A0A5K4F9Z3_SCHMA Loading...

G_PROTEIN_RECEP_F1_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F9Z3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 161 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
1M66.6Low86.5Confident82 Ų8262.8 Ų62.840%0.40433%0.33SS..  0-43.70-79.9-56.4121.800114L3 F4 Q5 I69M1-L3 VanDerWaalsContact C-N 3.26Å; M1-L3 PolarHBondContact O-N 3.49Å; M1-F4 WeakPolarHBondContact O-CB 3.38Å; M1-F4 PolarHBondContact O-N 3.22Å; M1-Q5 PolarHBondContact O-N 3.21Å; M1-Q5 VanDerWaalsContact O-N 3.11Å; M1-I69 WeakPolarHBondContact CE-O 3.29Å; M1-I69 HydrophobicContact CG-CD1 4.07Å; M1-I69 HydrophobicContact CG-CG1 3.69Å; M1-I69 HydrophobicContact SD-CG1 4.48Å
2C79.9Confident86.7Confident101 Ų10163.1 Ų63.168%0.68234%0.336SS*.Hα-helixtrans-52.4-41.1-179.4-610000114F4 Q5 L6C2-F4 VanDerWaalsContact C-N 3.29Å; C2-F4 PolarHBondContact O-N 3.32Å; C2-Q5 PolarHBondContact O-N 3.17Å; C2-L6 WeakPolarHBondContact O-CB 3.49Å; C2-L6 PolarHBondContact O-N 3.17Å
3L83.1Confident87.1Confident59 Ų5964.9 Ų64.931%0.30935%0.345SS..Hα-helixtrans-64.3-33.9179.7-158.1138000112.6M1 Y7 F29 M30 F101M1-L3 VanDerWaalsContact C-N 3.26Å; M1-L3 PolarHBondContact O-N 3.49Å; L3-Y7 WeakPolarHBondContact O-CB 3.41Å; L3-Y7 PolarHBondContact O-N 2.75Å; L3-F29 HydrophobicContact CD2-CE1 4.18Å; L3-M30 HydrophobicContact CD2-CE 3.97Å; L3-M30 HydrophobicContact CD2-SD 3.76Å; L3-F101 HydrophobicContact CD1-CE2 3.85Å; L3-F101 HydrophobicContact CD1-CZ 4.22Å
4F86.2Confident87.4Confident7 Ų761.9 Ų61.93%0.03133%0.328CS..Hα-helixtrans-72.4-40.7174.7-177.7-123.3000112.6M1 C2 L6 Y7 M8 M30 I34 M76 I77M1-F4 WeakPolarHBondContact O-CB 3.38Å; M1-F4 PolarHBondContact O-N 3.22Å; C2-F4 VanDerWaalsContact C-N 3.29Å; C2-F4 PolarHBondContact O-N 3.32Å; F4-L6 VanDerWaalsContact C-N 3.32Å; F4-L6 PolarHBondContact O-N 3.26Å; F4-Y7 AromaticContact CD2-CD1 3.83Å; F4-Y7 HydrophobicContact CD2-CD1 3.83Å; F4-Y7 AromaticContact CE2-CD1 3.71Å; F4-Y7 HydrophobicContact CE2-CD1 3.71Å; F4-Y7 HydrophobicContact CE2-CE1 4.06Å; F4-Y7 WeakPolarHBondContact O-CB 3.44Å; F4-Y7 PolarHBondContact O-N 2.95Å; F4-M8 HydrophobicContact CD2-CG 4.43Å; F4-M8 HydrophobicContact CE1-CG 4.12Å; F4-M8 HydrophobicContact CE1-SD 4.48Å; F4-M8 HydrophobicContact CE2-CG 4Å; F4-M8 HydrophobicContact CE2-SD 3.8Å; F4-M8 HydrophobicContact CZ-CG 3.81Å; F4-M8 HydrophobicContact CZ-SD 3.65Å; F4-M8 WeakPolarHBondContact O-CG 3.44Å; F4-M8 PolarHBondContact O-N 3.4Å; F4-M30 HydrophobicContact CB-CE 3.56Å; F4-M30 HydrophobicContact CB-SD 4.41Å; F4-M30 HydrophobicContact CD2-CE 3.74Å; F4-M30 HydrophobicContact CD2-CG 3.76Å; F4-M30 HydrophobicContact CD2-SD 4.03Å; F4-M30 HydrophobicContact CE2-CG 4.26Å; F4-M30 HydrophobicContact CG-CE 4.09Å; F4-I34 HydrophobicContact CD2-CD1 3.45Å; F4-I34 VanDerWaalsContact CD2-CD1 3.45Å; F4-I34 HydrophobicContact CE2-CD1 3.58Å; F4-I34 HydrophobicContact CG-CD1 4.05Å; F4-I34 HydrophobicContact CZ-CD1 4.3Å; F4-M76 HydrophobicContact CE1-CB 3.65Å; F4-M76 HydrophobicContact CE1-CE 3.52Å; F4-M76 HydrophobicContact CE1-CG 4.2Å; F4-M76 HydrophobicContact CE1-SD 3.61Å; F4-M76 HydrophobicContact CZ-CB 3.4Å; F4-M76 VanDerWaalsContact CZ-CB 3.4Å; F4-M76 HydrophobicContact CZ-CE 3.88Å; F4-M76 HydrophobicContact CZ-CG 4.4Å; F4-M76 HydrophobicContact CZ-SD 4.28Å; F4-I77 HydrophobicContact CE2-CD1 4.29Å
5Q87.1Confident87.4Confident118 Ų11858.2 Ų58.255%0.55131%0.309SS*.Hα-helixtrans-61.8-43.7175-68.7170.5-30.100110.9M1 C2 Y7 M8 I9M1-Q5 PolarHBondContact O-N 3.21Å; M1-Q5 VanDerWaalsContact O-N 3.11Å; C2-Q5 PolarHBondContact O-N 3.17Å; Q5-Y7 VanDerWaalsContact C-N 3.31Å; Q5-Y7 PolarHBondContact O-N 2.91Å; Q5-M8 PolarHBondContact O-N 3.25Å; Q5-I9 WeakPolarHBondContact O-CG1 3.36Å; Q5-I9 PolarHBondContact O-N 3.25Å; Q5-I9 VanDerWaalsContact O-N 3.11Å
6L89.9Confident87.6Confident100 Ų10067.8 Ų67.852%0.52434%0.339SS..Hα-helixtrans-59.7-43.8174.3-174.568.3000111.2C2 F4 M8 I9 I10C2-L6 WeakPolarHBondContact O-CB 3.49Å; C2-L6 PolarHBondContact O-N 3.17Å; F4-L6 VanDerWaalsContact C-N 3.32Å; F4-L6 PolarHBondContact O-N 3.26Å; L6-M8 PolarHBondContact O-N 3Å; L6-I9 PolarHBondContact O-N 3.47Å; L6-I10 HydrophobicContact CD1-CD1 4Å; L6-I10 HydrophobicContact CD1-CG1 4.45Å; L6-I10 HydrophobicContact CD2-CD1 4.37Å; L6-I10 HydrophobicContact CG-CD1 3.78Å; L6-I10 WeakPolarHBondContact O-CG1 3.33Å; L6-I10 PolarHBondContact O-N 3.22Å
7Y92.2Very high87.9Confident7 Ų773.6 Ų73.63%0.02736%0.358CS..Hα-helixtrans-56.2-49.2173.2162.4-95.8000111.8L3 F4 Q5 I9 I10 A11 H23 M26 M30 I77 D80L3-Y7 WeakPolarHBondContact O-CB 3.41Å; L3-Y7 PolarHBondContact O-N 2.75Å; F4-Y7 AromaticContact CD2-CD1 3.83Å; F4-Y7 HydrophobicContact CD2-CD1 3.83Å; F4-Y7 AromaticContact CE2-CD1 3.71Å; F4-Y7 HydrophobicContact CE2-CD1 3.71Å; F4-Y7 HydrophobicContact CE2-CE1 4.06Å; F4-Y7 WeakPolarHBondContact O-CB 3.44Å; F4-Y7 PolarHBondContact O-N 2.95Å; Q5-Y7 VanDerWaalsContact C-N 3.31Å; Q5-Y7 PolarHBondContact O-N 2.91Å; Y7-I9 VanDerWaalsContact C-N 3.32Å; Y7-I9 PolarHBondContact O-N 3.4Å; Y7-I10 PolarHBondContact O-N 3.39Å; Y7-A11 HydrophobicContact CD2-CB 4.46Å; Y7-A11 HydrophobicContact CE1-CB 4.35Å; Y7-A11 HydrophobicContact CE2-CB 4.09Å; Y7-A11 WeakPolarHBondContact O-CA 3.5Å; Y7-A11 WeakPolarHBondContact O-CB 3.4Å; Y7-A11 PolarHBondContact O-N 2.97Å; Y7-H23 PolarHBondContact OH-NE2 2.97Å; Y7-M26 HydrophobicContact CD2-CB 4.11Å; Y7-M26 HydrophobicContact CD2-CE 4.03Å; Y7-M26 HydrophobicContact CE2-CB 3.87Å; Y7-M30 WeakPolarHBondContact CB-SD 3.33Å; Y7-M30 HydrophobicContact CD1-CB 4.24Å; Y7-M30 HydrophobicContact CD1-CG 3.64Å; Y7-M30 HydrophobicContact CD1-SD 4.34Å; Y7-M30 HydrophobicContact CD2-CB 3.73Å; Y7-M30 HydrophobicContact CD2-CG 3.91Å; Y7-M30 HydrophobicContact CD2-SD 4.4Å; Y7-M30 HydrophobicContact CE1-CB 4.4Å; Y7-M30 HydrophobicContact CE1-CG 4.12Å; Y7-M30 HydrophobicContact CE2-CB 3.94Å; Y7-M30 HydrophobicContact CE2-CG 4.39Å; Y7-M30 HydrophobicContact CG-CB 3.9Å; Y7-M30 HydrophobicContact CG-CG 3.51Å; Y7-M30 HydrophobicContact CG-SD 3.83Å; Y7-I77 HydrophobicContact CD1-CD1 4.44Å; Y7-I77 HydrophobicContact CE1-CD1 3.58Å; Y7-D80 PolarHBondContact OH-OD2 2.72Å
8M90.9Very high87.9Confident50 Ų5077.9 Ų77.925%0.24638%0.375CS..Hα-helixtrans-61.6-40-177.8-67.6-59.4-69.100112.2F4 Q5 L6 T12 M76F4-M8 HydrophobicContact CD2-CG 4.43Å; F4-M8 HydrophobicContact CE1-CG 4.12Å; F4-M8 HydrophobicContact CE1-SD 4.48Å; F4-M8 HydrophobicContact CE2-CG 4Å; F4-M8 HydrophobicContact CE2-SD 3.8Å; F4-M8 HydrophobicContact CZ-CG 3.81Å; F4-M8 HydrophobicContact CZ-SD 3.65Å; F4-M8 WeakPolarHBondContact O-CG 3.44Å; F4-M8 PolarHBondContact O-N 3.4Å; Q5-M8 PolarHBondContact O-N 3.25Å; L6-M8 PolarHBondContact O-N 3Å; M8-T12 WeakPolarHBondContact O-CB 3.28Å; M8-T12 PolarHBondContact O-N 3.3Å; M8-T12 PolarHBondContact O-OG1 2.85Å; M8-M76 HydrophobicContact CE-CE 4.08Å; M8-M76 HydrophobicContact CG-CE 4.25Å; M8-M76 HydrophobicContact SD-CE 4.43Å
9I92.8Very high88.1Confident106 Ų10679.4 Ų79.454%0.54438%0.38SS..Hα-helixtrans-63.4-52176.8-65.3167000110.2Q5 L6 Y7 A11 T12 I13Q5-I9 WeakPolarHBondContact O-CG1 3.36Å; Q5-I9 PolarHBondContact O-N 3.25Å; Q5-I9 VanDerWaalsContact O-N 3.11Å; L6-I9 PolarHBondContact O-N 3.47Å; Y7-I9 VanDerWaalsContact C-N 3.32Å; Y7-I9 PolarHBondContact O-N 3.4Å; I9-A11 PolarHBondContact O-N 2.98Å; I9-T12 PolarHBondContact O-N 2.88Å; I9-I13 HydrophobicContact CG2-CD1 4.19Å; I9-I13 WeakPolarHBondContact O-CG1 3.46Å; I9-I13 PolarHBondContact O-N 3.41Å
10I92.8Very high88Confident61 Ų6179.6 Ų79.631%0.31338%0.378SS..Hα-helixtrans-66.4-41.5-177.8-63.8171.5000110.9L6 Y7 T12 I13 I14 M26L6-I10 HydrophobicContact CD1-CD1 4Å; L6-I10 HydrophobicContact CD1-CG1 4.45Å; L6-I10 HydrophobicContact CD2-CD1 4.37Å; L6-I10 HydrophobicContact CG-CD1 3.78Å; L6-I10 WeakPolarHBondContact O-CG1 3.33Å; L6-I10 PolarHBondContact O-N 3.22Å; Y7-I10 PolarHBondContact O-N 3.39Å; I10-T12 VanDerWaalsContact C-N 3.32Å; I10-T12 PolarHBondContact O-N 2.93Å; I10-I13 PolarHBondContact O-N 3.33Å; I10-I14 HydrophobicContact CG2-CD1 3.53Å; I10-I14 HydrophobicContact CG2-CG1 4.11Å; I10-I14 WeakPolarHBondContact O-CB 3.39Å; I10-I14 VanDerWaalsContact O-CG1 3.28Å; I10-I14 WeakPolarHBondContact O-CG1 3.4Å; I10-I14 PolarHBondContact O-N 3.41Å; I10-M26 HydrophobicContact CB-CE 3.94Å; I10-M26 HydrophobicContact CD1-CE 4.47Å; I10-M26 HydrophobicContact CG2-CE 3.58Å; I10-M26 HydrophobicContact CG2-SD 3.75Å
11A90.1Very high88Confident0 Ų080 Ų800%039%0.386CS..Hα-helixtrans-57-46.917700000110.9Y7 I9 I13 I14 Q15Y7-A11 HydrophobicContact CD2-CB 4.46Å; Y7-A11 HydrophobicContact CE1-CB 4.35Å; Y7-A11 HydrophobicContact CE2-CB 4.09Å; Y7-A11 WeakPolarHBondContact O-CA 3.5Å; Y7-A11 WeakPolarHBondContact O-CB 3.4Å; Y7-A11 PolarHBondContact O-N 2.97Å; I9-A11 PolarHBondContact O-N 2.98Å; A11-I13 VanDerWaalsContact C-N 3.33Å; A11-I13 PolarHBondContact O-N 2.83Å; A11-I14 PolarHBondContact O-N 3.43Å; A11-Q15 VanDerWaalsContact O-CB 3.3Å; A11-Q15 WeakPolarHBondContact O-CB 3.31Å; A11-Q15 VanDerWaalsContact O-CD 3.28Å; A11-Q15 WeakPolarHBondContact O-CG 3.41Å; A11-Q15 PolarHBondContact O-N 2.91Å; A11-Q15 PolarHBondContact O-OE1 3.01Å
12T89.2Confident89.1Confident66 Ų6680.3 Ų80.341%0.40539%0.388SS..Hα-helixtrans-58.8-44.9177.9-55.30000111.3M8 I9 I10 Q15 W16M8-T12 WeakPolarHBondContact O-CB 3.28Å; M8-T12 PolarHBondContact O-N 3.3Å; M8-T12 PolarHBondContact O-OG1 2.85Å; I9-T12 PolarHBondContact O-N 2.88Å; I10-T12 VanDerWaalsContact C-N 3.32Å; I10-T12 PolarHBondContact O-N 2.93Å; T12-Q15 PolarHBondContact O-N 3.47Å; T12-W16 PolarHBondContact O-N 3.07Å
13I91.8Very high89.6Confident87 Ų8775.5 Ų75.545%0.44636%0.356SS..Hα-helixtrans-63.2-49.6178.1-65.3168.1000110.6I9 I10 A11 Q15 W16 Y17I9-I13 HydrophobicContact CG2-CD1 4.19Å; I9-I13 WeakPolarHBondContact O-CG1 3.46Å; I9-I13 PolarHBondContact O-N 3.41Å; I10-I13 PolarHBondContact O-N 3.33Å; A11-I13 VanDerWaalsContact C-N 3.33Å; A11-I13 PolarHBondContact O-N 2.83Å; I13-Q15 VanDerWaalsContact C-N 3.26Å; I13-Q15 PolarHBondContact O-N 3.15Å; I13-W16 WeakPolarHBondContact O-CB 3.41Å; I13-W16 PolarHBondContact O-N 2.83Å; I13-W16 VanDerWaalsContact O-N 3.14Å; I13-Y17 HydrophobicContact CG2-CD2 3.82Å; I13-Y17 HydrophobicContact CG2-CE2 3.76Å; I13-Y17 WeakPolarHBondContact O-CD2 3.18Å; I13-Y17 PolarHBondContact O-N 2.69Å
14I90.9Very high90Very high22 Ų2272.8 Ų72.811%0.11334%0.341CS..Hα-helixtrans-60.8-38.2-179.9-70.8175.6000111.3I10 A11 Y17 K18 H19 I22 H23 M26I10-I14 HydrophobicContact CG2-CD1 3.53Å; I10-I14 HydrophobicContact CG2-CG1 4.11Å; I10-I14 WeakPolarHBondContact O-CB 3.39Å; I10-I14 VanDerWaalsContact O-CG1 3.28Å; I10-I14 WeakPolarHBondContact O-CG1 3.4Å; I10-I14 PolarHBondContact O-N 3.41Å; A11-I14 PolarHBondContact O-N 3.43Å; I14-Y17 CarbonylContact O-C 3.57Å; I14-Y17 PolarHBondContact O-N 2.98Å; I14-K18 PolarHBondContact O-N 3.35Å; I14-K18 VanDerWaalsContact O-N 3.15Å; I14-H19 HydrophobicContact CG2-CB 3.69Å; I14-H19 VanDerWaalsContact CG2-O 3.24Å; I14-H19 WeakPolarHBondContact CG2-O 3.41Å; I14-H19 PolarHBondContact O-N 3.21Å; I14-I22 HydrophobicContact CD1-CG2 3.79Å; I14-I22 HydrophobicContact CG2-CB 4.11Å; I14-I22 HydrophobicContact CG2-CG2 4.47Å; I14-H23 HydrophobicContact CG2-CB 3.87Å; I14-M26 HydrophobicContact CD1-SD 3.42Å; I14-M26 WeakPolarHBondContact CD1-SD 3.4Å
15Q88.3Confident90.2Very high7 Ų774.1 Ų74.13%0.03335%0.351CS..Hα-helixtrans-65.6-43175.7-72.9161.6-10.800111.4A11 T12 I13 Y17 K18 H23 D80 W84A11-Q15 VanDerWaalsContact O-CB 3.3Å; A11-Q15 WeakPolarHBondContact O-CB 3.31Å; A11-Q15 VanDerWaalsContact O-CD 3.28Å; A11-Q15 WeakPolarHBondContact O-CG 3.41Å; A11-Q15 PolarHBondContact O-N 2.91Å; A11-Q15 PolarHBondContact O-OE1 3.01Å; T12-Q15 PolarHBondContact O-N 3.47Å; I13-Q15 VanDerWaalsContact C-N 3.26Å; I13-Q15 PolarHBondContact O-N 3.15Å; Q15-Y17 VanDerWaalsContact C-N 3.3Å; Q15-Y17 PolarHBondContact O-N 2.78Å; Q15-K18 WeakPolarHBondContact O-CA 3.38Å; Q15-K18 PolarHBondContact O-N 3.07Å; Q15-H23 HydrophobicContact CG-CB 4.5Å; Q15-H23 PolarHBondContact NE2-CD2 2.75Å; Q15-H23 PolarHBondContact NE2-NE2 3.1Å; Q15-D80 PolarHBondContact NE2-OD1 2.97Å; Q15-W84 HydrophobicContact CB-CE3 4.37Å; Q15-W84 HydrophobicContact CB-CH2 4.26Å; Q15-W84 HydrophobicContact CB-CZ3 4.16Å; Q15-W84 VanDerWaalsContact CD-CD2 3.49Å; Q15-W84 VanDerWaalsContact CD-CE2 3.44Å; Q15-W84 HydrophobicContact CG-CD2 4.1Å; Q15-W84 HydrophobicContact CG-CE3 4.12Å; Q15-W84 HydrophobicContact CG-CZ3 4.42Å
16W90Very high90.4Very high211 Ų21170.8 Ų70.880%0.79934%0.336SS*.Hα-helixtrans-57.8-41.3173.1-95.815.7000112.6T12 I13 K18T12-W16 PolarHBondContact O-N 3.07Å; I13-W16 WeakPolarHBondContact O-CB 3.41Å; I13-W16 PolarHBondContact O-N 2.83Å; I13-W16 VanDerWaalsContact O-N 3.14Å; W16-K18 PolarHBondContact O-N 3.4Å
17Y92.8Very high90.5Very high167 Ų16766 Ų6666%0.65531%0.311SS*.THydrogen-bonded Turntrans-80.57.2174.6-70-73.6000114.2I13 I14 Q15 H19I13-Y17 HydrophobicContact CG2-CD2 3.82Å; I13-Y17 HydrophobicContact CG2-CE2 3.76Å; I13-Y17 WeakPolarHBondContact O-CD2 3.18Å; I13-Y17 PolarHBondContact O-N 2.69Å; I14-Y17 CarbonylContact O-C 3.57Å; I14-Y17 PolarHBondContact O-N 2.98Å; Q15-Y17 VanDerWaalsContact C-N 3.3Å; Q15-Y17 PolarHBondContact O-N 2.78Å; Y17-H19 PolarHBondContact O-N 2.96Å; Y17-H19 VanDerWaalsContact O-N 3.16Å
18K88.3Confident90.5Very high152 Ų15265.7 Ų65.766%0.66131%0.31SS*.THydrogen-bonded Turntrans58.524.6177.4-57.2179.1179.8175.50114.3I14 Q15 W16 Y20I14-K18 PolarHBondContact O-N 3.35Å; I14-K18 VanDerWaalsContact O-N 3.15Å; Q15-K18 WeakPolarHBondContact O-CA 3.38Å; Q15-K18 PolarHBondContact O-N 3.07Å; W16-K18 PolarHBondContact O-N 3.4Å; K18-Y20 HydrophobicContact CB-CD2 4.4Å; K18-Y20 HydrophobicContact CB-CE2 3.76Å; K18-Y20 HydrophobicContact CG-CE2 4.26Å; K18-Y20 WeakPolarHBondContact O-CD2 3.4Å; K18-Y20 PolarHBondContact O-N 3.14Å
19H90.2Very high90.6Very high105 Ų10565.4 Ų65.449%0.48631%0.307SS..  trans-82.858.2176.6-73.4-61.5000112I14 Y17 T21 I22 H23I14-H19 HydrophobicContact CG2-CB 3.69Å; I14-H19 VanDerWaalsContact CG2-O 3.24Å; I14-H19 WeakPolarHBondContact CG2-O 3.41Å; I14-H19 PolarHBondContact O-N 3.21Å; Y17-H19 PolarHBondContact O-N 2.96Å; Y17-H19 VanDerWaalsContact O-N 3.16Å; H19-T21 VanDerWaalsContact C-N 3.27Å; H19-T21 PolarHBondContact O-N 3.05Å; H19-T21 VanDerWaalsContact O-N 3.14Å; H19-I22 HydrophobicContact CB-CB 4.45Å; H19-I22 HydrophobicContact CB-CD1 4.1Å; H19-I22 HydrophobicContact CB-CG1 4.35Å; H19-I22 PolarHBondContact O-N 3.39Å; H19-H23 PolarHBondContact O-N 3.41Å; H19-H23 VanDerWaalsContact O-N 3.16Å
20Y87Confident90.5Very high84 Ų8460.4 Ų60.433%0.32928%0.282SS..Hα-helixtrans-59.1-31.3-170.7-61.4-67.5000114.8K18 S24K18-Y20 HydrophobicContact CB-CD2 4.4Å; K18-Y20 HydrophobicContact CB-CE2 3.76Å; K18-Y20 HydrophobicContact CG-CE2 4.26Å; K18-Y20 WeakPolarHBondContact O-CD2 3.4Å; K18-Y20 PolarHBondContact O-N 3.14Å; Y20-S24 WeakPolarHBondContact O-CB 3.49Å; Y20-S24 PolarHBondContact O-N 3.22Å; Y20-S24 PolarHBondContact O-OG 3.04Å
21T87.1Confident90.5Very high88 Ų8857.6 Ų57.654%0.5427%0.268SS..Hα-helixtrans-66.6-40.4177.7-48.20000111.2H19 S24 C25H19-T21 VanDerWaalsContact C-N 3.27Å; H19-T21 PolarHBondContact O-N 3.05Å; H19-T21 VanDerWaalsContact O-N 3.14Å; T21-S24 WeakPolarHBondContact O-CB 3.47Å; T21-S24 PolarHBondContact O-N 3.45Å; T21-C25 PolarHBondContact O-N 3.27Å; T21-C25 PolarHBondContact O-SG 2.88Å
22I89.6Confident90.7Very high88 Ų8857.8 Ų57.845%0.45127%0.269SS..Hα-helixtrans-68.5-45.1178.3-54.4-179.6000109.7I14 H19 S24 C25 M26I14-I22 HydrophobicContact CD1-CG2 3.79Å; I14-I22 HydrophobicContact CG2-CB 4.11Å; I14-I22 HydrophobicContact CG2-CG2 4.47Å; H19-I22 HydrophobicContact CB-CB 4.45Å; H19-I22 HydrophobicContact CB-CD1 4.1Å; H19-I22 HydrophobicContact CB-CG1 4.35Å; H19-I22 PolarHBondContact O-N 3.39Å; I22-S24 PolarHBondContact O-N 3.09Å; I22-C25 PolarHBondContact O-N 3.38Å; I22-C25 VanDerWaalsContact O-N 3.11Å; I22-M26 WeakPolarHBondContact O-CG 3.23Å; I22-M26 PolarHBondContact O-N 3.39Å
23H92Very high90.7Very high1 Ų157.5 Ų57.51%0.00526%0.261CS..Hα-helixtrans-55.4-42.9173.8167.4-100.5000111.1Y7 I14 Q15 H19 C25 M26 Y27 D80Y7-H23 PolarHBondContact OH-NE2 2.97Å; I14-H23 HydrophobicContact CG2-CB 3.87Å; Q15-H23 HydrophobicContact CG-CB 4.5Å; Q15-H23 PolarHBondContact NE2-CD2 2.75Å; Q15-H23 PolarHBondContact NE2-NE2 3.1Å; H19-H23 PolarHBondContact O-N 3.41Å; H19-H23 VanDerWaalsContact O-N 3.16Å; H23-C25 PolarHBondContact O-N 3.31Å; H23-M26 PolarHBondContact O-N 2.99Å; H23-Y27 VanDerWaalsContact O-CB 3.26Å; H23-Y27 WeakPolarHBondContact O-CB 3.44Å; H23-Y27 PolarHBondContact O-N 3.42Å; H23-D80 IonicContact CE1-OD2 2.9Å; H23-D80 PolarHBondContact CE1-OD2 2.68Å; H23-D80 VanDerWaalsContact CE1-OD2 3.29Å; H23-D80 IonicContact NE2-OD1 3.79Å; H23-D80 IonicContact NE2-OD2 2.62Å; H23-D80 PolarHBondContact NE2-OD2 3.28Å
24S91.4Very high90.7Very high1 Ų153.7 Ų53.71%0.00724%0.241CC..Hα-helixtrans-60.4-47.3177.8-52.10000110.7Y20 T21 I22 M26 Y27 T28 K87 I89Y20-S24 WeakPolarHBondContact O-CB 3.49Å; Y20-S24 PolarHBondContact O-N 3.22Å; Y20-S24 PolarHBondContact O-OG 3.04Å; T21-S24 WeakPolarHBondContact O-CB 3.47Å; T21-S24 PolarHBondContact O-N 3.45Å; I22-S24 PolarHBondContact O-N 3.09Å; S24-M26 VanDerWaalsContact C-N 3.32Å; S24-M26 PolarHBondContact O-N 2.84Å; S24-Y27 WeakPolarHBondContact O-CB 3.36Å; S24-Y27 PolarHBondContact O-N 3.43Å; S24-T28 PolarHBondContact O-N 3.29Å; S24-T28 PolarHBondContact O-OG1 2.85Å; S24-K87 WeakPolarHBondContact CB-O 3.37Å; S24-K87 PolarHBondContact OG-N 2.95Å; S24-I89 VanDerWaalsContact CB-CD1 3.45Å; S24-I89 WeakPolarHBondContact O-CD1 3.42Å
25C89.7Confident90.8Very high35 Ų3553.6 Ų53.624%0.23624%0.241CC..Hα-helixtrans-60.4-44.6179.7-69.20000111.3T21 I22 H23 Y27 T28 F29 I89T21-C25 PolarHBondContact O-N 3.27Å; T21-C25 PolarHBondContact O-SG 2.88Å; I22-C25 PolarHBondContact O-N 3.38Å; I22-C25 VanDerWaalsContact O-N 3.11Å; H23-C25 PolarHBondContact O-N 3.31Å; C25-Y27 VanDerWaalsContact C-N 3.35Å; C25-T28 PolarHBondContact O-N 3.2Å; C25-F29 PolarHBondContact O-N 2.99Å; C25-F29 VanDerWaalsContact O-N 3.15Å; C25-I89 VanDerWaalsContact N-CD1 3.35Å; C25-I89 VanDerWaalsContact SG-CG2 3.59Å
26M90.9Very high90.8Very high48 Ų4853.5 Ų53.524%0.23624%0.241CC..Hα-helixtrans-64.3-40.5176.4-70.4-170.863.300112.1Y7 I10 I14 I22 H23 S24 F29 M30Y7-M26 HydrophobicContact CD2-CB 4.11Å; Y7-M26 HydrophobicContact CD2-CE 4.03Å; Y7-M26 HydrophobicContact CE2-CB 3.87Å; I10-M26 HydrophobicContact CB-CE 3.94Å; I10-M26 HydrophobicContact CD1-CE 4.47Å; I10-M26 HydrophobicContact CG2-CE 3.58Å; I10-M26 HydrophobicContact CG2-SD 3.75Å; I14-M26 HydrophobicContact CD1-SD 3.42Å; I14-M26 WeakPolarHBondContact CD1-SD 3.4Å; I22-M26 WeakPolarHBondContact O-CG 3.23Å; I22-M26 PolarHBondContact O-N 3.39Å; H23-M26 PolarHBondContact O-N 2.99Å; S24-M26 VanDerWaalsContact C-N 3.32Å; S24-M26 PolarHBondContact O-N 2.84Å; M26-F29 PolarHBondContact O-N 3.29Å; M26-M30 VanDerWaalsContact O-CB 3.27Å; M26-M30 WeakPolarHBondContact O-CB 3.42Å; M26-M30 PolarHBondContact O-N 3.15Å
27Y93.2Very high90.7Very high1 Ų145.4 Ų45.40%0.00422%0.216CC..Hα-helixtrans-58.8-49.8176.4169.3-85.3000110.5H23 S24 C25 F29 M30 A31 I77 A81 P86 I154H23-Y27 VanDerWaalsContact O-CB 3.26Å; H23-Y27 WeakPolarHBondContact O-CB 3.44Å; H23-Y27 PolarHBondContact O-N 3.42Å; S24-Y27 WeakPolarHBondContact O-CB 3.36Å; S24-Y27 PolarHBondContact O-N 3.43Å; C25-Y27 VanDerWaalsContact C-N 3.35Å; Y27-F29 VanDerWaalsContact C-N 3.32Å; Y27-F29 PolarHBondContact O-N 2.96Å; Y27-M30 PolarHBondContact O-N 3.16Å; Y27-A31 HydrophobicContact CE1-CB 4.11Å; Y27-A31 WeakPolarHBondContact O-CB 3.35Å; Y27-A31 PolarHBondContact O-N 2.65Å; Y27-I77 HydrophobicContact CD2-CD1 3.68Å; Y27-I77 HydrophobicContact CD2-CG1 4.06Å; Y27-I77 HydrophobicContact CE2-CD1 3.77Å; Y27-I77 HydrophobicContact CE2-CG1 3.62Å; Y27-I77 WeakPolarHBondContact CE2-O 3.26Å; Y27-A81 HydrophobicContact CD2-CB 4.49Å; Y27-A81 HydrophobicContact CE2-CB 3.44Å; Y27-A81 VanDerWaalsContact CE2-CB 3.44Å; Y27-A81 VanDerWaalsContact CZ-CB 3.47Å; Y27-A81 WeakPolarHBondContact OH-CB 3.34Å; Y27-P86 HydrophobicContact CD1-CB 4.24Å; Y27-P86 HydrophobicContact CD1-CG 3.88Å; Y27-P86 HydrophobicContact CD2-CG 4.34Å; Y27-P86 HydrophobicContact CE1-CG 4.11Å; Y27-P86 HydrophobicContact CG-CB 4.29Å; Y27-P86 HydrophobicContact CG-CG 4.04Å; Y27-I154 HydrophobicContact CD1-CD1 3.74Å; Y27-I154 HydrophobicContact CD1-CG1 3.98Å; Y27-I154 HydrophobicContact CE1-CD1 3.94Å; Y27-I154 HydrophobicContact CE1-CG1 3.72Å
28T92.6Very high90.7Very high0 Ų039.6 Ų39.60%019%0.194CC..Hα-helixtrans-62.6-42.5-178.5-52.90000111.5S24 C25 T32 I89 N147 I154S24-T28 PolarHBondContact O-N 3.29Å; S24-T28 PolarHBondContact O-OG1 2.85Å; C25-T28 PolarHBondContact O-N 3.2Å; T28-T32 WeakPolarHBondContact O-CB 3.09Å; T28-T32 PolarHBondContact O-N 3.31Å; T28-T32 PolarHBondContact O-OG1 3.14Å; T28-I89 WeakPolarHBondContact OG1-CD1 3.48Å; T28-N147 WeakPolarHBondContact CG2-OD1 3.22Å; T28-I154 WeakPolarHBondContact OG1-CD1 3.4Å
29F91.2Very high90.8Very high43 Ų4336.1 Ų36.119%0.18918%0.18CC..Hα-helixtrans-59.9-50.5175.2174.3-98.6000111.4L3 C25 M26 Y27 T32 Y33 P97 F101L3-F29 HydrophobicContact CD2-CE1 4.18Å; C25-F29 PolarHBondContact O-N 2.99Å; C25-F29 VanDerWaalsContact O-N 3.15Å; M26-F29 PolarHBondContact O-N 3.29Å; Y27-F29 VanDerWaalsContact C-N 3.32Å; Y27-F29 PolarHBondContact O-N 2.96Å; F29-T32 WeakPolarHBondContact O-CB 3.3Å; F29-T32 PolarHBondContact O-N 3.31Å; F29-Y33 PolarHBondContact O-N 3.16Å; F29-P97 HydrophobicContact CD2-CB 4.11Å; F29-F101 HydrophobicContact CE2-CB 3.61Å; F29-F101 HydrophobicContact CE2-CD1 4.48Å; F29-F101 HydrophobicContact CE2-CD2 4.38Å; F29-F101 AromaticContact CE2-CG 3.91Å; F29-F101 HydrophobicContact CE2-CG 3.91Å; F29-F101 HydrophobicContact CZ-CB 3.83Å; F29-F101 HydrophobicContact CZ-CD1 4.27Å; F29-F101 AromaticContact CZ-CD2 3.72Å; F29-F101 HydrophobicContact CZ-CD2 3.72Å; F29-F101 HydrophobicContact CZ-CE2 4.35Å; F29-F101 AromaticContact CZ-CG 3.66Å; F29-F101 HydrophobicContact CZ-CG 3.66Å
30M92.2Very high90.7Very high2 Ų234.6 Ų34.61%0.0118%0.175CC..Hα-helixtrans-66-41-178.5-166.272.5-129.800112.2L3 F4 Y7 M26 Y27 T32 Y33 I34 I77L3-M30 HydrophobicContact CD2-CE 3.97Å; L3-M30 HydrophobicContact CD2-SD 3.76Å; F4-M30 HydrophobicContact CB-CE 3.56Å; F4-M30 HydrophobicContact CB-SD 4.41Å; F4-M30 HydrophobicContact CD2-CE 3.74Å; F4-M30 HydrophobicContact CD2-CG 3.76Å; F4-M30 HydrophobicContact CD2-SD 4.03Å; F4-M30 HydrophobicContact CE2-CG 4.26Å; F4-M30 HydrophobicContact CG-CE 4.09Å; Y7-M30 WeakPolarHBondContact CB-SD 3.33Å; Y7-M30 HydrophobicContact CD1-CB 4.24Å; Y7-M30 HydrophobicContact CD1-CG 3.64Å; Y7-M30 HydrophobicContact CD1-SD 4.34Å; Y7-M30 HydrophobicContact CD2-CB 3.73Å; Y7-M30 HydrophobicContact CD2-CG 3.91Å; Y7-M30 HydrophobicContact CD2-SD 4.4Å; Y7-M30 HydrophobicContact CE1-CB 4.4Å; Y7-M30 HydrophobicContact CE1-CG 4.12Å; Y7-M30 HydrophobicContact CE2-CB 3.94Å; Y7-M30 HydrophobicContact CE2-CG 4.39Å; Y7-M30 HydrophobicContact CG-CB 3.9Å; Y7-M30 HydrophobicContact CG-CG 3.51Å; Y7-M30 HydrophobicContact CG-SD 3.83Å; M26-M30 VanDerWaalsContact O-CB 3.27Å; M26-M30 WeakPolarHBondContact O-CB 3.42Å; M26-M30 PolarHBondContact O-N 3.15Å; Y27-M30 PolarHBondContact O-N 3.16Å; M30-T32 VanDerWaalsContact C-N 3.33Å; M30-T32 PolarHBondContact O-N 2.97Å; M30-Y33 HydrophobicContact CE-CD1 3.35Å; M30-Y33 HydrophobicContact CE-CE1 3.91Å; M30-Y33 HydrophobicContact CE-CG 4.16Å; M30-Y33 PolarHBondContact O-N 2.81Å; M30-I34 HydrophobicContact CE-CD1 3.88Å; M30-I34 HydrophobicContact CE-CG1 3.68Å; M30-I34 HydrophobicContact CG-CD1 4.02Å; M30-I34 WeakPolarHBondContact O-CB 3.26Å; M30-I34 VanDerWaalsContact O-CG1 3.29Å; M30-I34 WeakPolarHBondContact O-CG1 3.41Å; M30-I34 PolarHBondContact O-N 3.39Å; M30-I77 HydrophobicContact CB-CD1 4.15Å; M30-I77 HydrophobicContact CG-CD1 4.12Å
31A92.9Very high90.8Very high2 Ų231.7 Ų31.72%0.01716%0.164CC..Hα-helixtrans-61.5-42.4175.300000111.2Y27 I34 L35 I77 S150Y27-A31 HydrophobicContact CE1-CB 4.11Å; Y27-A31 WeakPolarHBondContact O-CB 3.35Å; Y27-A31 PolarHBondContact O-N 2.65Å; A31-I34 PolarHBondContact O-N 3.38Å; A31-L35 VanDerWaalsContact O-CB 3.3Å; A31-L35 WeakPolarHBondContact O-CB 3.44Å; A31-L35 VanDerWaalsContact O-CG 3.31Å; A31-L35 WeakPolarHBondContact O-CG 3.42Å; A31-L35 PolarHBondContact O-N 3.41Å; A31-I77 HydrophobicContact CB-CG1 3.86Å; A31-S150 WeakPolarHBondContact CB-OG 3.43Å
32T92.7Very high91Very high3 Ų330.2 Ų30.22%0.01815%0.148CC..Hα-helixtrans-61.8-47.4175.1-56.70000111.2T28 F29 M30 I34 L35 T36 I143 F146 N147 S150T28-T32 WeakPolarHBondContact O-CB 3.09Å; T28-T32 PolarHBondContact O-N 3.31Å; T28-T32 PolarHBondContact O-OG1 3.14Å; F29-T32 WeakPolarHBondContact O-CB 3.3Å; F29-T32 PolarHBondContact O-N 3.31Å; M30-T32 VanDerWaalsContact C-N 3.33Å; M30-T32 PolarHBondContact O-N 2.97Å; T32-I34 PolarHBondContact O-N 2.79Å; T32-L35 PolarHBondContact O-N 3.2Å; T32-T36 WeakPolarHBondContact O-CB 3.19Å; T32-T36 PolarHBondContact O-N 3.46Å; T32-T36 PolarHBondContact O-OG1 2.94Å; T32-I143 HydrophobicContact CG2-CG2 4.03Å; T32-F146 HydrophobicContact CG2-CB 4.02Å; T32-N147 HydrophobicContact CG2-CB 4.06Å; T32-N147 VanDerWaalsContact OG1-CA 3.26Å; T32-N147 WeakPolarHBondContact OG1-CA 3.44Å; T32-S150 PolarHBondContact N-OG 3.35Å; T32-S150 PolarHBondContact OG1-OG 2.99Å
33Y90Very high91Very high61 Ų6131 Ų3124%0.23915%0.153CC..Hα-helixtrans-58-49.2176.6173.2-90000111.6F29 M30 T36 S37 F101F29-Y33 PolarHBondContact O-N 3.16Å; M30-Y33 HydrophobicContact CE-CD1 3.35Å; M30-Y33 HydrophobicContact CE-CE1 3.91Å; M30-Y33 HydrophobicContact CE-CG 4.16Å; M30-Y33 PolarHBondContact O-N 2.81Å; Y33-T36 WeakPolarHBondContact O-CB 3.18Å; Y33-T36 PolarHBondContact O-N 3.04Å; Y33-S37 PolarHBondContact O-N 2.96Å; Y33-S37 PolarHBondContact O-OG 2.76Å; Y33-F101 AromaticContact CD2-CE1 3.64Å; Y33-F101 HydrophobicContact CD2-CE1 3.64Å; Y33-F101 AromaticContact CD2-CZ 3.87Å; Y33-F101 HydrophobicContact CD2-CZ 3.87Å; Y33-F101 AromaticContact CE2-CE1 3.9Å; Y33-F101 HydrophobicContact CE2-CE1 3.9Å; Y33-F101 AromaticContact CE2-CZ 3.81Å; Y33-F101 HydrophobicContact CE2-CZ 3.81Å
34I91.8Very high90.7Very high7 Ų733.9 Ų33.94%0.03617%0.17CC..Hα-helixtrans-64.5-45.1-178.5-72.8175.2000111.3F4 M30 A31 T32 T36 S37 F38 G73 L74 I77F4-I34 HydrophobicContact CD2-CD1 3.45Å; F4-I34 VanDerWaalsContact CD2-CD1 3.45Å; F4-I34 HydrophobicContact CE2-CD1 3.58Å; F4-I34 HydrophobicContact CG-CD1 4.05Å; F4-I34 HydrophobicContact CZ-CD1 4.3Å; M30-I34 HydrophobicContact CE-CD1 3.88Å; M30-I34 HydrophobicContact CE-CG1 3.68Å; M30-I34 HydrophobicContact CG-CD1 4.02Å; M30-I34 WeakPolarHBondContact O-CB 3.26Å; M30-I34 VanDerWaalsContact O-CG1 3.29Å; M30-I34 WeakPolarHBondContact O-CG1 3.41Å; M30-I34 PolarHBondContact O-N 3.39Å; A31-I34 PolarHBondContact O-N 3.38Å; T32-I34 PolarHBondContact O-N 2.79Å; I34-T36 VanDerWaalsContact C-N 3.25Å; I34-T36 PolarHBondContact O-N 2.86Å; I34-S37 PolarHBondContact O-N 3.32Å; I34-F38 WeakPolarHBondContact O-CB 3.44Å; I34-F38 PolarHBondContact O-N 3.48Å; I34-G73 WeakPolarHBondContact CD1-O 3.27Å; I34-L74 HydrophobicContact CG2-CB 4.01Å; I34-L74 HydrophobicContact CG2-CD1 4.36Å; I34-L74 VanDerWaalsContact CG2-N 3.28Å; I34-I77 HydrophobicContact CD1-CB 3.87Å; I34-I77 HydrophobicContact CD1-CG1 4.31Å; I34-I77 HydrophobicContact CD1-CG2 4.19Å; I34-I77 HydrophobicContact CG2-CG2 4.21Å
35L92.3Very high90.5Very high19 Ų1936.5 Ų36.510%0.09918%0.18CC..Hα-helixtrans-58.3-41.9175.1-79.9166.3000111A31 T32 H39 L74 F146A31-L35 VanDerWaalsContact O-CB 3.3Å; A31-L35 WeakPolarHBondContact O-CB 3.44Å; A31-L35 VanDerWaalsContact O-CG 3.31Å; A31-L35 WeakPolarHBondContact O-CG 3.42Å; A31-L35 PolarHBondContact O-N 3.41Å; T32-L35 PolarHBondContact O-N 3.2Å; L35-H39 WeakPolarHBondContact O-CB 3.36Å; L35-H39 PolarHBondContact O-N 3.47Å; L35-H39 PolarHBondContact O-ND1 3.34Å; L35-L74 HydrophobicContact CD2-CD1 3.7Å; L35-L74 HydrophobicContact CG-CD1 4.24Å; L35-F146 HydrophobicContact CB-CB 4.03Å; L35-F146 HydrophobicContact CB-CD1 4.18Å; L35-F146 HydrophobicContact CB-CD2 4.13Å; L35-F146 HydrophobicContact CB-CG 3.86Å; L35-F146 HydrophobicContact CD1-CB 4.34Å
36T89.2Confident90.4Very high6 Ų642.2 Ų42.24%0.03720%0.202CC..Hα-helixtrans-62.9-54.2177.7-51.60000111.1T32 Y33 I34 F38 H39 I40 F139 I142 I143 F146T32-T36 WeakPolarHBondContact O-CB 3.19Å; T32-T36 PolarHBondContact O-N 3.46Å; T32-T36 PolarHBondContact O-OG1 2.94Å; Y33-T36 WeakPolarHBondContact O-CB 3.18Å; Y33-T36 PolarHBondContact O-N 3.04Å; I34-T36 VanDerWaalsContact C-N 3.25Å; I34-T36 PolarHBondContact O-N 2.86Å; T36-F38 VanDerWaalsContact C-N 3.33Å; T36-F38 PolarHBondContact O-N 2.84Å; T36-H39 PolarHBondContact O-N 3.38Å; T36-I40 HydrophobicContact CG2-CD1 3.71Å; T36-I40 HydrophobicContact CG2-CG1 4.45Å; T36-I40 WeakPolarHBondContact O-CB 3.37Å; T36-I40 VanDerWaalsContact O-CG1 3.29Å; T36-I40 WeakPolarHBondContact O-CG1 3.02Å; T36-I40 PolarHBondContact O-N 3.33Å; T36-F139 HydrophobicContact CG2-CZ 4.32Å; T36-I142 HydrophobicContact CG2-CG2 4.19Å; T36-I143 HydrophobicContact CG2-CD1 4.28Å; T36-I143 HydrophobicContact CG2-CG1 4.18Å; T36-F146 WeakPolarHBondContact OG1-CD2 3.49Å
37S88.1Confident90.3Very high41 Ų4146.7 Ų46.729%0.28723%0.225SC..Hα-helixtrans-61.7-41.4179.8-610000112.3Y33 I34 Y41Y33-S37 PolarHBondContact O-N 2.96Å; Y33-S37 PolarHBondContact O-OG 2.76Å; I34-S37 PolarHBondContact O-N 3.32Å; S37-Y41 VanDerWaalsContact O-CB 3.3Å; S37-Y41 WeakPolarHBondContact O-CB 3.21Å; S37-Y41 PolarHBondContact O-N 2.92Å
38F92Very high89.8Confident44 Ų4449.7 Ų49.719%0.19324%0.242CC..Hα-helixtrans-58.1-53176175.8-92.1000111I34 T36 Y41 W42 L74I34-F38 WeakPolarHBondContact O-CB 3.44Å; I34-F38 PolarHBondContact O-N 3.48Å; T36-F38 VanDerWaalsContact C-N 3.33Å; T36-F38 PolarHBondContact O-N 2.84Å; F38-Y41 PolarHBondContact O-N 3.44Å; F38-W42 AromaticContact CD1-CD1 3.98Å; F38-W42 AromaticContact CD2-CD1 3.56Å; F38-W42 AromaticContact CD2-NE1 3.57Å; F38-W42 AromaticContact CE1-CD1 3.75Å; F38-W42 AromaticContact CE2-CD1 3.33Å; F38-W42 AromaticContact CE2-NE1 3.08Å; F38-W42 AromaticContact CG-CD1 3.89Å; F38-W42 AromaticContact CZ-CD1 3.42Å; F38-W42 VanDerWaalsContact CZ-CD1 3.42Å; F38-W42 HydrophobicContact CZ-CG 4.35Å; F38-W42 AromaticContact CZ-NE1 3.49Å; F38-W42 PolarHBondContact O-N 3.31Å; F38-L74 HydrophobicContact CD1-CD2 4.15Å; F38-L74 HydrophobicContact CD2-CB 4.28Å; F38-L74 HydrophobicContact CD2-CD2 3.98Å; F38-L74 HydrophobicContact CE1-CD2 4.06Å; F38-L74 HydrophobicContact CE2-CD2 3.86Å; F38-L74 HydrophobicContact CG-CD2 4.11Å; F38-L74 HydrophobicContact CZ-CD2 3.91Å
39H91.3Very high89.2Confident80 Ų8052.4 Ų52.437%0.3726%0.261SS..Hα-helixtrans-66.2-42-177.8-77.781.5000112L35 T36 Y41 W42 L43 F146L35-H39 WeakPolarHBondContact O-CB 3.36Å; L35-H39 PolarHBondContact O-N 3.47Å; L35-H39 PolarHBondContact O-ND1 3.34Å; T36-H39 PolarHBondContact O-N 3.38Å; H39-Y41 VanDerWaalsContact C-N 3.33Å; H39-Y41 PolarHBondContact O-N 3.36Å; H39-W42 PolarHBondContact O-N 3.11Å; H39-L43 WeakPolarHBondContact O-CB 3.24Å; H39-L43 PolarHBondContact O-N 3.32Å; H39-F146 HydrophobicContact CB-CE2 3.97Å; H39-F146 HydrophobicContact CB-CZ 3.71Å; H39-F146 AromaticContact CD2-CZ 3.76Å; H39-F146 AromaticContact CE1-CE1 3.75Å; H39-F146 AromaticContact CE1-CZ 3.78Å; H39-F146 AromaticContact CG-CZ 3.33Å; H39-F146 AromaticContact ND1-CE1 3.77Å; H39-F146 AromaticContact ND1-CE2 3.96Å; H39-F146 AromaticContact ND1-CZ 3.35Å; H39-F146 VanDerWaalsContact ND1-CZ 3.35Å; H39-F146 WeakPolarHBondContact ND1-CZ 3.15Å
40I87.3Confident88.7Confident72 Ų7254.7 Ų54.737%0.36928%0.275SS..Hα-helixtrans-59.9-46.7177.3-69170.5000110.3T36 L43 V44 F139T36-I40 HydrophobicContact CG2-CD1 3.71Å; T36-I40 HydrophobicContact CG2-CG1 4.45Å; T36-I40 WeakPolarHBondContact O-CB 3.37Å; T36-I40 VanDerWaalsContact O-CG1 3.29Å; T36-I40 WeakPolarHBondContact O-CG1 3.02Å; T36-I40 PolarHBondContact O-N 3.33Å; I40-L43 PolarHBondContact O-N 2.93Å; I40-V44 HydrophobicContact CG2-CG2 4.46Å; I40-V44 WeakPolarHBondContact O-CB 3.39Å; I40-V44 VanDerWaalsContact O-CG2 3.29Å; I40-V44 WeakPolarHBondContact O-CG2 3.12Å; I40-V44 PolarHBondContact O-N 3.39Å; I40-F139 HydrophobicContact CD1-CE2 3.65Å; I40-F139 HydrophobicContact CD1-CZ 4.26Å
41Y88.9Confident87.8Confident24 Ų2456.8 Ų56.89%0.09429%0.292CS..Hα-helixtrans-59-52.3179.1174.1-97000112.2S37 F38 H39 L43 V44 Y45 I52 M66 H67 N70S37-Y41 VanDerWaalsContact O-CB 3.3Å; S37-Y41 WeakPolarHBondContact O-CB 3.21Å; S37-Y41 PolarHBondContact O-N 2.92Å; F38-Y41 PolarHBondContact O-N 3.44Å; H39-Y41 VanDerWaalsContact C-N 3.33Å; H39-Y41 PolarHBondContact O-N 3.36Å; Y41-L43 VanDerWaalsContact C-N 3.34Å; Y41-L43 PolarHBondContact O-N 3.41Å; Y41-V44 PolarHBondContact O-N 3.07Å; Y41-Y45 WeakPolarHBondContact O-CB 3.21Å; Y41-Y45 PolarHBondContact O-N 3.3Å; Y41-I52 HydrophobicContact CD2-CD1 4.17Å; Y41-I52 HydrophobicContact CE2-CD1 3.58Å; Y41-I52 HydrophobicContact CE2-CG2 4.36Å; Y41-M66 VanDerWaalsContact OH-C 3.31Å; Y41-M66 WeakPolarHBondContact OH-CB 2.97Å; Y41-M66 PolarHBondContact OH-O 2.74Å; Y41-H67 AromaticContact CE1-ND1 3.56Å; Y41-H67 AromaticContact CZ-ND1 3.57Å; Y41-H67 PolarHBondContact OH-CE1 3.03Å; Y41-H67 PolarHBondContact OH-N 2.9Å; Y41-H67 PolarHBondContact OH-ND1 3.44Å; Y41-N70 HydrophobicContact CD1-CB 3.6Å; Y41-N70 HydrophobicContact CD2-CB 3.89Å; Y41-N70 VanDerWaalsContact CD2-CG 3.47Å; Y41-N70 VanDerWaalsContact CD2-ND2 3.33Å; Y41-N70 WeakPolarHBondContact CD2-ND2 3.47Å; Y41-N70 HydrophobicContact CE1-CB 3.99Å; Y41-N70 HydrophobicContact CE2-CB 4.24Å; Y41-N70 WeakPolarHBondContact CE2-ND2 3.46Å; Y41-N70 HydrophobicContact CG-CB 3.55Å
42W91.7Very high86.7Confident56 Ų5657.7 Ų57.721%0.21230%0.297CS..Hα-helixtrans-67.9-35.6-178.2-77.8106.4000112.2F38 H39 Y45 F46 H67 S71F38-W42 AromaticContact CD1-CD1 3.98Å; F38-W42 AromaticContact CD2-CD1 3.56Å; F38-W42 AromaticContact CD2-NE1 3.57Å; F38-W42 AromaticContact CE1-CD1 3.75Å; F38-W42 AromaticContact CE2-CD1 3.33Å; F38-W42 AromaticContact CE2-NE1 3.08Å; F38-W42 AromaticContact CG-CD1 3.89Å; F38-W42 AromaticContact CZ-CD1 3.42Å; F38-W42 VanDerWaalsContact CZ-CD1 3.42Å; F38-W42 HydrophobicContact CZ-CG 4.35Å; F38-W42 AromaticContact CZ-NE1 3.49Å; F38-W42 PolarHBondContact O-N 3.31Å; H39-W42 PolarHBondContact O-N 3.11Å; W42-Y45 AromaticContact CE3-CD1 3.86Å; W42-Y45 HydrophobicContact CE3-CD1 3.86Å; W42-Y45 AromaticContact CZ3-CD1 3.81Å; W42-Y45 HydrophobicContact CZ3-CD1 3.81Å; W42-Y45 HydrophobicContact CZ3-CE1 4.06Å; W42-Y45 PolarHBondContact O-N 3.27Å; W42-F46 HydrophobicContact CB-CD2 4.38Å; W42-F46 HydrophobicContact CB-CE2 4.14Å; W42-F46 AromaticContact CE3-CE2 3.93Å; W42-F46 HydrophobicContact CE3-CE2 3.93Å; W42-F46 AromaticContact CE3-CZ 3.89Å; W42-F46 HydrophobicContact CE3-CZ 3.89Å; W42-F46 HydrophobicContact CZ3-CZ 4.34Å; W42-F46 WeakPolarHBondContact O-CB 3.38Å; W42-F46 WeakPolarHBondContact O-CD2 3.21Å; W42-F46 WeakPolarHBondContact O-CG 3.28Å; W42-F46 PolarHBondContact O-N 2.93Å; W42-H67 HydrophobicContact CH2-CB 4.21Å; W42-H67 AromaticContact CH2-ND1 3.98Å; W42-H67 HydrophobicContact CZ2-CB 4.25Å; W42-S71 WeakPolarHBondContact CZ2-OG 3.41Å; W42-S71 PolarHBondContact NE1-OG 3.4Å; W42-S71 VanDerWaalsContact NE1-OG 3.1Å
43L89Confident85.7Confident106 Ų10659.5 Ų59.556%0.55531%0.308SS*.Hα-helixtrans-65.7-44.2176.4-165.6152.9000111H39 I40 Y41 F46 L47H39-L43 WeakPolarHBondContact O-CB 3.24Å; H39-L43 PolarHBondContact O-N 3.32Å; I40-L43 PolarHBondContact O-N 2.93Å; Y41-L43 VanDerWaalsContact C-N 3.34Å; Y41-L43 PolarHBondContact O-N 3.41Å; L43-F46 PolarHBondContact O-N 3.2Å; L43-L47 HydrophobicContact CD2-CD1 3.46Å; L43-L47 VanDerWaalsContact CD2-CD1 3.46Å; L43-L47 HydrophobicContact CD2-CG 4.17Å; L43-L47 WeakPolarHBondContact O-CB 3.48Å; L43-L47 WeakPolarHBondContact O-CG 3.43Å; L43-L47 PolarHBondContact O-N 3.48Å
44V85.8Confident84.8Confident60 Ų6064 Ų6436%0.36433%0.328SS..Hα-helixtrans-61.2-45.1172.9170.80000110.7I40 Y41 F46 L47 D48 A51 I52I40-V44 HydrophobicContact CG2-CG2 4.46Å; I40-V44 WeakPolarHBondContact O-CB 3.39Å; I40-V44 VanDerWaalsContact O-CG2 3.29Å; I40-V44 WeakPolarHBondContact O-CG2 3.12Å; I40-V44 PolarHBondContact O-N 3.39Å; Y41-V44 PolarHBondContact O-N 3.07Å; V44-F46 PolarHBondContact O-N 3.48Å; V44-L47 PolarHBondContact O-N 2.88Å; V44-D48 CarbonylContact O-C 3.6Å; V44-D48 PolarHBondContact O-N 3.12Å; V44-A51 HydrophobicContact CG1-CB 4.01Å; V44-I52 HydrophobicContact CG1-CG1 4.36Å
45Y87.2Confident83.7Confident57 Ų5766.8 Ų66.822%0.22434%0.344CS..Hα-helixtrans-59.7-43.1178.6-179.7-112.7000112.9Y41 W42 S49 I52 L63 H67Y41-Y45 WeakPolarHBondContact O-CB 3.21Å; Y41-Y45 PolarHBondContact O-N 3.3Å; W42-Y45 AromaticContact CE3-CD1 3.86Å; W42-Y45 HydrophobicContact CE3-CD1 3.86Å; W42-Y45 AromaticContact CZ3-CD1 3.81Å; W42-Y45 HydrophobicContact CZ3-CD1 3.81Å; W42-Y45 HydrophobicContact CZ3-CE1 4.06Å; W42-Y45 PolarHBondContact O-N 3.27Å; Y45-S49 WeakPolarHBondContact O-CA 3.44Å; Y45-S49 PolarHBondContact O-N 2.77Å; Y45-S49 VanDerWaalsContact O-N 3.14Å; Y45-I52 HydrophobicContact CD2-CD1 3.78Å; Y45-I52 HydrophobicContact CG-CD1 4.16Å; Y45-L63 HydrophobicContact CE2-CD2 4.36Å; Y45-H67 AromaticContact CD2-CE1 3.72Å; Y45-H67 AromaticContact CE1-CE1 3.85Å; Y45-H67 AromaticContact CE2-CE1 3.43Å; Y45-H67 VanDerWaalsContact CE2-CE1 3.43Å; Y45-H67 WeakPolarHBondContact CE2-CE1 3.48Å; Y45-H67 AromaticContact CE2-NE2 3.88Å; Y45-H67 AromaticContact CZ-CE1 3.5Å; Y45-H67 VanDerWaalsContact CZ-CE1 3.5Å; Y45-H67 AromaticContact CZ-NE2 3.67Å
46F88.5Confident82.8Confident155 Ų15570.6 Ų70.668%0.6837%0.37SS*.Hα-helixtrans-72.5-32.3179.7-72.3-53.3000113.1W42 L43 V44W42-F46 HydrophobicContact CB-CD2 4.38Å; W42-F46 HydrophobicContact CB-CE2 4.14Å; W42-F46 AromaticContact CE3-CE2 3.93Å; W42-F46 HydrophobicContact CE3-CE2 3.93Å; W42-F46 AromaticContact CE3-CZ 3.89Å; W42-F46 HydrophobicContact CE3-CZ 3.89Å; W42-F46 HydrophobicContact CZ3-CZ 4.34Å; W42-F46 WeakPolarHBondContact O-CB 3.38Å; W42-F46 WeakPolarHBondContact O-CD2 3.21Å; W42-F46 WeakPolarHBondContact O-CG 3.28Å; W42-F46 PolarHBondContact O-N 2.93Å; L43-F46 PolarHBondContact O-N 3.2Å; V44-F46 PolarHBondContact O-N 3.48Å
47L88.1Confident82Confident141 Ų14177.4 Ų77.474%0.73840%0.401SS*.Hα-helixtrans-79-44.2177.8-70.9-178.3000112.6L43 V44L43-L47 HydrophobicContact CD2-CD1 3.46Å; L43-L47 VanDerWaalsContact CD2-CD1 3.46Å; L43-L47 HydrophobicContact CD2-CG 4.17Å; L43-L47 WeakPolarHBondContact O-CB 3.48Å; L43-L47 WeakPolarHBondContact O-CG 3.43Å; L43-L47 PolarHBondContact O-N 3.48Å; V44-L47 PolarHBondContact O-N 2.88Å
48D83.4Confident81Confident64 Ų6478.6 Ų78.634%0.34240%0.404SS..  trans-147.293.5175.9-1767.6000110.4V44 N50 A51V44-D48 CarbonylContact O-C 3.6Å; V44-D48 PolarHBondContact O-N 3.12Å; D48-N50 PolarHBondContact O-N 3.04Å; D48-N50 VanDerWaalsContact O-N 3.13Å; D48-N50 VanDerWaalsContact OD1-CB 3.32Å; D48-N50 WeakPolarHBondContact OD1-CB 3.41Å; D48-N50 PolarHBondContact OD1-N 3.42Å; D48-A51 HydrophobicContact CB-CB 4.08Å; D48-A51 VanDerWaalsContact O-CB 3.27Å; D48-A51 WeakPolarHBondContact O-CB 3.36Å; D48-A51 PolarHBondContact O-N 3.21Å; D48-A51 PolarHBondContact OD1-N 3.35Å
49S80.5Confident80.2Confident57 Ų5781.5 Ų81.540%0.39942%0.422SS..Hα-helixtrans-59-24.1176.262.80000113.3Y45Y45-S49 WeakPolarHBondContact O-CA 3.44Å; Y45-S49 PolarHBondContact O-N 2.77Å; Y45-S49 VanDerWaalsContact O-N 3.14Å
50N79.2Confident79.8Confident92 Ų9286 Ų8649%0.49244%0.44SS..Hα-helixtrans-78.8-20.1177.8-62.4-48.8000112.6D48 I52 T53 K54D48-N50 PolarHBondContact O-N 3.04Å; D48-N50 VanDerWaalsContact O-N 3.13Å; D48-N50 VanDerWaalsContact OD1-CB 3.32Å; D48-N50 WeakPolarHBondContact OD1-CB 3.41Å; D48-N50 PolarHBondContact OD1-N 3.42Å; N50-I52 PolarHBondContact O-N 3.02Å; N50-T53 WeakPolarHBondContact CA-OG1 3.43Å; N50-T53 PolarHBondContact O-N 3.29Å; N50-T53 PolarHBondContact O-OG1 3.38Å; N50-K54 WeakPolarHBondContact O-CB 3.41Å; N50-K54 VanDerWaalsContact O-CG 3.25Å; N50-K54 WeakPolarHBondContact O-CG 3.21Å; N50-K54 PolarHBondContact O-N 3.5Å
51A73.6Confident79.5Confident45 Ų4586.3 Ų86.337%0.37244%0.442SS..Hα-helixtrans-59.5-30.3176.700000111.8V44 D48V44-A51 HydrophobicContact CG1-CB 4.01Å; D48-A51 HydrophobicContact CB-CB 4.08Å; D48-A51 VanDerWaalsContact O-CB 3.27Å; D48-A51 WeakPolarHBondContact O-CB 3.36Å; D48-A51 PolarHBondContact O-N 3.21Å; D48-A51 PolarHBondContact OD1-N 3.35Å
52I69.9Low79.4Confident21 Ų2188 Ų8811%0.10846%0.455CS..Hα-helixtrans-80.5-34.7-179.8-51.7-168.3000111.5Y41 V44 Y45 N50Y41-I52 HydrophobicContact CD2-CD1 4.17Å; Y41-I52 HydrophobicContact CE2-CD1 3.58Å; Y41-I52 HydrophobicContact CE2-CG2 4.36Å; V44-I52 HydrophobicContact CG1-CG1 4.36Å; Y45-I52 HydrophobicContact CD2-CD1 3.78Å; Y45-I52 HydrophobicContact CG-CD1 4.16Å; N50-I52 PolarHBondContact O-N 3.02Å
53T71.4Confident79Confident42 Ų4288.9 Ų88.926%0.25846%0.464SS..Hα-helixtrans-88.5-14.7-17758.20000113.4N50 N55 N59 L63N50-T53 WeakPolarHBondContact CA-OG1 3.43Å; N50-T53 PolarHBondContact O-N 3.29Å; N50-T53 PolarHBondContact O-OG1 3.38Å; T53-N55 VanDerWaalsContact C-N 3.27Å; T53-N55 PolarHBondContact O-N 3.19Å; T53-N59 WeakPolarHBondContact O-CB 3.49Å; T53-N59 VanDerWaalsContact O-CG 3.32Å; T53-N59 PolarHBondContact O-ND2 3.21Å; T53-L63 HydrophobicContact CG2-CD1 3.9Å
54K71.7Confident79Confident154 Ų15491.5 Ų91.567%0.6747%0.468SS*.SBendtrans-68-21.9176.1-84.4174.2-178.6175.70114.1N50 P56N50-K54 WeakPolarHBondContact O-CB 3.41Å; N50-K54 VanDerWaalsContact O-CG 3.25Å; N50-K54 WeakPolarHBondContact O-CG 3.21Å; N50-K54 PolarHBondContact O-N 3.5Å; K54-P56 WeakPolarHBondContact O-CD 3.16Å
55N69.5Low79.1Confident66 Ų6693.5 Ų93.535%0.35347%0.469SS..SBendtrans-77.3119.3177.4178.9-36.2000109.7T53 E57 L58 N59T53-N55 VanDerWaalsContact C-N 3.27Å; T53-N55 PolarHBondContact O-N 3.19Å; N55-E57 VanDerWaalsContact C-N 3.25Å; N55-E57 PolarHBondContact O-N 3.36Å; N55-E57 PolarHBondContact OD1-N 3.11Å; N55-L58 HydrophobicContact CB-CB 3.93Å; N55-L58 HydrophobicContact CB-CD1 3.86Å; N55-L58 HydrophobicContact CB-CG 4.09Å; N55-L58 PolarHBondContact O-N 2.9Å; N55-L58 VanDerWaalsContact O-N 3.11Å; N55-L58 PolarHBondContact OD1-N 3.28Å; N55-N59 WeakPolarHBondContact O-CB 3.49Å; N55-N59 PolarHBondContact O-N 3.33Å
56P71.8Confident78.9Confident100 Ų10091.3 Ų91.365%0.64946%0.462SS*.THydrogen-bonded Turntrans-66.7-23.4-171.126-34.4000113.8K54K54-P56 WeakPolarHBondContact O-CD 3.16Å
57E73.1Confident79Confident148 Ų14885.4 Ų85.469%0.69244%0.436SS*.THydrogen-bonded Turntrans-79-39.7173.9-61.6-165.7161.500111.3N55N55-E57 VanDerWaalsContact C-N 3.25Å; N55-E57 PolarHBondContact O-N 3.36Å; N55-E57 PolarHBondContact OD1-N 3.11Å
58L68Low79Confident67 Ų6783.6 Ų83.635%0.35143%0.427SS..G310 helixtrans-72-34.7180-72.7-179.7000112N55 K60 L61 M66N55-L58 HydrophobicContact CB-CB 3.93Å; N55-L58 HydrophobicContact CB-CD1 3.86Å; N55-L58 HydrophobicContact CB-CG 4.09Å; N55-L58 PolarHBondContact O-N 2.9Å; N55-L58 VanDerWaalsContact O-N 3.11Å; N55-L58 PolarHBondContact OD1-N 3.28Å; L58-K60 PolarHBondContact O-N 3.4Å; L58-K60 VanDerWaalsContact O-N 3.08Å; L58-L61 PolarHBondContact O-N 3.38Å; L58-M66 VanDerWaalsContact C-CE 3.47Å; L58-M66 HydrophobicContact CB-CE 3.42Å; L58-M66 VanDerWaalsContact CB-CE 3.42Å; L58-M66 HydrophobicContact CD2-CE 3.31Å; L58-M66 HydrophobicContact CD2-SD 3.82Å; L58-M66 HydrophobicContact CG-CE 3.89Å; L58-M66 WeakPolarHBondContact O-CE 3.39Å
59N74.3Confident79.2Confident105 Ų10583 Ų8356%0.56142%0.423SS*.G310 helixtrans-66.3-12.7179.7-155.89.8000113.8T53 N55 L61T53-N59 WeakPolarHBondContact O-CB 3.49Å; T53-N59 VanDerWaalsContact O-CG 3.32Å; T53-N59 PolarHBondContact O-ND2 3.21Å; N55-N59 WeakPolarHBondContact O-CB 3.49Å; N55-N59 PolarHBondContact O-N 3.33Å; N59-L61 VanDerWaalsContact C-N 3.3Å
60K82.4Confident79.5Confident175 Ų17582.7 Ų82.776%0.76142%0.417SS*.G310 helixtrans-76.6-19.1174.5-64.1176.8-175.4175.30112.9L58L58-K60 PolarHBondContact O-N 3.4Å; L58-K60 VanDerWaalsContact O-N 3.08Å
61L82.3Confident80.1Confident77 Ų7779.3 Ų79.340%0.40340%0.4SS..SBendtrans-98.8142.4-178.8-66.1167.9000109.5L58 N59 Y65 M66L58-L61 PolarHBondContact O-N 3.38Å; N59-L61 VanDerWaalsContact C-N 3.3Å; L61-Y65 HydrophobicContact CB-CD1 4.25Å; L61-Y65 HydrophobicContact CD1-CD1 4.02Å; L61-Y65 HydrophobicContact CD1-CE1 3.96Å; L61-Y65 HydrophobicContact CD2-CD1 4.36Å; L61-Y65 HydrophobicContact CD2-CE1 4.45Å; L61-Y65 HydrophobicContact CG-CD1 4.46Å; L61-M66 HydrophobicContact CB-CE 3.74Å; L61-M66 HydrophobicContact CD1-CE 3.96Å; L61-M66 HydrophobicContact CG-CE 4.42Å
62P85.7Confident81Confident59 Ų5980.9 Ų80.938%0.38340%0.401SS..  trans-65143.9-179.326.9-33.3000110.8Y64 Y65 M66P62-Y64 HydrophobicContact CB-CD1 3.64Å; P62-Y64 HydrophobicContact CB-CE1 3.4Å; P62-Y64 VanDerWaalsContact CB-CE1 3.4Å; P62-Y64 HydrophobicContact CG-CD1 4.01Å; P62-Y64 HydrophobicContact CG-CE1 3.39Å; P62-Y64 PolarHBondContact O-N 2.75Å; P62-Y64 VanDerWaalsContact O-N 3.14Å; P62-Y65 WeakPolarHBondContact O-CA 3.08Å; P62-Y65 VanDerWaalsContact O-CB 3.28Å; P62-Y65 WeakPolarHBondContact O-CB 3.46Å; P62-Y65 PolarHBondContact O-N 3.43Å; P62-M66 PolarHBondContact O-N 2.84Å
63L84.4Confident82Confident75 Ų7580 Ų8039%0.39340%0.397SS..Hα-helixtrans-54.9-39-173.9-160.388.2000112.8Y45 T53 Y65 M66 H67Y45-L63 HydrophobicContact CE2-CD2 4.36Å; T53-L63 HydrophobicContact CG2-CD1 3.9Å; L63-Y65 PolarHBondContact O-N 3.02Å; L63-M66 WeakPolarHBondContact O-CB 3.5Å; L63-M66 PolarHBondContact O-N 3.5Å; L63-M66 VanDerWaalsContact O-N 3.11Å; L63-H67 WeakPolarHBondContact CD2-NE2 3.24Å; L63-H67 WeakPolarHBondContact CG-NE2 3.42Å; L63-H67 PolarHBondContact O-CD2 3.36Å; L63-H67 VanDerWaalsContact O-CD2 3.32Å; L63-H67 PolarHBondContact O-N 3.14Å
64Y87.6Confident82.9Confident162 Ų16279.6 Ų79.664%0.63539%0.393SS*.Hα-helixtrans-60.8-33.6177.678.7-96.9000112.4P62 H67 L68P62-Y64 HydrophobicContact CB-CD1 3.64Å; P62-Y64 HydrophobicContact CB-CE1 3.4Å; P62-Y64 VanDerWaalsContact CB-CE1 3.4Å; P62-Y64 HydrophobicContact CG-CD1 4.01Å; P62-Y64 HydrophobicContact CG-CE1 3.39Å; P62-Y64 PolarHBondContact O-N 2.75Å; P62-Y64 VanDerWaalsContact O-N 3.14Å; Y64-H67 PolarHBondContact O-N 3.32Å; Y64-L68 VanDerWaalsContact O-CB 3.24Å; Y64-L68 WeakPolarHBondContact O-CB 3.28Å; Y64-L68 PolarHBondContact O-N 3.32Å
65Y88.1Confident83.9Confident101 Ų10177 Ų7740%0.39639%0.385SS..Hα-helixtrans-67.3-39.1177.6-179-91.6000110.7L61 P62 L63 L68 I69L61-Y65 HydrophobicContact CB-CD1 4.25Å; L61-Y65 HydrophobicContact CD1-CD1 4.02Å; L61-Y65 HydrophobicContact CD1-CE1 3.96Å; L61-Y65 HydrophobicContact CD2-CD1 4.36Å; L61-Y65 HydrophobicContact CD2-CE1 4.45Å; L61-Y65 HydrophobicContact CG-CD1 4.46Å; P62-Y65 WeakPolarHBondContact O-CA 3.08Å; P62-Y65 VanDerWaalsContact O-CB 3.28Å; P62-Y65 WeakPolarHBondContact O-CB 3.46Å; P62-Y65 PolarHBondContact O-N 3.43Å; L63-Y65 PolarHBondContact O-N 3.02Å; Y65-L68 PolarHBondContact O-N 2.98Å; Y65-I69 HydrophobicContact CE1-CD1 4.2Å; Y65-I69 WeakPolarHBondContact O-CB 3.35Å; Y65-I69 WeakPolarHBondContact O-CG2 3.45Å; Y65-I69 PolarHBondContact O-N 3.45Å
66M84.1Confident85Confident12 Ų1276.9 Ų76.96%0.05938%0.383CS..Hα-helixtrans-63.7-43.4174.5-63.1-61.2-168.400112.6Y41 L58 L61 P62 L63 L68 I69 N70Y41-M66 VanDerWaalsContact OH-C 3.31Å; Y41-M66 WeakPolarHBondContact OH-CB 2.97Å; Y41-M66 PolarHBondContact OH-O 2.74Å; L58-M66 VanDerWaalsContact C-CE 3.47Å; L58-M66 HydrophobicContact CB-CE 3.42Å; L58-M66 VanDerWaalsContact CB-CE 3.42Å; L58-M66 HydrophobicContact CD2-CE 3.31Å; L58-M66 HydrophobicContact CD2-SD 3.82Å; L58-M66 HydrophobicContact CG-CE 3.89Å; L58-M66 WeakPolarHBondContact O-CE 3.39Å; L61-M66 HydrophobicContact CB-CE 3.74Å; L61-M66 HydrophobicContact CD1-CE 3.96Å; L61-M66 HydrophobicContact CG-CE 4.42Å; P62-M66 PolarHBondContact O-N 2.84Å; L63-M66 WeakPolarHBondContact O-CB 3.5Å; L63-M66 PolarHBondContact O-N 3.5Å; L63-M66 VanDerWaalsContact O-N 3.11Å; M66-L68 VanDerWaalsContact C-N 3.33Å; M66-I69 WeakPolarHBondContact O-CG2 3.42Å; M66-N70 PolarHBondContact O-N 3.42Å; M66-N70 PolarHBondContact O-ND2 3.4Å
67H89.6Confident86Confident31 Ų3172.3 Ų72.314%0.14435%0.353CS..Hα-helixtrans-63.8-43.9176.6-64.1-38.2000110.9Y41 W42 Y45 L63 Y64 N70 S71Y41-H67 AromaticContact CE1-ND1 3.56Å; Y41-H67 AromaticContact CZ-ND1 3.57Å; Y41-H67 PolarHBondContact OH-CE1 3.03Å; Y41-H67 PolarHBondContact OH-N 2.9Å; Y41-H67 PolarHBondContact OH-ND1 3.44Å; W42-H67 HydrophobicContact CH2-CB 4.21Å; W42-H67 AromaticContact CH2-ND1 3.98Å; W42-H67 HydrophobicContact CZ2-CB 4.25Å; Y45-H67 AromaticContact CD2-CE1 3.72Å; Y45-H67 AromaticContact CE1-CE1 3.85Å; Y45-H67 AromaticContact CE2-CE1 3.43Å; Y45-H67 VanDerWaalsContact CE2-CE1 3.43Å; Y45-H67 WeakPolarHBondContact CE2-CE1 3.48Å; Y45-H67 AromaticContact CE2-NE2 3.88Å; Y45-H67 AromaticContact CZ-CE1 3.5Å; Y45-H67 VanDerWaalsContact CZ-CE1 3.5Å; Y45-H67 AromaticContact CZ-NE2 3.67Å; L63-H67 WeakPolarHBondContact CD2-NE2 3.24Å; L63-H67 WeakPolarHBondContact CG-NE2 3.42Å; L63-H67 PolarHBondContact O-CD2 3.36Å; L63-H67 VanDerWaalsContact O-CD2 3.32Å; L63-H67 PolarHBondContact O-N 3.14Å; Y64-H67 PolarHBondContact O-N 3.32Å; H67-N70 PolarHBondContact O-N 2.86Å; H67-S71 VanDerWaalsContact O-CB 3.23Å; H67-S71 WeakPolarHBondContact O-CB 3.3Å; H67-S71 PolarHBondContact O-N 3.39Å; H67-S71 PolarHBondContact O-OG 2.87Å
68L89.5Confident86.9Confident103 Ų10369.1 Ų69.154%0.53934%0.34SS..Hα-helixtrans-67.7-45.3-176.9-165.5140.7000111.5Y64 Y65 M66 N70 S71 M72Y64-L68 VanDerWaalsContact O-CB 3.24Å; Y64-L68 WeakPolarHBondContact O-CB 3.28Å; Y64-L68 PolarHBondContact O-N 3.32Å; Y65-L68 PolarHBondContact O-N 2.98Å; M66-L68 VanDerWaalsContact C-N 3.33Å; L68-N70 VanDerWaalsContact C-N 3.28Å; L68-N70 PolarHBondContact O-N 3.36Å; L68-S71 PolarHBondContact O-N 3.41Å; L68-S71 VanDerWaalsContact O-N 3.12Å; L68-M72 HydrophobicContact CD2-CB 4.49Å; L68-M72 WeakPolarHBondContact O-CB 3.12Å; L68-M72 PolarHBondContact O-N 2.83Å
69I87.2Confident88.1Confident52 Ų5269.2 Ų69.227%0.26734%0.344SS..Hα-helixtrans-63.1-34.8-179.3-162167.8000112.4M1 Y65 M66M1-I69 WeakPolarHBondContact CE-O 3.29Å; M1-I69 HydrophobicContact CG-CD1 4.07Å; M1-I69 HydrophobicContact CG-CG1 3.69Å; M1-I69 HydrophobicContact SD-CG1 4.48Å; Y65-I69 HydrophobicContact CE1-CD1 4.2Å; Y65-I69 WeakPolarHBondContact O-CB 3.35Å; Y65-I69 WeakPolarHBondContact O-CG2 3.45Å; Y65-I69 PolarHBondContact O-N 3.45Å; M66-I69 WeakPolarHBondContact O-CG2 3.42Å
70N87.3Confident88.9Confident49 Ų4964.5 Ų64.526%0.26232%0.319SS..Hα-helixtrans-82.1-18.4177.6-70.3-69.5000113.4Y41 M66 H67 L68Y41-N70 HydrophobicContact CD1-CB 3.6Å; Y41-N70 HydrophobicContact CD2-CB 3.89Å; Y41-N70 VanDerWaalsContact CD2-CG 3.47Å; Y41-N70 VanDerWaalsContact CD2-ND2 3.33Å; Y41-N70 WeakPolarHBondContact CD2-ND2 3.47Å; Y41-N70 HydrophobicContact CE1-CB 3.99Å; Y41-N70 HydrophobicContact CE2-CB 4.24Å; Y41-N70 WeakPolarHBondContact CE2-ND2 3.46Å; Y41-N70 HydrophobicContact CG-CB 3.55Å; M66-N70 PolarHBondContact O-N 3.42Å; M66-N70 PolarHBondContact O-ND2 3.4Å; H67-N70 PolarHBondContact O-N 2.86Å; L68-N70 VanDerWaalsContact C-N 3.28Å; L68-N70 PolarHBondContact O-N 3.36Å
71S91.7Very high89.3Confident21 Ų2156.2 Ų56.215%0.14728%0.283CS..Hα-helixtrans-98.1-26.7179-54.50000113.8W42 H67 L68 G73 L74 I75W42-S71 WeakPolarHBondContact CZ2-OG 3.41Å; W42-S71 PolarHBondContact NE1-OG 3.4Å; W42-S71 VanDerWaalsContact NE1-OG 3.1Å; H67-S71 VanDerWaalsContact O-CB 3.23Å; H67-S71 WeakPolarHBondContact O-CB 3.3Å; H67-S71 PolarHBondContact O-N 3.39Å; H67-S71 PolarHBondContact O-OG 2.87Å; L68-S71 PolarHBondContact O-N 3.41Å; L68-S71 VanDerWaalsContact O-N 3.12Å; S71-G73 VanDerWaalsContact C-N 3.28Å; S71-G73 PolarHBondContact O-N 3.38Å; S71-L74 WeakPolarHBondContact O-CB 3.31Å; S71-L74 PolarHBondContact O-N 2.76Å; S71-I75 PolarHBondContact O-N 3.24Å
72M91.2Very high89.7Confident79 Ų7956.4 Ų56.439%0.38929%0.287SS..Hα-helixtrans-61.4-36.9-173.5-172.362.7178.300112.4L68 L74 I75 M76L68-M72 HydrophobicContact CD2-CB 4.49Å; L68-M72 WeakPolarHBondContact O-CB 3.12Å; L68-M72 PolarHBondContact O-N 2.83Å; M72-L74 PolarHBondContact O-N 3.3Å; M72-I75 PolarHBondContact O-N 2.86Å; M72-M76 HydrophobicContact CE-CG 3.85Å; M72-M76 HydrophobicContact CE-SD 3.88Å; M72-M76 HydrophobicContact CG-CG 4.22Å; M72-M76 HydrophobicContact CG-SD 4Å; M72-M76 WeakPolarHBondContact O-CG 3.48Å; M72-M76 PolarHBondContact O-N 3.48Å; M72-M76 HydrophobicContact SD-CG 4.41Å
73G91Very high89.8Confident2 Ų259.3 Ų59.32%0.02130%0.299CS..Hα-helixtrans-56.1-40.3175.700000112.3I34 S71 M76 I77I34-G73 WeakPolarHBondContact CD1-O 3.27Å; S71-G73 VanDerWaalsContact C-N 3.28Å; S71-G73 PolarHBondContact O-N 3.38Å; G73-M76 PolarHBondContact O-N 3.4Å; G73-I77 WeakPolarHBondContact O-CB 3.46Å; G73-I77 WeakPolarHBondContact O-CG2 3.49Å; G73-I77 PolarHBondContact O-N 2.75Å
74L91.2Very high90Very high34 Ų3460.8 Ų60.818%0.17830%0.299CS..Hα-helixtrans-66.4-42.7-179.2-174.766.3000111.3I34 L35 F38 S71 M72 I77 I78I34-L74 HydrophobicContact CG2-CB 4.01Å; I34-L74 HydrophobicContact CG2-CD1 4.36Å; I34-L74 VanDerWaalsContact CG2-N 3.28Å; L35-L74 HydrophobicContact CD2-CD1 3.7Å; L35-L74 HydrophobicContact CG-CD1 4.24Å; F38-L74 HydrophobicContact CD1-CD2 4.15Å; F38-L74 HydrophobicContact CD2-CB 4.28Å; F38-L74 HydrophobicContact CD2-CD2 3.98Å; F38-L74 HydrophobicContact CE1-CD2 4.06Å; F38-L74 HydrophobicContact CE2-CD2 3.86Å; F38-L74 HydrophobicContact CG-CD2 4.11Å; F38-L74 HydrophobicContact CZ-CD2 3.91Å; S71-L74 WeakPolarHBondContact O-CB 3.31Å; S71-L74 PolarHBondContact O-N 2.76Å; M72-L74 PolarHBondContact O-N 3.3Å; L74-I77 HydrophobicContact CD1-CG2 4.45Å; L74-I77 WeakPolarHBondContact O-CG2 3.06Å; L74-I78 HydrophobicContact CD1-CD1 4.21Å; L74-I78 HydrophobicContact CG-CD1 4.02Å; L74-I78 WeakPolarHBondContact O-CB 3.35Å; L74-I78 WeakPolarHBondContact O-CD1 3.42Å; L74-I78 VanDerWaalsContact O-CG1 3.22Å; L74-I78 WeakPolarHBondContact O-CG1 3.44Å; L74-I78 PolarHBondContact O-N 3.49Å; L74-I78 VanDerWaalsContact O-N 3.09Å
75I92.6Very high90.1Very high100 Ų10058.8 Ų58.851%0.51329%0.294SS..Hα-helixtrans-63.2-46.6177.4-60.2172.8000109.9S71 M72 I78 T79S71-I75 PolarHBondContact O-N 3.24Å; M72-I75 PolarHBondContact O-N 2.86Å; I75-I78 PolarHBondContact O-N 3.39Å; I75-T79 WeakPolarHBondContact O-CB 3.38Å; I75-T79 PolarHBondContact O-N 2.97Å; I75-T79 PolarHBondContact O-OG1 3.11Å
76M93Very high90Very high63 Ų6354.1 Ų54.131%0.3128%0.276SS..Hα-helixtrans-68.5-39.4-177.4-69.8-174.255.800112.6F4 M8 M72 G73 T79 D80F4-M76 HydrophobicContact CE1-CB 3.65Å; F4-M76 HydrophobicContact CE1-CE 3.52Å; F4-M76 HydrophobicContact CE1-CG 4.2Å; F4-M76 HydrophobicContact CE1-SD 3.61Å; F4-M76 HydrophobicContact CZ-CB 3.4Å; F4-M76 VanDerWaalsContact CZ-CB 3.4Å; F4-M76 HydrophobicContact CZ-CE 3.88Å; F4-M76 HydrophobicContact CZ-CG 4.4Å; F4-M76 HydrophobicContact CZ-SD 4.28Å; M8-M76 HydrophobicContact CE-CE 4.08Å; M8-M76 HydrophobicContact CG-CE 4.25Å; M8-M76 HydrophobicContact SD-CE 4.43Å; M72-M76 HydrophobicContact CE-CG 3.85Å; M72-M76 HydrophobicContact CE-SD 3.88Å; M72-M76 HydrophobicContact CG-CG 4.22Å; M72-M76 HydrophobicContact CG-SD 4Å; M72-M76 WeakPolarHBondContact O-CG 3.48Å; M72-M76 PolarHBondContact O-N 3.48Å; M72-M76 HydrophobicContact SD-CG 4.41Å; G73-M76 PolarHBondContact O-N 3.4Å; M76-T79 WeakPolarHBondContact O-CB 3.16Å; M76-T79 PolarHBondContact O-N 3.4Å; M76-D80 PolarHBondContact O-N 2.84Å
77I92.1Very high90.3Very high3 Ų358.7 Ų58.72%0.01530%0.295CS..Hα-helixtrans-68.4-39.5177.8-159.964.6000111.1F4 Y7 Y27 M30 A31 I34 G73 L74 T79 D80 A81F4-I77 HydrophobicContact CE2-CD1 4.29Å; Y7-I77 HydrophobicContact CD1-CD1 4.44Å; Y7-I77 HydrophobicContact CE1-CD1 3.58Å; Y27-I77 HydrophobicContact CD2-CD1 3.68Å; Y27-I77 HydrophobicContact CD2-CG1 4.06Å; Y27-I77 HydrophobicContact CE2-CD1 3.77Å; Y27-I77 HydrophobicContact CE2-CG1 3.62Å; Y27-I77 WeakPolarHBondContact CE2-O 3.26Å; M30-I77 HydrophobicContact CB-CD1 4.15Å; M30-I77 HydrophobicContact CG-CD1 4.12Å; A31-I77 HydrophobicContact CB-CG1 3.86Å; I34-I77 HydrophobicContact CD1-CB 3.87Å; I34-I77 HydrophobicContact CD1-CG1 4.31Å; I34-I77 HydrophobicContact CD1-CG2 4.19Å; I34-I77 HydrophobicContact CG2-CG2 4.21Å; G73-I77 WeakPolarHBondContact O-CB 3.46Å; G73-I77 WeakPolarHBondContact O-CG2 3.49Å; G73-I77 PolarHBondContact O-N 2.75Å; L74-I77 HydrophobicContact CD1-CG2 4.45Å; L74-I77 WeakPolarHBondContact O-CG2 3.06Å; I77-T79 VanDerWaalsContact C-N 3.28Å; I77-T79 PolarHBondContact O-N 3.45Å; I77-D80 PolarHBondContact O-N 2.8Å; I77-A81 PolarHBondContact O-N 2.97Å
78I92Very high90.3Very high82 Ų8263.9 Ų63.942%0.42131%0.314SS..Hα-helixtrans-61.1-41.6173.1-68.6168000110.4L74 I75 A81 V82L74-I78 HydrophobicContact CD1-CD1 4.21Å; L74-I78 HydrophobicContact CG-CD1 4.02Å; L74-I78 WeakPolarHBondContact O-CB 3.35Å; L74-I78 WeakPolarHBondContact O-CD1 3.42Å; L74-I78 VanDerWaalsContact O-CG1 3.22Å; L74-I78 WeakPolarHBondContact O-CG1 3.44Å; L74-I78 PolarHBondContact O-N 3.49Å; L74-I78 VanDerWaalsContact O-N 3.09Å; I75-I78 PolarHBondContact O-N 3.39Å; I78-A81 WeakPolarHBondContact O-CB 3.4Å; I78-A81 PolarHBondContact O-N 3.18Å; I78-V82 HydrophobicContact CG2-CG2 4.5Å; I78-V82 WeakPolarHBondContact O-CG2 3.48Å; I78-V82 PolarHBondContact O-N 3.31Å
79T92.3Very high90.3Very high69 Ų6959.9 Ų59.942%0.42329%0.292SS..Hα-helixtrans-62.6-45.7177.5-55.80000111.5I75 M76 I77 A81 V82 L83I75-T79 WeakPolarHBondContact O-CB 3.38Å; I75-T79 PolarHBondContact O-N 2.97Å; I75-T79 PolarHBondContact O-OG1 3.11Å; M76-T79 WeakPolarHBondContact O-CB 3.16Å; M76-T79 PolarHBondContact O-N 3.4Å; I77-T79 VanDerWaalsContact C-N 3.28Å; I77-T79 PolarHBondContact O-N 3.45Å; T79-A81 VanDerWaalsContact C-N 3.29Å; T79-A81 PolarHBondContact O-N 3.15Å; T79-V82 PolarHBondContact O-N 3.07Å; T79-L83 HydrophobicContact CG2-CD1 3.85Å; T79-L83 HydrophobicContact CG2-CG 4.33Å; T79-L83 WeakPolarHBondContact O-CB 3.26Å; T79-L83 WeakPolarHBondContact O-CG 3.21Å; T79-L83 PolarHBondContact O-N 2.9Å
80D91.1Very high90.3Very high6 Ų661.1 Ų61.13%0.03230%0.304CS..Hα-helixtrans-57.4-43.5174.4-173.678.5000111.2Y7 Q15 H23 M76 I77 V82 L83 W84Y7-D80 PolarHBondContact OH-OD2 2.72Å; Q15-D80 PolarHBondContact NE2-OD1 2.97Å; H23-D80 IonicContact CE1-OD2 2.9Å; H23-D80 PolarHBondContact CE1-OD2 2.68Å; H23-D80 VanDerWaalsContact CE1-OD2 3.29Å; H23-D80 IonicContact NE2-OD1 3.79Å; H23-D80 IonicContact NE2-OD2 2.62Å; H23-D80 PolarHBondContact NE2-OD2 3.28Å; M76-D80 PolarHBondContact O-N 2.84Å; I77-D80 PolarHBondContact O-N 2.8Å; D80-V82 PolarHBondContact O-N 3.44Å; D80-L83 PolarHBondContact O-N 3.47Å; D80-W84 WeakPolarHBondContact O-CB 3.18Å; D80-W84 PolarHBondContact O-N 2.94Å
81A91Very high90.4Very high1 Ų162 Ų621%0.00831%0.305CS..Hα-helixtrans-59.7-44.4177.600000112.6Y27 I77 I78 T79 K85 P86 L157Y27-A81 HydrophobicContact CD2-CB 4.49Å; Y27-A81 HydrophobicContact CE2-CB 3.44Å; Y27-A81 VanDerWaalsContact CE2-CB 3.44Å; Y27-A81 VanDerWaalsContact CZ-CB 3.47Å; Y27-A81 WeakPolarHBondContact OH-CB 3.34Å; I77-A81 PolarHBondContact O-N 2.97Å; I78-A81 WeakPolarHBondContact O-CB 3.4Å; I78-A81 PolarHBondContact O-N 3.18Å; T79-A81 VanDerWaalsContact C-N 3.29Å; T79-A81 PolarHBondContact O-N 3.15Å; A81-K85 VanDerWaalsContact O-CA 3.28Å; A81-K85 WeakPolarHBondContact O-CA 3.39Å; A81-K85 PolarHBondContact O-N 3.42Å; A81-P86 VanDerWaalsContact O-CD 3.31Å; A81-P86 WeakPolarHBondContact O-CD 3.3Å; A81-L157 HydrophobicContact CB-CD1 3.54Å
82V90.5Very high90.3Very high80 Ų8066.6 Ų66.649%0.48533%0.327SS..Hα-helixtrans-68.8-43.4-178.4170.70000111I78 T79 D80 L157I78-V82 HydrophobicContact CG2-CG2 4.5Å; I78-V82 WeakPolarHBondContact O-CG2 3.48Å; I78-V82 PolarHBondContact O-N 3.31Å; T79-V82 PolarHBondContact O-N 3.07Å; D80-V82 PolarHBondContact O-N 3.44Å; V82-L157 HydrophobicContact CG2-CD2 4.36Å
83L89.7Confident90.1Very high121 Ų12167.2 Ų67.263%0.63433%0.331SS*.Hα-helixtrans-69.3-46.5-178.7-69.4174.1000111.8T79 D80T79-L83 HydrophobicContact CG2-CD1 3.85Å; T79-L83 HydrophobicContact CG2-CG 4.33Å; T79-L83 WeakPolarHBondContact O-CB 3.26Å; T79-L83 WeakPolarHBondContact O-CG 3.21Å; T79-L83 PolarHBondContact O-N 2.9Å; D80-L83 PolarHBondContact O-N 3.47Å
84W88.4Confident90Very high106 Ų10667.2 Ų67.240%0.40233%0.331SS..Hα-helixtrans-99.9-12.5-169.1-63.8106.3000114.7Q15 D80Q15-W84 HydrophobicContact CB-CE3 4.37Å; Q15-W84 HydrophobicContact CB-CH2 4.26Å; Q15-W84 HydrophobicContact CB-CZ3 4.16Å; Q15-W84 VanDerWaalsContact CD-CD2 3.49Å; Q15-W84 VanDerWaalsContact CD-CE2 3.44Å; Q15-W84 HydrophobicContact CG-CD2 4.1Å; Q15-W84 HydrophobicContact CG-CE3 4.12Å; Q15-W84 HydrophobicContact CG-CZ3 4.42Å; D80-W84 WeakPolarHBondContact O-CB 3.18Å; D80-W84 PolarHBondContact O-N 2.94Å
85K88.2Confident89.9Confident120 Ų12068.4 Ų68.452%0.52233%0.333SS..  trans46.666177.6-61.6-177.1-178.3178.70111.7A81 K87A81-K85 VanDerWaalsContact O-CA 3.28Å; A81-K85 WeakPolarHBondContact O-CA 3.39Å; A81-K85 PolarHBondContact O-N 3.42Å; K85-K87 PolarHBondContact O-N 3.49Å
86P87.5Confident89.8Confident3 Ų368.1 Ų68.12%0.01933%0.332CS..PPolyproline II helixtrans-50.2142.2-179.619-30.9000110.9Y27 A81 I154 N158Y27-P86 HydrophobicContact CD1-CB 4.24Å; Y27-P86 HydrophobicContact CD1-CG 3.88Å; Y27-P86 HydrophobicContact CD2-CG 4.34Å; Y27-P86 HydrophobicContact CE1-CG 4.11Å; Y27-P86 HydrophobicContact CG-CB 4.29Å; Y27-P86 HydrophobicContact CG-CG 4.04Å; A81-P86 VanDerWaalsContact O-CD 3.31Å; A81-P86 WeakPolarHBondContact O-CD 3.3Å; P86-I154 HydrophobicContact CB-CG1 4.44Å; P86-I154 HydrophobicContact CG-CG1 4.04Å; P86-I154 WeakPolarHBondContact O-CG2 3.31Å; P86-N158 PolarHBondContact O-ND2 2.95Å
87K90.1Very high89.5Confident108 Ų10867.9 Ų67.947%0.4734%0.335SS..PPolyproline II helixtrans-73.8155.1-179.4-67-175.8179.1-178.80110.1S24 K85 I89 I154S24-K87 WeakPolarHBondContact CB-O 3.37Å; S24-K87 PolarHBondContact OG-N 2.95Å; K85-K87 PolarHBondContact O-N 3.49Å; K87-I89 WeakPolarHBondContact O-CG1 3.5Å; K87-I89 PolarHBondContact O-N 3.25Å; K87-I154 WeakPolarHBondContact O-CG2 3.4Å
88R89.4Confident89.4Confident140 Ų14067.9 Ų67.953%0.52834%0.335SS..PPolyproline II helixtrans-61.5136.6173.2-69-177.2179.6179.40.4110.3I154 R155R88-I154 HydrophobicContact CG-CG2 4.39Å; R88-R155 HydrophobicContact CG-CG 4.42Å
89I88.5Confident89.3Confident18 Ų1865 Ų659%0.09232%0.322CS..  trans-126.5140.5-177.8-27.4175.5000107.6S24 C25 T28 K87 F91 I93 I154S24-I89 VanDerWaalsContact CB-CD1 3.45Å; S24-I89 WeakPolarHBondContact O-CD1 3.42Å; C25-I89 VanDerWaalsContact N-CD1 3.35Å; C25-I89 VanDerWaalsContact SG-CG2 3.59Å; T28-I89 WeakPolarHBondContact OG1-CD1 3.48Å; K87-I89 WeakPolarHBondContact O-CG1 3.5Å; K87-I89 PolarHBondContact O-N 3.25Å; I89-F91 PolarHBondContact O-N 2.94Å; I89-I93 HydrophobicContact CG2-CB 4.37Å; I89-I93 HydrophobicContact CG2-CG2 4.3Å; I89-I154 HydrophobicContact CD1-CD1 4.19Å; I89-I154 HydrophobicContact CG1-CD1 4.44Å
90P88.7Confident89.2Confident79 Ų7966.4 Ų66.451%0.51333%0.326SS..  trans-58131.8168.8-24.434.2000110.7I92 I93 S94P90-I92 PolarHBondContact O-N 3.48Å; P90-I93 HydrophobicContact CB-CB 4.49Å; P90-I93 HydrophobicContact CB-CD1 4.07Å; P90-I93 HydrophobicContact CB-CG1 4.09Å; P90-I93 HydrophobicContact CG-CD1 3.78Å; P90-I93 HydrophobicContact CG-CG1 4.35Å; P90-I93 PolarHBondContact O-N 2.95Å; P90-S94 PolarHBondContact O-N 2.78Å; P90-S94 PolarHBondContact O-OG 3.38Å
91F88.8Confident88.9Confident67 Ų6768.7 Ų68.729%0.29434%0.336SS..Hα-helixtrans-51.9-43-178.4174.9-95.7000112.1I89 I93 S94 Y95 T144 N147 A148I89-F91 PolarHBondContact O-N 2.94Å; F91-I93 VanDerWaalsContact C-N 3.31Å; F91-I93 PolarHBondContact O-N 3.47Å; F91-S94 PolarHBondContact O-N 3.46Å; F91-S94 PolarHBondContact O-OG 3.48Å; F91-Y95 HydrophobicContact CE1-CD1 4.28Å; F91-Y95 HydrophobicContact CE1-CD2 4.09Å; F91-Y95 AromaticContact CE1-CG 3.86Å; F91-Y95 HydrophobicContact CE1-CG 3.86Å; F91-Y95 AromaticContact CZ-CD2 3.87Å; F91-Y95 HydrophobicContact CZ-CD2 3.87Å; F91-Y95 HydrophobicContact CZ-CE2 4.41Å; F91-Y95 HydrophobicContact CZ-CG 4.11Å; F91-Y95 WeakPolarHBondContact O-CB 2.88Å; F91-Y95 PolarHBondContact O-N 2.84Å; F91-T144 HydrophobicContact CZ-CG2 4.16Å; F91-N147 HydrophobicContact CE2-CB 4.15Å; F91-N147 VanDerWaalsContact CE2-ND2 3.26Å; F91-N147 WeakPolarHBondContact CE2-ND2 3.31Å; F91-A148 HydrophobicContact CE2-CB 3.93Å
92I89.3Confident88.7Confident117 Ų11768.7 Ų68.760%0.634%0.335SS*.Hα-helixtrans-58.8-41.5-179.6-66.2164.6000111.5P90 S94 Y95 I96P90-I92 PolarHBondContact O-N 3.48Å; I92-S94 PolarHBondContact O-N 3.24Å; I92-Y95 PolarHBondContact O-N 3.36Å; I92-I96 HydrophobicContact CG2-CD1 3.97Å; I92-I96 HydrophobicContact CG2-CG1 4.49Å; I92-I96 WeakPolarHBondContact O-CG1 3.45Å; I92-I96 PolarHBondContact O-N 2.81Å; I92-I96 VanDerWaalsContact O-N 3.1Å
93I87.5Confident88.6Confident93 Ų9368.1 Ų68.148%0.47733%0.332SS..Hα-helixtrans-66.7-39.3-178.6-64.5-179.4000110.9I89 P90 F91 P97I89-I93 HydrophobicContact CG2-CB 4.37Å; I89-I93 HydrophobicContact CG2-CG2 4.3Å; P90-I93 HydrophobicContact CB-CB 4.49Å; P90-I93 HydrophobicContact CB-CD1 4.07Å; P90-I93 HydrophobicContact CB-CG1 4.09Å; P90-I93 HydrophobicContact CG-CD1 3.78Å; P90-I93 HydrophobicContact CG-CG1 4.35Å; P90-I93 PolarHBondContact O-N 2.95Å; F91-I93 VanDerWaalsContact C-N 3.31Å; F91-I93 PolarHBondContact O-N 3.47Å; I93-P97 WeakPolarHBondContact O-CD 3.45Å
94S87.9Confident88.6Confident1 Ų167.4 Ų67.41%0.00733%0.328CS..Hα-helixtrans-75.4-28.4173.442.60000113.6P90 F91 I92 P97 C98P90-S94 PolarHBondContact O-N 2.78Å; P90-S94 PolarHBondContact O-OG 3.38Å; F91-S94 PolarHBondContact O-N 3.46Å; F91-S94 PolarHBondContact O-OG 3.48Å; I92-S94 PolarHBondContact O-N 3.24Å; S94-P97 WeakPolarHBondContact O-CD 3.44Å; S94-C98 PolarHBondContact O-SG 3.14Å
95Y89Confident88.3Confident60 Ų6066.7 Ų66.724%0.23533%0.326CS..Hα-helixtrans-72.5-44.7-175.9-172.1-122000111.5F91 I92 C98 C99 T144 N147F91-Y95 HydrophobicContact CE1-CD1 4.28Å; F91-Y95 HydrophobicContact CE1-CD2 4.09Å; F91-Y95 AromaticContact CE1-CG 3.86Å; F91-Y95 HydrophobicContact CE1-CG 3.86Å; F91-Y95 AromaticContact CZ-CD2 3.87Å; F91-Y95 HydrophobicContact CZ-CD2 3.87Å; F91-Y95 HydrophobicContact CZ-CE2 4.41Å; F91-Y95 HydrophobicContact CZ-CG 4.11Å; F91-Y95 WeakPolarHBondContact O-CB 2.88Å; F91-Y95 PolarHBondContact O-N 2.84Å; I92-Y95 PolarHBondContact O-N 3.36Å; Y95-C98 CarbonylContact O-C 3.51Å; Y95-C98 WeakPolarHBondContact O-CA 3.32Å; Y95-C98 VanDerWaalsContact O-CB 3.31Å; Y95-C98 WeakPolarHBondContact O-CB 3.22Å; Y95-C98 PolarHBondContact O-N 3.44Å; Y95-C99 WeakPolarHBondContact CD1-SG 3.27Å; Y95-C99 WeakPolarHBondContact CE1-SG 3.48Å; Y95-C99 PolarHBondContact O-N 3.02Å; Y95-C99 PolarHBondContact O-SG 2.92Å; Y95-T144 HydrophobicContact CE2-CG2 4.22Å; Y95-T144 WeakPolarHBondContact CE2-OG1 3.24Å; Y95-T144 PolarHBondContact OH-OG1 3.25Å; Y95-N147 VanDerWaalsContact CA-ND2 3.3Å; Y95-N147 WeakPolarHBondContact CA-ND2 3.43Å; Y95-N147 WeakPolarHBondContact CB-ND2 3.16Å; Y95-N147 PolarHBondContact N-ND2 3.17Å
96I90.5Very high88.2Confident94 Ų9461.9 Ų61.948%0.48231%0.306SS..Hα-helixtrans-53.9-49.8-177.7-67.9164.3000112.9I92 C98 C99 I100I92-I96 HydrophobicContact CG2-CD1 3.97Å; I92-I96 HydrophobicContact CG2-CG1 4.49Å; I92-I96 WeakPolarHBondContact O-CG1 3.45Å; I92-I96 PolarHBondContact O-N 2.81Å; I92-I96 VanDerWaalsContact O-N 3.1Å; I96-C98 VanDerWaalsContact C-N 3.31Å; I96-C98 PolarHBondContact O-N 2.88Å; I96-C99 WeakPolarHBondContact O-CB 3.33Å; I96-C99 PolarHBondContact O-N 3.25Å; I96-I100 HydrophobicContact CG2-CD1 4Å; I96-I100 WeakPolarHBondContact O-CG1 3.38Å; I96-I100 PolarHBondContact O-N 2.99Å
97P88Confident88.1Confident58 Ų5865.4 Ų65.438%0.37733%0.327SS..Hα-helixtrans-60.3-38.4175.2-23.932.9000113.3F29 I93 S94 I100 F101F29-P97 HydrophobicContact CD2-CB 4.11Å; I93-P97 WeakPolarHBondContact O-CD 3.45Å; S94-P97 WeakPolarHBondContact O-CD 3.44Å; P97-I100 PolarHBondContact O-N 3.18Å; P97-F101 WeakPolarHBondContact O-CB 3.29Å; P97-F101 PolarHBondContact O-N 2.99Å
98C88.9Confident87.9Confident3 Ų366.3 Ų66.32%0.0233%0.328CS..Hα-helixtrans-62-45.8175.2-62.40000110.4S94 Y95 I96 I100 F101 V102 I143S94-C98 PolarHBondContact O-SG 3.14Å; Y95-C98 CarbonylContact O-C 3.51Å; Y95-C98 WeakPolarHBondContact O-CA 3.32Å; Y95-C98 VanDerWaalsContact O-CB 3.31Å; Y95-C98 WeakPolarHBondContact O-CB 3.22Å; Y95-C98 PolarHBondContact O-N 3.44Å; I96-C98 VanDerWaalsContact C-N 3.31Å; I96-C98 PolarHBondContact O-N 2.88Å; C98-I100 VanDerWaalsContact C-N 3.35Å; C98-I100 PolarHBondContact O-N 3.17Å; C98-F101 PolarHBondContact O-N 2.97Å; C98-V102 VanDerWaalsContact O-CG2 3.24Å; C98-V102 WeakPolarHBondContact O-CG2 3.45Å; C98-V102 PolarHBondContact O-N 2.92Å; C98-I143 HydrophobicContact CB-CG2 3.89Å
99C89.3Confident87.4Confident21 Ų2161.4 Ų61.414%0.14231%0.312CS..Hα-helixtrans-57.7-45.7177.8-59.20000112.7Y95 I96 V102 T103 W140Y95-C99 WeakPolarHBondContact CD1-SG 3.27Å; Y95-C99 WeakPolarHBondContact CE1-SG 3.48Å; Y95-C99 PolarHBondContact O-N 3.02Å; Y95-C99 PolarHBondContact O-SG 2.92Å; I96-C99 WeakPolarHBondContact O-CB 3.33Å; I96-C99 PolarHBondContact O-N 3.25Å; C99-V102 PolarHBondContact O-N 2.86Å; C99-T103 PolarHBondContact O-N 3.11Å; C99-T103 PolarHBondContact O-OG1 3.36Å; C99-W140 VanDerWaalsContact CA-CH2 3.44Å; C99-W140 HydrophobicContact CB-CH2 3.53Å; C99-W140 HydrophobicContact CB-CZ3 3.41Å; C99-W140 VanDerWaalsContact CB-CZ3 3.41Å; C99-W140 WeakPolarHBondContact O-CH2 3.35Å; C99-W140 VanDerWaalsContact SG-CZ3 3.56Å
100I90.2Very high86.9Confident99 Ų9961.8 Ų61.851%0.50831%0.314SS..Hα-helixtrans-62.6-48.4178.6-67.7167.6000109.6I96 P97 C98 V102 T103 I104I96-I100 HydrophobicContact CG2-CD1 4Å; I96-I100 WeakPolarHBondContact O-CG1 3.38Å; I96-I100 PolarHBondContact O-N 2.99Å; P97-I100 PolarHBondContact O-N 3.18Å; C98-I100 VanDerWaalsContact C-N 3.35Å; C98-I100 PolarHBondContact O-N 3.17Å; I100-V102 VanDerWaalsContact C-N 3.32Å; I100-V102 PolarHBondContact O-N 3.32Å; I100-T103 PolarHBondContact O-N 3.45Å; I100-I104 HydrophobicContact CG2-CD1 3.82Å; I100-I104 WeakPolarHBondContact O-CG1 3.5Å; I100-I104 PolarHBondContact O-N 3.39Å
101F86.1Confident86.6Confident53 Ų5362.1 Ų62.123%0.23231%0.311CS..Hα-helixtrans-60.8-41.3179.8-176.7-95.2000112.4L3 F29 Y33 P97 C98 I104 Y105L3-F101 HydrophobicContact CD1-CE2 3.85Å; L3-F101 HydrophobicContact CD1-CZ 4.22Å; F29-F101 HydrophobicContact CE2-CB 3.61Å; F29-F101 HydrophobicContact CE2-CD1 4.48Å; F29-F101 HydrophobicContact CE2-CD2 4.38Å; F29-F101 AromaticContact CE2-CG 3.91Å; F29-F101 HydrophobicContact CE2-CG 3.91Å; F29-F101 HydrophobicContact CZ-CB 3.83Å; F29-F101 HydrophobicContact CZ-CD1 4.27Å; F29-F101 AromaticContact CZ-CD2 3.72Å; F29-F101 HydrophobicContact CZ-CD2 3.72Å; F29-F101 HydrophobicContact CZ-CE2 4.35Å; F29-F101 AromaticContact CZ-CG 3.66Å; F29-F101 HydrophobicContact CZ-CG 3.66Å; Y33-F101 AromaticContact CD2-CE1 3.64Å; Y33-F101 HydrophobicContact CD2-CE1 3.64Å; Y33-F101 AromaticContact CD2-CZ 3.87Å; Y33-F101 HydrophobicContact CD2-CZ 3.87Å; Y33-F101 AromaticContact CE2-CE1 3.9Å; Y33-F101 HydrophobicContact CE2-CE1 3.9Å; Y33-F101 AromaticContact CE2-CZ 3.81Å; Y33-F101 HydrophobicContact CE2-CZ 3.81Å; P97-F101 WeakPolarHBondContact O-CB 3.29Å; P97-F101 PolarHBondContact O-N 2.99Å; C98-F101 PolarHBondContact O-N 2.97Å; F101-I104 PolarHBondContact O-N 3.13Å; F101-Y105 WeakPolarHBondContact O-CB 3.3Å; F101-Y105 PolarHBondContact O-N 3.01Å
102V85.9Confident86.1Confident1 Ų161 Ų611%0.00631%0.307CS..Hα-helixtrans-61.1-47.5176.3170.80000111.9C98 C99 I100 I104 Y105 I106 F139 W140 I143C98-V102 VanDerWaalsContact O-CG2 3.24Å; C98-V102 WeakPolarHBondContact O-CG2 3.45Å; C98-V102 PolarHBondContact O-N 2.92Å; C99-V102 PolarHBondContact O-N 2.86Å; I100-V102 VanDerWaalsContact C-N 3.32Å; I100-V102 PolarHBondContact O-N 3.32Å; V102-I104 VanDerWaalsContact C-N 3.29Å; V102-I104 PolarHBondContact O-N 3.48Å; V102-Y105 PolarHBondContact O-N 2.98Å; V102-Y105 VanDerWaalsContact O-N 3.16Å; V102-I106 HydrophobicContact CG1-CD1 3.59Å; V102-I106 HydrophobicContact CG1-CG1 4.24Å; V102-I106 WeakPolarHBondContact O-CB 3.44Å; V102-I106 WeakPolarHBondContact O-CG1 3.33Å; V102-I106 PolarHBondContact O-N 3.21Å; V102-F139 HydrophobicContact CG1-CD1 3.87Å; V102-F139 HydrophobicContact CG1-CE1 4.33Å; V102-F139 HydrophobicContact CG2-CE1 4.43Å; V102-W140 HydrophobicContact CB-CH2 4.38Å; V102-W140 HydrophobicContact CB-CZ2 4.26Å; V102-W140 HydrophobicContact CG1-CD2 3.92Å; V102-W140 HydrophobicContact CG1-CE3 4.41Å; V102-W140 HydrophobicContact CG1-CG 4.36Å; V102-W140 HydrophobicContact CG1-CH2 4.45Å; V102-W140 HydrophobicContact CG1-CZ2 3.92Å; V102-I143 HydrophobicContact CB-CD1 4.37Å; V102-I143 HydrophobicContact CG2-CB 4.22Å; V102-I143 HydrophobicContact CG2-CD1 2.99Å; V102-I143 HydrophobicContact CG2-CG1 4.12Å; V102-I143 HydrophobicContact CG2-CG2 3.95Å
103T88.7Confident85.3Confident68 Ų6856.5 Ų56.542%0.41728%0.284SS..Hα-helixtrans-57.2-47.7177.7-52.10000110.4C99 I100 Y105 I106 V107 W140C99-T103 PolarHBondContact O-N 3.11Å; C99-T103 PolarHBondContact O-OG1 3.36Å; I100-T103 PolarHBondContact O-N 3.45Å; T103-Y105 VanDerWaalsContact C-N 3.33Å; T103-Y105 PolarHBondContact O-N 3.44Å; T103-I106 PolarHBondContact O-N 3.01Å; T103-V107 VanDerWaalsContact O-CG2 3.31Å; T103-V107 WeakPolarHBondContact O-CG2 3.29Å; T103-V107 PolarHBondContact O-N 3.21Å; T103-W140 VanDerWaalsContact OG1-CZ2 3.3Å; T103-W140 WeakPolarHBondContact OG1-CZ2 3.42Å
104I89.1Confident84.7Confident107 Ų10757 Ų5755%0.54929%0.287SS..Hα-helixtrans-60.6-43.7177.7-66.9168.2000110.8I100 F101 V102 V107 Y108I100-I104 HydrophobicContact CG2-CD1 3.82Å; I100-I104 WeakPolarHBondContact O-CG1 3.5Å; I100-I104 PolarHBondContact O-N 3.39Å; F101-I104 PolarHBondContact O-N 3.13Å; V102-I104 VanDerWaalsContact C-N 3.29Å; V102-I104 PolarHBondContact O-N 3.48Å; I104-V107 PolarHBondContact O-N 2.94Å; I104-Y108 VanDerWaalsContact O-CB 3.31Å; I104-Y108 WeakPolarHBondContact O-CB 3.27Å; I104-Y108 PolarHBondContact O-N 3.43Å
105Y83.7Confident84.3Confident90 Ų9062.5 Ų62.535%0.35332%0.315SS..Hα-helixtrans-66.4-41.3-179.1-172.9-103.4000112.5F101 V102 T103 Y108 L109 F139F101-Y105 WeakPolarHBondContact O-CB 3.3Å; F101-Y105 PolarHBondContact O-N 3.01Å; V102-Y105 PolarHBondContact O-N 2.98Å; V102-Y105 VanDerWaalsContact O-N 3.16Å; T103-Y105 VanDerWaalsContact C-N 3.33Å; T103-Y105 PolarHBondContact O-N 3.44Å; Y105-Y108 WeakPolarHBondContact O-CB 3.31Å; Y105-Y108 PolarHBondContact O-N 3.27Å; Y105-L109 HydrophobicContact CD1-CD1 3.9Å; Y105-L109 HydrophobicContact CD1-CG 4.3Å; Y105-L109 HydrophobicContact CE1-CD1 3.4Å; Y105-L109 VanDerWaalsContact CE1-CD1 3.4Å; Y105-L109 HydrophobicContact CE1-CD2 4.45Å; Y105-L109 HydrophobicContact CE1-CG 3.92Å; Y105-L109 WeakPolarHBondContact O-CG 3.31Å; Y105-L109 PolarHBondContact O-N 2.89Å; Y105-F139 HydrophobicContact CD1-CE1 4.06Å; Y105-F139 AromaticContact CD1-CZ 3.95Å; Y105-F139 HydrophobicContact CD1-CZ 3.95Å; Y105-F139 AromaticContact CE1-CZ 3.95Å; Y105-F139 HydrophobicContact CE1-CZ 3.95Å
106I84.7Confident83.3Confident19 Ų1963.9 Ų63.910%0.09733%0.326CS..Hα-helixtrans-61.7-47.5174.9-72.2169.5000110.4V102 T103 Y108 L109 E110 Y136V102-I106 HydrophobicContact CG1-CD1 3.59Å; V102-I106 HydrophobicContact CG1-CG1 4.24Å; V102-I106 WeakPolarHBondContact O-CB 3.44Å; V102-I106 WeakPolarHBondContact O-CG1 3.33Å; V102-I106 PolarHBondContact O-N 3.21Å; T103-I106 PolarHBondContact O-N 3.01Å; I106-Y108 VanDerWaalsContact C-N 3.3Å; I106-Y108 PolarHBondContact O-N 2.94Å; I106-L109 PolarHBondContact O-N 2.99Å; I106-E110 PolarHBondContact O-N 3.13Å; I106-Y136 HydrophobicContact CB-CD1 4.34Å; I106-Y136 HydrophobicContact CB-CE1 4.35Å; I106-Y136 HydrophobicContact CD1-CD1 3.77Å; I106-Y136 HydrophobicContact CD1-CG 4.16Å; I106-Y136 HydrophobicContact CG1-CD1 3.84Å; I106-Y136 HydrophobicContact CG1-CE1 4.19Å; I106-Y136 HydrophobicContact CG2-CD1 3.59Å; I106-Y136 HydrophobicContact CG2-CD2 4.28Å; I106-Y136 HydrophobicContact CG2-CE1 3.43Å; I106-Y136 VanDerWaalsContact CG2-CE1 3.43Å; I106-Y136 HydrophobicContact CG2-CE2 4.1Å; I106-Y136 HydrophobicContact CG2-CG 4.06Å
107V86.5Confident82Confident77 Ų7765.2 Ų65.247%0.46734%0.335SS..Hα-helixtrans-60.9-41.9177.1171.10000110.9T103 I104 E110 I111T103-V107 VanDerWaalsContact O-CG2 3.31Å; T103-V107 WeakPolarHBondContact O-CG2 3.29Å; T103-V107 PolarHBondContact O-N 3.21Å; I104-V107 PolarHBondContact O-N 2.94Å; V107-E110 PolarHBondContact O-N 3.33Å; V107-I111 HydrophobicContact CG1-CD1 3.88Å; V107-I111 VanDerWaalsContact O-CG1 3.31Å; V107-I111 WeakPolarHBondContact O-CG1 3.43Å; V107-I111 PolarHBondContact O-N 3.37Å
108Y84.8Confident80.4Confident127 Ų12769.9 Ų69.950%0.49835%0.346SS..Hα-helixtrans-61.3-44.2176.3172-103.8000112.5I104 Y105 I106 I111 I112I104-Y108 VanDerWaalsContact O-CB 3.31Å; I104-Y108 WeakPolarHBondContact O-CB 3.27Å; I104-Y108 PolarHBondContact O-N 3.43Å; Y105-Y108 WeakPolarHBondContact O-CB 3.31Å; Y105-Y108 PolarHBondContact O-N 3.27Å; I106-Y108 VanDerWaalsContact C-N 3.3Å; I106-Y108 PolarHBondContact O-N 2.94Å; Y108-I111 PolarHBondContact O-N 3.39Å; Y108-I112 HydrophobicContact CD1-CD1 4.14Å; Y108-I112 HydrophobicContact CD2-CD1 4.34Å; Y108-I112 HydrophobicContact CE1-CD1 3.42Å; Y108-I112 VanDerWaalsContact CE1-CD1 3.42Å; Y108-I112 HydrophobicContact CE1-CG1 4.45Å; Y108-I112 HydrophobicContact CE2-CD1 3.65Å; Y108-I112 HydrophobicContact CE2-CG1 4.19Å; Y108-I112 PolarHBondContact O-N 2.91Å; Y108-I112 VanDerWaalsContact OH-CD1 3.24Å; Y108-I112 WeakPolarHBondContact OH-CD1 3.45Å
109L78.6Confident78.3Confident37 Ų3773.9 Ų73.919%0.19437%0.37CS..Hα-helixtrans-62.9-41.8176.1-74.9179.7000112.1Y105 I106 I112 N113Y105-L109 HydrophobicContact CD1-CD1 3.9Å; Y105-L109 HydrophobicContact CD1-CG 4.3Å; Y105-L109 HydrophobicContact CE1-CD1 3.4Å; Y105-L109 VanDerWaalsContact CE1-CD1 3.4Å; Y105-L109 HydrophobicContact CE1-CD2 4.45Å; Y105-L109 HydrophobicContact CE1-CG 3.92Å; Y105-L109 WeakPolarHBondContact O-CG 3.31Å; Y105-L109 PolarHBondContact O-N 2.89Å; I106-L109 PolarHBondContact O-N 2.99Å; L109-I112 PolarHBondContact O-N 2.97Å; L109-N113 WeakPolarHBondContact O-CB 3.49Å; L109-N113 VanDerWaalsContact O-CG 3.23Å; L109-N113 PolarHBondContact O-N 2.88Å; L109-N113 PolarHBondContact O-ND2 3.22Å
110E78.7Confident76.3Confident27 Ų2781.7 Ų81.713%0.12641%0.405CS..Hα-helixtrans-59.2-47.1174.5-78.7-77.8-18000111.8I106 V107 I112 N113 I114 R132 Y136I106-E110 PolarHBondContact O-N 3.13Å; V107-E110 PolarHBondContact O-N 3.33Å; E110-I112 VanDerWaalsContact C-N 3.34Å; E110-I112 PolarHBondContact O-N 3.15Å; E110-N113 PolarHBondContact O-N 3.2Å; E110-I114 VanDerWaalsContact O-CG1 3.28Å; E110-I114 WeakPolarHBondContact O-CG1 3.01Å; E110-I114 PolarHBondContact O-N 2.93Å; E110-R132 IonicContact OE1-CZ 3.29Å; E110-R132 IonicContact OE1-NE 3.09Å; E110-R132 PolarHBondContact OE1-NE 3.32Å; E110-R132 IonicContact OE1-NH2 3.72Å; E110-R132 PolarHBondContact OE1-NH2 3.01Å; E110-R132 IonicContact OE2-CZ 2.84Å; E110-R132 IonicContact OE2-NH2 3.86Å; E110-R132 PolarHBondContact OE2-NH2 3.25Å; E110-R132 VanDerWaalsContact OE2-NH2 3.07Å; E110-Y136 WeakPolarHBondContact CG-OH 3.34Å; E110-Y136 PolarHBondContact OE1-OH 3.44Å
111I82.2Confident74.1Confident86 Ų8684 Ų8444%0.44142%0.417SS..Hα-helixtrans-60.2-45.4177.6-70167.7000110.8V107 Y108 N113 I114 I115V107-I111 HydrophobicContact CG1-CD1 3.88Å; V107-I111 VanDerWaalsContact O-CG1 3.31Å; V107-I111 WeakPolarHBondContact O-CG1 3.43Å; V107-I111 PolarHBondContact O-N 3.37Å; Y108-I111 PolarHBondContact O-N 3.39Å; I111-N113 VanDerWaalsContact C-N 3.35Å; I111-N113 PolarHBondContact O-N 3.1Å; I111-I114 PolarHBondContact O-N 3.43Å; I111-I115 HydrophobicContact CG2-CD1 3.57Å; I111-I115 HydrophobicContact CG2-CG1 4.35Å; I111-I115 VanDerWaalsContact O-CG1 3.26Å; I111-I115 WeakPolarHBondContact O-CG1 3.41Å; I111-I115 PolarHBondContact O-N 2.81Å
112I78.2Confident72.3Confident44 Ų4483.5 Ų83.523%0.22642%0.417CS..Hα-helixtrans-62.6-42.2178.1-77.7-172.2000111.8Y108 L109 E110 I114 I115 N116Y108-I112 HydrophobicContact CD1-CD1 4.14Å; Y108-I112 HydrophobicContact CD2-CD1 4.34Å; Y108-I112 HydrophobicContact CE1-CD1 3.42Å; Y108-I112 VanDerWaalsContact CE1-CD1 3.42Å; Y108-I112 HydrophobicContact CE1-CG1 4.45Å; Y108-I112 HydrophobicContact CE2-CD1 3.65Å; Y108-I112 HydrophobicContact CE2-CG1 4.19Å; Y108-I112 PolarHBondContact O-N 2.91Å; Y108-I112 VanDerWaalsContact OH-CD1 3.24Å; Y108-I112 WeakPolarHBondContact OH-CD1 3.45Å; L109-I112 PolarHBondContact O-N 2.97Å; E110-I112 VanDerWaalsContact C-N 3.34Å; E110-I112 PolarHBondContact O-N 3.15Å; I112-I114 VanDerWaalsContact C-N 3.33Å; I112-I114 PolarHBondContact O-N 3.06Å; I112-I115 PolarHBondContact O-N 3.16Å; I112-N116 WeakPolarHBondContact O-CB 3.38Å; I112-N116 PolarHBondContact O-N 3.06Å
113N72.5Confident70.6Confident21 Ų2185 Ų8511%0.11243%0.425CS..Hα-helixtrans-62.4-43.2178.5-73.8-20.2000111.4L109 E110 I111 N117 L122L109-N113 WeakPolarHBondContact O-CB 3.49Å; L109-N113 VanDerWaalsContact O-CG 3.23Å; L109-N113 PolarHBondContact O-N 2.88Å; L109-N113 PolarHBondContact O-ND2 3.22Å; E110-N113 PolarHBondContact O-N 3.2Å; I111-N113 VanDerWaalsContact C-N 3.35Å; I111-N113 PolarHBondContact O-N 3.1Å; N113-N117 PolarHBondContact O-N 3.08Å; N113-N117 VanDerWaalsContact O-N 3.16Å; N113-L122 WeakPolarHBondContact ND2-CB 3.47Å
114I74.6Confident68.8Low103 Ų10383.2 Ų83.253%0.52842%0.415SS..Hα-helixtrans-62.3-46176.2-67.2165000110.9E110 I111 I112E110-I114 VanDerWaalsContact O-CG1 3.28Å; E110-I114 WeakPolarHBondContact O-CG1 3.01Å; E110-I114 PolarHBondContact O-N 2.93Å; I111-I114 PolarHBondContact O-N 3.43Å; I112-I114 VanDerWaalsContact C-N 3.33Å; I112-I114 PolarHBondContact O-N 3.06Å
115I79.4Confident67Low118 Ų11885.1 Ų85.161%0.60543%0.426SS*.Hα-helixtrans-68.4-44.3-176.6-69.5170.2000111.5I111 I112I111-I115 HydrophobicContact CG2-CD1 3.57Å; I111-I115 HydrophobicContact CG2-CG1 4.35Å; I111-I115 VanDerWaalsContact O-CG1 3.26Å; I111-I115 WeakPolarHBondContact O-CG1 3.41Å; I111-I115 PolarHBondContact O-N 2.81Å; I112-I115 PolarHBondContact O-N 3.16Å
116N70Confident65.6Low88 Ų8890.7 Ų90.747%0.47145%0.447SS..Hα-helixtrans-92.7-0.5-169.5-71.6-30000114I112 Y118I112-N116 WeakPolarHBondContact O-CB 3.38Å; I112-N116 PolarHBondContact O-N 3.06Å; N116-Y118 HydrophobicContact CB-CD2 3.44Å; N116-Y118 VanDerWaalsContact CB-CD2 3.44Å; N116-Y118 HydrophobicContact CB-CE2 3.73Å; N116-Y118 HydrophobicContact CB-CG 4.48Å; N116-Y118 PolarHBondContact O-N 2.88Å
117N62.1Low64.4Low123 Ų12393.1 Ų93.166%0.65846%0.457SS*.THydrogen-bonded Turntrans47.136.5-174.7-75.3-34.4000112.5N113 T119N113-N117 PolarHBondContact O-N 3.08Å; N113-N117 VanDerWaalsContact O-N 3.16Å; N117-T119 WeakPolarHBondContact O-CB 3.44Å; N117-T119 WeakPolarHBondContact O-CG2 3.48Å; N117-T119 PolarHBondContact O-N 3.32Å; N117-T119 PolarHBondContact O-OG1 3.39Å
118Y54.6Low63.6Low155 Ų15593.1 Ų93.161%0.60846%0.459SS*.  trans-64.1100.2177.5-93.6-72.6000108.4N116N116-Y118 HydrophobicContact CB-CD2 3.44Å; N116-Y118 VanDerWaalsContact CB-CD2 3.44Å; N116-Y118 HydrophobicContact CB-CE2 3.73Å; N116-Y118 HydrophobicContact CB-CG 4.48Å; N116-Y118 PolarHBondContact O-N 2.88Å
119T45.8Very low63.2Low87 Ų8793.3 Ų93.353%0.53447%0.468SS..THydrogen-bonded Turntrans-98.31.5-156.512.10000114N117N117-T119 WeakPolarHBondContact O-CB 3.44Å; N117-T119 WeakPolarHBondContact O-CG2 3.48Å; N117-T119 PolarHBondContact O-N 3.32Å; N117-T119 PolarHBondContact O-OG1 3.39Å
120E46.2Very low63.2Low186 Ų18696.1 Ų96.187%0.86949%0.486SS*.THydrogen-bonded Turntrans-109.9-25.9-170.3-69.4-169.6160.800115.8
121L44.9Very low63Low148 Ų14897.8 Ų97.878%0.77550%0.5SS*.THydrogen-bonded Turntrans-121.2-20.1178.6-116.696.2000115.6Q127L121-Q127 PolarHBondContact O-NE2 3.4Å
122L48.5Very low62.6Low41 Ų4196.9 Ų96.922%0.21549%0.491CS..  trans-14535.4-173.1-80.5159.1000111.8N113 S124N113-L122 WeakPolarHBondContact ND2-CB 3.47Å; L122-S124 PolarHBondContact O-N 3.11Å
123D50.2Low62.8Low33 Ų3398.6 Ų98.618%0.17650%0.503CS..  trans-61.7101.5172.1-171.5-0.8000108.8N125 R126 Q127D123-N125 PolarHBondContact O-N 2.95Å; D123-N125 PolarHBondContact OD1-N 3.2Å; D123-R126 HydrophobicContact CB-CB 4.27Å; D123-R126 PolarHBondContact O-N 3.2Å; D123-R126 WeakPolarHBondContact OD2-CD 3.37Å; D123-R126 IonicContact OD2-NE 3.07Å; D123-Q127 PolarHBondContact O-N 3.21Å; D123-Q127 VanDerWaalsContact O-N 3.07Å
124S50.2Low63.4Low30 Ų30102 Ų10221%0.2152%0.521CS..THydrogen-bonded Turntrans-61.3-19-171.961.20000112.7L122L122-S124 PolarHBondContact O-N 3.11Å
125N50.9Low63.7Low148 Ų148101.7 Ų101.779%0.79151%0.514SS*.THydrogen-bonded Turntrans-89.3-15.9178.5-68.9-21.9000113.2D123D123-N125 PolarHBondContact O-N 2.95Å; D123-N125 PolarHBondContact OD1-N 3.2Å
126R54Low63.9Low207 Ų20797.8 Ų97.878%0.78149%0.492SS*.THydrogen-bonded Turntrans-109-29.4-179.4-74.4-174.9176.6-171.70.6114.1D123D123-R126 HydrophobicContact CB-CB 4.27Å; D123-R126 PolarHBondContact O-N 3.2Å; D123-R126 WeakPolarHBondContact OD2-CD 3.37Å; D123-R126 IonicContact OD2-NE 3.07Å
127Q60.6Low64.7Low69 Ų6996.8 Ų96.832%0.32249%0.492SS..SBendtrans-77.7126.5178.7-81.2-174-11.900111.3L121 D123 I129L121-Q127 PolarHBondContact O-NE2 3.4Å; D123-Q127 PolarHBondContact O-N 3.21Å; D123-Q127 VanDerWaalsContact O-N 3.07Å; Q127-I129 PolarHBondContact O-N 3.49Å
128P69.8Low65.9Low78 Ų7895.3 Ų95.351%0.50648%0.483SS..  trans-58.8140.8176.622.7-30.1000109.6T130 C131P128-T130 PolarHBondContact O-N 3.38Å; P128-C131 HydrophobicContact CG-CB 4.27Å; P128-C131 WeakPolarHBondContact O-CB 3.42Å; P128-C131 PolarHBondContact O-N 3.42Å
129I74.9Confident67.4Low131 Ų13188.8 Ų88.867%0.67246%0.458SS*.Hα-helixtrans-47.9-38.1-177.9-67.1165.9000111.2Q127 C131 R132 V133Q127-I129 PolarHBondContact O-N 3.49Å; I129-C131 VanDerWaalsContact C-N 3.33Å; I129-C131 PolarHBondContact O-N 2.9Å; I129-R132 PolarHBondContact O-N 2.84Å; I129-V133 HydrophobicContact CG2-CG2 4.2Å; I129-V133 WeakPolarHBondContact O-CG2 3.49Å; I129-V133 PolarHBondContact O-N 3.43Å
130T78.7Confident69.4Low96 Ų9688.1 Ų88.159%0.58945%0.446SS*.Hα-helixtrans-55.5-43.1176.6-40.70000112.9P128 V133 I134P128-T130 PolarHBondContact O-N 3.38Å; T130-V133 PolarHBondContact O-N 3.34Å; T130-I134 HydrophobicContact CG2-CD1 4.09Å; T130-I134 VanDerWaalsContact O-CG1 3.24Å; T130-I134 WeakPolarHBondContact O-CG1 3.43Å; T130-I134 PolarHBondContact O-N 3.39Å
131C75.8Confident71.5Confident62 Ų6284 Ų8442%0.41943%0.429SS..Hα-helixtrans-65.2-40.6178.1-750000111.9P128 I129 I134 Y135P128-C131 HydrophobicContact CG-CB 4.27Å; P128-C131 WeakPolarHBondContact O-CB 3.42Å; P128-C131 PolarHBondContact O-N 3.42Å; I129-C131 VanDerWaalsContact C-N 3.33Å; I129-C131 PolarHBondContact O-N 2.9Å; C131-I134 PolarHBondContact O-N 2.93Å; C131-Y135 WeakPolarHBondContact O-CB 3.32Å; C131-Y135 PolarHBondContact O-N 3.04Å
132R73.6Confident73.7Confident67 Ų6779.7 Ų79.725%0.25341%0.406SS..Hα-helixtrans-63.3-45.3175.3-76.6172.364.2-162.4-2.5111.3E110 I129 I134 Y135 Y136E110-R132 IonicContact OE1-CZ 3.29Å; E110-R132 IonicContact OE1-NE 3.09Å; E110-R132 PolarHBondContact OE1-NE 3.32Å; E110-R132 IonicContact OE1-NH2 3.72Å; E110-R132 PolarHBondContact OE1-NH2 3.01Å; E110-R132 IonicContact OE2-CZ 2.84Å; E110-R132 IonicContact OE2-NH2 3.86Å; E110-R132 PolarHBondContact OE2-NH2 3.25Å; E110-R132 VanDerWaalsContact OE2-NH2 3.07Å; I129-R132 PolarHBondContact O-N 2.84Å; R132-I134 VanDerWaalsContact C-N 3.33Å; R132-I134 PolarHBondContact O-N 3.46Å; R132-Y135 PolarHBondContact O-N 2.84Å; R132-Y136 HydrophobicContact CB-CE2 4.09Å; R132-Y136 WeakPolarHBondContact O-CD2 3.25Å; R132-Y136 PolarHBondContact O-N 2.87Å
133V81.7Confident75.7Confident79 Ų7978.2 Ų78.248%0.47940%0.398SS..Hα-helixtrans-60.7-43176.9173.40000111.3I129 T130 Y136 S137I129-V133 HydrophobicContact CG2-CG2 4.2Å; I129-V133 WeakPolarHBondContact O-CG2 3.49Å; I129-V133 PolarHBondContact O-N 3.43Å; T130-V133 PolarHBondContact O-N 3.34Å; V133-Y136 PolarHBondContact O-N 3.36Å; V133-S137 VanDerWaalsContact O-CB 3.28Å; V133-S137 WeakPolarHBondContact O-CB 3.43Å; V133-S137 PolarHBondContact O-N 3.25Å; V133-S137 PolarHBondContact O-OG 3Å
134I84.7Confident77.7Confident92 Ų9278.7 Ų78.747%0.47240%0.403SS..Hα-helixtrans-62.7-47.1176.2-69.1165.1000110.4T130 C131 R132 Y136 S137 L138T130-I134 HydrophobicContact CG2-CD1 4.09Å; T130-I134 VanDerWaalsContact O-CG1 3.24Å; T130-I134 WeakPolarHBondContact O-CG1 3.43Å; T130-I134 PolarHBondContact O-N 3.39Å; C131-I134 PolarHBondContact O-N 2.93Å; R132-I134 VanDerWaalsContact C-N 3.33Å; R132-I134 PolarHBondContact O-N 3.46Å; I134-Y136 PolarHBondContact O-N 3.08Å; I134-S137 PolarHBondContact O-N 3.41Å; I134-L138 HydrophobicContact CG2-CD1 3.93Å; I134-L138 HydrophobicContact CG2-CG 4.36Å; I134-L138 WeakPolarHBondContact O-CB 3.4Å; I134-L138 WeakPolarHBondContact O-CG 3.3Å; I134-L138 PolarHBondContact O-N 2.89Å
135Y81.5Confident79.8Confident98 Ų9881.3 Ų81.338%0.38441%0.413SS..Hα-helixtrans-58.5-47178.8178.4-99000111.9C131 R132 L138 F139C131-Y135 WeakPolarHBondContact O-CB 3.32Å; C131-Y135 PolarHBondContact O-N 3.04Å; R132-Y135 PolarHBondContact O-N 2.84Å; Y135-L138 PolarHBondContact O-N 3.04Å; Y135-F139 PolarHBondContact O-N 3.19Å
136Y84.4Confident81.9Confident36 Ų3675.5 Ų75.514%0.14138%0.381CS..Hα-helixtrans-64.2-44176.3-62.5-36.1000112.1I106 E110 R132 V133 I134 L138 F139 W140I106-Y136 HydrophobicContact CB-CD1 4.34Å; I106-Y136 HydrophobicContact CB-CE1 4.35Å; I106-Y136 HydrophobicContact CD1-CD1 3.77Å; I106-Y136 HydrophobicContact CD1-CG 4.16Å; I106-Y136 HydrophobicContact CG1-CD1 3.84Å; I106-Y136 HydrophobicContact CG1-CE1 4.19Å; I106-Y136 HydrophobicContact CG2-CD1 3.59Å; I106-Y136 HydrophobicContact CG2-CD2 4.28Å; I106-Y136 HydrophobicContact CG2-CE1 3.43Å; I106-Y136 VanDerWaalsContact CG2-CE1 3.43Å; I106-Y136 HydrophobicContact CG2-CE2 4.1Å; I106-Y136 HydrophobicContact CG2-CG 4.06Å; E110-Y136 WeakPolarHBondContact CG-OH 3.34Å; E110-Y136 PolarHBondContact OE1-OH 3.44Å; R132-Y136 HydrophobicContact CB-CE2 4.09Å; R132-Y136 WeakPolarHBondContact O-CD2 3.25Å; R132-Y136 PolarHBondContact O-N 2.87Å; V133-Y136 PolarHBondContact O-N 3.36Å; I134-Y136 PolarHBondContact O-N 3.08Å; Y136-L138 VanDerWaalsContact C-N 3.29Å; Y136-L138 PolarHBondContact O-N 3.23Å; Y136-F139 WeakPolarHBondContact O-CB 3.16Å; Y136-F139 PolarHBondContact O-N 3.03Å; Y136-F139 VanDerWaalsContact O-N 3.08Å; Y136-W140 PolarHBondContact O-N 3.39Å
137S86.7Confident83.7Confident67 Ų6765.6 Ų65.647%0.46934%0.344SS..Hα-helixtrans-60.2-39.6177.5-580000112V133 I134 W140 L141V133-S137 VanDerWaalsContact O-CB 3.28Å; V133-S137 WeakPolarHBondContact O-CB 3.43Å; V133-S137 PolarHBondContact O-N 3.25Å; V133-S137 PolarHBondContact O-OG 3Å; I134-S137 PolarHBondContact O-N 3.41Å; S137-W140 WeakPolarHBondContact O-CB 3.24Å; S137-W140 PolarHBondContact O-N 2.84Å; S137-L141 WeakPolarHBondContact O-CB 3.34Å; S137-L141 PolarHBondContact O-N 3.32Å
138L87.1Confident85.3Confident91 Ų9164.5 Ų64.548%0.47635%0.346SS..Hα-helixtrans-64.4-41.4173.9-74.3170.6000111.6I134 Y135 Y136 W140 L141 I142I134-L138 HydrophobicContact CG2-CD1 3.93Å; I134-L138 HydrophobicContact CG2-CG 4.36Å; I134-L138 WeakPolarHBondContact O-CB 3.4Å; I134-L138 WeakPolarHBondContact O-CG 3.3Å; I134-L138 PolarHBondContact O-N 2.89Å; Y135-L138 PolarHBondContact O-N 3.04Å; Y136-L138 VanDerWaalsContact C-N 3.29Å; Y136-L138 PolarHBondContact O-N 3.23Å; L138-W140 VanDerWaalsContact C-N 3.33Å; L138-W140 PolarHBondContact O-N 2.92Å; L138-L141 WeakPolarHBondContact O-CB 3.48Å; L138-L141 PolarHBondContact O-N 3.16Å; L138-I142 VanDerWaalsContact O-CG1 3.27Å; L138-I142 WeakPolarHBondContact O-CG1 3.28Å; L138-I142 PolarHBondContact O-N 3.43Å
139F85.1Confident86.4Confident18 Ų1863.2 Ų63.28%0.07934%0.339CS..Hα-helixtrans-62.4-41.5176.8-155.1-96.7000112T36 I40 V102 Y105 Y135 Y136 I142 I143T36-F139 HydrophobicContact CG2-CZ 4.32Å; I40-F139 HydrophobicContact CD1-CE2 3.65Å; I40-F139 HydrophobicContact CD1-CZ 4.26Å; V102-F139 HydrophobicContact CG1-CD1 3.87Å; V102-F139 HydrophobicContact CG1-CE1 4.33Å; V102-F139 HydrophobicContact CG2-CE1 4.43Å; Y105-F139 HydrophobicContact CD1-CE1 4.06Å; Y105-F139 AromaticContact CD1-CZ 3.95Å; Y105-F139 HydrophobicContact CD1-CZ 3.95Å; Y105-F139 AromaticContact CE1-CZ 3.95Å; Y105-F139 HydrophobicContact CE1-CZ 3.95Å; Y135-F139 PolarHBondContact O-N 3.19Å; Y136-F139 WeakPolarHBondContact O-CB 3.16Å; Y136-F139 PolarHBondContact O-N 3.03Å; Y136-F139 VanDerWaalsContact O-N 3.08Å; F139-I142 PolarHBondContact O-N 2.88Å; F139-I143 HydrophobicContact CD1-CD1 3.97Å; F139-I143 HydrophobicContact CE1-CD1 3.63Å; F139-I143 HydrophobicContact CZ-CD1 4.41Å; F139-I143 PolarHBondContact O-N 3.01Å; F139-I143 VanDerWaalsContact O-N 3.13Å
140W88.5Confident87.2Confident74 Ų7457 Ų5728%0.2831%0.307SS..Hα-helixtrans-61.8-43.1172.4-81.5104.8000112.8C99 V102 T103 Y136 S137 L138 I143 T144C99-W140 VanDerWaalsContact CA-CH2 3.44Å; C99-W140 HydrophobicContact CB-CH2 3.53Å; C99-W140 HydrophobicContact CB-CZ3 3.41Å; C99-W140 VanDerWaalsContact CB-CZ3 3.41Å; C99-W140 WeakPolarHBondContact O-CH2 3.35Å; C99-W140 VanDerWaalsContact SG-CZ3 3.56Å; V102-W140 HydrophobicContact CB-CH2 4.38Å; V102-W140 HydrophobicContact CB-CZ2 4.26Å; V102-W140 HydrophobicContact CG1-CD2 3.92Å; V102-W140 HydrophobicContact CG1-CE3 4.41Å; V102-W140 HydrophobicContact CG1-CG 4.36Å; V102-W140 HydrophobicContact CG1-CH2 4.45Å; V102-W140 HydrophobicContact CG1-CZ2 3.92Å; T103-W140 VanDerWaalsContact OG1-CZ2 3.3Å; T103-W140 WeakPolarHBondContact OG1-CZ2 3.42Å; Y136-W140 PolarHBondContact O-N 3.39Å; S137-W140 WeakPolarHBondContact O-CB 3.24Å; S137-W140 PolarHBondContact O-N 2.84Å; L138-W140 VanDerWaalsContact C-N 3.33Å; L138-W140 PolarHBondContact O-N 2.92Å; W140-I143 PolarHBondContact O-N 3.25Å; W140-T144 PolarHBondContact O-N 3.49Å; W140-T144 PolarHBondContact O-OG1 2.9Å
141L90.9Very high87.9Confident99 Ų9952.9 Ų52.952%0.51828%0.282SS..Hα-helixtrans-60.9-48176.4-173.682.8000111.1S137 L138 I143 T144 I145S137-L141 WeakPolarHBondContact O-CB 3.34Å; S137-L141 PolarHBondContact O-N 3.32Å; L138-L141 WeakPolarHBondContact O-CB 3.48Å; L138-L141 PolarHBondContact O-N 3.16Å; L141-I143 VanDerWaalsContact C-N 3.27Å; L141-I143 PolarHBondContact O-N 2.83Å; L141-T144 WeakPolarHBondContact O-CB 3.49Å; L141-T144 PolarHBondContact O-N 2.92Å; L141-T144 VanDerWaalsContact O-N 3.15Å; L141-I145 HydrophobicContact CD2-CD1 4.32Å; L141-I145 HydrophobicContact CG-CD1 4.04Å; L141-I145 WeakPolarHBondContact O-CG1 3.45Å; L141-I145 PolarHBondContact O-N 3.43Å
142I90.2Very high88.5Confident58 Ų5851.2 Ų51.230%0.29728%0.275SS..Hα-helixtrans-55.8-45.6178.9-73.4168.6000110.3T36 L138 F139 T144 I145 F146T36-I142 HydrophobicContact CG2-CG2 4.19Å; L138-I142 VanDerWaalsContact O-CG1 3.27Å; L138-I142 WeakPolarHBondContact O-CG1 3.28Å; L138-I142 PolarHBondContact O-N 3.43Å; F139-I142 PolarHBondContact O-N 2.88Å; I142-T144 PolarHBondContact O-N 3.41Å; I142-I145 PolarHBondContact O-N 3.41Å; I142-F146 HydrophobicContact CG2-CD2 3.51Å; I142-F146 HydrophobicContact CG2-CE2 3.28Å; I142-F146 HydrophobicContact CG2-CZ 4.17Å; I142-F146 WeakPolarHBondContact O-CD2 3.35Å; I142-F146 WeakPolarHBondContact O-CG 3.34Å; I142-F146 PolarHBondContact O-N 2.95Å
143I90.2Very high89.3Confident10 Ų1050.8 Ų50.85%0.05128%0.278CS..Hα-helixtrans-71.5-32.7-178.9-77.3175.9000112.4T32 T36 C98 V102 F139 W140 L141 F146 N147T32-I143 HydrophobicContact CG2-CG2 4.03Å; T36-I143 HydrophobicContact CG2-CD1 4.28Å; T36-I143 HydrophobicContact CG2-CG1 4.18Å; C98-I143 HydrophobicContact CB-CG2 3.89Å; V102-I143 HydrophobicContact CB-CD1 4.37Å; V102-I143 HydrophobicContact CG2-CB 4.22Å; V102-I143 HydrophobicContact CG2-CD1 2.99Å; V102-I143 HydrophobicContact CG2-CG1 4.12Å; V102-I143 HydrophobicContact CG2-CG2 3.95Å; F139-I143 HydrophobicContact CD1-CD1 3.97Å; F139-I143 HydrophobicContact CE1-CD1 3.63Å; F139-I143 HydrophobicContact CZ-CD1 4.41Å; F139-I143 PolarHBondContact O-N 3.01Å; F139-I143 VanDerWaalsContact O-N 3.13Å; W140-I143 PolarHBondContact O-N 3.25Å; L141-I143 VanDerWaalsContact C-N 3.27Å; L141-I143 PolarHBondContact O-N 2.83Å; I143-F146 PolarHBondContact O-N 2.7Å; I143-N147 WeakPolarHBondContact O-CB 3.42Å; I143-N147 PolarHBondContact O-N 2.96Å
144T92.7Very high89.7Confident43 Ų4347.1 Ų47.126%0.26426%0.255SS..Hα-helixtrans-61-46.7170.8-54.20000110.9F91 Y95 W140 L141 I142 N147 A148F91-T144 HydrophobicContact CZ-CG2 4.16Å; Y95-T144 HydrophobicContact CE2-CG2 4.22Å; Y95-T144 WeakPolarHBondContact CE2-OG1 3.24Å; Y95-T144 PolarHBondContact OH-OG1 3.25Å; W140-T144 PolarHBondContact O-N 3.49Å; W140-T144 PolarHBondContact O-OG1 2.9Å; L141-T144 WeakPolarHBondContact O-CB 3.49Å; L141-T144 PolarHBondContact O-N 2.92Å; L141-T144 VanDerWaalsContact O-N 3.15Å; I142-T144 PolarHBondContact O-N 3.41Å; T144-N147 PolarHBondContact O-N 3.38Å; T144-A148 WeakPolarHBondContact O-CB 3.45Å; T144-A148 PolarHBondContact O-N 2.91Å
145I94.3Very high89.9Confident85 Ų8549.5 Ų49.544%0.43626%0.258SS..Hα-helixtrans-63.2-45.6178.8-67.5166.8000110.8L141 I142 A148 S149L141-I145 HydrophobicContact CD2-CD1 4.32Å; L141-I145 HydrophobicContact CG-CD1 4.04Å; L141-I145 WeakPolarHBondContact O-CG1 3.45Å; L141-I145 PolarHBondContact O-N 3.43Å; I142-I145 PolarHBondContact O-N 3.41Å; I145-A148 PolarHBondContact O-N 3.38Å; I145-S149 WeakPolarHBondContact O-CB 3.24Å; I145-S149 PolarHBondContact O-N 3.25Å; I145-S149 PolarHBondContact O-OG 3.33Å
146F93.8Very high90.2Very high25 Ų2550.4 Ų50.411%0.1127%0.269CS..Hα-helixtrans-74.2-30.1-178.6-66.9-29.8000113.5T32 L35 T36 H39 I142 I143 S149 S150T32-F146 HydrophobicContact CG2-CB 4.02Å; L35-F146 HydrophobicContact CB-CB 4.03Å; L35-F146 HydrophobicContact CB-CD1 4.18Å; L35-F146 HydrophobicContact CB-CD2 4.13Å; L35-F146 HydrophobicContact CB-CG 3.86Å; L35-F146 HydrophobicContact CD1-CB 4.34Å; T36-F146 WeakPolarHBondContact OG1-CD2 3.49Å; H39-F146 HydrophobicContact CB-CE2 3.97Å; H39-F146 HydrophobicContact CB-CZ 3.71Å; H39-F146 AromaticContact CD2-CZ 3.76Å; H39-F146 AromaticContact CE1-CE1 3.75Å; H39-F146 AromaticContact CE1-CZ 3.78Å; H39-F146 AromaticContact CG-CZ 3.33Å; H39-F146 AromaticContact ND1-CE1 3.77Å; H39-F146 AromaticContact ND1-CE2 3.96Å; H39-F146 AromaticContact ND1-CZ 3.35Å; H39-F146 VanDerWaalsContact ND1-CZ 3.35Å; H39-F146 WeakPolarHBondContact ND1-CZ 3.15Å; I142-F146 HydrophobicContact CG2-CD2 3.51Å; I142-F146 HydrophobicContact CG2-CE2 3.28Å; I142-F146 HydrophobicContact CG2-CZ 4.17Å; I142-F146 WeakPolarHBondContact O-CD2 3.35Å; I142-F146 WeakPolarHBondContact O-CG 3.34Å; I142-F146 PolarHBondContact O-N 2.95Å; I143-F146 PolarHBondContact O-N 2.7Å; F146-S149 PolarHBondContact O-N 2.97Å; F146-S150 WeakPolarHBondContact O-CB 3.31Å; F146-S150 PolarHBondContact O-N 2.85Å; F146-S150 PolarHBondContact O-OG 3.26Å
147N93Very high90.3Very high0 Ų051.2 Ų51.20%028%0.276CS..Hα-helixtrans-67.3-42.2169.5-174.735.7000111.3T28 T32 F91 Y95 I143 T144 S149 S150 C151T28-N147 WeakPolarHBondContact CG2-OD1 3.22Å; T32-N147 HydrophobicContact CG2-CB 4.06Å; T32-N147 VanDerWaalsContact OG1-CA 3.26Å; T32-N147 WeakPolarHBondContact OG1-CA 3.44Å; F91-N147 HydrophobicContact CE2-CB 4.15Å; F91-N147 VanDerWaalsContact CE2-ND2 3.26Å; F91-N147 WeakPolarHBondContact CE2-ND2 3.31Å; Y95-N147 VanDerWaalsContact CA-ND2 3.3Å; Y95-N147 WeakPolarHBondContact CA-ND2 3.43Å; Y95-N147 WeakPolarHBondContact CB-ND2 3.16Å; Y95-N147 PolarHBondContact N-ND2 3.17Å; I143-N147 WeakPolarHBondContact O-CB 3.42Å; I143-N147 PolarHBondContact O-N 2.96Å; T144-N147 PolarHBondContact O-N 3.38Å; N147-S149 VanDerWaalsContact C-N 3.31Å; N147-S149 PolarHBondContact O-N 3.43Å; N147-S150 PolarHBondContact O-N 3.35Å; N147-C151 PolarHBondContact O-N 3.42Å; N147-C151 PolarHBondContact O-SG 3.01Å; N147-C151 VanDerWaalsContact O-SG 3.33Å
148A93.6Very high90.2Very high46 Ų4649.3 Ų49.338%0.3826%0.261SS..Hα-helixtrans-62.7-41.817500000111F91 T144 I145 C151 G152F91-A148 HydrophobicContact CE2-CB 3.93Å; T144-A148 WeakPolarHBondContact O-CB 3.45Å; T144-A148 PolarHBondContact O-N 2.91Å; I145-A148 PolarHBondContact O-N 3.38Å; A148-C151 PolarHBondContact O-N 3.47Å; A148-G152 PolarHBondContact O-N 2.45Å
149S93.1Very high89.9Confident50 Ų5050.4 Ų50.435%0.3527%0.266SS..Hα-helixtrans-62-45.7175.6-58.40000111.4I145 F146 N147 C151 G152 I153I145-S149 WeakPolarHBondContact O-CB 3.24Å; I145-S149 PolarHBondContact O-N 3.25Å; I145-S149 PolarHBondContact O-OG 3.33Å; F146-S149 PolarHBondContact O-N 2.97Å; N147-S149 VanDerWaalsContact C-N 3.31Å; N147-S149 PolarHBondContact O-N 3.43Å; S149-C151 PolarHBondContact O-N 3.34Å; S149-G152 CarbonylContact O-C 3.41Å; S149-G152 WeakPolarHBondContact O-CA 3.49Å; S149-G152 PolarHBondContact O-N 3.07Å; S149-I153 WeakPolarHBondContact O-CG1 3.37Å; S149-I153 PolarHBondContact O-N 2.62Å
150S92.5Very high88.8Confident0 Ų059 Ų590%030%0.304CS..Hα-helixtrans-60.5-45.8176.8-60.50000111.6A31 T32 F146 N147 G152 I153 I154A31-S150 WeakPolarHBondContact CB-OG 3.43Å; T32-S150 PolarHBondContact N-OG 3.35Å; T32-S150 PolarHBondContact OG1-OG 2.99Å; F146-S150 WeakPolarHBondContact O-CB 3.31Å; F146-S150 PolarHBondContact O-N 2.85Å; F146-S150 PolarHBondContact O-OG 3.26Å; N147-S150 PolarHBondContact O-N 3.35Å; S150-G152 VanDerWaalsContact C-N 3.29Å; S150-G152 PolarHBondContact O-N 2.98Å; S150-I153 PolarHBondContact O-N 2.9Å; S150-I154 WeakPolarHBondContact O-CG1 3.45Å; S150-I154 PolarHBondContact O-N 3.44Å; S150-I154 VanDerWaalsContact O-N 3.15Å
151C91.8Very high87.2Confident10 Ų1066.2 Ų66.27%0.06834%0.337CS..Hα-helixtrans-61.6-37.4172.6-69.60000112.4N147 A148 S149 I154 R155N147-C151 PolarHBondContact O-N 3.42Å; N147-C151 PolarHBondContact O-SG 3.01Å; N147-C151 VanDerWaalsContact O-SG 3.33Å; A148-C151 PolarHBondContact O-N 3.47Å; S149-C151 PolarHBondContact O-N 3.34Å; C151-I154 PolarHBondContact O-N 3.36Å; C151-R155 WeakPolarHBondContact O-CG 3.4Å; C151-R155 PolarHBondContact O-N 2.83Å
152G90.2Very high87Confident27 Ų2764.6 Ų64.628%0.27833%0.328SS..Hα-helixtrans-62.4-46.2175.500000112.4A148 S149 S150 I154 R155 L156A148-G152 PolarHBondContact O-N 2.45Å; S149-G152 CarbonylContact O-C 3.41Å; S149-G152 WeakPolarHBondContact O-CA 3.49Å; S149-G152 PolarHBondContact O-N 3.07Å; S150-G152 VanDerWaalsContact C-N 3.29Å; S150-G152 PolarHBondContact O-N 2.98Å; G152-I154 VanDerWaalsContact C-N 3.32Å; G152-I154 PolarHBondContact O-N 2.79Å; G152-R155 WeakPolarHBondContact O-CB 3.45Å; G152-R155 PolarHBondContact O-N 3.16Å; G152-R155 VanDerWaalsContact O-N 3.07Å; G152-L156 WeakPolarHBondContact O-CG 3.34Å; G152-L156 PolarHBondContact O-N 2.91Å
153I88.6Confident86.9Confident58 Ų5864.9 Ų64.930%0.29733%0.329SS..Hα-helixtrans-57.3-46.9175.3-68.2165.7000110.3S149 S150 R155 L156 L157S149-I153 WeakPolarHBondContact O-CG1 3.37Å; S149-I153 PolarHBondContact O-N 2.62Å; S150-I153 PolarHBondContact O-N 2.9Å; I153-R155 VanDerWaalsContact C-N 3.29Å; I153-R155 PolarHBondContact O-N 2.83Å; I153-L156 PolarHBondContact O-N 2.99Å; I153-L157 HydrophobicContact CG2-CD1 3.92Å; I153-L157 HydrophobicContact CG2-CG 4.41Å; I153-L157 WeakPolarHBondContact O-CG 3.26Å; I153-L157 PolarHBondContact O-N 2.95Å
154I90.4Very high86.7Confident2 Ų267.9 Ų67.91%0.0135%0.345CS..Hα-helixtrans-58.5-42.6176-64.8172.6000111.1Y27 T28 P86 K87 R88 I89 S150 C151 G152 N158Y27-I154 HydrophobicContact CD1-CD1 3.74Å; Y27-I154 HydrophobicContact CD1-CG1 3.98Å; Y27-I154 HydrophobicContact CE1-CD1 3.94Å; Y27-I154 HydrophobicContact CE1-CG1 3.72Å; T28-I154 WeakPolarHBondContact OG1-CD1 3.4Å; P86-I154 HydrophobicContact CB-CG1 4.44Å; P86-I154 HydrophobicContact CG-CG1 4.04Å; P86-I154 WeakPolarHBondContact O-CG2 3.31Å; K87-I154 WeakPolarHBondContact O-CG2 3.4Å; R88-I154 HydrophobicContact CG-CG2 4.39Å; I89-I154 HydrophobicContact CD1-CD1 4.19Å; I89-I154 HydrophobicContact CG1-CD1 4.44Å; S150-I154 WeakPolarHBondContact O-CG1 3.45Å; S150-I154 PolarHBondContact O-N 3.44Å; S150-I154 VanDerWaalsContact O-N 3.15Å; C151-I154 PolarHBondContact O-N 3.36Å; G152-I154 VanDerWaalsContact C-N 3.32Å; G152-I154 PolarHBondContact O-N 2.79Å; I154-N158 WeakPolarHBondContact O-CB 3.28Å; I154-N158 PolarHBondContact O-N 3.5Å; I154-N158 VanDerWaalsContact O-N 3.17Å; I154-N158 PolarHBondContact O-ND2 3.06Å
155R88.6Confident86.3Confident142 Ų14269.4 Ų69.454%0.53635%0.349SS..Hα-helixtrans-62.8-45.8178.1-74.5175.3-178.6-174.20.5111.3R88 C151 G152 I153 N158 L159R88-R155 HydrophobicContact CG-CG 4.42Å; C151-R155 WeakPolarHBondContact O-CG 3.4Å; C151-R155 PolarHBondContact O-N 2.83Å; G152-R155 WeakPolarHBondContact O-CB 3.45Å; G152-R155 PolarHBondContact O-N 3.16Å; G152-R155 VanDerWaalsContact O-N 3.07Å; I153-R155 VanDerWaalsContact C-N 3.29Å; I153-R155 PolarHBondContact O-N 2.83Å; R155-N158 PolarHBondContact O-N 3.34Å; R155-L159 WeakPolarHBondContact O-CG 3.37Å; R155-L159 PolarHBondContact O-N 3.48Å
156L88.7Confident85.8Confident117 Ų11768.4 Ų68.461%0.61334%0.344SS*.Hα-helixtrans-60.4-45.7178.4-71.8171.6000112.1G152 I153 N158 L159G152-L156 WeakPolarHBondContact O-CG 3.34Å; G152-L156 PolarHBondContact O-N 2.91Å; I153-L156 PolarHBondContact O-N 2.99Å; L156-N158 PolarHBondContact O-N 2.99Å; L156-L159 HydrophobicContact CD2-CD1 4.25Å; L156-L159 PolarHBondContact O-N 3.34Å
157L87.1Confident85.3Confident54 Ų5471.3 Ų71.328%0.28336%0.36SS..Hα-helixtrans-64-30.5178.7-69.8172.2000112.9A81 V82 I153A81-L157 HydrophobicContact CB-CD1 3.54Å; V82-L157 HydrophobicContact CG2-CD2 4.36Å; I153-L157 HydrophobicContact CG2-CD1 3.92Å; I153-L157 HydrophobicContact CG2-CG 4.41Å; I153-L157 WeakPolarHBondContact O-CG 3.26Å; I153-L157 PolarHBondContact O-N 2.95Å
158N85Confident84.7Confident27 Ų2776.4 Ų76.414%0.14439%0.385CS..Hα-helixtrans-87.2-7.8178.4-76-63.3000114.5P86 I154 R155 L156 K160P86-N158 PolarHBondContact O-ND2 2.95Å; I154-N158 WeakPolarHBondContact O-CB 3.28Å; I154-N158 PolarHBondContact O-N 3.5Å; I154-N158 VanDerWaalsContact O-N 3.17Å; I154-N158 PolarHBondContact O-ND2 3.06Å; R155-N158 PolarHBondContact O-N 3.34Å; L156-N158 PolarHBondContact O-N 2.99Å; N158-K160 VanDerWaalsContact C-N 3.27Å; N158-K160 PolarHBondContact O-N 3.05Å
159L79.6Confident84.1Confident113 Ų11378.8 Ų78.859%0.59239%0.386SS*.THydrogen-bonded Turntrans-73.5-17.9176.6-77.7168.8000113R155 L156 K161R155-L159 WeakPolarHBondContact O-CG 3.37Å; R155-L159 PolarHBondContact O-N 3.48Å; L156-L159 HydrophobicContact CD2-CD1 4.25Å; L156-L159 PolarHBondContact O-N 3.34Å; L159-K161 PolarHBondContact O-N 3.07Å
160K62.5Low83.3Confident200 Ų20081.2 Ų81.287%0.8739%0.389SS*.  trans-86.735.8179.9-69-170.8174.5-175.10113.5N158N158-K160 VanDerWaalsContact C-N 3.27Å; N158-K160 PolarHBondContact O-N 3.05Å
161K54.8Low82.5Confident224 Ų22488.5 Ų88.597%0.97442%0.424SS*.  trans-119.10171-81.3-173.9175.9-179.70109L159L159-K161 PolarHBondContact O-N 3.07Å

Retrieved 161 of 161 residues in 36.6 ms (Link to these results)

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