Å; F83-Y160 AromaticContact CZ-CE1 3.97Å; F83-Y160 HydrophobicContact CZ-CE1 3.97Å; F96-Y160 HydrophobicContact CB-CD1 4.16Å; T99-Y160 HydrophobicContact CG2-CD1 3.83Å; T99-Y160 HydrophobicContact CG2-CD2 3.51Å; T99-Y160 HydrophobicContact CG2-CE1 3.94Å; T99-Y160 HydrophobicContact CG2-CE2 3.61Å; T99-Y160 HydrophobicContact CG2-CG 3.63Å; Q103-Y160 HydrophobicContact CB-CD2 4.43Å; Q103-Y160 HydrophobicContact CG-CD2 4.48Å; S156-Y160 WeakPolarHBondContact O-CD2 3.14Å; S156-Y160 PolarHBondContact O-N 2.67Å; S156-Y160 WeakPolarHBondContact OG-CE2 3.25Å; G157-Y160 PolarHBondContact O-N 3.11Å; V158-Y160 PolarHBondContact O-N 3.29Å
161L92.1Very high90.8Very high77 Ų7769.1 Ų69.140%0.40333%0.329SS..Hα-helixtrans-70.3-39176.9-164.3138.5000112.2R95 S100 G157 V158 M159R95-L161 VanDerWaalsContact CD-O 3.28Å; R95-L161 WeakPolarHBondContact CD-O 3.24Å; S100-L161 WeakPolarHBondContact OG-CB 3.32Å; G157-L161 PolarHBondContact O-N 3.47Å; V158-L161 VanDerWaalsContact O-CB 3.3Å; V158-L161 WeakPolarHBondContact O-CB 3.4Å; V158-L161 PolarHBondContact O-N 3.47Å; V158-L161 VanDerWaalsContact O-N 3.1Å; M159-L161 PolarHBondContact O-N 2.93Å
162V90.6Very high90.3Very high92 Ų9271.1 Ų71.156%0.55833%0.33SS*.Hα-helixtrans-81.4-37.9-176.6177.20000111.5V158 M159V158-V162 WeakPolarHBondContact O-CG2 3.25Å; V158-V162 PolarHBondContact O-N 3.1Å; V158-V162 VanDerWaalsContact O-N 3.13Å; M159-V162 PolarHBondContact O-N 2.9Å
163L89.1Confident89.8Confident33 Ų3372.1 Ų72.117%0.17334%0.336CS..  trans-62.9138.4-176.7-73.5173.1000112.6L4 I8 R95 F96 M159L4-L163 HydrophobicContact CD2-CD2 3.83Å; I8-L163 HydrophobicContact CD1-CD1 3.27Å; I8-L163 HydrophobicContact CG1-CD1 3.97Å; R95-L163 WeakPolarHBondContact CA-O 3.37Å; R95-L163 WeakPolarHBondContact CG-O 3.44Å; F96-L163 HydrophobicContact CD2-CB 4.15Å; F96-L163 HydrophobicContact CE2-CB 4.48Å; M159-L163 HydrophobicContact CG-CD1 3.58Å; M159-L163 HydrophobicContact CG-CG 4.05Å; M159-L163 WeakPolarHBondContact O-CB 3.19Å; M159-L163 WeakPolarHBondContact O-CG 3.3Å; M159-L163 PolarHBondContact O-N 3.18Å; M159-L163 HydrophobicContact SD-CD1 4.27Å
164R86.9Confident89.2Confident145 Ų14577.2 Ų77.255%0.54736%0.36SS..BIsolated β-bridgetrans-118.4140.8174-70.9-178.6180179.73.9110E94 R95 R166E94-R164 CarbonylContact O-C 3.54Å; E94-R164 VanDerWaalsContact O-CA 3.32Å; E94-R164 WeakPolarHBondContact O-CA 3.01Å; R95-R164 HydrophobicContact CG-CG 3.54Å; R95-R164 VanDerWaalsContact NH2-NH2 3.1Å; R164-R166 PolarHBondContact O-N 3.06Å; R164-R166 VanDerWaalsContact O-N 3.13Å
165K81.6Confident88.5Confident51 Ų5178 Ų7822%0.22236%0.36CS..  trans-62.9113.8172.2-177.1169.2175.1173.40109.1L87 L90 G93 E94 F96L87-K165 WeakPolarHBondContact O-CE 3.19Å; L87-K165 PolarHBondContact O-NZ 3.39Å; L90-K165 HydrophobicContact CB-CD 4.08Å; L90-K165 HydrophobicContact CD2-CB 3.87Å; L90-K165 HydrophobicContact CD2-CD 4.37Å; L90-K165 VanDerWaalsContact O-CD 3.26Å; L90-K165 WeakPolarHBondContact O-CD 3.44Å; L90-K165 WeakPolarHBondContact O-CE 3.42Å; L90-K165 PolarHBondContact O-NZ 3.15Å; G93-K165 WeakPolarHBondContact CA-O 3.37Å; G93-K165 PolarHBondContact N-O 3.01Å; E94-K165 PolarHBondContact O-N 2.77Å; F96-K165 HydrophobicContact CZ-CB 4.39Å
166R79Confident87.8Confident200 Ų20076.7 Ų76.776%0.75535%0.35SS*.  trans-87.6168.9174.7-66.2-169.3179.7-169.81.1110.2M1 R164M1-R166 HydrophobicContact SD-CB 4.18Å; R164-R166 PolarHBondContact O-N 3.06Å; R164-R166 VanDerWaalsContact O-N 3.13Å
167K60.8Low87.2Confident215 Ų21583.6 Ų83.694%0.93538%0.382SS*.  trans-600177.4-138.8152.4-156.6-1680110.1M1 Q92M1-K167 WeakPolarHBondContact CE-O 2.89Å; Q92-K167 VanDerWaalsContact CD-CA 3.47Å; Q92-K167 VanDerWaalsContact CD-CG 3.45Å; Q92-K167 VanDerWaalsContact NE2-N 3.17Å; Q92-K167 VanDerWaalsContact OE1-CE 3.32Å; Q92-K167 VanDerWaalsContact OE1-CG 3.25Å

Retrieved 167 of 167 residues in 75.7 ms (Link to these results)

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