A0A5K4EHB5_SCHMA Loading...

Ras-GAP domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EHB5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 606 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
1M59.5Low83.5Confident176 Ų17679.8 Ų79.887%0.86738%0.379SS*.  0-37.10-78.4-67.5-90.700111F3 F4 N5M1-F3 VanDerWaalsContact C-N 3.34Å; M1-F3 PolarHBondContact O-N 3.37Å; M1-F4 PolarHBondContact O-N 2.95Å; M1-F4 VanDerWaalsContact O-N 3.12Å; M1-N5 PolarHBondContact O-N 3.23Å
2D83.7Confident84.1Confident99 Ų9979.8 Ų79.853%0.52937%0.372SS..Hα-helixtrans-60-38.3-173.2-50.4-57.6000114F4 N5 V6 L64D2-F4 VanDerWaalsContact C-N 3.32Å; D2-F4 PolarHBondContact O-N 3.31Å; D2-N5 WeakPolarHBondContact O-CB 3.41Å; D2-N5 PolarHBondContact O-N 3.2Å; D2-V6 PolarHBondContact O-N 3.33Å; D2-L64 HydrophobicContact CB-CD1 4.18Å; D2-L64 HydrophobicContact CB-CD2 3.97Å
3F87.2Confident84.6Confident22 Ų2282.6 Ų82.610%0.09640%0.399CS..Hα-helixtrans-51.7-47.6174170.7-101.3000112.8M1 N5 V6 I7 V15 L19 F50 I61 L65M1-F3 VanDerWaalsContact C-N 3.34Å; M1-F3 PolarHBondContact O-N 3.37Å; F3-N5 VanDerWaalsContact C-N 3.26Å; F3-N5 PolarHBondContact O-N 3.32Å; F3-V6 PolarHBondContact O-N 2.7Å; F3-I7 HydrophobicContact CD1-CD1 4.08Å; F3-I7 HydrophobicContact CE1-CD1 3.49Å; F3-I7 VanDerWaalsContact CE1-CD1 3.49Å; F3-I7 HydrophobicContact CE1-CG1 4.49Å; F3-I7 HydrophobicContact CE2-CD1 4.47Å; F3-I7 HydrophobicContact CZ-CD1 3.71Å; F3-I7 HydrophobicContact CZ-CG1 4.47Å; F3-V15 HydrophobicContact CE1-CG1 4.43Å; F3-L19 HydrophobicContact CE1-CD1 3.99Å; F3-F50 HydrophobicContact CZ-CE1 4.42Å; F3-F50 HydrophobicContact CZ-CZ 4.12Å; F3-I61 HydrophobicContact CD2-CG2 3.89Å; F3-I61 HydrophobicContact CE2-CG2 3.55Å; F3-L65 HydrophobicContact CD2-CD2 3.76Å; F3-L65 HydrophobicContact CD2-CG 4.1Å; F3-L65 HydrophobicContact CE2-CD1 4.22Å; F3-L65 HydrophobicContact CE2-CD2 3.61Å; F3-L65 HydrophobicContact CE2-CG 4Å; F3-L65 HydrophobicContact CZ-CD2 4.38Å
4F87Confident85.1Confident58 Ų5880.9 Ų80.925%0.25440%0.4SS..Hα-helixtrans-69.2-25.3-179.9-65.2-67.7000112.7M1 D2 V6 I7 R12 V15 L19M1-F4 PolarHBondContact O-N 2.95Å; M1-F4 VanDerWaalsContact O-N 3.12Å; D2-F4 VanDerWaalsContact C-N 3.32Å; D2-F4 PolarHBondContact O-N 3.31Å; F4-V6 VanDerWaalsContact C-N 3.27Å; F4-V6 PolarHBondContact O-N 3.27Å; F4-I7 HydrophobicContact CD1-CD1 4.17Å; F4-I7 PolarHBondContact O-N 2.87Å; F4-R12 VanDerWaalsContact O-CD 3.3Å; F4-R12 WeakPolarHBondContact O-CD 3.5Å; F4-R12 WeakPolarHBondContact O-CG 3.49Å; F4-R12 PolarHBondContact O-NE 2.72Å; F4-V15 HydrophobicContact CE1-CG1 4.25Å; F4-L19 HydrophobicContact CE1-CD1 4.05Å; F4-L19 HydrophobicContact CZ-CD1 4.17Å
5N86.8Confident85.6Confident87 Ų8775.5 Ų75.547%0.46537%0.373SS..Hα-helixtrans-70.6-24177-67.5-26.3000112.3M1 D2 F3 R12M1-N5 PolarHBondContact O-N 3.23Å; D2-N5 WeakPolarHBondContact O-CB 3.41Å; D2-N5 PolarHBondContact O-N 3.2Å; F3-N5 VanDerWaalsContact C-N 3.26Å; F3-N5 PolarHBondContact O-N 3.32Å; N5-R12 PolarHBondContact O-NH2 3.43Å
6V87.1Confident86.1Confident27 Ų2773.8 Ų73.816%0.16437%0.37CS..Hα-helixtrans-90.1-17.6178.9-165.80000112.4D2 F3 F4 L57 Q60 I61 L64D2-V6 PolarHBondContact O-N 3.33Å; F3-V6 PolarHBondContact O-N 2.7Å; F4-V6 VanDerWaalsContact C-N 3.27Å; F4-V6 PolarHBondContact O-N 3.27Å; V6-L57 HydrophobicContact CG1-CB 4.38Å; V6-L57 HydrophobicContact CG1-CD2 3.97Å; V6-Q60 HydrophobicContact CG1-CB 4.02Å; V6-I61 HydrophobicContact CB-CD1 4.4Å; V6-I61 HydrophobicContact CB-CG1 3.79Å; V6-I61 HydrophobicContact CG1-CD1 4.11Å; V6-I61 HydrophobicContact CG1-CG1 3.58Å; V6-L64 HydrophobicContact CG2-CD1 3.68Å
7I86.5Confident86.6Confident0 Ų073 Ų730%037%0.373CS..SBendtrans-69139.9173.9-65178.4000110.2F3 F4 F9 D11 R12 V15F3-I7 HydrophobicContact CD1-CD1 4.08Å; F3-I7 HydrophobicContact CE1-CD1 3.49Å; F3-I7 VanDerWaalsContact CE1-CD1 3.49Å; F3-I7 HydrophobicContact CE1-CG1 4.49Å; F3-I7 HydrophobicContact CE2-CD1 4.47Å; F3-I7 HydrophobicContact CZ-CD1 3.71Å; F3-I7 HydrophobicContact CZ-CG1 4.47Å; F4-I7 HydrophobicContact CD1-CD1 4.17Å; F4-I7 PolarHBondContact O-N 2.87Å; I7-F9 PolarHBondContact O-N 3Å; I7-D11 HydrophobicContact CG2-CB 4.05Å; I7-R12 HydrophobicContact CB-CG 4.13Å; I7-R12 HydrophobicContact CG2-CG 4.08Å; I7-R12 PolarHBondContact O-NE 3.49Å; I7-V15 HydrophobicContact CD1-CB 4.13Å; I7-V15 HydrophobicContact CD1-CG1 3.66Å; I7-V15 HydrophobicContact CD1-CG2 4.32Å; I7-V15 HydrophobicContact CG2-CG2 4.36Å
8P83.3Confident87.2Confident40 Ų4069.3 Ų69.326%0.2636%0.355SS..  trans-50132.7173.6-2835000112.2R10 D11 R12P8-R10 PolarHBondContact O-N 3.44Å; P8-R10 VanDerWaalsContact O-N 3.07Å; P8-D11 PolarHBondContact O-N 3.36Å; P8-R12 PolarHBondContact O-N 3.14Å
9F83.4Confident87.6Confident169 Ų16966.3 Ų66.374%0.74134%0.34SS*.G310 helixtrans-49.3-43.6-170.5-179.2-98.7000113.7I7 D11 R12I7-F9 PolarHBondContact O-N 3Å; F9-D11 PolarHBondContact O-N 2.92Å; F9-R12 PolarHBondContact O-N 3.44Å
10R87.1Confident88Confident179 Ų17966.6 Ų66.668%0.67535%0.345SS*.G310 helixtrans-62.2-26-179.672.5-179-178.9-171.9-5.2114.3P8P8-R10 PolarHBondContact O-N 3.44Å; P8-R10 VanDerWaalsContact O-N 3.07Å
11D87.5Confident88.3Confident21 Ų2167.1 Ų67.111%0.11235%0.345CS..G310 helixtrans-99.3-14.3-172.5-60.7-55.5000111.8I7 P8 F9 T13 S14 V15 V49I7-D11 HydrophobicContact CG2-CB 4.05Å; P8-D11 PolarHBondContact O-N 3.36Å; F9-D11 PolarHBondContact O-N 2.92Å; D11-T13 PolarHBondContact O-N 2.71Å; D11-S14 PolarHBondContact O-N 2.74Å; D11-V15 WeakPolarHBondContact O-CG2 3.32Å; D11-V15 PolarHBondContact O-N 3.08Å; D11-V49 HydrophobicContact CB-CG1 3.84Å; D11-V49 HydrophobicContact CB-CG2 4.3Å
12R90.9Very high90.1Very high79 Ų7958.7 Ų58.730%0.29830%0.304SS..Hα-helixtrans-55.9-49.6-173.2-68.5-177.9-176.6177-1.4113.8F4 N5 I7 P8 F9 V15 S16F4-R12 VanDerWaalsContact O-CD 3.3Å; F4-R12 WeakPolarHBondContact O-CD 3.5Å; F4-R12 WeakPolarHBondContact O-CG 3.49Å; F4-R12 PolarHBondContact O-NE 2.72Å; N5-R12 PolarHBondContact O-NH2 3.43Å; I7-R12 HydrophobicContact CB-CG 4.13Å; I7-R12 HydrophobicContact CG2-CG 4.08Å; I7-R12 PolarHBondContact O-NE 3.49Å; P8-R12 PolarHBondContact O-N 3.14Å; F9-R12 PolarHBondContact O-N 3.44Å; R12-V15 PolarHBondContact O-N 2.79Å; R12-S16 VanDerWaalsContact O-CB 3.32Å; R12-S16 WeakPolarHBondContact O-CB 3.4Å; R12-S16 PolarHBondContact O-N 3.3Å
13T90.5Very high90.6Very high117 Ų11760.2 Ų60.272%0.71830%0.302SS*.Hα-helixtrans-64.8-43.4-178.7-520000111D11 S16 S17D11-T13 PolarHBondContact O-N 2.71Å; T13-S16 PolarHBondContact O-N 2.85Å; T13-S17 WeakPolarHBondContact O-CB 3.5Å; T13-S17 PolarHBondContact O-N 3.49Å
14S90.9Very high90.9Very high59 Ų5965.1 Ų65.141%0.41333%0.33SS..Hα-helixtrans-63.4-46.3178.2176.60000111.3D11 S17 T18D11-S14 PolarHBondContact O-N 2.74Å; S14-S17 PolarHBondContact O-N 3.18Å; S14-T18 VanDerWaalsContact O-CB 3.32Å; S14-T18 WeakPolarHBondContact O-CB 3.21Å; S14-T18 PolarHBondContact O-N 3.27Å; S14-T18 PolarHBondContact O-OG1 3.01Å
15V93.7Very high91.2Very high0 Ų064.3 Ų64.30%033%0.331CS..Hα-helixtrans-63.4-45.6178174.10000111.2F3 F4 I7 D11 R12 T18 L19 L46 V49F3-V15 HydrophobicContact CE1-CG1 4.43Å; F4-V15 HydrophobicContact CE1-CG1 4.25Å; I7-V15 HydrophobicContact CD1-CB 4.13Å; I7-V15 HydrophobicContact CD1-CG1 3.66Å; I7-V15 HydrophobicContact CD1-CG2 4.32Å; I7-V15 HydrophobicContact CG2-CG2 4.36Å; D11-V15 WeakPolarHBondContact O-CG2 3.32Å; D11-V15 PolarHBondContact O-N 3.08Å; R12-V15 PolarHBondContact O-N 2.79Å; V15-T18 PolarHBondContact O-N 3.08Å; V15-L19 HydrophobicContact CG1-CD1 3.7Å; V15-L19 HydrophobicContact CG1-CG 4.14Å; V15-L19 WeakPolarHBondContact O-CB 3.5Å; V15-L19 VanDerWaalsContact O-CG 3.29Å; V15-L19 WeakPolarHBondContact O-CG 3.32Å; V15-L19 PolarHBondContact O-N 3.08Å; V15-L46 HydrophobicContact CB-CD2 4.26Å; V15-L46 HydrophobicContact CG1-CD2 3.84Å; V15-L46 HydrophobicContact CG2-CD2 4.14Å; V15-V49 HydrophobicContact CG2-CB 4.29Å; V15-V49 HydrophobicContact CG2-CG1 3.91Å; V15-V49 HydrophobicContact CG2-CG2 4.09Å
16S93.6Very high91.6Very high47 Ų4760.8 Ų60.833%0.32931%0.312SS..Hα-helixtrans-60.7-46.5179-175.80000112.3R12 T13 L19 T20R12-S16 VanDerWaalsContact O-CB 3.32Å; R12-S16 WeakPolarHBondContact O-CB 3.4Å; R12-S16 PolarHBondContact O-N 3.3Å; T13-S16 PolarHBondContact O-N 2.85Å; S16-L19 PolarHBondContact O-N 3.4Å; S16-T20 WeakPolarHBondContact O-CB 3.21Å; S16-T20 PolarHBondContact O-N 2.9Å; S16-T20 PolarHBondContact O-OG1 2.68Å
17S94.8Very high91.8Very high61 Ų6164 Ų6443%0.42733%0.329SS..Hα-helixtrans-59.8-49.2175.6-168.20000111.1T13 S14 L19 T20 E21T13-S17 WeakPolarHBondContact O-CB 3.5Å; T13-S17 PolarHBondContact O-N 3.49Å; S14-S17 PolarHBondContact O-N 3.18Å; S17-L19 PolarHBondContact O-N 3.18Å; S17-T20 WeakPolarHBondContact O-CB 3.4Å; S17-T20 PolarHBondContact O-N 3.24Å; S17-E21 WeakPolarHBondContact O-CG 3.27Å; S17-E21 PolarHBondContact O-N 2.96Å; S17-E21 PolarHBondContact OG-OE1 3.33Å
18T96.3Very high92Very high6 Ų668 Ų684%0.03735%0.35CS..Hα-helixtrans-62-43.5-177.7-53.40000111.7S14 V15 E21 I22 K42 L46S14-T18 VanDerWaalsContact O-CB 3.32Å; S14-T18 WeakPolarHBondContact O-CB 3.21Å; S14-T18 PolarHBondContact O-N 3.27Å; S14-T18 PolarHBondContact O-OG1 3.01Å; V15-T18 PolarHBondContact O-N 3.08Å; T18-E21 PolarHBondContact O-N 3.03Å; T18-I22 HydrophobicContact CG2-CD1 4.2Å; T18-I22 VanDerWaalsContact O-CG1 3.31Å; T18-I22 WeakPolarHBondContact O-CG1 3.38Å; T18-I22 PolarHBondContact O-N 3.23Å; T18-K42 HydrophobicContact CG2-CB 3.68Å; T18-K42 HydrophobicContact CG2-CG 4.17Å; T18-L46 HydrophobicContact CG2-CD1 4.23Å; T18-L46 HydrophobicContact CG2-CD2 4.06Å; T18-L46 HydrophobicContact CG2-CG 3.84Å
19L95.9Very high92.5Very high13 Ų1369.3 Ų69.37%0.06836%0.357CS..Hα-helixtrans-66.6-36.9177.2-71.6176.2000112.6F3 F4 V15 S16 S17 E21 I22 R23 L46 I82F3-L19 HydrophobicContact CE1-CD1 3.99Å; F4-L19 HydrophobicContact CE1-CD1 4.05Å; F4-L19 HydrophobicContact CZ-CD1 4.17Å; V15-L19 HydrophobicContact CG1-CD1 3.7Å; V15-L19 HydrophobicContact CG1-CG 4.14Å; V15-L19 WeakPolarHBondContact O-CB 3.5Å; V15-L19 VanDerWaalsContact O-CG 3.29Å; V15-L19 WeakPolarHBondContact O-CG 3.32Å; V15-L19 PolarHBondContact O-N 3.08Å; S16-L19 PolarHBondContact O-N 3.4Å; S17-L19 PolarHBondContact O-N 3.18Å; L19-E21 VanDerWaalsContact C-N 3.34Å; L19-I22 PolarHBondContact O-N 3.13Å; L19-R23 WeakPolarHBondContact O-CB 3.45Å; L19-R23 PolarHBondContact O-N 3.35Å; L19-L46 HydrophobicContact CD2-CD1 3.57Å; L19-L46 HydrophobicContact CD2-CD2 4.43Å; L19-L46 HydrophobicContact CG-CD1 4.3Å; L19-L46 HydrophobicContact CG-CD2 4.36Å; L19-I82 HydrophobicContact CD2-CD1 4.48Å; L19-I82 HydrophobicContact CD2-CG2 4.21Å
20T94.5Very high93Very high72 Ų7261.4 Ų61.444%0.44232%0.322SS..Hα-helixtrans-62.9-44.6175.1-58.30000110.6S16 S17 R23 N24S16-T20 WeakPolarHBondContact O-CB 3.21Å; S16-T20 PolarHBondContact O-N 2.9Å; S16-T20 PolarHBondContact O-OG1 2.68Å; S17-T20 WeakPolarHBondContact O-CB 3.4Å; S17-T20 PolarHBondContact O-N 3.24Å; T20-R23 WeakPolarHBondContact O-CB 3.44Å; T20-R23 PolarHBondContact O-N 2.59Å; T20-N24 PolarHBondContact O-N 2.96Å; T20-N24 PolarHBondContact O-ND2 3.27Å; T20-N24 PolarHBondContact O-OD1 3.31Å
21E95.6Very high93.2Very high77 Ų7754.8 Ų54.836%0.3630%0.303SS..Hα-helixtrans-67.8-37.5177.6-70.1176.9-143.900113.6S17 T18 L19 N24 S25 K42S17-E21 WeakPolarHBondContact O-CG 3.27Å; S17-E21 PolarHBondContact O-N 2.96Å; S17-E21 PolarHBondContact OG-OE1 3.33Å; T18-E21 PolarHBondContact O-N 3.03Å; L19-E21 VanDerWaalsContact C-N 3.34Å; E21-N24 PolarHBondContact O-N 3.35Å; E21-S25 PolarHBondContact O-N 3.05Å; E21-S25 PolarHBondContact O-OG 2.97Å; E21-K42 HydrophobicContact CB-CD 4.05Å; E21-K42 WeakPolarHBondContact OE2-CE 3.37Å; E21-K42 IonicContact OE2-NZ 2.69Å; E21-K42 PolarHBondContact OE2-NZ 3.04Å
22I96.1Very high93.2Very high0 Ų058.8 Ų58.80%032%0.324CS..Hα-helixtrans-60.7-49.1171.9-73.1172.5000109T18 L19 N24 S25 L26 F39 K42 L46 I82 L85T18-I22 HydrophobicContact CG2-CD1 4.2Å; T18-I22 VanDerWaalsContact O-CG1 3.31Å; T18-I22 WeakPolarHBondContact O-CG1 3.38Å; T18-I22 PolarHBondContact O-N 3.23Å; L19-I22 PolarHBondContact O-N 3.13Å; I22-N24 VanDerWaalsContact C-N 3.28Å; I22-N24 PolarHBondContact O-N 3.11Å; I22-S25 WeakPolarHBondContact O-CA 3.37Å; I22-S25 WeakPolarHBondContact O-CB 3.44Å; I22-S25 PolarHBondContact O-N 3.25Å; I22-L26 HydrophobicContact CG2-CD1 4.35Å; I22-L26 WeakPolarHBondContact O-CG 3.03Å; I22-F39 HydrophobicContact CG2-CE2 3.81Å; I22-F39 HydrophobicContact CG2-CZ 4.43Å; I22-K42 HydrophobicContact CD1-CB 4.05Å; I22-K42 HydrophobicContact CG1-CB 3.94Å; I22-K42 HydrophobicContact CG1-CD 4.22Å; I22-L46 HydrophobicContact CD1-CD1 3.54Å; I22-I82 HydrophobicContact CB-CD1 4.11Å; I22-I82 HydrophobicContact CG2-CD1 3.49Å; I22-I82 VanDerWaalsContact CG2-CD1 3.49Å; I22-L85 HydrophobicContact CG2-CD1 4.33Å
23R94.3Very high92.8Very high130 Ų13061.1 Ų61.149%0.49135%0.347SS..Hα-helixtrans-56.1-41.9179.2-177.5-175.4175.9-167.3-1112.3L19 T20 S25 L26 I82L19-R23 WeakPolarHBondContact O-CB 3.45Å; L19-R23 PolarHBondContact O-N 3.35Å; T20-R23 WeakPolarHBondContact O-CB 3.44Å; T20-R23 PolarHBondContact O-N 2.59Å; R23-S25 PolarHBondContact O-N 3.01Å; R23-L26 PolarHBondContact O-N 3.2Å; R23-I82 HydrophobicContact CB-CD1 4.19Å; R23-I82 HydrophobicContact CB-CG1 4.33Å
24N93.5Very high92.7Very high126 Ų12658 Ų5867%0.67433%0.326SS*.THydrogen-bonded Turntrans-67.3-12.3178.4-66.4-13.9000113.7T20 E21 I22T20-N24 PolarHBondContact O-N 2.96Å; T20-N24 PolarHBondContact O-ND2 3.27Å; T20-N24 PolarHBondContact O-OD1 3.31Å; E21-N24 PolarHBondContact O-N 3.35Å; I22-N24 VanDerWaalsContact C-N 3.28Å; I22-N24 PolarHBondContact O-N 3.11Å
25S92.9Very high92.7Very high41 Ų4159.8 Ų59.829%0.28734%0.336SS..THydrogen-bonded Turntrans-99.90.1178.6-48.10000113E21 I22 R23 I220E21-S25 PolarHBondContact O-N 3.05Å; E21-S25 PolarHBondContact O-OG 2.97Å; I22-S25 WeakPolarHBondContact O-CA 3.37Å; I22-S25 WeakPolarHBondContact O-CB 3.44Å; I22-S25 PolarHBondContact O-N 3.25Å; R23-S25 PolarHBondContact O-N 3.01Å; S25-I220 WeakPolarHBondContact O-CG2 3.46Å
26L94.6Very high92.6Very high12 Ų1260.3 Ų60.36%0.06334%0.339CS..  trans-101.1125.7-174.5-68.5174000111.1I22 R23 F39 P78 C81 I82 L137 A219 I220I22-L26 HydrophobicContact CG2-CD1 4.35Å; I22-L26 WeakPolarHBondContact O-CG 3.03Å; R23-L26 PolarHBondContact O-N 3.2Å; L26-F39 HydrophobicContact CD2-CE2 4.48Å; L26-P78 HydrophobicContact CB-CB 4.31Å; L26-C81 HydrophobicContact CD1-CB 4.03Å; L26-I82 HydrophobicContact CD1-CD1 4Å; L26-I82 HydrophobicContact CD1-CG1 4.08Å; L26-L137 HydrophobicContact CB-CD1 3.99Å; L26-L137 HydrophobicContact CD2-CD1 4.42Å; L26-L137 HydrophobicContact CD2-CD2 4.01Å; L26-A219 HydrophobicContact CD2-CB 4.17Å; L26-I220 HydrophobicContact CD2-CG2 3.76Å
27D92.3Very high92.4Very high96 Ų9660.5 Ų60.551%0.51334%0.343SS..  trans-113.8142.5171.6-66.2-52.2000109.7V29 L137D27-V29 WeakPolarHBondContact CB-O 3.22Å; D27-V29 PolarHBondContact O-N 3.19Å; D27-L137 WeakPolarHBondContact O-CD1 3.32Å; D27-L137 WeakPolarHBondContact O-CG 3.44Å
28D90.9Very high92.3Very high84 Ų8461.1 Ų61.145%0.44935%0.346SS..SBendtrans-51.9-41.4179.3-84.9-40.2000112.8N77 P78 S136 L137D28-N77 VanDerWaalsContact OD1-CB 3.25Å; D28-N77 WeakPolarHBondContact OD1-CB 3.3Å; D28-N77 PolarHBondContact OD1-ND2 3.09Å; D28-P78 VanDerWaalsContact OD1-CD 3.31Å; D28-P78 WeakPolarHBondContact OD1-CD 3.43Å; D28-S136 WeakPolarHBondContact O-CA 3.36Å; D28-L137 PolarHBondContact O-N 3.19Å
29V93.8Very high92.3Very high66 Ų6661 Ų6140%0.435%0.345SS..BIsolated β-bridgetrans-99.2121.3172.8178.90000108.3D27 P31 L134D27-V29 WeakPolarHBondContact CB-O 3.22Å; D27-V29 PolarHBondContact O-N 3.19Å; V29-P31 WeakPolarHBondContact O-CD 3.47Å; V29-L134 HydrophobicContact CG1-CB 3.59Å; V29-L134 HydrophobicContact CG1-CD1 3.7Å; V29-L134 HydrophobicContact CG1-CG 4.29Å
30I94.5Very high92.1Very high3 Ų360.6 Ų60.62%0.01534%0.343CS..PPolyproline II helixtrans-76121.6-175.2-57.2164.8000108.4P135 L137 W140 P186 S218I30-P135 HydrophobicContact CB-CB 4.2Å; I30-P135 HydrophobicContact CD1-CB 4.21Å; I30-P135 PolarHBondContact N-O 3.42Å; I30-L137 HydrophobicContact CD1-CD2 4.38Å; I30-L137 HydrophobicContact CG1-CD2 4.12Å; I30-L137 HydrophobicContact CG1-CG 4.42Å; I30-W140 HydrophobicContact CD1-CB 4.11Å; I30-P186 HydrophobicContact CD1-CG 3.94Å; I30-S218 WeakPolarHBondContact CD1-O 3.37Å
31P91Very high92Very high41 Ų4160 Ų6027%0.26634%0.342SS..PPolyproline II helixtrans-68.7153-178.327.9-35000111.8V29 T33 N34 I220 S221 S222V29-P31 WeakPolarHBondContact O-CD 3.47Å; P31-T33 VanDerWaalsContact C-N 3.31Å; P31-T33 PolarHBondContact O-N 3.29Å; P31-N34 HydrophobicContact CG-CB 3.95Å; P31-I220 WeakPolarHBondContact CD-O 3.46Å; P31-I220 WeakPolarHBondContact CG-O 3.45Å; P31-S221 CarbonylContact O-C 3.59Å; P31-S221 WeakPolarHBondContact O-CA 3.49Å; P31-S222 PolarHBondContact O-N 2.96Å
32N85.8Confident92Very high105 Ų10558.1 Ų58.156%0.56133%0.332SS*.SBendtrans-64.4-37.5-179.9-74.4-25.2000112.3S222N32-S222 PolarHBondContact O-OG 3.08Å
33T83.1Confident91.8Very high128 Ų12858.4 Ų58.479%0.78533%0.334SS*.SBendtrans-138.3106.2-174.553.10000110.4P31P31-T33 VanDerWaalsContact C-N 3.31Å; P31-T33 PolarHBondContact O-N 3.29Å
34N89.5Confident91.6Very high51 Ų5157.1 Ų57.127%0.27333%0.329SS..  trans-134.5139.5173-159.1-2.3000109P31 I36 I220P31-N34 HydrophobicContact CG-CB 3.95Å; N34-I36 WeakPolarHBondContact O-CG2 3.47Å; N34-I36 PolarHBondContact O-N 3.34Å; N34-I36 VanDerWaalsContact O-N 3.11Å; N34-I220 WeakPolarHBondContact CB-O 3.2Å; N34-I220 PolarHBondContact ND2-O 3.14Å; N34-I220 VanDerWaalsContact ND2-O 3.13Å
35P89.2Confident91.4Very high96 Ų9655.4 Ų55.462%0.62332%0.317SS*.  trans-56.4113.4173.220.1-36.2000113.1
36I91.7Very high91.3Very high12 Ų1253.5 Ų53.56%0.06230%0.304CS..  trans-87.3-19.2-178.464.5173.1000114.7N34 F39 I40 I220 N223 I226N34-I36 WeakPolarHBondContact O-CG2 3.47Å; N34-I36 PolarHBondContact O-N 3.34Å; N34-I36 VanDerWaalsContact O-N 3.11Å; I36-F39 PolarHBondContact O-N 3.07Å; I36-I40 HydrophobicContact CB-CD1 4.07Å; I36-I40 HydrophobicContact CD1-CD1 3.78Å; I36-I40 HydrophobicContact CG1-CD1 3.9Å; I36-I40 WeakPolarHBondContact O-CG1 3.35Å; I36-I40 PolarHBondContact O-N 3.05Å; I36-I220 HydrophobicContact CG2-CD1 4.28Å; I36-I220 HydrophobicContact CG2-CG1 4.41Å; I36-N223 WeakPolarHBondContact CG2-OD1 3.49Å; I36-I226 HydrophobicContact CD1-CD1 3.35Å; I36-I226 HydrophobicContact CG1-CD1 4.49Å
37A91.1Very high91Very high50 Ų5055.2 Ų55.241%0.41331%0.312SS..Hα-helixtrans-62.1-45.6-172.400000113.4F39 I40 S41A37-F39 VanDerWaalsContact C-N 3.32Å; A37-F39 PolarHBondContact O-N 3.45Å; A37-I40 PolarHBondContact O-N 3.08Å; A37-S41 PolarHBondContact O-N 3.02Å; A37-S41 VanDerWaalsContact O-N 3.11Å
38P92.5Very high90.6Very high74 Ų7455.3 Ų55.348%0.48131%0.311SS..Hα-helixtrans-63-38.9176.1-21.634.4000112.3S41 K42P38-S41 WeakPolarHBondContact O-CB 3.15Å; P38-S41 PolarHBondContact O-N 3.45Å; P38-K42 WeakPolarHBondContact O-CG 3.2Å; P38-K42 PolarHBondContact O-N 3.31Å
39F94.7Very high90.3Very high5 Ų551.9 Ų51.92%0.02229%0.293CS..Hα-helixtrans-64.4-48178.2-178.2-89.9000111.9I22 L26 I36 A37 S41 K42 V43 L85 F216 A219 I220I22-F39 HydrophobicContact CG2-CE2 3.81Å; I22-F39 HydrophobicContact CG2-CZ 4.43Å; L26-F39 HydrophobicContact CD2-CE2 4.48Å; I36-F39 PolarHBondContact O-N 3.07Å; A37-F39 VanDerWaalsContact C-N 3.32Å; A37-F39 PolarHBondContact O-N 3.45Å; F39-S41 VanDerWaalsContact C-N 3.26Å; F39-S41 PolarHBondContact O-N 3.46Å; F39-K42 WeakPolarHBondContact O-CB 3.49Å; F39-K42 PolarHBondContact O-N 2.65Å; F39-V43 HydrophobicContact CD1-CG2 3.85Å; F39-V43 HydrophobicContact CE1-CG2 3.52Å; F39-V43 HydrophobicContact CZ-CG2 4.09Å; F39-V43 WeakPolarHBondContact O-CG2 3.43Å; F39-V43 PolarHBondContact O-N 3.26Å; F39-L85 HydrophobicContact CZ-CD1 4.09Å; F39-F216 WeakPolarHBondContact CE1-O 3.44Å; F39-A219 HydrophobicContact CZ-CB 4.3Å; F39-I220 HydrophobicContact CB-CD1 3.37Å; F39-I220 HydrophobicContact CB-CG1 4.31Å; F39-I220 HydrophobicContact CD1-CD1 4.2Å; F39-I220 HydrophobicContact CD1-CG1 4.25Å; F39-I220 HydrophobicContact CD2-CD1 3.86Å; F39-I220 HydrophobicContact CD2-CG1 4.15Å; F39-I220 HydrophobicContact CD2-CG2 3.7Å; F39-I220 HydrophobicContact CE2-CG2 3.56Å; F39-I220 HydrophobicContact CG-CD1 3.56Å; F39-I220 HydrophobicContact CG-CG1 3.99Å; F39-I220 HydrophobicContact CG-CG2 4.39Å; F39-I220 HydrophobicContact CZ-CG2 4.19Å
40I92.2Very high89.9Confident3 Ų348.7 Ų48.72%0.01527%0.274CS..Hα-helixtrans-59.4-39.6177.6-71.6164.8000111I36 A37 K42 V43 R44 R209 D213I36-I40 HydrophobicContact CB-CD1 4.07Å; I36-I40 HydrophobicContact CD1-CD1 3.78Å; I36-I40 HydrophobicContact CG1-CD1 3.9Å; I36-I40 WeakPolarHBondContact O-CG1 3.35Å; I36-I40 PolarHBondContact O-N 3.05Å; A37-I40 PolarHBondContact O-N 3.08Å; I40-K42 VanDerWaalsContact C-N 3.27Å; I40-K42 PolarHBondContact O-N 3.13Å; I40-V43 PolarHBondContact O-N 2.73Å; I40-R44 HydrophobicContact CG2-CG 4.39Å; I40-R44 WeakPolarHBondContact O-CG 3.41Å; I40-R44 PolarHBondContact O-N 3.17Å; I40-R209 VanDerWaalsContact CD1-NH1 3.27Å; I40-D213 HydrophobicContact CD1-CB 3.96Å; I40-D213 HydrophobicContact CG1-CB 4.38Å; I40-D213 HydrophobicContact CG2-CB 4.37Å; I40-D213 VanDerWaalsContact CG2-OD1 3.31Å; I40-D213 WeakPolarHBondContact CG2-OD1 3.35Å
41S92.6Very high89Confident61 Ų6151.7 Ų51.743%0.42729%0.289SS..Hα-helixtrans-57.7-41.3175.1-172.60000112.1A37 P38 F39 R44 Q45A37-S41 PolarHBondContact O-N 3.02Å; A37-S41 VanDerWaalsContact O-N 3.11Å; P38-S41 WeakPolarHBondContact O-CB 3.15Å; P38-S41 PolarHBondContact O-N 3.45Å; F39-S41 VanDerWaalsContact C-N 3.26Å; F39-S41 PolarHBondContact O-N 3.46Å; S41-R44 PolarHBondContact O-N 3.47Å; S41-Q45 WeakPolarHBondContact O-CG 3.24Å; S41-Q45 PolarHBondContact O-N 3.03Å
42K94.8Very high88.3Confident36 Ų3657.2 Ų57.216%0.15730%0.304CS..Hα-helixtrans-70.1-41.3178.2-65.8176.2-160.1-167.40112.1T18 E21 I22 P38 F39 I40 R44 Q45 L46T18-K42 HydrophobicContact CG2-CB 3.68Å; T18-K42 HydrophobicContact CG2-CG 4.17Å; E21-K42 HydrophobicContact CB-CD 4.05Å; E21-K42 WeakPolarHBondContact OE2-CE 3.37Å; E21-K42 IonicContact OE2-NZ 2.69Å; E21-K42 PolarHBondContact OE2-NZ 3.04Å; I22-K42 HydrophobicContact CD1-CB 4.05Å; I22-K42 HydrophobicContact CG1-CB 3.94Å; I22-K42 HydrophobicContact CG1-CD 4.22Å; P38-K42 WeakPolarHBondContact O-CG 3.2Å; P38-K42 PolarHBondContact O-N 3.31Å; F39-K42 WeakPolarHBondContact O-CB 3.49Å; F39-K42 PolarHBondContact O-N 2.65Å; I40-K42 VanDerWaalsContact C-N 3.27Å; I40-K42 PolarHBondContact O-N 3.13Å; K42-R44 VanDerWaalsContact C-N 3.3Å; K42-R44 PolarHBondContact O-N 3.47Å; K42-Q45 WeakPolarHBondContact O-CB 3.36Å; K42-Q45 PolarHBondContact O-N 2.98Å; K42-L46 PolarHBondContact O-N 3.09Å; K42-L46 VanDerWaalsContact O-N 3.07Å
43V92.9Very high87.9Confident6 Ų652.4 Ų52.44%0.03628%0.279CS..Hα-helixtrans-58.2-44.8173.6174.10000110.7F39 I40 Q45 L46 Q47 L85 L89 F216F39-V43 HydrophobicContact CD1-CG2 3.85Å; F39-V43 HydrophobicContact CE1-CG2 3.52Å; F39-V43 HydrophobicContact CZ-CG2 4.09Å; F39-V43 WeakPolarHBondContact O-CG2 3.43Å; F39-V43 PolarHBondContact O-N 3.26Å; I40-V43 PolarHBondContact O-N 2.73Å; V43-Q45 PolarHBondContact O-N 3.34Å; V43-L46 PolarHBondContact O-N 3.28Å; V43-Q47 WeakPolarHBondContact O-CB 3.27Å; V43-Q47 PolarHBondContact O-N 3.13Å; V43-L85 HydrophobicContact CG2-CD1 4.25Å; V43-L89 HydrophobicContact CG1-CD1 4.22Å; V43-L89 HydrophobicContact CG1-CD2 3.94Å; V43-F216 HydrophobicContact CG1-CB 4.21Å; V43-F216 HydrophobicContact CG1-CD1 4.34Å; V43-F216 HydrophobicContact CG1-CD2 4.17Å; V43-F216 HydrophobicContact CG1-CG 3.99Å; V43-F216 HydrophobicContact CG2-CB 4.46Å
44R89.6Confident87.5Confident104 Ų10449.9 Ų49.939%0.39227%0.265SS..Hα-helixtrans-64.8-36.4176.8-71175.7-176.7-174.5-1.6112.8I40 S41 K42 Q47 L48 D213I40-R44 HydrophobicContact CG2-CG 4.39Å; I40-R44 WeakPolarHBondContact O-CG 3.41Å; I40-R44 PolarHBondContact O-N 3.17Å; S41-R44 PolarHBondContact O-N 3.47Å; K42-R44 VanDerWaalsContact C-N 3.3Å; K42-R44 PolarHBondContact O-N 3.47Å; R44-Q47 WeakPolarHBondContact O-CB 3.32Å; R44-Q47 PolarHBondContact O-N 3.27Å; R44-L48 WeakPolarHBondContact O-CG 3.2Å; R44-L48 PolarHBondContact O-N 3.48Å; R44-D213 IonicContact CZ-OD1 3.77Å; R44-D213 IonicContact CZ-OD2 3Å; R44-D213 IonicContact NE-OD1 2.62Å; R44-D213 PolarHBondContact NE-OD1 3.29Å; R44-D213 VanDerWaalsContact NH2-CG 3.34Å; R44-D213 IonicContact NH2-OD1 2.73Å; R44-D213 PolarHBondContact NH2-OD1 2.69Å; R44-D213 IonicContact NH2-OD2 2.68Å; R44-D213 PolarHBondContact NH2-OD2 3.09Å
45Q90Very high86.8Confident89 Ų8949.3 Ų49.342%0.41626%0.261SS..Hα-helixtrans-61-45.2173.3-73.81714.300111.5S41 K42 V43 L48 V49S41-Q45 WeakPolarHBondContact O-CG 3.24Å; S41-Q45 PolarHBondContact O-N 3.03Å; K42-Q45 WeakPolarHBondContact O-CB 3.36Å; K42-Q45 PolarHBondContact O-N 2.98Å; V43-Q45 PolarHBondContact O-N 3.34Å; Q45-L48 PolarHBondContact O-N 2.78Å; Q45-V49 PolarHBondContact O-N 2.87Å
46L91.3Very high86.2Confident1 Ų149.3 Ų49.31%0.00526%0.259CS..Hα-helixtrans-65.4-41.9175.9-67.3177000112.4V15 T18 L19 I22 K42 V43 L48 V49 F50 L85 L89V15-L46 HydrophobicContact CB-CD2 4.26Å; V15-L46 HydrophobicContact CG1-CD2 3.84Å; V15-L46 HydrophobicContact CG2-CD2 4.14Å; T18-L46 HydrophobicContact CG2-CD1 4.23Å; T18-L46 HydrophobicContact CG2-CD2 4.06Å; T18-L46 HydrophobicContact CG2-CG 3.84Å; L19-L46 HydrophobicContact CD2-CD1 3.57Å; L19-L46 HydrophobicContact CD2-CD2 4.43Å; L19-L46 HydrophobicContact CG-CD1 4.3Å; L19-L46 HydrophobicContact CG-CD2 4.36Å; I22-L46 HydrophobicContact CD1-CD1 3.54Å; K42-L46 PolarHBondContact O-N 3.09Å; K42-L46 VanDerWaalsContact O-N 3.07Å; V43-L46 PolarHBondContact O-N 3.28Å; L46-L48 VanDerWaalsContact C-N 3.31Å; L46-L48 PolarHBondContact O-N 3.02Å; L46-V49 WeakPolarHBondContact O-CB 3.48Å; L46-V49 PolarHBondContact O-N 3.04Å; L46-V49 VanDerWaalsContact O-N 3.09Å; L46-F50 PolarHBondContact O-N 3.25Å; L46-L85 HydrophobicContact CD1-CD2 3.9Å; L46-L89 HydrophobicContact CB-CD1 3.8Å; L46-L89 HydrophobicContact CD1-CD1 4.41Å
47Q87.9Confident85.8Confident49 Ų4951.4 Ų51.423%0.22927%0.27CS..Hα-helixtrans-53.8-48.1175.3176170.828.600111.4V43 R44 V49 F50 M51 L89 S93V43-Q47 WeakPolarHBondContact O-CB 3.27Å; V43-Q47 PolarHBondContact O-N 3.13Å; R44-Q47 WeakPolarHBondContact O-CB 3.32Å; R44-Q47 PolarHBondContact O-N 3.27Å; Q47-V49 PolarHBondContact O-N 3.36Å; Q47-F50 PolarHBondContact O-N 2.92Å; Q47-F50 VanDerWaalsContact O-N 3.16Å; Q47-M51 HydrophobicContact CG-CG 4.33Å; Q47-M51 HydrophobicContact CG-SD 4.11Å; Q47-M51 VanDerWaalsContact O-CG 3.27Å; Q47-M51 WeakPolarHBondContact O-CG 3.41Å; Q47-M51 PolarHBondContact O-N 2.8Å; Q47-L89 HydrophobicContact CB-CD2 4.25Å; Q47-S93 WeakPolarHBondContact CG-OG 3.36Å
48L83.5Confident85.5Confident97 Ų9749.3 Ų49.351%0.50825%0.251SS..Hα-helixtrans-60-32.5178.7-72171.8000113.2R44 Q45 L46 R52R44-L48 WeakPolarHBondContact O-CG 3.2Å; R44-L48 PolarHBondContact O-N 3.48Å; Q45-L48 PolarHBondContact O-N 2.78Å; L46-L48 VanDerWaalsContact C-N 3.31Å; L46-L48 PolarHBondContact O-N 3.02Å; L48-R52 WeakPolarHBondContact O-CD 3.5Å; L48-R52 WeakPolarHBondContact O-CG 3.44Å
49V84.5Confident85.2Confident12 Ų1249.4 Ų49.47%0.07324%0.244CC..Hα-helixtrans-71.8-49.9174.4178.40000110.1D11 V15 Q45 L46 Q47 M51 R52D11-V49 HydrophobicContact CB-CG1 3.84Å; D11-V49 HydrophobicContact CB-CG2 4.3Å; V15-V49 HydrophobicContact CG2-CB 4.29Å; V15-V49 HydrophobicContact CG2-CG1 3.91Å; V15-V49 HydrophobicContact CG2-CG2 4.09Å; Q45-V49 PolarHBondContact O-N 2.87Å; L46-V49 WeakPolarHBondContact O-CB 3.48Å; L46-V49 PolarHBondContact O-N 3.04Å; L46-V49 VanDerWaalsContact O-N 3.09Å; Q47-V49 PolarHBondContact O-N 3.36Å; V49-M51 VanDerWaalsContact C-N 3.34Å; V49-M51 PolarHBondContact O-N 3.21Å; V49-R52 PolarHBondContact O-N 3.07Å; V49-R52 VanDerWaalsContact O-N 3.09Å
50F85.1Confident84.9Confident0 Ų053.8 Ų53.80%027%0.265CS..Hα-helixtrans-67.1-33.2-174.8-68.8-4.3000113.5F3 L46 Q47 R52 I53 C86 L89 L90 V94F3-F50 HydrophobicContact CZ-CE1 4.42Å; F3-F50 HydrophobicContact CZ-CZ 4.12Å; L46-F50 PolarHBondContact O-N 3.25Å; Q47-F50 PolarHBondContact O-N 2.92Å; Q47-F50 VanDerWaalsContact O-N 3.16Å; F50-R52 PolarHBondContact O-N 3.47Å; F50-R52 VanDerWaalsContact O-N 3.09Å; F50-I53 HydrophobicContact CB-CD1 4.44Å; F50-I53 HydrophobicContact CD1-CD1 3.61Å; F50-I53 HydrophobicContact CE1-CD1 4.31Å; F50-I53 HydrophobicContact CG-CD1 4.32Å; F50-I53 WeakPolarHBondContact O-CB 3.3Å; F50-I53 PolarHBondContact O-N 3.12Å; F50-I53 VanDerWaalsContact O-N 3.1Å; F50-C86 HydrophobicContact CE2-CB 4.17Å; F50-C86 WeakPolarHBondContact CE2-O 3.26Å; F50-C86 HydrophobicContact CZ-CB 4.29Å; F50-L89 HydrophobicContact CD2-CB 3.56Å; F50-L89 HydrophobicContact CE2-CB 3.91Å; F50-L89 HydrophobicContact CE2-CD1 4.49Å; F50-L90 HydrophobicContact CB-CD1 4.31Å; F50-L90 HydrophobicContact CD2-CB 4.29Å; F50-L90 HydrophobicContact CD2-CD1 4.41Å; F50-L90 HydrophobicContact CG-CD1 4.23Å; F50-V94 VanDerWaalsContact O-CG2 3.26Å; F50-V94 WeakPolarHBondContact O-CG2 3.31Å
51M76.7Confident84.9Confident66 Ų6653.7 Ų53.733%0.32526%0.264SS..THydrogen-bonded Turntrans-55.5-25.8172.3-75.1-176.665.600113.6Q47 V49Q47-M51 HydrophobicContact CG-CG 4.33Å; Q47-M51 HydrophobicContact CG-SD 4.11Å; Q47-M51 VanDerWaalsContact O-CG 3.27Å; Q47-M51 WeakPolarHBondContact O-CG 3.41Å; Q47-M51 PolarHBondContact O-N 2.8Å; V49-M51 VanDerWaalsContact C-N 3.34Å; V49-M51 PolarHBondContact O-N 3.21Å
52R75.3Confident84.8Confident156 Ų15651 Ų5159%0.58925%0.245SC*.THydrogen-bonded Turntrans-94.7-1.6-176.2-62.5171.7178.8172.4-0.2113.2L48 V49 F50 P54L48-R52 WeakPolarHBondContact O-CD 3.5Å; L48-R52 WeakPolarHBondContact O-CG 3.44Å; V49-R52 PolarHBondContact O-N 3.07Å; V49-R52 VanDerWaalsContact O-N 3.09Å; F50-R52 PolarHBondContact O-N 3.47Å; F50-R52 VanDerWaalsContact O-N 3.09Å; R52-P54 WeakPolarHBondContact O-CD 3.41Å
53I77.6Confident84.7Confident5 Ų555.3 Ų55.33%0.02626%0.264CS..  trans-79.3119.7-174.9-63.6-179.1000109.9F50 L57 R58 I61 L90F50-I53 HydrophobicContact CB-CD1 4.44Å; F50-I53 HydrophobicContact CD1-CD1 3.61Å; F50-I53 HydrophobicContact CE1-CD1 4.31Å; F50-I53 HydrophobicContact CG-CD1 4.32Å; F50-I53 WeakPolarHBondContact O-CB 3.3Å; F50-I53 PolarHBondContact O-N 3.12Å; F50-I53 VanDerWaalsContact O-N 3.1Å; I53-L57 HydrophobicContact CG2-CB 3.84Å; I53-R58 HydrophobicContact CG2-CB 4.2Å; I53-I61 HydrophobicContact CD1-CD1 3.69Å; I53-I61 HydrophobicContact CG2-CD1 3.98Å; I53-L90 HydrophobicContact CD1-CD1 4.19Å
54P75Confident84.7Confident75 Ų7556.7 Ų56.749%0.48727%0.271SS..  trans-57.8146.7174.8-22.532.7000112.2R52 V56 L57 R58R52-P54 WeakPolarHBondContact O-CD 3.41Å; P54-V56 PolarHBondContact O-N 2.87Å; P54-V56 VanDerWaalsContact O-N 3.11Å; P54-L57 HydrophobicContact CG-CD1 4.43Å; P54-L57 PolarHBondContact O-N 3.2Å; P54-R58 PolarHBondContact O-N 3.21Å
55M74Confident85Confident38 Ų3851.8 Ų51.819%0.18725%0.252CS..Hα-helixtrans-51.9-39.5-176.6-169.4-17278.400113.4R58 K59 L103M55-R58 WeakPolarHBondContact O-CB 3.48Å; M55-R58 PolarHBondContact O-N 3.37Å; M55-K59 WeakPolarHBondContact O-CG 3.2Å; M55-K59 PolarHBondContact O-N 3.07Å; M55-K59 VanDerWaalsContact O-N 3.07Å; M55-L103 HydrophobicContact CE-CB 4.07Å; M55-L103 HydrophobicContact CE-CD1 3.47Å; M55-L103 VanDerWaalsContact CE-CD1 3.47Å; M55-L103 HydrophobicContact CE-CG 4.41Å; M55-L103 HydrophobicContact SD-CB 3.84Å; M55-L103 HydrophobicContact SD-CD1 4.13Å
56V78Confident85.1Confident97 Ų9748.4 Ų48.459%0.58824%0.237SC*.Hα-helixtrans-61.4-46.7178.7178.70000111.8P54 R58 K59P54-V56 PolarHBondContact O-N 2.87Å; P54-V56 VanDerWaalsContact O-N 3.11Å; V56-R58 VanDerWaalsContact C-N 3.31Å; V56-K59 PolarHBondContact O-N 3.2Å
57L82.6Confident85.2Confident56 Ų5653.1 Ų53.129%0.29326%0.259SS..Hα-helixtrans-70-33.1177-66.6-178.8000111.2V6 I53 P54 K59 Q60 I61V6-L57 HydrophobicContact CG1-CB 4.38Å; V6-L57 HydrophobicContact CG1-CD2 3.97Å; I53-L57 HydrophobicContact CG2-CB 3.84Å; P54-L57 HydrophobicContact CG-CD1 4.43Å; P54-L57 PolarHBondContact O-N 3.2Å; L57-K59 VanDerWaalsContact C-N 3.35Å; L57-K59 PolarHBondContact O-N 2.93Å; L57-Q60 PolarHBondContact O-N 2.84Å; L57-I61 VanDerWaalsContact O-CG1 3.31Å; L57-I61 WeakPolarHBondContact O-CG1 3.4Å; L57-I61 PolarHBondContact O-N 3.14Å
58R84.6Confident85.3Confident6 Ų651.3 Ų51.32%0.02325%0.254CS..Hα-helixtrans-58.7-45.7176-158.4-169.8-43.1153.816.3111.9I53 P54 M55 V56 Q60 I61 K62 L90 V94 E104I53-R58 HydrophobicContact CG2-CB 4.2Å; P54-R58 PolarHBondContact O-N 3.21Å; M55-R58 WeakPolarHBondContact O-CB 3.48Å; M55-R58 PolarHBondContact O-N 3.37Å; V56-R58 VanDerWaalsContact C-N 3.31Å; R58-Q60 VanDerWaalsContact C-N 3.31Å; R58-Q60 PolarHBondContact O-N 2.92Å; R58-I61 PolarHBondContact O-N 2.63Å; R58-K62 VanDerWaalsContact O-CB 3.27Å; R58-K62 WeakPolarHBondContact O-CB 3.2Å; R58-K62 PolarHBondContact O-N 2.93Å; R58-L90 HydrophobicContact CG-CD1 3.62Å; R58-L90 HydrophobicContact CG-CD2 3.73Å; R58-L90 HydrophobicContact CG-CG 3.52Å; R58-V94 VanDerWaalsContact NE-CG1 3.27Å; R58-V94 PolarHBondContact NH1-O 3.32Å; R58-E104 IonicContact CZ-OE1 2.83Å; R58-E104 VanDerWaalsContact CZ-OE1 3.3Å; R58-E104 IonicContact CZ-OE2 3.69Å; R58-E104 IonicContact NH1-OE1 3.03Å; R58-E104 PolarHBondContact NH1-OE1 3.1Å; R58-E104 IonicContact NH1-OE2 3.51Å; R58-E104 PolarHBondContact NH1-OE2 2.87Å; R58-E104 IonicContact NH2-OE1 3.16Å; R58-E104 PolarHBondContact NH2-OE1 3.47Å
59K85.9Confident85.8Confident75 Ų7546.8 Ų46.833%0.32623%0.23SC..Hα-helixtrans-58.7-43.1177-67.8-170.3175.8-166.40112M55 V56 L57 K62 F63 D107M55-K59 WeakPolarHBondContact O-CG 3.2Å; M55-K59 PolarHBondContact O-N 3.07Å; M55-K59 VanDerWaalsContact O-N 3.07Å; V56-K59 PolarHBondContact O-N 3.2Å; L57-K59 VanDerWaalsContact C-N 3.35Å; L57-K59 PolarHBondContact O-N 2.93Å; K59-K62 PolarHBondContact O-N 3.45Å; K59-F63 PolarHBondContact O-N 3.03Å; K59-F63 VanDerWaalsContact O-N 3.08Å; K59-D107 WeakPolarHBondContact CE-OD1 3.25Å; K59-D107 WeakPolarHBondContact CG-OD1 3.14Å
60Q89.4Confident86.1Confident98 Ų9848.9 Ų48.946%0.45824%0.239SC..Hα-helixtrans-65.1-45.7176.5-66.7177.4-5.100112V6 L57 R58 K62 F63 L64V6-Q60 HydrophobicContact CG1-CB 4.02Å; L57-Q60 PolarHBondContact O-N 2.84Å; R58-Q60 VanDerWaalsContact C-N 3.31Å; R58-Q60 PolarHBondContact O-N 2.92Å; Q60-K62 VanDerWaalsContact C-N 3.34Å; Q60-K62 PolarHBondContact O-N 3.11Å; Q60-F63 PolarHBondContact O-N 3.13Å; Q60-L64 WeakPolarHBondContact O-CG 3.13Å; Q60-L64 PolarHBondContact O-N 2.69Å
61I91.1Very high86.4Confident0 Ų051.6 Ų51.60%026%0.262CS..Hα-helixtrans-62.3-43.8177.3-70170.8000110.6F3 V6 I53 L57 R58 F63 L64 L65 L90F3-I61 HydrophobicContact CD2-CG2 3.89Å; F3-I61 HydrophobicContact CE2-CG2 3.55Å; V6-I61 HydrophobicContact CB-CD1 4.4Å; V6-I61 HydrophobicContact CB-CG1 3.79Å; V6-I61 HydrophobicContact CG1-CD1 4.11Å; V6-I61 HydrophobicContact CG1-CG1 3.58Å; I53-I61 HydrophobicContact CD1-CD1 3.69Å; I53-I61 HydrophobicContact CG2-CD1 3.98Å; L57-I61 VanDerWaalsContact O-CG1 3.31Å; L57-I61 WeakPolarHBondContact O-CG1 3.4Å; L57-I61 PolarHBondContact O-N 3.14Å; R58-I61 PolarHBondContact O-N 2.63Å; I61-F63 VanDerWaalsContact C-N 3.35Å; I61-F63 PolarHBondContact O-N 3.26Å; I61-L64 PolarHBondContact O-N 2.92Å; I61-L65 HydrophobicContact CG2-CD1 3.77Å; I61-L65 HydrophobicContact CG2-CG 4.11Å; I61-L65 VanDerWaalsContact O-CG 3.29Å; I61-L65 WeakPolarHBondContact O-CG 3.31Å; I61-L65 PolarHBondContact O-N 3.39Å; I61-L90 HydrophobicContact CB-CD2 4.22Å; I61-L90 HydrophobicContact CG2-CD1 4.4Å; I61-L90 HydrophobicContact CG2-CD2 3.79Å
62K91.9Very high87Confident5 Ų548.7 Ų48.72%0.02225%0.247CC..Hα-helixtrans-59.7-46.2180-165.5-173.9-46.2-152.40111.7R58 K59 Q60 L64 L65 L66 L87 L90 E91 D107 T111R58-K62 VanDerWaalsContact O-CB 3.27Å; R58-K62 WeakPolarHBondContact O-CB 3.2Å; R58-K62 PolarHBondContact O-N 2.93Å; K59-K62 PolarHBondContact O-N 3.45Å; Q60-K62 VanDerWaalsContact C-N 3.34Å; Q60-K62 PolarHBondContact O-N 3.11Å; K62-L64 VanDerWaalsContact C-N 3.34Å; K62-L64 PolarHBondContact O-N 3.44Å; K62-L65 PolarHBondContact O-N 3.4Å; K62-L66 HydrophobicContact CG-CD1 4.44Å; K62-L66 WeakPolarHBondContact O-CG 3.18Å; K62-L66 PolarHBondContact O-N 2.91Å; K62-L87 HydrophobicContact CD-CD1 4.45Å; K62-L87 HydrophobicContact CG-CD1 3.65Å; K62-L90 HydrophobicContact CB-CD2 4.07Å; K62-E91 WeakPolarHBondContact CE-OE1 3.41Å; K62-E91 IonicContact NZ-OE1 2.72Å; K62-E91 PolarHBondContact NZ-OE1 3.27Å; K62-E91 IonicContact NZ-OE2 2.83Å; K62-E91 PolarHBondContact NZ-OE2 2.93Å; K62-D107 WeakPolarHBondContact CE-OD2 3.42Å; K62-D107 IonicContact NZ-OD1 2.7Å; K62-D107 IonicContact NZ-OD2 3.91Å; K62-D107 PolarHBondContact NZ-OD2 3.31Å; K62-T111 HydrophobicContact CD-CG2 3.92Å; K62-T111 WeakPolarHBondContact CD-OG1 3.34Å; K62-T111 PolarHBondContact NZ-OG1 3.11Å
63F91.9Very high87.5Confident127 Ų12741.7 Ų41.756%0.55722%0.223SC*.Hα-helixtrans-54.6-50.4174.5178-97000111.5K59 Q60 I61 L65 L66 E67K59-F63 PolarHBondContact O-N 3.03Å; K59-F63 VanDerWaalsContact O-N 3.08Å; Q60-F63 PolarHBondContact O-N 3.13Å; I61-F63 VanDerWaalsContact C-N 3.35Å; I61-F63 PolarHBondContact O-N 3.26Å; F63-L65 VanDerWaalsContact C-N 3.32Å; F63-L65 PolarHBondContact O-N 3.48Å; F63-L66 PolarHBondContact O-N 3.38Å; F63-E67 HydrophobicContact CE1-CG 4.16Å; F63-E67 WeakPolarHBondContact CE1-OE1 3.36Å; F63-E67 HydrophobicContact CZ-CG 4.18Å; F63-E67 WeakPolarHBondContact CZ-OE1 3.4Å; F63-E67 PolarHBondContact O-N 3.14Å
64L93.8Very high87.8Confident35 Ų3547.6 Ų47.618%0.18325%0.25CC..Hα-helixtrans-63.6-34.7177.9-65.8170.7000113.2D2 V6 Q60 I61 K62 G68D2-L64 HydrophobicContact CB-CD1 4.18Å; D2-L64 HydrophobicContact CB-CD2 3.97Å; V6-L64 HydrophobicContact CG2-CD1 3.68Å; Q60-L64 WeakPolarHBondContact O-CG 3.13Å; Q60-L64 PolarHBondContact O-N 2.69Å; I61-L64 PolarHBondContact O-N 2.92Å; K62-L64 VanDerWaalsContact C-N 3.34Å; K62-L64 PolarHBondContact O-N 3.44Å; L64-G68 PolarHBondContact O-N 3.14Å
65L94.4Very high88.4Confident1 Ų150.1 Ų50.11%0.00526%0.258CS..Hα-helixtrans-69.8-38.3176.7-72.2175.1000111.8F3 I61 K62 F63 G68 L69 F83 C86 L87 L90F3-L65 HydrophobicContact CD2-CD2 3.76Å; F3-L65 HydrophobicContact CD2-CG 4.1Å; F3-L65 HydrophobicContact CE2-CD1 4.22Å; F3-L65 HydrophobicContact CE2-CD2 3.61Å; F3-L65 HydrophobicContact CE2-CG 4Å; F3-L65 HydrophobicContact CZ-CD2 4.38Å; I61-L65 HydrophobicContact CG2-CD1 3.77Å; I61-L65 HydrophobicContact CG2-CG 4.11Å; I61-L65 VanDerWaalsContact O-CG 3.29Å; I61-L65 WeakPolarHBondContact O-CG 3.31Å; I61-L65 PolarHBondContact O-N 3.39Å; K62-L65 PolarHBondContact O-N 3.4Å; F63-L65 VanDerWaalsContact C-N 3.32Å; F63-L65 PolarHBondContact O-N 3.48Å; L65-G68 PolarHBondContact O-N 3.23Å; L65-L69 WeakPolarHBondContact O-CB 3.36Å; L65-L69 PolarHBondContact O-N 2.78Å; L65-F83 HydrophobicContact CD2-CD1 3.81Å; L65-F83 HydrophobicContact CD2-CE1 4.43Å; L65-C86 HydrophobicContact CD1-CB 3.96Å; L65-C86 HydrophobicContact CD2-CB 3.6Å; L65-C86 HydrophobicContact CG-CB 4.46Å; L65-L87 HydrophobicContact CB-CB 4.44Å; L65-L87 HydrophobicContact CB-CD1 4.47Å; L65-L87 HydrophobicContact CD1-CB 4.23Å; L65-L87 HydrophobicContact CD1-CD1 4.46Å; L65-L90 HydrophobicContact CD1-CD2 4.03Å
66L93.5Very high89.2Confident18 Ų1849.9 Ų49.99%0.09426%0.26CS..Hα-helixtrans-65.3-47.2175.2-71.9168.5000111.2K62 F63 G68 L69 E70 L87 T111 L115K62-L66 HydrophobicContact CG-CD1 4.44Å; K62-L66 WeakPolarHBondContact O-CG 3.18Å; K62-L66 PolarHBondContact O-N 2.91Å; F63-L66 PolarHBondContact O-N 3.38Å; L66-G68 VanDerWaalsContact C-N 3.31Å; L66-G68 PolarHBondContact O-N 3.28Å; L66-L69 WeakPolarHBondContact O-CB 3.39Å; L66-L69 PolarHBondContact O-N 3.43Å; L66-L69 VanDerWaalsContact O-N 3.16Å; L66-E70 PolarHBondContact O-N 3.34Å; L66-L87 HydrophobicContact CD2-CD2 3.89Å; L66-T111 HydrophobicContact CD1-CG2 4.26Å; L66-T111 HydrophobicContact CD2-CG2 4.41Å; L66-L115 HydrophobicContact CD2-CD2 3.73Å; L66-L115 HydrophobicContact CD2-CG 4.27Å
67E91.6Very high89.9Confident99 Ų9947.2 Ų47.246%0.46324%0.243SC..Hα-helixtrans-57.5-45.2174.5-70.6-174.8146.800111.6F63 L69 E70 A71F63-E67 HydrophobicContact CE1-CG 4.16Å; F63-E67 WeakPolarHBondContact CE1-OE1 3.36Å; F63-E67 HydrophobicContact CZ-CG 4.18Å; F63-E67 WeakPolarHBondContact CZ-OE1 3.4Å; F63-E67 PolarHBondContact O-N 3.14Å; E67-L69 VanDerWaalsContact C-N 3.34Å; E67-L69 PolarHBondContact O-N 2.99Å; E67-E70 PolarHBondContact O-N 2.84Å; E67-A71 WeakPolarHBondContact O-CB 3.49Å; E67-A71 PolarHBondContact O-N 2.96Å
68G91.9Very high90.5Very high12 Ų1245.5 Ų45.512%0.12424%0.235CC..Hα-helixtrans-64.5-36.8176.700000113.3L64 L65 L66 S72 F83L64-G68 PolarHBondContact O-N 3.14Å; L65-G68 PolarHBondContact O-N 3.23Å; L66-G68 VanDerWaalsContact C-N 3.31Å; L66-G68 PolarHBondContact O-N 3.28Å; G68-S72 WeakPolarHBondContact O-CB 3.16Å; G68-S72 PolarHBondContact O-N 3.19Å; G68-S72 PolarHBondContact O-OG 3.41Å; G68-F83 WeakPolarHBondContact O-CD2 3.49Å
69L93.6Very high90.9Very high1 Ų147.5 Ų47.51%0.00525%0.246CC..Hα-helixtrans-65.9-44.7176.9-165.2150000111.1L65 L66 E67 S72 S73 L80 F83 L87 V119 L145L65-L69 WeakPolarHBondContact O-CB 3.36Å; L65-L69 PolarHBondContact O-N 2.78Å; L66-L69 WeakPolarHBondContact O-CB 3.39Å; L66-L69 PolarHBondContact O-N 3.43Å; L66-L69 VanDerWaalsContact O-N 3.16Å; E67-L69 VanDerWaalsContact C-N 3.34Å; E67-L69 PolarHBondContact O-N 2.99Å; L69-S72 WeakPolarHBondContact CA-OG 3.28Å; L69-S72 PolarHBondContact O-OG 2.88Å; L69-S72 VanDerWaalsContact O-OG 3.11Å; L69-S73 PolarHBondContact O-N 3.21Å; L69-S73 VanDerWaalsContact O-N 3.14Å; L69-L80 HydrophobicContact CD2-CD1 3.94Å; L69-L80 HydrophobicContact CG-CD1 3.83Å; L69-F83 HydrophobicContact CB-CB 4.1Å; L69-F83 HydrophobicContact CG-CB 4.5Å; L69-L87 HydrophobicContact CD1-CD2 4.19Å; L69-V119 HydrophobicContact CD2-CB 4.24Å; L69-V119 HydrophobicContact CD2-CG1 3.31Å; L69-V119 HydrophobicContact CD2-CG2 3.83Å; L69-L145 HydrophobicContact CD1-CD1 3.96Å; L69-L145 HydrophobicContact CD1-CD2 3.93Å; L69-L145 HydrophobicContact CD1-CG 4.5Å; L69-L145 HydrophobicContact CD2-CD1 4.29Å
70E90.7Very high91.3Very high57 Ų5743.9 Ų43.927%0.26623%0.23SC..Hα-helixtrans-62.5-47.9175.3-71.8-174-168.800112L66 E67 S73 S118 V119L66-E70 PolarHBondContact O-N 3.34Å; E67-E70 PolarHBondContact O-N 2.84Å; E70-S73 PolarHBondContact O-N 3.27Å; E70-S73 PolarHBondContact O-OG 3.46Å; E70-S118 WeakPolarHBondContact OE1-CB 3.49Å; E70-S118 PolarHBondContact OE1-OG 3.14Å; E70-V119 HydrophobicContact CG-CG2 3.91Å
71A89.9Confident91.7Very high57 Ų5739.2 Ų39.247%0.47121%0.208SC..Hα-helixtrans-64.5-42.1179.800000112.4E67 S73 I75E67-A71 WeakPolarHBondContact O-CB 3.49Å; E67-A71 PolarHBondContact O-N 2.96Å; A71-S73 VanDerWaalsContact C-N 3.3Å; A71-S73 PolarHBondContact O-N 2.89Å; A71-I75 WeakPolarHBondContact O-CD1 3.26Å; A71-I75 WeakPolarHBondContact O-CG1 3.46Å
72S90.8Very high91.9Very high4 Ų440.1 Ų40.13%0.02821%0.213CC..Hα-helixtrans-71-24.2-178.558.20000113.7G68 L69 E74 I75 S76 L80G68-S72 WeakPolarHBondContact O-CB 3.16Å; G68-S72 PolarHBondContact O-N 3.19Å; G68-S72 PolarHBondContact O-OG 3.41Å; L69-S72 WeakPolarHBondContact CA-OG 3.28Å; L69-S72 PolarHBondContact O-OG 2.88Å; L69-S72 VanDerWaalsContact O-OG 3.11Å; S72-E74 PolarHBondContact O-N 2.83Å; S72-E74 VanDerWaalsContact O-N 3.11Å; S72-I75 PolarHBondContact O-N 3.01Å; S72-S76 PolarHBondContact O-N 3.22Å; S72-L80 WeakPolarHBondContact OG-CA 3.21Å
73S85.4Confident92.1Very high10 Ų1042.4 Ų42.47%0.0722%0.223CC..THydrogen-bonded Turntrans-57.1-27.4179750000113.3L69 E70 A71 K126L69-S73 PolarHBondContact O-N 3.21Å; L69-S73 VanDerWaalsContact O-N 3.14Å; E70-S73 PolarHBondContact O-N 3.27Å; E70-S73 PolarHBondContact O-OG 3.46Å; A71-S73 VanDerWaalsContact C-N 3.3Å; A71-S73 PolarHBondContact O-N 2.89Å; S73-K126 PolarHBondContact O-NZ 2.85Å
74E83.3Confident92.3Very high128 Ų12836.3 Ų36.360%0.59820%0.196SC*.THydrogen-bonded Turntrans-93.9-11.6177.7-59.9-55.5143.800114S72 K126S72-E74 PolarHBondContact O-N 2.83Å; S72-E74 VanDerWaalsContact O-N 3.11Å; E74-K126 IonicContact OE1-NZ 3.8Å; E74-K126 PolarHBondContact OE1-NZ 3.31Å; E74-K126 IonicContact OE2-NZ 2.94Å; E74-K126 PolarHBondContact OE2-NZ 3.45Å
75I87.3Confident92.4Very high128 Ų12834.7 Ų34.766%0.65619%0.188SC*.THydrogen-bonded Turntrans-111.3-49.3-166.3-58.3170.9000111.8A71 S72A71-I75 WeakPolarHBondContact O-CD1 3.26Å; A71-I75 WeakPolarHBondContact O-CG1 3.46Å; S72-I75 PolarHBondContact O-N 3.01Å
76S91.3Very high92.5Very high34 Ų3434.7 Ų34.724%0.23819%0.188CC..  trans-164.6125.9-168.1176.70000112.2S72 P78 L79 L80S72-S76 PolarHBondContact O-N 3.22Å; S76-P78 WeakPolarHBondContact OG-CD 3.48Å; S76-L79 PolarHBondContact O-N 3.49Å; S76-L80 PolarHBondContact O-N 3.06Å
77N93.2Very high92.6Very high40 Ų4033.9 Ų33.921%0.21418%0.183CC..Hα-helixtrans-67.7-35.9177.2-46.5-56.2000113.3D28 L79 L80 C81 L137D28-N77 VanDerWaalsContact OD1-CB 3.25Å; D28-N77 WeakPolarHBondContact OD1-CB 3.3Å; D28-N77 PolarHBondContact OD1-ND2 3.09Å; N77-L79 VanDerWaalsContact C-N 3.3Å; N77-L79 PolarHBondContact O-N 2.75Å; N77-L80 WeakPolarHBondContact O-CB 3.4Å; N77-L80 PolarHBondContact O-N 3.5Å; N77-C81 WeakPolarHBondContact O-CB 3.33Å; N77-C81 PolarHBondContact O-N 3.44Å; N77-L137 HydrophobicContact CB-CB 3.94Å
78P94.2Very high92.7Very high20 Ų2029.1 Ų29.113%0.1316%0.161CC..Hα-helixtrans-57-41.6170.6-30.934.8000113L26 D28 S76 C81 I82 L137L26-P78 HydrophobicContact CB-CB 4.31Å; D28-P78 VanDerWaalsContact OD1-CD 3.31Å; D28-P78 WeakPolarHBondContact OD1-CD 3.43Å; S76-P78 WeakPolarHBondContact OG-CD 3.48Å; P78-C81 PolarHBondContact O-N 3.26Å; P78-I82 WeakPolarHBondContact O-CG1 3.41Å; P78-I82 PolarHBondContact O-N 2.87Å; P78-L137 HydrophobicContact CG-CD1 4.16Å
79L93.5Very high92.7Very high48 Ų4828.7 Ų28.725%0.25116%0.156SC..Hα-helixtrans-66.6-44.4175.5-68.2179.4000111.5S76 N77 C81 I82 F83S76-L79 PolarHBondContact O-N 3.49Å; N77-L79 VanDerWaalsContact C-N 3.3Å; N77-L79 PolarHBondContact O-N 2.75Å; L79-C81 VanDerWaalsContact C-N 3.27Å; L79-C81 PolarHBondContact O-N 3.06Å; L79-I82 WeakPolarHBondContact O-CB 3.45Å; L79-I82 PolarHBondContact O-N 2.94Å; L79-I82 VanDerWaalsContact O-N 3.08Å; L79-F83 WeakPolarHBondContact O-CD2 3.37Å; L79-F83 PolarHBondContact O-N 3.4Å
80L95.6Very high92.5Very high0 Ų028.6 Ų28.60%016%0.156CC..Hα-helixtrans-55.7-43.5175.1179.769.5000111.7L69 S72 S76 N77 F83 T84 L123 L138L69-L80 HydrophobicContact CD2-CD1 3.94Å; L69-L80 HydrophobicContact CG-CD1 3.83Å; S72-L80 WeakPolarHBondContact OG-CA 3.21Å; S76-L80 PolarHBondContact O-N 3.06Å; N77-L80 WeakPolarHBondContact O-CB 3.4Å; N77-L80 PolarHBondContact O-N 3.5Å; L80-F83 PolarHBondContact O-N 3.25Å; L80-T84 VanDerWaalsContact O-CB 3.3Å; L80-T84 WeakPolarHBondContact O-CB 3.25Å; L80-T84 PolarHBondContact O-N 3.42Å; L80-T84 PolarHBondContact O-OG1 3.29Å; L80-L123 HydrophobicContact CD1-CD2 4.4Å; L80-L123 HydrophobicContact CD2-CD2 3.79Å; L80-L138 HydrophobicContact CD2-CD1 3.69Å
81C96.1Very high92.4Very high0 Ų026 Ų260%014%0.144CC..Hα-helixtrans-62.5-41.4176.4179.90000111.6L26 N77 P78 L79 T84 L85 L137 W140L26-C81 HydrophobicContact CD1-CB 4.03Å; N77-C81 WeakPolarHBondContact O-CB 3.33Å; N77-C81 PolarHBondContact O-N 3.44Å; P78-C81 PolarHBondContact O-N 3.26Å; L79-C81 VanDerWaalsContact C-N 3.27Å; L79-C81 PolarHBondContact O-N 3.06Å; C81-T84 PolarHBondContact O-N 3.25Å; C81-L85 WeakPolarHBondContact O-CB 3.2Å; C81-L85 PolarHBondContact O-N 3.49Å; C81-L137 HydrophobicContact CB-CD1 4.43Å; C81-L137 HydrophobicContact CB-CD2 4.32Å; C81-W140 HydrophobicContact CB-CZ3 4.36Å; C81-W140 WeakPolarHBondContact SG-CZ3 3.33Å
82I96.2Very high92.1Very high19 Ų1923.9 Ų23.910%0.09712%0.124CC..Hα-helixtrans-62.8-48.5177-69.7-68.3000111.1L19 I22 R23 L26 P78 L79 T84 L85 C86L19-I82 HydrophobicContact CD2-CD1 4.48Å; L19-I82 HydrophobicContact CD2-CG2 4.21Å; I22-I82 HydrophobicContact CB-CD1 4.11Å; I22-I82 HydrophobicContact CG2-CD1 3.49Å; I22-I82 VanDerWaalsContact CG2-CD1 3.49Å; R23-I82 HydrophobicContact CB-CD1 4.19Å; R23-I82 HydrophobicContact CB-CG1 4.33Å; L26-I82 HydrophobicContact CD1-CD1 4Å; L26-I82 HydrophobicContact CD1-CG1 4.08Å; P78-I82 WeakPolarHBondContact O-CG1 3.41Å; P78-I82 PolarHBondContact O-N 2.87Å; L79-I82 WeakPolarHBondContact O-CB 3.45Å; L79-I82 PolarHBondContact O-N 2.94Å; L79-I82 VanDerWaalsContact O-N 3.08Å; I82-T84 VanDerWaalsContact C-N 3.33Å; I82-T84 PolarHBondContact O-N 2.83Å; I82-L85 PolarHBondContact O-N 3.23Å; I82-C86 WeakPolarHBondContact O-CB 3.36Å; I82-C86 PolarHBondContact O-N 3.44Å; I82-C86 PolarHBondContact O-SG 3.17Å; I82-C86 VanDerWaalsContact O-SG 3.41Å
83F96Very high91.2Very high52 Ų5223.8 Ų23.823%0.22812%0.124CC..Hα-helixtrans-62.5-42.1177.1-75.1-70.4000111.8L65 G68 L69 L79 L80 C86 L87L65-F83 HydrophobicContact CD2-CD1 3.81Å; L65-F83 HydrophobicContact CD2-CE1 4.43Å; G68-F83 WeakPolarHBondContact O-CD2 3.49Å; L69-F83 HydrophobicContact CB-CB 4.1Å; L69-F83 HydrophobicContact CG-CB 4.5Å; L79-F83 WeakPolarHBondContact O-CD2 3.37Å; L79-F83 PolarHBondContact O-N 3.4Å; L80-F83 PolarHBondContact O-N 3.25Å; F83-C86 PolarHBondContact O-N 3.06Å; F83-L87 WeakPolarHBondContact O-CB 3.38Å; F83-L87 PolarHBondContact O-N 3.42Å
84T96.7Very high89.9Confident0 Ų023.8 Ų23.80%012%0.123CC..Hα-helixtrans-61.3-48176.2-59.90000111.5L80 C81 I82 C86 L87 C88 W140 M144 L145L80-T84 VanDerWaalsContact O-CB 3.3Å; L80-T84 WeakPolarHBondContact O-CB 3.25Å; L80-T84 PolarHBondContact O-N 3.42Å; L80-T84 PolarHBondContact O-OG1 3.29Å; C81-T84 PolarHBondContact O-N 3.25Å; I82-T84 VanDerWaalsContact C-N 3.33Å; I82-T84 PolarHBondContact O-N 2.83Å; T84-C86 VanDerWaalsContact C-N 3.34Å; T84-C86 PolarHBondContact O-N 2.99Å; T84-L87 PolarHBondContact O-N 3.23Å; T84-C88 WeakPolarHBondContact O-CB 3.32Å; T84-C88 PolarHBondContact O-N 3.31Å; T84-C88 PolarHBondContact O-SG 3.27Å; T84-W140 HydrophobicContact CG2-CZ3 3.99Å; T84-M144 HydrophobicContact CG2-CB 3.82Å; T84-L145 HydrophobicContact CG2-CD2 3.99Å; T84-L145 HydrophobicContact CG2-CG 3.83Å
85L96.3Very high88.6Confident0 Ų017.9 Ų17.90%010%0.096CC..Hα-helixtrans-58.8-47.2177.7179.8151.5000110.7I22 F39 V43 L46 C81 I82 L87 C88 L89 W140 F216I22-L85 HydrophobicContact CG2-CD1 4.33Å; F39-L85 HydrophobicContact CZ-CD1 4.09Å; V43-L85 HydrophobicContact CG2-CD1 4.25Å; L46-L85 HydrophobicContact CD1-CD2 3.9Å; C81-L85 WeakPolarHBondContact O-CB 3.2Å; C81-L85 PolarHBondContact O-N 3.49Å; I82-L85 PolarHBondContact O-N 3.23Å; L85-L87 PolarHBondContact O-N 3.05Å; L85-C88 PolarHBondContact O-N 3.18Å; L85-L89 HydrophobicContact CD2-CD1 3.54Å; L85-L89 HydrophobicContact CD2-CG 4.33Å; L85-L89 HydrophobicContact CG-CD1 4.27Å; L85-L89 WeakPolarHBondContact O-CB 3.49Å; L85-L89 WeakPolarHBondContact O-CG 3.26Å; L85-L89 PolarHBondContact O-N 3.04Å; L85-W140 HydrophobicContact CB-CH2 4.32Å; L85-F216 HydrophobicContact CD1-CD1 4.43Å; L85-F216 HydrophobicContact CG-CD1 4.27Å; L85-F216 HydrophobicContact CG-CE1 4.26Å
86C95.5Very high87.2Confident2 Ų217 Ų171%0.0148%0.084CC..Hα-helixtrans-61.8-45.5179.2-75.60000111.8F50 L65 I82 F83 T84 L89 L90F50-C86 HydrophobicContact CE2-CB 4.17Å; F50-C86 WeakPolarHBondContact CE2-O 3.26Å; F50-C86 HydrophobicContact CZ-CB 4.29Å; L65-C86 HydrophobicContact CD1-CB 3.96Å; L65-C86 HydrophobicContact CD2-CB 3.6Å; L65-C86 HydrophobicContact CG-CB 4.46Å; I82-C86 WeakPolarHBondContact O-CB 3.36Å; I82-C86 PolarHBondContact O-N 3.44Å; I82-C86 PolarHBondContact O-SG 3.17Å; I82-C86 VanDerWaalsContact O-SG 3.41Å; F83-C86 PolarHBondContact O-N 3.06Å; T84-C86 VanDerWaalsContact C-N 3.34Å; T84-C86 PolarHBondContact O-N 2.99Å; C86-L89 PolarHBondContact O-N 2.7Å; C86-L90 VanDerWaalsContact O-CB 3.29Å; C86-L90 WeakPolarHBondContact O-CB 3.07Å; C86-L90 PolarHBondContact O-N 3.49Å
87L95.1Very high85.5Confident0 Ų018 Ų180%09%0.086CC..Hα-helixtrans-64.1-45.4179.1-178.759.8000111.2K62 L65 L66 L69 F83 T84 L85 L89 L90 E91 L145 F149K62-L87 HydrophobicContact CD-CD1 4.45Å; K62-L87 HydrophobicContact CG-CD1 3.65Å; L65-L87 HydrophobicContact CB-CB 4.44Å; L65-L87 HydrophobicContact CB-CD1 4.47Å; L65-L87 HydrophobicContact CD1-CB 4.23Å; L65-L87 HydrophobicContact CD1-CD1 4.46Å; L66-L87 HydrophobicContact CD2-CD2 3.89Å; L69-L87 HydrophobicContact CD1-CD2 4.19Å; F83-L87 WeakPolarHBondContact O-CB 3.38Å; F83-L87 PolarHBondContact O-N 3.42Å; T84-L87 PolarHBondContact O-N 3.23Å; L85-L87 PolarHBondContact O-N 3.05Å; L87-L89 PolarHBondContact O-N 3.02Å; L87-L90 WeakPolarHBondContact O-CB 3.37Å; L87-L90 PolarHBondContact O-N 2.88Å; L87-E91 WeakPolarHBondContact O-CG 3.35Å; L87-E91 PolarHBondContact O-N 3.24Å; L87-L145 HydrophobicContact CD2-CD2 3.86Å; L87-F149 HydrophobicContact CD1-CZ 4.24Å; L87-F149 HydrophobicContact CD2-CE2 3.98Å; L87-F149 HydrophobicContact CD2-CZ 4.12Å; L87-F149 HydrophobicContact CG-CE2 4.12Å; L87-F149 HydrophobicContact CG-CZ 4.05Å
88C94.5Very high83.8Confident0 Ų016.9 Ų16.90%08%0.082CC..Hα-helixtrans-65.4-41.3-179.8-63.30000111.8T84 L85 L90 E91 L92 M144 T148 F216T84-C88 WeakPolarHBondContact O-CB 3.32Å; T84-C88 PolarHBondContact O-N 3.31Å; T84-C88 PolarHBondContact O-SG 3.27Å; L85-C88 PolarHBondContact O-N 3.18Å; C88-L90 VanDerWaalsContact C-N 3.35Å; C88-E91 PolarHBondContact O-N 2.88Å; C88-L92 VanDerWaalsContact O-CB 3.3Å; C88-L92 WeakPolarHBondContact O-CB 3.43Å; C88-L92 WeakPolarHBondContact O-CG 3.4Å; C88-L92 PolarHBondContact O-N 3.3Å; C88-M144 HydrophobicContact CB-CE 4.28Å; C88-T148 HydrophobicContact CB-CG2 4.13Å; C88-T148 WeakPolarHBondContact CB-OG1 3.46Å; C88-T148 PolarHBondContact SG-OG1 2.87Å; C88-F216 HydrophobicContact CB-CE1 4.16Å; C88-F216 HydrophobicContact CB-CZ 4.11Å
89L91.7Very high82.2Confident2 Ų216.1 Ų16.11%0.018%0.077CC..Hα-helixtrans-64.1-40.8173.2-73.5178000111.3V43 L46 Q47 F50 L85 C86 L87 E91 S93 F216V43-L89 HydrophobicContact CG1-CD1 4.22Å; V43-L89 HydrophobicContact CG1-CD2 3.94Å; L46-L89 HydrophobicContact CB-CD1 3.8Å; L46-L89 HydrophobicContact CD1-CD1 4.41Å; Q47-L89 HydrophobicContact CB-CD2 4.25Å; F50-L89 HydrophobicContact CD2-CB 3.56Å; F50-L89 HydrophobicContact CE2-CB 3.91Å; F50-L89 HydrophobicContact CE2-CD1 4.49Å; L85-L89 HydrophobicContact CD2-CD1 3.54Å; L85-L89 HydrophobicContact CD2-CG 4.33Å; L85-L89 HydrophobicContact CG-CD1 4.27Å; L85-L89 WeakPolarHBondContact O-CB 3.49Å; L85-L89 WeakPolarHBondContact O-CG 3.26Å; L85-L89 PolarHBondContact O-N 3.04Å; C86-L89 PolarHBondContact O-N 2.7Å; L87-L89 PolarHBondContact O-N 3.02Å; L89-E91 VanDerWaalsContact C-N 3.28Å; L89-E91 PolarHBondContact O-N 3.23Å; L89-S93 WeakPolarHBondContact O-CB 3.46Å; L89-S93 PolarHBondContact O-N 3.36Å; L89-S93 PolarHBondContact O-OG 2.96Å; L89-F216 HydrophobicContact CD2-CE1 4.02Å; L89-F216 HydrophobicContact CD2-CE2 3.79Å; L89-F216 HydrophobicContact CD2-CZ 3.49Å; L89-F216 VanDerWaalsContact CD2-CZ 3.49Å; L89-F216 HydrophobicContact CG-CE1 3.97Å; L89-F216 HydrophobicContact CG-CZ 3.84Å
90L89.8Confident80.8Confident0 Ų017.5 Ų17.50%08%0.079CC..Hα-helixtrans-62-36.6178.7-167.971.3000112.1F50 I53 R58 I61 K62 L65 C86 L87 C88 V94F50-L90 HydrophobicContact CB-CD1 4.31Å; F50-L90 HydrophobicContact CD2-CB 4.29Å; F50-L90 HydrophobicContact CD2-CD1 4.41Å; F50-L90 HydrophobicContact CG-CD1 4.23Å; I53-L90 HydrophobicContact CD1-CD1 4.19Å; R58-L90 HydrophobicContact CG-CD1 3.62Å; R58-L90 HydrophobicContact CG-CD2 3.73Å; R58-L90 HydrophobicContact CG-CG 3.52Å; I61-L90 HydrophobicContact CB-CD2 4.22Å; I61-L90 HydrophobicContact CG2-CD1 4.4Å; I61-L90 HydrophobicContact CG2-CD2 3.79Å; K62-L90 HydrophobicContact CB-CD2 4.07Å; L65-L90 HydrophobicContact CD1-CD2 4.03Å; C86-L90 VanDerWaalsContact O-CB 3.29Å; C86-L90 WeakPolarHBondContact O-CB 3.07Å; C86-L90 PolarHBondContact O-N 3.49Å; L87-L90 WeakPolarHBondContact O-CB 3.37Å; L87-L90 PolarHBondContact O-N 2.88Å; C88-L90 VanDerWaalsContact C-N 3.35Å; L90-V94 WeakPolarHBondContact O-CB 3.49Å; L90-V94 WeakPolarHBondContact O-CG2 3.34Å
91E87.3Confident79.5Confident2 Ų217.5 Ų17.51%0.0098%0.079CC..Hα-helixtrans-79.2-58.4176.7-63.6-53.5118.400111.5K62 L87 C88 L89 S93 V94 L95 T148 F149K62-E91 WeakPolarHBondContact CE-OE1 3.41Å; K62-E91 IonicContact NZ-OE1 2.72Å; K62-E91 PolarHBondContact NZ-OE1 3.27Å; K62-E91 IonicContact NZ-OE2 2.83Å; K62-E91 PolarHBondContact NZ-OE2 2.93Å; L87-E91 WeakPolarHBondContact O-CG 3.35Å; L87-E91 PolarHBondContact O-N 3.24Å; C88-E91 PolarHBondContact O-N 2.88Å; L89-E91 VanDerWaalsContact C-N 3.28Å; L89-E91 PolarHBondContact O-N 3.23Å; E91-S93 VanDerWaalsContact C-N 3.28Å; E91-S93 PolarHBondContact O-N 3.44Å; E91-V94 PolarHBondContact O-N 3.03Å; E91-L95 WeakPolarHBondContact O-CG 3.46Å; E91-L95 PolarHBondContact O-N 3.29Å; E91-T148 HydrophobicContact CB-CG2 4Å; E91-F149 HydrophobicContact CG-CE1 3.81Å; E91-F149 HydrophobicContact CG-CZ 3.65Å
92L84.5Confident78.3Confident13 Ų1318.2 Ų18.27%0.0688%0.082CC..Hα-helixtrans-64-33.5-172.8-66.3173.9000112.9C88 V94 L95 F147 T148 A151 L212 F216C88-L92 VanDerWaalsContact O-CB 3.3Å; C88-L92 WeakPolarHBondContact O-CB 3.43Å; C88-L92 WeakPolarHBondContact O-CG 3.4Å; C88-L92 PolarHBondContact O-N 3.3Å; L92-V94 VanDerWaalsContact C-N 3.29Å; L92-L95 HydrophobicContact CD2-CD1 4.45Å; L92-F147 HydrophobicContact CD1-CE1 4.25Å; L92-T148 HydrophobicContact CD1-CG2 4.06Å; L92-T148 HydrophobicContact CD2-CG2 3.91Å; L92-T148 HydrophobicContact CG-CG2 3.63Å; L92-A151 HydrophobicContact CD2-CB 4.3Å; L92-L212 HydrophobicContact CD1-CD2 3.89Å; L92-F216 HydrophobicContact CD1-CE2 4.43Å; L92-F216 HydrophobicContact CD1-CZ 4.36Å
93S72.4Confident77.2Confident2 Ų219.1 Ų19.11%0.0149%0.087CC..THydrogen-bonded Turntrans-76.2-21.8179.8-45.50000112.3Q47 L89 E91Q47-S93 WeakPolarHBondContact CG-OG 3.36Å; L89-S93 WeakPolarHBondContact O-CB 3.46Å; L89-S93 PolarHBondContact O-N 3.36Å; L89-S93 PolarHBondContact O-OG 2.96Å; E91-S93 VanDerWaalsContact C-N 3.28Å; E91-S93 PolarHBondContact O-N 3.44Å
94V57.8Low76.3Confident9 Ų916.7 Ų16.76%0.0558%0.076CC..THydrogen-bonded Turntrans-119.95.4-167.5-147.30000114.5F50 R58 L90 E91 L92 R96F50-V94 VanDerWaalsContact O-CG2 3.26Å; F50-V94 WeakPolarHBondContact O-CG2 3.31Å; R58-V94 VanDerWaalsContact NE-CG1 3.27Å; R58-V94 PolarHBondContact NH1-O 3.32Å; L90-V94 WeakPolarHBondContact O-CB 3.49Å; L90-V94 WeakPolarHBondContact O-CG2 3.34Å; E91-V94 PolarHBondContact O-N 3.03Å; L92-V94 VanDerWaalsContact C-N 3.29Å; V94-R96 PolarHBondContact O-N 2.92Å
95L56.7Low75.6Confident5 Ų516.8 Ų16.83%0.0268%0.077CC..THydrogen-bonded Turntrans-59.824.8164.2-76.1168.7000114.5E91 L92 I108 C152 W155 F245E91-L95 WeakPolarHBondContact O-CG 3.46Å; E91-L95 PolarHBondContact O-N 3.29Å; L92-L95 HydrophobicContact CD2-CD1 4.45Å; L95-I108 HydrophobicContact CD2-CD1 3.42Å; L95-I108 VanDerWaalsContact CD2-CD1 3.42Å; L95-I108 HydrophobicContact CD2-CG1 4.45Å; L95-C152 HydrophobicContact CD1-CB 4.41Å; L95-C152 HydrophobicContact CD2-CB 4.38Å; L95-W155 HydrophobicContact CB-CD2 4.44Å; L95-W155 HydrophobicContact CD1-CB 4.44Å; L95-W155 HydrophobicContact CD2-CB 4.43Å; L95-W155 HydrophobicContact CD2-CD2 3.78Å; L95-W155 HydrophobicContact CD2-CE3 3.65Å; L95-W155 HydrophobicContact CD2-CG 4.13Å; L95-W155 HydrophobicContact CD2-CZ3 4.15Å; L95-W155 VanDerWaalsContact O-CE2 3.24Å; L95-W155 WeakPolarHBondContact O-CZ2 3.45Å; L95-W155 PolarHBondContact O-NE1 2.99Å; L95-W155 VanDerWaalsContact O-NE1 3.14Å; L95-F245 HydrophobicContact CB-CD1 4.23Å; L95-F245 HydrophobicContact CB-CE1 3.84Å; L95-F245 HydrophobicContact CD1-CE1 3.5Å; L95-F245 VanDerWaalsContact CD1-CE1 3.5Å; L95-F245 HydrophobicContact CD1-CZ 3.7Å; L95-F245 HydrophobicContact CG-CE1 4.34Å
96R56.4Low74.9Confident110 Ų11022.3 Ų22.342%0.41510%0.103SC..THydrogen-bonded Turntrans-103.4-12.4-172.7-63.7-176-179.3-132.7-9.6114.7V94 C98 D246V94-R96 PolarHBondContact O-N 2.92Å; R96-C98 PolarHBondContact O-N 3.44Å; R96-D246 IonicContact CZ-OD2 3.3Å; R96-D246 IonicContact NH1-OD2 2.91Å; R96-D246 PolarHBondContact NH1-OD2 2.73Å; R96-D246 IonicContact NH2-OD2 4Å; R96-D246 PolarHBondContact NH2-OD2 2.62Å
97N56.9Low74.5Confident53 Ų5323.1 Ų23.128%0.28311%0.107SC..  trans-77.769.9176.9-159.4-10000110.1D99 R100 S101 E104N97-D99 PolarHBondContact O-N 3.43Å; N97-D99 VanDerWaalsContact O-N 3.08Å; N97-D99 WeakPolarHBondContact OD1-CB 3.42Å; N97-D99 PolarHBondContact OD1-N 3.31Å; N97-R100 CarbonylContact O-C 3.58Å; N97-R100 PolarHBondContact O-N 3.46Å; N97-R100 VanDerWaalsContact O-N 3.14Å; N97-S101 PolarHBondContact O-N 2.98Å; N97-E104 HydrophobicContact CB-CG 4.35Å
98C57.2Low74.1Confident17 Ų1723.1 Ų23.112%0.11511%0.107CC..G310 helixtrans-50.7-30.8172.951.40000110.5R96 R100 S101 E247R96-C98 PolarHBondContact O-N 3.44Å; C98-R100 VanDerWaalsContact C-N 3.26Å; C98-R100 PolarHBondContact O-N 3.02Å; C98-S101 PolarHBondContact O-N 3.35Å; C98-S101 PolarHBondContact O-OG 3.4Å; C98-E247 PolarHBondContact SG-OE2 3.49Å
99D59.1Low73.8Confident4 Ų425 Ų252%0.02112%0.115CC..G310 helixtrans-65.9-25.9-176.7-62.6-11.6000115.5N97 L362 M405 F406 R407 S408N97-D99 PolarHBondContact O-N 3.43Å; N97-D99 VanDerWaalsContact O-N 3.08Å; N97-D99 WeakPolarHBondContact OD1-CB 3.42Å; N97-D99 PolarHBondContact OD1-N 3.31Å; D99-L362 WeakPolarHBondContact O-CD2 3.35Å; D99-M405 WeakPolarHBondContact CA-O 3.42Å; D99-M405 VanDerWaalsContact OD1-C 3.28Å; D99-F406 VanDerWaalsContact CG-CA 3.47Å; D99-F406 WeakPolarHBondContact O-CE1 3.31Å; D99-F406 VanDerWaalsContact OD1-CA 3.24Å; D99-F406 WeakPolarHBondContact OD1-CA 3.43Å; D99-F406 PolarHBondContact OD1-N 3.03Å; D99-R407 VanDerWaalsContact CG-N 3.35Å; D99-R407 PolarHBondContact OD1-N 2.9Å; D99-R407 PolarHBondContact OD2-N 3.46Å; D99-S408 WeakPolarHBondContact OD2-CA 3.44Å; D99-S408 WeakPolarHBondContact OD2-CB 3.42Å; D99-S408 PolarHBondContact OD2-N 3.4Å; D99-S408 PolarHBondContact OD2-OG 2.9Å
100R64.9Low73.7Confident78 Ų7828.9 Ų28.929%0.29414%0.138SC..G310 helixtrans-131.544.3176.7-65.9-57.7-56.2-9711.1111.3N97 C98 D102 L103 E104N97-R100 CarbonylContact O-C 3.58Å; N97-R100 PolarHBondContact O-N 3.46Å; N97-R100 VanDerWaalsContact O-N 3.14Å; C98-R100 VanDerWaalsContact C-N 3.26Å; C98-R100 PolarHBondContact O-N 3.02Å; R100-D102 VanDerWaalsContact C-OD1 3.25Å; R100-D102 VanDerWaalsContact CA-OD1 3.23Å; R100-D102 WeakPolarHBondContact CA-OD1 3.47Å; R100-D102 IonicContact CZ-OD1 3.84Å; R100-D102 IonicContact CZ-OD2 3.51Å; R100-D102 IonicContact NE-OD1 3.79Å; R100-D102 PolarHBondContact NE-OD1 3.27Å; R100-D102 IonicContact NE-OD2 3.34Å; R100-D102 PolarHBondContact NE-OD2 2.7Å; R100-D102 IonicContact NH2-OD1 2.91Å; R100-D102 IonicContact NH2-OD2 2.8Å; R100-D102 PolarHBondContact NH2-OD2 3.44Å; R100-D102 PolarHBondContact O-N 3.4Å; R100-L103 HydrophobicContact CB-CB 4.18Å; R100-L103 HydrophobicContact CB-CD1 4.17Å; R100-L103 HydrophobicContact CB-CG 4.21Å; R100-L103 HydrophobicContact CG-CD1 4.27Å; R100-L103 VanDerWaalsContact CZ-CG 3.47Å; R100-L103 PolarHBondContact O-N 3.32Å; R100-E104 WeakPolarHBondContact O-CG 3.05Å; R100-E104 PolarHBondContact O-N 3.27Å
101S69.1Low73.8Confident0 Ų029.2 Ų29.20%014%0.14CC..Hα-helixtrans-54.6-22.3173.149.10000113.1N97 C98 S105 C161 R359 L362N97-S101 PolarHBondContact O-N 2.98Å; C98-S101 PolarHBondContact O-N 3.35Å; C98-S101 PolarHBondContact O-OG 3.4Å; S101-S105 WeakPolarHBondContact O-CB 3.41Å; S101-S105 PolarHBondContact O-N 3.44Å; S101-S105 PolarHBondContact O-OG 3.22Å; S101-C161 PolarHBondContact OG-SG 2.59Å; S101-C161 VanDerWaalsContact OG-SG 3.33Å; S101-R359 PolarHBondContact OG-NH1 2.94Å; S101-L362 VanDerWaalsContact OG-CD1 3.3Å; S101-L362 WeakPolarHBondContact OG-CD1 3.28Å
102D70.2Confident74Confident14 Ų1429.1 Ų29.18%0.07514%0.14CC..Hα-helixtrans-63.6-51.7167.463.7-48.2000112.8R100 S105 E106 L362 K363R100-D102 VanDerWaalsContact C-OD1 3.25Å; R100-D102 VanDerWaalsContact CA-OD1 3.23Å; R100-D102 WeakPolarHBondContact CA-OD1 3.47Å; R100-D102 IonicContact CZ-OD1 3.84Å; R100-D102 IonicContact CZ-OD2 3.51Å; R100-D102 IonicContact NE-OD1 3.79Å; R100-D102 PolarHBondContact NE-OD1 3.27Å; R100-D102 IonicContact NE-OD2 3.34Å; R100-D102 PolarHBondContact NE-OD2 2.7Å; R100-D102 IonicContact NH2-OD1 2.91Å; R100-D102 IonicContact NH2-OD2 2.8Å; R100-D102 PolarHBondContact NH2-OD2 3.44Å; R100-D102 PolarHBondContact O-N 3.4Å; D102-S105 PolarHBondContact O-N 3.03Å; D102-S105 PolarHBondContact O-OG 3.19Å; D102-E106 PolarHBondContact O-N 3.26Å; D102-E106 VanDerWaalsContact O-N 3.11Å; D102-L362 HydrophobicContact CB-CB 3.9Å; D102-L362 VanDerWaalsContact OD2-O 3.09Å; D102-K363 HydrophobicContact CB-CG 4.32Å
103L72.5Confident74.3Confident38 Ų3834 Ų3420%0.19916%0.161CC..Hα-helixtrans-68.6-37.8179.5-63.8-175.8000112M55 R100 S105 D107M55-L103 HydrophobicContact CE-CB 4.07Å; M55-L103 HydrophobicContact CE-CD1 3.47Å; M55-L103 VanDerWaalsContact CE-CD1 3.47Å; M55-L103 HydrophobicContact CE-CG 4.41Å; M55-L103 HydrophobicContact SD-CB 3.84Å; M55-L103 HydrophobicContact SD-CD1 4.13Å; R100-L103 HydrophobicContact CB-CB 4.18Å; R100-L103 HydrophobicContact CB-CD1 4.17Å; R100-L103 HydrophobicContact CB-CG 4.21Å; R100-L103 HydrophobicContact CG-CD1 4.27Å; R100-L103 VanDerWaalsContact CZ-CG 3.47Å; R100-L103 PolarHBondContact O-N 3.32Å; L103-S105 VanDerWaalsContact C-N 3.34Å; L103-D107 VanDerWaalsContact O-CB 3.31Å; L103-D107 WeakPolarHBondContact O-CB 3.32Å; L103-D107 PolarHBondContact O-N 3.47Å; L103-D107 VanDerWaalsContact O-N 3.16Å
104E78.2Confident75.3Confident1 Ų137.3 Ų37.31%0.00518%0.175CC..Hα-helixtrans-63.9-41.8173.2-62.4-73.4-178.200109.8R58 N97 R100 E106 D107 I108 W155R58-E104 IonicContact CZ-OE1 2.83Å; R58-E104 VanDerWaalsContact CZ-OE1 3.3Å; R58-E104 IonicContact CZ-OE2 3.69Å; R58-E104 IonicContact NH1-OE1 3.03Å; R58-E104 PolarHBondContact NH1-OE1 3.1Å; R58-E104 IonicContact NH1-OE2 3.51Å; R58-E104 PolarHBondContact NH1-OE2 2.87Å; R58-E104 IonicContact NH2-OE1 3.16Å; R58-E104 PolarHBondContact NH2-OE1 3.47Å; N97-E104 HydrophobicContact CB-CG 4.35Å; R100-E104 WeakPolarHBondContact O-CG 3.05Å; R100-E104 PolarHBondContact O-N 3.27Å; E104-E106 PolarHBondContact O-N 3.44Å; E104-D107 PolarHBondContact O-N 3.47Å; E104-I108 WeakPolarHBondContact O-CB 3.4Å; E104-I108 WeakPolarHBondContact O-CD1 3.47Å; E104-I108 WeakPolarHBondContact O-CG1 3.49Å; E104-I108 PolarHBondContact O-N 3.36Å; E104-W155 HydrophobicContact CB-CH2 4.06Å; E104-W155 HydrophobicContact CB-CZ3 3.99Å; E104-W155 HydrophobicContact CG-CH2 4.49Å
105S81.4Confident77Confident3 Ų336.9 Ų36.92%0.02117%0.173CC..Hα-helixtrans-62.9-41179.3720000113.6S101 D102 L103 W109 C161S101-S105 WeakPolarHBondContact O-CB 3.41Å; S101-S105 PolarHBondContact O-N 3.44Å; S101-S105 PolarHBondContact O-OG 3.22Å; D102-S105 PolarHBondContact O-N 3.03Å; D102-S105 PolarHBondContact O-OG 3.19Å; L103-S105 VanDerWaalsContact C-N 3.34Å; S105-W109 WeakPolarHBondContact O-CB 3.28Å; S105-W109 PolarHBondContact O-N 3.43Å; S105-C161 WeakPolarHBondContact CB-O 3.34Å; S105-C161 PolarHBondContact OG-O 3.42Å; S105-C161 VanDerWaalsContact OG-O 3.1Å
106E82.8Confident78.7Confident116 Ų11638.3 Ų38.354%0.54218%0.181SC..Hα-helixtrans-68.1-40.9178.1-174.6177-168.100111.1D102 E104 W109 T110D102-E106 PolarHBondContact O-N 3.26Å; D102-E106 VanDerWaalsContact O-N 3.11Å; E104-E106 PolarHBondContact O-N 3.44Å; E106-W109 PolarHBondContact O-N 2.85Å; E106-T110 WeakPolarHBondContact O-CB 3.4Å; E106-T110 PolarHBondContact O-N 3.06Å; E106-T110 PolarHBondContact O-OG1 2.72Å
107D85.5Confident80.3Confident18 Ų1842.6 Ų42.610%0.09620%0.197CC..Hα-helixtrans-65.5-47.3178.2-170.958.6000112K59 K62 L103 E104 W109 T110 T111K59-D107 WeakPolarHBondContact CE-OD1 3.25Å; K59-D107 WeakPolarHBondContact CG-OD1 3.14Å; K62-D107 WeakPolarHBondContact CE-OD2 3.42Å; K62-D107 IonicContact NZ-OD1 2.7Å; K62-D107 IonicContact NZ-OD2 3.91Å; K62-D107 PolarHBondContact NZ-OD2 3.31Å; L103-D107 VanDerWaalsContact O-CB 3.31Å; L103-D107 WeakPolarHBondContact O-CB 3.32Å; L103-D107 PolarHBondContact O-N 3.47Å; L103-D107 VanDerWaalsContact O-N 3.16Å; E104-D107 PolarHBondContact O-N 3.47Å; D107-W109 VanDerWaalsContact C-N 3.34Å; D107-W109 PolarHBondContact O-N 3.09Å; D107-T110 PolarHBondContact O-N 3.45Å; D107-T111 WeakPolarHBondContact O-CB 3.34Å; D107-T111 PolarHBondContact O-N 2.72Å; D107-T111 PolarHBondContact O-OG1 3.09Å
108I87.7Confident81.9Confident0 Ų040.8 Ų40.80%019%0.189CC..Hα-helixtrans-58.6-46.9173.6-70.7161.2000110.2L95 E104 T110 T111 I112 C152 W155 V156L95-I108 HydrophobicContact CD2-CD1 3.42Å; L95-I108 VanDerWaalsContact CD2-CD1 3.42Å; L95-I108 HydrophobicContact CD2-CG1 4.45Å; E104-I108 WeakPolarHBondContact O-CB 3.4Å; E104-I108 WeakPolarHBondContact O-CD1 3.47Å; E104-I108 WeakPolarHBondContact O-CG1 3.49Å; E104-I108 PolarHBondContact O-N 3.36Å; I108-T110 PolarHBondContact O-N 2.7Å; I108-T111 WeakPolarHBondContact O-CB 3.37Å; I108-T111 PolarHBondContact O-N 2.69Å; I108-I112 HydrophobicContact CG2-CD1 3.73Å; I108-I112 HydrophobicContact CG2-CG1 4.35Å; I108-I112 WeakPolarHBondContact O-CG1 3.24Å; I108-I112 PolarHBondContact O-N 3Å; I108-C152 HydrophobicContact CD1-CB 4.21Å; I108-C152 HydrophobicContact CG1-CB 4.28Å; I108-C152 HydrophobicContact CG2-CB 3.61Å; I108-W155 HydrophobicContact CD1-CE3 4.14Å; I108-W155 HydrophobicContact CD1-CZ3 4.18Å; I108-V156 HydrophobicContact CB-CG2 4.26Å; I108-V156 HydrophobicContact CD1-CG2 3.6Å; I108-V156 HydrophobicContact CG2-CG2 4.11Å
109W88.2Confident83.5Confident41 Ų4140.2 Ų40.216%0.15518%0.184CC..Hα-helixtrans-65.9-40.1-177.7-177.5-127.5000113.4S105 E106 D107 T111 I112 K113 P163 F167S105-W109 WeakPolarHBondContact O-CB 3.28Å; S105-W109 PolarHBondContact O-N 3.43Å; E106-W109 PolarHBondContact O-N 2.85Å; D107-W109 VanDerWaalsContact C-N 3.34Å; D107-W109 PolarHBondContact O-N 3.09Å; W109-T111 VanDerWaalsContact C-N 3.28Å; W109-T111 PolarHBondContact O-N 3.42Å; W109-I112 HydrophobicContact CE3-CB 4.28Å; W109-I112 HydrophobicContact CE3-CD1 4.47Å; W109-I112 HydrophobicContact CE3-CG2 4.11Å; W109-I112 HydrophobicContact CZ3-CG2 4Å; W109-I112 PolarHBondContact O-N 3.41Å; W109-K113 HydrophobicContact CZ2-CG 4.48Å; W109-K113 VanDerWaalsContact NE1-CE 3.26Å; W109-K113 WeakPolarHBondContact O-CG 3.46Å; W109-K113 PolarHBondContact O-N 3.11Å; W109-P163 HydrophobicContact CB-CB 3.89Å; W109-P163 HydrophobicContact CB-CG 3.58Å; W109-P163 HydrophobicContact CD2-CG 4.01Å; W109-P163 HydrophobicContact CG-CB 3.91Å; W109-P163 HydrophobicContact CG-CG 3.49Å; W109-P163 VanDerWaalsContact CG-CG 3.49Å; W109-F167 HydrophobicContact CD2-CD2 4.07Å; W109-F167 HydrophobicContact CD2-CE2 4.49Å; W109-F167 AromaticContact CE3-CD2 3.58Å; W109-F167 HydrophobicContact CE3-CD2 3.58Å; W109-F167 AromaticContact CE3-CE2 3.73Å; W109-F167 HydrophobicContact CE3-CE2 3.73Å; W109-F167 HydrophobicContact CH2-CD2 4.28Å; W109-F167 AromaticContact CZ3-CD2 3.71Å; W109-F167 HydrophobicContact CZ3-CD2 3.71Å; W109-F167 HydrophobicContact CZ3-CE2 4.01Å
110T89.2Confident85.1Confident83 Ų8340.2 Ų40.251%0.50918%0.184SC..Hα-helixtrans-62-41.7174-56.20000110.3E106 D107 I108 K113 E114E106-T110 WeakPolarHBondContact O-CB 3.4Å; E106-T110 PolarHBondContact O-N 3.06Å; E106-T110 PolarHBondContact O-OG1 2.72Å; D107-T110 PolarHBondContact O-N 3.45Å; I108-T110 PolarHBondContact O-N 2.7Å; T110-K113 PolarHBondContact O-N 2.78Å; T110-E114 PolarHBondContact O-N 3.49Å
111T91.5Very high86.4Confident6 Ų639.6 Ų39.64%0.03719%0.191CC..Hα-helixtrans-63.7-45.7176.2-50.10000111.9K62 L66 D107 I108 W109 K113 E114 L115 F149K62-T111 HydrophobicContact CD-CG2 3.92Å; K62-T111 WeakPolarHBondContact CD-OG1 3.34Å; K62-T111 PolarHBondContact NZ-OG1 3.11Å; L66-T111 HydrophobicContact CD1-CG2 4.26Å; L66-T111 HydrophobicContact CD2-CG2 4.41Å; D107-T111 WeakPolarHBondContact O-CB 3.34Å; D107-T111 PolarHBondContact O-N 2.72Å; D107-T111 PolarHBondContact O-OG1 3.09Å; I108-T111 WeakPolarHBondContact O-CB 3.37Å; I108-T111 PolarHBondContact O-N 2.69Å; W109-T111 VanDerWaalsContact C-N 3.28Å; W109-T111 PolarHBondContact O-N 3.42Å; T111-K113 VanDerWaalsContact C-N 3.32Å; T111-K113 PolarHBondContact O-N 3.31Å; T111-E114 PolarHBondContact O-N 3.1Å; T111-L115 HydrophobicContact CG2-CD1 4.09Å; T111-L115 HydrophobicContact CG2-CG 4.4Å; T111-L115 WeakPolarHBondContact O-CG 3.49Å; T111-L115 PolarHBondContact O-N 3.45Å; T111-F149 HydrophobicContact CG2-CD1 4.23Å; T111-F149 HydrophobicContact CG2-CE1 3.28Å; T111-F149 HydrophobicContact CG2-CE2 4.45Å; T111-F149 HydrophobicContact CG2-CZ 3.42Å; T111-F149 VanDerWaalsContact CG2-CZ 3.42Å
112I92.3Very high87.4Confident0 Ų044.1 Ų44.10%021%0.21CC..Hα-helixtrans-58.4-44.6176.7-74.2172.3000111.2I108 W109 E114 L115 N116 F149 A153 S172 I173I108-I112 HydrophobicContact CG2-CD1 3.73Å; I108-I112 HydrophobicContact CG2-CG1 4.35Å; I108-I112 WeakPolarHBondContact O-CG1 3.24Å; I108-I112 PolarHBondContact O-N 3Å; W109-I112 HydrophobicContact CE3-CB 4.28Å; W109-I112 HydrophobicContact CE3-CD1 4.47Å; W109-I112 HydrophobicContact CE3-CG2 4.11Å; W109-I112 HydrophobicContact CZ3-CG2 4Å; W109-I112 PolarHBondContact O-N 3.41Å; I112-E114 VanDerWaalsContact C-N 3.33Å; I112-E114 PolarHBondContact O-N 2.9Å; I112-L115 PolarHBondContact O-N 3.46Å; I112-N116 WeakPolarHBondContact O-CB 3.38Å; I112-N116 PolarHBondContact O-N 2.88Å; I112-N116 PolarHBondContact O-ND2 2.95Å; I112-F149 HydrophobicContact CG1-CB 4.05Å; I112-F149 HydrophobicContact CG1-CD1 3.9Å; I112-F149 HydrophobicContact CG1-CG 4.35Å; I112-A153 HydrophobicContact CD1-CB 4.1Å; I112-S172 WeakPolarHBondContact CG2-O 3.33Å; I112-I173 HydrophobicContact CB-CD1 4.39Å; I112-I173 HydrophobicContact CD1-CD1 4.09Å; I112-I173 HydrophobicContact CG1-CD1 3.83Å; I112-I173 HydrophobicContact CG2-CD1 3.83Å
113K91.3Very high88.5Confident117 Ų11743.5 Ų43.551%0.50921%0.207SC..Hα-helixtrans-59.9-44.2176.4-79.6178.2168.1177.70111.9W109 T110 T111 R117W109-K113 HydrophobicContact CZ2-CG 4.48Å; W109-K113 VanDerWaalsContact NE1-CE 3.26Å; W109-K113 WeakPolarHBondContact O-CG 3.46Å; W109-K113 PolarHBondContact O-N 3.11Å; T110-K113 PolarHBondContact O-N 2.78Å; T111-K113 VanDerWaalsContact C-N 3.32Å; T111-K113 PolarHBondContact O-N 3.31Å; K113-R117 VanDerWaalsContact O-CB 3.27Å; K113-R117 WeakPolarHBondContact O-CB 3.3Å; K113-R117 PolarHBondContact O-N 3.43Å; K113-R117 VanDerWaalsContact O-N 3.08Å
114E91.9Very high89.5Confident70 Ų7042.3 Ų42.333%0.32720%0.201SC..Hα-helixtrans-63.4-49.1178-16658.2-149.900110.8T110 T111 I112 N116 R117 S118T110-E114 PolarHBondContact O-N 3.49Å; T111-E114 PolarHBondContact O-N 3.1Å; I112-E114 VanDerWaalsContact C-N 3.33Å; I112-E114 PolarHBondContact O-N 2.9Å; E114-N116 PolarHBondContact O-N 3.47Å; E114-R117 PolarHBondContact O-N 2.77Å; E114-S118 PolarHBondContact O-N 2.77Å; E114-S118 PolarHBondContact O-OG 3.42Å; E114-S118 PolarHBondContact OE1-OG 3.11Å
115L93.6Very high90.2Very high0 Ų047 Ų470%022%0.224CC..Iπ-helixtrans-57.9-45.5178.5-69.7170.7000112.8L66 T111 I112 R117 V119 F120 F149L66-L115 HydrophobicContact CD2-CD2 3.73Å; L66-L115 HydrophobicContact CD2-CG 4.27Å; T111-L115 HydrophobicContact CG2-CD1 4.09Å; T111-L115 HydrophobicContact CG2-CG 4.4Å; T111-L115 WeakPolarHBondContact O-CG 3.49Å; T111-L115 PolarHBondContact O-N 3.45Å; I112-L115 PolarHBondContact O-N 3.46Å; L115-R117 PolarHBondContact O-N 3.13Å; L115-V119 HydrophobicContact CD2-CB 3.91Å; L115-V119 HydrophobicContact CD2-CG1 4.09Å; L115-V119 HydrophobicContact CD2-CG2 3.9Å; L115-V119 PolarHBondContact O-N 2.93Å; L115-V119 VanDerWaalsContact O-N 3.11Å; L115-F120 HydrophobicContact CB-CD2 3.82Å; L115-F120 HydrophobicContact CB-CE2 3.62Å; L115-F120 HydrophobicContact CB-CZ 4.49Å; L115-F120 HydrophobicContact CD1-CE2 4.39Å; L115-F120 WeakPolarHBondContact O-CD2 3.19Å; L115-F120 PolarHBondContact O-N 3.37Å; L115-F149 HydrophobicContact CD1-CB 4.43Å; L115-F149 HydrophobicContact CD1-CD1 4.02Å; L115-F149 HydrophobicContact CD1-CD2 3.24Å; L115-F149 HydrophobicContact CD1-CE1 4.07Å; L115-F149 HydrophobicContact CD1-CE2 3.32Å; L115-F149 HydrophobicContact CD1-CG 3.61Å; L115-F149 HydrophobicContact CD1-CZ 3.74Å
116N92.8Very high90.7Very high36 Ų3649 Ų4919%0.19323%0.232CC..Iπ-helixtrans-64.2-30.1176.7-75.9-29.9000112.6I112 E114 F120 P121 S172 V174I112-N116 WeakPolarHBondContact O-CB 3.38Å; I112-N116 PolarHBondContact O-N 2.88Å; I112-N116 PolarHBondContact O-ND2 2.95Å; E114-N116 PolarHBondContact O-N 3.47Å; N116-F120 WeakPolarHBondContact OD1-CD2 3.41Å; N116-P121 WeakPolarHBondContact O-CD 3.34Å; N116-P121 WeakPolarHBondContact O-CG 3.2Å; N116-S172 PolarHBondContact ND2-O 3.38Å; N116-V174 PolarHBondContact OD1-N 3.42Å
117R91Very high91.2Very high199 Ų19943.5 Ų43.575%0.75121%0.206SC*.Iπ-helixtrans-82.6-47.6-177.3-177-176.5179.1-178.2-0.9112.4K113 E114 L115K113-R117 VanDerWaalsContact O-CB 3.27Å; K113-R117 WeakPolarHBondContact O-CB 3.3Å; K113-R117 PolarHBondContact O-N 3.43Å; K113-R117 VanDerWaalsContact O-N 3.08Å; E114-R117 PolarHBondContact O-N 2.77Å; L115-R117 PolarHBondContact O-N 3.13Å
118S89.3Confident91.6Very high16 Ų1646.9 Ų46.911%0.11222%0.22CC..Iπ-helixtrans-112.8-30.9-165.465.10000114.2E70 E114 K122E70-S118 WeakPolarHBondContact OE1-CB 3.49Å; E70-S118 PolarHBondContact OE1-OG 3.14Å; E114-S118 PolarHBondContact O-N 2.77Å; E114-S118 PolarHBondContact O-OG 3.42Å; E114-S118 PolarHBondContact OE1-OG 3.11Å; S118-K122 VanDerWaalsContact O-CD 3.26Å; S118-K122 WeakPolarHBondContact O-CD 3.3Å; S118-K122 WeakPolarHBondContact O-CE 3.21Å; S118-K122 WeakPolarHBondContact O-CG 3.37Å
119V91.5Very high91.8Very high4 Ų453.1 Ų53.12%0.02425%0.249CC..Iπ-helixtrans-101-59-169.5175.60000112.3L69 E70 L115 K122 L123 L145L69-V119 HydrophobicContact CD2-CB 4.24Å; L69-V119 HydrophobicContact CD2-CG1 3.31Å; L69-V119 HydrophobicContact CD2-CG2 3.83Å; E70-V119 HydrophobicContact CG-CG2 3.91Å; L115-V119 HydrophobicContact CD2-CB 3.91Å; L115-V119 HydrophobicContact CD2-CG1 4.09Å; L115-V119 HydrophobicContact CD2-CG2 3.9Å; L115-V119 PolarHBondContact O-N 2.93Å; L115-V119 VanDerWaalsContact O-N 3.11Å; V119-K122 PolarHBondContact O-N 2.74Å; V119-L123 HydrophobicContact CG1-CD1 3.63Å; V119-L123 HydrophobicContact CG1-CG 4.13Å; V119-L123 WeakPolarHBondContact O-CG 3.34Å; V119-L123 PolarHBondContact O-N 2.85Å; V119-L145 HydrophobicContact CG1-CD1 3.94Å
120F92.8Very high91.9Very high4 Ų453.1 Ų53.12%0.01825%0.251CS..Hα-helixtrans-57.9-43.1-174.6-75.7-55.3000113.5L115 N116 K122 L123 C124 Y142 L145 A146 I173L115-F120 HydrophobicContact CB-CD2 3.82Å; L115-F120 HydrophobicContact CB-CE2 3.62Å; L115-F120 HydrophobicContact CB-CZ 4.49Å; L115-F120 HydrophobicContact CD1-CE2 4.39Å; L115-F120 WeakPolarHBondContact O-CD2 3.19Å; L115-F120 PolarHBondContact O-N 3.37Å; N116-F120 WeakPolarHBondContact OD1-CD2 3.41Å; F120-K122 PolarHBondContact O-N 2.97Å; F120-L123 PolarHBondContact O-N 3.23Å; F120-C124 WeakPolarHBondContact O-CB 3.39Å; F120-C124 PolarHBondContact O-N 3.26Å; F120-Y142 HydrophobicContact CB-CE2 4.39Å; F120-Y142 AromaticContact CD1-CD2 3.83Å; F120-Y142 HydrophobicContact CD1-CD2 3.83Å; F120-Y142 AromaticContact CD1-CE2 3.59Å; F120-Y142 HydrophobicContact CD1-CE2 3.59Å; F120-Y142 HydrophobicContact CE1-CD2 4.42Å; F120-Y142 HydrophobicContact CE1-CE2 4.37Å; F120-Y142 HydrophobicContact CG-CE2 4.43Å; F120-L145 HydrophobicContact CE1-CB 3.78Å; F120-L145 HydrophobicContact CZ-CB 3.87Å; F120-A146 HydrophobicContact CE1-CB 4.12Å; F120-A146 HydrophobicContact CZ-CB 4.31Å; F120-I173 HydrophobicContact CD2-CG2 4.42Å; F120-I173 HydrophobicContact CE2-CG2 3.72Å; F120-I173 HydrophobicContact CZ-CG2 3.82Å
121P91.5Very high91.9Very high66 Ų6659.3 Ų59.343%0.42927%0.271SS..Hα-helixtrans-60-44.1177.8-25.435.7000112.8N116 C124 E125N116-P121 WeakPolarHBondContact O-CD 3.34Å; N116-P121 WeakPolarHBondContact O-CG 3.2Å; P121-C124 PolarHBondContact O-N 2.74Å; P121-E125 PolarHBondContact O-N 3.27Å; P121-E125 VanDerWaalsContact O-N 3.14Å
122K91.3Very high91.7Very high94 Ų9461.2 Ų61.241%0.40928%0.282SS..Hα-helixtrans-66.1-45.9-179.9-65.7-178.6-172.8169.60111.8S118 V119 F120 K126S118-K122 VanDerWaalsContact O-CD 3.26Å; S118-K122 WeakPolarHBondContact O-CD 3.3Å; S118-K122 WeakPolarHBondContact O-CE 3.21Å; S118-K122 WeakPolarHBondContact O-CG 3.37Å; V119-K122 PolarHBondContact O-N 2.74Å; F120-K122 PolarHBondContact O-N 2.97Å; K122-K126 WeakPolarHBondContact O-CG 3.45Å; K122-K126 PolarHBondContact O-N 3.08Å; K122-K126 VanDerWaalsContact O-N 3.14Å
123L92.8Very high91.6Very high1 Ų167 Ų671%0.00531%0.313CS..Hα-helixtrans-65.4-40.6178.7-67.2-175.7000111.4L80 V119 F120 K126 V127 L138 Y142 L145L80-L123 HydrophobicContact CD1-CD2 4.4Å; L80-L123 HydrophobicContact CD2-CD2 3.79Å; V119-L123 HydrophobicContact CG1-CD1 3.63Å; V119-L123 HydrophobicContact CG1-CG 4.13Å; V119-L123 WeakPolarHBondContact O-CG 3.34Å; V119-L123 PolarHBondContact O-N 2.85Å; F120-L123 PolarHBondContact O-N 3.23Å; L123-K126 PolarHBondContact O-N 3.37Å; L123-V127 VanDerWaalsContact O-CG2 3.3Å; L123-V127 WeakPolarHBondContact O-CG2 3.48Å; L123-V127 PolarHBondContact O-N 3.42Å; L123-L138 HydrophobicContact CD2-CD1 3.75Å; L123-Y142 HydrophobicContact CB-CD2 3.81Å; L123-L145 HydrophobicContact CD1-CD1 3.96Å
124C92.8Very high91.6Very high13 Ų1365 Ų659%0.08831%0.308CS..Hα-helixtrans-56.8-51.9176.8-178.30000111.4F120 P121 K126 V127 K128 Y142F120-C124 WeakPolarHBondContact O-CB 3.39Å; F120-C124 PolarHBondContact O-N 3.26Å; P121-C124 PolarHBondContact O-N 2.74Å; C124-K126 VanDerWaalsContact C-N 3.32Å; C124-K126 PolarHBondContact O-N 2.81Å; C124-V127 PolarHBondContact O-N 2.89Å; C124-K128 WeakPolarHBondContact O-CG 3.47Å; C124-K128 PolarHBondContact O-N 3.01Å; C124-K128 VanDerWaalsContact O-N 3.07Å; C124-Y142 HydrophobicContact CB-CE2 4.17Å
125E92.2Very high91.7Very high101 Ų10162.4 Ų62.447%0.47230%0.297SS..Hα-helixtrans-58.9-43177.5-73.9-58.9128.500112.3P121 V127 K128 Q129P121-E125 PolarHBondContact O-N 3.27Å; P121-E125 VanDerWaalsContact O-N 3.14Å; E125-V127 PolarHBondContact O-N 3.47Å; E125-K128 PolarHBondContact O-N 3.08Å; E125-Q129 VanDerWaalsContact O-CG 3.27Å; E125-Q129 WeakPolarHBondContact O-CG 3.45Å; E125-Q129 PolarHBondContact O-N 3.35Å
126K92.7Very high91.7Very high45 Ų4562.6 Ų62.620%0.19630%0.298CS..Hα-helixtrans-65.9-37.9178.4-73.3-180164174.90113S73 E74 K122 L123 C124 Q129 Q130 L138S73-K126 PolarHBondContact O-NZ 2.85Å; E74-K126 IonicContact OE1-NZ 3.8Å; E74-K126 PolarHBondContact OE1-NZ 3.31Å; E74-K126 IonicContact OE2-NZ 2.94Å; E74-K126 PolarHBondContact OE2-NZ 3.45Å; K122-K126 WeakPolarHBondContact O-CG 3.45Å; K122-K126 PolarHBondContact O-N 3.08Å; K122-K126 VanDerWaalsContact O-N 3.14Å; L123-K126 PolarHBondContact O-N 3.37Å; C124-K126 VanDerWaalsContact C-N 3.32Å; C124-K126 PolarHBondContact O-N 2.81Å; K126-Q129 PolarHBondContact O-N 2.91Å; K126-Q130 WeakPolarHBondContact O-CG 3.47Å; K126-Q130 PolarHBondContact O-N 2.95Å; K126-L138 HydrophobicContact CB-CD1 4.47Å; K126-L138 HydrophobicContact CB-CD2 3.68Å
127V93.5Very high91.9Very high0 Ų060.9 Ų60.90%029%0.289CS..Hα-helixtrans-64.2-44.2176173.50000110.5L123 C124 E125 Q129 Q130 L138 I179 H182L123-V127 VanDerWaalsContact O-CG2 3.3Å; L123-V127 WeakPolarHBondContact O-CG2 3.48Å; L123-V127 PolarHBondContact O-N 3.42Å; C124-V127 PolarHBondContact O-N 2.89Å; E125-V127 PolarHBondContact O-N 3.47Å; V127-Q129 PolarHBondContact O-N 3.41Å; V127-Q130 WeakPolarHBondContact O-CB 3.29Å; V127-Q130 PolarHBondContact O-N 3.42Å; V127-L138 HydrophobicContact CG2-CD2 3.96Å; V127-L138 HydrophobicContact CG2-CG 3.89Å; V127-I179 HydrophobicContact CB-CD1 4.23Å; V127-I179 HydrophobicContact CB-CG2 4.49Å; V127-I179 HydrophobicContact CG1-CD1 4.11Å; V127-I179 HydrophobicContact CG1-CG2 3.89Å; V127-H182 HydrophobicContact CG1-CB 4.46Å
128K92.8Very high92.1Very high88 Ų8851.7 Ų51.738%0.38326%0.255SS..Hα-helixtrans-59.6-29.1176.2-68.8176.8180173.20113.5C124 E125 Q130 D176 I179C124-K128 WeakPolarHBondContact O-CG 3.47Å; C124-K128 PolarHBondContact O-N 3.01Å; C124-K128 VanDerWaalsContact O-N 3.07Å; E125-K128 PolarHBondContact O-N 3.08Å; K128-Q130 VanDerWaalsContact C-N 3.32Å; K128-D176 WeakPolarHBondContact CE-OD2 3.27Å; K128-D176 IonicContact NZ-OD2 3.09Å; K128-D176 PolarHBondContact NZ-OD2 3.46Å; K128-I179 HydrophobicContact CD-CD1 4.22Å; K128-I179 HydrophobicContact CG-CD1 3.49Å; K128-I179 VanDerWaalsContact CG-CD1 3.49Å
129Q92.5Very high92.4Very high132 Ų13250.9 Ų50.962%0.61725%0.249SC*.THydrogen-bonded Turntrans-83-6.6179.9-68169.715.300113.4E125 K126 V127 K131E125-Q129 VanDerWaalsContact O-CG 3.27Å; E125-Q129 WeakPolarHBondContact O-CG 3.45Å; E125-Q129 PolarHBondContact O-N 3.35Å; K126-Q129 PolarHBondContact O-N 2.91Å; V127-Q129 PolarHBondContact O-N 3.41Å; Q129-K131 PolarHBondContact O-N 3.47Å
130Q91.6Very high92.6Very high40 Ų4050.7 Ų50.719%0.18725%0.248CC..  trans-69.8123.8-179.4-65.7-162.6-55.300111.5K126 V127 K128 T132 S136 L138 S139 T184K126-Q130 WeakPolarHBondContact O-CG 3.47Å; K126-Q130 PolarHBondContact O-N 2.95Å; V127-Q130 WeakPolarHBondContact O-CB 3.29Å; V127-Q130 PolarHBondContact O-N 3.42Å; K128-Q130 VanDerWaalsContact C-N 3.32Å; Q130-T132 HydrophobicContact CB-CG2 4.47Å; Q130-T132 PolarHBondContact O-N 3.42Å; Q130-S136 PolarHBondContact NE2-OG 3.46Å; Q130-S136 VanDerWaalsContact NE2-OG 3.17Å; Q130-S136 PolarHBondContact OE1-OG 2.89Å; Q130-L138 HydrophobicContact CG-CD2 4.13Å; Q130-S139 PolarHBondContact OE1-OG 3.05Å; Q130-S139 VanDerWaalsContact OE1-OG 3.08Å; Q130-T184 HydrophobicContact CB-CG2 4.03Å; Q130-T184 PolarHBondContact OE1-OG1 3.35Å
131K88.2Confident92.8Very high214 Ų21450.5 Ų50.593%0.9325%0.247SC*.  trans-98.941.3178.7-59.6-176.8-178178.70112.4Q129Q129-K131 PolarHBondContact O-N 3.47Å
132T88.1Confident92.9Very high45 Ų4547.4 Ų47.428%0.27623%0.227SC..  trans-131.9148.1178.9-177.60000110.2Q130 L134 T184Q130-T132 HydrophobicContact CB-CG2 4.47Å; Q130-T132 PolarHBondContact O-N 3.42Å; T132-L134 PolarHBondContact OG1-N 3.25Å; T132-T184 HydrophobicContact CG2-CG2 3.62Å; T132-T184 WeakPolarHBondContact O-CG2 3.49Å
133N88.7Confident93.1Very high123 Ų12343 Ų4366%0.65821%0.208SC*.SBendtrans-98.56174.665.4-19.3000112.5P183N133-P183 HydrophobicContact CB-CB 4.29Å
134L91.6Very high93.3Very high74 Ų7442.9 Ų42.939%0.38721%0.207SC..SBendtrans-98.6146.8-179.5-60.5176.8000111.1V29 T132 S136 T184V29-L134 HydrophobicContact CG1-CB 3.59Å; V29-L134 HydrophobicContact CG1-CD1 3.7Å; V29-L134 HydrophobicContact CG1-CG 4.29Å; T132-L134 PolarHBondContact OG1-N 3.25Å; L134-S136 PolarHBondContact O-N 2.89Å; L134-T184 WeakPolarHBondContact O-CA 3.05Å; L134-T184 WeakPolarHBondContact O-CG2 3.27Å
135P93.5Very high93.4Very high16 Ų1642.3 Ų42.310%0.10420%0.203CC..  trans-59.4138.5178.1-21.432.5000112.1I30 T184 P186I30-P135 HydrophobicContact CB-CB 4.2Å; I30-P135 HydrophobicContact CD1-CB 4.21Å; I30-P135 PolarHBondContact N-O 3.42Å; P135-T184 CarbonylContact C-O 3.54Å; P135-T184 WeakPolarHBondContact CA-O 3.4Å; P135-P186 HydrophobicContact CB-CG 4.29Å
136S95.4Very high93.5Very high3 Ų337.5 Ų37.52%0.02118%0.181CC..BIsolated β-bridgetrans-126.2151.6-173.778.60000113.3D28 Q130 L134 L138 S139 W140 T184D28-S136 WeakPolarHBondContact O-CA 3.36Å; Q130-S136 PolarHBondContact NE2-OG 3.46Å; Q130-S136 VanDerWaalsContact NE2-OG 3.17Å; Q130-S136 PolarHBondContact OE1-OG 2.89Å; L134-S136 PolarHBondContact O-N 2.89Å; S136-L138 VanDerWaalsContact C-N 3.25Å; S136-L138 PolarHBondContact O-N 3.48Å; S136-S139 PolarHBondContact O-N 2.81Å; S136-S139 WeakPolarHBondContact OG-CB 3.43Å; S136-S139 PolarHBondContact OG-N 3.01Å; S136-S139 PolarHBondContact OG-OG 3.04Å; S136-S139 VanDerWaalsContact OG-OG 3.13Å; S136-W140 WeakPolarHBondContact O-CB 3.35Å; S136-W140 PolarHBondContact O-N 3.2Å; S136-T184 PolarHBondContact N-O 2.9Å
137L95.6Very high93.5Very high0 Ų035.3 Ų35.30%017%0.171CC..Hα-helixtrans-63-31.7176-73.3-178.8000113.3L26 D27 D28 I30 N77 P78 C81 W140 S141 A219L26-L137 HydrophobicContact CB-CD1 3.99Å; L26-L137 HydrophobicContact CD2-CD1 4.42Å; L26-L137 HydrophobicContact CD2-CD2 4.01Å; D27-L137 WeakPolarHBondContact O-CD1 3.32Å; D27-L137 WeakPolarHBondContact O-CG 3.44Å; D28-L137 PolarHBondContact O-N 3.19Å; I30-L137 HydrophobicContact CD1-CD2 4.38Å; I30-L137 HydrophobicContact CG1-CD2 4.12Å; I30-L137 HydrophobicContact CG1-CG 4.42Å; N77-L137 HydrophobicContact CB-CB 3.94Å; P78-L137 HydrophobicContact CG-CD1 4.16Å; C81-L137 HydrophobicContact CB-CD1 4.43Å; C81-L137 HydrophobicContact CB-CD2 4.32Å; L137-W140 PolarHBondContact O-N 3.07Å; L137-S141 WeakPolarHBondContact O-CB 3.42Å; L137-S141 PolarHBondContact O-N 2.68Å; L137-S141 PolarHBondContact O-OG 2.95Å; L137-A219 HydrophobicContact CD2-CB 4.26Å; L137-A219 WeakPolarHBondContact CD2-O 3.17Å
138L95.3Very high93.5Very high6 Ų635.3 Ų35.33%0.03117%0.171CC..Hα-helixtrans-61.9-50175.5178.269.1000110.6L80 L123 K126 V127 Q130 S136 S141 Y142L80-L138 HydrophobicContact CD2-CD1 3.69Å; L123-L138 HydrophobicContact CD2-CD1 3.75Å; K126-L138 HydrophobicContact CB-CD1 4.47Å; K126-L138 HydrophobicContact CB-CD2 3.68Å; V127-L138 HydrophobicContact CG2-CD2 3.96Å; V127-L138 HydrophobicContact CG2-CG 3.89Å; Q130-L138 HydrophobicContact CG-CD2 4.13Å; S136-L138 VanDerWaalsContact C-N 3.25Å; S136-L138 PolarHBondContact O-N 3.48Å; L138-S141 PolarHBondContact O-N 3.33Å; L138-Y142 PolarHBondContact O-N 2.97Å; L138-Y142 VanDerWaalsContact O-N 3.09Å
139S95.2Very high93.4Very high0 Ų031.1 Ų31.10%015%0.153CC..Hα-helixtrans-67.6-37.5179.3-63.70000111.7Q130 S136 C143 T184Q130-S139 PolarHBondContact OE1-OG 3.05Å; Q130-S139 VanDerWaalsContact OE1-OG 3.08Å; S136-S139 PolarHBondContact O-N 2.81Å; S136-S139 WeakPolarHBondContact OG-CB 3.43Å; S136-S139 PolarHBondContact OG-N 3.01Å; S136-S139 PolarHBondContact OG-OG 3.04Å; S136-S139 VanDerWaalsContact OG-OG 3.13Å; S139-C143 WeakPolarHBondContact O-CB 3.37Å; S139-C143 PolarHBondContact O-N 3.22Å; S139-C143 PolarHBondContact O-SG 3.06Å; S139-T184 VanDerWaalsContact CB-O 3.24Å; S139-T184 WeakPolarHBondContact CB-O 3.03Å; S139-T184 WeakPolarHBondContact OG-CB 3.4Å; S139-T184 PolarHBondContact OG-OG1 3.37Å
140W96.2Very high93.3Very high0 Ų025.5 Ų25.50%013%0.126CC..Hα-helixtrans-58-48.5171.2-179.191.3000111I30 C81 T84 L85 S136 L137 Y142 C143 M144 P186 L189 I215 F216 S218 A219I30-W140 HydrophobicContact CD1-CB 4.11Å; C81-W140 HydrophobicContact CB-CZ3 4.36Å; C81-W140 WeakPolarHBondContact SG-CZ3 3.33Å; T84-W140 HydrophobicContact CG2-CZ3 3.99Å; L85-W140 HydrophobicContact CB-CH2 4.32Å; S136-W140 WeakPolarHBondContact O-CB 3.35Å; S136-W140 PolarHBondContact O-N 3.2Å; L137-W140 PolarHBondContact O-N 3.07Å; W140-Y142 PolarHBondContact O-N 3.47Å; W140-C143 PolarHBondContact O-N 3.27Å; W140-M144 HydrophobicContact CD2-CG 3.48Å; W140-M144 VanDerWaalsContact CD2-CG 3.48Å; W140-M144 HydrophobicContact CE3-CB 4.46Å; W140-M144 HydrophobicContact CE3-CG 3.78Å; W140-M144 HydrophobicContact CG-CG 4.14Å; W140-M144 HydrophobicContact CH2-CB 4.42Å; W140-M144 HydrophobicContact CH2-CE 4.21Å; W140-M144 HydrophobicContact CH2-CG 3.65Å; W140-M144 HydrophobicContact CH2-SD 4.34Å; W140-M144 HydrophobicContact CZ2-CE 3.9Å; W140-M144 HydrophobicContact CZ2-CG 3.34Å; W140-M144 HydrophobicContact CZ2-SD 3.65Å; W140-M144 HydrophobicContact CZ3-CB 4.38Å; W140-M144 HydrophobicContact CZ3-CG 3.85Å; W140-M144 WeakPolarHBondContact O-CB 3.43Å; W140-M144 WeakPolarHBondContact O-CG 3.36Å; W140-M144 PolarHBondContact O-N 2.74Å; W140-P186 HydrophobicContact CB-CG 4.1Å; W140-L189 HydrophobicContact CB-CD1 4.41Å; W140-L189 HydrophobicContact CG-CD1 3.97Å; W140-I215 PolarHBondContact NE1-O 3.45Å; W140-F216 HydrophobicContact CZ2-CD1 4.39Å; W140-S218 VanDerWaalsContact CD1-OG 3.24Å; W140-S218 PolarHBondContact NE1-OG 3.39Å; W140-S218 VanDerWaalsContact NE1-OG 3.12Å; W140-A219 HydrophobicContact CD2-CB 3.89Å; W140-A219 HydrophobicContact CE3-CB 4.39Å; W140-A219 HydrophobicContact CG-CB 4.34Å; W140-A219 HydrophobicContact CH2-CB 4.28Å; W140-A219 HydrophobicContact CZ2-CB 3.76Å
141S96.3Very high93.1Very high0 Ų023.6 Ų23.60%012%0.117CC..Hα-helixtrans-62-44.7-177.5-590000111.7L137 L138 C143 M144 L145L137-S141 WeakPolarHBondContact O-CB 3.42Å; L137-S141 PolarHBondContact O-N 2.68Å; L137-S141 PolarHBondContact O-OG 2.95Å; L138-S141 PolarHBondContact O-N 3.33Å; S141-C143 PolarHBondContact O-N 2.9Å; S141-M144 PolarHBondContact O-N 2.94Å; S141-L145 VanDerWaalsContact O-CG 3.3Å; S141-L145 WeakPolarHBondContact O-CG 3.45Å; S141-L145 PolarHBondContact O-N 3.02Å; S141-L145 VanDerWaalsContact O-N 3.13Å
142Y95.2Very high93Very high1 Ų113.4 Ų13.40%0.0047%0.073CC..Hα-helixtrans-56.2-52173.4176.5-92.7000111.9F120 L123 C124 L138 W140 M144 L145 A146 I175 D176 I179F120-Y142 HydrophobicContact CB-CE2 4.39Å; F120-Y142 AromaticContact CD1-CD2 3.83Å; F120-Y142 HydrophobicContact CD1-CD2 3.83Å; F120-Y142 AromaticContact CD1-CE2 3.59Å; F120-Y142 HydrophobicContact CD1-CE2 3.59Å; F120-Y142 HydrophobicContact CE1-CD2 4.42Å; F120-Y142 HydrophobicContact CE1-CE2 4.37Å; F120-Y142 HydrophobicContact CG-CE2 4.43Å; L123-Y142 HydrophobicContact CB-CD2 3.81Å; C124-Y142 HydrophobicContact CB-CE2 4.17Å; L138-Y142 PolarHBondContact O-N 2.97Å; L138-Y142 VanDerWaalsContact O-N 3.09Å; W140-Y142 PolarHBondContact O-N 3.47Å; Y142-M144 PolarHBondContact O-N 3.42Å; Y142-L145 PolarHBondContact O-N 3.21Å; Y142-A146 WeakPolarHBondContact O-CB 3.48Å; Y142-A146 PolarHBondContact O-N 2.96Å; Y142-I175 HydrophobicContact CE1-CG2 4.4Å; Y142-D176 PolarHBondContact OH-N 2.88Å; Y142-I179 HydrophobicContact CD1-CG2 3.89Å; Y142-I179 HydrophobicContact CE1-CB 4.26Å; Y142-I179 HydrophobicContact CE1-CG2 3.7Å
143C95.5Very high92.9Very high0 Ų011.2 Ų11.20%06%0.06CC..Hα-helixtrans-67.3-35.7-176.5-69.30000112.8S139 W140 S141 A146 F147 L189 L193S139-C143 WeakPolarHBondContact O-CB 3.37Å; S139-C143 PolarHBondContact O-N 3.22Å; S139-C143 PolarHBondContact O-SG 3.06Å; W140-C143 PolarHBondContact O-N 3.27Å; S141-C143 PolarHBondContact O-N 2.9Å; C143-A146 PolarHBondContact O-N 3.04Å; C143-F147 WeakPolarHBondContact O-CB 3.37Å; C143-F147 PolarHBondContact O-N 3.02Å; C143-L189 HydrophobicContact CB-CB 3.95Å; C143-L189 HydrophobicContact CB-CD1 3.75Å; C143-L189 HydrophobicContact CB-CD2 4.4Å; C143-L189 HydrophobicContact CB-CG 4.26Å; C143-L193 HydrophobicContact CB-CD1 3.62Å
144M96Very high92.6Very high0 Ų06.5 Ų6.50%03%0.034CC..Hα-helixtrans-65-44.4176.7-79.3-63-58.300113T84 C88 W140 S141 Y142 A146 T148 L189 I215 F216T84-M144 HydrophobicContact CG2-CB 3.82Å; C88-M144 HydrophobicContact CB-CE 4.28Å; W140-M144 HydrophobicContact CD2-CG 3.48Å; W140-M144 VanDerWaalsContact CD2-CG 3.48Å; W140-M144 HydrophobicContact CE3-CB 4.46Å; W140-M144 HydrophobicContact CE3-CG 3.78Å; W140-M144 HydrophobicContact CG-CG 4.14Å; W140-M144 HydrophobicContact CH2-CB 4.42Å; W140-M144 HydrophobicContact CH2-CE 4.21Å; W140-M144 HydrophobicContact CH2-CG 3.65Å; W140-M144 HydrophobicContact CH2-SD 4.34Å; W140-M144 HydrophobicContact CZ2-CE 3.9Å; W140-M144 HydrophobicContact CZ2-CG 3.34Å; W140-M144 HydrophobicContact CZ2-SD 3.65Å; W140-M144 HydrophobicContact CZ3-CB 4.38Å; W140-M144 HydrophobicContact CZ3-CG 3.85Å; W140-M144 WeakPolarHBondContact O-CB 3.43Å; W140-M144 WeakPolarHBondContact O-CG 3.36Å; W140-M144 PolarHBondContact O-N 2.74Å; S141-M144 PolarHBondContact O-N 2.94Å; Y142-M144 PolarHBondContact O-N 3.42Å; M144-A146 VanDerWaalsContact C-N 3.35Å; M144-T148 VanDerWaalsContact O-CB 3.24Å; M144-T148 WeakPolarHBondContact O-CB 3.26Å; M144-T148 PolarHBondContact O-N 3.42Å; M144-T148 PolarHBondContact O-OG1 3.34Å; M144-L189 HydrophobicContact CG-CD1 4.17Å; M144-L189 HydrophobicContact SD-CD1 4.32Å; M144-L189 HydrophobicContact SD-CD2 3.89Å; M144-I215 HydrophobicContact CE-CG2 3.65Å; M144-I215 HydrophobicContact SD-CB 4.49Å; M144-I215 HydrophobicContact SD-CG2 3.07Å; M144-I215 WeakPolarHBondContact SD-CG2 3.3Å; M144-F216 HydrophobicContact CE-CD1 3.93Å; M144-F216 HydrophobicContact CE-CE1 3.71Å; M144-F216 HydrophobicContact CE-CG 4.48Å; M144-F216 HydrophobicContact CE-CZ 4.07Å
145L95.6Very high92Very high0 Ų03.5 Ų3.50%02%0.017CC..Hα-helixtrans-61.8-47.5174.8-69169.1000109.9L69 T84 L87 V119 F120 L123 S141 Y142 F147 T148 F149L69-L145 HydrophobicContact CD1-CD1 3.96Å; L69-L145 HydrophobicContact CD1-CD2 3.93Å; L69-L145 HydrophobicContact CD1-CG 4.5Å; L69-L145 HydrophobicContact CD2-CD1 4.29Å; T84-L145 HydrophobicContact CG2-CD2 3.99Å; T84-L145 HydrophobicContact CG2-CG 3.83Å; L87-L145 HydrophobicContact CD2-CD2 3.86Å; V119-L145 HydrophobicContact CG1-CD1 3.94Å; F120-L145 HydrophobicContact CE1-CB 3.78Å; F120-L145 HydrophobicContact CZ-CB 3.87Å; L123-L145 HydrophobicContact CD1-CD1 3.96Å; S141-L145 VanDerWaalsContact O-CG 3.3Å; S141-L145 WeakPolarHBondContact O-CG 3.45Å; S141-L145 PolarHBondContact O-N 3.02Å; S141-L145 VanDerWaalsContact O-N 3.13Å; Y142-L145 PolarHBondContact O-N 3.21Å; L145-F147 PolarHBondContact O-N 3.41Å; L145-T148 PolarHBondContact O-N 3.46Å; L145-F149 HydrophobicContact CD2-CE2 4.18Å; L145-F149 WeakPolarHBondContact O-CD2 3.33Å; L145-F149 PolarHBondContact O-N 3.32Å
146A94.2Very high91.3Very high0 Ų02.8 Ų2.80%01%0.012CC..Hα-helixtrans-57.7-51.3178.900000111.5F120 Y142 C143 M144 T148 Y150 I173 I175 L193F120-A146 HydrophobicContact CE1-CB 4.12Å; F120-A146 HydrophobicContact CZ-CB 4.31Å; Y142-A146 WeakPolarHBondContact O-CB 3.48Å; Y142-A146 PolarHBondContact O-N 2.96Å; C143-A146 PolarHBondContact O-N 3.04Å; M144-A146 VanDerWaalsContact C-N 3.35Å; A146-T148 PolarHBondContact O-N 3.39Å; A146-Y150 WeakPolarHBondContact O-CB 3.47Å; A146-Y150 PolarHBondContact O-N 3.31Å; A146-I173 HydrophobicContact CB-CG2 4.34Å; A146-I175 HydrophobicContact CB-CD1 3.83Å; A146-I175 HydrophobicContact CB-CG1 4.14Å; A146-L193 HydrophobicContact CB-CD2 4.15Å
147F92.6Very high90.5Very high0 Ų06.5 Ų6.50%03%0.029CC..Hα-helixtrans-58.1-50.6178.5165.3-100.7000111.6L92 C143 L145 Y150 A151 I192 L193 Q196 L212 I215 I243L92-F147 HydrophobicContact CD1-CE1 4.25Å; C143-F147 WeakPolarHBondContact O-CB 3.37Å; C143-F147 PolarHBondContact O-N 3.02Å; L145-F147 PolarHBondContact O-N 3.41Å; F147-Y150 PolarHBondContact O-N 2.83Å; F147-A151 WeakPolarHBondContact O-CB 3.2Å; F147-A151 PolarHBondContact O-N 3.11Å; F147-I192 HydrophobicContact CD2-CG2 3.47Å; F147-I192 VanDerWaalsContact CD2-CG2 3.47Å; F147-I192 HydrophobicContact CE2-CG2 3.55Å; F147-I192 HydrophobicContact CG-CG2 4.44Å; F147-L193 HydrophobicContact CB-CD2 3.83Å; F147-L193 HydrophobicContact CB-CG 4.47Å; F147-Q196 PolarHBondContact O-NE2 2.84Å; F147-L212 HydrophobicContact CE1-CD2 4.21Å; F147-I215 HydrophobicContact CD1-CD1 4.21Å; F147-I215 HydrophobicContact CD1-CG2 4.4Å; F147-I215 HydrophobicContact CE1-CD1 3.59Å; F147-I215 HydrophobicContact CE2-CD1 4Å; F147-I215 HydrophobicContact CZ-CD1 3.46Å; F147-I215 VanDerWaalsContact CZ-CD1 3.46Å; F147-I243 HydrophobicContact CE1-CD1 4.37Å; F147-I243 HydrophobicContact CE2-CD1 4.19Å; F147-I243 HydrophobicContact CZ-CD1 3.62Å; F147-I243 HydrophobicContact CZ-CG1 4.19Å
148T92.6Very high89.4Confident0 Ų010.9 Ų10.90%05%0.053CC..Hα-helixtrans-62.8-48.7-174.7-61.70000111.1C88 E91 L92 M144 L145 A146 A151 C152C88-T148 HydrophobicContact CB-CG2 4.13Å; C88-T148 WeakPolarHBondContact CB-OG1 3.46Å; C88-T148 PolarHBondContact SG-OG1 2.87Å; E91-T148 HydrophobicContact CB-CG2 4Å; L92-T148 HydrophobicContact CD1-CG2 4.06Å; L92-T148 HydrophobicContact CD2-CG2 3.91Å; L92-T148 HydrophobicContact CG-CG2 3.63Å; M144-T148 VanDerWaalsContact O-CB 3.24Å; M144-T148 WeakPolarHBondContact O-CB 3.26Å; M144-T148 PolarHBondContact O-N 3.42Å; M144-T148 PolarHBondContact O-OG1 3.34Å; L145-T148 PolarHBondContact O-N 3.46Å; A146-T148 PolarHBondContact O-N 3.39Å; T148-A151 WeakPolarHBondContact O-CB 3.48Å; T148-A151 PolarHBondContact O-N 2.83Å; T148-C152 PolarHBondContact O-N 3.43Å; T148-C152 PolarHBondContact O-SG 2.77Å
149F92.4Very high88Confident0 Ų012 Ų120%06%0.058CC..Hα-helixtrans-78.6-23.6-176.2-76.5-79.2000113.3L87 E91 T111 I112 L115 L145 A153 I173L87-F149 HydrophobicContact CD1-CZ 4.24Å; L87-F149 HydrophobicContact CD2-CE2 3.98Å; L87-F149 HydrophobicContact CD2-CZ 4.12Å; L87-F149 HydrophobicContact CG-CE2 4.12Å; L87-F149 HydrophobicContact CG-CZ 4.05Å; E91-F149 HydrophobicContact CG-CE1 3.81Å; E91-F149 HydrophobicContact CG-CZ 3.65Å; T111-F149 HydrophobicContact CG2-CD1 4.23Å; T111-F149 HydrophobicContact CG2-CE1 3.28Å; T111-F149 HydrophobicContact CG2-CE2 4.45Å; T111-F149 HydrophobicContact CG2-CZ 3.42Å; T111-F149 VanDerWaalsContact CG2-CZ 3.42Å; I112-F149 HydrophobicContact CG1-CB 4.05Å; I112-F149 HydrophobicContact CG1-CD1 3.9Å; I112-F149 HydrophobicContact CG1-CG 4.35Å; L115-F149 HydrophobicContact CD1-CB 4.43Å; L115-F149 HydrophobicContact CD1-CD1 4.02Å; L115-F149 HydrophobicContact CD1-CD2 3.24Å; L115-F149 HydrophobicContact CD1-CE1 4.07Å; L115-F149 HydrophobicContact CD1-CE2 3.32Å; L115-F149 HydrophobicContact CD1-CG 3.61Å; L115-F149 HydrophobicContact CD1-CZ 3.74Å; L145-F149 HydrophobicContact CD2-CE2 4.18Å; L145-F149 WeakPolarHBondContact O-CD2 3.33Å; L145-F149 PolarHBondContact O-N 3.32Å; F149-A153 WeakPolarHBondContact O-CB 3.41Å; F149-A153 PolarHBondContact O-N 3.28Å; F149-I173 HydrophobicContact CB-CD1 3.59Å; F149-I173 HydrophobicContact CB-CG1 4.46Å
150Y89.4Confident86.7Confident13 Ų1314.5 Ų14.55%0.0518%0.084CC..Hα-helixtrans-66.1-44.2165.5-161-71.6000110.6A146 F147 C152 A153 E154 V169 I173 Q196A146-Y150 WeakPolarHBondContact O-CB 3.47Å; A146-Y150 PolarHBondContact O-N 3.31Å; F147-Y150 PolarHBondContact O-N 2.83Å; Y150-C152 VanDerWaalsContact C-N 3.33Å; Y150-C152 PolarHBondContact O-N 2.86Å; Y150-A153 CarbonylContact O-C 3.58Å; Y150-A153 WeakPolarHBondContact O-CA 3.41Å; Y150-A153 WeakPolarHBondContact O-CB 3.43Å; Y150-A153 PolarHBondContact O-N 3.44Å; Y150-E154 HydrophobicContact CD1-CG 3.74Å; Y150-E154 HydrophobicContact CE1-CG 3.73Å; Y150-E154 WeakPolarHBondContact CE1-OE1 3.37Å; Y150-E154 WeakPolarHBondContact O-CG 3.11Å; Y150-E154 PolarHBondContact O-N 2.92Å; Y150-V169 HydrophobicContact CD1-CG1 4.17Å; Y150-V169 HydrophobicContact CE1-CG1 3.62Å; Y150-I173 HydrophobicContact CD2-CB 4.45Å; Y150-I173 HydrophobicContact CD2-CG1 4.24Å; Y150-Q196 HydrophobicContact CD1-CG 3.27Å; Y150-Q196 VanDerWaalsContact CD1-NE2 3.35Å; Y150-Q196 HydrophobicContact CE1-CG 3.54Å; Y150-Q196 HydrophobicContact CG-CG 3.91Å
151A86.6Confident85.4Confident0 Ų014.6 Ų14.60%09%0.085CC..Hα-helixtrans-61-40.4174.200000112.4L92 F147 T148 A153 E154 W155 I243L92-A151 HydrophobicContact CD2-CB 4.3Å; F147-A151 WeakPolarHBondContact O-CB 3.2Å; F147-A151 PolarHBondContact O-N 3.11Å; T148-A151 WeakPolarHBondContact O-CB 3.48Å; T148-A151 PolarHBondContact O-N 2.83Å; A151-A153 VanDerWaalsContact C-N 3.32Å; A151-A153 PolarHBondContact O-N 2.91Å; A151-E154 PolarHBondContact O-N 3.14Å; A151-W155 WeakPolarHBondContact O-CB 3.34Å; A151-W155 PolarHBondContact O-N 3.49Å; A151-I243 HydrophobicContact CB-CD1 3.29Å
152C87.2Confident84.2Confident0 Ų018.7 Ų18.70%010%0.102CC..Hα-helixtrans-61.1-41.6171.4-61.90000111.4L95 I108 T148 Y150 W155 V156L95-C152 HydrophobicContact CD1-CB 4.41Å; L95-C152 HydrophobicContact CD2-CB 4.38Å; I108-C152 HydrophobicContact CD1-CB 4.21Å; I108-C152 HydrophobicContact CG1-CB 4.28Å; I108-C152 HydrophobicContact CG2-CB 3.61Å; T148-C152 PolarHBondContact O-N 3.43Å; T148-C152 PolarHBondContact O-SG 2.77Å; Y150-C152 VanDerWaalsContact C-N 3.33Å; Y150-C152 PolarHBondContact O-N 2.86Å; C152-W155 WeakPolarHBondContact O-CB 3.21Å; C152-W155 PolarHBondContact O-N 2.96Å; C152-V156 WeakPolarHBondContact O-CG2 3.46Å; C152-V156 PolarHBondContact O-N 3.42Å
153A86Confident83.2Confident0 Ų020.5 Ų20.50%011%0.114CC..Hα-helixtrans-67-41.2178.400000112.5I112 F149 Y150 A151 W155 V156 H157 F167 V169 S172I112-A153 HydrophobicContact CD1-CB 4.1Å; F149-A153 WeakPolarHBondContact O-CB 3.41Å; F149-A153 PolarHBondContact O-N 3.28Å; Y150-A153 CarbonylContact O-C 3.58Å; Y150-A153 WeakPolarHBondContact O-CA 3.41Å; Y150-A153 WeakPolarHBondContact O-CB 3.43Å; Y150-A153 PolarHBondContact O-N 3.44Å; A151-A153 VanDerWaalsContact C-N 3.32Å; A151-A153 PolarHBondContact O-N 2.91Å; A153-W155 VanDerWaalsContact C-N 3.33Å; A153-V156 PolarHBondContact O-N 3.24Å; A153-H157 WeakPolarHBondContact O-CB 3.49Å; A153-H157 PolarHBondContact O-N 3.04Å; A153-F167 HydrophobicContact CB-CE2 4.43Å; A153-F167 HydrophobicContact CB-CZ 3.93Å; A153-V169 HydrophobicContact CB-CG1 4.37Å; A153-S172 WeakPolarHBondContact CB-OG 3.32Å
154E81.5Confident82.1Confident23 Ų2322 Ų2211%0.10713%0.125CC..Hα-helixtrans-58.9-45.6171.3-74.2176.9142.300110.7Y150 A151 H157 N158 V169 Q196Y150-E154 HydrophobicContact CD1-CG 3.74Å; Y150-E154 HydrophobicContact CE1-CG 3.73Å; Y150-E154 WeakPolarHBondContact CE1-OE1 3.37Å; Y150-E154 WeakPolarHBondContact O-CG 3.11Å; Y150-E154 PolarHBondContact O-N 2.92Å; A151-E154 PolarHBondContact O-N 3.14Å; E154-H157 WeakPolarHBondContact O-CB 3.36Å; E154-H157 PolarHBondContact O-N 2.95Å; E154-N158 WeakPolarHBondContact O-CB 3.46Å; E154-N158 PolarHBondContact O-N 2.87Å; E154-N158 PolarHBondContact O-ND2 3.19Å; E154-V169 HydrophobicContact CG-CG1 3.64Å; E154-Q196 PolarHBondContact OE2-NE2 3.23Å; E154-Q196 VanDerWaalsContact OE2-NE2 3.1Å
155W80.6Confident80.9Confident11 Ų1128.3 Ų28.34%0.04217%0.166CC..Hα-helixtrans-58.7-51.9175.1-178.193.9000111L95 E104 I108 A151 C152 A153 H157 N158 Q159 F245L95-W155 HydrophobicContact CB-CD2 4.44Å; L95-W155 HydrophobicContact CD1-CB 4.44Å; L95-W155 HydrophobicContact CD2-CB 4.43Å; L95-W155 HydrophobicContact CD2-CD2 3.78Å; L95-W155 HydrophobicContact CD2-CE3 3.65Å; L95-W155 HydrophobicContact CD2-CG 4.13Å; L95-W155 HydrophobicContact CD2-CZ3 4.15Å; L95-W155 VanDerWaalsContact O-CE2 3.24Å; L95-W155 WeakPolarHBondContact O-CZ2 3.45Å; L95-W155 PolarHBondContact O-NE1 2.99Å; L95-W155 VanDerWaalsContact O-NE1 3.14Å; E104-W155 HydrophobicContact CB-CH2 4.06Å; E104-W155 HydrophobicContact CB-CZ3 3.99Å; E104-W155 HydrophobicContact CG-CH2 4.49Å; I108-W155 HydrophobicContact CD1-CE3 4.14Å; I108-W155 HydrophobicContact CD1-CZ3 4.18Å; A151-W155 WeakPolarHBondContact O-CB 3.34Å; A151-W155 PolarHBondContact O-N 3.49Å; C152-W155 WeakPolarHBondContact O-CB 3.21Å; C152-W155 PolarHBondContact O-N 2.96Å; A153-W155 VanDerWaalsContact C-N 3.33Å; W155-H157 PolarHBondContact O-N 3.48Å; W155-N158 PolarHBondContact O-N 3.42Å; W155-N158 VanDerWaalsContact O-N 3.09Å; W155-Q159 HydrophobicContact CD2-CG 3.67Å; W155-Q159 HydrophobicContact CE3-CG 3.83Å; W155-Q159 HydrophobicContact CG-CG 4.39Å; W155-Q159 HydrophobicContact CH2-CG 3.82Å; W155-Q159 HydrophobicContact CZ2-CG 3.64Å; W155-Q159 HydrophobicContact CZ3-CG 3.9Å; W155-Q159 WeakPolarHBondContact O-CB 3.34Å; W155-Q159 VanDerWaalsContact O-CG 3.27Å; W155-Q159 WeakPolarHBondContact O-CG 3.3Å; W155-Q159 PolarHBondContact O-N 2.88Å; W155-F245 HydrophobicContact CB-CE2 4.44Å; W155-F245 HydrophobicContact CB-CZ 4.48Å
156V78.2Confident79.8Confident1 Ų135.6 Ų35.61%0.00620%0.204CC..Hα-helixtrans-56.1-40.5177.4168.30000111.7I108 C152 A153 Q159 G160 C161 F167I108-V156 HydrophobicContact CB-CG2 4.26Å; I108-V156 HydrophobicContact CD1-CG2 3.6Å; I108-V156 HydrophobicContact CG2-CG2 4.11Å; C152-V156 WeakPolarHBondContact O-CG2 3.46Å; C152-V156 PolarHBondContact O-N 3.42Å; A153-V156 PolarHBondContact O-N 3.24Å; V156-Q159 PolarHBondContact O-N 3Å; V156-G160 PolarHBondContact O-N 3.46Å; V156-C161 WeakPolarHBondContact CG1-O 3.29Å; V156-C161 PolarHBondContact O-N 2.71Å; V156-F167 HydrophobicContact CB-CE1 4.39Å; V156-F167 HydrophobicContact CB-CZ 4.01Å; V156-F167 HydrophobicContact CG1-CE1 3.92Å; V156-F167 HydrophobicContact CG1-CE2 4.37Å; V156-F167 HydrophobicContact CG1-CZ 3.77Å
157H77.5Confident79.1Confident81 Ų8135.9 Ų35.938%0.37521%0.205SC..Hα-helixtrans-64.2-46.6176.4-174.889.7000112.3A153 E154 W155 Q159 G160 F167 V169A153-H157 WeakPolarHBondContact O-CB 3.49Å; A153-H157 PolarHBondContact O-N 3.04Å; E154-H157 WeakPolarHBondContact O-CB 3.36Å; E154-H157 PolarHBondContact O-N 2.95Å; W155-H157 PolarHBondContact O-N 3.48Å; H157-Q159 VanDerWaalsContact C-N 3.25Å; H157-Q159 PolarHBondContact O-N 3.16Å; H157-G160 PolarHBondContact O-N 2.85Å; H157-F167 HydrophobicContact CB-CE1 4.23Å; H157-V169 HydrophobicContact CB-CG2 3.35Å
158N72.4Confident78.5Confident92 Ų9238.1 Ų38.149%0.49222%0.221SC..Hα-helixtrans-67.6-28178.9-68.7-20.7000112.2E154 W155 G160E154-N158 WeakPolarHBondContact O-CB 3.46Å; E154-N158 PolarHBondContact O-N 2.87Å; E154-N158 PolarHBondContact O-ND2 3.19Å; W155-N158 PolarHBondContact O-N 3.42Å; W155-N158 VanDerWaalsContact O-N 3.09Å; N158-G160 PolarHBondContact O-N 3.42Å
159Q67.9Low77.9Confident29 Ų2939 Ų3914%0.13623%0.226CC..THydrogen-bonded Turntrans-72.7-9.1169.5-66.6-42.2-44.100112.6W155 V156 H157 C161 R359W155-Q159 HydrophobicContact CD2-CG 3.67Å; W155-Q159 HydrophobicContact CE3-CG 3.83Å; W155-Q159 HydrophobicContact CG-CG 4.39Å; W155-Q159 HydrophobicContact CH2-CG 3.82Å; W155-Q159 HydrophobicContact CZ2-CG 3.64Å; W155-Q159 HydrophobicContact CZ3-CG 3.9Å; W155-Q159 WeakPolarHBondContact O-CB 3.34Å; W155-Q159 VanDerWaalsContact O-CG 3.27Å; W155-Q159 WeakPolarHBondContact O-CG 3.3Å; W155-Q159 PolarHBondContact O-N 2.88Å; V156-Q159 PolarHBondContact O-N 3Å; H157-Q159 VanDerWaalsContact C-N 3.25Å; H157-Q159 PolarHBondContact O-N 3.16Å; Q159-C161 HydrophobicContact CB-CB 4.44Å; Q159-C161 PolarHBondContact O-N 3.48Å; Q159-C161 PolarHBondContact O-SG 3.49Å; Q159-R359 VanDerWaalsContact CB-NH1 3.3Å; Q159-R359 WeakPolarHBondContact O-CD 3Å; Q159-R359 PolarHBondContact O-NE 2.92Å; Q159-R359 PolarHBondContact O-NH1 3.37Å; Q159-R359 VanDerWaalsContact OE1-CZ 3.26Å
160G67.6Low77.1Confident54 Ų5445.4 Ų45.456%0.55726%0.256SS*.THydrogen-bonded Turntrans64.16-177.500000114.6V156 H157 N158 K162V156-G160 PolarHBondContact O-N 3.46Å; H157-G160 PolarHBondContact O-N 2.85Å; N158-G160 PolarHBondContact O-N 3.42Å; G160-K162 VanDerWaalsContact C-N 3.34Å; G160-K162 PolarHBondContact O-N 2.6Å
161C67.8Low76.6Confident2 Ų250.8 Ų50.81%0.01429%0.286CS..  trans-94.258.4-177.9-70.70000110.4S101 S105 V156 Q159 P163 L362S101-C161 PolarHBondContact OG-SG 2.59Å; S101-C161 VanDerWaalsContact OG-SG 3.33Å; S105-C161 WeakPolarHBondContact CB-O 3.34Å; S105-C161 PolarHBondContact OG-O 3.42Å; S105-C161 VanDerWaalsContact OG-O 3.1Å; V156-C161 WeakPolarHBondContact CG1-O 3.29Å; V156-C161 PolarHBondContact O-N 2.71Å; Q159-C161 HydrophobicContact CB-CB 4.44Å; Q159-C161 PolarHBondContact O-N 3.48Å; Q159-C161 PolarHBondContact O-SG 3.49Å; C161-P163 WeakPolarHBondContact O-CD 3.27Å; C161-L362 VanDerWaalsContact SG-CD1 3.6Å
162K72.4Confident76.5Confident85 Ų8550.9 Ų50.937%0.3729%0.286SS..  trans-62.7125.9-179.9-62.7-173.6-174.3179.60110.2G160 S164 F167 K363G160-K162 VanDerWaalsContact C-N 3.34Å; G160-K162 PolarHBondContact O-N 2.6Å; K162-S164 PolarHBondContact O-N 2.97Å; K162-F167 HydrophobicContact CB-CB 4.29Å; K162-F167 HydrophobicContact CB-CD1 4.33Å; K162-F167 HydrophobicContact CD-CD1 4.35Å; K162-F167 HydrophobicContact CG-CD1 3.97Å; K162-K363 PolarHBondContact O-NZ 3.46Å
163P73.6Confident76.4Confident39 Ų3951.2 Ų51.225%0.25329%0.288SS..SBendtrans-73.2-20.6-17929.7-36.3000112W109 C161 F167W109-P163 HydrophobicContact CB-CB 3.89Å; W109-P163 HydrophobicContact CB-CG 3.58Å; W109-P163 HydrophobicContact CD2-CG 4.01Å; W109-P163 HydrophobicContact CG-CB 3.91Å; W109-P163 HydrophobicContact CG-CG 3.49Å; W109-P163 VanDerWaalsContact CG-CG 3.49Å; C161-P163 WeakPolarHBondContact O-CD 3.27Å; P163-F167 HydrophobicContact CG-CB 4.32Å; P163-F167 HydrophobicContact CG-CD2 3.73Å; P163-F167 HydrophobicContact CG-CE2 4.28Å; P163-F167 HydrophobicContact CG-CG 4.12Å
164S72.9Confident76.3Confident31 Ų3156 Ų5622%0.21732%0.317CS..SBendtrans-148.5150.2178.9177.60000110.4K162 L166 F167K162-S164 PolarHBondContact O-N 2.97Å; S164-L166 PolarHBondContact O-N 3.49Å; S164-L166 PolarHBondContact OG-N 2.89Å; S164-F167 WeakPolarHBondContact O-CB 3.47Å; S164-F167 PolarHBondContact O-N 2.71Å
165P70.6Confident76.3Confident134 Ų13456.3 Ų56.387%0.8732%0.319SS*.THydrogen-bonded Turntrans-56.1-28.2168.7-24.734.5000113.5F167P165-F167 VanDerWaalsContact C-N 3.26Å; P165-F167 PolarHBondContact O-N 3.25Å
166L72.1Confident76.3Confident152 Ų15258 Ų5880%0.79633%0.329SS*.THydrogen-bonded Turntrans-81.1-3178.7-62.2172.3000113.3S164 C168S164-L166 PolarHBondContact O-N 3.49Å; S164-L166 PolarHBondContact OG-N 2.89Å; L166-C168 PolarHBondContact O-N 2.8Å; L166-C168 VanDerWaalsContact O-N 3.11Å
167F78.9Confident76.5Confident6 Ų663.3 Ų63.33%0.02635%0.354CS..  trans-68111.6-178-177.9-96000110.8W109 A153 V156 H157 K162 P163 S164 P165 V169W109-F167 HydrophobicContact CD2-CD2 4.07Å; W109-F167 HydrophobicContact CD2-CE2 4.49Å; W109-F167 AromaticContact CE3-CD2 3.58Å; W109-F167 HydrophobicContact CE3-CD2 3.58Å; W109-F167 AromaticContact CE3-CE2 3.73Å; W109-F167 HydrophobicContact CE3-CE2 3.73Å; W109-F167 HydrophobicContact CH2-CD2 4.28Å; W109-F167 AromaticContact CZ3-CD2 3.71Å; W109-F167 HydrophobicContact CZ3-CD2 3.71Å; W109-F167 HydrophobicContact CZ3-CE2 4.01Å; A153-F167 HydrophobicContact CB-CE2 4.43Å; A153-F167 HydrophobicContact CB-CZ 3.93Å; V156-F167 HydrophobicContact CB-CE1 4.39Å; V156-F167 HydrophobicContact CB-CZ 4.01Å; V156-F167 HydrophobicContact CG1-CE1 3.92Å; V156-F167 HydrophobicContact CG1-CE2 4.37Å; V156-F167 HydrophobicContact CG1-CZ 3.77Å; H157-F167 HydrophobicContact CB-CE1 4.23Å; K162-F167 HydrophobicContact CB-CB 4.29Å; K162-F167 HydrophobicContact CB-CD1 4.33Å; K162-F167 HydrophobicContact CD-CD1 4.35Å; K162-F167 HydrophobicContact CG-CD1 3.97Å; P163-F167 HydrophobicContact CG-CB 4.32Å; P163-F167 HydrophobicContact CG-CD2 3.73Å; P163-F167 HydrophobicContact CG-CE2 4.28Å; P163-F167 HydrophobicContact CG-CG 4.12Å; S164-F167 WeakPolarHBondContact O-CB 3.47Å; S164-F167 PolarHBondContact O-N 2.71Å; P165-F167 VanDerWaalsContact C-N 3.26Å; P165-F167 PolarHBondContact O-N 3.25Å; F167-V169 HydrophobicContact CE1-CG2 4.14Å
168C80.5Confident76.8Confident48 Ų4863.8 Ų63.832%0.32436%0.362SS..  trans-125.3126.4173.1-176.60000108.9L166 Q170 N171 S172L166-C168 PolarHBondContact O-N 2.8Å; L166-C168 VanDerWaalsContact O-N 3.11Å; C168-Q170 VanDerWaalsContact C-N 3.31Å; C168-Q170 PolarHBondContact O-N 3.16Å; C168-N171 HydrophobicContact CB-CB 4.37Å; C168-N171 CarbonylContact O-C 3.59Å; C168-N171 PolarHBondContact O-N 3.26Å; C168-S172 WeakPolarHBondContact O-CB 3.49Å; C168-S172 PolarHBondContact O-N 2.97Å
169V79Confident77.5Confident17 Ų1759.5 Ų59.510%0.10334%0.339CS..SBendtrans-59.8-43.5-179.5179.10000111Y150 A153 E154 H157 F167 N171 S172Y150-V169 HydrophobicContact CD1-CG1 4.17Å; Y150-V169 HydrophobicContact CE1-CG1 3.62Å; A153-V169 HydrophobicContact CB-CG1 4.37Å; E154-V169 HydrophobicContact CG-CG1 3.64Å; H157-V169 HydrophobicContact CB-CG2 3.35Å; F167-V169 HydrophobicContact CE1-CG2 4.14Å; V169-N171 PolarHBondContact O-N 3.39Å; V169-S172 PolarHBondContact O-N 3.09Å; V169-S172 PolarHBondContact O-OG 2.92Å
170Q77.5Confident78.5Confident135 Ų13558.1 Ų58.163%0.63133%0.333SS*.THydrogen-bonded Turntrans-62.6-30-177.6-68177.5-24.100113C168C168-Q170 VanDerWaalsContact C-N 3.31Å; C168-Q170 PolarHBondContact O-N 3.16Å
171N78.4Confident79.6Confident127 Ų12760.9 Ų60.968%0.67934%0.335SS*.THydrogen-bonded Turntrans-109.59.6-177.6-58.6-16000112.1C168 V169C168-N171 HydrophobicContact CB-CB 4.37Å; C168-N171 CarbonylContact O-C 3.59Å; C168-N171 PolarHBondContact O-N 3.26Å; V169-N171 PolarHBondContact O-N 3.39Å
172S83.7Confident80.9Confident1 Ų162.4 Ų62.41%0.00734%0.342CS..THydrogen-bonded Turntrans-75-38.1-175.4670000111I112 N116 A153 C168 V169I112-S172 WeakPolarHBondContact CG2-O 3.33Å; N116-S172 PolarHBondContact ND2-O 3.38Å; A153-S172 WeakPolarHBondContact CB-OG 3.32Å; C168-S172 WeakPolarHBondContact O-CB 3.49Å; C168-S172 PolarHBondContact O-N 2.97Å; V169-S172 PolarHBondContact O-N 3.09Å; V169-S172 PolarHBondContact O-OG 2.92Å
173I86.3Confident81.8Confident8 Ų861.4 Ų61.44%0.04134%0.344CS..SBendtrans-109.3121.6177.2-49.9-56.2000108.6I112 F120 A146 F149 Y150 I175I112-I173 HydrophobicContact CB-CD1 4.39Å; I112-I173 HydrophobicContact CD1-CD1 4.09Å; I112-I173 HydrophobicContact CG1-CD1 3.83Å; I112-I173 HydrophobicContact CG2-CD1 3.83Å; F120-I173 HydrophobicContact CD2-CG2 4.42Å; F120-I173 HydrophobicContact CE2-CG2 3.72Å; F120-I173 HydrophobicContact CZ-CG2 3.82Å; A146-I173 HydrophobicContact CB-CG2 4.34Å; F149-I173 HydrophobicContact CB-CD1 3.59Å; F149-I173 HydrophobicContact CB-CG1 4.46Å; Y150-I173 HydrophobicContact CD2-CB 4.45Å; Y150-I173 HydrophobicContact CD2-CG1 4.24Å; I173-I175 HydrophobicContact CB-CG1 4.24Å; I173-I175 HydrophobicContact CG2-CD1 4.13Å; I173-I175 HydrophobicContact CG2-CG1 3.62Å; I173-I175 PolarHBondContact O-N 3.4Å; I173-I175 VanDerWaalsContact O-N 3.1Å
174V83.3Confident82.8Confident100 Ų10059.6 Ų59.661%0.60633%0.332SS*.  trans-83.687.6178.4-175.10000108.8N116N116-V174 PolarHBondContact OD1-N 3.42Å
175I80.6Confident83.8Confident29 Ų2958.1 Ų58.115%0.14932%0.321CS..  trans-93.9128176.4-53.2176.3000108.9Y142 A146 I173 E177 L180 L193 V197Y142-I175 HydrophobicContact CE1-CG2 4.4Å; A146-I175 HydrophobicContact CB-CD1 3.83Å; A146-I175 HydrophobicContact CB-CG1 4.14Å; I173-I175 HydrophobicContact CB-CG1 4.24Å; I173-I175 HydrophobicContact CG2-CD1 4.13Å; I173-I175 HydrophobicContact CG2-CG1 3.62Å; I173-I175 PolarHBondContact O-N 3.4Å; I173-I175 VanDerWaalsContact O-N 3.1Å; I175-E177 PolarHBondContact O-N 3.46Å; I175-L180 HydrophobicContact CG2-CD1 4.43Å; I175-L180 HydrophobicContact CG2-CD2 4.36Å; I175-L180 HydrophobicContact CG2-CG 4.33Å; I175-L193 HydrophobicContact CD1-CD2 4.45Å; I175-V197 HydrophobicContact CD1-CG2 4.39Å
176D81.7Confident85Confident48 Ų4851.8 Ų51.826%0.25728%0.281SS..  trans-81.6107.6166.9-176.7-17.5000108K128 Y142 T178 I179K128-D176 WeakPolarHBondContact CE-OD2 3.27Å; K128-D176 IonicContact NZ-OD2 3.09Å; K128-D176 PolarHBondContact NZ-OD2 3.46Å; Y142-D176 PolarHBondContact OH-N 2.88Å; D176-T178 PolarHBondContact O-N 2.93Å; D176-T178 VanDerWaalsContact O-N 3.13Å; D176-T178 WeakPolarHBondContact OD1-CB 3.42Å; D176-T178 WeakPolarHBondContact OD1-CG2 3.4Å; D176-T178 PolarHBondContact OD1-N 3.38Å; D176-T178 PolarHBondContact OD1-OG1 2.67Å; D176-T178 PolarHBondContact OD2-OG1 3.44Å; D176-I179 HydrophobicContact CB-CG1 3.88Å; D176-I179 VanDerWaalsContact O-CB 3.26Å; D176-I179 WeakPolarHBondContact O-CB 3.36Å; D176-I179 PolarHBondContact O-N 2.98Å
177E80.8Confident85.9Confident112 Ų11248.1 Ų48.152%0.52326%0.262SS..Hα-helixtrans-59.1-25.8-176.8-66-169.217100112.8I175 I179 L180I175-E177 PolarHBondContact O-N 3.46Å; E177-I179 PolarHBondContact O-N 3.39Å; E177-L180 WeakPolarHBondContact O-CB 3.42Å; E177-L180 PolarHBondContact O-N 3.09Å
178T84.5Confident86.4Confident90 Ų9047.9 Ų47.955%0.55226%0.261SS*.Hα-helixtrans-64.4-25.5176.568.60000112.4D176 L180D176-T178 PolarHBondContact O-N 2.93Å; D176-T178 VanDerWaalsContact O-N 3.13Å; D176-T178 WeakPolarHBondContact OD1-CB 3.42Å; D176-T178 WeakPolarHBondContact OD1-CG2 3.4Å; D176-T178 PolarHBondContact OD1-N 3.38Å; D176-T178 PolarHBondContact OD1-OG1 2.67Å; D176-T178 PolarHBondContact OD2-OG1 3.44Å; T178-L180 VanDerWaalsContact C-N 3.34Å
179I88.3Confident87Confident2 Ų245.6 Ų45.61%0.0125%0.245CC..Hα-helixtrans-68.2-36.2174.3-61.5-65.1000111V127 K128 Y142 D176 E177 D181 H182 V185V127-I179 HydrophobicContact CB-CD1 4.23Å; V127-I179 HydrophobicContact CB-CG2 4.49Å; V127-I179 HydrophobicContact CG1-CD1 4.11Å; V127-I179 HydrophobicContact CG1-CG2 3.89Å; K128-I179 HydrophobicContact CD-CD1 4.22Å; K128-I179 HydrophobicContact CG-CD1 3.49Å; K128-I179 VanDerWaalsContact CG-CD1 3.49Å; Y142-I179 HydrophobicContact CD1-CG2 3.89Å; Y142-I179 HydrophobicContact CE1-CB 4.26Å; Y142-I179 HydrophobicContact CE1-CG2 3.7Å; D176-I179 HydrophobicContact CB-CG1 3.88Å; D176-I179 VanDerWaalsContact O-CB 3.26Å; D176-I179 WeakPolarHBondContact O-CB 3.36Å; D176-I179 PolarHBondContact O-N 2.98Å; E177-I179 PolarHBondContact O-N 3.39Å; I179-D181 PolarHBondContact O-N 3.41Å; I179-H182 WeakPolarHBondContact O-CB 3.39Å; I179-H182 PolarHBondContact O-N 3.21Å; I179-V185 HydrophobicContact CG2-CG2 4.45Å; I179-V185 WeakPolarHBondContact O-CG2 3.45Å
180L88.7Confident87.7Confident1 Ų146.8 Ų46.81%0.00525%0.248CC..Hα-helixtrans-63.1-31.9-178.1-61.2-178.5000111.4I175 E177 T178 H182 R190 L193 Y194I175-L180 HydrophobicContact CG2-CD1 4.43Å; I175-L180 HydrophobicContact CG2-CD2 4.36Å; I175-L180 HydrophobicContact CG2-CG 4.33Å; E177-L180 WeakPolarHBondContact O-CB 3.42Å; E177-L180 PolarHBondContact O-N 3.09Å; T178-L180 VanDerWaalsContact C-N 3.34Å; L180-H182 VanDerWaalsContact C-N 3.31Å; L180-R190 VanDerWaalsContact O-CD 3.32Å; L180-R190 WeakPolarHBondContact O-CD 3.18Å; L180-R190 WeakPolarHBondContact O-CG 3.34Å; L180-R190 PolarHBondContact O-NE 2.98Å; L180-L193 HydrophobicContact CD1-CB 4.36Å; L180-L193 HydrophobicContact CD2-CB 4.03Å; L180-L193 HydrophobicContact CD2-CD1 3.63Å; L180-L193 HydrophobicContact CD2-CG 4.48Å; L180-Y194 HydrophobicContact CB-CE1 4.32Å; L180-Y194 HydrophobicContact CB-CE2 4.06Å; L180-Y194 WeakPolarHBondContact CB-OH 3.42Å; L180-Y194 HydrophobicContact CD1-CD1 4.17Å; L180-Y194 HydrophobicContact CD1-CE1 3.93Å
181D90.5Very high88.2Confident111 Ų11144 Ų4459%0.59424%0.235SC*.THydrogen-bonded Turntrans-80.6-7175.4-71.7-49.7000113.8I179 Y194I179-D181 PolarHBondContact O-N 3.41Å; D181-Y194 PolarHBondContact OD1-OH 3.42Å; D181-Y194 PolarHBondContact OD2-OH 2.88Å
182H94Very high88.7Confident35 Ų3537.9 Ų37.916%0.16220%0.202CC..SBendtrans-64.8136.7179.1-161.4-87.4000110.8V127 I179 L180 T184 V185 R190V127-H182 HydrophobicContact CG1-CB 4.46Å; I179-H182 WeakPolarHBondContact O-CB 3.39Å; I179-H182 PolarHBondContact O-N 3.21Å; L180-H182 VanDerWaalsContact C-N 3.31Å; H182-T184 PolarHBondContact CE1-OG1 3.37Å; H182-T184 WeakPolarHBondContact ND1-CG2 3.18Å; H182-T184 PolarHBondContact ND1-N 3.31Å; H182-T184 PolarHBondContact ND1-OG1 3.08Å; H182-T184 PolarHBondContact O-N 2.87Å; H182-T184 VanDerWaalsContact O-N 3.14Å; H182-V185 HydrophobicContact CB-CG2 4.41Å; H182-V185 WeakPolarHBondContact O-CB 3.32Å; H182-V185 PolarHBondContact O-N 3.11Å; H182-V185 VanDerWaalsContact O-N 3.08Å; H182-R190 PolarHBondContact O-NH2 3.04Å
183P92.2Very high88.9Confident64 Ų6437.9 Ų37.942%0.41620%0.202SC..THydrogen-bonded Turntrans-64.7-21.3-173.825.2-36.8000113.9N133 V185N133-P183 HydrophobicContact CB-CB 4.29Å; P183-V185 VanDerWaalsContact C-N 3.28Å; P183-V185 PolarHBondContact O-N 2.99Å
184T94.6Very high89Confident0 Ų039.5 Ų39.50%021%0.208CC..THydrogen-bonded Turntrans-76.4-11.1177.260.60000114Q130 T132 L134 P135 S136 S139 H182 P186Q130-T184 HydrophobicContact CB-CG2 4.03Å; Q130-T184 PolarHBondContact OE1-OG1 3.35Å; T132-T184 HydrophobicContact CG2-CG2 3.62Å; T132-T184 WeakPolarHBondContact O-CG2 3.49Å; L134-T184 WeakPolarHBondContact O-CA 3.05Å; L134-T184 WeakPolarHBondContact O-CG2 3.27Å; P135-T184 CarbonylContact C-O 3.54Å; P135-T184 WeakPolarHBondContact CA-O 3.4Å; S136-T184 PolarHBondContact N-O 2.9Å; S139-T184 VanDerWaalsContact CB-O 3.24Å; S139-T184 WeakPolarHBondContact CB-O 3.03Å; S139-T184 WeakPolarHBondContact OG-CB 3.4Å; S139-T184 PolarHBondContact OG-OG1 3.37Å; H182-T184 PolarHBondContact CE1-OG1 3.37Å; H182-T184 WeakPolarHBondContact ND1-CG2 3.18Å; H182-T184 PolarHBondContact ND1-N 3.31Å; H182-T184 PolarHBondContact ND1-OG1 3.08Å; H182-T184 PolarHBondContact O-N 2.87Å; H182-T184 VanDerWaalsContact O-N 3.14Å; T184-P186 WeakPolarHBondContact O-CD 3.33Å
185V94.5Very high89.1Confident0 Ų035.9 Ų35.90%019%0.185CC..SBendtrans-74126.4176.4174.70000109.4I179 H182 P183 N187 R190I179-V185 HydrophobicContact CG2-CG2 4.45Å; I179-V185 WeakPolarHBondContact O-CG2 3.45Å; H182-V185 HydrophobicContact CB-CG2 4.41Å; H182-V185 WeakPolarHBondContact O-CB 3.32Å; H182-V185 PolarHBondContact O-N 3.11Å; H182-V185 VanDerWaalsContact O-N 3.08Å; P183-V185 VanDerWaalsContact C-N 3.28Å; P183-V185 PolarHBondContact O-N 2.99Å; V185-N187 PolarHBondContact O-N 2.84Å; V185-R190 HydrophobicContact CG1-CB 3.96Å; V185-R190 PolarHBondContact O-NH2 2.61Å
186P94Very high89.3Confident2 Ų234.6 Ų34.61%0.01318%0.179CC..  trans-56129.5173.8-26.435.9000111.5I30 P135 W140 T184 I188 L189 R190I30-P186 HydrophobicContact CD1-CG 3.94Å; P135-P186 HydrophobicContact CB-CG 4.29Å; W140-P186 HydrophobicContact CB-CG 4.1Å; T184-P186 WeakPolarHBondContact O-CD 3.33Å; P186-I188 PolarHBondContact O-N 2.91Å; P186-I188 VanDerWaalsContact O-N 3.09Å; P186-L189 HydrophobicContact CB-CB 4.47Å; P186-L189 HydrophobicContact CB-CD1 4.34Å; P186-L189 HydrophobicContact CG-CD1 4.18Å; P186-L189 PolarHBondContact O-N 3.19Å; P186-R190 PolarHBondContact O-N 3.05Å
187N91.2Very high89.2Confident75 Ų7534.4 Ų34.440%0.40118%0.179SC..Hα-helixtrans-53.4-37.5-174.2-72.3-13.3000113.3V185 R190 H191 L227V185-N187 PolarHBondContact O-N 2.84Å; N187-R190 PolarHBondContact O-N 3.39Å; N187-R190 PolarHBondContact OD1-NH1 3.43Å; N187-H191 PolarHBondContact O-N 3.37Å; N187-H191 VanDerWaalsContact O-N 3.13Å; N187-H191 PolarHBondContact O-ND1 2.88Å; N187-L227 HydrophobicContact CB-CD2 4.31Å
188I90.6Very high89.1Confident0 Ų034.4 Ų34.40%018%0.177CC..Hα-helixtrans-59.5-51.5176-73.7-166.1000111.5P186 R190 H191 I192 F203 L214 N223 L227P186-I188 PolarHBondContact O-N 2.91Å; P186-I188 VanDerWaalsContact O-N 3.09Å; I188-R190 VanDerWaalsContact C-N 3.33Å; I188-R190 PolarHBondContact O-N 3.47Å; I188-H191 PolarHBondContact O-N 3.42Å; I188-I192 HydrophobicContact CG2-CD1 3.67Å; I188-I192 VanDerWaalsContact O-CG1 3.3Å; I188-I192 WeakPolarHBondContact O-CG1 3.48Å; I188-I192 PolarHBondContact O-N 2.92Å; I188-F203 HydrophobicContact CG2-CZ 4.19Å; I188-L214 HydrophobicContact CD1-CB 4.26Å; I188-N223 HydrophobicContact CD1-CB 3.29Å; I188-N223 HydrophobicContact CG1-CB 4.36Å; I188-L227 HydrophobicContact CG1-CB 4.31Å; I188-L227 HydrophobicContact CG1-CD1 4.27Å; I188-L227 HydrophobicContact CG1-CD2 4.18Å; I188-L227 HydrophobicContact CG1-CG 4.49Å
189L93.1Very high88.7Confident0 Ų033.7 Ų33.70%017%0.17CC..Hα-helixtrans-64.8-39.1-179.2-78172.3000111.6W140 C143 M144 P186 H191 I192 L193 I215W140-L189 HydrophobicContact CB-CD1 4.41Å; W140-L189 HydrophobicContact CG-CD1 3.97Å; C143-L189 HydrophobicContact CB-CB 3.95Å; C143-L189 HydrophobicContact CB-CD1 3.75Å; C143-L189 HydrophobicContact CB-CD2 4.4Å; C143-L189 HydrophobicContact CB-CG 4.26Å; M144-L189 HydrophobicContact CG-CD1 4.17Å; M144-L189 HydrophobicContact SD-CD1 4.32Å; M144-L189 HydrophobicContact SD-CD2 3.89Å; P186-L189 HydrophobicContact CB-CB 4.47Å; P186-L189 HydrophobicContact CB-CD1 4.34Å; P186-L189 HydrophobicContact CG-CD1 4.18Å; P186-L189 PolarHBondContact O-N 3.19Å; L189-H191 PolarHBondContact O-N 3.09Å; L189-I192 PolarHBondContact O-N 3.4Å; L189-L193 WeakPolarHBondContact O-CB 3.37Å; L189-L193 WeakPolarHBondContact O-CG 3.13Å; L189-L193 PolarHBondContact O-N 3.25Å; L189-I215 HydrophobicContact CD2-CG2 3.79Å
190R92.3Very high88Confident42 Ų4240.3 Ų40.316%0.15820%0.195CC..Hα-helixtrans-54.4-52.5173-174.1-176.7-59.2114.66.3111.4L180 H182 V185 P186 N187 I188 I192 Y194L180-R190 VanDerWaalsContact O-CD 3.32Å; L180-R190 WeakPolarHBondContact O-CD 3.18Å; L180-R190 WeakPolarHBondContact O-CG 3.34Å; L180-R190 PolarHBondContact O-NE 2.98Å; H182-R190 PolarHBondContact O-NH2 3.04Å; V185-R190 HydrophobicContact CG1-CB 3.96Å; V185-R190 PolarHBondContact O-NH2 2.61Å; P186-R190 PolarHBondContact O-N 3.05Å; N187-R190 PolarHBondContact O-N 3.39Å; N187-R190 PolarHBondContact OD1-NH1 3.43Å; I188-R190 VanDerWaalsContact C-N 3.33Å; I188-R190 PolarHBondContact O-N 3.47Å; R190-I192 PolarHBondContact O-N 3.41Å; R190-Y194 HydrophobicContact CG-CD2 3.71Å; R190-Y194 HydrophobicContact CG-CE2 3.48Å; R190-Y194 VanDerWaalsContact CG-CE2 3.48Å; R190-Y194 WeakPolarHBondContact O-CD2 3.49Å; R190-Y194 PolarHBondContact O-N 3.36Å
191H88.3Confident87.2Confident76 Ų7641.7 Ų41.735%0.35220%0.204SC..Hα-helixtrans-62.7-42.8-179.2-77.378.7000112.3N187 I188 L189 N195 F203N187-H191 PolarHBondContact O-N 3.37Å; N187-H191 VanDerWaalsContact O-N 3.13Å; N187-H191 PolarHBondContact O-ND1 2.88Å; I188-H191 PolarHBondContact O-N 3.42Å; L189-H191 PolarHBondContact O-N 3.09Å; H191-N195 WeakPolarHBondContact O-CB 3.39Å; H191-N195 VanDerWaalsContact O-CG 3.28Å; H191-N195 PolarHBondContact O-N 2.84Å; H191-N195 PolarHBondContact O-ND2 3.06Å; H191-F203 HydrophobicContact CB-CE1 4.2Å
192I88.7Confident86.8Confident0 Ų037.8 Ų37.80%018%0.181CC..Hα-helixtrans-65.9-48.1-178.3-69.5170.4000110.7F147 I188 L189 R190 N195 Q196 Y202 F203 L211 I215F147-I192 HydrophobicContact CD2-CG2 3.47Å; F147-I192 VanDerWaalsContact CD2-CG2 3.47Å; F147-I192 HydrophobicContact CE2-CG2 3.55Å; F147-I192 HydrophobicContact CG-CG2 4.44Å; I188-I192 HydrophobicContact CG2-CD1 3.67Å; I188-I192 VanDerWaalsContact O-CG1 3.3Å; I188-I192 WeakPolarHBondContact O-CG1 3.48Å; I188-I192 PolarHBondContact O-N 2.92Å; L189-I192 PolarHBondContact O-N 3.4Å; R190-I192 PolarHBondContact O-N 3.41Å; I192-N195 PolarHBondContact O-N 3.34Å; I192-Q196 WeakPolarHBondContact O-CB 3.49Å; I192-Q196 PolarHBondContact O-N 2.84Å; I192-Y202 HydrophobicContact CG2-CD1 4.01Å; I192-Y202 HydrophobicContact CG2-CE1 3.75Å; I192-F203 HydrophobicContact CD1-CE1 4.06Å; I192-F203 HydrophobicContact CD1-CZ 3.69Å; I192-F203 HydrophobicContact CG1-CE1 3.56Å; I192-F203 HydrophobicContact CG1-CZ 3.75Å; I192-L211 HydrophobicContact CD1-CD1 3.72Å; I192-L211 HydrophobicContact CG1-CD1 4.31Å; I192-I215 HydrophobicContact CD1-CD1 3.73Å; I192-I215 HydrophobicContact CD1-CG1 3.3Å; I192-I215 HydrophobicContact CG2-CD1 4.45Å
193L89.3Confident86.2Confident0 Ų036.3 Ų36.30%017%0.174CC..Hα-helixtrans-64.6-41.2179.3-75.7170.4000112C143 A146 F147 I175 L180 L189 N195 Q196 V197C143-L193 HydrophobicContact CB-CD1 3.62Å; A146-L193 HydrophobicContact CB-CD2 4.15Å; F147-L193 HydrophobicContact CB-CD2 3.83Å; F147-L193 HydrophobicContact CB-CG 4.47Å; I175-L193 HydrophobicContact CD1-CD2 4.45Å; L180-L193 HydrophobicContact CD1-CB 4.36Å; L180-L193 HydrophobicContact CD2-CB 4.03Å; L180-L193 HydrophobicContact CD2-CD1 3.63Å; L180-L193 HydrophobicContact CD2-CG 4.48Å; L189-L193 WeakPolarHBondContact O-CB 3.37Å; L189-L193 WeakPolarHBondContact O-CG 3.13Å; L189-L193 PolarHBondContact O-N 3.25Å; L193-N195 VanDerWaalsContact C-N 3.3Å; L193-N195 PolarHBondContact O-N 2.72Å; L193-Q196 PolarHBondContact O-N 2.88Å; L193-V197 WeakPolarHBondContact O-CB 3.29Å; L193-V197 VanDerWaalsContact O-CG2 3.32Å; L193-V197 WeakPolarHBondContact O-CG2 3.29Å; L193-V197 PolarHBondContact O-N 3.26Å
194Y88.5Confident85.6Confident42 Ų4236.4 Ų36.417%0.16517%0.174CC..Hα-helixtrans-60.7-41.1173-84.8-53.8000112.5L180 D181 R190 K198L180-Y194 HydrophobicContact CB-CE1 4.32Å; L180-Y194 HydrophobicContact CB-CE2 4.06Å; L180-Y194 WeakPolarHBondContact CB-OH 3.42Å; L180-Y194 HydrophobicContact CD1-CD1 4.17Å; L180-Y194 HydrophobicContact CD1-CE1 3.93Å; D181-Y194 PolarHBondContact OD1-OH 3.42Å; D181-Y194 PolarHBondContact OD2-OH 2.88Å; R190-Y194 HydrophobicContact CG-CD2 3.71Å; R190-Y194 HydrophobicContact CG-CE2 3.48Å; R190-Y194 VanDerWaalsContact CG-CE2 3.48Å; R190-Y194 WeakPolarHBondContact O-CD2 3.49Å; R190-Y194 PolarHBondContact O-N 3.36Å; Y194-K198 WeakPolarHBondContact O-CB 3.28Å; Y194-K198 VanDerWaalsContact O-CG 3.28Å; Y194-K198 WeakPolarHBondContact O-CG 3.04Å; Y194-K198 PolarHBondContact O-N 3Å
195N84.4Confident85Confident25 Ų2537.3 Ų37.313%0.13418%0.179CC..Hα-helixtrans-66.4-41.8177.5-75.5-16.1000111.3H191 I192 L193 K198 N199 R200 P201 Y202H191-N195 WeakPolarHBondContact O-CB 3.39Å; H191-N195 VanDerWaalsContact O-CG 3.28Å; H191-N195 PolarHBondContact O-N 2.84Å; H191-N195 PolarHBondContact O-ND2 3.06Å; I192-N195 PolarHBondContact O-N 3.34Å; L193-N195 VanDerWaalsContact C-N 3.3Å; L193-N195 PolarHBondContact O-N 2.72Å; N195-K198 CarbonylContact O-C 3.59Å; N195-K198 PolarHBondContact O-N 2.68Å; N195-N199 WeakPolarHBondContact O-CA 3.39Å; N195-N199 PolarHBondContact O-N 3.48Å; N195-R200 HydrophobicContact CB-CB 4.09Å; N195-R200 PolarHBondContact O-N 3.18Å; N195-P201 PolarHBondContact ND2-O 3.39Å; N195-Y202 HydrophobicContact CB-CD1 4.29Å; N195-Y202 HydrophobicContact CB-CE1 4.47Å
196Q84.2Confident84.1Confident2 Ų239.2 Ų39.21%0.00919%0.192CC..Hα-helixtrans-62.2-52177.6-170.3167.336.300111.5F147 Y150 E154 I192 L193 K198 N199 Y202F147-Q196 PolarHBondContact O-NE2 2.84Å; Y150-Q196 HydrophobicContact CD1-CG 3.27Å; Y150-Q196 VanDerWaalsContact CD1-NE2 3.35Å; Y150-Q196 HydrophobicContact CE1-CG 3.54Å; Y150-Q196 HydrophobicContact CG-CG 3.91Å; E154-Q196 PolarHBondContact OE2-NE2 3.23Å; E154-Q196 VanDerWaalsContact OE2-NE2 3.1Å; I192-Q196 WeakPolarHBondContact O-CB 3.49Å; I192-Q196 PolarHBondContact O-N 2.84Å; L193-Q196 PolarHBondContact O-N 2.88Å; Q196-K198 VanDerWaalsContact C-N 3.31Å; Q196-K198 PolarHBondContact O-N 3.4Å; Q196-N199 PolarHBondContact O-N 2.91Å; Q196-N199 VanDerWaalsContact O-N 3.09Å; Q196-Y202 HydrophobicContact CB-CE1 4.07Å; Q196-Y202 WeakPolarHBondContact CB-OH 3.36Å; Q196-Y202 VanDerWaalsContact CG-OH 3.25Å; Q196-Y202 WeakPolarHBondContact CG-OH 2.88Å; Q196-Y202 PolarHBondContact NE2-OH 2.87Å
197V80.6Confident82.9Confident43 Ų4346.7 Ų46.726%0.26124%0.237SC..Hα-helixtrans-61.2-38.6178.3173.30000111.9I175 L193 N199I175-V197 HydrophobicContact CD1-CG2 4.39Å; L193-V197 WeakPolarHBondContact O-CB 3.29Å; L193-V197 VanDerWaalsContact O-CG2 3.32Å; L193-V197 WeakPolarHBondContact O-CG2 3.29Å; L193-V197 PolarHBondContact O-N 3.26Å; V197-N199 VanDerWaalsContact C-N 3.29Å; V197-N199 PolarHBondContact O-N 3.14Å
198K79.6Confident82.1Confident113 Ų11347.3 Ų47.349%0.49125%0.248SC..THydrogen-bonded Turntrans-86.44.7179.3-65178.1178.5172.40113.8Y194 N195 Q196 R200Y194-K198 WeakPolarHBondContact O-CB 3.28Å; Y194-K198 VanDerWaalsContact O-CG 3.28Å; Y194-K198 WeakPolarHBondContact O-CG 3.04Å; Y194-K198 PolarHBondContact O-N 3Å; N195-K198 CarbonylContact O-C 3.59Å; N195-K198 PolarHBondContact O-N 2.68Å; Q196-K198 VanDerWaalsContact C-N 3.31Å; Q196-K198 PolarHBondContact O-N 3.4Å; K198-R200 VanDerWaalsContact C-N 3.33Å; K198-R200 HydrophobicContact CB-CG 4.04Å; K198-R200 PolarHBondContact O-N 3.23Å
199N74.1Confident81.4Confident75 Ų7550.4 Ų50.440%0.40126%0.259SS..THydrogen-bonded Turntrans50.948.8-176.8-159.423.7000113.4N195 Q196 V197 Y236N195-N199 WeakPolarHBondContact O-CA 3.39Å; N195-N199 PolarHBondContact O-N 3.48Å; Q196-N199 PolarHBondContact O-N 2.91Å; Q196-N199 VanDerWaalsContact O-N 3.09Å; V197-N199 VanDerWaalsContact C-N 3.29Å; V197-N199 PolarHBondContact O-N 3.14Å; N199-Y236 PolarHBondContact OD1-OH 3.36Å
200R74.9Confident80.9Confident141 Ų14153 Ų5353%0.53228%0.275SS..  trans-108.6154.9179.2-68.3-176.9179.9-169.8-2.5110.3N195 K198N195-R200 HydrophobicContact CB-CB 4.09Å; N195-R200 PolarHBondContact O-N 3.18Å; K198-R200 VanDerWaalsContact C-N 3.33Å; K198-R200 HydrophobicContact CB-CG 4.04Å; K198-R200 PolarHBondContact O-N 3.23Å
201P72.4Confident80.5Confident29 Ų2952.2 Ų52.219%0.18827%0.274CS..PPolyproline II helixtrans-66.6142.6-179.628-32.9000110.8N195 K233 Y236N195-P201 PolarHBondContact ND2-O 3.39Å; P201-K233 HydrophobicContact CB-CB 4.25Å; P201-K233 HydrophobicContact CG-CB 4.21Å; P201-K233 VanDerWaalsContact CG-O 3.32Å; P201-K233 WeakPolarHBondContact CG-O 3.2Å; P201-Y236 HydrophobicContact CB-CD2 4.16Å; P201-Y236 HydrophobicContact CG-CD2 4.49Å
202Y81.4Confident80.5Confident30 Ų3050.2 Ų50.212%0.11827%0.266CS..PPolyproline II helixtrans-68153.9169.5-57.1-60.6000110.8I192 N195 Q196 L211I192-Y202 HydrophobicContact CG2-CD1 4.01Å; I192-Y202 HydrophobicContact CG2-CE1 3.75Å; N195-Y202 HydrophobicContact CB-CD1 4.29Å; N195-Y202 HydrophobicContact CB-CE1 4.47Å; Q196-Y202 HydrophobicContact CB-CE1 4.07Å; Q196-Y202 WeakPolarHBondContact CB-OH 3.36Å; Q196-Y202 VanDerWaalsContact CG-OH 3.25Å; Q196-Y202 WeakPolarHBondContact CG-OH 2.88Å; Q196-Y202 PolarHBondContact NE2-OH 2.87Å; Y202-L211 HydrophobicContact CD1-CD2 4.36Å; Y202-L211 HydrophobicContact CD2-CD2 3.82Å; Y202-L211 HydrophobicContact CG-CD2 3.74Å
203F81.3Confident80.5Confident4 Ų450.7 Ų50.72%0.01827%0.269CS..PPolyproline II helixtrans-69.7151.316955.7-101.7000110.1I188 H191 I192 L211 L214 L227 C230 K231 Y232I188-F203 HydrophobicContact CG2-CZ 4.19Å; H191-F203 HydrophobicContact CB-CE1 4.2Å; I192-F203 HydrophobicContact CD1-CE1 4.06Å; I192-F203 HydrophobicContact CD1-CZ 3.69Å; I192-F203 HydrophobicContact CG1-CE1 3.56Å; I192-F203 HydrophobicContact CG1-CZ 3.75Å; F203-L211 HydrophobicContact CD2-CD1 4.39Å; F203-L211 HydrophobicContact CE2-CD1 3.85Å; F203-L211 HydrophobicContact CZ-CD1 4.13Å; F203-L214 HydrophobicContact CE2-CD1 3.82Å; F203-L227 HydrophobicContact CD1-CD1 4.33Å; F203-L227 HydrophobicContact CE1-CD1 3.97Å; F203-L227 HydrophobicContact CE2-CD1 4.37Å; F203-L227 HydrophobicContact CZ-CD1 3.99Å; F203-C230 HydrophobicContact CB-CB 4.09Å; F203-C230 HydrophobicContact CD2-CB 3.74Å; F203-C230 HydrophobicContact CG-CB 4.14Å; F203-K231 CarbonylContact C-O 3.6Å; F203-K231 WeakPolarHBondContact CA-O 3.12Å; F203-Y232 HydrophobicContact CB-CD1 4.07Å; F203-Y232 HydrophobicContact CB-CE1 3.97Å; F203-Y232 HydrophobicContact CD1-CE1 4.42Å
204T80.4Confident80.5Confident66 Ų6650.7 Ų50.741%0.40527%0.269SS..BIsolated β-bridgetrans-96.3118.3177-50.40000109.3C230 K231T204-C230 CarbonylContact O-C 3.54Å; T204-C230 WeakPolarHBondContact O-CA 3.31Å; T204-K231 PolarHBondContact N-O 3.1Å; T204-K231 PolarHBondContact O-N 3.43Å
205P80.7Confident80.6Confident19 Ų1948.7 Ų48.712%0.12326%0.261CS..PPolyproline II helixtrans-60.8163.4173.5-19.931.8000112.5R209 L211 L214P205-R209 HydrophobicContact CB-CB 4.13Å; P205-L211 HydrophobicContact CG-CB 4.44Å; P205-L214 HydrophobicContact CB-CD1 3.72Å; P205-L214 HydrophobicContact CB-CG 4.3Å; P205-L214 HydrophobicContact CG-CD1 3.7Å; P205-L214 HydrophobicContact CG-CG 4.29Å
206P76.8Confident81.1Confident40 Ų4047.8 Ų47.826%0.2626%0.256SS..PPolyproline II helixtrans-59.2151.1168.525.5-33.9000111.3S208 R209 I226P206-S208 PolarHBondContact O-N 3.44Å; P206-R209 PolarHBondContact O-N 3.21Å; P206-I226 HydrophobicContact CG-CG2 4.02Å
207T67.2Low81.6Confident158 Ų15847.7 Ų47.797%0.96926%0.255SS*.THydrogen-bonded Turntrans-54.7-16.2-167.146.60000116.4
208S74.2Confident82.3Confident89 Ų8945.6 Ų45.662%0.62224%0.243SC*.THydrogen-bonded Turntrans-87.8-2.6177.3580000114.6P206P206-S208 PolarHBondContact O-N 3.44Å
209R77.1Confident83.1Confident64 Ų6440.2 Ų40.224%0.24222%0.219CC..  trans-135.8150-173-58.9-64.5-176.7-173.8-0.2111.9I40 P205 P206 D213I40-R209 VanDerWaalsContact CD1-NH1 3.27Å; P205-R209 HydrophobicContact CB-CB 4.13Å; P206-R209 PolarHBondContact O-N 3.21Å; R209-D213 WeakPolarHBondContact CA-OD2 3.44Å; R209-D213 HydrophobicContact CB-CB 4.43Å
210T82.9Confident84.1Confident55 Ų5536.9 Ų36.934%0.33720%0.201SC..  trans-97.6166170.569.80000111.4L212 D213 L214T210-L212 VanDerWaalsContact C-N 3.25Å; T210-L212 PolarHBondContact O-N 2.69Å; T210-D213 PolarHBondContact N-OD2 3.46Å; T210-D213 WeakPolarHBondContact O-CB 3.01Å; T210-D213 PolarHBondContact O-N 3.04Å; T210-D213 PolarHBondContact OG1-N 3.39Å; T210-D213 PolarHBondContact OG1-OD1 2.8Å; T210-D213 PolarHBondContact OG1-OD2 3.09Å; T210-L214 PolarHBondContact O-N 3.4Å
211L84.1Confident85Confident25 Ų2530.5 Ų30.513%0.13118%0.178CC..Hα-helixtrans-60.2-40.7174.8-179.564.1000110.5I192 Y202 F203 P205 D213 L214 I215I192-L211 HydrophobicContact CD1-CD1 3.72Å; I192-L211 HydrophobicContact CG1-CD1 4.31Å; Y202-L211 HydrophobicContact CD1-CD2 4.36Å; Y202-L211 HydrophobicContact CD2-CD2 3.82Å; Y202-L211 HydrophobicContact CG-CD2 3.74Å; F203-L211 HydrophobicContact CD2-CD1 4.39Å; F203-L211 HydrophobicContact CE2-CD1 3.85Å; F203-L211 HydrophobicContact CZ-CD1 4.13Å; P205-L211 HydrophobicContact CG-CB 4.44Å; L211-D213 PolarHBondContact O-N 3.05Å; L211-L214 PolarHBondContact O-N 3.1Å; L211-I215 HydrophobicContact CD1-CD1 4.25Å; L211-I215 HydrophobicContact CD2-CD1 4.38Å; L211-I215 HydrophobicContact CG-CD1 3.76Å; L211-I215 HydrophobicContact CG-CG1 4.47Å; L211-I215 WeakPolarHBondContact O-CD1 3.46Å; L211-I215 VanDerWaalsContact O-CG1 3.26Å; L211-I215 WeakPolarHBondContact O-CG1 3.48Å; L211-I215 PolarHBondContact O-N 3.01Å
212L87.6Confident85.7Confident35 Ų3529.8 Ų29.818%0.18317%0.174CC..Hα-helixtrans-63-40.3175.9-65.5179.8000112L92 F147 T210 L214 I215 F216L92-L212 HydrophobicContact CD1-CD2 3.89Å; F147-L212 HydrophobicContact CE1-CD2 4.21Å; T210-L212 VanDerWaalsContact C-N 3.25Å; T210-L212 PolarHBondContact O-N 2.69Å; L212-L214 PolarHBondContact O-N 3.44Å; L212-I215 HydrophobicContact CD2-CD1 4.42Å; L212-I215 PolarHBondContact O-N 3.05Å; L212-F216 HydrophobicContact CB-CD2 4.28Å; L212-F216 HydrophobicContact CB-CE2 4.41Å; L212-F216 HydrophobicContact CD2-CE2 4.43Å; L212-F216 VanDerWaalsContact O-CD2 3.26Å; L212-F216 WeakPolarHBondContact O-CD2 3.26Å; L212-F216 PolarHBondContact O-N 3.23Å
213D88.2Confident85.9Confident10 Ų1028.6 Ų28.65%0.05317%0.17CC..Hα-helixtrans-56.4-42.1175.8-68.4-31.2000111.2I40 R44 R209 T210 L211 S217I40-D213 HydrophobicContact CD1-CB 3.96Å; I40-D213 HydrophobicContact CG1-CB 4.38Å; I40-D213 HydrophobicContact CG2-CB 4.37Å; I40-D213 VanDerWaalsContact CG2-OD1 3.31Å; I40-D213 WeakPolarHBondContact CG2-OD1 3.35Å; R44-D213 IonicContact CZ-OD1 3.77Å; R44-D213 IonicContact CZ-OD2 3Å; R44-D213 IonicContact NE-OD1 2.62Å; R44-D213 PolarHBondContact NE-OD1 3.29Å; R44-D213 VanDerWaalsContact NH2-CG 3.34Å; R44-D213 IonicContact NH2-OD1 2.73Å; R44-D213 PolarHBondContact NH2-OD1 2.69Å; R44-D213 IonicContact NH2-OD2 2.68Å; R44-D213 PolarHBondContact NH2-OD2 3.09Å; R209-D213 WeakPolarHBondContact CA-OD2 3.44Å; R209-D213 HydrophobicContact CB-CB 4.43Å; T210-D213 PolarHBondContact N-OD2 3.46Å; T210-D213 WeakPolarHBondContact O-CB 3.01Å; T210-D213 PolarHBondContact O-N 3.04Å; T210-D213 PolarHBondContact OG1-N 3.39Å; T210-D213 PolarHBondContact OG1-OD1 2.8Å; T210-D213 PolarHBondContact OG1-OD2 3.09Å; L211-D213 PolarHBondContact O-N 3.05Å; D213-S217 WeakPolarHBondContact O-CB 3.47Å; D213-S217 PolarHBondContact O-N 3.35Å; D213-S217 PolarHBondContact O-OG 3.42Å
214L89.1Confident86Confident0 Ų030.7 Ų30.70%019%0.188CC..Hα-helixtrans-70.7-40.1179.3-67.5-173.1000113I188 F203 P205 T210 L211 L212 S217 S218 N223 I226I188-L214 HydrophobicContact CD1-CB 4.26Å; F203-L214 HydrophobicContact CE2-CD1 3.82Å; P205-L214 HydrophobicContact CB-CD1 3.72Å; P205-L214 HydrophobicContact CB-CG 4.3Å; P205-L214 HydrophobicContact CG-CD1 3.7Å; P205-L214 HydrophobicContact CG-CG 4.29Å; T210-L214 PolarHBondContact O-N 3.4Å; L211-L214 PolarHBondContact O-N 3.1Å; L212-L214 PolarHBondContact O-N 3.44Å; L214-S217 PolarHBondContact O-OG 3.2Å; L214-S218 PolarHBondContact O-N 3.37Å; L214-S218 VanDerWaalsContact O-N 3.14Å; L214-N223 PolarHBondContact O-ND2 3.27Å; L214-I226 HydrophobicContact CD1-CG2 4.33Å; L214-I226 HydrophobicContact CD2-CB 4.27Å; L214-I226 HydrophobicContact CD2-CD1 4.24Å; L214-I226 HydrophobicContact CD2-CG2 3.59Å
215I92.4Very high86.1Confident0 Ų030.6 Ų30.60%020%0.2CC..Hα-helixtrans-66.7-46.9179.3-68.9165.2000110.9W140 M144 F147 L189 I192 L211 L212 S218W140-I215 PolarHBondContact NE1-O 3.45Å; M144-I215 HydrophobicContact CE-CG2 3.65Å; M144-I215 HydrophobicContact SD-CB 4.49Å; M144-I215 HydrophobicContact SD-CG2 3.07Å; M144-I215 WeakPolarHBondContact SD-CG2 3.3Å; F147-I215 HydrophobicContact CD1-CD1 4.21Å; F147-I215 HydrophobicContact CD1-CG2 4.4Å; F147-I215 HydrophobicContact CE1-CD1 3.59Å; F147-I215 HydrophobicContact CE2-CD1 4Å; F147-I215 HydrophobicContact CZ-CD1 3.46Å; F147-I215 VanDerWaalsContact CZ-CD1 3.46Å; L189-I215 HydrophobicContact CD2-CG2 3.79Å; I192-I215 HydrophobicContact CD1-CD1 3.73Å; I192-I215 HydrophobicContact CD1-CG1 3.3Å; I192-I215 HydrophobicContact CG2-CD1 4.45Å; L211-I215 HydrophobicContact CD1-CD1 4.25Å; L211-I215 HydrophobicContact CD2-CD1 4.38Å; L211-I215 HydrophobicContact CG-CD1 3.76Å; L211-I215 HydrophobicContact CG-CG1 4.47Å; L211-I215 WeakPolarHBondContact O-CD1 3.46Å; L211-I215 VanDerWaalsContact O-CG1 3.26Å; L211-I215 WeakPolarHBondContact O-CG1 3.48Å; L211-I215 PolarHBondContact O-N 3.01Å; L212-I215 HydrophobicContact CD2-CD1 4.42Å; L212-I215 PolarHBondContact O-N 3.05Å; I215-S218 PolarHBondContact O-N 3.12Å; I215-S218 PolarHBondContact O-OG 3.24Å
216F94.4Very high86.3Confident5 Ų531.7 Ų31.72%0.02220%0.204CC..Hα-helixtrans-68.9-44178.5-80.2-72.4000112F39 V43 L85 C88 L89 L92 W140 M144 L212 S218 A219F39-F216 WeakPolarHBondContact CE1-O 3.44Å; V43-F216 HydrophobicContact CG1-CB 4.21Å; V43-F216 HydrophobicContact CG1-CD1 4.34Å; V43-F216 HydrophobicContact CG1-CD2 4.17Å; V43-F216 HydrophobicContact CG1-CG 3.99Å; V43-F216 HydrophobicContact CG2-CB 4.46Å; L85-F216 HydrophobicContact CD1-CD1 4.43Å; L85-F216 HydrophobicContact CG-CD1 4.27Å; L85-F216 HydrophobicContact CG-CE1 4.26Å; C88-F216 HydrophobicContact CB-CE1 4.16Å; C88-F216 HydrophobicContact CB-CZ 4.11Å; L89-F216 HydrophobicContact CD2-CE1 4.02Å; L89-F216 HydrophobicContact CD2-CE2 3.79Å; L89-F216 HydrophobicContact CD2-CZ 3.49Å; L89-F216 VanDerWaalsContact CD2-CZ 3.49Å; L89-F216 HydrophobicContact CG-CE1 3.97Å; L89-F216 HydrophobicContact CG-CZ 3.84Å; L92-F216 HydrophobicContact CD1-CE2 4.43Å; L92-F216 HydrophobicContact CD1-CZ 4.36Å; W140-F216 HydrophobicContact CZ2-CD1 4.39Å; M144-F216 HydrophobicContact CE-CD1 3.93Å; M144-F216 HydrophobicContact CE-CE1 3.71Å; M144-F216 HydrophobicContact CE-CG 4.48Å; M144-F216 HydrophobicContact CE-CZ 4.07Å; L212-F216 HydrophobicContact CB-CD2 4.28Å; L212-F216 HydrophobicContact CB-CE2 4.41Å; L212-F216 HydrophobicContact CD2-CE2 4.43Å; L212-F216 VanDerWaalsContact O-CD2 3.26Å; L212-F216 WeakPolarHBondContact O-CD2 3.26Å; L212-F216 PolarHBondContact O-N 3.23Å; F216-S218 PolarHBondContact O-N 3.37Å; F216-A219 WeakPolarHBondContact O-CB 3.36Å; F216-A219 PolarHBondContact O-N 3.36Å
217S94.3Very high86.6Confident0 Ų030.7 Ų30.70%020%0.196CC..Hα-helixtrans-68.8-14.9-179.9610000113.8D213 L214 A219 I220 S221 N223D213-S217 WeakPolarHBondContact O-CB 3.47Å; D213-S217 PolarHBondContact O-N 3.35Å; D213-S217 PolarHBondContact O-OG 3.42Å; L214-S217 PolarHBondContact O-OG 3.2Å; S217-A219 PolarHBondContact O-N 3.23Å; S217-I220 WeakPolarHBondContact O-CG1 3.38Å; S217-I220 PolarHBondContact O-N 3.18Å; S217-I220 VanDerWaalsContact O-N 3.07Å; S217-S221 PolarHBondContact O-N 3.48Å; S217-N223 PolarHBondContact OG-ND2 3.45Å
218S94.8Very high87.4Confident0 Ų031.3 Ų31.30%019%0.19CC..THydrogen-bonded Turntrans-67.9-2.3173.377.70000114I30 W140 L214 I215 F216 S221 N223I30-S218 WeakPolarHBondContact CD1-O 3.37Å; W140-S218 VanDerWaalsContact CD1-OG 3.24Å; W140-S218 PolarHBondContact NE1-OG 3.39Å; W140-S218 VanDerWaalsContact NE1-OG 3.12Å; L214-S218 PolarHBondContact O-N 3.37Å; L214-S218 VanDerWaalsContact O-N 3.14Å; I215-S218 PolarHBondContact O-N 3.12Å; I215-S218 PolarHBondContact O-OG 3.24Å; F216-S218 PolarHBondContact O-N 3.37Å; S218-S221 VanDerWaalsContact CA-O 3.27Å; S218-S221 WeakPolarHBondContact CA-O 3.01Å; S218-N223 PolarHBondContact N-ND2 3.03Å
219A96.1Very high87.9Confident0 Ų030.1 Ų30.10%018%0.182CC..THydrogen-bonded Turntrans-74.8-25.416900000113.1L26 F39 L137 W140 F216 S217L26-A219 HydrophobicContact CD2-CB 4.17Å; F39-A219 HydrophobicContact CZ-CB 4.3Å; L137-A219 HydrophobicContact CD2-CB 4.26Å; L137-A219 WeakPolarHBondContact CD2-O 3.17Å; W140-A219 HydrophobicContact CD2-CB 3.89Å; W140-A219 HydrophobicContact CE3-CB 4.39Å; W140-A219 HydrophobicContact CG-CB 4.34Å; W140-A219 HydrophobicContact CH2-CB 4.28Å; W140-A219 HydrophobicContact CZ2-CB 3.76Å; F216-A219 WeakPolarHBondContact O-CB 3.36Å; F216-A219 PolarHBondContact O-N 3.36Å; S217-A219 PolarHBondContact O-N 3.23Å
220I95.8Very high88.2Confident4 Ų427.6 Ų27.62%0.02117%0.174CC..THydrogen-bonded Turntrans-119.9-9.1-174.960.9152.4000113.4S25 L26 P31 N34 I36 F39 S217S25-I220 WeakPolarHBondContact O-CG2 3.46Å; L26-I220 HydrophobicContact CD2-CG2 3.76Å; P31-I220 WeakPolarHBondContact CD-O 3.46Å; P31-I220 WeakPolarHBondContact CG-O 3.45Å; N34-I220 WeakPolarHBondContact CB-O 3.2Å; N34-I220 PolarHBondContact ND2-O 3.14Å; N34-I220 VanDerWaalsContact ND2-O 3.13Å; I36-I220 HydrophobicContact CG2-CD1 4.28Å; I36-I220 HydrophobicContact CG2-CG1 4.41Å; F39-I220 HydrophobicContact CB-CD1 3.37Å; F39-I220 HydrophobicContact CB-CG1 4.31Å; F39-I220 HydrophobicContact CD1-CD1 4.2Å; F39-I220 HydrophobicContact CD1-CG1 4.25Å; F39-I220 HydrophobicContact CD2-CD1 3.86Å; F39-I220 HydrophobicContact CD2-CG1 4.15Å; F39-I220 HydrophobicContact CD2-CG2 3.7Å; F39-I220 HydrophobicContact CE2-CG2 3.56Å; F39-I220 HydrophobicContact CG-CD1 3.56Å; F39-I220 HydrophobicContact CG-CG1 3.99Å; F39-I220 HydrophobicContact CG-CG2 4.39Å; F39-I220 HydrophobicContact CZ-CG2 4.19Å; S217-I220 WeakPolarHBondContact O-CG1 3.38Å; S217-I220 PolarHBondContact O-N 3.18Å; S217-I220 VanDerWaalsContact O-N 3.07Å
221S93.4Very high88.1Confident7 Ų732.7 Ų32.75%0.04919%0.192CC..  trans-151.6140-177.4177.40000110.1P31 S217 S218 N223P31-S221 CarbonylContact O-C 3.59Å; P31-S221 WeakPolarHBondContact O-CA 3.49Å; S217-S221 PolarHBondContact O-N 3.48Å; S218-S221 VanDerWaalsContact CA-O 3.27Å; S218-S221 WeakPolarHBondContact CA-O 3.01Å; S221-N223 PolarHBondContact O-N 3.27Å; S221-N223 VanDerWaalsContact O-N 3.08Å; S221-N223 PolarHBondContact OG-N 3.21Å; S221-N223 PolarHBondContact OG-OD1 3.23Å
222S86.9Confident87.6Confident15 Ų1538 Ų3811%0.10521%0.211CC..  trans-59.1-2217476.40000113.7P31 N32 A224P31-S222 PolarHBondContact O-N 2.96Å; N32-S222 PolarHBondContact O-OG 3.08Å; S222-A224 PolarHBondContact O-N 2.75Å; S222-A224 VanDerWaalsContact O-N 3.08Å; S222-A224 PolarHBondContact OG-N 3.11Å
223N86.6Confident86.5Confident5 Ų541.4 Ų41.43%0.02722%0.224CC..  trans54.721.4-175.5-71.7-25.6000114.4I36 I188 L214 S217 S218 S221 G225 I226 L227I36-N223 WeakPolarHBondContact CG2-OD1 3.49Å; I188-N223 HydrophobicContact CD1-CB 3.29Å; I188-N223 HydrophobicContact CG1-CB 4.36Å; L214-N223 PolarHBondContact O-ND2 3.27Å; S217-N223 PolarHBondContact OG-ND2 3.45Å; S218-N223 PolarHBondContact N-ND2 3.03Å; S221-N223 PolarHBondContact O-N 3.27Å; S221-N223 VanDerWaalsContact O-N 3.08Å; S221-N223 PolarHBondContact OG-N 3.21Å; S221-N223 PolarHBondContact OG-OD1 3.23Å; N223-G225 VanDerWaalsContact C-N 3.35Å; N223-G225 PolarHBondContact O-N 3.48Å; N223-I226 PolarHBondContact O-N 3.49Å; N223-L227 PolarHBondContact O-N 2.99Å
224A83Confident85.1Confident48 Ų4850.7 Ų50.740%0.39727%0.267SS..Hα-helixtrans-54.7-45.8-175.200000113.1S222 I226 L227 M228S222-A224 PolarHBondContact O-N 2.75Å; S222-A224 VanDerWaalsContact O-N 3.08Å; S222-A224 PolarHBondContact OG-N 3.11Å; A224-I226 VanDerWaalsContact C-N 3.31Å; A224-I226 PolarHBondContact O-N 3.43Å; A224-L227 PolarHBondContact O-N 2.92Å; A224-M228 WeakPolarHBondContact O-CG 3.13Å; A224-M228 PolarHBondContact O-N 3Å
225G83Confident83.6Confident63 Ų6354.3 Ų54.365%0.64930%0.297SS*.Hα-helixtrans-63.9-33.8178.400000113.6N223N223-G225 VanDerWaalsContact C-N 3.35Å; N223-G225 PolarHBondContact O-N 3.48Å
226I84.5Confident81.3Confident43 Ų4357.6 Ų57.622%0.22131%0.31CS..Hα-helixtrans-75.9-39.2178.6-53.7171.6000110.4I36 P206 L214 N223 A224 M228 S229 C230I36-I226 HydrophobicContact CD1-CD1 3.35Å; I36-I226 HydrophobicContact CG1-CD1 4.49Å; P206-I226 HydrophobicContact CG-CG2 4.02Å; L214-I226 HydrophobicContact CD1-CG2 4.33Å; L214-I226 HydrophobicContact CD2-CB 4.27Å; L214-I226 HydrophobicContact CD2-CD1 4.24Å; L214-I226 HydrophobicContact CD2-CG2 3.59Å; N223-I226 PolarHBondContact O-N 3.49Å; A224-I226 VanDerWaalsContact C-N 3.31Å; A224-I226 PolarHBondContact O-N 3.43Å; I226-M228 PolarHBondContact O-N 3.35Å; I226-S229 WeakPolarHBondContact O-CA 3.09Å; I226-S229 PolarHBondContact O-N 2.96Å; I226-S229 PolarHBondContact O-OG 2.8Å; I226-C230 PolarHBondContact O-N 3.49Å; I226-C230 PolarHBondContact O-SG 2.96Å
227L83.7Confident79.2Confident18 Ų1861.2 Ų61.29%0.09433%0.329CS..Hα-helixtrans-57.1-39.7175.8-177.660.3000111.6N187 I188 F203 N223 A224 S229 C230N187-L227 HydrophobicContact CB-CD2 4.31Å; I188-L227 HydrophobicContact CG1-CB 4.31Å; I188-L227 HydrophobicContact CG1-CD1 4.27Å; I188-L227 HydrophobicContact CG1-CD2 4.18Å; I188-L227 HydrophobicContact CG1-CG 4.49Å; F203-L227 HydrophobicContact CD1-CD1 4.33Å; F203-L227 HydrophobicContact CE1-CD1 3.97Å; F203-L227 HydrophobicContact CE2-CD1 4.37Å; F203-L227 HydrophobicContact CZ-CD1 3.99Å; N223-L227 PolarHBondContact O-N 2.99Å; A224-L227 PolarHBondContact O-N 2.92Å; L227-S229 PolarHBondContact O-N 3.19Å; L227-C230 WeakPolarHBondContact O-CB 3.03Å; L227-C230 PolarHBondContact O-N 2.69Å
228M83.9Confident76.7Confident171 Ų17167.5 Ų67.584%0.84236%0.363SS*.THydrogen-bonded Turntrans-64.6-22.7175.4-65.3-63.1-75.900113.8A224 I226A224-M228 WeakPolarHBondContact O-CG 3.13Å; A224-M228 PolarHBondContact O-N 3Å; I226-M228 PolarHBondContact O-N 3.35Å
229S84.1Confident74.3Confident64 Ų6470.1 Ų70.145%0.44838%0.381SS..THydrogen-bonded Turntrans-91.7-4.8177.673.20000114I226 L227I226-S229 WeakPolarHBondContact O-CA 3.09Å; I226-S229 PolarHBondContact O-N 2.96Å; I226-S229 PolarHBondContact O-OG 2.8Å; L227-S229 PolarHBondContact O-N 3.19Å
230C84.4Confident71.6Confident11 Ų1173.6 Ų73.67%0.07440%0.399CS..PPolyproline II helixtrans-74.1144.6-179-65.50000111.4F203 T204 I226 L227F203-C230 HydrophobicContact CB-CB 4.09Å; F203-C230 HydrophobicContact CD2-CB 3.74Å; F203-C230 HydrophobicContact CG-CB 4.14Å; T204-C230 CarbonylContact O-C 3.54Å; T204-C230 WeakPolarHBondContact O-CA 3.31Å; I226-C230 PolarHBondContact O-N 3.49Å; I226-C230 PolarHBondContact O-SG 2.96Å; L227-C230 WeakPolarHBondContact O-CB 3.03Å; L227-C230 PolarHBondContact O-N 2.69Å
231K79.3Confident68.8Low163 Ų16374.6 Ų74.671%0.70941%0.407SS*.BIsolated β-bridgetrans-91.9134.4176.5-63.9-179.3179.6179.50110.2F203 T204F203-K231 CarbonylContact C-O 3.6Å; F203-K231 WeakPolarHBondContact CA-O 3.12Å; T204-K231 PolarHBondContact N-O 3.1Å; T204-K231 PolarHBondContact O-N 3.43Å
232Y73.6Confident66.5Low135 Ų13577.3 Ų77.353%0.52943%0.425SS..PPolyproline II helixtrans-98.1133174.7-65.3-94000109.5F203F203-Y232 HydrophobicContact CB-CD1 4.07Å; F203-Y232 HydrophobicContact CB-CE1 3.97Å; F203-Y232 HydrophobicContact CD1-CE1 4.42Å
233K65.8Low64.6Low108 Ų10877.3 Ų77.347%0.4742%0.423SS..PPolyproline II helixtrans-89129.2168.7-76.7-175.5172.7-178.50108.7P201 D240P201-K233 HydrophobicContact CB-CB 4.25Å; P201-K233 HydrophobicContact CG-CB 4.21Å; P201-K233 VanDerWaalsContact CG-O 3.32Å; P201-K233 WeakPolarHBondContact CG-O 3.2Å; K233-D240 IonicContact NZ-OD2 2.8Å; K233-D240 PolarHBondContact NZ-OD2 3.31Å
234E58.4Low62.3Low204 Ų20484.2 Ų84.295%0.95346%0.456SS*.SBendtrans-74.9-33.1178.7-70.4-175.7165.100113.2
235A56.5Low60.2Low76 Ų7684.2 Ų84.263%0.62845%0.447SS*.SBendtrans-108.6127.1-175.900000111.7
236Y45.1Very low57.9Low70 Ų7086.7 Ų86.728%0.27545%0.445SS..  trans-77.4129.5169.5-171.2-114.1000109.9N199 P201 L238N199-Y236 PolarHBondContact OD1-OH 3.36Å; P201-Y236 HydrophobicContact CB-CD2 4.16Å; P201-Y236 HydrophobicContact CG-CD2 4.49Å; Y236-L238 HydrophobicContact CD1-CG 4.23Å; Y236-L238 HydrophobicContact CE1-CB 4.26Å; Y236-L238 HydrophobicContact CE1-CD2 3.65Å; Y236-L238 HydrophobicContact CE1-CG 3.57Å
237N50Low55.2Low80 Ų8089.5 Ų89.543%0.42846%0.457SS..  trans-115.2124.2163.1-175.24.4000107S239 D240N237-S239 PolarHBondContact ND2-OG 2.87Å; N237-S239 PolarHBondContact O-N 3.48Å; N237-S239 VanDerWaalsContact O-N 3.11Å; N237-S239 PolarHBondContact OD1-N 2.84Å; N237-S239 PolarHBondContact OD1-OG 3.43Å; N237-D240 HydrophobicContact CB-CB 4.09Å; N237-D240 PolarHBondContact ND2-OD1 3.24Å; N237-D240 WeakPolarHBondContact O-CA 3.44Å; N237-D240 VanDerWaalsContact O-CB 3.28Å; N237-D240 WeakPolarHBondContact O-CB 3.16Å; N237-D240 PolarHBondContact O-N 2.98Å
238L42Very low52.6Low133 Ų13393.7 Ų93.770%0.69649%0.485SS*.G310 helixtrans-57.3-25.9179.4-84.5151.7000112.3Y236 D240Y236-L238 HydrophobicContact CD1-CG 4.23Å; Y236-L238 HydrophobicContact CE1-CB 4.26Å; Y236-L238 HydrophobicContact CE1-CD2 3.65Å; Y236-L238 HydrophobicContact CE1-CG 3.57Å; L238-D240 VanDerWaalsContact C-N 3.29Å
239S44.4Very low50Low54 Ų5488.9 Ų88.938%0.37847%0.467SS..G310 helixtrans-77.8-10.417360.60000114.3N237N237-S239 PolarHBondContact ND2-OG 2.87Å; N237-S239 PolarHBondContact O-N 3.48Å; N237-S239 VanDerWaalsContact O-N 3.11Å; N237-S239 PolarHBondContact OD1-N 2.84Å; N237-S239 PolarHBondContact OD1-OG 3.43Å
240D39.2Very low47.6Very low73 Ų7388.7 Ų88.739%0.3946%0.463SS..G310 helixtrans-94.35.3178.4-70.424.1000112K233 N237 L238 C242K233-D240 IonicContact NZ-OD2 2.8Å; K233-D240 PolarHBondContact NZ-OD2 3.31Å; N237-D240 HydrophobicContact CB-CB 4.09Å; N237-D240 PolarHBondContact ND2-OD1 3.24Å; N237-D240 WeakPolarHBondContact O-CA 3.44Å; N237-D240 VanDerWaalsContact O-CB 3.28Å; N237-D240 WeakPolarHBondContact O-CB 3.16Å; N237-D240 PolarHBondContact O-N 2.98Å; L238-D240 VanDerWaalsContact C-N 3.29Å; D240-C242 PolarHBondContact O-N 3.46Å
241C37.5Very low45Very low26 Ų2695.5 Ų95.518%0.17649%0.494CS..  trans-72.363.7175.2-159.40000110.3
242C44.5Very low42.7Very low64 Ų6492.5 Ų92.543%0.43249%0.491SS..  trans-113.793.7-179.8-61.70000107.4D240 E244D240-C242 PolarHBondContact O-N 3.46Å; C242-E244 VanDerWaalsContact C-N 3.27Å; C242-E244 PolarHBondContact O-N 3.41Å
243I48.1Very low40.7Very low14 Ų1490 Ų907%0.07249%0.49CS..SBend-53.4118.4120.5-65.7164.7000102.5F147 A151 F245F147-I243 HydrophobicContact CE1-CD1 4.37Å; F147-I243 HydrophobicContact CE2-CD1 4.19Å; F147-I243 HydrophobicContact CZ-CD1 3.62Å; F147-I243 HydrophobicContact CZ-CG1 4.19Å; A151-I243 HydrophobicContact CB-CD1 3.29Å; I243-F245 HydrophobicContact CB-CD2 4.27Å; I243-F245 HydrophobicContact CB-CE2 3.76Å; I243-F245 HydrophobicContact CB-CZ 3.95Å; I243-F245 HydrophobicContact CD1-CZ 4.35Å; I243-F245 HydrophobicContact CG2-CE1 4.1Å; I243-F245 HydrophobicContact CG2-CE2 4.13Å; I243-F245 HydrophobicContact CG2-CZ 3.87Å; I243-F245 WeakPolarHBondContact O-CD2 3.46Å; I243-F245 PolarHBondContact O-N 3.16Å
244E37.7Very low39Very low151 Ų15192.4 Ų92.471%0.70650%0.5SS*.  trans-56.480.1-176.7-68.1174.3167.300109.3C242 D246C242-E244 VanDerWaalsContact C-N 3.27Å; C242-E244 PolarHBondContact O-N 3.41Å; E244-D246 PolarHBondContact O-N 3.02Å
245F38.8Very low37.8Very low48 Ų4886 Ų8621%0.21148%0.475CS..  trans-76.5113.6161-61.4-64.6000102.1L95 W155 I243 E247L95-F245 HydrophobicContact CB-CD1 4.23Å; L95-F245 HydrophobicContact CB-CE1 3.84Å; L95-F245 HydrophobicContact CD1-CE1 3.5Å; L95-F245 VanDerWaalsContact CD1-CE1 3.5Å; L95-F245 HydrophobicContact CD1-CZ 3.7Å; L95-F245 HydrophobicContact CG-CE1 4.34Å; W155-F245 HydrophobicContact CB-CE2 4.44Å; W155-F245 HydrophobicContact CB-CZ 4.48Å; I243-F245 HydrophobicContact CB-CD2 4.27Å; I243-F245 HydrophobicContact CB-CE2 3.76Å; I243-F245 HydrophobicContact CB-CZ 3.95Å; I243-F245 HydrophobicContact CD1-CZ 4.35Å; I243-F245 HydrophobicContact CG2-CE1 4.1Å; I243-F245 HydrophobicContact CG2-CE2 4.13Å; I243-F245 HydrophobicContact CG2-CZ 3.87Å; I243-F245 WeakPolarHBondContact O-CD2 3.46Å; I243-F245 PolarHBondContact O-N 3.16Å; F245-E247 PolarHBondContact O-N 3.01Å
246D34Very low36.7Very low114 Ų11487.7 Ų87.761%0.6147%0.473SS*.SBendtrans-54.82-172.2-79.7-40.7000115.1R96 E244R96-D246 IonicContact CZ-OD2 3.3Å; R96-D246 IonicContact NH1-OD2 2.91Å; R96-D246 PolarHBondContact NH1-OD2 2.73Å; R96-D246 IonicContact NH2-OD2 4Å; R96-D246 PolarHBondContact NH2-OD2 2.62Å; E244-D246 PolarHBondContact O-N 3.02Å
247E28.9Very low36Very low102 Ų10292.5 Ų92.548%0.47750%0.498SS..SBendtrans-119.6126.9172-75.9-174.9151.600112.3C98 F245C98-E247 PolarHBondContact SG-OE2 3.49Å; F245-E247 PolarHBondContact O-N 3.01Å
248P28.3Very low35.2Very low106 Ų10694.6 Ų94.669%0.68851%0.514SS*.  trans-62.9146.8174.826.5-32.5000110.3V250P248-V250 PolarHBondContact O-N 3.07Å
249P30.2Very low34.6Very low71 Ų7197.7 Ų97.746%0.46152%0.521SS..  trans-54.8129.2174.721.5-31.4000110.1Q251P249-Q251 VanDerWaalsContact C-N 3.32Å; P249-Q251 PolarHBondContact O-N 3.45Å
250V33.1Very low34.2Very low60 Ų6099.2 Ų99.236%0.36453%0.528SS..  trans-63.895.3174.2-176.70000107.1P248 P252 M357 N404P248-V250 PolarHBondContact O-N 3.07Å; V250-P252 WeakPolarHBondContact O-CD 3.48Å; V250-M357 HydrophobicContact CG1-CE 4.46Å; V250-N404 HydrophobicContact CG2-CB 4.05Å
251Q29.4Very low34Very low153 Ų153100.6 Ų100.672%0.71554%0.544SS*.  trans-62128.1172.5-75.9-167-0.900107.9P249 V253P249-Q251 VanDerWaalsContact C-N 3.32Å; P249-Q251 PolarHBondContact O-N 3.45Å; Q251-V253 PolarHBondContact O-N 3.2Å
252P32Very low34.1Very low101 Ų101105 Ų10566%0.65657%0.572SS**  trans-58.5117.217320.6-28.4000108.6V250 K254 M357V250-P252 WeakPolarHBondContact O-CD 3.48Å; P252-K254 PolarHBondContact O-N 3.44Å; P252-M357 VanDerWaalsContact CA-CE 3.46Å; P252-M357 HydrophobicContact CB-CE 4.08Å
253V30.6Very low33.8Very low82 Ų82112.6 Ų112.650%0.49759%0.592SS.*  trans-59.8112.7171.3177.40000105.7Q251 V255 F353Q251-V253 PolarHBondContact O-N 3.2Å; V253-V255 PolarHBondContact O-N 3.08Å; V253-F353 HydrophobicContact CB-CZ 4.13Å
254K30.7Very low33.6Very low159 Ų159119.8 Ų119.869%0.69163%0.63SS**  trans-55.4111.8174.4-75.5-175177.5179.80107.6P252 D256P252-K254 PolarHBondContact O-N 3.44Å; K254-D256 PolarHBondContact O-N 3.48Å
255V32.5Very low34.3Very low70 Ų70116.3 Ų116.342%0.42461%0.613SS.*  trans-73.3121.9168-175.80000104.9V253 E257 F353V253-V255 PolarHBondContact O-N 3.08Å; V255-E257 VanDerWaalsContact C-N 3.33Å; V255-E257 PolarHBondContact O-N 3.46Å; V255-F353 HydrophobicContact CG2-CE1 3.86Å
256D33.3Very low35.2Very low111 Ų111117.4 Ų117.459%0.59463%0.625SS**  trans-56.3103.5168.5-72-48.7000107.5K254 V258K254-D256 PolarHBondContact O-N 3.48Å; D256-V258 PolarHBondContact O-N 3.4Å
257E31.5Very low36.9Very low170 Ų170123.1 Ų123.179%0.79464%0.638SS**  trans-64.4103.3174.5-75.2-177.9177.800107.1V255 K259V255-E257 VanDerWaalsContact C-N 3.33Å; V255-E257 PolarHBondContact O-N 3.46Å; E257-K259 VanDerWaalsContact C-N 3.31Å; E257-K259 PolarHBondContact O-N 2.79Å
258V32.3Very low39.3Very low125 Ų125125.9 Ų125.976%0.75865%0.651SS**  trans-60.1102.8165.6179.60000105.9D256 V260D256-V258 PolarHBondContact O-N 3.4Å; V258-V260 VanDerWaalsContact C-N 3.33Å; V258-V260 HydrophobicContact CG1-CG2 4.13Å; V258-V260 WeakPolarHBondContact O-CG2 3.27Å; V258-V260 PolarHBondContact O-N 3.24Å
259K30.7Very low42.1Very low197 Ų197122.4 Ų122.486%0.85763%0.626SS**  trans-61.795174-74.2-175.4176.4-179.20108.3E257E257-K259 VanDerWaalsContact C-N 3.31Å; E257-K259 PolarHBondContact O-N 2.79Å
260V35.5Very low44.7Very low87 Ų87121.1 Ų121.153%0.52762%0.618SS.*  trans-87.2113.2174-171.50000108.5V258 K265V258-V260 VanDerWaalsContact C-N 3.33Å; V258-V260 HydrophobicContact CG1-CG2 4.13Å; V258-V260 WeakPolarHBondContact O-CG2 3.27Å; V258-V260 PolarHBondContact O-N 3.24Å; V260-K265 VanDerWaalsContact CB-NZ 3.33Å
261S34.5Very low47.1Very low102 Ų102124.7 Ų124.771%0.71365%0.645SS**  trans-49.8137.2178.1-37.40000112.4R263S261-R263 PolarHBondContact O-N 3.3Å
262P39.6Very low49.8Very low119 Ų119119.8 Ų119.877%0.77363%0.628SS**  trans-91.3107.4-171.832.9-30.3000111.7
263R39.2Very low52.6Low223 Ų223115.4 Ų115.484%0.84260%0.598SS**SBendtrans-147.1129.4150.3-71.3-164.1175.5167.6-3.2109.3S261 K265S261-R263 PolarHBondContact O-N 3.3Å; R263-K265 PolarHBondContact O-N 3.28Å
264D42.6Very low55.4Low165 Ų165115.3 Ų115.388%0.88259%0.593SS**  trans50.853.3166.7-53.4-33000117.7
265K53.7Low58.1Low77 Ų77112.3 Ų112.334%0.33558%0.584SS.*  trans-86.1137.4172.7-78.4167.1160.2-161.90111.5V260 R263 R267 Q294V260-K265 VanDerWaalsContact CB-NZ 3.33Å; R263-K265 PolarHBondContact O-N 3.28Å; K265-R267 PolarHBondContact O-N 2.77Å; K265-Q294 HydrophobicContact CD-CG 4.37Å; K265-Q294 VanDerWaalsContact CE-NE2 3.33Å
266P57.4Low60.8Low72 Ų72109.9 Ų109.947%0.46857%0.568SS.*  trans-55.2132.7171.4-15.725.4000109.6Q268 L291 L295P266-Q268 VanDerWaalsContact C-N 3.32Å; P266-L291 HydrophobicContact CB-CD1 4.09Å; P266-L291 HydrophobicContact CB-CD2 4.42Å; P266-L291 HydrophobicContact CG-CD1 3.91Å; P266-L291 HydrophobicContact CG-CD2 4.46Å; P266-L295 WeakPolarHBondContact O-CD2 3.41Å
267R69.2Low63.5Low233 Ų233104.6 Ų104.688%0.87954%0.54SS*.SBendtrans-82.9-10.5177.6-66.9-174.5-179-174.90.2113.2K265K265-R267 PolarHBondContact O-N 2.77Å
268Q80.1Confident66.1Low160 Ų16099.6 Ų99.675%0.74852%0.517SS*.SBendtrans-141.7155.3-174-66.7-178.3-4.600110.5P266P266-Q268 VanDerWaalsContact C-N 3.32Å
269L85.1Confident68.6Low33 Ų3398.3 Ų98.317%0.17351%0.51CS..  trans-71.5147.8170.8-70.6168.8000110.2F273 L291 L292 L295 L305 P308L269-F273 HydrophobicContact CB-CB 4.44Å; L269-F273 HydrophobicContact CB-CD2 4.45Å; L269-F273 HydrophobicContact CD1-CD2 4.26Å; L269-F273 HydrophobicContact CD1-CE2 4.3Å; L269-F273 HydrophobicContact CD1-CG 4.37Å; L269-F273 HydrophobicContact CD1-CZ 4.46Å; L269-F273 HydrophobicContact CD2-CD2 3.76Å; L269-F273 HydrophobicContact CD2-CE2 3.85Å; L269-F273 HydrophobicContact CG-CD2 4.39Å; L269-L291 HydrophobicContact CD2-CB 4.41Å; L269-L291 HydrophobicContact CD2-CD2 4.05Å; L269-L291 HydrophobicContact CD2-CG 4.01Å; L269-L292 HydrophobicContact CD1-CD1 4.06Å; L269-L292 HydrophobicContact CD2-CB 4.19Å; L269-L295 HydrophobicContact CD2-CD1 3.92Å; L269-L295 HydrophobicContact CG-CD1 3.87Å; L269-L305 HydrophobicContact CD1-CD2 3.81Å; L269-L305 HydrophobicContact CG-CD2 4.21Å; L269-P308 HydrophobicContact CD1-CB 3.43Å; L269-P308 VanDerWaalsContact CD1-CB 3.43Å; L269-P308 HydrophobicContact CD1-CG 3.71Å
270P84.9Confident71.2Confident45 Ų4589.2 Ų89.229%0.29247%0.471SS..  trans-63.7146.6174.627.4-33.9000110.6C272 F273 N288P270-C272 PolarHBondContact O-N 3.14Å; P270-C272 VanDerWaalsContact O-N 3.16Å; P270-F273 HydrophobicContact CG-CB 4.37Å; P270-F273 WeakPolarHBondContact O-CB 3.32Å; P270-F273 PolarHBondContact O-N 3.08Å; P270-N288 WeakPolarHBondContact CG-OD1 3.31Å
271S85.1Confident73.8Confident134 Ų13487.9 Ų87.994%0.93747%0.466SS*.THydrogen-bonded Turntrans-57.1-32.117852.40000113F273S271-F273 PolarHBondContact O-N 3.25Å
272C86.3Confident76.5Confident51 Ų5183.9 Ų83.935%0.34544%0.436SS..THydrogen-bonded Turntrans-84.619.6175.858.70000114P270 Q274 N276P270-C272 PolarHBondContact O-N 3.14Å; P270-C272 VanDerWaalsContact O-N 3.16Å; C272-Q274 PolarHBondContact O-N 2.91Å; C272-N276 VanDerWaalsContact O-CB 3.25Å; C272-N276 WeakPolarHBondContact O-CB 3.42Å; C272-N276 PolarHBondContact O-N 3.03Å; C272-N276 PolarHBondContact O-ND2 3.28Å; C272-N276 PolarHBondContact SG-ND2 2.83Å
273F90.1Very high79.1Confident9 Ų985.6 Ų85.64%0.03943%0.431CS..Hα-helixtrans-55.1-53.1-178.2174.1-99.1000112.5L269 P270 S271 N276 L277 N288 L292 P308 S312L269-F273 HydrophobicContact CB-CB 4.44Å; L269-F273 HydrophobicContact CB-CD2 4.45Å; L269-F273 HydrophobicContact CD1-CD2 4.26Å; L269-F273 HydrophobicContact CD1-CE2 4.3Å; L269-F273 HydrophobicContact CD1-CG 4.37Å; L269-F273 HydrophobicContact CD1-CZ 4.46Å; L269-F273 HydrophobicContact CD2-CD2 3.76Å; L269-F273 HydrophobicContact CD2-CE2 3.85Å; L269-F273 HydrophobicContact CG-CD2 4.39Å; P270-F273 HydrophobicContact CG-CB 4.37Å; P270-F273 WeakPolarHBondContact O-CB 3.32Å; P270-F273 PolarHBondContact O-N 3.08Å; S271-F273 PolarHBondContact O-N 3.25Å; F273-N276 PolarHBondContact O-N 3.11Å; F273-L277 HydrophobicContact CD1-CD1 4.3Å; F273-L277 HydrophobicContact CE1-CD1 3.58Å; F273-L277 HydrophobicContact CE1-CG 4.4Å; F273-L277 HydrophobicContact CE2-CD1 4.25Å; F273-L277 HydrophobicContact CZ-CD1 3.56Å; F273-L277 HydrophobicContact CZ-CG 4.27Å; F273-L277 PolarHBondContact O-N 2.93Å; F273-L277 VanDerWaalsContact O-N 3.1Å; F273-N288 HydrophobicContact CD2-CB 3.75Å; F273-N288 HydrophobicContact CE2-CB 3.8Å; F273-L292 HydrophobicContact CE2-CB 4.17Å; F273-L292 HydrophobicContact CZ-CB 4.28Å; F273-L292 HydrophobicContact CZ-CD2 3.95Å; F273-P308 HydrophobicContact CD1-CB 4.42Å; F273-P308 HydrophobicContact CE1-CB 4Å; F273-S312 VanDerWaalsContact CZ-OG 3.25Å; F273-S312 WeakPolarHBondContact CZ-OG 3.36Å
274Q89.3Confident81.6Confident80 Ų8080.5 Ų80.537%0.37442%0.415SS..Hα-helixtrans-63-48.9-177.7-66.7-169.62.700111.4C272 N276 L277 Q278 F311C272-Q274 PolarHBondContact O-N 2.91Å; Q274-N276 VanDerWaalsContact C-N 3.28Å; Q274-N276 PolarHBondContact O-N 3.37Å; Q274-L277 PolarHBondContact O-N 3.23Å; Q274-L277 VanDerWaalsContact O-N 3.11Å; Q274-Q278 PolarHBondContact O-N 2.88Å; Q274-Q278 VanDerWaalsContact O-N 3.16Å; Q274-F311 HydrophobicContact CB-CD1 4.22Å; Q274-F311 HydrophobicContact CB-CE1 3.6Å; Q274-F311 HydrophobicContact CB-CE2 4.12Å; Q274-F311 HydrophobicContact CB-CZ 3.53Å; Q274-F311 HydrophobicContact CG-CD1 3.77Å; Q274-F311 HydrophobicContact CG-CD2 4.07Å; Q274-F311 HydrophobicContact CG-CE1 3.68Å; Q274-F311 HydrophobicContact CG-CE2 3.98Å; Q274-F311 HydrophobicContact CG-CG 3.97Å; Q274-F311 HydrophobicContact CG-CZ 3.78Å
275D87.1Confident84Confident95 Ų9572.6 Ų72.651%0.50837%0.373SS..Hα-helixtrans-57.2-41.6177.5-63.4-27.8000112Q278 T279D275-Q278 PolarHBondContact O-N 2.72Å; D275-T279 PolarHBondContact O-N 2.78Å; D275-T279 PolarHBondContact O-OG1 2.98Å
276N90.2Very high86Confident19 Ų1970.2 Ų70.210%0.10236%0.364CS..Hα-helixtrans-69.6-32.5179.5-78.2-42.5000112.8C272 F273 Q274 Q278 G280 I285 N288C272-N276 VanDerWaalsContact O-CB 3.25Å; C272-N276 WeakPolarHBondContact O-CB 3.42Å; C272-N276 PolarHBondContact O-N 3.03Å; C272-N276 PolarHBondContact O-ND2 3.28Å; C272-N276 PolarHBondContact SG-ND2 2.83Å; F273-N276 PolarHBondContact O-N 3.11Å; Q274-N276 VanDerWaalsContact C-N 3.28Å; Q274-N276 PolarHBondContact O-N 3.37Å; N276-Q278 VanDerWaalsContact C-N 3.29Å; N276-G280 WeakPolarHBondContact O-CA 3.14Å; N276-G280 PolarHBondContact O-N 2.99Å; N276-I285 WeakPolarHBondContact O-CG1 3.29Å; N276-N288 WeakPolarHBondContact CB-ND2 3.33Å; N276-N288 PolarHBondContact ND2-ND2 3.17Å
277L89.6Confident87.7Confident0 Ų070.3 Ų70.30%037%0.366CS..Hα-helixtrans-66.6-36.5173.4-70.4-173.9000111.3F273 Q274 I285 N288 L289 F311 S312 I319F273-L277 HydrophobicContact CD1-CD1 4.3Å; F273-L277 HydrophobicContact CE1-CD1 3.58Å; F273-L277 HydrophobicContact CE1-CG 4.4Å; F273-L277 HydrophobicContact CE2-CD1 4.25Å; F273-L277 HydrophobicContact CZ-CD1 3.56Å; F273-L277 HydrophobicContact CZ-CG 4.27Å; F273-L277 PolarHBondContact O-N 2.93Å; F273-L277 VanDerWaalsContact O-N 3.1Å; Q274-L277 PolarHBondContact O-N 3.23Å; Q274-L277 VanDerWaalsContact O-N 3.11Å; L277-I285 HydrophobicContact CD2-CG2 4.16Å; L277-N288 HydrophobicContact CD2-CB 4.28Å; L277-L289 HydrophobicContact CD1-CD2 4.33Å; L277-L289 HydrophobicContact CD2-CD2 3.72Å; L277-L289 HydrophobicContact CD2-CG 3.78Å; L277-F311 HydrophobicContact CB-CE1 4.36Å; L277-F311 HydrophobicContact CD1-CD1 4.07Å; L277-F311 HydrophobicContact CD1-CE1 4.21Å; L277-S312 WeakPolarHBondContact CD1-OG 3.25Å; L277-I319 HydrophobicContact CB-CD1 4.25Å; L277-I319 HydrophobicContact CD2-CD1 4.35Å
278Q86.2Confident88.9Confident65 Ų6559.7 Ų59.730%0.30433%0.327SS..Hα-helixtrans-80.5-46-179.4-67.6179-25.900112.7Q274 D275 N276 F311 F318 R322Q274-Q278 PolarHBondContact O-N 2.88Å; Q274-Q278 VanDerWaalsContact O-N 3.16Å; D275-Q278 PolarHBondContact O-N 2.72Å; N276-Q278 VanDerWaalsContact C-N 3.29Å; Q278-F311 HydrophobicContact CG-CZ 4.2Å; Q278-F318 HydrophobicContact CB-CE1 4.33Å; Q278-F318 VanDerWaalsContact O-CE1 3.29Å; Q278-F318 WeakPolarHBondContact O-CE1 3.39Å; Q278-R322 PolarHBondContact O-NH1 3.24Å
279T84.8Confident89.6Confident99 Ų9952.1 Ų52.161%0.60729%0.291SS*.Hα-helixtrans-116.8-15.2-168.867.40000113.7D275 R322D275-T279 PolarHBondContact O-N 2.78Å; D275-T279 PolarHBondContact O-OG1 2.98Å; T279-R322 VanDerWaalsContact CA-NH1 3.31Å; T279-R322 PolarHBondContact O-NH1 2.74Å; T279-R322 PolarHBondContact O-NH2 3.43Å
280G85Confident90Very high5 Ų552.9 Ų52.95%0.05230%0.299CS..  trans-64.5161.6-175.900000113.9N276 I285 R322N276-G280 WeakPolarHBondContact O-CA 3.14Å; N276-G280 PolarHBondContact O-N 2.99Å; G280-I285 WeakPolarHBondContact O-CD1 3.45Å; G280-R322 VanDerWaalsContact O-CZ 3.28Å; G280-R322 PolarHBondContact O-NH1 3.47Å; G280-R322 PolarHBondContact O-NH2 3.05Å
281S89.7Confident90.3Very high59 Ų5951.9 Ų51.941%0.41329%0.291SS..  trans-70.3166.7173.267.20000111.4K283 K284 I285S281-K283 PolarHBondContact O-N 3Å; S281-K283 VanDerWaalsContact O-N 3.17Å; S281-K284 PolarHBondContact O-N 2.78Å; S281-K284 PolarHBondContact OG-N 3.21Å; S281-I285 WeakPolarHBondContact O-CG1 3.42Å; S281-I285 PolarHBondContact O-N 3.35Å
282F92.1Very high90.7Very high19 Ų1945.5 Ų45.58%0.08325%0.247CC..Hα-helixtrans-48-45.8174.1-75.7-115.5000111.7I285 L286 L323 C326 L327 N337 L340 I344F282-I285 PolarHBondContact O-N 3.07Å; F282-L286 WeakPolarHBondContact O-CB 3.2Å; F282-L286 PolarHBondContact O-N 2.89Å; F282-L323 HydrophobicContact CD1-CD1 4.41Å; F282-L323 HydrophobicContact CD1-CD2 3.78Å; F282-L323 HydrophobicContact CD1-CG 4.49Å; F282-L323 HydrophobicContact CD2-CD2 3.67Å; F282-L323 HydrophobicContact CE1-CB 3.88Å; F282-L323 HydrophobicContact CE1-CD1 4.37Å; F282-L323 HydrophobicContact CE1-CD2 3.66Å; F282-L323 HydrophobicContact CE1-CG 4.14Å; F282-L323 HydrophobicContact CE2-CD2 3.51Å; F282-L323 HydrophobicContact CG-CD2 3.79Å; F282-L323 HydrophobicContact CZ-CB 3.85Å; F282-L323 HydrophobicContact CZ-CD2 3.51Å; F282-L323 HydrophobicContact CZ-CG 4.21Å; F282-C326 HydrophobicContact CE2-CB 3.87Å; F282-C326 HydrophobicContact CZ-CB 3.96Å; F282-L327 HydrophobicContact CE1-CD1 4.49Å; F282-L327 HydrophobicContact CE1-CD2 4.45Å; F282-L327 HydrophobicContact CE1-CG 4.36Å; F282-L327 HydrophobicContact CZ-CD2 4.41Å; F282-L327 HydrophobicContact CZ-CG 4.22Å; F282-N337 HydrophobicContact CD1-CB 4.29Å; F282-N337 WeakPolarHBondContact CD1-O 3.25Å; F282-N337 HydrophobicContact CE1-CB 4.16Å; F282-N337 HydrophobicContact CZ-CB 4.41Å; F282-L340 HydrophobicContact CB-CB 3.88Å; F282-L340 HydrophobicContact CB-CD1 3.61Å; F282-L340 HydrophobicContact CB-CG 4.35Å; F282-L340 HydrophobicContact CD1-CB 3.94Å; F282-L340 HydrophobicContact CG-CB 4.39Å; F282-I344 HydrophobicContact CB-CD1 4.49Å; F282-I344 HydrophobicContact CD1-CD1 4.49Å; F282-I344 WeakPolarHBondContact O-CD1 3.34Å
283K92.8Very high90.9Very high154 Ų15446.3 Ų46.367%0.6724%0.244SC*.Hα-helixtrans-63.1-43.6178.4-67.8-175.3179.6-179.80112.6S281 S287 L340S281-K283 PolarHBondContact O-N 3Å; S281-K283 VanDerWaalsContact O-N 3.17Å; K283-S287 WeakPolarHBondContact O-CB 3.35Å; K283-S287 PolarHBondContact O-N 2.89Å; K283-L340 HydrophobicContact CG-CD1 3.68Å; K283-L340 HydrophobicContact CG-CD2 4.39Å
284K92.2Very high90.8Very high116 Ų11648.8 Ų48.850%0.50426%0.256SS..Hα-helixtrans-66.4-43.8179.3-71.9-172.4176-172.70111.6S281 S287 N288S281-K284 PolarHBondContact O-N 2.78Å; S281-K284 PolarHBondContact OG-N 3.21Å; K284-S287 PolarHBondContact O-N 3.44Å; K284-N288 PolarHBondContact O-N 3.25Å; K284-N288 PolarHBondContact O-ND2 2.9Å
285I93.3Very high90.7Very high0 Ų045.1 Ų45.10%024%0.239CC..Hα-helixtrans-59.6-51.5176.5-66.3166.9000109.9N276 L277 G280 S281 F282 S287 N288 L289 I319 L323 I344N276-I285 WeakPolarHBondContact O-CG1 3.29Å; L277-I285 HydrophobicContact CD2-CG2 4.16Å; G280-I285 WeakPolarHBondContact O-CD1 3.45Å; S281-I285 WeakPolarHBondContact O-CG1 3.42Å; S281-I285 PolarHBondContact O-N 3.35Å; F282-I285 PolarHBondContact O-N 3.07Å; I285-S287 VanDerWaalsContact C-N 3.34Å; I285-S287 PolarHBondContact O-N 3.47Å; I285-N288 PolarHBondContact O-N 3.31Å; I285-L289 HydrophobicContact CG2-CD1 3.81Å; I285-L289 HydrophobicContact CG2-CG 4.35Å; I285-L289 WeakPolarHBondContact O-CG 3.48Å; I285-L289 PolarHBondContact O-N 3.23Å; I285-I319 HydrophobicContact CG2-CG2 4.03Å; I285-L323 HydrophobicContact CD1-CD2 4.07Å; I285-I344 HydrophobicContact CB-CD1 4.19Å; I285-I344 HydrophobicContact CG2-CD1 3.98Å; I285-I344 HydrophobicContact CG2-CG1 4.28Å; I285-I344 HydrophobicContact CG2-CG2 4.11Å
286L95.7Very high90.5Very high27 Ų2741 Ų4114%0.14122%0.217CC..Hα-helixtrans-58.4-45.7178.9179.261.8000111.8F282 N288 S290 L340 K343 I344 L347F282-L286 WeakPolarHBondContact O-CB 3.2Å; F282-L286 PolarHBondContact O-N 2.89Å; L286-N288 VanDerWaalsContact C-N 3.35Å; L286-N288 PolarHBondContact O-N 2.93Å; L286-S290 VanDerWaalsContact O-CB 3.23Å; L286-S290 WeakPolarHBondContact O-CB 3.17Å; L286-S290 PolarHBondContact O-N 3.46Å; L286-S290 PolarHBondContact O-OG 2.8Å; L286-L340 HydrophobicContact CD2-CD2 3.46Å; L286-L340 VanDerWaalsContact CD2-CD2 3.46Å; L286-K343 HydrophobicContact CD1-CB 3.74Å; L286-K343 HydrophobicContact CD2-CB 4.1Å; L286-K343 HydrophobicContact CD2-CD 4Å; L286-I344 HydrophobicContact CB-CD1 4.16Å; L286-I344 HydrophobicContact CB-CG1 3.82Å; L286-I344 HydrophobicContact CD1-CG1 4.04Å; L286-I344 HydrophobicContact CG-CG1 4.49Å; L286-L347 HydrophobicContact CD1-CD2 4Å
287S92.8Very high89.9Confident74 Ų7442.9 Ų42.952%0.51724%0.241SC..Hα-helixtrans-58.7-45.7179.1-172.70000111.8K283 K284 I285 S290 L291K283-S287 WeakPolarHBondContact O-CB 3.35Å; K283-S287 PolarHBondContact O-N 2.89Å; K284-S287 PolarHBondContact O-N 3.44Å; I285-S287 VanDerWaalsContact C-N 3.34Å; I285-S287 PolarHBondContact O-N 3.47Å; S287-S290 PolarHBondContact O-N 2.83Å; S287-L291 WeakPolarHBondContact O-CB 3.16Å; S287-L291 PolarHBondContact O-N 3.5Å
288N93.7Very high89.1Confident10 Ų1047.2 Ų47.25%0.05326%0.264CS..Hα-helixtrans-69.4-44.7-178.9-78.5-23.5000112.8P270 F273 N276 L277 K284 I285 L286 S290 L291 L292P270-N288 WeakPolarHBondContact CG-OD1 3.31Å; F273-N288 HydrophobicContact CD2-CB 3.75Å; F273-N288 HydrophobicContact CE2-CB 3.8Å; N276-N288 WeakPolarHBondContact CB-ND2 3.33Å; N276-N288 PolarHBondContact ND2-ND2 3.17Å; L277-N288 HydrophobicContact CD2-CB 4.28Å; K284-N288 PolarHBondContact O-N 3.25Å; K284-N288 PolarHBondContact O-ND2 2.9Å; I285-N288 PolarHBondContact O-N 3.31Å; L286-N288 VanDerWaalsContact C-N 3.35Å; L286-N288 PolarHBondContact O-N 2.93Å; N288-S290 VanDerWaalsContact C-N 3.27Å; N288-S290 PolarHBondContact O-N 3.16Å; N288-L291 PolarHBondContact O-N 2.78Å; N288-L292 WeakPolarHBondContact O-CB 3.38Å; N288-L292 PolarHBondContact O-N 3.48Å
289L95.4Very high87.9Confident0 Ų049 Ų490%028%0.284CS..Hα-helixtrans-63.2-37.2175.6-67.7176.2000111.4L277 I285 L292 K293 I344 L347 L348 L351L277-L289 HydrophobicContact CD1-CD2 4.33Å; L277-L289 HydrophobicContact CD2-CD2 3.72Å; L277-L289 HydrophobicContact CD2-CG 3.78Å; I285-L289 HydrophobicContact CG2-CD1 3.81Å; I285-L289 HydrophobicContact CG2-CG 4.35Å; I285-L289 WeakPolarHBondContact O-CG 3.48Å; I285-L289 PolarHBondContact O-N 3.23Å; L289-L292 PolarHBondContact O-N 3.19Å; L289-K293 PolarHBondContact O-N 2.88Å; L289-I344 HydrophobicContact CD1-CG2 3.94Å; L289-L347 HydrophobicContact CB-CD2 3.41Å; L289-L347 VanDerWaalsContact CB-CD2 3.41Å; L289-L347 HydrophobicContact CB-CG 4Å; L289-L348 HydrophobicContact CD1-CD2 3.7Å; L289-L348 HydrophobicContact CD1-CG 3.96Å; L289-L348 HydrophobicContact CD2-CD2 3.94Å; L289-L348 HydrophobicContact CG-CD2 4.49Å; L289-L351 HydrophobicContact CD2-CD1 3.95Å
290S94.3Very high86.9Confident49 Ų4951.8 Ų51.834%0.34330%0.295SS..Hα-helixtrans-68.5-41.5179.3-59.30000110.7L286 S287 N288 K293 Q294L286-S290 VanDerWaalsContact O-CB 3.23Å; L286-S290 WeakPolarHBondContact O-CB 3.17Å; L286-S290 PolarHBondContact O-N 3.46Å; L286-S290 PolarHBondContact O-OG 2.8Å; S287-S290 PolarHBondContact O-N 2.83Å; N288-S290 VanDerWaalsContact C-N 3.27Å; N288-S290 PolarHBondContact O-N 3.16Å; S290-K293 PolarHBondContact O-N 2.81Å; S290-Q294 VanDerWaalsContact O-CB 3.28Å; S290-Q294 WeakPolarHBondContact O-CB 3.41Å; S290-Q294 PolarHBondContact O-N 2.82Å
291L91.2Very high85.7Confident24 Ų2452.6 Ų52.613%0.12630%0.3CS..Hα-helixtrans-63.2-44.9174.1-177.661.6000111.3P266 L269 S287 N288 Q294 L295P266-L291 HydrophobicContact CB-CD1 4.09Å; P266-L291 HydrophobicContact CB-CD2 4.42Å; P266-L291 HydrophobicContact CG-CD1 3.91Å; P266-L291 HydrophobicContact CG-CD2 4.46Å; L269-L291 HydrophobicContact CD2-CB 4.41Å; L269-L291 HydrophobicContact CD2-CD2 4.05Å; L269-L291 HydrophobicContact CD2-CG 4.01Å; S287-L291 WeakPolarHBondContact O-CB 3.16Å; S287-L291 PolarHBondContact O-N 3.5Å; N288-L291 PolarHBondContact O-N 2.78Å; L291-Q294 PolarHBondContact O-N 3.02Å; L291-L295 HydrophobicContact CD1-CD1 4.13Å; L291-L295 HydrophobicContact CD1-CG 4.16Å; L291-L295 HydrophobicContact CG-CD1 3.95Å; L291-L295 HydrophobicContact CG-CG 4.39Å; L291-L295 WeakPolarHBondContact O-CB 3.32Å; L291-L295 VanDerWaalsContact O-CG 3.27Å; L291-L295 WeakPolarHBondContact O-CG 3.29Å; L291-L295 PolarHBondContact O-N 3.12Å
292L92.3Very high84.6Confident0 Ų052.4 Ų52.40%029%0.292CS..Hα-helixtrans-56.8-52.7174.8173.465.3000111L269 F273 N288 L289 Q294 L295 L296 L305 P308 L309 S312 L351L269-L292 HydrophobicContact CD1-CD1 4.06Å; L269-L292 HydrophobicContact CD2-CB 4.19Å; F273-L292 HydrophobicContact CE2-CB 4.17Å; F273-L292 HydrophobicContact CZ-CB 4.28Å; F273-L292 HydrophobicContact CZ-CD2 3.95Å; N288-L292 WeakPolarHBondContact O-CB 3.38Å; N288-L292 PolarHBondContact O-N 3.48Å; L289-L292 PolarHBondContact O-N 3.19Å; L292-Q294 VanDerWaalsContact C-N 3.28Å; L292-Q294 PolarHBondContact O-N 3.36Å; L292-L295 PolarHBondContact O-N 3.38Å; L292-L296 HydrophobicContact CD1-CD1 3.92Å; L292-L296 HydrophobicContact CD1-CG 4.05Å; L292-L296 HydrophobicContact CG-CD1 3.86Å; L292-L296 HydrophobicContact CG-CG 4.4Å; L292-L296 WeakPolarHBondContact O-CG 3.47Å; L292-L296 PolarHBondContact O-N 2.93Å; L292-L305 HydrophobicContact CD1-CB 4.49Å; L292-L305 HydrophobicContact CD1-CD2 4.41Å; L292-P308 HydrophobicContact CD1-CB 4.15Å; L292-L309 HydrophobicContact CD2-CD1 4.48Å; L292-S312 WeakPolarHBondContact CD2-OG 3.35Å; L292-L351 HydrophobicContact CD2-CD1 4.11Å; L292-L351 HydrophobicContact CD2-CD2 4.4Å; L292-L351 HydrophobicContact CG-CD2 4.5Å
293K91.2Very high83.6Confident68 Ų6858.3 Ų58.330%0.29633%0.325SS..Hα-helixtrans-57.4-43.3179-178.4177.5177-164.50111.8L289 S290 L296 G297 L347 L351L289-K293 PolarHBondContact O-N 2.88Å; S290-K293 PolarHBondContact O-N 2.81Å; K293-L296 PolarHBondContact O-N 2.94Å; K293-G297 PolarHBondContact O-N 3.03Å; K293-L347 HydrophobicContact CB-CD1 3.91Å; K293-L347 HydrophobicContact CD-CD1 3.35Å; K293-L347 HydrophobicContact CG-CD1 4.21Å; K293-L351 HydrophobicContact CB-CD2 4.04Å; K293-L351 HydrophobicContact CG-CD2 4.48Å
294Q87.3Confident82.8Confident61 Ų6155.3 Ų55.329%0.28532%0.323SS..Hα-helixtrans-63.7-42.1178.9-174.3-168-75.900112.2K265 S290 L291 L292 G297K265-Q294 HydrophobicContact CD-CG 4.37Å; K265-Q294 VanDerWaalsContact CE-NE2 3.33Å; S290-Q294 VanDerWaalsContact O-CB 3.28Å; S290-Q294 WeakPolarHBondContact O-CB 3.41Å; S290-Q294 PolarHBondContact O-N 2.82Å; L291-Q294 PolarHBondContact O-N 3.02Å; L292-Q294 VanDerWaalsContact C-N 3.28Å; L292-Q294 PolarHBondContact O-N 3.36Å; Q294-G297 PolarHBondContact O-N 3.15Å
295L87.1Confident82.5Confident4 Ų450.3 Ų50.32%0.02130%0.302CS..Hα-helixtrans-69.4-35.7178.5-72.1174.1000111.9P266 L269 L291 L292 G297 N298 S301 L305P266-L295 WeakPolarHBondContact O-CD2 3.41Å; L269-L295 HydrophobicContact CD2-CD1 3.92Å; L269-L295 HydrophobicContact CG-CD1 3.87Å; L291-L295 HydrophobicContact CD1-CD1 4.13Å; L291-L295 HydrophobicContact CD1-CG 4.16Å; L291-L295 HydrophobicContact CG-CD1 3.95Å; L291-L295 HydrophobicContact CG-CG 4.39Å; L291-L295 WeakPolarHBondContact O-CB 3.32Å; L291-L295 VanDerWaalsContact O-CG 3.27Å; L291-L295 WeakPolarHBondContact O-CG 3.29Å; L291-L295 PolarHBondContact O-N 3.12Å; L292-L295 PolarHBondContact O-N 3.38Å; L295-G297 PolarHBondContact O-N 3.11Å; L295-N298 WeakPolarHBondContact O-CB 3.3Å; L295-N298 PolarHBondContact O-N 3.4Å; L295-S301 PolarHBondContact O-OG 2.79Å; L295-S301 VanDerWaalsContact O-OG 3.06Å; L295-L305 VanDerWaalsContact C-CD1 3.41Å; L295-L305 HydrophobicContact CB-CD1 3.53Å; L295-L305 HydrophobicContact CB-CD2 4.21Å; L295-L305 HydrophobicContact CD1-CD2 4.24Å; L295-L305 WeakPolarHBondContact O-CD1 3.47Å
296L83.9Confident82Confident7 Ų752.3 Ų52.34%0.03731%0.312CS..Hα-helixtrans-64.4-22.9174-73.1168.8000113L292 K293 N298 L305 L309 L351L292-L296 HydrophobicContact CD1-CD1 3.92Å; L292-L296 HydrophobicContact CD1-CG 4.05Å; L292-L296 HydrophobicContact CG-CD1 3.86Å; L292-L296 HydrophobicContact CG-CG 4.4Å; L292-L296 WeakPolarHBondContact O-CG 3.47Å; L292-L296 PolarHBondContact O-N 2.93Å; K293-L296 PolarHBondContact O-N 2.94Å; L296-N298 PolarHBondContact O-N 2.86Å; L296-L305 HydrophobicContact CD2-CB 3.64Å; L296-L305 HydrophobicContact CD2-CD1 4.03Å; L296-L305 HydrophobicContact CG-CB 4.42Å; L296-L305 HydrophobicContact CG-CD1 4.23Å; L296-L309 HydrophobicContact CD1-CB 4.44Å; L296-L309 HydrophobicContact CD1-CD1 3.95Å; L296-L309 HydrophobicContact CD1-CD2 4.17Å; L296-L309 HydrophobicContact CD1-CG 4.41Å; L296-L309 HydrophobicContact CD2-CD2 4.3Å; L296-L351 HydrophobicContact CD1-CD2 3.8Å
297G77.3Confident81.5Confident60 Ų6057.7 Ų57.762%0.61934%0.337SS*.THydrogen-bonded Turntrans-72-11.4172.100000114.2K293 Q294 L295K293-G297 PolarHBondContact O-N 3.03Å; Q294-G297 PolarHBondContact O-N 3.15Å; L295-G297 PolarHBondContact O-N 3.11Å
298N73.4Confident81.3Confident90 Ų9055.2 Ų55.248%0.48132%0.319SS..SBendtrans-95.8119.2176.2-61.6-25.1000109.7L295 L296 D300 S301L295-N298 WeakPolarHBondContact O-CB 3.3Å; L295-N298 PolarHBondContact O-N 3.4Å; L296-N298 PolarHBondContact O-N 2.86Å; N298-D300 PolarHBondContact O-N 2.83Å; N298-D300 VanDerWaalsContact O-N 3.15Å; N298-S301 PolarHBondContact O-N 2.76Å; N298-S301 PolarHBondContact O-OG 3.3Å
299S60.5Low81.1Confident102 Ų10254.8 Ų54.871%0.71332%0.317SS*.G310 helixtrans-53.4-36.7-176.450.70000114S301S299-S301 PolarHBondContact O-N 3.43Å
300D63.6Low80.7Confident159 Ų15955.8 Ų55.885%0.8532%0.322SS*.G310 helixtrans-72.8-15.8-169.4-57.3-14.2000113.2N298N298-D300 PolarHBondContact O-N 2.83Å; N298-D300 VanDerWaalsContact O-N 3.15Å
301S59.2Low80.4Confident21 Ų2155 Ų5515%0.14731%0.313CS..G310 helixtrans-110.53.9-173.744.70000115.2L295 N298 S299 N303 S304 L305L295-S301 PolarHBondContact O-OG 2.79Å; L295-S301 VanDerWaalsContact O-OG 3.06Å; N298-S301 PolarHBondContact O-N 2.76Å; N298-S301 PolarHBondContact O-OG 3.3Å; S299-S301 PolarHBondContact O-N 3.43Å; S301-N303 PolarHBondContact O-N 2.91Å; S301-S304 PolarHBondContact O-N 2.93Å; S301-S304 PolarHBondContact O-OG 2.99Å; S301-S304 VanDerWaalsContact O-OG 3.05Å; S301-L305 WeakPolarHBondContact O-CB 3.48Å; S301-L305 WeakPolarHBondContact O-CD1 3.43Å; S301-L305 WeakPolarHBondContact O-CG 3.38Å; S301-L305 PolarHBondContact O-N 3.33Å; S301-L305 VanDerWaalsContact O-N 3.13Å
302H67.2Low80.4Confident55 Ų5553.9 Ų53.926%0.25531%0.307SS..Hα-helixtrans-57.8-45.8-171.8-159.8-74.9000112.8S304 L305 L306 D358H302-S304 PolarHBondContact O-N 3.32Å; H302-L305 PolarHBondContact O-N 3.11Å; H302-L306 PolarHBondContact O-N 3.26Å; H302-D358 IonicContact CE1-OD2 3.92Å; H302-D358 IonicContact NE2-OD2 3.03Å; H302-D358 PolarHBondContact NE2-OD2 2.94Å
303N70.3Confident80.3Confident143 Ų14353.9 Ų53.977%0.76531%0.307SS*.Hα-helixtrans-65.7-38.8-179.9-73.6-19000113.5S301 L305 L306S301-N303 PolarHBondContact O-N 2.91Å; N303-L305 VanDerWaalsContact C-N 3.3Å; N303-L305 PolarHBondContact O-N 2.64Å; N303-L306 WeakPolarHBondContact O-CB 3.23Å
304S78Confident80Confident91 Ų9155.3 Ų55.364%0.63631%0.31SS*.Hα-helixtrans-75.6-20.5-179.759.30000112.9S301 H302S301-S304 PolarHBondContact O-N 2.93Å; S301-S304 PolarHBondContact O-OG 2.99Å; S301-S304 VanDerWaalsContact O-OG 3.05Å; H302-S304 PolarHBondContact O-N 3.32Å
305L84.9Confident80.1Confident11 Ų1154.1 Ų54.16%0.05830%0.304CS..Hα-helixtrans-93.8-5.6179-63.2169.9000113.5L269 L292 L295 L296 S301 H302 N303 E307 P308 L309L269-L305 HydrophobicContact CD1-CD2 3.81Å; L269-L305 HydrophobicContact CG-CD2 4.21Å; L292-L305 HydrophobicContact CD1-CB 4.49Å; L292-L305 HydrophobicContact CD1-CD2 4.41Å; L295-L305 VanDerWaalsContact C-CD1 3.41Å; L295-L305 HydrophobicContact CB-CD1 3.53Å; L295-L305 HydrophobicContact CB-CD2 4.21Å; L295-L305 HydrophobicContact CD1-CD2 4.24Å; L295-L305 WeakPolarHBondContact O-CD1 3.47Å; L296-L305 HydrophobicContact CD2-CB 3.64Å; L296-L305 HydrophobicContact CD2-CD1 4.03Å; L296-L305 HydrophobicContact CG-CB 4.42Å; L296-L305 HydrophobicContact CG-CD1 4.23Å; S301-L305 WeakPolarHBondContact O-CB 3.48Å; S301-L305 WeakPolarHBondContact O-CD1 3.43Å; S301-L305 WeakPolarHBondContact O-CG 3.38Å; S301-L305 PolarHBondContact O-N 3.33Å; S301-L305 VanDerWaalsContact O-N 3.13Å; H302-L305 PolarHBondContact O-N 3.11Å; N303-L305 VanDerWaalsContact C-N 3.3Å; N303-L305 PolarHBondContact O-N 2.64Å; L305-E307 PolarHBondContact O-N 3.27Å; L305-P308 WeakPolarHBondContact O-CD 3.41Å; L305-L309 VanDerWaalsContact O-CB 3.31Å; L305-L309 WeakPolarHBondContact O-CB 3.39Å; L305-L309 PolarHBondContact O-N 2.96Å
306L82.3Confident80.3Confident42 Ų4253.9 Ų53.922%0.2230%0.303CS..Hα-helixtrans-57.8-48.1-178.4-17662.5000112.4H302 N303 L309 I310 T360H302-L306 PolarHBondContact O-N 3.26Å; N303-L306 WeakPolarHBondContact O-CB 3.23Å; L306-L309 PolarHBondContact O-N 2.91Å; L306-I310 HydrophobicContact CD1-CD1 4.18Å; L306-I310 HydrophobicContact CG-CD1 3.96Å; L306-I310 WeakPolarHBondContact O-CB 3.08Å; L306-I310 WeakPolarHBondContact O-CD1 3.07Å; L306-I310 VanDerWaalsContact O-CG1 3.24Å; L306-I310 WeakPolarHBondContact O-CG1 3.24Å; L306-I310 PolarHBondContact O-N 3.04Å; L306-T360 HydrophobicContact CD1-CG2 3.38Å
307E85.1Confident80.5Confident141 Ų14154.8 Ų54.866%0.65931%0.31SS*.Hα-helixtrans-66-48.9178176.6-174.1-164.100112.2L305 L309 I310 F311L305-E307 PolarHBondContact O-N 3.27Å; E307-L309 VanDerWaalsContact C-N 3.28Å; E307-L309 PolarHBondContact O-N 2.9Å; E307-I310 PolarHBondContact O-N 3.33Å; E307-F311 WeakPolarHBondContact O-CB 3.49Å; E307-F311 PolarHBondContact O-N 3.36Å
308P88.8Confident81Confident22 Ų2256.8 Ų56.814%0.14330%0.302CS..Hα-helixtrans-54.8-39.3171.2-28.832.9000114.7L269 F273 L292 L305 S312L269-P308 HydrophobicContact CD1-CB 3.43Å; L269-P308 VanDerWaalsContact CD1-CB 3.43Å; L269-P308 HydrophobicContact CD1-CG 3.71Å; F273-P308 HydrophobicContact CD1-CB 4.42Å; F273-P308 HydrophobicContact CE1-CB 4Å; L292-P308 HydrophobicContact CD1-CB 4.15Å; L305-P308 WeakPolarHBondContact O-CD 3.41Å; P308-S312 WeakPolarHBondContact O-CB 3.37Å; P308-S312 PolarHBondContact O-N 3.34Å; P308-S312 PolarHBondContact O-OG 3.24Å
309L89.5Confident81.8Confident1 Ų152.6 Ų52.61%0.00528%0.279CS..Hα-helixtrans-63.1-54.517517459.3000110.3L292 L296 L305 L306 E307 F311 S312 L313 L351 A355 T360L292-L309 HydrophobicContact CD2-CD1 4.48Å; L296-L309 HydrophobicContact CD1-CB 4.44Å; L296-L309 HydrophobicContact CD1-CD1 3.95Å; L296-L309 HydrophobicContact CD1-CD2 4.17Å; L296-L309 HydrophobicContact CD1-CG 4.41Å; L296-L309 HydrophobicContact CD2-CD2 4.3Å; L305-L309 VanDerWaalsContact O-CB 3.31Å; L305-L309 WeakPolarHBondContact O-CB 3.39Å; L305-L309 PolarHBondContact O-N 2.96Å; L306-L309 PolarHBondContact O-N 2.91Å; E307-L309 VanDerWaalsContact C-N 3.28Å; E307-L309 PolarHBondContact O-N 2.9Å; L309-F311 VanDerWaalsContact C-N 3.27Å; L309-F311 PolarHBondContact O-N 3.18Å; L309-S312 WeakPolarHBondContact O-CB 3.23Å; L309-S312 PolarHBondContact O-N 3.43Å; L309-L313 HydrophobicContact CD1-CD1 4.13Å; L309-L313 HydrophobicContact CD1-CD2 4.24Å; L309-L313 HydrophobicContact CD1-CG 4.07Å; L309-L313 HydrophobicContact CG-CD1 4.13Å; L309-L313 HydrophobicContact CG-CG 4.45Å; L309-L313 WeakPolarHBondContact O-CG 3.04Å; L309-L313 PolarHBondContact O-N 2.84Å; L309-L351 HydrophobicContact CD1-CB 4.29Å; L309-L351 HydrophobicContact CD1-CD2 4.18Å; L309-A355 HydrophobicContact CD2-CB 4.38Å; L309-T360 HydrophobicContact CD2-CG2 4.16Å
310I86.5Confident83.4Confident21 Ų2147.7 Ų47.711%0.10825%0.245CC..Hα-helixtrans-54.1-46178.1-71.9161.7000110.9L306 E307 S312 L313 R314 N364 F365L306-I310 HydrophobicContact CD1-CD1 4.18Å; L306-I310 HydrophobicContact CG-CD1 3.96Å; L306-I310 WeakPolarHBondContact O-CB 3.08Å; L306-I310 WeakPolarHBondContact O-CD1 3.07Å; L306-I310 VanDerWaalsContact O-CG1 3.24Å; L306-I310 WeakPolarHBondContact O-CG1 3.24Å; L306-I310 PolarHBondContact O-N 3.04Å; E307-I310 PolarHBondContact O-N 3.33Å; I310-S312 VanDerWaalsContact C-N 3.34Å; I310-S312 PolarHBondContact O-N 3.07Å; I310-L313 PolarHBondContact O-N 2.94Å; I310-R314 WeakPolarHBondContact O-CG 3.27Å; I310-R314 PolarHBondContact O-N 2.99Å; I310-N364 HydrophobicContact CD1-CB 3.44Å; I310-N364 VanDerWaalsContact CD1-CB 3.44Å; I310-N364 HydrophobicContact CG1-CB 4.39Å; I310-F365 HydrophobicContact CG2-CD2 3.97Å; I310-F365 HydrophobicContact CG2-CE2 4.22Å
311F88.1Confident84.5Confident33 Ų3347.3 Ų47.315%0.14524%0.236CC..Hα-helixtrans-58.1-46.9177.2-177.4-88.4000111.4Q274 L277 Q278 E307 L309 L313 R314 Q315Q274-F311 HydrophobicContact CB-CD1 4.22Å; Q274-F311 HydrophobicContact CB-CE1 3.6Å; Q274-F311 HydrophobicContact CB-CE2 4.12Å; Q274-F311 HydrophobicContact CB-CZ 3.53Å; Q274-F311 HydrophobicContact CG-CD1 3.77Å; Q274-F311 HydrophobicContact CG-CD2 4.07Å; Q274-F311 HydrophobicContact CG-CE1 3.68Å; Q274-F311 HydrophobicContact CG-CE2 3.98Å; Q274-F311 HydrophobicContact CG-CG 3.97Å; Q274-F311 HydrophobicContact CG-CZ 3.78Å; L277-F311 HydrophobicContact CB-CE1 4.36Å; L277-F311 HydrophobicContact CD1-CD1 4.07Å; L277-F311 HydrophobicContact CD1-CE1 4.21Å; Q278-F311 HydrophobicContact CG-CZ 4.2Å; E307-F311 WeakPolarHBondContact O-CB 3.49Å; E307-F311 PolarHBondContact O-N 3.36Å; L309-F311 VanDerWaalsContact C-N 3.27Å; L309-F311 PolarHBondContact O-N 3.18Å; F311-L313 VanDerWaalsContact C-N 3.34Å; F311-L313 PolarHBondContact O-N 3.37Å; F311-R314 PolarHBondContact O-N 3.46Å; F311-Q315 HydrophobicContact CD1-CG 3.98Å; F311-Q315 HydrophobicContact CE1-CG 3.56Å; F311-Q315 HydrophobicContact CE2-CG 4.36Å; F311-Q315 HydrophobicContact CZ-CG 3.78Å; F311-Q315 WeakPolarHBondContact O-CG 3.5Å; F311-Q315 PolarHBondContact O-N 3.38Å
312S91.2Very high85.9Confident0 Ų049.6 Ų49.60%024%0.241CC..Hα-helixtrans-61.2-41.2178.7-55.80000112.6F273 L277 L292 P308 L309 I310 Q315 S316F273-S312 VanDerWaalsContact CZ-OG 3.25Å; F273-S312 WeakPolarHBondContact CZ-OG 3.36Å; L277-S312 WeakPolarHBondContact CD1-OG 3.25Å; L292-S312 WeakPolarHBondContact CD2-OG 3.35Å; P308-S312 WeakPolarHBondContact O-CB 3.37Å; P308-S312 PolarHBondContact O-N 3.34Å; P308-S312 PolarHBondContact O-OG 3.24Å; L309-S312 WeakPolarHBondContact O-CB 3.23Å; L309-S312 PolarHBondContact O-N 3.43Å; I310-S312 VanDerWaalsContact C-N 3.34Å; I310-S312 PolarHBondContact O-N 3.07Å; S312-Q315 PolarHBondContact O-N 3.19Å; S312-S316 PolarHBondContact O-N 3.44Å; S312-S316 PolarHBondContact O-OG 3.11Å; S312-S316 VanDerWaalsContact O-OG 3.12Å
313L90.2Very high87Confident0 Ų047 Ų470%023%0.229CC..Hα-helixtrans-63.2-47.2176.3-60.8175.4000110.7L309 I310 F311 Q315 S316 L351 W352 A355 L361 F365L309-L313 HydrophobicContact CD1-CD1 4.13Å; L309-L313 HydrophobicContact CD1-CD2 4.24Å; L309-L313 HydrophobicContact CD1-CG 4.07Å; L309-L313 HydrophobicContact CG-CD1 4.13Å; L309-L313 HydrophobicContact CG-CG 4.45Å; L309-L313 WeakPolarHBondContact O-CG 3.04Å; L309-L313 PolarHBondContact O-N 2.84Å; I310-L313 PolarHBondContact O-N 2.94Å; F311-L313 VanDerWaalsContact C-N 3.34Å; F311-L313 PolarHBondContact O-N 3.37Å; L313-Q315 VanDerWaalsContact C-N 3.27Å; L313-Q315 PolarHBondContact O-N 3.17Å; L313-S316 VanDerWaalsContact O-CB 3.26Å; L313-S316 WeakPolarHBondContact O-CB 3.3Å; L313-S316 PolarHBondContact O-N 3.06Å; L313-S316 VanDerWaalsContact O-N 3.09Å; L313-S316 PolarHBondContact O-OG 3.25Å; L313-S316 VanDerWaalsContact O-OG 3.05Å; L313-L351 HydrophobicContact CD2-CB 4.2Å; L313-W352 HydrophobicContact CB-CH2 4.27Å; L313-W352 HydrophobicContact CB-CZ2 3.77Å; L313-W352 HydrophobicContact CD2-CB 4.35Å; L313-W352 VanDerWaalsContact CD2-CD1 3.49Å; L313-W352 HydrophobicContact CD2-CD2 3.7Å; L313-W352 HydrophobicContact CD2-CE3 4.39Å; L313-W352 HydrophobicContact CD2-CG 3.63Å; L313-W352 HydrophobicContact CD2-CZ2 4.42Å; L313-W352 WeakPolarHBondContact O-CZ2 3.46Å; L313-A355 HydrophobicContact CD1-CB 3.59Å; L313-L361 HydrophobicContact CD1-CD2 3.9Å; L313-F365 HydrophobicContact CB-CE2 3.95Å; L313-F365 HydrophobicContact CB-CZ 4.19Å
314R86.8Confident88Confident98 Ų9842.5 Ų42.537%0.3720%0.201SC..Hα-helixtrans-59.9-36175.9-67.2-175.1-176.91650.9112.7I310 F311 S316 P317 F365 W371I310-R314 WeakPolarHBondContact O-CG 3.27Å; I310-R314 PolarHBondContact O-N 2.99Å; F311-R314 PolarHBondContact O-N 3.46Å; R314-S316 VanDerWaalsContact C-N 3.29Å; R314-S316 PolarHBondContact O-N 3.37Å; R314-P317 WeakPolarHBondContact O-CD 3.4Å; R314-F365 HydrophobicContact CB-CE2 4.44Å; R314-F365 HydrophobicContact CG-CD2 4.36Å; R314-F365 HydrophobicContact CG-CE2 3.33Å; R314-F365 HydrophobicContact CG-CZ 3.64Å; R314-W371 HydrophobicContact CB-CE3 4.09Å; R314-W371 HydrophobicContact CB-CH2 4.26Å; R314-W371 HydrophobicContact CB-CZ3 3.95Å; R314-W371 HydrophobicContact CG-CD2 4.45Å; R314-W371 HydrophobicContact CG-CE3 4.48Å; R314-W371 HydrophobicContact CG-CH2 4.35Å; R314-W371 HydrophobicContact CG-CZ2 4.31Å; R314-W371 HydrophobicContact CG-CZ3 4.43Å; R314-W371 VanDerWaalsContact O-CZ3 3.28Å; R314-W371 WeakPolarHBondContact O-CZ3 3.32Å
315Q88.5Confident88.4Confident35 Ų3541.4 Ų41.416%0.16419%0.194CC..Hα-helixtrans-80.5-6.2-180-65.6-57.3-33.100113.7F311 S312 L313 F318 I319F311-Q315 HydrophobicContact CD1-CG 3.98Å; F311-Q315 HydrophobicContact CE1-CG 3.56Å; F311-Q315 HydrophobicContact CE2-CG 4.36Å; F311-Q315 HydrophobicContact CZ-CG 3.78Å; F311-Q315 WeakPolarHBondContact O-CG 3.5Å; F311-Q315 PolarHBondContact O-N 3.38Å; S312-Q315 PolarHBondContact O-N 3.19Å; L313-Q315 VanDerWaalsContact C-N 3.27Å; L313-Q315 PolarHBondContact O-N 3.17Å; Q315-F318 PolarHBondContact O-N 3.03Å; Q315-F318 VanDerWaalsContact O-N 3.09Å; Q315-I319 HydrophobicContact CB-CD1 3.86Å; Q315-I319 HydrophobicContact CB-CG1 4.21Å; Q315-I319 WeakPolarHBondContact O-CB 3.07Å; Q315-I319 VanDerWaalsContact O-CG1 3.27Å; Q315-I319 WeakPolarHBondContact O-CG1 3.33Å; Q315-I319 PolarHBondContact O-N 2.83Å
316S91Very high88.4Confident0 Ų043.4 Ų43.40%021%0.208CC..Hα-helixtrans-53.6-48.4-176.3-63.90000113.4S312 L313 R314 F318 I319 L320 W352S312-S316 PolarHBondContact O-N 3.44Å; S312-S316 PolarHBondContact O-OG 3.11Å; S312-S316 VanDerWaalsContact O-OG 3.12Å; L313-S316 VanDerWaalsContact O-CB 3.26Å; L313-S316 WeakPolarHBondContact O-CB 3.3Å; L313-S316 PolarHBondContact O-N 3.06Å; L313-S316 VanDerWaalsContact O-N 3.09Å; L313-S316 PolarHBondContact O-OG 3.25Å; L313-S316 VanDerWaalsContact O-OG 3.05Å; R314-S316 VanDerWaalsContact C-N 3.29Å; R314-S316 PolarHBondContact O-N 3.37Å; S316-F318 VanDerWaalsContact C-N 3.35Å; S316-F318 PolarHBondContact O-N 2.84Å; S316-I319 PolarHBondContact O-N 3.48Å; S316-L320 WeakPolarHBondContact O-CB 3.49Å; S316-L320 VanDerWaalsContact O-CG 3.29Å; S316-L320 WeakPolarHBondContact O-CG 3.47Å; S316-L320 PolarHBondContact O-N 3.41Å; S316-W352 PolarHBondContact OG-NE1 3.01Å
317P87.8Confident88.6Confident26 Ų2641.8 Ų41.817%0.16920%0.2CC..Hα-helixtrans-61.3-42.1176.6-20.430.8000113.5R314 K321 I370 W371R314-P317 WeakPolarHBondContact O-CD 3.4Å; P317-K321 WeakPolarHBondContact O-CB 3.46Å; P317-K321 PolarHBondContact O-N 3.3Å; P317-I370 WeakPolarHBondContact CG-O 3.24Å; P317-W371 VanDerWaalsContact CG-O 3.23Å; P317-W371 WeakPolarHBondContact CG-O 3.4Å
318F87.8Confident88.5Confident102 Ų10238.4 Ų38.445%0.44720%0.196SC..Hα-helixtrans-65.8-48.4-178.3175.9-95.1000110.9Q278 Q315 S316 L320 K321 R322Q278-F318 HydrophobicContact CB-CE1 4.33Å; Q278-F318 VanDerWaalsContact O-CE1 3.29Å; Q278-F318 WeakPolarHBondContact O-CE1 3.39Å; Q315-F318 PolarHBondContact O-N 3.03Å; Q315-F318 VanDerWaalsContact O-N 3.09Å; S316-F318 VanDerWaalsContact C-N 3.35Å; S316-F318 PolarHBondContact O-N 2.84Å; F318-L320 PolarHBondContact O-N 3.46Å; F318-K321 PolarHBondContact O-N 2.78Å; F318-R322 VanDerWaalsContact O-CB 3.31Å; F318-R322 WeakPolarHBondContact O-CB 3.4Å; F318-R322 PolarHBondContact O-N 3.01Å
319I91.3Very high87.8Confident1 Ų142.1 Ų42.11%0.00522%0.223CC..Hα-helixtrans-54.8-56.4175-66.5164.6000109.1L277 I285 Q315 S316 K321 R322 L323 I344 L348L277-I319 HydrophobicContact CB-CD1 4.25Å; L277-I319 HydrophobicContact CD2-CD1 4.35Å; I285-I319 HydrophobicContact CG2-CG2 4.03Å; Q315-I319 HydrophobicContact CB-CD1 3.86Å; Q315-I319 HydrophobicContact CB-CG1 4.21Å; Q315-I319 WeakPolarHBondContact O-CB 3.07Å; Q315-I319 VanDerWaalsContact O-CG1 3.27Å; Q315-I319 WeakPolarHBondContact O-CG1 3.33Å; Q315-I319 PolarHBondContact O-N 2.83Å; S316-I319 PolarHBondContact O-N 3.48Å; I319-K321 PolarHBondContact O-N 2.64Å; I319-R322 PolarHBondContact O-N 3.4Å; I319-L323 HydrophobicContact CG2-CD1 3.9Å; I319-L323 HydrophobicContact CG2-CG 4.31Å; I319-L323 VanDerWaalsContact O-CG 3.28Å; I319-L323 WeakPolarHBondContact O-CG 3.32Å; I319-L323 PolarHBondContact O-N 2.48Å; I319-I344 HydrophobicContact CG2-CG2 4.03Å; I319-L348 HydrophobicContact CG2-CD1 4.2Å
320L92.5Very high86.6Confident0 Ų044 Ų440%024%0.236CC..Hα-helixtrans-64.6-39.2-175-68.3180000113S316 F318 R324 Y341 Y345 L348 G374 F375S316-L320 WeakPolarHBondContact O-CB 3.49Å; S316-L320 VanDerWaalsContact O-CG 3.29Å; S316-L320 WeakPolarHBondContact O-CG 3.47Å; S316-L320 PolarHBondContact O-N 3.41Å; F318-L320 PolarHBondContact O-N 3.46Å; L320-R324 WeakPolarHBondContact O-CB 3.3Å; L320-R324 WeakPolarHBondContact O-CG 3.45Å; L320-R324 PolarHBondContact O-N 2.94Å; L320-R324 PolarHBondContact O-NE 3.38Å; L320-Y341 HydrophobicContact CD2-CE2 4.07Å; L320-Y345 HydrophobicContact CD1-CD2 3.79Å; L320-Y345 HydrophobicContact CD1-CE2 3.97Å; L320-Y345 HydrophobicContact CD2-CD2 3.72Å; L320-Y345 HydrophobicContact CD2-CG 4.45Å; L320-Y345 HydrophobicContact CG-CD2 4.39Å; L320-L348 HydrophobicContact CD1-CD1 4.25Å; L320-L348 HydrophobicContact CD2-CD1 3.83Å; L320-L348 HydrophobicContact CG-CD1 3.84Å; L320-G374 VanDerWaalsContact CD1-O 3.28Å; L320-G374 WeakPolarHBondContact CD1-O 3.26Å; L320-F375 HydrophobicContact CD1-CD1 3.69Å; L320-F375 HydrophobicContact CD1-CE1 3.7Å; L320-F375 HydrophobicContact CD1-CG 4.29Å; L320-F375 HydrophobicContact CD1-CZ 4.32Å
321K88.5Confident85.4Confident151 Ų15152 Ų5266%0.65728%0.278SS*.Hα-helixtrans-63.2-45.2175.8-174.5177.4-179.6179.80111.4P317 F318 I319 R324 S325P317-K321 WeakPolarHBondContact O-CB 3.46Å; P317-K321 PolarHBondContact O-N 3.3Å; F318-K321 PolarHBondContact O-N 2.78Å; I319-K321 PolarHBondContact O-N 2.64Å; K321-R324 PolarHBondContact O-N 3.49Å; K321-S325 PolarHBondContact O-N 2.96Å; K321-S325 PolarHBondContact O-OG 3.2Å
322R88.7Confident84.4Confident69 Ų6959.2 Ų59.226%0.2631%0.309SS..Hα-helixtrans-63.3-46.8178.7179.1-177.8166.2-144.2-8.1111.9Q278 T279 G280 F318 I319 R324 S325 C326Q278-R322 PolarHBondContact O-NH1 3.24Å; T279-R322 VanDerWaalsContact CA-NH1 3.31Å; T279-R322 PolarHBondContact O-NH1 2.74Å; T279-R322 PolarHBondContact O-NH2 3.43Å; G280-R322 VanDerWaalsContact O-CZ 3.28Å; G280-R322 PolarHBondContact O-NH1 3.47Å; G280-R322 PolarHBondContact O-NH2 3.05Å; F318-R322 VanDerWaalsContact O-CB 3.31Å; F318-R322 WeakPolarHBondContact O-CB 3.4Å; F318-R322 PolarHBondContact O-N 3.01Å; I319-R322 PolarHBondContact O-N 3.4Å; R322-R324 VanDerWaalsContact C-N 3.32Å; R322-R324 PolarHBondContact O-N 3.24Å; R322-S325 WeakPolarHBondContact CA-OG 3.37Å; R322-S325 PolarHBondContact O-N 3.23Å; R322-S325 PolarHBondContact O-OG 3.38Å; R322-C326 PolarHBondContact O-N 2.85Å; R322-C326 PolarHBondContact O-SG 2.9Å
323L90Very high83.3Confident1 Ų161.3 Ų61.31%0.00532%0.323CS..Hα-helixtrans-63.6-41.1179.5-61.2-178000111.2F282 I285 I319 C326 L327 Y341 I344F282-L323 HydrophobicContact CD1-CD1 4.41Å; F282-L323 HydrophobicContact CD1-CD2 3.78Å; F282-L323 HydrophobicContact CD1-CG 4.49Å; F282-L323 HydrophobicContact CD2-CD2 3.67Å; F282-L323 HydrophobicContact CE1-CB 3.88Å; F282-L323 HydrophobicContact CE1-CD1 4.37Å; F282-L323 HydrophobicContact CE1-CD2 3.66Å; F282-L323 HydrophobicContact CE1-CG 4.14Å; F282-L323 HydrophobicContact CE2-CD2 3.51Å; F282-L323 HydrophobicContact CG-CD2 3.79Å; F282-L323 HydrophobicContact CZ-CB 3.85Å; F282-L323 HydrophobicContact CZ-CD2 3.51Å; F282-L323 HydrophobicContact CZ-CG 4.21Å; I285-L323 HydrophobicContact CD1-CD2 4.07Å; I319-L323 HydrophobicContact CG2-CD1 3.9Å; I319-L323 HydrophobicContact CG2-CG 4.31Å; I319-L323 VanDerWaalsContact O-CG 3.28Å; I319-L323 WeakPolarHBondContact O-CG 3.32Å; I319-L323 PolarHBondContact O-N 2.48Å; L323-C326 PolarHBondContact O-N 2.71Å; L323-L327 WeakPolarHBondContact O-CG 3.35Å; L323-L327 PolarHBondContact O-N 3.5Å; L323-L327 VanDerWaalsContact O-N 3.1Å; L323-Y341 HydrophobicContact CB-CD2 3.83Å; L323-Y341 HydrophobicContact CB-CE2 4.36Å; L323-Y341 HydrophobicContact CD1-CD2 4.23Å; L323-I344 HydrophobicContact CD1-CB 4.19Å; L323-I344 HydrophobicContact CD1-CD1 3.64Å; L323-I344 HydrophobicContact CD1-CG2 3.79Å
324R89.6Confident82.8Confident47 Ų4765.5 Ų65.518%0.17735%0.345CS..Hα-helixtrans-59-47.8173.1-76.3-174.2-71.3-179.6-5.5112.1L320 K321 R322 C326 L327 A328 Y341 G374 T376 C377 M379L320-R324 WeakPolarHBondContact O-CB 3.3Å; L320-R324 WeakPolarHBondContact O-CG 3.45Å; L320-R324 PolarHBondContact O-N 2.94Å; L320-R324 PolarHBondContact O-NE 3.38Å; K321-R324 PolarHBondContact O-N 3.49Å; R322-R324 VanDerWaalsContact C-N 3.32Å; R322-R324 PolarHBondContact O-N 3.24Å; R324-C326 VanDerWaalsContact C-N 3.28Å; R324-C326 PolarHBondContact O-N 3.35Å; R324-L327 PolarHBondContact O-N 3.37Å; R324-L327 VanDerWaalsContact O-N 3.11Å; R324-A328 WeakPolarHBondContact O-CB 3.49Å; R324-A328 PolarHBondContact O-N 2.88Å; R324-Y341 HydrophobicContact CG-CE2 3.96Å; R324-G374 PolarHBondContact NH2-O 3.37Å; R324-T376 PolarHBondContact NH1-O 2.92Å; R324-C377 PolarHBondContact NH1-O 3.35Å; R324-M379 HydrophobicContact CB-CE 3.84Å; R324-M379 HydrophobicContact CB-SD 4.12Å; R324-M379 HydrophobicContact CG-CE 4.11Å; R324-M379 HydrophobicContact CG-CG 3.89Å; R324-M379 HydrophobicContact CG-SD 3.84Å; R324-M379 WeakPolarHBondContact O-CE 3.46Å
325S86.6Confident82.7Confident68 Ų6867.4 Ų67.448%0.47636%0.363SS..Hα-helixtrans-61.3-36.7178.157.70000112.7K321 R322 L327 A328 S329K321-S325 PolarHBondContact O-N 2.96Å; K321-S325 PolarHBondContact O-OG 3.2Å; R322-S325 WeakPolarHBondContact CA-OG 3.37Å; R322-S325 PolarHBondContact O-N 3.23Å; R322-S325 PolarHBondContact O-OG 3.38Å; S325-L327 VanDerWaalsContact C-N 3.32Å; S325-L327 PolarHBondContact O-N 3.31Å; S325-A328 PolarHBondContact O-N 3.33Å; S325-S329 WeakPolarHBondContact O-CB 3.4Å; S325-S329 PolarHBondContact O-N 3.37Å; S325-S329 VanDerWaalsContact O-N 3.07Å; S325-S329 PolarHBondContact O-OG 3.29Å
326C85.8Confident82.7Confident54 Ų5468.4 Ų68.437%0.36538%0.377SS..Hα-helixtrans-68.2-29176.2-68.60000113.5F282 R322 L323 R324 S329F282-C326 HydrophobicContact CE2-CB 3.87Å; F282-C326 HydrophobicContact CZ-CB 3.96Å; R322-C326 PolarHBondContact O-N 2.85Å; R322-C326 PolarHBondContact O-SG 2.9Å; L323-C326 PolarHBondContact O-N 2.71Å; R324-C326 VanDerWaalsContact C-N 3.28Å; R324-C326 PolarHBondContact O-N 3.35Å; C326-S329 PolarHBondContact O-OG 3.32Å
327L87.1Confident82.7Confident7 Ų770.9 Ų70.94%0.03739%0.39CS..Hα-helixtrans-82.3-37.4175.5-68.6175.9000111.7F282 L323 R324 S325 S330 P333 N337 V338 Y341 M379F282-L327 HydrophobicContact CE1-CD1 4.49Å; F282-L327 HydrophobicContact CE1-CD2 4.45Å; F282-L327 HydrophobicContact CE1-CG 4.36Å; F282-L327 HydrophobicContact CZ-CD2 4.41Å; F282-L327 HydrophobicContact CZ-CG 4.22Å; L323-L327 WeakPolarHBondContact O-CG 3.35Å; L323-L327 PolarHBondContact O-N 3.5Å; L323-L327 VanDerWaalsContact O-N 3.1Å; R324-L327 PolarHBondContact O-N 3.37Å; R324-L327 VanDerWaalsContact O-N 3.11Å; S325-L327 VanDerWaalsContact C-N 3.32Å; S325-L327 PolarHBondContact O-N 3.31Å; L327-S330 PolarHBondContact O-N 3.37Å; L327-S330 PolarHBondContact O-OG 3.49Å; L327-P333 HydrophobicContact CD2-CB 4.27Å; L327-N337 HydrophobicContact CD2-CB 3.74Å; L327-V338 HydrophobicContact CD2-CG2 3.97Å; L327-Y341 HydrophobicContact CD1-CD1 4.11Å; L327-Y341 HydrophobicContact CD1-CD2 4.36Å; L327-Y341 HydrophobicContact CD1-CG 3.83Å; L327-M379 HydrophobicContact CB-CE 4.23Å; L327-M379 HydrophobicContact CB-SD 3.87Å; L327-M379 HydrophobicContact CD1-SD 3.9Å
328A82.5Confident82.9Confident71 Ų7170 Ų7059%0.58738%0.384SS*.Hα-helixtrans-71-32179.900000113.3R324 S325 S330 M379R324-A328 WeakPolarHBondContact O-CB 3.49Å; R324-A328 PolarHBondContact O-N 2.88Å; S325-A328 PolarHBondContact O-N 3.33Å; A328-S330 PolarHBondContact O-N 3.19Å; A328-M379 HydrophobicContact CB-CE 3.96Å
329S75Confident83.2Confident100 Ų10067.5 Ų67.570%0.69938%0.379SS*.THydrogen-bonded Turntrans-71.2-12.7179.362.80000113.9S325 C326S325-S329 WeakPolarHBondContact O-CB 3.4Å; S325-S329 PolarHBondContact O-N 3.37Å; S325-S329 VanDerWaalsContact O-N 3.07Å; S325-S329 PolarHBondContact O-OG 3.29Å; C326-S329 PolarHBondContact O-OG 3.32Å
330S63.5Low83.4Confident41 Ų4168.6 Ų68.629%0.28739%0.385SS..SBendtrans-94.3123.3177.852.30000112.1L327 A328 K332 P333L327-S330 PolarHBondContact O-N 3.37Å; L327-S330 PolarHBondContact O-OG 3.49Å; A328-S330 PolarHBondContact O-N 3.19Å; S330-K332 PolarHBondContact O-N 3Å; S330-K332 VanDerWaalsContact O-N 3.07Å; S330-P333 WeakPolarHBondContact OG-CA 3.44Å
331L60.8Low83.5Confident188 Ų18868.6 Ų68.698%0.98439%0.385SS*.SBendtrans-50.8-31.2175.3-87.4145000113.6
332K66.4Low83.8Confident184 Ų18462.1 Ų62.180%0.836%0.357SS*.SBendtrans-133.2116.7164.2-75.2-177.7179.1176.70107.9S330 N334S330-K332 PolarHBondContact O-N 3Å; S330-K332 VanDerWaalsContact O-N 3.07Å; K332-N334 PolarHBondContact O-N 3.44Å
333P69.5Low84.2Confident45 Ų4564.3 Ų64.329%0.29237%0.368SS..  trans-61.1130.617823.3-30.8000110.3L327 S330 N335 V338 V382L327-P333 HydrophobicContact CD2-CB 4.27Å; S330-P333 WeakPolarHBondContact OG-CA 3.44Å; P333-N335 PolarHBondContact O-N 2.93Å; P333-N335 VanDerWaalsContact O-N 3.15Å; P333-V338 HydrophobicContact CB-CG2 3.77Å; P333-V338 HydrophobicContact CG-CG2 4.38Å; P333-V382 HydrophobicContact CG-CG1 4.48Å
334N80.2Confident84.5Confident88 Ų8864.2 Ų64.247%0.47137%0.368SS..  trans-62.6116.2177.2177.7-13.2000109.3K332 A336 N337 V338K332-N334 PolarHBondContact O-N 3.44Å; N334-A336 PolarHBondContact O-N 2.98Å; N334-A336 WeakPolarHBondContact OD1-CB 3.3Å; N334-A336 PolarHBondContact OD1-N 3.45Å; N334-N337 HydrophobicContact CB-CB 4.26Å; N334-N337 WeakPolarHBondContact O-CA 3.49Å; N334-N337 WeakPolarHBondContact O-CB 3.2Å; N334-N337 PolarHBondContact O-N 3.33Å; N334-V338 PolarHBondContact O-N 3.41Å
335N84.3Confident84.8Confident138 Ų13862 Ų6274%0.73836%0.359SS*.Hα-helixtrans-49.7-35.3-179.5-71.3-9000113.1P333 V338 C339P333-N335 PolarHBondContact O-N 2.93Å; P333-N335 VanDerWaalsContact O-N 3.15Å; N335-V338 PolarHBondContact O-N 2.95Å; N335-C339 PolarHBondContact O-N 3.4Å
336A88.9Confident85.3Confident56 Ų5659.3 Ų59.346%0.46334%0.34SS..Hα-helixtrans-66.6-40.8176.500000112.3N334 L340N334-A336 PolarHBondContact O-N 2.98Å; N334-A336 WeakPolarHBondContact OD1-CB 3.3Å; N334-A336 PolarHBondContact OD1-N 3.45Å; A336-L340 VanDerWaalsContact O-CG 3.27Å; A336-L340 WeakPolarHBondContact O-CG 3.31Å; A336-L340 PolarHBondContact O-N 3.33Å
337N91Very high85.8Confident51 Ų5157.2 Ų57.227%0.27333%0.325SS..Hα-helixtrans-71.7-34.5177.5-71.3-13.7000111.8F282 L327 N334 L340 Y341F282-N337 HydrophobicContact CD1-CB 4.29Å; F282-N337 WeakPolarHBondContact CD1-O 3.25Å; F282-N337 HydrophobicContact CE1-CB 4.16Å; F282-N337 HydrophobicContact CZ-CB 4.41Å; L327-N337 HydrophobicContact CD2-CB 3.74Å; N334-N337 HydrophobicContact CB-CB 4.26Å; N334-N337 WeakPolarHBondContact O-CA 3.49Å; N334-N337 WeakPolarHBondContact O-CB 3.2Å; N334-N337 PolarHBondContact O-N 3.33Å; N337-L340 PolarHBondContact O-N 3.09Å; N337-Y341 WeakPolarHBondContact O-CB 3.35Å; N337-Y341 PolarHBondContact O-N 3.06Å
338V91.8Very high86.2Confident8 Ų856.9 Ų56.95%0.04832%0.323CS..Hα-helixtrans-60.8-49.2172.9173.50000110.5L327 P333 N334 N335 L340 Y341 E342 V382L327-V338 HydrophobicContact CD2-CG2 3.97Å; P333-V338 HydrophobicContact CB-CG2 3.77Å; P333-V338 HydrophobicContact CG-CG2 4.38Å; N334-V338 PolarHBondContact O-N 3.41Å; N335-V338 PolarHBondContact O-N 2.95Å; V338-L340 VanDerWaalsContact C-N 3.28Å; V338-L340 PolarHBondContact O-N 3.3Å; V338-Y341 WeakPolarHBondContact O-CB 3.44Å; V338-Y341 PolarHBondContact O-N 2.82Å; V338-Y341 VanDerWaalsContact O-N 3.09Å; V338-E342 WeakPolarHBondContact CG1-OE1 3.2Å; V338-E342 WeakPolarHBondContact O-CG 3.35Å; V338-E342 PolarHBondContact O-N 3.36Å; V338-V382 HydrophobicContact CG1-CB 4.33Å; V338-V382 HydrophobicContact CG1-CG2 3.95Å; V338-V382 VanDerWaalsContact CG1-O 3.28Å; V338-V382 WeakPolarHBondContact CG1-O 3.45Å; V338-V382 HydrophobicContact CG2-CG2 4.3Å
339C93.6Very high86.8Confident49 Ų4953.5 Ų53.533%0.33130%0.295SS..Hα-helixtrans-60-37.5175.7-176.70000112.4N335 K343N335-C339 PolarHBondContact O-N 3.4Å; C339-K343 WeakPolarHBondContact O-CG 3.46Å; C339-K343 PolarHBondContact O-N 3.47Å
340L94.7Very high87.7Confident24 Ų2450.1 Ų50.113%0.12627%0.268CS..Hα-helixtrans-68.1-40.1174.7-68.9169.4000112F282 K283 L286 A336 N337 V338 K343 I344F282-L340 HydrophobicContact CB-CB 3.88Å; F282-L340 HydrophobicContact CB-CD1 3.61Å; F282-L340 HydrophobicContact CB-CG 4.35Å; F282-L340 HydrophobicContact CD1-CB 3.94Å; F282-L340 HydrophobicContact CG-CB 4.39Å; K283-L340 HydrophobicContact CG-CD1 3.68Å; K283-L340 HydrophobicContact CG-CD2 4.39Å; L286-L340 HydrophobicContact CD2-CD2 3.46Å; L286-L340 VanDerWaalsContact CD2-CD2 3.46Å; A336-L340 VanDerWaalsContact O-CG 3.27Å; A336-L340 WeakPolarHBondContact O-CG 3.31Å; A336-L340 PolarHBondContact O-N 3.33Å; N337-L340 PolarHBondContact O-N 3.09Å; V338-L340 VanDerWaalsContact C-N 3.28Å; V338-L340 PolarHBondContact O-N 3.3Å; L340-K343 PolarHBondContact O-N 2.91Å; L340-I344 WeakPolarHBondContact O-CB 3.28Å; L340-I344 WeakPolarHBondContact O-CD1 3.31Å; L340-I344 WeakPolarHBondContact O-CG1 3.44Å; L340-I344 PolarHBondContact O-N 3.21Å
341Y94.9Very high89.1Confident1 Ų148.1 Ų48.10%0.00426%0.255CS..Hα-helixtrans-60.9-46.6175.2171.7-105.3000111.9L320 L323 R324 L327 N337 V338 K343 I344 Y345 M379 M383L320-Y341 HydrophobicContact CD2-CE2 4.07Å; L323-Y341 HydrophobicContact CB-CD2 3.83Å; L323-Y341 HydrophobicContact CB-CE2 4.36Å; L323-Y341 HydrophobicContact CD1-CD2 4.23Å; R324-Y341 HydrophobicContact CG-CE2 3.96Å; L327-Y341 HydrophobicContact CD1-CD1 4.11Å; L327-Y341 HydrophobicContact CD1-CD2 4.36Å; L327-Y341 HydrophobicContact CD1-CG 3.83Å; N337-Y341 WeakPolarHBondContact O-CB 3.35Å; N337-Y341 PolarHBondContact O-N 3.06Å; V338-Y341 WeakPolarHBondContact O-CB 3.44Å; V338-Y341 PolarHBondContact O-N 2.82Å; V338-Y341 VanDerWaalsContact O-N 3.09Å; Y341-K343 VanDerWaalsContact C-N 3.31Å; Y341-K343 PolarHBondContact O-N 2.93Å; Y341-I344 PolarHBondContact O-N 3.39Å; Y341-Y345 WeakPolarHBondContact O-CB 3.32Å; Y341-Y345 PolarHBondContact O-N 3.12Å; Y341-M379 HydrophobicContact CE1-CB 3.9Å; Y341-M379 HydrophobicContact CE1-CG 4.48Å; Y341-M379 PolarHBondContact OH-N 2.9Å; Y341-M383 HydrophobicContact CD1-CE 4.01Å; Y341-M383 HydrophobicContact CE1-CE 3.46Å; Y341-M383 VanDerWaalsContact CE1-CE 3.46Å
342E95.2Very high90.6Very high14 Ų1439.3 Ų39.37%0.06521%0.208CC..Hα-helixtrans-52-50175-72.3165.8-152.400111.6V338 T346 M383 S384V338-E342 WeakPolarHBondContact CG1-OE1 3.2Å; V338-E342 WeakPolarHBondContact O-CG 3.35Å; V338-E342 PolarHBondContact O-N 3.36Å; E342-T346 WeakPolarHBondContact O-CB 3.43Å; E342-T346 PolarHBondContact O-N 3.38Å; E342-T346 PolarHBondContact O-OG1 3.3Å; E342-M383 HydrophobicContact CG-CB 3.81Å; E342-M383 HydrophobicContact CG-CG 3.58Å; E342-M383 HydrophobicContact CG-SD 4.04Å; E342-M383 WeakPolarHBondContact OE1-CA 3.42Å; E342-S384 PolarHBondContact OE1-N 2.97Å; E342-S384 PolarHBondContact OE2-OG 3.39Å
343K96.6Very high91.7Very high115 Ų11530.9 Ų30.950%0.517%0.172SC..Hα-helixtrans-65-42.9179.9-70.1176.8-179.4-179.40111.8L286 C339 L340 Y341 L347L286-K343 HydrophobicContact CD1-CB 3.74Å; L286-K343 HydrophobicContact CD2-CB 4.1Å; L286-K343 HydrophobicContact CD2-CD 4Å; C339-K343 WeakPolarHBondContact O-CG 3.46Å; C339-K343 PolarHBondContact O-N 3.47Å; L340-K343 PolarHBondContact O-N 2.91Å; Y341-K343 VanDerWaalsContact C-N 3.31Å; Y341-K343 PolarHBondContact O-N 2.93Å; K343-L347 WeakPolarHBondContact O-CB 3.45Å; K343-L347 PolarHBondContact O-N 3.44Å
344I96.6Very high92.5Very high0 Ų030.7 Ų30.70%017%0.167CC..Hα-helixtrans-65.8-47178.8-68.7163.5000110.8F282 I285 L286 L289 I319 L323 L340 Y341 T346 L347 L348F282-I344 HydrophobicContact CB-CD1 4.49Å; F282-I344 HydrophobicContact CD1-CD1 4.49Å; F282-I344 WeakPolarHBondContact O-CD1 3.34Å; I285-I344 HydrophobicContact CB-CD1 4.19Å; I285-I344 HydrophobicContact CG2-CD1 3.98Å; I285-I344 HydrophobicContact CG2-CG1 4.28Å; I285-I344 HydrophobicContact CG2-CG2 4.11Å; L286-I344 HydrophobicContact CB-CD1 4.16Å; L286-I344 HydrophobicContact CB-CG1 3.82Å; L286-I344 HydrophobicContact CD1-CG1 4.04Å; L286-I344 HydrophobicContact CG-CG1 4.49Å; L289-I344 HydrophobicContact CD1-CG2 3.94Å; I319-I344 HydrophobicContact CG2-CG2 4.03Å; L323-I344 HydrophobicContact CD1-CB 4.19Å; L323-I344 HydrophobicContact CD1-CD1 3.64Å; L323-I344 HydrophobicContact CD1-CG2 3.79Å; L340-I344 WeakPolarHBondContact O-CB 3.28Å; L340-I344 WeakPolarHBondContact O-CD1 3.31Å; L340-I344 WeakPolarHBondContact O-CG1 3.44Å; L340-I344 PolarHBondContact O-N 3.21Å; Y341-I344 PolarHBondContact O-N 3.39Å; I344-T346 PolarHBondContact O-N 3.2Å; I344-L347 PolarHBondContact O-N 3.31Å; I344-L348 HydrophobicContact CG2-CD1 4.02Å; I344-L348 HydrophobicContact CG2-CG 4.37Å; I344-L348 WeakPolarHBondContact O-CG 3.21Å; I344-L348 PolarHBondContact O-N 2.85Å
345Y96.4Very high92.8Very high1 Ų126.5 Ų26.50%0.00414%0.144CC..Hα-helixtrans-58.4-50.2179.1-176.9-92000111.1L320 Y341 L347 L348 L349 F375 P378 Y380 M383 A391L320-Y345 HydrophobicContact CD1-CD2 3.79Å; L320-Y345 HydrophobicContact CD1-CE2 3.97Å; L320-Y345 HydrophobicContact CD2-CD2 3.72Å; L320-Y345 HydrophobicContact CD2-CG 4.45Å; L320-Y345 HydrophobicContact CG-CD2 4.39Å; Y341-Y345 WeakPolarHBondContact O-CB 3.32Å; Y341-Y345 PolarHBondContact O-N 3.12Å; Y345-L347 VanDerWaalsContact C-N 3.33Å; Y345-L347 PolarHBondContact O-N 3.03Å; Y345-L348 PolarHBondContact O-N 3.31Å; Y345-L349 HydrophobicContact CD1-CD1 3.78Å; Y345-L349 HydrophobicContact CD1-CG 4.47Å; Y345-L349 HydrophobicContact CE1-CD1 3.36Å; Y345-L349 HydrophobicContact CE1-CG 4.17Å; Y345-L349 PolarHBondContact O-N 2.97Å; Y345-F375 HydrophobicContact CD2-CD1 4.34Å; Y345-F375 AromaticContact CE2-CD1 3.73Å; Y345-F375 HydrophobicContact CE2-CD1 3.73Å; Y345-F375 AromaticContact CZ-CD1 3.95Å; Y345-F375 PolarHBondContact OH-O 3.42Å; Y345-P378 HydrophobicContact CD2-CB 4.48Å; Y345-P378 HydrophobicContact CE1-CB 4.34Å; Y345-P378 HydrophobicContact CE2-CB 3.73Å; Y345-Y380 HydrophobicContact CE1-CE1 4.45Å; Y345-M383 HydrophobicContact CD1-CE 4.25Å; Y345-M383 HydrophobicContact CG-CE 4.34Å; Y345-A391 HydrophobicContact CD1-CB 3.88Å; Y345-A391 HydrophobicContact CE1-CB 4.02Å
346T96.1Very high92.7Very high10 Ų1020 Ų206%0.06111%0.11CC..Hα-helixtrans-62.2-41.1178.3-53.90000111.7E342 I344 L349 Q350 D390 W394E342-T346 WeakPolarHBondContact O-CB 3.43Å; E342-T346 PolarHBondContact O-N 3.38Å; E342-T346 PolarHBondContact O-OG1 3.3Å; I344-T346 PolarHBondContact O-N 3.2Å; T346-L349 WeakPolarHBondContact O-CB 3.06Å; T346-L349 PolarHBondContact O-N 2.93Å; T346-Q350 VanDerWaalsContact O-CG 3.26Å; T346-Q350 WeakPolarHBondContact O-CG 3.21Å; T346-Q350 PolarHBondContact O-N 3.4Å; T346-D390 HydrophobicContact CG2-CB 4.13Å; T346-W394 HydrophobicContact CG2-CB 4.44Å; T346-W394 HydrophobicContact CG2-CG 4.07Å
347L96.2Very high92.3Very high11 Ų1119.4 Ų19.46%0.05810%0.098CC..Hα-helixtrans-67.7-37.6179.1-176.857.1000112.6L286 L289 K293 K343 I344 Y345 Q350 L351L286-L347 HydrophobicContact CD1-CD2 4Å; L289-L347 HydrophobicContact CB-CD2 3.41Å; L289-L347 VanDerWaalsContact CB-CD2 3.41Å; L289-L347 HydrophobicContact CB-CG 4Å; K293-L347 HydrophobicContact CB-CD1 3.91Å; K293-L347 HydrophobicContact CD-CD1 3.35Å; K293-L347 HydrophobicContact CG-CD1 4.21Å; K343-L347 WeakPolarHBondContact O-CB 3.45Å; K343-L347 PolarHBondContact O-N 3.44Å; I344-L347 PolarHBondContact O-N 3.31Å; Y345-L347 VanDerWaalsContact C-N 3.33Å; Y345-L347 PolarHBondContact O-N 3.03Å; L347-Q350 WeakPolarHBondContact O-CB 3.45Å; L347-Q350 PolarHBondContact O-N 3.12Å; L347-L351 WeakPolarHBondContact O-CG 3.46Å; L347-L351 PolarHBondContact O-N 3.47Å
348L95.7Very high91.6Very high0 Ų020.4 Ų20.40%010%0.103CC..Hα-helixtrans-63.6-45.3172.3-71.5173.8000110.8L289 I319 L320 I344 Y345 Q350 L351 W352 F375L289-L348 HydrophobicContact CD1-CD2 3.7Å; L289-L348 HydrophobicContact CD1-CG 3.96Å; L289-L348 HydrophobicContact CD2-CD2 3.94Å; L289-L348 HydrophobicContact CG-CD2 4.49Å; I319-L348 HydrophobicContact CG2-CD1 4.2Å; L320-L348 HydrophobicContact CD1-CD1 4.25Å; L320-L348 HydrophobicContact CD2-CD1 3.83Å; L320-L348 HydrophobicContact CG-CD1 3.84Å; I344-L348 HydrophobicContact CG2-CD1 4.02Å; I344-L348 HydrophobicContact CG2-CG 4.37Å; I344-L348 WeakPolarHBondContact O-CG 3.21Å; I344-L348 PolarHBondContact O-N 2.85Å; Y345-L348 PolarHBondContact O-N 3.31Å; L348-Q350 VanDerWaalsContact C-N 3.27Å; L348-Q350 PolarHBondContact O-N 3.42Å; L348-L351 PolarHBondContact O-N 3.44Å; L348-L351 VanDerWaalsContact O-N 3.15Å; L348-W352 VanDerWaalsContact O-CD1 3.25Å; L348-W352 PolarHBondContact O-N 2.87Å; L348-F375 HydrophobicContact CB-CE1 3.91Å; L348-F375 HydrophobicContact CB-CZ 3.93Å
349L95Very high90.7Very high0 Ų021.7 Ų21.70%011%0.108CC..Hα-helixtrans-57.8-39.8174-74.9171.1000112.3Y345 T346 W352 F353 F375 A391 W394 T395 F398 M420Y345-L349 HydrophobicContact CD1-CD1 3.78Å; Y345-L349 HydrophobicContact CD1-CG 4.47Å; Y345-L349 HydrophobicContact CE1-CD1 3.36Å; Y345-L349 HydrophobicContact CE1-CG 4.17Å; Y345-L349 PolarHBondContact O-N 2.97Å; T346-L349 WeakPolarHBondContact O-CB 3.06Å; T346-L349 PolarHBondContact O-N 2.93Å; L349-W352 PolarHBondContact O-N 3.4Å; L349-F353 VanDerWaalsContact O-CB 3.28Å; L349-F353 WeakPolarHBondContact O-CB 3.47Å; L349-F353 PolarHBondContact O-N 3.18Å; L349-F375 HydrophobicContact CD2-CD1 3.58Å; L349-F375 HydrophobicContact CD2-CE1 3.74Å; L349-F375 HydrophobicContact CD2-CG 4.15Å; L349-F375 HydrophobicContact CD2-CZ 4.41Å; L349-F375 HydrophobicContact CG-CD1 3.94Å; L349-F375 HydrophobicContact CG-CE1 3.81Å; L349-A391 WeakPolarHBondContact CD1-O 3.39Å; L349-W394 HydrophobicContact CB-CB 3.95Å; L349-W394 HydrophobicContact CD1-CB 4.08Å; L349-T395 WeakPolarHBondContact CD1-OG1 3.44Å; L349-F398 HydrophobicContact CD2-CB 4.23Å; L349-F398 HydrophobicContact CD2-CD1 3.89Å; L349-F398 HydrophobicContact CD2-CG 4.26Å; L349-M420 HydrophobicContact CD2-CE 4.38Å
350Q94.6Very high89.8Confident28 Ų2819.9 Ų19.913%0.13110%0.095CC..Hα-helixtrans-64-42.2175.8-72.9167.27.900112.4T346 L347 L348 F353 Q354 W394T346-Q350 VanDerWaalsContact O-CG 3.26Å; T346-Q350 WeakPolarHBondContact O-CG 3.21Å; T346-Q350 PolarHBondContact O-N 3.4Å; L347-Q350 WeakPolarHBondContact O-CB 3.45Å; L347-Q350 PolarHBondContact O-N 3.12Å; L348-Q350 VanDerWaalsContact C-N 3.27Å; L348-Q350 PolarHBondContact O-N 3.42Å; Q350-F353 PolarHBondContact O-N 3.27Å; Q350-Q354 WeakPolarHBondContact O-CB 3.39Å; Q350-Q354 PolarHBondContact O-N 2.87Å; Q350-W394 HydrophobicContact CB-CE3 4.45Å; Q350-W394 HydrophobicContact CG-CD2 3.38Å; Q350-W394 HydrophobicContact CG-CE3 3.65Å; Q350-W394 HydrophobicContact CG-CG 3.91Å; Q350-W394 HydrophobicContact CG-CH2 3.91Å; Q350-W394 HydrophobicContact CG-CZ2 3.68Å; Q350-W394 HydrophobicContact CG-CZ3 3.9Å; Q350-W394 VanDerWaalsContact NE2-CE2 3.28Å
351L92.9Very high88.7Confident0 Ų018.9 Ų18.90%09%0.09CC..Hα-helixtrans-66-40.2176.2-70.4172.7000111.5L289 L292 K293 L296 L309 L313 L347 L348 Q354 A355L289-L351 HydrophobicContact CD2-CD1 3.95Å; L292-L351 HydrophobicContact CD2-CD1 4.11Å; L292-L351 HydrophobicContact CD2-CD2 4.4Å; L292-L351 HydrophobicContact CG-CD2 4.5Å; K293-L351 HydrophobicContact CB-CD2 4.04Å; K293-L351 HydrophobicContact CG-CD2 4.48Å; L296-L351 HydrophobicContact CD1-CD2 3.8Å; L309-L351 HydrophobicContact CD1-CB 4.29Å; L309-L351 HydrophobicContact CD1-CD2 4.18Å; L313-L351 HydrophobicContact CD2-CB 4.2Å; L347-L351 WeakPolarHBondContact O-CG 3.46Å; L347-L351 PolarHBondContact O-N 3.47Å; L348-L351 PolarHBondContact O-N 3.44Å; L348-L351 VanDerWaalsContact O-N 3.15Å; L351-Q354 PolarHBondContact O-N 3.29Å; L351-A355 VanDerWaalsContact O-CB 3.26Å; L351-A355 WeakPolarHBondContact O-CB 3.39Å; L351-A355 PolarHBondContact O-N 3.15Å
352W91.4Very high87.4Confident3 Ų319.1 Ų19.11%0.0119%0.091CC..Hα-helixtrans-64.9-44.5174.4-87.793.8000112.4L313 S316 L348 L349 A355 A356 L361 F365 W371 L372 F375 F398L313-W352 HydrophobicContact CB-CH2 4.27Å; L313-W352 HydrophobicContact CB-CZ2 3.77Å; L313-W352 HydrophobicContact CD2-CB 4.35Å; L313-W352 VanDerWaalsContact CD2-CD1 3.49Å; L313-W352 HydrophobicContact CD2-CD2 3.7Å; L313-W352 HydrophobicContact CD2-CE3 4.39Å; L313-W352 HydrophobicContact CD2-CG 3.63Å; L313-W352 HydrophobicContact CD2-CZ2 4.42Å; L313-W352 WeakPolarHBondContact O-CZ2 3.46Å; S316-W352 PolarHBondContact OG-NE1 3.01Å; L348-W352 VanDerWaalsContact O-CD1 3.25Å; L348-W352 PolarHBondContact O-N 2.87Å; L349-W352 PolarHBondContact O-N 3.4Å; W352-A355 PolarHBondContact O-N 3.23Å; W352-A356 WeakPolarHBondContact O-CB 3.49Å; W352-A356 PolarHBondContact O-N 3.42Å; W352-L361 HydrophobicContact CE3-CD1 4.14Å; W352-L361 HydrophobicContact CE3-CD2 4.13Å; W352-L361 HydrophobicContact CZ3-CD1 4.11Å; W352-L361 HydrophobicContact CZ3-CD2 3.73Å; W352-F365 HydrophobicContact CH2-CD1 4.5Å; W352-F365 AromaticContact CH2-CE1 3.64Å; W352-F365 HydrophobicContact CH2-CE1 3.64Å; W352-F365 AromaticContact CH2-CZ 3.83Å; W352-F365 HydrophobicContact CH2-CZ 3.83Å; W352-F365 HydrophobicContact CZ2-CZ 4.32Å; W352-F365 HydrophobicContact CZ3-CE1 4.34Å; W352-W371 HydrophobicContact CH2-CB 3.83Å; W352-W371 HydrophobicContact CZ2-CB 3.92Å; W352-L372 HydrophobicContact CD2-CD2 4.13Å; W352-L372 HydrophobicContact CE3-CD2 3.78Å; W352-L372 HydrophobicContact CH2-CD2 3.57Å; W352-L372 HydrophobicContact CH2-CG 4.48Å; W352-L372 HydrophobicContact CZ2-CD2 3.95Å; W352-L372 HydrophobicContact CZ3-CD2 3.5Å; W352-L372 VanDerWaalsContact CZ3-CD2 3.5Å; W352-F375 AromaticContact CD1-CE2 3.47Å; W352-F375 VanDerWaalsContact CD1-CE2 3.47Å; W352-F375 AromaticContact CD1-CZ 3.31Å; W352-F375 HydrophobicContact CD2-CE2 4.34Å; W352-F375 AromaticContact CE2-CE2 3.96Å; W352-F375 HydrophobicContact CG-CE2 4.04Å; W352-F375 HydrophobicContact CG-CZ 4.14Å; W352-F375 AromaticContact NE1-CE2 3.39Å; W352-F375 AromaticContact NE1-CZ 3.55Å; W352-F398 HydrophobicContact CB-CD2 3.7Å; W352-F398 HydrophobicContact CB-CE2 3.76Å; W352-F398 HydrophobicContact CB-CG 4.38Å; W352-F398 HydrophobicContact CB-CZ 4.48Å; W352-F398 HydrophobicContact CD2-CE2 4.37Å; W352-F398 AromaticContact CE3-CE2 3.99Å; W352-F398 HydrophobicContact CE3-CE2 3.99Å; W352-F398 HydrophobicContact CE3-CZ 4.32Å; W352-F398 HydrophobicContact CG-CE2 4.34Å
353F90.2Very high85.8Confident6 Ų623.9 Ų23.93%0.02611%0.112CC..Hα-helixtrans-58.5-49.4173.3171.5-96.6000111.1V253 V255 L349 Q350 A355 A356 M357 W394 R397 F398 A401V253-F353 HydrophobicContact CB-CZ 4.13Å; V255-F353 HydrophobicContact CG2-CE1 3.86Å; L349-F353 VanDerWaalsContact O-CB 3.28Å; L349-F353 WeakPolarHBondContact O-CB 3.47Å; L349-F353 PolarHBondContact O-N 3.18Å; Q350-F353 PolarHBondContact O-N 3.27Å; F353-A355 PolarHBondContact O-N 3.31Å; F353-A356 WeakPolarHBondContact O-CB 3.35Å; F353-A356 PolarHBondContact O-N 3.24Å; F353-M357 HydrophobicContact CD1-CG 4.17Å; F353-M357 HydrophobicContact CD2-CG 4.23Å; F353-M357 HydrophobicContact CE1-CG 3.72Å; F353-M357 HydrophobicContact CE2-CG 3.79Å; F353-M357 HydrophobicContact CE2-SD 3.96Å; F353-M357 HydrophobicContact CG-CG 4.43Å; F353-M357 HydrophobicContact CZ-CG 3.51Å; F353-M357 HydrophobicContact CZ-SD 3.99Å; F353-M357 VanDerWaalsContact O-CG 3.32Å; F353-M357 WeakPolarHBondContact O-CG 3.28Å; F353-M357 PolarHBondContact O-N 2.97Å; F353-W394 HydrophobicContact CB-CE3 4.38Å; F353-W394 HydrophobicContact CB-CZ3 4.29Å; F353-W394 HydrophobicContact CD1-CE3 4.45Å; F353-W394 HydrophobicContact CD1-CH2 4.46Å; F353-W394 AromaticContact CD1-CZ3 3.6Å; F353-W394 HydrophobicContact CD1-CZ3 3.6Å; F353-W394 HydrophobicContact CE1-CZ3 4.08Å; F353-W394 HydrophobicContact CG-CE3 4.38Å; F353-W394 AromaticContact CG-CZ3 3.95Å; F353-W394 HydrophobicContact CG-CZ3 3.95Å; F353-R397 HydrophobicContact CD2-CB 3.87Å; F353-R397 WeakPolarHBondContact CD2-O 3.28Å; F353-R397 HydrophobicContact CE2-CB 3.95Å; F353-F398 HydrophobicContact CB-CB 4.38Å; F353-A401 HydrophobicContact CD2-CB 3.68Å; F353-A401 HydrophobicContact CE2-CB 3.82Å
354Q87.2Confident84Confident41 Ų4121.8 Ų21.819%0.19211%0.106CC..Hα-helixtrans-61-44.5177.7-177.9175.2-7.800111.4Q350 L351 A356 M357 D358Q350-Q354 WeakPolarHBondContact O-CB 3.39Å; Q350-Q354 PolarHBondContact O-N 2.87Å; L351-Q354 PolarHBondContact O-N 3.29Å; Q354-A356 VanDerWaalsContact C-N 3.28Å; Q354-A356 PolarHBondContact O-N 3.42Å; Q354-M357 PolarHBondContact O-N 3.33Å; Q354-D358 WeakPolarHBondContact CG-OD2 3.09Å; Q354-D358 PolarHBondContact NE2-OD2 2.93Å; Q354-D358 VanDerWaalsContact O-CB 3.28Å; Q354-D358 WeakPolarHBondContact O-CB 3.45Å; Q354-D358 VanDerWaalsContact O-CG 3.31Å; Q354-D358 PolarHBondContact O-N 3.31Å
355A85.5Confident82.4Confident0 Ų022.5 Ų22.50%011%0.109CC..Hα-helixtrans-63.9-32.5178.400000113.2L309 L313 L351 W352 F353 R359 T360 L361L309-A355 HydrophobicContact CD2-CB 4.38Å; L313-A355 HydrophobicContact CD1-CB 3.59Å; L351-A355 VanDerWaalsContact O-CB 3.26Å; L351-A355 WeakPolarHBondContact O-CB 3.39Å; L351-A355 PolarHBondContact O-N 3.15Å; W352-A355 PolarHBondContact O-N 3.23Å; F353-A355 PolarHBondContact O-N 3.31Å; A355-R359 PolarHBondContact O-N 3.44Å; A355-T360 PolarHBondContact O-N 2.85Å; A355-L361 HydrophobicContact CB-CD2 4.1Å; A355-L361 HydrophobicContact CB-CG 4.14Å; A355-L361 PolarHBondContact O-N 3.03Å
356A82.4Confident80.4Confident2 Ų226.7 Ų26.72%0.01714%0.136CC..Hα-helixtrans-68.2-52.7170.500000110.6W352 F353 Q354 D358 R359 L361 A401 M405W352-A356 WeakPolarHBondContact O-CB 3.49Å; W352-A356 PolarHBondContact O-N 3.42Å; F353-A356 WeakPolarHBondContact O-CB 3.35Å; F353-A356 PolarHBondContact O-N 3.24Å; Q354-A356 VanDerWaalsContact C-N 3.28Å; Q354-A356 PolarHBondContact O-N 3.42Å; A356-D358 VanDerWaalsContact C-N 3.32Å; A356-D358 PolarHBondContact O-N 3.28Å; A356-R359 WeakPolarHBondContact O-CA 3.28Å; A356-R359 PolarHBondContact O-N 3.03Å; A356-L361 HydrophobicContact CB-CD1 4.02Å; A356-A401 HydrophobicContact CB-CB 3.95Å; A356-M405 WeakPolarHBondContact CA-SD 3.4Å; A356-M405 HydrophobicContact CB-SD 3.73Å
357M79.6Confident78.7Confident43 Ų4329.6 Ų29.621%0.21215%0.149CC..Hα-helixtrans-58.7-41.2179.4-67.5-52.5-52.600113.2V250 P252 F353 Q354 R359 A401V250-M357 HydrophobicContact CG1-CE 4.46Å; P252-M357 VanDerWaalsContact CA-CE 3.46Å; P252-M357 HydrophobicContact CB-CE 4.08Å; F353-M357 HydrophobicContact CD1-CG 4.17Å; F353-M357 HydrophobicContact CD2-CG 4.23Å; F353-M357 HydrophobicContact CE1-CG 3.72Å; F353-M357 HydrophobicContact CE2-CG 3.79Å; F353-M357 HydrophobicContact CE2-SD 3.96Å; F353-M357 HydrophobicContact CG-CG 4.43Å; F353-M357 HydrophobicContact CZ-CG 3.51Å; F353-M357 HydrophobicContact CZ-SD 3.99Å; F353-M357 VanDerWaalsContact O-CG 3.32Å; F353-M357 WeakPolarHBondContact O-CG 3.28Å; F353-M357 PolarHBondContact O-N 2.97Å; Q354-M357 PolarHBondContact O-N 3.33Å; M357-R359 PolarHBondContact O-N 3.29Å; M357-A401 HydrophobicContact CG-CB 4.43Å; M357-A401 HydrophobicContact SD-CB 3.83Å
358D76.9Confident76.8Confident72 Ų7230.6 Ų30.639%0.38516%0.157SC..THydrogen-bonded Turntrans-78.6-0.2177.5-66.8-3.9000112.4H302 Q354 A356 T360H302-D358 IonicContact CE1-OD2 3.92Å; H302-D358 IonicContact NE2-OD2 3.03Å; H302-D358 PolarHBondContact NE2-OD2 2.94Å; Q354-D358 WeakPolarHBondContact CG-OD2 3.09Å; Q354-D358 PolarHBondContact NE2-OD2 2.93Å; Q354-D358 VanDerWaalsContact O-CB 3.28Å; Q354-D358 WeakPolarHBondContact O-CB 3.45Å; Q354-D358 VanDerWaalsContact O-CG 3.31Å; Q354-D358 PolarHBondContact O-N 3.31Å; A356-D358 VanDerWaalsContact C-N 3.32Å; A356-D358 PolarHBondContact O-N 3.28Å; D358-T360 PolarHBondContact O-N 3.29Å
359R73.1Confident75.4Confident36 Ų3636.3 Ų36.314%0.13618%0.18CC..THydrogen-bonded Turntrans52.624-177.2-61.1-165.6-179.3-156.45.3115.1S101 Q159 A355 A356 M357 L361 L362 M405S101-R359 PolarHBondContact OG-NH1 2.94Å; Q159-R359 VanDerWaalsContact CB-NH1 3.3Å; Q159-R359 WeakPolarHBondContact O-CD 3Å; Q159-R359 PolarHBondContact O-NE 2.92Å; Q159-R359 PolarHBondContact O-NH1 3.37Å; Q159-R359 VanDerWaalsContact OE1-CZ 3.26Å; A355-R359 PolarHBondContact O-N 3.44Å; A356-R359 WeakPolarHBondContact O-CA 3.28Å; A356-R359 PolarHBondContact O-N 3.03Å; M357-R359 PolarHBondContact O-N 3.29Å; R359-L361 PolarHBondContact O-N 2.84Å; R359-L362 HydrophobicContact CB-CD1 4.14Å; R359-L362 HydrophobicContact CG-CD1 4.36Å; R359-L362 PolarHBondContact O-N 3.49Å; R359-M405 HydrophobicContact CB-CE 4.16Å; R359-M405 HydrophobicContact CG-CE 4.01Å
360T74.9Confident74Confident11 Ų1140.8 Ų40.87%0.06720%0.203CC..Hα-helixtrans-61.7-30.3176.2-67.80000111.4L306 L309 A355 D358 L362L306-T360 HydrophobicContact CD1-CG2 3.38Å; L309-T360 HydrophobicContact CD2-CG2 4.16Å; A355-T360 PolarHBondContact O-N 2.85Å; D358-T360 PolarHBondContact O-N 3.29Å; T360-L362 VanDerWaalsContact C-N 3.34Å; T360-L362 PolarHBondContact O-N 3.36Å
361L71.8Confident73.1Confident3 Ų342.8 Ų42.82%0.01621%0.209CC..Hα-helixtrans-63.6-34.2178.3-61.7178.7000113L313 W352 A355 A356 R359 F365 Y402 M405 F406L313-L361 HydrophobicContact CD1-CD2 3.9Å; W352-L361 HydrophobicContact CE3-CD1 4.14Å; W352-L361 HydrophobicContact CE3-CD2 4.13Å; W352-L361 HydrophobicContact CZ3-CD1 4.11Å; W352-L361 HydrophobicContact CZ3-CD2 3.73Å; A355-L361 HydrophobicContact CB-CD2 4.1Å; A355-L361 HydrophobicContact CB-CG 4.14Å; A355-L361 PolarHBondContact O-N 3.03Å; A356-L361 HydrophobicContact CB-CD1 4.02Å; R359-L361 PolarHBondContact O-N 2.84Å; L361-F365 HydrophobicContact CD2-CB 4.25Å; L361-F365 HydrophobicContact CD2-CD1 4.31Å; L361-F365 HydrophobicContact CD2-CG 4.22Å; L361-F365 VanDerWaalsContact O-CB 3.28Å; L361-F365 WeakPolarHBondContact O-CB 3.31Å; L361-F365 PolarHBondContact O-N 3.21Å; L361-Y402 HydrophobicContact CD1-CD2 4.27Å; L361-Y402 HydrophobicContact CD1-CE2 4.41Å; L361-M405 HydrophobicContact CB-CE 4.33Å; L361-F406 HydrophobicContact CB-CE2 3.87Å; L361-F406 HydrophobicContact CB-CZ 4Å; L361-F406 HydrophobicContact CD1-CE2 4.05Å
362L66.4Low72.5Confident6 Ų642.9 Ų42.93%0.03121%0.209CC..Hα-helixtrans-68.3-48.9-174.4-68.8171.9000112.8D99 S101 D102 C161 R359 T360 M405 F406D99-L362 WeakPolarHBondContact O-CD2 3.35Å; S101-L362 VanDerWaalsContact OG-CD1 3.3Å; S101-L362 WeakPolarHBondContact OG-CD1 3.28Å; D102-L362 HydrophobicContact CB-CB 3.9Å; D102-L362 VanDerWaalsContact OD2-O 3.09Å; C161-L362 VanDerWaalsContact SG-CD1 3.6Å; R359-L362 HydrophobicContact CB-CD1 4.14Å; R359-L362 HydrophobicContact CG-CD1 4.36Å; R359-L362 PolarHBondContact O-N 3.49Å; T360-L362 VanDerWaalsContact C-N 3.34Å; T360-L362 PolarHBondContact O-N 3.36Å; L362-M405 HydrophobicContact CD1-CE 3.79Å; L362-M405 HydrophobicContact CD2-CE 4.08Å; L362-M405 HydrophobicContact CG-CE 3.47Å; L362-M405 VanDerWaalsContact CG-CE 3.47Å; L362-F406 HydrophobicContact CD2-CD1 4.47Å; L362-F406 HydrophobicContact CD2-CE1 3.43Å; L362-F406 VanDerWaalsContact CD2-CE1 3.43Å; L362-F406 HydrophobicContact CD2-CZ 3.55Å; L362-F406 HydrophobicContact CG-CZ 4.24Å
363K63.2Low71.9Confident114 Ų11445.1 Ų45.150%0.49623%0.225SC..Hα-helixtrans-74.9-36.1-172.4-70.2-175.5175.7-177.50113.8D102 K162D102-K363 HydrophobicContact CB-CG 4.32Å; K162-K363 PolarHBondContact O-NZ 3.46Å
364N58.1Low71.5Confident71 Ų7145 Ų4538%0.3823%0.225SC..Hα-helixtrans-123.7-0.1-163.9-59.4-53.8000114.7I310I310-N364 HydrophobicContact CD1-CB 3.44Å; I310-N364 VanDerWaalsContact CD1-CB 3.44Å; I310-N364 HydrophobicContact CG1-CB 4.39Å
365F62.1Low71.7Confident15 Ų1543 Ų437%0.06622%0.216CC..  trans-132.8108.1-170.3-149.9-90.4000111.1I310 L313 R314 W352 L361 Q367 W371I310-F365 HydrophobicContact CG2-CD2 3.97Å; I310-F365 HydrophobicContact CG2-CE2 4.22Å; L313-F365 HydrophobicContact CB-CE2 3.95Å; L313-F365 HydrophobicContact CB-CZ 4.19Å; R314-F365 HydrophobicContact CB-CE2 4.44Å; R314-F365 HydrophobicContact CG-CD2 4.36Å; R314-F365 HydrophobicContact CG-CE2 3.33Å; R314-F365 HydrophobicContact CG-CZ 3.64Å; W352-F365 HydrophobicContact CH2-CD1 4.5Å; W352-F365 AromaticContact CH2-CE1 3.64Å; W352-F365 HydrophobicContact CH2-CE1 3.64Å; W352-F365 AromaticContact CH2-CZ 3.83Å; W352-F365 HydrophobicContact CH2-CZ 3.83Å; W352-F365 HydrophobicContact CZ2-CZ 4.32Å; W352-F365 HydrophobicContact CZ3-CE1 4.34Å; L361-F365 HydrophobicContact CD2-CB 4.25Å; L361-F365 HydrophobicContact CD2-CD1 4.31Å; L361-F365 HydrophobicContact CD2-CG 4.22Å; L361-F365 VanDerWaalsContact O-CB 3.28Å; L361-F365 WeakPolarHBondContact O-CB 3.31Å; L361-F365 PolarHBondContact O-N 3.21Å; F365-Q367 PolarHBondContact O-N 3.35Å; F365-W371 HydrophobicContact CE1-CB 4.02Å; F365-W371 AromaticContact CE1-CD1 3.1Å; F365-W371 HydrophobicContact CE1-CD2 4.42Å; F365-W371 AromaticContact CE1-CG 3.6Å; F365-W371 HydrophobicContact CE1-CG 3.6Å; F365-W371 AromaticContact CE1-NE1 3.62Å; F365-W371 HydrophobicContact CZ-CB 4.12Å; F365-W371 AromaticContact CZ-CD1 3.58Å; F365-W371 HydrophobicContact CZ-CD2 4.15Å; F365-W371 AromaticContact CZ-CG 3.67Å; F365-W371 HydrophobicContact CZ-CG 3.67Å; F365-W371 AromaticContact CZ-NE1 3.89Å
366P55.1Low71.9Confident89 Ų8944.1 Ų44.158%0.57822%0.223SC*.  trans-58.6138.9172.3-18.629.4000110.1S368P366-S368 PolarHBondContact O-N 3.26Å
367Q59.9Low72.3Confident70 Ų7047.6 Ų47.633%0.32725%0.246SC..  trans-65.146.1-179.6-62.2174.1-4.500113.7F365 Y369 F406 S409F365-Q367 PolarHBondContact O-N 3.35Å; Q367-Y369 PolarHBondContact O-N 3.44Å; Q367-F406 HydrophobicContact CG-CD1 3.65Å; Q367-F406 HydrophobicContact CG-CE1 3.52Å; Q367-F406 HydrophobicContact CG-CG 4.47Å; Q367-F406 HydrophobicContact CG-CZ 4.24Å; Q367-S409 PolarHBondContact NE2-OG 3.21Å; Q367-S409 PolarHBondContact OE1-OG 2.88Å
368S57.8Low72.9Confident33 Ų3346 Ų4623%0.23124%0.239CC..  trans-80.4111.8179.2-169.20000109.3P366 I370 W371P366-S368 PolarHBondContact O-N 3.26Å; S368-I370 PolarHBondContact O-N 3.24Å; S368-I370 WeakPolarHBondContact OG-CB 3.34Å; S368-I370 WeakPolarHBondContact OG-CD1 3.44Å; S368-I370 VanDerWaalsContact OG-CG1 3.27Å; S368-I370 WeakPolarHBondContact OG-CG1 3.49Å; S368-W371 PolarHBondContact O-N 2.83Å; S368-W371 VanDerWaalsContact O-N 3.09Å
369Y66.1Low73.6Confident120 Ų12043.7 Ų43.747%0.47123%0.226SC..G310 helixtrans-52.3-20.9169.760.1-91.6000112.6Q367 W371 L372 C373Q367-Y369 PolarHBondContact O-N 3.44Å; Y369-W371 PolarHBondContact O-N 2.94Å; Y369-W371 VanDerWaalsContact O-N 3.17Å; Y369-L372 WeakPolarHBondContact O-CA 3.48Å; Y369-L372 PolarHBondContact O-N 2.8Å; Y369-C373 PolarHBondContact O-N 3.38Å; Y369-C373 PolarHBondContact O-SG 3.44Å
370I66.1Low74.5Confident94 Ų9442.3 Ų42.348%0.48222%0.221SC..G310 helixtrans-52.8-36.6175.3-61.9175.6000111.3P317 S368 L372P317-I370 WeakPolarHBondContact CG-O 3.24Å; S368-I370 PolarHBondContact O-N 3.24Å; S368-I370 WeakPolarHBondContact OG-CB 3.34Å; S368-I370 WeakPolarHBondContact OG-CD1 3.44Å; S368-I370 VanDerWaalsContact OG-CG1 3.27Å; S368-I370 WeakPolarHBondContact OG-CG1 3.49Å; I370-L372 VanDerWaalsContact C-N 3.3Å; I370-L372 PolarHBondContact O-N 3.34Å
371W74.2Confident75.2Confident70 Ų7047.3 Ų47.327%0.26524%0.243SC..G310 helixtrans-73.9-22.5179.1-48.3118.7000113.3R314 P317 W352 F365 S368 Y369R314-W371 HydrophobicContact CB-CE3 4.09Å; R314-W371 HydrophobicContact CB-CH2 4.26Å; R314-W371 HydrophobicContact CB-CZ3 3.95Å; R314-W371 HydrophobicContact CG-CD2 4.45Å; R314-W371 HydrophobicContact CG-CE3 4.48Å; R314-W371 HydrophobicContact CG-CH2 4.35Å; R314-W371 HydrophobicContact CG-CZ2 4.31Å; R314-W371 HydrophobicContact CG-CZ3 4.43Å; R314-W371 VanDerWaalsContact O-CZ3 3.28Å; R314-W371 WeakPolarHBondContact O-CZ3 3.32Å; P317-W371 VanDerWaalsContact CG-O 3.23Å; P317-W371 WeakPolarHBondContact CG-O 3.4Å; W352-W371 HydrophobicContact CH2-CB 3.83Å; W352-W371 HydrophobicContact CZ2-CB 3.92Å; F365-W371 HydrophobicContact CE1-CB 4.02Å; F365-W371 AromaticContact CE1-CD1 3.1Å; F365-W371 HydrophobicContact CE1-CD2 4.42Å; F365-W371 AromaticContact CE1-CG 3.6Å; F365-W371 HydrophobicContact CE1-CG 3.6Å; F365-W371 AromaticContact CE1-NE1 3.62Å; F365-W371 HydrophobicContact CZ-CB 4.12Å; F365-W371 AromaticContact CZ-CD1 3.58Å; F365-W371 HydrophobicContact CZ-CD2 4.15Å; F365-W371 AromaticContact CZ-CG 3.67Å; F365-W371 HydrophobicContact CZ-CG 3.67Å; F365-W371 AromaticContact CZ-NE1 3.89Å; S368-W371 PolarHBondContact O-N 2.83Å; S368-W371 VanDerWaalsContact O-N 3.09Å; Y369-W371 PolarHBondContact O-N 2.94Å; Y369-W371 VanDerWaalsContact O-N 3.17Å
372L81Confident76Confident1 Ų149.4 Ų49.41%0.00526%0.256CS..THydrogen-bonded Turntrans-96.2-25.9-175.3-57.7178.6000112.4W352 Y369 I370 G374 F375 F398 Y402 W416W352-L372 HydrophobicContact CD2-CD2 4.13Å; W352-L372 HydrophobicContact CE3-CD2 3.78Å; W352-L372 HydrophobicContact CH2-CD2 3.57Å; W352-L372 HydrophobicContact CH2-CG 4.48Å; W352-L372 HydrophobicContact CZ2-CD2 3.95Å; W352-L372 HydrophobicContact CZ3-CD2 3.5Å; W352-L372 VanDerWaalsContact CZ3-CD2 3.5Å; Y369-L372 WeakPolarHBondContact O-CA 3.48Å; Y369-L372 PolarHBondContact O-N 2.8Å; I370-L372 VanDerWaalsContact C-N 3.3Å; I370-L372 PolarHBondContact O-N 3.34Å; L372-G374 PolarHBondContact O-N 3.04Å; L372-F375 PolarHBondContact O-N 2.87Å; L372-F398 HydrophobicContact CD2-CE1 4.34Å; L372-F398 HydrophobicContact CD2-CZ 3.64Å; L372-Y402 HydrophobicContact CD1-CD2 4.18Å; L372-Y402 HydrophobicContact CD1-CE1 3.98Å; L372-Y402 HydrophobicContact CD1-CE2 3.48Å; L372-Y402 VanDerWaalsContact CD1-CE2 3.48Å; L372-Y402 WeakPolarHBondContact CD1-OH 3.3Å; L372-W416 HydrophobicContact CB-CD2 3.99Å; L372-W416 HydrophobicContact CB-CE3 3.7Å; L372-W416 HydrophobicContact CB-CH2 4.34Å; L372-W416 HydrophobicContact CB-CZ3 3.89Å; L372-W416 HydrophobicContact CD1-CD2 4.3Å; L372-W416 HydrophobicContact CD1-CE3 4.27Å; L372-W416 HydrophobicContact CD1-CH2 3.43Å; L372-W416 VanDerWaalsContact CD1-CH2 3.43Å; L372-W416 HydrophobicContact CD1-CZ2 3.47Å; L372-W416 VanDerWaalsContact CD1-CZ2 3.47Å; L372-W416 HydrophobicContact CD1-CZ3 3.86Å; L372-W416 HydrophobicContact CG-CH2 4.41Å; L372-W416 HydrophobicContact CG-CZ3 4.39Å
373C77.5Confident77.2Confident50 Ų5049.4 Ų49.434%0.33826%0.256SS..G310 helixtrans-56.6-15.5170.2-66.20000113.2Y369 F375 T376Y369-C373 PolarHBondContact O-N 3.38Å; Y369-C373 PolarHBondContact O-SG 3.44Å; C373-F375 PolarHBondContact O-N 3.46Å; C373-T376 PolarHBondContact O-OG1 2.96Å
374G82Confident78.6Confident3 Ų346 Ų463%0.03125%0.247CC..G310 helixtrans-60.9-29.8171.200000114.5L320 R324 L372L320-G374 VanDerWaalsContact CD1-O 3.28Å; L320-G374 WeakPolarHBondContact CD1-O 3.26Å; R324-G374 PolarHBondContact NH2-O 3.37Å; L372-G374 PolarHBondContact O-N 3.04Å
375F91.7Very high80.1Confident0 Ų044 Ų440%024%0.236CC..G310 helixtrans-90.4-9.1-175.1-66.8-75.6000114.2L320 Y345 L348 L349 W352 L372 C373 M420L320-F375 HydrophobicContact CD1-CD1 3.69Å; L320-F375 HydrophobicContact CD1-CE1 3.7Å; L320-F375 HydrophobicContact CD1-CG 4.29Å; L320-F375 HydrophobicContact CD1-CZ 4.32Å; Y345-F375 HydrophobicContact CD2-CD1 4.34Å; Y345-F375 AromaticContact CE2-CD1 3.73Å; Y345-F375 HydrophobicContact CE2-CD1 3.73Å; Y345-F375 AromaticContact CZ-CD1 3.95Å; Y345-F375 PolarHBondContact OH-O 3.42Å; L348-F375 HydrophobicContact CB-CE1 3.91Å; L348-F375 HydrophobicContact CB-CZ 3.93Å; L349-F375 HydrophobicContact CD2-CD1 3.58Å; L349-F375 HydrophobicContact CD2-CE1 3.74Å; L349-F375 HydrophobicContact CD2-CG 4.15Å; L349-F375 HydrophobicContact CD2-CZ 4.41Å; L349-F375 HydrophobicContact CG-CD1 3.94Å; L349-F375 HydrophobicContact CG-CE1 3.81Å; W352-F375 AromaticContact CD1-CE2 3.47Å; W352-F375 VanDerWaalsContact CD1-CE2 3.47Å; W352-F375 AromaticContact CD1-CZ 3.31Å; W352-F375 HydrophobicContact CD2-CE2 4.34Å; W352-F375 AromaticContact CE2-CE2 3.96Å; W352-F375 HydrophobicContact CG-CE2 4.04Å; W352-F375 HydrophobicContact CG-CZ 4.14Å; W352-F375 AromaticContact NE1-CE2 3.39Å; W352-F375 AromaticContact NE1-CZ 3.55Å; L372-F375 PolarHBondContact O-N 2.87Å; C373-F375 PolarHBondContact O-N 3.46Å; F375-M420 HydrophobicContact CB-CE 3.54Å; F375-M420 HydrophobicContact CB-CG 4.45Å; F375-M420 HydrophobicContact CB-SD 3.64Å; F375-M420 HydrophobicContact CG-CE 4.3Å
376T90.9Very high81.4Confident24 Ų2447.5 Ų47.515%0.14726%0.259CS..SBendtrans-77.9153.8173.464.50000111.4R324 C373 P378 Q419 M420 D423R324-T376 PolarHBondContact NH1-O 2.92Å; C373-T376 PolarHBondContact O-OG1 2.96Å; T376-P378 VanDerWaalsContact C-CD 3.49Å; T376-Q419 HydrophobicContact CG2-CB 4Å; T376-Q419 HydrophobicContact CG2-CG 3.97Å; T376-M420 HydrophobicContact CG2-CG 3.87Å; T376-D423 WeakPolarHBondContact CA-OD2 3.41Å
377C88.9Confident83.2Confident74 Ų7443.6 Ų43.650%0.523%0.234SC..SBendtrans47.852.8-172.6-50.10000112.8R324 D423R324-C377 PolarHBondContact NH1-O 3.35Å; C377-D423 PolarHBondContact N-OD2 3.43Å
378P92.8Very high84.9Confident9 Ų940.2 Ų40.26%0.05822%0.218CC..  trans-64.1150.2171.630.9-34.9000109.9Y345 T376 Y380 D423Y345-P378 HydrophobicContact CD2-CB 4.48Å; Y345-P378 HydrophobicContact CE1-CB 4.34Å; Y345-P378 HydrophobicContact CE2-CB 3.73Å; T376-P378 VanDerWaalsContact C-CD 3.49Å; P378-Y380 HydrophobicContact CB-CD1 4.25Å; P378-Y380 HydrophobicContact CB-CD2 4.42Å; P378-Y380 HydrophobicContact CB-CE1 4.08Å; P378-Y380 HydrophobicContact CB-CE2 4.27Å; P378-Y380 HydrophobicContact CB-CG 4.4Å; P378-Y380 HydrophobicContact CG-CD1 4.09Å; P378-Y380 HydrophobicContact CG-CD2 3.47Å; P378-Y380 VanDerWaalsContact CG-CD2 3.47Å; P378-Y380 HydrophobicContact CG-CE1 3.82Å; P378-Y380 HydrophobicContact CG-CE2 3.16Å; P378-Y380 HydrophobicContact CG-CG 3.92Å; P378-Y380 PolarHBondContact O-N 3.27Å; P378-D423 HydrophobicContact CG-CB 4.47Å
379M91.2Very high86.6Confident24 Ų2442.5 Ų42.512%0.11822%0.223CC..  trans-77.755.8178.7-63.3177.3149.500111.6R324 L327 A328 Y341 E381 V382 M383R324-M379 HydrophobicContact CB-CE 3.84Å; R324-M379 HydrophobicContact CB-SD 4.12Å; R324-M379 HydrophobicContact CG-CE 4.11Å; R324-M379 HydrophobicContact CG-CG 3.89Å; R324-M379 HydrophobicContact CG-SD 3.84Å; R324-M379 WeakPolarHBondContact O-CE 3.46Å; L327-M379 HydrophobicContact CB-CE 4.23Å; L327-M379 HydrophobicContact CB-SD 3.87Å; L327-M379 HydrophobicContact CD1-SD 3.9Å; A328-M379 HydrophobicContact CB-CE 3.96Å; Y341-M379 HydrophobicContact CE1-CB 3.9Å; Y341-M379 HydrophobicContact CE1-CG 4.48Å; Y341-M379 PolarHBondContact OH-N 2.9Å; M379-E381 VanDerWaalsContact CA-OE2 3.31Å; M379-E381 WeakPolarHBondContact CA-OE2 3.43Å; M379-E381 PolarHBondContact O-N 2.84Å; M379-E381 VanDerWaalsContact O-N 3.15Å; M379-V382 HydrophobicContact CB-CG2 3.75Å; M379-V382 WeakPolarHBondContact O-CG2 3.24Å; M379-V382 PolarHBondContact O-N 3.33Å; M379-M383 WeakPolarHBondContact O-CG 3.42Å
380Y93.2Very high87.9Confident7 Ų740.3 Ų40.33%0.02722%0.219CC..THydrogen-bonded Turntrans-58.7-25.8-178.9-74.3-39.6000112.9Y345 P378 V382 M383 F388 A391 V392 T395 D423 A424 A427 R431Y345-Y380 HydrophobicContact CE1-CE1 4.45Å; P378-Y380 HydrophobicContact CB-CD1 4.25Å; P378-Y380 HydrophobicContact CB-CD2 4.42Å; P378-Y380 HydrophobicContact CB-CE1 4.08Å; P378-Y380 HydrophobicContact CB-CE2 4.27Å; P378-Y380 HydrophobicContact CB-CG 4.4Å; P378-Y380 HydrophobicContact CG-CD1 4.09Å; P378-Y380 HydrophobicContact CG-CD2 3.47Å; P378-Y380 VanDerWaalsContact CG-CD2 3.47Å; P378-Y380 HydrophobicContact CG-CE1 3.82Å; P378-Y380 HydrophobicContact CG-CE2 3.16Å; P378-Y380 HydrophobicContact CG-CG 3.92Å; P378-Y380 PolarHBondContact O-N 3.27Å; Y380-V382 VanDerWaalsContact C-N 3.34Å; Y380-V382 PolarHBondContact O-N 2.59Å; Y380-M383 HydrophobicContact CD1-CE 4.11Å; Y380-M383 HydrophobicContact CD1-SD 3.82Å; Y380-M383 HydrophobicContact CE1-CE 4.42Å; Y380-M383 HydrophobicContact CE1-SD 4.34Å; Y380-F388 AromaticContact CD1-CD2 3.7Å; Y380-F388 HydrophobicContact CD1-CD2 3.7Å; Y380-F388 HydrophobicContact CD1-CE2 4.11Å; Y380-F388 HydrophobicContact CD2-CE2 4.37Å; Y380-F388 HydrophobicContact CE1-CD2 4.35Å; Y380-F388 AromaticContact CG-CD2 3.92Å; Y380-F388 HydrophobicContact CG-CD2 3.92Å; Y380-F388 AromaticContact CG-CE2 3.99Å; Y380-F388 HydrophobicContact CG-CE2 3.99Å; Y380-A391 HydrophobicContact CE1-CB 3.9Å; Y380-V392 HydrophobicContact CE1-CG2 4.14Å; Y380-T395 PolarHBondContact OH-OG1 3.37Å; Y380-D423 HydrophobicContact CE2-CB 4.37Å; Y380-A424 HydrophobicContact CE2-CB 4.18Å; Y380-A427 HydrophobicContact CD2-CB 3.47Å; Y380-A427 VanDerWaalsContact CD2-CB 3.47Å; Y380-A427 HydrophobicContact CE2-CB 4.45Å; Y380-A427 HydrophobicContact CG-CB 3.82Å; Y380-R431 PolarHBondContact O-NH2 3Å
381E89Confident89.4Confident116 Ų11635.9 Ų35.954%0.54220%0.196SC..THydrogen-bonded Turntrans-68.3-27.3179.769.8-73.2173.200114M379M379-E381 VanDerWaalsContact CA-OE2 3.31Å; M379-E381 WeakPolarHBondContact CA-OE2 3.43Å; M379-E381 PolarHBondContact O-N 2.84Å; M379-E381 VanDerWaalsContact O-N 3.15Å
382V88.6Confident90.4Very high47 Ų4732.5 Ų32.529%0.28518%0.183SC..THydrogen-bonded Turntrans-95.3-17.7178.4-520000113.1P333 V338 M379 Y380P333-V382 HydrophobicContact CG-CG1 4.48Å; V338-V382 HydrophobicContact CG1-CB 4.33Å; V338-V382 HydrophobicContact CG1-CG2 3.95Å; V338-V382 VanDerWaalsContact CG1-O 3.28Å; V338-V382 WeakPolarHBondContact CG1-O 3.45Å; V338-V382 HydrophobicContact CG2-CG2 4.3Å; M379-V382 HydrophobicContact CB-CG2 3.75Å; M379-V382 WeakPolarHBondContact O-CG2 3.24Å; M379-V382 PolarHBondContact O-N 3.33Å; Y380-V382 VanDerWaalsContact C-N 3.34Å; Y380-V382 PolarHBondContact O-N 2.59Å
383M92.4Very high91Very high6 Ų633.7 Ų33.73%0.0319%0.19CC..SBendtrans-63.9154-175.4-63-170.8-179.800112.6Y341 E342 Y345 M379 Y380 F388 A391 R431Y341-M383 HydrophobicContact CD1-CE 4.01Å; Y341-M383 HydrophobicContact CE1-CE 3.46Å; Y341-M383 VanDerWaalsContact CE1-CE 3.46Å; E342-M383 HydrophobicContact CG-CB 3.81Å; E342-M383 HydrophobicContact CG-CG 3.58Å; E342-M383 HydrophobicContact CG-SD 4.04Å; E342-M383 WeakPolarHBondContact OE1-CA 3.42Å; Y345-M383 HydrophobicContact CD1-CE 4.25Å; Y345-M383 HydrophobicContact CG-CE 4.34Å; M379-M383 WeakPolarHBondContact O-CG 3.42Å; Y380-M383 HydrophobicContact CD1-CE 4.11Å; Y380-M383 HydrophobicContact CD1-SD 3.82Å; Y380-M383 HydrophobicContact CE1-CE 4.42Å; Y380-M383 HydrophobicContact CE1-SD 4.34Å; M383-F388 HydrophobicContact CB-CB 4.28Å; M383-A391 HydrophobicContact SD-CB 4.16Å; M383-R431 PolarHBondContact O-NH2 3.25Å
384S91.2Very high91.8Very high43 Ų4332.7 Ų32.730%0.30118%0.179SC..  trans-60.1161.1162.269.60000111.3E342 T386 G387 F388E342-S384 PolarHBondContact OE1-N 2.97Å; E342-S384 PolarHBondContact OE2-OG 3.39Å; S384-T386 VanDerWaalsContact C-N 3.3Å; S384-T386 PolarHBondContact O-N 3.1Å; S384-T386 PolarHBondContact OG-OG1 3.48Å; S384-G387 PolarHBondContact O-N 2.95Å; S384-G387 PolarHBondContact OG-N 3.37Å; S384-F388 VanDerWaalsContact O-CB 3.23Å; S384-F388 WeakPolarHBondContact O-CB 3.37Å; S384-F388 PolarHBondContact O-N 3.1Å
385I90.1Very high92.5Very high29 Ų2932.6 Ų32.615%0.14918%0.177CC..Hα-helixtrans-62.7-39176.1-167.664.1000112.2F388 Y389 I440 L445 L448I385-F388 HydrophobicContact CD1-CD1 4.39Å; I385-Y389 WeakPolarHBondContact O-CB 3.39Å; I385-Y389 PolarHBondContact O-N 3.28Å; I385-I440 HydrophobicContact CB-CD1 3.93Å; I385-I440 HydrophobicContact CD1-CD1 4.45Å; I385-I440 HydrophobicContact CG1-CD1 3.73Å; I385-I440 HydrophobicContact CG2-CD1 3.78Å; I385-L445 HydrophobicContact CD1-CD1 3.93Å; I385-L448 HydrophobicContact CD1-CD1 4.34Å; I385-L448 HydrophobicContact CD1-CD2 3.99Å; I385-L448 HydrophobicContact CG1-CD1 3.75Å; I385-L448 HydrophobicContact CG1-CD2 4.3Å
386T90.4Very high92.5Very high89 Ų8932.7 Ų32.755%0.54618%0.178SC..Hα-helixtrans-68.6-45.9177.747.60000111.2S384 F388 Y389 D390S384-T386 VanDerWaalsContact C-N 3.3Å; S384-T386 PolarHBondContact O-N 3.1Å; S384-T386 PolarHBondContact OG-OG1 3.48Å; T386-F388 VanDerWaalsContact C-N 3.34Å; T386-F388 PolarHBondContact O-N 3.36Å; T386-Y389 PolarHBondContact O-N 3.45Å; T386-D390 PolarHBondContact O-N 3.21Å
387G92.7Very high92.4Very high6 Ų635.6 Ų35.66%0.06219%0.186CC..Hα-helixtrans-64.9-38.2177.600000112.5S384 A391S384-G387 PolarHBondContact O-N 2.95Å; S384-G387 PolarHBondContact OG-N 3.37Å; G387-A391 VanDerWaalsContact O-CB 3.22Å; G387-A391 WeakPolarHBondContact O-CB 3.05Å; G387-A391 PolarHBondContact O-N 3.17Å
388F94.7Very high92.6Very high0 Ų032 Ų320%016%0.163CC..Hα-helixtrans-61.7-49.8172168.1-102.6000112Y380 M383 S384 I385 T386 D390 A391 V392 A427 I428 R431 L449Y380-F388 AromaticContact CD1-CD2 3.7Å; Y380-F388 HydrophobicContact CD1-CD2 3.7Å; Y380-F388 HydrophobicContact CD1-CE2 4.11Å; Y380-F388 HydrophobicContact CD2-CE2 4.37Å; Y380-F388 HydrophobicContact CE1-CD2 4.35Å; Y380-F388 AromaticContact CG-CD2 3.92Å; Y380-F388 HydrophobicContact CG-CD2 3.92Å; Y380-F388 AromaticContact CG-CE2 3.99Å; Y380-F388 HydrophobicContact CG-CE2 3.99Å; M383-F388 HydrophobicContact CB-CB 4.28Å; S384-F388 VanDerWaalsContact O-CB 3.23Å; S384-F388 WeakPolarHBondContact O-CB 3.37Å; S384-F388 PolarHBondContact O-N 3.1Å; I385-F388 HydrophobicContact CD1-CD1 4.39Å; T386-F388 VanDerWaalsContact C-N 3.34Å; T386-F388 PolarHBondContact O-N 3.36Å; F388-D390 PolarHBondContact O-N 3.29Å; F388-A391 PolarHBondContact O-N 3.31Å; F388-V392 HydrophobicContact CD2-CG2 3.96Å; F388-V392 HydrophobicContact CE1-CG2 4.36Å; F388-V392 HydrophobicContact CE2-CG2 3.5Å; F388-V392 HydrophobicContact CZ-CG2 3.75Å; F388-V392 WeakPolarHBondContact O-CG2 3.43Å; F388-V392 PolarHBondContact O-N 3.17Å; F388-A427 HydrophobicContact CE2-CB 3.62Å; F388-A427 HydrophobicContact CZ-CB 4.23Å; F388-I428 HydrophobicContact CE1-CG1 4.41Å; F388-I428 HydrophobicContact CZ-CG1 3.8Å; F388-R431 VanDerWaalsContact CB-CZ 3.46Å; F388-R431 VanDerWaalsContact CD1-CD 3.48Å; F388-L449 HydrophobicContact CE1-CD2 3.88Å
389Y93.7Very high92.5Very high81 Ų8131.6 Ų31.632%0.31816%0.16SC..Hα-helixtrans-54.6-54177.6173.6-98.1000110.9I385 T386 A391 V392 I393 L448 C452I385-Y389 WeakPolarHBondContact O-CB 3.39Å; I385-Y389 PolarHBondContact O-N 3.28Å; T386-Y389 PolarHBondContact O-N 3.45Å; Y389-A391 VanDerWaalsContact C-N 3.34Å; Y389-A391 PolarHBondContact O-N 3.46Å; Y389-V392 PolarHBondContact O-N 2.94Å; Y389-I393 HydrophobicContact CD1-CG1 4.28Å; Y389-I393 HydrophobicContact CD2-CG1 4.22Å; Y389-I393 HydrophobicContact CE1-CG1 3.94Å; Y389-I393 HydrophobicContact CE2-CD1 4.03Å; Y389-I393 HydrophobicContact CE2-CG1 3.89Å; Y389-I393 HydrophobicContact CG-CG1 4.42Å; Y389-I393 VanDerWaalsContact O-CG1 3.31Å; Y389-I393 WeakPolarHBondContact O-CG1 3.35Å; Y389-I393 PolarHBondContact O-N 3.24Å; Y389-L448 HydrophobicContact CD2-CD1 4.29Å; Y389-L448 HydrophobicContact CD2-CD2 3.94Å; Y389-L448 HydrophobicContact CD2-CG 3.62Å; Y389-L448 HydrophobicContact CE2-CG 4.34Å; Y389-L448 HydrophobicContact CG-CD1 4.44Å; Y389-L448 HydrophobicContact CG-CD2 4.48Å; Y389-L448 HydrophobicContact CG-CG 4.22Å; Y389-C452 VanDerWaalsContact CD2-SG 3.6Å
390D94.2Very high92.3Very high74 Ų7431.9 Ų31.940%0.39616%0.163SC..Hα-helixtrans-58.7-45.6-179.8-73.2-24.8000111.7T346 T386 F388 V392 I393 W394T346-D390 HydrophobicContact CG2-CB 4.13Å; T386-D390 PolarHBondContact O-N 3.21Å; F388-D390 PolarHBondContact O-N 3.29Å; D390-V392 PolarHBondContact O-N 2.9Å; D390-I393 PolarHBondContact O-N 3.11Å; D390-W394 WeakPolarHBondContact O-CB 3.33Å; D390-W394 PolarHBondContact O-N 2.92Å
391A96.3Very high91.8Very high0 Ų031.8 Ų31.80%016%0.164CC..Hα-helixtrans-60.7-42.5179.500000112.3Y345 L349 Y380 M383 G387 F388 Y389 T395Y345-A391 HydrophobicContact CD1-CB 3.88Å; Y345-A391 HydrophobicContact CE1-CB 4.02Å; L349-A391 WeakPolarHBondContact CD1-O 3.39Å; Y380-A391 HydrophobicContact CE1-CB 3.9Å; M383-A391 HydrophobicContact SD-CB 4.16Å; G387-A391 VanDerWaalsContact O-CB 3.22Å; G387-A391 WeakPolarHBondContact O-CB 3.05Å; G387-A391 PolarHBondContact O-N 3.17Å; F388-A391 PolarHBondContact O-N 3.31Å; Y389-A391 VanDerWaalsContact C-N 3.34Å; Y389-A391 PolarHBondContact O-N 3.46Å; A391-T395 WeakPolarHBondContact O-CB 3.2Å; A391-T395 PolarHBondContact O-N 3.05Å; A391-T395 PolarHBondContact O-OG1 2.92Å
392V95.7Very high91.7Very high0 Ų026.7 Ų26.70%014%0.14CC..Hα-helixtrans-70.7-41.6179.2175.30000111.4Y380 F388 Y389 D390 W394 T395 G396 A424 C452 I456Y380-V392 HydrophobicContact CE1-CG2 4.14Å; F388-V392 HydrophobicContact CD2-CG2 3.96Å; F388-V392 HydrophobicContact CE1-CG2 4.36Å; F388-V392 HydrophobicContact CE2-CG2 3.5Å; F388-V392 HydrophobicContact CZ-CG2 3.75Å; F388-V392 WeakPolarHBondContact O-CG2 3.43Å; F388-V392 PolarHBondContact O-N 3.17Å; Y389-V392 PolarHBondContact O-N 2.94Å; D390-V392 PolarHBondContact O-N 2.9Å; V392-W394 VanDerWaalsContact C-N 3.34Å; V392-W394 PolarHBondContact O-N 3.4Å; V392-T395 WeakPolarHBondContact O-CB 3.17Å; V392-T395 PolarHBondContact O-N 2.99Å; V392-G396 PolarHBondContact O-N 2.92Å; V392-A424 HydrophobicContact CG1-CB 4.32Å; V392-A424 HydrophobicContact CG2-CB 4.36Å; V392-C452 HydrophobicContact CB-CB 4.25Å; V392-C452 HydrophobicContact CG1-CB 3.7Å; V392-I456 HydrophobicContact CG1-CD1 3.99Å; V392-I456 HydrophobicContact CG1-CG1 3.59Å
393I93.9Very high91.4Very high26 Ų2624.5 Ų24.513%0.13313%0.126CC..Hα-helixtrans-60-46.5175.5-66.1-56.2000110.6Y389 D390 T395 G396 R397 A455Y389-I393 HydrophobicContact CD1-CG1 4.28Å; Y389-I393 HydrophobicContact CD2-CG1 4.22Å; Y389-I393 HydrophobicContact CE1-CG1 3.94Å; Y389-I393 HydrophobicContact CE2-CD1 4.03Å; Y389-I393 HydrophobicContact CE2-CG1 3.89Å; Y389-I393 HydrophobicContact CG-CG1 4.42Å; Y389-I393 VanDerWaalsContact O-CG1 3.31Å; Y389-I393 WeakPolarHBondContact O-CG1 3.35Å; Y389-I393 PolarHBondContact O-N 3.24Å; D390-I393 PolarHBondContact O-N 3.11Å; I393-T395 VanDerWaalsContact C-N 3.34Å; I393-G396 PolarHBondContact O-N 3.18Å; I393-R397 WeakPolarHBondContact O-CG 3.32Å; I393-R397 PolarHBondContact O-N 2.84Å; I393-A455 HydrophobicContact CD1-CB 3.63Å
394W94.8Very high90.6Very high29 Ų2927.2 Ų27.211%0.1114%0.141CC..Hα-helixtrans-68.9-32177.7-79.4107.7000113T346 L349 Q350 F353 D390 V392 R397 F398T346-W394 HydrophobicContact CG2-CB 4.44Å; T346-W394 HydrophobicContact CG2-CG 4.07Å; L349-W394 HydrophobicContact CB-CB 3.95Å; L349-W394 HydrophobicContact CD1-CB 4.08Å; Q350-W394 HydrophobicContact CB-CE3 4.45Å; Q350-W394 HydrophobicContact CG-CD2 3.38Å; Q350-W394 HydrophobicContact CG-CE3 3.65Å; Q350-W394 HydrophobicContact CG-CG 3.91Å; Q350-W394 HydrophobicContact CG-CH2 3.91Å; Q350-W394 HydrophobicContact CG-CZ2 3.68Å; Q350-W394 HydrophobicContact CG-CZ3 3.9Å; Q350-W394 VanDerWaalsContact NE2-CE2 3.28Å; F353-W394 HydrophobicContact CB-CE3 4.38Å; F353-W394 HydrophobicContact CB-CZ3 4.29Å; F353-W394 HydrophobicContact CD1-CE3 4.45Å; F353-W394 HydrophobicContact CD1-CH2 4.46Å; F353-W394 AromaticContact CD1-CZ3 3.6Å; F353-W394 HydrophobicContact CD1-CZ3 3.6Å; F353-W394 HydrophobicContact CE1-CZ3 4.08Å; F353-W394 HydrophobicContact CG-CE3 4.38Å; F353-W394 AromaticContact CG-CZ3 3.95Å; F353-W394 HydrophobicContact CG-CZ3 3.95Å; D390-W394 WeakPolarHBondContact O-CB 3.33Å; D390-W394 PolarHBondContact O-N 2.92Å; V392-W394 VanDerWaalsContact C-N 3.34Å; V392-W394 PolarHBondContact O-N 3.4Å; W394-R397 HydrophobicContact CE3-CB 4.23Å; W394-R397 PolarHBondContact O-N 2.87Å; W394-F398 VanDerWaalsContact O-CB 3.28Å; W394-F398 WeakPolarHBondContact O-CB 3.42Å; W394-F398 PolarHBondContact O-N 3.45Å
395T95.2Very high89.7Confident0 Ų025.7 Ų25.70%013%0.129CC..Hα-helixtrans-59.4-51.8170.7-63.60000110.3L349 Y380 A391 V392 I393 R397 F398 L399 M420 I456L349-T395 WeakPolarHBondContact CD1-OG1 3.44Å; Y380-T395 PolarHBondContact OH-OG1 3.37Å; A391-T395 WeakPolarHBondContact O-CB 3.2Å; A391-T395 PolarHBondContact O-N 3.05Å; A391-T395 PolarHBondContact O-OG1 2.92Å; V392-T395 WeakPolarHBondContact O-CB 3.17Å; V392-T395 PolarHBondContact O-N 2.99Å; I393-T395 VanDerWaalsContact C-N 3.34Å; T395-R397 VanDerWaalsContact C-N 3.34Å; T395-R397 PolarHBondContact O-N 3.34Å; T395-F398 PolarHBondContact O-N 3.05Å; T395-L399 HydrophobicContact CG2-CD1 4.02Å; T395-L399 HydrophobicContact CG2-CG 4.29Å; T395-L399 WeakPolarHBondContact O-CB 3.49Å; T395-L399 VanDerWaalsContact O-CG 3.32Å; T395-L399 WeakPolarHBondContact O-CG 3.45Å; T395-L399 PolarHBondContact O-N 3.4Å; T395-M420 HydrophobicContact CG2-CE 3.77Å; T395-I456 HydrophobicContact CG2-CD1 3.86Å
396G92.3Very high89.2Confident2 Ų224.5 Ų24.52%0.02112%0.123CC..Hα-helixtrans-59.3-42.1178.600000113.4V392 I393 T400 A455V392-G396 PolarHBondContact O-N 2.92Å; I393-G396 PolarHBondContact O-N 3.18Å; G396-T400 WeakPolarHBondContact O-CB 3.26Å; G396-T400 PolarHBondContact O-N 2.48Å; G396-T400 VanDerWaalsContact O-N 3.07Å; G396-T400 PolarHBondContact O-OG1 3.46Å; G396-A455 VanDerWaalsContact CA-O 3.27Å; G396-A455 WeakPolarHBondContact CA-O 3.39Å
397R89.7Confident88.5Confident85 Ų8522.5 Ų22.532%0.32111%0.105SC..Hα-helixtrans-62.8-49.2175.4-72.2177.4-178.9-164.8-2.2112.1F353 I393 W394 T395 T400 A401F353-R397 HydrophobicContact CD2-CB 3.87Å; F353-R397 WeakPolarHBondContact CD2-O 3.28Å; F353-R397 HydrophobicContact CE2-CB 3.95Å; I393-R397 WeakPolarHBondContact O-CG 3.32Å; I393-R397 PolarHBondContact O-N 2.84Å; W394-R397 HydrophobicContact CE3-CB 4.23Å; W394-R397 PolarHBondContact O-N 2.87Å; T395-R397 VanDerWaalsContact C-N 3.34Å; T395-R397 PolarHBondContact O-N 3.34Å; R397-T400 PolarHBondContact O-N 3.34Å; R397-A401 WeakPolarHBondContact O-CB 3.44Å; R397-A401 PolarHBondContact O-N 2.98Å
398F91.7Very high87.5Confident0 Ų024.7 Ų24.70%012%0.119CC..Hα-helixtrans-59.3-50.7178.4163.7-117.1000111.4L349 W352 F353 L372 W394 T395 T400 A401 Y402 W416 M420L349-F398 HydrophobicContact CD2-CB 4.23Å; L349-F398 HydrophobicContact CD2-CD1 3.89Å; L349-F398 HydrophobicContact CD2-CG 4.26Å; W352-F398 HydrophobicContact CB-CD2 3.7Å; W352-F398 HydrophobicContact CB-CE2 3.76Å; W352-F398 HydrophobicContact CB-CG 4.38Å; W352-F398 HydrophobicContact CB-CZ 4.48Å; W352-F398 HydrophobicContact CD2-CE2 4.37Å; W352-F398 AromaticContact CE3-CE2 3.99Å; W352-F398 HydrophobicContact CE3-CE2 3.99Å; W352-F398 HydrophobicContact CE3-CZ 4.32Å; W352-F398 HydrophobicContact CG-CE2 4.34Å; F353-F398 HydrophobicContact CB-CB 4.38Å; L372-F398 HydrophobicContact CD2-CE1 4.34Å; L372-F398 HydrophobicContact CD2-CZ 3.64Å; W394-F398 VanDerWaalsContact O-CB 3.28Å; W394-F398 WeakPolarHBondContact O-CB 3.42Å; W394-F398 PolarHBondContact O-N 3.45Å; T395-F398 PolarHBondContact O-N 3.05Å; F398-T400 VanDerWaalsContact C-N 3.32Å; F398-T400 PolarHBondContact O-N 3.5Å; F398-A401 PolarHBondContact O-N 2.93Å; F398-Y402 AromaticContact CE2-CD2 3.88Å; F398-Y402 HydrophobicContact CE2-CD2 3.88Å; F398-Y402 HydrophobicContact CE2-CG 4.19Å; F398-Y402 AromaticContact CZ-CD2 3.97Å; F398-Y402 HydrophobicContact CZ-CD2 3.97Å; F398-Y402 HydrophobicContact CZ-CG 4.18Å; F398-Y402 WeakPolarHBondContact O-CB 3.43Å; F398-Y402 PolarHBondContact O-N 3.35Å; F398-W416 HydrophobicContact CE1-CZ3 4.3Å; F398-M420 HydrophobicContact CD1-CE 4.03Å; F398-M420 HydrophobicContact CE1-CE 4.12Å; F398-M420 HydrophobicContact CE1-SD 4.42Å
399L91.5Very high86.6Confident0 Ų025.5 Ų25.50%013%0.125CC..Hα-helixtrans-58.6-44.9-180-69.5-177.3000111.5T395 A401 Y402 E403 W416 Y417 M420 I421 P459T395-L399 HydrophobicContact CG2-CD1 4.02Å; T395-L399 HydrophobicContact CG2-CG 4.29Å; T395-L399 WeakPolarHBondContact O-CB 3.49Å; T395-L399 VanDerWaalsContact O-CG 3.32Å; T395-L399 WeakPolarHBondContact O-CG 3.45Å; T395-L399 PolarHBondContact O-N 3.4Å; L399-A401 PolarHBondContact O-N 3.25Å; L399-Y402 PolarHBondContact O-N 3.14Å; L399-E403 VanDerWaalsContact O-CB 3.3Å; L399-E403 WeakPolarHBondContact O-CB 3.29Å; L399-E403 PolarHBondContact O-N 2.75Å; L399-W416 HydrophobicContact CD2-CH2 4.26Å; L399-W416 HydrophobicContact CD2-CZ3 3.86Å; L399-Y417 HydrophobicContact CB-CE2 3.73Å; L399-Y417 HydrophobicContact CD2-CD2 3.65Å; L399-Y417 HydrophobicContact CD2-CE2 3.63Å; L399-Y417 HydrophobicContact CD2-CG 4.34Å; L399-Y417 HydrophobicContact CG-CE2 4.15Å; L399-Y417 PolarHBondContact O-OH 3.32Å; L399-M420 HydrophobicContact CD1-CB 4.22Å; L399-M420 HydrophobicContact CD2-CB 4.41Å; L399-M420 HydrophobicContact CD2-CE 3.99Å; L399-M420 HydrophobicContact CD2-SD 3.99Å; L399-M420 HydrophobicContact CG-CE 4.42Å; L399-I421 HydrophobicContact CD1-CD1 4.46Å; L399-I421 HydrophobicContact CD1-CG1 3.78Å; L399-P459 HydrophobicContact CB-CB 3.77Å; L399-P459 HydrophobicContact CB-CG 4.03Å; L399-P459 HydrophobicContact CD1-CG 4.44Å
400T87.5Confident86Confident30 Ų3021.7 Ų21.718%0.18411%0.11CC..Hα-helixtrans-60.5-46.2176.7-550000111.7G396 R397 F398 N404G396-T400 WeakPolarHBondContact O-CB 3.26Å; G396-T400 PolarHBondContact O-N 2.48Å; G396-T400 VanDerWaalsContact O-N 3.07Å; G396-T400 PolarHBondContact O-OG1 3.46Å; R397-T400 PolarHBondContact O-N 3.34Å; F398-T400 VanDerWaalsContact C-N 3.32Å; F398-T400 PolarHBondContact O-N 3.5Å; T400-N404 PolarHBondContact O-N 2.89Å; T400-N404 PolarHBondContact O-ND2 2.67Å
401A83.5Confident85.2Confident5 Ų519.6 Ų19.64%0.04110%0.098CC..Hα-helixtrans-65.9-39.6179.500000112.2F353 A356 M357 R397 F398 L399F353-A401 HydrophobicContact CD2-CB 3.68Å; F353-A401 HydrophobicContact CE2-CB 3.82Å; A356-A401 HydrophobicContact CB-CB 3.95Å; M357-A401 HydrophobicContact CG-CB 4.43Å; M357-A401 HydrophobicContact SD-CB 3.83Å; R397-A401 WeakPolarHBondContact O-CB 3.44Å; R397-A401 PolarHBondContact O-N 2.98Å; F398-A401 PolarHBondContact O-N 2.93Å; L399-A401 PolarHBondContact O-N 3.25Å
402Y85Confident84.2Confident9 Ų925.8 Ų25.84%0.03513%0.131CC..Hα-helixtrans-68.3-42.3178-170.7-85.1000111.6L361 L372 F398 L399 N404 M405 F406 I410 W416L361-Y402 HydrophobicContact CD1-CD2 4.27Å; L361-Y402 HydrophobicContact CD1-CE2 4.41Å; L372-Y402 HydrophobicContact CD1-CD2 4.18Å; L372-Y402 HydrophobicContact CD1-CE1 3.98Å; L372-Y402 HydrophobicContact CD1-CE2 3.48Å; L372-Y402 VanDerWaalsContact CD1-CE2 3.48Å; L372-Y402 WeakPolarHBondContact CD1-OH 3.3Å; F398-Y402 AromaticContact CE2-CD2 3.88Å; F398-Y402 HydrophobicContact CE2-CD2 3.88Å; F398-Y402 HydrophobicContact CE2-CG 4.19Å; F398-Y402 AromaticContact CZ-CD2 3.97Å; F398-Y402 HydrophobicContact CZ-CD2 3.97Å; F398-Y402 HydrophobicContact CZ-CG 4.18Å; F398-Y402 WeakPolarHBondContact O-CB 3.43Å; F398-Y402 PolarHBondContact O-N 3.35Å; L399-Y402 PolarHBondContact O-N 3.14Å; Y402-N404 VanDerWaalsContact C-N 3.33Å; Y402-N404 PolarHBondContact O-N 3.22Å; Y402-M405 CarbonylContact O-C 2.99Å; Y402-M405 PolarHBondContact O-N 3.47Å; Y402-F406 HydrophobicContact CD1-CB 4.06Å; Y402-F406 HydrophobicContact CD1-CD2 4.26Å; Y402-F406 AromaticContact CD2-CD2 3.79Å; Y402-F406 HydrophobicContact CD2-CD2 3.79Å; Y402-F406 HydrophobicContact CD2-CE2 4.35Å; Y402-F406 HydrophobicContact CE1-CB 3.52Å; Y402-F406 AromaticContact CE1-CD2 3.91Å; Y402-F406 HydrophobicContact CE1-CD2 3.91Å; Y402-F406 HydrophobicContact CE1-CG 4.09Å; Y402-F406 AromaticContact CE2-CD2 3.4Å; Y402-F406 HydrophobicContact CE2-CD2 3.4Å; Y402-F406 VanDerWaalsContact CE2-CD2 3.4Å; Y402-F406 AromaticContact CE2-CE2 3.93Å; Y402-F406 HydrophobicContact CE2-CE2 3.93Å; Y402-F406 HydrophobicContact CE2-CG 4.29Å; Y402-F406 HydrophobicContact CG-CD2 4.19Å; Y402-F406 AromaticContact CZ-CD2 3.46Å; Y402-F406 VanDerWaalsContact CZ-CD2 3.46Å; Y402-F406 AromaticContact CZ-CG 3.88Å; Y402-F406 PolarHBondContact O-N 3.42Å; Y402-I410 HydrophobicContact CD1-CD1 4.05Å; Y402-I410 HydrophobicContact CD1-CG1 4.21Å; Y402-I410 HydrophobicContact CE1-CD1 4.42Å; Y402-I410 HydrophobicContact CE1-CG1 4.09Å; Y402-W416 AromaticContact CD1-CH2 3.75Å; Y402-W416 HydrophobicContact CD1-CH2 3.75Å; Y402-W416 AromaticContact CD1-CZ2 3.86Å; Y402-W416 HydrophobicContact CD1-CZ2 3.86Å; Y402-W416 AromaticContact CE1-CH2 3.84Å; Y402-W416 HydrophobicContact CE1-CH2 3.84Å; Y402-W416 AromaticContact CE1-CZ2 3.52Å; Y402-W416 HydrophobicContact CE1-CZ2 3.52Å; Y402-W416 HydrophobicContact CG-CH2 4.29Å
403E83.6Confident83.4Confident1 Ų127.6 Ų27.61%0.00514%0.143CC..Hα-helixtrans-60.4-41.5177.3-175.5-173.7156.600112.5L399 M405 F406 R407 I410 Y417 A462 L463L399-E403 VanDerWaalsContact O-CB 3.3Å; L399-E403 WeakPolarHBondContact O-CB 3.29Å; L399-E403 PolarHBondContact O-N 2.75Å; E403-M405 PolarHBondContact O-N 3.26Å; E403-F406 PolarHBondContact O-N 3.04Å; E403-R407 HydrophobicContact CG-CG 4.35Å; E403-R407 WeakPolarHBondContact O-CB 3.47Å; E403-R407 PolarHBondContact O-N 2.86Å; E403-R407 IonicContact OE1-CZ 3.69Å; E403-R407 IonicContact OE1-NH1 3.68Å; E403-R407 PolarHBondContact OE1-NH1 3.07Å; E403-I410 HydrophobicContact CB-CD1 3.79Å; E403-I410 HydrophobicContact CG-CD1 3.93Å; E403-Y417 HydrophobicContact CB-CE2 4.26Å; E403-Y417 PolarHBondContact OE2-OH 2.79Å; E403-A462 WeakPolarHBondContact OE1-CA 3.26Å; E403-A462 WeakPolarHBondContact OE1-CB 3.2Å; E403-A462 VanDerWaalsContact OE1-O 3.04Å; E403-A462 WeakPolarHBondContact OE2-CB 3.48Å; E403-L463 HydrophobicContact CG-CD2 4.14Å; E403-L463 WeakPolarHBondContact OE1-CA 3.45Å; E403-L463 PolarHBondContact OE1-N 3.33Å
404N74.9Confident83Confident63 Ų6326.4 Ų26.434%0.33714%0.137SC..Hα-helixtrans-61.6-14176.2-68.6-18.3000113.8V250 T400 Y402V250-N404 HydrophobicContact CG2-CB 4.05Å; T400-N404 PolarHBondContact O-N 2.89Å; T400-N404 PolarHBondContact O-ND2 2.67Å; Y402-N404 VanDerWaalsContact C-N 3.33Å; Y402-N404 PolarHBondContact O-N 3.22Å
405M73.5Confident82.6Confident10 Ų1030.5 Ų30.55%0.04916%0.157CC..Hα-helixtrans-116.9-15.2-177.8-66.7179.569.200114.4D99 A356 R359 L361 L362 Y402 E403D99-M405 WeakPolarHBondContact CA-O 3.42Å; D99-M405 VanDerWaalsContact OD1-C 3.28Å; A356-M405 WeakPolarHBondContact CA-SD 3.4Å; A356-M405 HydrophobicContact CB-SD 3.73Å; R359-M405 HydrophobicContact CB-CE 4.16Å; R359-M405 HydrophobicContact CG-CE 4.01Å; L361-M405 HydrophobicContact CB-CE 4.33Å; L362-M405 HydrophobicContact CD1-CE 3.79Å; L362-M405 HydrophobicContact CD2-CE 4.08Å; L362-M405 HydrophobicContact CG-CE 3.47Å; L362-M405 VanDerWaalsContact CG-CE 3.47Å; Y402-M405 CarbonylContact O-C 2.99Å; Y402-M405 PolarHBondContact O-N 3.47Å; E403-M405 PolarHBondContact O-N 3.26Å
406F78.1Confident82.3Confident4 Ų431.1 Ų31.12%0.01816%0.16CC..Hα-helixtrans-148.336.7-169-64.9-57000110.8D99 L361 L362 Q367 Y402 E403 S408 S409 I410D99-F406 VanDerWaalsContact CG-CA 3.47Å; D99-F406 WeakPolarHBondContact O-CE1 3.31Å; D99-F406 VanDerWaalsContact OD1-CA 3.24Å; D99-F406 WeakPolarHBondContact OD1-CA 3.43Å; D99-F406 PolarHBondContact OD1-N 3.03Å; L361-F406 HydrophobicContact CB-CE2 3.87Å; L361-F406 HydrophobicContact CB-CZ 4Å; L361-F406 HydrophobicContact CD1-CE2 4.05Å; L362-F406 HydrophobicContact CD2-CD1 4.47Å; L362-F406 HydrophobicContact CD2-CE1 3.43Å; L362-F406 VanDerWaalsContact CD2-CE1 3.43Å; L362-F406 HydrophobicContact CD2-CZ 3.55Å; L362-F406 HydrophobicContact CG-CZ 4.24Å; Q367-F406 HydrophobicContact CG-CD1 3.65Å; Q367-F406 HydrophobicContact CG-CE1 3.52Å; Q367-F406 HydrophobicContact CG-CG 4.47Å; Q367-F406 HydrophobicContact CG-CZ 4.24Å; Y402-F406 HydrophobicContact CD1-CB 4.06Å; Y402-F406 HydrophobicContact CD1-CD2 4.26Å; Y402-F406 AromaticContact CD2-CD2 3.79Å; Y402-F406 HydrophobicContact CD2-CD2 3.79Å; Y402-F406 HydrophobicContact CD2-CE2 4.35Å; Y402-F406 HydrophobicContact CE1-CB 3.52Å; Y402-F406 AromaticContact CE1-CD2 3.91Å; Y402-F406 HydrophobicContact CE1-CD2 3.91Å; Y402-F406 HydrophobicContact CE1-CG 4.09Å; Y402-F406 AromaticContact CE2-CD2 3.4Å; Y402-F406 HydrophobicContact CE2-CD2 3.4Å; Y402-F406 VanDerWaalsContact CE2-CD2 3.4Å; Y402-F406 AromaticContact CE2-CE2 3.93Å; Y402-F406 HydrophobicContact CE2-CE2 3.93Å; Y402-F406 HydrophobicContact CE2-CG 4.29Å; Y402-F406 HydrophobicContact CG-CD2 4.19Å; Y402-F406 AromaticContact CZ-CD2 3.46Å; Y402-F406 VanDerWaalsContact CZ-CD2 3.46Å; Y402-F406 AromaticContact CZ-CG 3.88Å; Y402-F406 PolarHBondContact O-N 3.42Å; E403-F406 PolarHBondContact O-N 3.04Å; F406-S408 PolarHBondContact O-N 3.49Å; F406-S409 WeakPolarHBondContact O-CB 3.41Å; F406-S409 PolarHBondContact O-N 3.25Å; F406-I410 WeakPolarHBondContact O-CG1 3.38Å; F406-I410 PolarHBondContact O-N 3.42Å
407R76.9Confident82.2Confident48 Ų4831 Ų3118%0.18116%0.159CC..Hα-helixtrans-60.3-48.8-173.3-165.5-168.7177.5781.8111.7D99 E403 S409 I410 F411 A462 L463D99-R407 VanDerWaalsContact CG-N 3.35Å; D99-R407 PolarHBondContact OD1-N 2.9Å; D99-R407 PolarHBondContact OD2-N 3.46Å; E403-R407 HydrophobicContact CG-CG 4.35Å; E403-R407 WeakPolarHBondContact O-CB 3.47Å; E403-R407 PolarHBondContact O-N 2.86Å; E403-R407 IonicContact OE1-CZ 3.69Å; E403-R407 IonicContact OE1-NH1 3.68Å; E403-R407 PolarHBondContact OE1-NH1 3.07Å; R407-S409 VanDerWaalsContact C-N 3.27Å; R407-S409 PolarHBondContact O-N 3.48Å; R407-I410 WeakPolarHBondContact O-CB 3.28Å; R407-I410 PolarHBondContact O-N 3.11Å; R407-F411 HydrophobicContact CG-CD2 4.19Å; R407-F411 HydrophobicContact CG-CE2 3.53Å; R407-F411 HydrophobicContact CG-CZ 4.11Å; R407-F411 VanDerWaalsContact O-CD2 3.24Å; R407-F411 WeakPolarHBondContact O-CD2 3.45Å; R407-F411 PolarHBondContact O-N 2.97Å; R407-A462 PolarHBondContact NH1-O 3.27Å; R407-A462 PolarHBondContact NH2-O 2.97Å; R407-L463 PolarHBondContact NH2-O 3.49Å
408S71.2Confident82.4Confident51 Ų5127.1 Ų27.136%0.35714%0.144SC..Hα-helixtrans-63-36.2176.975.10000111.5D99 F406 F411 N412D99-S408 WeakPolarHBondContact OD2-CA 3.44Å; D99-S408 WeakPolarHBondContact OD2-CB 3.42Å; D99-S408 PolarHBondContact OD2-N 3.4Å; D99-S408 PolarHBondContact OD2-OG 2.9Å; F406-S408 PolarHBondContact O-N 3.49Å; S408-F411 PolarHBondContact O-N 3.06Å; S408-N412 VanDerWaalsContact O-CG 3.27Å; S408-N412 PolarHBondContact O-N 3.16Å; S408-N412 PolarHBondContact O-ND2 3.05Å
409S75.9Confident82.5Confident18 Ų1829.9 Ų29.913%0.12616%0.157CC..Hα-helixtrans-67.2-36.6176.1-45.80000112.2Q367 F406 R407 N412 S413Q367-S409 PolarHBondContact NE2-OG 3.21Å; Q367-S409 PolarHBondContact OE1-OG 2.88Å; F406-S409 WeakPolarHBondContact O-CB 3.41Å; F406-S409 PolarHBondContact O-N 3.25Å; R407-S409 VanDerWaalsContact C-N 3.27Å; R407-S409 PolarHBondContact O-N 3.48Å; S409-N412 PolarHBondContact O-N 3.17Å; S409-S413 PolarHBondContact O-N 2.9Å
410I80.5Confident82.6Confident0 Ų030 Ų300%016%0.158CC..Hα-helixtrans-62.3-46.4169.9-64.9162.2000109.5Y402 E403 F406 R407 N412 S413 P414 W416 Y417 L463Y402-I410 HydrophobicContact CD1-CD1 4.05Å; Y402-I410 HydrophobicContact CD1-CG1 4.21Å; Y402-I410 HydrophobicContact CE1-CD1 4.42Å; Y402-I410 HydrophobicContact CE1-CG1 4.09Å; E403-I410 HydrophobicContact CB-CD1 3.79Å; E403-I410 HydrophobicContact CG-CD1 3.93Å; F406-I410 WeakPolarHBondContact O-CG1 3.38Å; F406-I410 PolarHBondContact O-N 3.42Å; R407-I410 WeakPolarHBondContact O-CB 3.28Å; R407-I410 PolarHBondContact O-N 3.11Å; I410-N412 VanDerWaalsContact C-N 3.3Å; I410-N412 PolarHBondContact O-N 3.31Å; I410-S413 CarbonylContact O-C 3.56Å; I410-S413 PolarHBondContact O-N 3.13Å; I410-P414 HydrophobicContact CG2-CB 4.44Å; I410-P414 WeakPolarHBondContact O-CA 3.22Å; I410-P414 WeakPolarHBondContact O-CB 3.31Å; I410-P414 WeakPolarHBondContact O-CD 3.48Å; I410-W416 HydrophobicContact CG1-CZ2 4.17Å; I410-Y417 HydrophobicContact CD1-CD2 3.61Å; I410-Y417 HydrophobicContact CD1-CE2 3.57Å; I410-Y417 HydrophobicContact CD1-CG 4.32Å; I410-Y417 HydrophobicContact CG1-CD2 3.96Å; I410-Y417 HydrophobicContact CG1-CE2 4.42Å; I410-Y417 HydrophobicContact CG1-CG 4.44Å; I410-Y417 HydrophobicContact CG2-CD1 4.24Å; I410-Y417 HydrophobicContact CG2-CD2 4.23Å; I410-Y417 HydrophobicContact CG2-CG 3.88Å; I410-L463 HydrophobicContact CG2-CD2 3.91Å
411F78.2Confident83Confident30 Ų3028.6 Ų28.613%0.13215%0.149CC..Hα-helixtrans-64.2-32.4179.4-66.9-50.5000113.8R407 S408 S413 L463 V470 E473 M474R407-F411 HydrophobicContact CG-CD2 4.19Å; R407-F411 HydrophobicContact CG-CE2 3.53Å; R407-F411 HydrophobicContact CG-CZ 4.11Å; R407-F411 VanDerWaalsContact O-CD2 3.24Å; R407-F411 WeakPolarHBondContact O-CD2 3.45Å; R407-F411 PolarHBondContact O-N 2.97Å; S408-F411 PolarHBondContact O-N 3.06Å; F411-S413 PolarHBondContact O-N 3.49Å; F411-L463 HydrophobicContact CE1-CD2 4.25Å; F411-L463 HydrophobicContact CZ-CD2 4.47Å; F411-L463 WeakPolarHBondContact CZ-O 3.45Å; F411-V470 HydrophobicContact CD1-CB 4.01Å; F411-V470 HydrophobicContact CD1-CG1 3.86Å; F411-V470 HydrophobicContact CD2-CG1 3.72Å; F411-V470 HydrophobicContact CE1-CB 3.95Å; F411-V470 HydrophobicContact CE1-CG1 3.8Å; F411-V470 HydrophobicContact CE1-CG2 4.08Å; F411-V470 HydrophobicContact CE2-CG1 3.63Å; F411-V470 HydrophobicContact CG-CB 4.42Å; F411-V470 HydrophobicContact CG-CG1 3.85Å; F411-V470 HydrophobicContact CZ-CB 4.29Å; F411-V470 HydrophobicContact CZ-CG1 3.7Å; F411-V470 HydrophobicContact CZ-CG2 4.32Å; F411-E473 WeakPolarHBondContact O-CG 3.34Å; F411-M474 HydrophobicContact CD1-CE 3.57Å; F411-M474 HydrophobicContact CE1-CE 3.64Å
412N74.8Confident83.6Confident131 Ų13128.4 Ų28.470%0.70115%0.147SC*.Hα-helixtrans-68.3-23.7174.1-68.8-30.8000113S408 S409 I410S408-N412 VanDerWaalsContact O-CG 3.27Å; S408-N412 PolarHBondContact O-N 3.16Å; S408-N412 PolarHBondContact O-ND2 3.05Å; S409-N412 PolarHBondContact O-N 3.17Å; I410-N412 VanDerWaalsContact C-N 3.3Å; I410-N412 PolarHBondContact O-N 3.31Å
413S79.4Confident84.1Confident37 Ų3729 Ų2926%0.25915%0.151SC..SBendtrans-154.575.4176.7-162.90000111.5S409 I410 F411 H415 W416S409-S413 PolarHBondContact O-N 2.9Å; I410-S413 CarbonylContact O-C 3.56Å; I410-S413 PolarHBondContact O-N 3.13Å; F411-S413 PolarHBondContact O-N 3.49Å; S413-H415 PolarHBondContact O-N 3.22Å; S413-W416 VanDerWaalsContact O-CD1 3.27Å; S413-W416 PolarHBondContact O-NE1 3.24Å
414P85.4Confident84.7Confident1 Ų128.9 Ų28.91%0.00615%0.151CC..THydrogen-bonded Turntrans-77.2-11-168.728.6-35.6000113.3I410 W416 Y417 L418 M474 A477I410-P414 HydrophobicContact CG2-CB 4.44Å; I410-P414 WeakPolarHBondContact O-CA 3.22Å; I410-P414 WeakPolarHBondContact O-CB 3.31Å; I410-P414 WeakPolarHBondContact O-CD 3.48Å; P414-W416 PolarHBondContact O-N 3.46Å; P414-Y417 PolarHBondContact O-N 2.95Å; P414-L418 HydrophobicContact CB-CD1 4.11Å; P414-L418 HydrophobicContact CB-CG 4.36Å; P414-L418 WeakPolarHBondContact O-CB 3.41Å; P414-L418 WeakPolarHBondContact O-CG 3.48Å; P414-L418 PolarHBondContact O-N 2.91Å; P414-M474 HydrophobicContact CB-CE 4.02Å; P414-M474 HydrophobicContact CB-SD 4.44Å; P414-A477 HydrophobicContact CB-CB 4.36Å; P414-A477 HydrophobicContact CG-CB 3.53Å
415H87.1Confident85.7Confident115 Ų11525.9 Ų25.953%0.53214%0.135SC..Hα-helixtrans-57.3-46.1-169.2-62.3-62.8000114S413 Q419S413-H415 PolarHBondContact O-N 3.22Å; H415-Q419 WeakPolarHBondContact O-CB 3.24Å; H415-Q419 PolarHBondContact O-N 3.44Å
416W87.3Confident86.7Confident14 Ų1426.8 Ų26.85%0.05314%0.139CC..Hα-helixtrans-67.5-38.6-179.172.7-88.7000111.5L372 F398 L399 Y402 I410 S413 P414 Q419 M420L372-W416 HydrophobicContact CB-CD2 3.99Å; L372-W416 HydrophobicContact CB-CE3 3.7Å; L372-W416 HydrophobicContact CB-CH2 4.34Å; L372-W416 HydrophobicContact CB-CZ3 3.89Å; L372-W416 HydrophobicContact CD1-CD2 4.3Å; L372-W416 HydrophobicContact CD1-CE3 4.27Å; L372-W416 HydrophobicContact CD1-CH2 3.43Å; L372-W416 VanDerWaalsContact CD1-CH2 3.43Å; L372-W416 HydrophobicContact CD1-CZ2 3.47Å; L372-W416 VanDerWaalsContact CD1-CZ2 3.47Å; L372-W416 HydrophobicContact CD1-CZ3 3.86Å; L372-W416 HydrophobicContact CG-CH2 4.41Å; L372-W416 HydrophobicContact CG-CZ3 4.39Å; F398-W416 HydrophobicContact CE1-CZ3 4.3Å; L399-W416 HydrophobicContact CD2-CH2 4.26Å; L399-W416 HydrophobicContact CD2-CZ3 3.86Å; Y402-W416 AromaticContact CD1-CH2 3.75Å; Y402-W416 HydrophobicContact CD1-CH2 3.75Å; Y402-W416 AromaticContact CD1-CZ2 3.86Å; Y402-W416 HydrophobicContact CD1-CZ2 3.86Å; Y402-W416 AromaticContact CE1-CH2 3.84Å; Y402-W416 HydrophobicContact CE1-CH2 3.84Å; Y402-W416 AromaticContact CE1-CZ2 3.52Å; Y402-W416 HydrophobicContact CE1-CZ2 3.52Å; Y402-W416 HydrophobicContact CG-CH2 4.29Å; I410-W416 HydrophobicContact CG1-CZ2 4.17Å; S413-W416 VanDerWaalsContact O-CD1 3.27Å; S413-W416 PolarHBondContact O-NE1 3.24Å; P414-W416 PolarHBondContact O-N 3.46Å; W416-Q419 PolarHBondContact O-N 3.15Å; W416-M420 HydrophobicContact CE3-SD 3.8Å; W416-M420 HydrophobicContact CZ3-SD 3.73Å; W416-M420 WeakPolarHBondContact O-CG 3.45Å; W416-M420 PolarHBondContact O-N 2.86Å
417Y91.2Very high87.5Confident0 Ų027 Ų270%014%0.142CC..Hα-helixtrans-66.9-49.1-179.4-169.7-86.3000110.4L399 E403 I410 P414 Q419 M420 I421 P459 L463L399-Y417 HydrophobicContact CB-CE2 3.73Å; L399-Y417 HydrophobicContact CD2-CD2 3.65Å; L399-Y417 HydrophobicContact CD2-CE2 3.63Å; L399-Y417 HydrophobicContact CD2-CG 4.34Å; L399-Y417 HydrophobicContact CG-CE2 4.15Å; L399-Y417 PolarHBondContact O-OH 3.32Å; E403-Y417 HydrophobicContact CB-CE2 4.26Å; E403-Y417 PolarHBondContact OE2-OH 2.79Å; I410-Y417 HydrophobicContact CD1-CD2 3.61Å; I410-Y417 HydrophobicContact CD1-CE2 3.57Å; I410-Y417 HydrophobicContact CD1-CG 4.32Å; I410-Y417 HydrophobicContact CG1-CD2 3.96Å; I410-Y417 HydrophobicContact CG1-CE2 4.42Å; I410-Y417 HydrophobicContact CG1-CG 4.44Å; I410-Y417 HydrophobicContact CG2-CD1 4.24Å; I410-Y417 HydrophobicContact CG2-CD2 4.23Å; I410-Y417 HydrophobicContact CG2-CG 3.88Å; P414-Y417 PolarHBondContact O-N 2.95Å; Y417-Q419 VanDerWaalsContact C-N 3.31Å; Y417-Q419 PolarHBondContact O-N 2.98Å; Y417-M420 PolarHBondContact O-N 3.46Å; Y417-I421 HydrophobicContact CD1-CD1 3.72Å; Y417-I421 HydrophobicContact CE1-CD1 3.58Å; Y417-I421 PolarHBondContact O-N 3.26Å; Y417-P459 HydrophobicContact CE1-CB 4.43Å; Y417-P459 WeakPolarHBondContact OH-CB 3.19Å; Y417-L463 HydrophobicContact CD1-CD1 3.76Å; Y417-L463 HydrophobicContact CD1-CD2 4.41Å; Y417-L463 HydrophobicContact CD1-CG 4.41Å; Y417-L463 HydrophobicContact CE1-CD1 3.58Å; Y417-L463 HydrophobicContact CE1-CD2 3.99Å; Y417-L463 HydrophobicContact CE1-CG 3.83Å
418L92.9Very high88.4Confident2 Ų224.8 Ų24.81%0.0113%0.134CC..Hα-helixtrans-65.1-33.8174.9-66.4178.4000112P414 I421 T422 F460 L463 M474 A477 I478 P481P414-L418 HydrophobicContact CB-CD1 4.11Å; P414-L418 HydrophobicContact CB-CG 4.36Å; P414-L418 WeakPolarHBondContact O-CB 3.41Å; P414-L418 WeakPolarHBondContact O-CG 3.48Å; P414-L418 PolarHBondContact O-N 2.91Å; L418-I421 PolarHBondContact O-N 3.31Å; L418-T422 VanDerWaalsContact O-CB 3.31Å; L418-T422 WeakPolarHBondContact O-CB 3.38Å; L418-T422 PolarHBondContact O-N 3.33Å; L418-T422 PolarHBondContact O-OG1 3.39Å; L418-F460 HydrophobicContact CD2-CD2 4.47Å; L418-F460 HydrophobicContact CD2-CE2 4.48Å; L418-L463 HydrophobicContact CD2-CD1 4.14Å; L418-M474 HydrophobicContact CD1-SD 3.9Å; L418-M474 HydrophobicContact CD2-SD 4.46Å; L418-A477 HydrophobicContact CD1-CB 3.74Å; L418-I478 HydrophobicContact CD1-CG1 4.24Å; L418-P481 HydrophobicContact CB-CG 3.97Å; L418-P481 HydrophobicContact CD1-CG 4.45Å
419Q93.4Very high89.4Confident59 Ų5922.3 Ų22.328%0.27612%0.117SC..Hα-helixtrans-65.6-44175.5-171.964.345.200111.2T376 H415 W416 Y417 I421 T422 D423T376-Q419 HydrophobicContact CG2-CB 4Å; T376-Q419 HydrophobicContact CG2-CG 3.97Å; H415-Q419 WeakPolarHBondContact O-CB 3.24Å; H415-Q419 PolarHBondContact O-N 3.44Å; W416-Q419 PolarHBondContact O-N 3.15Å; Y417-Q419 VanDerWaalsContact C-N 3.31Å; Y417-Q419 PolarHBondContact O-N 2.98Å; Q419-I421 VanDerWaalsContact C-N 3.31Å; Q419-I421 PolarHBondContact O-N 2.95Å; Q419-T422 WeakPolarHBondContact O-CB 3.26Å; Q419-T422 PolarHBondContact O-N 3.32Å; Q419-T422 VanDerWaalsContact O-N 3.12Å; Q419-D423 PolarHBondContact NE2-OD1 2.71Å; Q419-D423 WeakPolarHBondContact O-CB 3.26Å; Q419-D423 PolarHBondContact O-N 3.4Å
420M94.9Very high90Very high2 Ų224.2 Ų24.21%0.0113%0.125CC..Hα-helixtrans-60.9-39.7176.2-72.6-177.160.900112.4L349 F375 T376 T395 F398 L399 W416 Y417 A424L349-M420 HydrophobicContact CD2-CE 4.38Å; F375-M420 HydrophobicContact CB-CE 3.54Å; F375-M420 HydrophobicContact CB-CG 4.45Å; F375-M420 HydrophobicContact CB-SD 3.64Å; F375-M420 HydrophobicContact CG-CE 4.3Å; T376-M420 HydrophobicContact CG2-CG 3.87Å; T395-M420 HydrophobicContact CG2-CE 3.77Å; F398-M420 HydrophobicContact CD1-CE 4.03Å; F398-M420 HydrophobicContact CE1-CE 4.12Å; F398-M420 HydrophobicContact CE1-SD 4.42Å; L399-M420 HydrophobicContact CD1-CB 4.22Å; L399-M420 HydrophobicContact CD2-CB 4.41Å; L399-M420 HydrophobicContact CD2-CE 3.99Å; L399-M420 HydrophobicContact CD2-SD 3.99Å; L399-M420 HydrophobicContact CG-CE 4.42Å; W416-M420 HydrophobicContact CE3-SD 3.8Å; W416-M420 HydrophobicContact CZ3-SD 3.73Å; W416-M420 WeakPolarHBondContact O-CG 3.45Å; W416-M420 PolarHBondContact O-N 2.86Å; Y417-M420 PolarHBondContact O-N 3.46Å; M420-A424 PolarHBondContact O-N 3.46Å
421I95.5Very high90.4Very high0 Ų024.9 Ų24.90%013%0.128CC..Hα-helixtrans-61.4-49.6172.3-70.6168.7000110L399 Y417 L418 Q419 D423 A424 V425 I456 F460L399-I421 HydrophobicContact CD1-CD1 4.46Å; L399-I421 HydrophobicContact CD1-CG1 3.78Å; Y417-I421 HydrophobicContact CD1-CD1 3.72Å; Y417-I421 HydrophobicContact CE1-CD1 3.58Å; Y417-I421 PolarHBondContact O-N 3.26Å; L418-I421 PolarHBondContact O-N 3.31Å; Q419-I421 VanDerWaalsContact C-N 3.31Å; Q419-I421 PolarHBondContact O-N 2.95Å; I421-D423 PolarHBondContact O-N 2.9Å; I421-A424 PolarHBondContact O-N 3.29Å; I421-V425 HydrophobicContact CG2-CG2 4.39Å; I421-V425 VanDerWaalsContact O-CG2 3.22Å; I421-V425 WeakPolarHBondContact O-CG2 3.5Å; I421-V425 PolarHBondContact O-N 2.97Å; I421-I456 HydrophobicContact CB-CG2 4.14Å; I421-I456 HydrophobicContact CG1-CG2 4.16Å; I421-I456 HydrophobicContact CG2-CG2 3.71Å; I421-F460 HydrophobicContact CD1-CB 4.03Å; I421-F460 HydrophobicContact CD1-CD2 4.28Å
422T95.7Very high90.7Very high1 Ų124.2 Ų24.21%0.00613%0.127CC..Hα-helixtrans-61.3-45.4-178.1-57.70000111.7L418 Q419 A424 V425 I426 P481 I485L418-T422 VanDerWaalsContact O-CB 3.31Å; L418-T422 WeakPolarHBondContact O-CB 3.38Å; L418-T422 PolarHBondContact O-N 3.33Å; L418-T422 PolarHBondContact O-OG1 3.39Å; Q419-T422 WeakPolarHBondContact O-CB 3.26Å; Q419-T422 PolarHBondContact O-N 3.32Å; Q419-T422 VanDerWaalsContact O-N 3.12Å; T422-A424 VanDerWaalsContact C-N 3.32Å; T422-A424 PolarHBondContact O-N 2.96Å; T422-V425 PolarHBondContact O-N 3.31Å; T422-I426 HydrophobicContact CG2-CD1 3.68Å; T422-I426 HydrophobicContact CG2-CG1 4.3Å; T422-I426 WeakPolarHBondContact O-CB 3.43Å; T422-I426 WeakPolarHBondContact O-CG1 3.46Å; T422-I426 PolarHBondContact O-N 3.47Å; T422-P481 VanDerWaalsContact OG1-CB 3.27Å; T422-P481 WeakPolarHBondContact OG1-CB 3.36Å; T422-P481 WeakPolarHBondContact OG1-CG 3.32Å; T422-I485 HydrophobicContact CG2-CG1 4.49Å
423D95.8Very high90.6Very high21 Ų2119.1 Ų19.111%0.11211%0.106CC..Hα-helixtrans-58.4-44.4178.2-68-26.1000111.3T376 C377 P378 Y380 Q419 I421 A427T376-D423 WeakPolarHBondContact CA-OD2 3.41Å; C377-D423 PolarHBondContact N-OD2 3.43Å; P378-D423 HydrophobicContact CG-CB 4.47Å; Y380-D423 HydrophobicContact CE2-CB 4.37Å; Q419-D423 PolarHBondContact NE2-OD1 2.71Å; Q419-D423 WeakPolarHBondContact O-CB 3.26Å; Q419-D423 PolarHBondContact O-N 3.4Å; I421-D423 PolarHBondContact O-N 2.9Å; D423-A427 WeakPolarHBondContact O-CB 3.36Å; D423-A427 PolarHBondContact O-N 3.03Å
424A96.6Very high90.1Very high0 Ų021.2 Ų21.20%011%0.11CC..Hα-helixtrans-66.4-44.2177.900000111.6Y380 V392 M420 I421 T422 A427 I428 I456Y380-A424 HydrophobicContact CE2-CB 4.18Å; V392-A424 HydrophobicContact CG1-CB 4.32Å; V392-A424 HydrophobicContact CG2-CB 4.36Å; M420-A424 PolarHBondContact O-N 3.46Å; I421-A424 PolarHBondContact O-N 3.29Å; T422-A424 VanDerWaalsContact C-N 3.32Å; T422-A424 PolarHBondContact O-N 2.96Å; A424-A427 PolarHBondContact O-N 3.36Å; A424-I428 VanDerWaalsContact O-CG1 3.23Å; A424-I428 WeakPolarHBondContact O-CG1 3.39Å; A424-I428 PolarHBondContact O-N 2.86Å; A424-I456 HydrophobicContact CB-CD1 3.81Å; A424-I456 HydrophobicContact CB-CG1 3.8Å
425V96.2Very high88.7Confident0 Ų021.8 Ų21.80%012%0.116CC..Hα-helixtrans-65.1-44.5-179.9175.70000111.5I421 T422 A427 I428 I429 M453 I456 I485 L530I421-V425 HydrophobicContact CG2-CG2 4.39Å; I421-V425 VanDerWaalsContact O-CG2 3.22Å; I421-V425 WeakPolarHBondContact O-CG2 3.5Å; I421-V425 PolarHBondContact O-N 2.97Å; T422-V425 PolarHBondContact O-N 3.31Å; V425-A427 VanDerWaalsContact C-N 3.32Å; V425-A427 PolarHBondContact O-N 3.43Å; V425-I428 WeakPolarHBondContact O-CB 3.46Å; V425-I428 PolarHBondContact O-N 3.23Å; V425-I429 HydrophobicContact CG1-CD1 4.05Å; V425-I429 WeakPolarHBondContact O-CG1 3.39Å; V425-I429 PolarHBondContact O-N 2.95Å; V425-M453 HydrophobicContact CG2-CE 4.22Å; V425-M453 HydrophobicContact CG2-SD 4.19Å; V425-I456 HydrophobicContact CG2-CG2 4.05Å; V425-I485 HydrophobicContact CB-CD1 4.28Å; V425-I485 HydrophobicContact CB-CG1 4.31Å; V425-I485 HydrophobicContact CG1-CD1 3.94Å; V425-I485 HydrophobicContact CG1-CG1 3.82Å; V425-I485 HydrophobicContact CG1-CG2 4.01Å; V425-L530 HydrophobicContact CB-CD1 4.34Å; V425-L530 HydrophobicContact CG1-CD1 4.04Å; V425-L530 HydrophobicContact CG2-CD1 3.39Å
426I94.7Very high87.1Confident28 Ų2821 Ų2114%0.14412%0.123CC..Hα-helixtrans-59-46.5175.3-72171.2000110.2T422 I428 I429 D430T422-I426 HydrophobicContact CG2-CD1 3.68Å; T422-I426 HydrophobicContact CG2-CG1 4.3Å; T422-I426 WeakPolarHBondContact O-CB 3.43Å; T422-I426 WeakPolarHBondContact O-CG1 3.46Å; T422-I426 PolarHBondContact O-N 3.47Å; I426-I428 VanDerWaalsContact C-N 3.31Å; I426-I428 PolarHBondContact O-N 2.71Å; I426-I429 PolarHBondContact O-N 2.97Å; I426-I429 VanDerWaalsContact O-N 3.16Å; I426-D430 WeakPolarHBondContact O-CB 3.46Å; I426-D430 PolarHBondContact O-N 3.46Å
427A94.2Very high85.7Confident10 Ų1028.7 Ų28.78%0.08316%0.157CC..Hα-helixtrans-65-33.6178.600000113.3Y380 F388 D423 A424 V425 R431Y380-A427 HydrophobicContact CD2-CB 3.47Å; Y380-A427 VanDerWaalsContact CD2-CB 3.47Å; Y380-A427 HydrophobicContact CE2-CB 4.45Å; Y380-A427 HydrophobicContact CG-CB 3.82Å; F388-A427 HydrophobicContact CE2-CB 3.62Å; F388-A427 HydrophobicContact CZ-CB 4.23Å; D423-A427 WeakPolarHBondContact O-CB 3.36Å; D423-A427 PolarHBondContact O-N 3.03Å; A424-A427 PolarHBondContact O-N 3.36Å; V425-A427 VanDerWaalsContact C-N 3.32Å; V425-A427 PolarHBondContact O-N 3.43Å; A427-R431 WeakPolarHBondContact O-CB 3.23Å; A427-R431 VanDerWaalsContact O-CG 3.31Å; A427-R431 WeakPolarHBondContact O-CG 3.44Å; A427-R431 PolarHBondContact O-N 3.23Å
428I94.5Very high84.4Confident0 Ų032.3 Ų32.30%017%0.174CC..Hα-helixtrans-61.8-48.3171.5-72.1165.9000110.2F388 A424 V425 I426 R431 S432 L449 C452 M453 L522F388-I428 HydrophobicContact CE1-CG1 4.41Å; F388-I428 HydrophobicContact CZ-CG1 3.8Å; A424-I428 VanDerWaalsContact O-CG1 3.23Å; A424-I428 WeakPolarHBondContact O-CG1 3.39Å; A424-I428 PolarHBondContact O-N 2.86Å; V425-I428 WeakPolarHBondContact O-CB 3.46Å; V425-I428 PolarHBondContact O-N 3.23Å; I426-I428 VanDerWaalsContact C-N 3.31Å; I426-I428 PolarHBondContact O-N 2.71Å; I428-R431 PolarHBondContact O-N 3.24Å; I428-S432 PolarHBondContact O-N 3.31Å; I428-L449 HydrophobicContact CG2-CB 4.17Å; I428-L449 HydrophobicContact CG2-CD2 4.31Å; I428-C452 HydrophobicContact CD1-CB 3.75Å; I428-C452 HydrophobicContact CG1-CB 3.99Å; I428-M453 HydrophobicContact CD1-CB 4.22Å; I428-M453 HydrophobicContact CD1-SD 4.07Å; I428-L522 HydrophobicContact CG2-CD1 3.95Å; I428-L522 HydrophobicContact CG2-CD2 3.88Å; I428-L522 HydrophobicContact CG2-CG 4.39Å
429I92.4Very high83.2Confident0 Ų039.8 Ų39.80%021%0.214CC..Hα-helixtrans-60.4-51.5178.1-66.6166.5000110.1V425 I426 R431 S432 G433 I485 H488 C492 I518 I526V425-I429 HydrophobicContact CG1-CD1 4.05Å; V425-I429 WeakPolarHBondContact O-CG1 3.39Å; V425-I429 PolarHBondContact O-N 2.95Å; I426-I429 PolarHBondContact O-N 2.97Å; I426-I429 VanDerWaalsContact O-N 3.16Å; I429-R431 VanDerWaalsContact C-N 3.25Å; I429-R431 PolarHBondContact O-N 3.36Å; I429-S432 WeakPolarHBondContact O-CB 3.22Å; I429-S432 PolarHBondContact O-N 3.41Å; I429-S432 VanDerWaalsContact O-N 3.1Å; I429-S432 PolarHBondContact O-OG 3.48Å; I429-G433 PolarHBondContact O-N 2.78Å; I429-I485 HydrophobicContact CD1-CG2 4.18Å; I429-H488 HydrophobicContact CD1-CB 4.25Å; I429-H488 HydrophobicContact CG2-CB 4.06Å; I429-C492 WeakPolarHBondContact CG2-SG 3.22Å; I429-I518 HydrophobicContact CG1-CD1 4.38Å; I429-I526 HydrophobicContact CD1-CD1 4.21Å; I429-I526 HydrophobicContact CG1-CD1 3.74Å
430D89.1Confident82.4Confident58 Ų5838.8 Ų38.831%0.3121%0.21SC..Hα-helixtrans-61.2-33.4-178.4-76.3-10.1000113.2I426 G433 K434 H488I426-D430 WeakPolarHBondContact O-CB 3.46Å; I426-D430 PolarHBondContact O-N 3.46Å; D430-G433 PolarHBondContact O-N 3.12Å; D430-K434 WeakPolarHBondContact O-CG 3.42Å; D430-H488 IonicContact OD1-CD2 3.45Å; D430-H488 PolarHBondContact OD1-CD2 2.9Å
431R88.1Confident81.8Confident13 Ų1341.9 Ų41.95%0.04923%0.23CC..Hα-helixtrans-76.3-30.9177.1-78.5-176.1174.9-109.8-0.7113.2Y380 M383 F388 A427 I428 I429 G433 K434 G435 L449Y380-R431 PolarHBondContact O-NH2 3Å; M383-R431 PolarHBondContact O-NH2 3.25Å; F388-R431 VanDerWaalsContact CB-CZ 3.46Å; F388-R431 VanDerWaalsContact CD1-CD 3.48Å; A427-R431 WeakPolarHBondContact O-CB 3.23Å; A427-R431 VanDerWaalsContact O-CG 3.31Å; A427-R431 WeakPolarHBondContact O-CG 3.44Å; A427-R431 PolarHBondContact O-N 3.23Å; I428-R431 PolarHBondContact O-N 3.24Å; I429-R431 VanDerWaalsContact C-N 3.25Å; I429-R431 PolarHBondContact O-N 3.36Å; R431-G433 PolarHBondContact O-N 3.38Å; R431-K434 PolarHBondContact O-N 3.22Å; R431-G435 PolarHBondContact O-N 3.32Å; R431-L449 HydrophobicContact CB-CD2 4.08Å
432S86.1Confident81Confident16 Ų1646.5 Ų46.511%0.11226%0.263CS..Hα-helixtrans-56.7-35.417179.40000111.1I428 I429 K434I428-S432 PolarHBondContact O-N 3.31Å; I429-S432 WeakPolarHBondContact O-CB 3.22Å; I429-S432 PolarHBondContact O-N 3.41Å; I429-S432 VanDerWaalsContact O-N 3.1Å; I429-S432 PolarHBondContact O-OG 3.48Å; S432-K434 PolarHBondContact O-N 3.23Å
433G72.8Confident80.4Confident25 Ų2552.8 Ų52.826%0.25830%0.297SS..THydrogen-bonded Turntrans-75.5-12.2175.600000116.1I429 D430 R431 A516I429-G433 PolarHBondContact O-N 2.78Å; D430-G433 PolarHBondContact O-N 3.12Å; R431-G433 PolarHBondContact O-N 3.38Å; G433-A516 VanDerWaalsContact C-CB 3.4Å; G433-A516 WeakPolarHBondContact O-CB 3.5Å
434K67.9Low79.9Confident81 Ų8157.4 Ų57.435%0.35232%0.317SS..THydrogen-bonded Turntrans-107.5-2.5-173.5-72176-175.2170.70113.9D430 R431 S432 S436 K437D430-K434 WeakPolarHBondContact O-CG 3.42Å; R431-K434 PolarHBondContact O-N 3.22Å; S432-K434 PolarHBondContact O-N 3.23Å; K434-S436 PolarHBondContact O-N 3.38Å; K434-S436 VanDerWaalsContact O-N 3.1Å; K434-K437 WeakPolarHBondContact O-CB 3.31Å; K434-K437 PolarHBondContact O-N 3.43Å
435G57.2Low79.5Confident12 Ų1258 Ų5812%0.12432%0.32CS..G310 helixtrans-51.6-37.6-173.900000114.7R431 K437 Q438R431-G435 PolarHBondContact O-N 3.32Å; G435-K437 PolarHBondContact O-N 2.86Å; G435-K437 VanDerWaalsContact O-N 3.09Å; G435-Q438 PolarHBondContact O-N 3.2Å; G435-Q438 VanDerWaalsContact O-N 3.15Å
436S52.1Low79Confident99 Ų9959.2 Ų59.269%0.69233%0.327SS*.G310 helixtrans-60.7-20.2177.458.20000114.3K434K434-S436 PolarHBondContact O-N 3.38Å; K434-S436 VanDerWaalsContact O-N 3.1Å
437K58.9Low78.8Confident175 Ų17563.8 Ų63.876%0.76135%0.348SS*.G310 helixtrans-90.2-16.7179.6-65.1-176.3177.7179.50114.2K434 G435K434-K437 WeakPolarHBondContact O-CB 3.31Å; K434-K437 PolarHBondContact O-N 3.43Å; G435-K437 PolarHBondContact O-N 2.86Å; G435-K437 VanDerWaalsContact O-N 3.09Å
438Q63Low78.6Confident76 Ų7665.1 Ų65.136%0.35535%0.353SS..THydrogen-bonded Turntrans-105.35.1-169.7-67.3-172.3-2.900114.3G435 I440G435-Q438 PolarHBondContact O-N 3.2Å; G435-Q438 VanDerWaalsContact O-N 3.15Å; Q438-I440 HydrophobicContact CB-CD1 4.01Å; Q438-I440 HydrophobicContact CB-CG1 4.02Å; Q438-I440 PolarHBondContact O-N 3.34Å; Q438-I440 VanDerWaalsContact O-N 3.16Å
439N68.3Low78.5Confident159 Ų15965.2 Ų65.285%0.8535%0.354SS*.THydrogen-bonded Turntrans53.827.8-176.3-66.3-15.7000113.9
440I76.9Confident78.4Confident38 Ų3865.5 Ų65.520%0.19536%0.356CS..  trans-95.4129.1175.8-54.2175.6000107.6I385 Q438 S442 Q444 L445I385-I440 HydrophobicContact CB-CD1 3.93Å; I385-I440 HydrophobicContact CD1-CD1 4.45Å; I385-I440 HydrophobicContact CG1-CD1 3.73Å; I385-I440 HydrophobicContact CG2-CD1 3.78Å; Q438-I440 HydrophobicContact CB-CD1 4.01Å; Q438-I440 HydrophobicContact CB-CG1 4.02Å; Q438-I440 PolarHBondContact O-N 3.34Å; Q438-I440 VanDerWaalsContact O-N 3.16Å; I440-S442 PolarHBondContact O-N 2.68Å; I440-Q444 HydrophobicContact CG2-CB 4.05Å; I440-L445 HydrophobicContact CG2-CB 4.06Å
441P80.8Confident78.5Confident67 Ų6764.9 Ų64.944%0.43536%0.356SS..  trans-53.1138.2171.9-24.333.6000111.1D443 Q444 L445P441-D443 PolarHBondContact O-N 2.84Å; P441-Q444 HydrophobicContact CB-CB 4.42Å; P441-Q444 HydrophobicContact CB-CG 4.26Å; P441-Q444 HydrophobicContact CG-CG 4.39Å; P441-Q444 PolarHBondContact O-N 2.92Å; P441-Q444 VanDerWaalsContact O-N 3.11Å; P441-L445 PolarHBondContact O-N 2.99Å
442S80Confident78.7Confident98 Ų9864.2 Ų64.269%0.68535%0.353SS*.Hα-helixtrans-54.8-39.3-175.5-168.80000112.6I440 L445 D446I440-S442 PolarHBondContact O-N 2.68Å; S442-L445 PolarHBondContact O-N 3.45Å; S442-D446 WeakPolarHBondContact O-CB 3.15Å; S442-D446 PolarHBondContact O-N 3.36Å
443D82.8Confident79.1Confident133 Ų13363.5 Ų63.571%0.71135%0.348SS*.Hα-helixtrans-67.2-41-179.5-57.9-30.1000112.4P441 D446 E447P441-D443 PolarHBondContact O-N 2.84Å; D443-D446 PolarHBondContact O-N 3.33Å; D443-E447 WeakPolarHBondContact O-CB 3.38Å; D443-E447 PolarHBondContact O-N 3.26Å
444Q86Confident80Confident118 Ų11863.6 Ų63.655%0.55135%0.346SS*.Hα-helixtrans-67.8-38.2177.1-69.4-177.60.100111.4I440 P441 L448I440-Q444 HydrophobicContact CG2-CB 4.05Å; P441-Q444 HydrophobicContact CB-CB 4.42Å; P441-Q444 HydrophobicContact CB-CG 4.26Å; P441-Q444 HydrophobicContact CG-CG 4.39Å; P441-Q444 PolarHBondContact O-N 2.92Å; P441-Q444 VanDerWaalsContact O-N 3.11Å; Q444-L448 WeakPolarHBondContact O-CB 3.35Å; Q444-L448 PolarHBondContact O-N 3.45Å; Q444-L448 VanDerWaalsContact O-N 3.1Å
445L87.1Confident81Confident11 Ų1160.3 Ų60.36%0.05834%0.335CS..Hα-helixtrans-65.6-44.3174.8-178.563.3000110.9I385 I440 P441 S442 L448 L449I385-L445 HydrophobicContact CD1-CD1 3.93Å; I440-L445 HydrophobicContact CG2-CB 4.06Å; P441-L445 PolarHBondContact O-N 2.99Å; S442-L445 PolarHBondContact O-N 3.45Å; L445-L448 PolarHBondContact O-N 3.49Å; L445-L449 HydrophobicContact CD1-CD1 4.04Å; L445-L449 HydrophobicContact CD1-CD2 4.48Å; L445-L449 HydrophobicContact CD1-CG 4.04Å; L445-L449 HydrophobicContact CG-CD1 3.92Å; L445-L449 HydrophobicContact CG-CG 4.27Å; L445-L449 WeakPolarHBondContact O-CB 3.5Å; L445-L449 VanDerWaalsContact O-CG 3.24Å; L445-L449 WeakPolarHBondContact O-CG 3.42Å; L445-L449 PolarHBondContact O-N 3.17Å
446D87Confident82.7Confident26 Ų2659.8 Ų59.814%0.13933%0.329CS..Hα-helixtrans-59.4-46.8177.5-175.863.3000112.2S442 D443 L448 L449 C450 S519 R521S442-D446 WeakPolarHBondContact O-CB 3.15Å; S442-D446 PolarHBondContact O-N 3.36Å; D443-D446 PolarHBondContact O-N 3.33Å; D446-L448 PolarHBondContact O-N 2.99Å; D446-L449 PolarHBondContact O-N 2.61Å; D446-C450 VanDerWaalsContact O-CB 3.3Å; D446-C450 WeakPolarHBondContact O-CB 3.45Å; D446-C450 PolarHBondContact O-N 3.06Å; D446-C450 PolarHBondContact O-SG 3.38Å; D446-S519 WeakPolarHBondContact OD1-CB 3.36Å; D446-S519 PolarHBondContact OD1-OG 3.17Å; D446-R521 WeakPolarHBondContact OD2-CD 3.39Å; D446-R521 IonicContact OD2-NH1 2.71Å
447E88.7Confident84.4Confident124 Ų12455.3 Ų55.358%0.57930%0.298SS*.Hα-helixtrans-61.2-43.5178.3-173.9177.1-172.800112.1D443 S451D443-E447 WeakPolarHBondContact O-CB 3.38Å; D443-E447 PolarHBondContact O-N 3.26Å; E447-S451 WeakPolarHBondContact O-CB 3.49Å; E447-S451 PolarHBondContact O-N 2.97Å; E447-S451 PolarHBondContact O-OG 3.16Å
448L90.5Very high85.6Confident39 Ų3953.3 Ų53.320%0.20429%0.285CS..Hα-helixtrans-62.3-48.6176.7-175.4155.8000111.2I385 Y389 Q444 L445 D446 S451 C452I385-L448 HydrophobicContact CD1-CD1 4.34Å; I385-L448 HydrophobicContact CD1-CD2 3.99Å; I385-L448 HydrophobicContact CG1-CD1 3.75Å; I385-L448 HydrophobicContact CG1-CD2 4.3Å; Y389-L448 HydrophobicContact CD2-CD1 4.29Å; Y389-L448 HydrophobicContact CD2-CD2 3.94Å; Y389-L448 HydrophobicContact CD2-CG 3.62Å; Y389-L448 HydrophobicContact CE2-CG 4.34Å; Y389-L448 HydrophobicContact CG-CD1 4.44Å; Y389-L448 HydrophobicContact CG-CD2 4.48Å; Y389-L448 HydrophobicContact CG-CG 4.22Å; Q444-L448 WeakPolarHBondContact O-CB 3.35Å; Q444-L448 PolarHBondContact O-N 3.45Å; Q444-L448 VanDerWaalsContact O-N 3.1Å; L445-L448 PolarHBondContact O-N 3.49Å; D446-L448 PolarHBondContact O-N 2.99Å; L448-S451 WeakPolarHBondContact O-CB 3.49Å; L448-S451 PolarHBondContact O-N 3.25Å; L448-C452 PolarHBondContact O-N 3.43Å; L448-C452 PolarHBondContact O-SG 3.44Å
449L92.3Very high86.8Confident2 Ų249.7 Ų49.71%0.0127%0.268CS..Hα-helixtrans-66.7-38.6-179.7-68.1-178.6000112.1F388 I428 R431 L445 D446 S451 C452 M453 L522F388-L449 HydrophobicContact CE1-CD2 3.88Å; I428-L449 HydrophobicContact CG2-CB 4.17Å; I428-L449 HydrophobicContact CG2-CD2 4.31Å; R431-L449 HydrophobicContact CB-CD2 4.08Å; L445-L449 HydrophobicContact CD1-CD1 4.04Å; L445-L449 HydrophobicContact CD1-CD2 4.48Å; L445-L449 HydrophobicContact CD1-CG 4.04Å; L445-L449 HydrophobicContact CG-CD1 3.92Å; L445-L449 HydrophobicContact CG-CG 4.27Å; L445-L449 WeakPolarHBondContact O-CB 3.5Å; L445-L449 VanDerWaalsContact O-CG 3.24Å; L445-L449 WeakPolarHBondContact O-CG 3.42Å; L445-L449 PolarHBondContact O-N 3.17Å; D446-L449 PolarHBondContact O-N 2.61Å; L449-S451 VanDerWaalsContact C-N 3.32Å; L449-S451 PolarHBondContact O-N 3.16Å; L449-C452 WeakPolarHBondContact O-CB 3.37Å; L449-C452 PolarHBondContact O-N 3.46Å; L449-M453 WeakPolarHBondContact O-CB 3.32Å; L449-M453 PolarHBondContact O-N 3.1Å; L449-L522 HydrophobicContact CB-CD1 4.49Å; L449-L522 HydrophobicContact CB-CD2 3.85Å; L449-L522 HydrophobicContact CD1-CD2 4Å
450C91Very high87.8Confident6 Ų642.1 Ų42.14%0.04123%0.228CC..Hα-helixtrans-62.8-38.6172.2-74.10000111.8D446 M453 A454D446-C450 VanDerWaalsContact O-CB 3.3Å; D446-C450 WeakPolarHBondContact O-CB 3.45Å; D446-C450 PolarHBondContact O-N 3.06Å; D446-C450 PolarHBondContact O-SG 3.38Å; C450-M453 WeakPolarHBondContact O-CB 3.27Å; C450-M453 PolarHBondContact O-N 3.23Å; C450-A454 WeakPolarHBondContact O-CB 3.27Å; C450-A454 PolarHBondContact O-N 3.4Å
451S91.3Very high88.2Confident44 Ų4443.1 Ų43.131%0.30823%0.231SC..Hα-helixtrans-65.7-43.5176-62.70000111.9E447 L448 L449 M453 A454 A455E447-S451 WeakPolarHBondContact O-CB 3.49Å; E447-S451 PolarHBondContact O-N 2.97Å; E447-S451 PolarHBondContact O-OG 3.16Å; L448-S451 WeakPolarHBondContact O-CB 3.49Å; L448-S451 PolarHBondContact O-N 3.25Å; L449-S451 VanDerWaalsContact C-N 3.32Å; L449-S451 PolarHBondContact O-N 3.16Å; S451-M453 VanDerWaalsContact C-N 3.31Å; S451-M453 PolarHBondContact O-N 3.45Å; S451-A454 PolarHBondContact O-N 2.88Å; S451-A455 PolarHBondContact O-N 3.34Å; S451-A455 VanDerWaalsContact O-N 3.11Å
452C92.9Very high88.2Confident0 Ų041.4 Ų41.40%022%0.223CC..Hα-helixtrans-57.6-45.5170.8-75.50000111.4Y389 V392 I428 L448 L449 A455 I456Y389-C452 VanDerWaalsContact CD2-SG 3.6Å; V392-C452 HydrophobicContact CB-CB 4.25Å; V392-C452 HydrophobicContact CG1-CB 3.7Å; I428-C452 HydrophobicContact CD1-CB 3.75Å; I428-C452 HydrophobicContact CG1-CB 3.99Å; L448-C452 PolarHBondContact O-N 3.43Å; L448-C452 PolarHBondContact O-SG 3.44Å; L449-C452 WeakPolarHBondContact O-CB 3.37Å; L449-C452 PolarHBondContact O-N 3.46Å; C452-A455 WeakPolarHBondContact O-CB 3.46Å; C452-A455 PolarHBondContact O-N 3.4Å; C452-I456 PolarHBondContact O-N 3.02Å
453M93.5Very high88.3Confident0 Ų036.8 Ų36.80%019%0.191CC..Hα-helixtrans-61.6-46.9179.4-168.864.4-163.900111.4V425 I428 L449 C450 S451 A455 I456 V457 L522 F525 I526 L530V425-M453 HydrophobicContact CG2-CE 4.22Å; V425-M453 HydrophobicContact CG2-SD 4.19Å; I428-M453 HydrophobicContact CD1-CB 4.22Å; I428-M453 HydrophobicContact CD1-SD 4.07Å; L449-M453 WeakPolarHBondContact O-CB 3.32Å; L449-M453 PolarHBondContact O-N 3.1Å; C450-M453 WeakPolarHBondContact O-CB 3.27Å; C450-M453 PolarHBondContact O-N 3.23Å; S451-M453 VanDerWaalsContact C-N 3.31Å; S451-M453 PolarHBondContact O-N 3.45Å; M453-A455 VanDerWaalsContact C-N 3.27Å; M453-A455 PolarHBondContact O-N 3.47Å; M453-I456 PolarHBondContact O-N 3.36Å; M453-I456 VanDerWaalsContact O-N 3.1Å; M453-V457 HydrophobicContact CE-CG2 3.42Å; M453-V457 VanDerWaalsContact CE-CG2 3.42Å; M453-V457 HydrophobicContact CG-CG2 4.07Å; M453-V457 WeakPolarHBondContact O-CB 3.37Å; M453-V457 VanDerWaalsContact O-CG2 3.26Å; M453-V457 WeakPolarHBondContact O-CG2 3.24Å; M453-V457 PolarHBondContact O-N 2.93Å; M453-V457 HydrophobicContact SD-CG2 4.35Å; M453-L522 HydrophobicContact CB-CD1 4.1Å; M453-L522 HydrophobicContact CG-CD1 4.33Å; M453-F525 HydrophobicContact CG-CD1 3.93Å; M453-F525 HydrophobicContact CG-CE1 4.3Å; M453-F525 HydrophobicContact CG-CG 4.13Å; M453-I526 HydrophobicContact CE-CB 4.26Å; M453-I526 HydrophobicContact CE-CG1 3.69Å; M453-I526 HydrophobicContact CG-CG1 4.4Å; M453-I526 HydrophobicContact SD-CG1 3.81Å; M453-L530 HydrophobicContact CE-CD1 3.17Å; M453-L530 HydrophobicContact CE-CD2 4.43Å; M453-L530 HydrophobicContact CE-CG 3.47Å; M453-L530 VanDerWaalsContact CE-CG 3.47Å
454A91.1Very high88.2Confident27 Ų2737.8 Ų37.822%0.22319%0.185CC..Hα-helixtrans-59.8-36.2177.300000112.7C450 S451 I456 R458 F525C450-A454 WeakPolarHBondContact O-CB 3.27Å; C450-A454 PolarHBondContact O-N 3.4Å; S451-A454 PolarHBondContact O-N 2.88Å; A454-I456 VanDerWaalsContact C-N 3.31Å; A454-I456 PolarHBondContact O-N 2.88Å; A454-R458 PolarHBondContact O-N 2.83Å; A454-F525 HydrophobicContact CB-CE2 4.31Å; A454-F525 HydrophobicContact CB-CZ 3.95Å
455A90.1Very high87.8Confident13 Ų1332.5 Ų32.511%0.10716%0.16CC..Hα-helixtrans-66-32176.900000113I393 G396 S451 C452 M453 P459I393-A455 HydrophobicContact CD1-CB 3.63Å; G396-A455 VanDerWaalsContact CA-O 3.27Å; G396-A455 WeakPolarHBondContact CA-O 3.39Å; S451-A455 PolarHBondContact O-N 3.34Å; S451-A455 VanDerWaalsContact O-N 3.11Å; C452-A455 WeakPolarHBondContact O-CB 3.46Å; C452-A455 PolarHBondContact O-N 3.4Å; M453-A455 VanDerWaalsContact C-N 3.27Å; M453-A455 PolarHBondContact O-N 3.47Å; A455-P459 WeakPolarHBondContact O-CD 3.26Å
456I92.5Very high87.3Confident0 Ų034.4 Ų34.40%017%0.169CC..Hα-helixtrans-90-33.5-179.2-64.8-62.4000112.6V392 T395 I421 A424 V425 C452 M453 A454 R458 P459 F460V392-I456 HydrophobicContact CG1-CD1 3.99Å; V392-I456 HydrophobicContact CG1-CG1 3.59Å; T395-I456 HydrophobicContact CG2-CD1 3.86Å; I421-I456 HydrophobicContact CB-CG2 4.14Å; I421-I456 HydrophobicContact CG1-CG2 4.16Å; I421-I456 HydrophobicContact CG2-CG2 3.71Å; A424-I456 HydrophobicContact CB-CD1 3.81Å; A424-I456 HydrophobicContact CB-CG1 3.8Å; V425-I456 HydrophobicContact CG2-CG2 4.05Å; C452-I456 PolarHBondContact O-N 3.02Å; M453-I456 PolarHBondContact O-N 3.36Å; M453-I456 VanDerWaalsContact O-N 3.1Å; A454-I456 VanDerWaalsContact C-N 3.31Å; A454-I456 PolarHBondContact O-N 2.88Å; I456-R458 VanDerWaalsContact C-N 3.27Å; I456-R458 PolarHBondContact O-N 2.81Å; I456-P459 VanDerWaalsContact O-CD 3.23Å; I456-P459 WeakPolarHBondContact O-CD 3.4Å; I456-P459 VanDerWaalsContact O-CG 3.25Å; I456-P459 WeakPolarHBondContact O-CG 3.33Å; I456-F460 PolarHBondContact O-N 3.45Å
457V88.5Confident86.6Confident6 Ų636.4 Ų36.44%0.03618%0.179CC..Hα-helixtrans-63.5-34.3176.6162.60000111.8M453 F460 H461 F525 H529 L530M453-V457 HydrophobicContact CE-CG2 3.42Å; M453-V457 VanDerWaalsContact CE-CG2 3.42Å; M453-V457 HydrophobicContact CG-CG2 4.07Å; M453-V457 WeakPolarHBondContact O-CB 3.37Å; M453-V457 VanDerWaalsContact O-CG2 3.26Å; M453-V457 WeakPolarHBondContact O-CG2 3.24Å; M453-V457 PolarHBondContact O-N 2.93Å; M453-V457 HydrophobicContact SD-CG2 4.35Å; V457-F460 PolarHBondContact O-N 3.47Å; V457-H461 WeakPolarHBondContact CG1-CD2 3.49Å; V457-H461 PolarHBondContact O-CD2 3.37Å; V457-H461 PolarHBondContact O-N 3.29Å; V457-F525 HydrophobicContact CB-CE1 4.24Å; V457-F525 HydrophobicContact CG1-CE1 4.18Å; V457-F525 HydrophobicContact CG2-CD1 4.29Å; V457-F525 HydrophobicContact CG2-CE1 3.87Å; V457-H529 HydrophobicContact CG1-CB 3.69Å; V457-H529 HydrophobicContact CG2-CB 4.04Å; V457-L530 HydrophobicContact CG2-CD2 4Å; V457-L530 HydrophobicContact CG2-CG 4.1Å
458R83.8Confident85.5Confident132 Ų13238.6 Ų38.650%0.49819%0.189SC..Hα-helixtrans-58.7-57.3179-177.7-174.7-59.5149.53.7113.3A454 I456 F460 H461 A462A454-R458 PolarHBondContact O-N 2.83Å; I456-R458 VanDerWaalsContact C-N 3.27Å; I456-R458 PolarHBondContact O-N 2.81Å; R458-F460 PolarHBondContact O-N 3.39Å; R458-H461 PolarHBondContact O-N 3Å; R458-A462 WeakPolarHBondContact O-CB 3.49Å; R458-A462 PolarHBondContact O-N 3.44Å
459P88.1Confident84.3Confident0 Ų045.3 Ų45.30%022%0.219CC..Hα-helixtrans-60.8-34.5175.416.6-26.1000112.3L399 Y417 A455 I456 A462 L463L399-P459 HydrophobicContact CB-CB 3.77Å; L399-P459 HydrophobicContact CB-CG 4.03Å; L399-P459 HydrophobicContact CD1-CG 4.44Å; Y417-P459 HydrophobicContact CE1-CB 4.43Å; Y417-P459 WeakPolarHBondContact OH-CB 3.19Å; A455-P459 WeakPolarHBondContact O-CD 3.26Å; I456-P459 VanDerWaalsContact O-CD 3.23Å; I456-P459 WeakPolarHBondContact O-CD 3.4Å; I456-P459 VanDerWaalsContact O-CG 3.25Å; I456-P459 WeakPolarHBondContact O-CG 3.33Å; P459-A462 PolarHBondContact O-N 3.23Å; P459-L463 PolarHBondContact O-N 3.12Å
460F89.6Confident83.1Confident1 Ų146.3 Ų46.30%0.00423%0.225CC..Hα-helixtrans-62.7-47175.8178.5-100.9000113.2L418 I421 I456 V457 R458 A462 L463 I465 L530 P533 M534L418-F460 HydrophobicContact CD2-CD2 4.47Å; L418-F460 HydrophobicContact CD2-CE2 4.48Å; I421-F460 HydrophobicContact CD1-CB 4.03Å; I421-F460 HydrophobicContact CD1-CD2 4.28Å; I456-F460 PolarHBondContact O-N 3.45Å; V457-F460 PolarHBondContact O-N 3.47Å; R458-F460 PolarHBondContact O-N 3.39Å; F460-A462 VanDerWaalsContact C-N 3.34Å; F460-L463 WeakPolarHBondContact O-CB 2.78Å; F460-L463 PolarHBondContact O-N 3.41Å; F460-I465 HydrophobicContact CE1-CD1 3.97Å; F460-I465 HydrophobicContact CE2-CD1 3.93Å; F460-I465 HydrophobicContact CZ-CD1 3.29Å; F460-I465 HydrophobicContact CZ-CG1 4.32Å; F460-L530 HydrophobicContact CB-CD2 3.86Å; F460-L530 HydrophobicContact CD1-CD2 3.24Å; F460-L530 HydrophobicContact CD2-CD2 4.16Å; F460-L530 HydrophobicContact CE1-CD2 3.71Å; F460-L530 HydrophobicContact CG-CD2 3.47Å; F460-L530 VanDerWaalsContact CG-CD2 3.47Å; F460-L530 HydrophobicContact CZ-CD2 4.33Å; F460-P533 HydrophobicContact CE1-CB 3.91Å; F460-P533 HydrophobicContact CE1-CG 4.42Å; F460-P533 HydrophobicContact CZ-CB 4.4Å; F460-M534 HydrophobicContact CD2-CE 4.21Å; F460-M534 HydrophobicContact CE2-CE 3.49Å; F460-M534 VanDerWaalsContact CE2-CE 3.49Å; F460-M534 HydrophobicContact CE2-CG 4.08Å; F460-M534 HydrophobicContact CZ-CE 3.71Å; F460-M534 HydrophobicContact CZ-CG 3.56Å
461H85.3Confident82Confident58 Ų5849.3 Ų49.327%0.26924%0.237SC..Hα-helixtrans-69.3-33.6177.6-82-57.9000112.8V457 R458 L463 R464 H529V457-H461 WeakPolarHBondContact CG1-CD2 3.49Å; V457-H461 PolarHBondContact O-CD2 3.37Å; V457-H461 PolarHBondContact O-N 3.29Å; R458-H461 PolarHBondContact O-N 3Å; H461-L463 PolarHBondContact O-N 3.43Å; H461-R464 PolarHBondContact O-N 3.06Å; H461-H529 PolarHBondContact CE1-O 2.94Å; H461-H529 VanDerWaalsContact CE1-O 3.31Å; H461-H529 AromaticContact NE2-CG 3.99Å; H461-H529 AromaticContact NE2-ND1 3.47Å; H461-H529 PolarHBondContact NE2-ND1 3.1Å; H461-H529 PolarHBondContact NE2-O 2.76Å
462A81.1Confident81.1Confident32 Ų3250.5 Ų50.526%0.26425%0.249SC..Hα-helixtrans-57.3-32.3176.500000111E403 R407 R458 P459 F460 R464E403-A462 WeakPolarHBondContact OE1-CA 3.26Å; E403-A462 WeakPolarHBondContact OE1-CB 3.2Å; E403-A462 VanDerWaalsContact OE1-O 3.04Å; E403-A462 WeakPolarHBondContact OE2-CB 3.48Å; R407-A462 PolarHBondContact NH1-O 3.27Å; R407-A462 PolarHBondContact NH2-O 2.97Å; R458-A462 WeakPolarHBondContact O-CB 3.49Å; R458-A462 PolarHBondContact O-N 3.44Å; P459-A462 PolarHBondContact O-N 3.23Å; F460-A462 VanDerWaalsContact C-N 3.34Å; A462-R464 PolarHBondContact O-N 3.49Å
463L80.9Confident80.1Confident0 Ų054.9 Ų54.90%027%0.269CS..THydrogen-bonded Turntrans-61.4-16.1176.1-70177000114.5E403 R407 I410 F411 Y417 L418 P459 F460 H461 I465 M474E403-L463 HydrophobicContact CG-CD2 4.14Å; E403-L463 WeakPolarHBondContact OE1-CA 3.45Å; E403-L463 PolarHBondContact OE1-N 3.33Å; R407-L463 PolarHBondContact NH2-O 3.49Å; I410-L463 HydrophobicContact CG2-CD2 3.91Å; F411-L463 HydrophobicContact CE1-CD2 4.25Å; F411-L463 HydrophobicContact CZ-CD2 4.47Å; F411-L463 WeakPolarHBondContact CZ-O 3.45Å; Y417-L463 HydrophobicContact CD1-CD1 3.76Å; Y417-L463 HydrophobicContact CD1-CD2 4.41Å; Y417-L463 HydrophobicContact CD1-CG 4.41Å; Y417-L463 HydrophobicContact CE1-CD1 3.58Å; Y417-L463 HydrophobicContact CE1-CD2 3.99Å; Y417-L463 HydrophobicContact CE1-CG 3.83Å; L418-L463 HydrophobicContact CD2-CD1 4.14Å; P459-L463 PolarHBondContact O-N 3.12Å; F460-L463 WeakPolarHBondContact O-CB 2.78Å; F460-L463 PolarHBondContact O-N 3.41Å; H461-L463 PolarHBondContact O-N 3.43Å; L463-I465 HydrophobicContact CB-CG2 3.74Å; L463-I465 HydrophobicContact CD1-CG2 4.28Å; L463-I465 PolarHBondContact O-N 3.44Å; L463-M474 HydrophobicContact CD1-CE 4.43Å
464R80.3Confident79.6Confident155 Ų15555 Ų5559%0.58527%0.27SS*.  trans45.150.2-178-60.3-178.4-175.8-175.63.6111.8H461 A462 E466 D467H461-R464 PolarHBondContact O-N 3.06Å; A462-R464 PolarHBondContact O-N 3.49Å; R464-E466 PolarHBondContact O-N 3.34Å; R464-D467 HydrophobicContact CB-CB 4.3Å; R464-D467 WeakPolarHBondContact O-CB 3.47Å; R464-D467 PolarHBondContact O-N 2.69Å
465I79.2Confident79.2Confident6 Ų653.7 Ų53.73%0.03126%0.259CS..THydrogen-bonded Turntrans-57.5-16.8-174.559.5164000114.6F460 L463 D467 M474 I478 P533 A537F460-I465 HydrophobicContact CE1-CD1 3.97Å; F460-I465 HydrophobicContact CE2-CD1 3.93Å; F460-I465 HydrophobicContact CZ-CD1 3.29Å; F460-I465 HydrophobicContact CZ-CG1 4.32Å; L463-I465 HydrophobicContact CB-CG2 3.74Å; L463-I465 HydrophobicContact CD1-CG2 4.28Å; L463-I465 PolarHBondContact O-N 3.44Å; I465-D467 VanDerWaalsContact C-N 3.32Å; I465-M474 HydrophobicContact CB-CG 3.65Å; I465-M474 HydrophobicContact CG2-CE 4.16Å; I465-M474 HydrophobicContact CG2-CG 3.58Å; I465-M474 HydrophobicContact CG2-SD 3.82Å; I465-I478 HydrophobicContact CB-CD1 3.95Å; I465-I478 HydrophobicContact CD1-CD1 3.42Å; I465-I478 VanDerWaalsContact CD1-CD1 3.42Å; I465-I478 HydrophobicContact CG1-CD1 4.26Å; I465-I478 HydrophobicContact CG2-CD1 4.15Å; I465-P533 HydrophobicContact CD1-CB 4.07Å; I465-A537 HydrophobicContact CB-CB 4.17Å; I465-A537 HydrophobicContact CD1-CB 3.77Å; I465-A537 HydrophobicContact CG1-CB 4.01Å; I465-A537 WeakPolarHBondContact O-CB 3.28Å
466E74.6Confident78.8Confident52 Ų5260.6 Ų60.624%0.24328%0.282CS..THydrogen-bonded Turntrans-85.4-5.9178.2-55.7-178.2116.300112.5R464 R536R464-E466 PolarHBondContact O-N 3.34Å; E466-R536 HydrophobicContact CG-CB 4.48Å; E466-R536 WeakPolarHBondContact OE1-CB 3.37Å; E466-R536 WeakPolarHBondContact OE1-CD 3.24Å; E466-R536 IonicContact OE1-CZ 3.23Å; E466-R536 IonicContact OE1-NE 2.72Å; E466-R536 PolarHBondContact OE1-NE 3.16Å; E466-R536 VanDerWaalsContact OE1-NE 3.12Å; E466-R536 IonicContact OE1-NH1 2.72Å; E466-R536 PolarHBondContact OE1-NH1 3.02Å; E466-R536 IonicContact OE1-NH2 3.27Å; E466-R536 IonicContact OE2-NH1 2.7Å; E466-R536 PolarHBondContact OE2-NH1 3.45Å
467D73.2Confident78.5Confident67 Ų6760.8 Ų60.836%0.35828%0.284SS..  trans-71.1135.2179.6-161.1-11.1000111.2R464 I465 E469 V470 Y471R464-D467 HydrophobicContact CB-CB 4.3Å; R464-D467 WeakPolarHBondContact O-CB 3.47Å; R464-D467 PolarHBondContact O-N 2.69Å; I465-D467 VanDerWaalsContact C-N 3.32Å; D467-E469 PolarHBondContact O-N 3.25Å; D467-V470 HydrophobicContact CB-CG2 4.19Å; D467-V470 WeakPolarHBondContact O-CG2 3.35Å; D467-V470 PolarHBondContact O-N 2.93Å; D467-Y471 PolarHBondContact O-N 3.45Å; D467-Y471 VanDerWaalsContact O-N 3.17Å
468H65.9Low78.6Confident170 Ų17060.5 Ų60.579%0.78728%0.283SS*.THydrogen-bonded Turntrans-63.1-27.9-172.4-69.1-56.8000112.8V470H468-V470 VanDerWaalsContact C-N 3.33Å; H468-V470 PolarHBondContact O-N 2.93Å
469E65.8Low78.8Confident180 Ų18056.5 Ų56.584%0.84127%0.269SS*.THydrogen-bonded Turntrans-69.1-28.5-179-62.5-167159.400113.4D467D467-E469 PolarHBondContact O-N 3.25Å
470V66.8Low78.9Confident23 Ų2360 Ų6014%0.13929%0.29CS..THydrogen-bonded Turntrans-110.1-7.8-175.7-60.60000113.3F411 D467 H468 A472 E473 M474F411-V470 HydrophobicContact CD1-CB 4.01Å; F411-V470 HydrophobicContact CD1-CG1 3.86Å; F411-V470 HydrophobicContact CD2-CG1 3.72Å; F411-V470 HydrophobicContact CE1-CB 3.95Å; F411-V470 HydrophobicContact CE1-CG1 3.8Å; F411-V470 HydrophobicContact CE1-CG2 4.08Å; F411-V470 HydrophobicContact CE2-CG1 3.63Å; F411-V470 HydrophobicContact CG-CB 4.42Å; F411-V470 HydrophobicContact CG-CG1 3.85Å; F411-V470 HydrophobicContact CZ-CB 4.29Å; F411-V470 HydrophobicContact CZ-CG1 3.7Å; F411-V470 HydrophobicContact CZ-CG2 4.32Å; D467-V470 HydrophobicContact CB-CG2 4.19Å; D467-V470 WeakPolarHBondContact O-CG2 3.35Å; D467-V470 PolarHBondContact O-N 2.93Å; H468-V470 VanDerWaalsContact C-N 3.33Å; H468-V470 PolarHBondContact O-N 2.93Å; V470-A472 VanDerWaalsContact C-N 3.33Å; V470-A472 PolarHBondContact O-N 2.85Å; V470-E473 PolarHBondContact O-N 3.28Å; V470-M474 VanDerWaalsContact O-CB 3.31Å; V470-M474 WeakPolarHBondContact O-CB 3.43Å; V470-M474 PolarHBondContact O-N 3.09Å
471Y68Low79.1Confident70 Ų7060.2 Ų60.228%0.27529%0.291SS..Hα-helixtrans-53-43.5-170.4-172.1-92.8000113.9D467 E473 S475 A537 C538 D539D467-Y471 PolarHBondContact O-N 3.45Å; D467-Y471 VanDerWaalsContact O-N 3.17Å; Y471-E473 PolarHBondContact O-N 3.32Å; Y471-S475 WeakPolarHBondContact O-CB 3.22Å; Y471-S475 PolarHBondContact O-N 2.99Å; Y471-A537 WeakPolarHBondContact CE2-O 3.21Å; Y471-C538 PolarHBondContact OH-O 2.96Å; Y471-D539 HydrophobicContact CE1-CB 3.94Å; Y471-D539 WeakPolarHBondContact OH-CA 3.5Å; Y471-D539 PolarHBondContact OH-N 2.97Å
472A72.1Confident79.5Confident68 Ų6857.4 Ų57.456%0.56228%0.278SS*.Hα-helixtrans-64.4-43-17500000113.2V470V470-A472 VanDerWaalsContact C-N 3.33Å; V470-A472 PolarHBondContact O-N 2.85Å
473E72.5Confident80Confident93 Ų9357.4 Ų57.444%0.43527%0.273SS..Hα-helixtrans-76.6-41.4-179.4-158.860.3-155.100110.5F411 V470 Y471 R476 A477F411-E473 WeakPolarHBondContact O-CG 3.34Å; V470-E473 PolarHBondContact O-N 3.28Å; Y471-E473 PolarHBondContact O-N 3.32Å; E473-R476 PolarHBondContact O-N 3.48Å; E473-A477 PolarHBondContact O-N 3.38Å
474M83.2Confident80.6Confident1 Ų159 Ų591%0.00528%0.284CS..Hα-helixtrans-70.8-38.6-176.8-16655.668.200112.9F411 P414 L418 L463 I465 V470 R476 A477 I478F411-M474 HydrophobicContact CD1-CE 3.57Å; F411-M474 HydrophobicContact CE1-CE 3.64Å; P414-M474 HydrophobicContact CB-CE 4.02Å; P414-M474 HydrophobicContact CB-SD 4.44Å; L418-M474 HydrophobicContact CD1-SD 3.9Å; L418-M474 HydrophobicContact CD2-SD 4.46Å; L463-M474 HydrophobicContact CD1-CE 4.43Å; I465-M474 HydrophobicContact CB-CG 3.65Å; I465-M474 HydrophobicContact CG2-CE 4.16Å; I465-M474 HydrophobicContact CG2-CG 3.58Å; I465-M474 HydrophobicContact CG2-SD 3.82Å; V470-M474 VanDerWaalsContact O-CB 3.31Å; V470-M474 WeakPolarHBondContact O-CB 3.43Å; V470-M474 PolarHBondContact O-N 3.09Å; M474-R476 VanDerWaalsContact C-N 3.26Å; M474-R476 PolarHBondContact O-N 3.14Å; M474-A477 PolarHBondContact O-N 3.36Å; M474-A477 VanDerWaalsContact O-N 3.14Å; M474-I478 HydrophobicContact CG-CD1 3.5Å; M474-I478 HydrophobicContact CG-CG1 3.99Å; M474-I478 WeakPolarHBondContact O-CB 3.36Å; M474-I478 VanDerWaalsContact O-CG1 3.32Å; M474-I478 WeakPolarHBondContact O-CG1 3.42Å; M474-I478 PolarHBondContact O-N 3Å; M474-I478 HydrophobicContact SD-CD1 3.99Å; M474-I478 HydrophobicContact SD-CG1 3.91Å
475S82.9Confident81.3Confident0 Ų051.7 Ų51.70%026%0.256CS..Hα-helixtrans-51.4-44.7176.1168.10000112.2Y471 A537 D539 A542Y471-S475 WeakPolarHBondContact O-CB 3.22Å; Y471-S475 PolarHBondContact O-N 2.99Å; S475-A537 WeakPolarHBondContact CA-O 3.48Å; S475-A537 VanDerWaalsContact CB-O 3.32Å; S475-A537 WeakPolarHBondContact CB-O 3.27Å; S475-D539 WeakPolarHBondContact OG-CB 3.28Å; S475-D539 PolarHBondContact OG-N 2.98Å; S475-D539 PolarHBondContact OG-OD2 3.39Å; S475-A542 WeakPolarHBondContact O-CB 3.49Å; S475-A542 WeakPolarHBondContact OG-CB 3.28Å
476R80.6Confident82.1Confident158 Ų15851.4 Ų51.460%0.59626%0.255SS*.Hα-helixtrans-72.3-40.5-179.5-65.5176.6179.3168.60.4111.9E473 M474E473-R476 PolarHBondContact O-N 3.48Å; M474-R476 VanDerWaalsContact C-N 3.26Å; M474-R476 PolarHBondContact O-N 3.14Å
477A86.8Confident82.9Confident5 Ų550.3 Ų50.34%0.04125%0.253CS..Hα-helixtrans-72.4-33.1-176.900000113.3P414 L418 E473 M474 K479 P481P414-A477 HydrophobicContact CB-CB 4.36Å; P414-A477 HydrophobicContact CG-CB 3.53Å; L418-A477 HydrophobicContact CD1-CB 3.74Å; E473-A477 PolarHBondContact O-N 3.38Å; M474-A477 PolarHBondContact O-N 3.36Å; M474-A477 VanDerWaalsContact O-N 3.14Å; A477-K479 VanDerWaalsContact C-N 3.31Å; A477-K479 PolarHBondContact O-N 3.41Å; A477-P481 WeakPolarHBondContact O-CD 3.23Å
478I89.9Confident83.8Confident0 Ų049.8 Ų49.80%025%0.248CC..Hα-helixtrans-69.8-24.7-178-76.9176.1000113.4L418 I465 M474 V480 P481 L482 M534 A537L418-I478 HydrophobicContact CD1-CG1 4.24Å; I465-I478 HydrophobicContact CB-CD1 3.95Å; I465-I478 HydrophobicContact CD1-CD1 3.42Å; I465-I478 VanDerWaalsContact CD1-CD1 3.42Å; I465-I478 HydrophobicContact CG1-CD1 4.26Å; I465-I478 HydrophobicContact CG2-CD1 4.15Å; M474-I478 HydrophobicContact CG-CD1 3.5Å; M474-I478 HydrophobicContact CG-CG1 3.99Å; M474-I478 WeakPolarHBondContact O-CB 3.36Å; M474-I478 VanDerWaalsContact O-CG1 3.32Å; M474-I478 WeakPolarHBondContact O-CG1 3.42Å; M474-I478 PolarHBondContact O-N 3Å; M474-I478 HydrophobicContact SD-CD1 3.99Å; M474-I478 HydrophobicContact SD-CG1 3.91Å; I478-V480 VanDerWaalsContact C-N 3.32Å; I478-V480 PolarHBondContact O-N 3.02Å; I478-P481 VanDerWaalsContact O-CD 3.24Å; I478-P481 WeakPolarHBondContact O-CD 3.33Å; I478-L482 HydrophobicContact CG2-CB 4.41Å; I478-L482 WeakPolarHBondContact O-CB 3.45Å; I478-L482 PolarHBondContact O-N 3.21Å; I478-M534 HydrophobicContact CG2-CB 3.49Å; I478-M534 VanDerWaalsContact CG2-CB 3.49Å; I478-M534 HydrophobicContact CG2-CG 3.59Å; I478-M534 HydrophobicContact CG2-SD 4.26Å; I478-A537 HydrophobicContact CD1-CB 3.71Å
479K89.1Confident84.9Confident48 Ų4841.8 Ų41.821%0.20921%0.211CC..Hα-helixtrans-48.2-51.5-177.9176.1-169.7162.7-167.70112.5A477 L482 E483 Q545 A546A477-K479 VanDerWaalsContact C-N 3.31Å; A477-K479 PolarHBondContact O-N 3.41Å; K479-L482 PolarHBondContact O-N 3.29Å; K479-E483 WeakPolarHBondContact CE-OE1 3.38Å; K479-E483 WeakPolarHBondContact CG-OE1 3.32Å; K479-E483 IonicContact NZ-OE1 3.82Å; K479-E483 WeakPolarHBondContact O-CG 3.27Å; K479-E483 PolarHBondContact O-N 3.45Å; K479-Q545 HydrophobicContact CD-CB 3.87Å; K479-A546 HydrophobicContact CG-CB 4.12Å
480V89.1Confident86Confident73 Ų7333.2 Ų33.244%0.44217%0.171SC..Hα-helixtrans-68.7-47-175.2175.60000112.4I478 L482 E483 S484I478-V480 VanDerWaalsContact C-N 3.32Å; I478-V480 PolarHBondContact O-N 3.02Å; V480-L482 VanDerWaalsContact C-N 3.34Å; V480-L482 PolarHBondContact O-N 3.47Å; V480-E483 PolarHBondContact O-N 3.35Å; V480-S484 WeakPolarHBondContact O-CB 3.36Å; V480-S484 PolarHBondContact O-N 3.4Å; V480-S484 PolarHBondContact O-OG 3.31Å
481P93.3Very high86.8Confident5 Ų535.4 Ų35.43%0.03219%0.188CC..Hα-helixtrans-50.2-49167.5-32.135.2000113.9L418 T422 A477 I478 S484 I485 M534L418-P481 HydrophobicContact CB-CG 3.97Å; L418-P481 HydrophobicContact CD1-CG 4.45Å; T422-P481 VanDerWaalsContact OG1-CB 3.27Å; T422-P481 WeakPolarHBondContact OG1-CB 3.36Å; T422-P481 WeakPolarHBondContact OG1-CG 3.32Å; A477-P481 WeakPolarHBondContact O-CD 3.23Å; I478-P481 VanDerWaalsContact O-CD 3.24Å; I478-P481 WeakPolarHBondContact O-CD 3.33Å; P481-S484 PolarHBondContact O-N 2.92Å; P481-I485 WeakPolarHBondContact O-CB 3.43Å; P481-I485 VanDerWaalsContact O-CG1 3.27Å; P481-I485 WeakPolarHBondContact O-CG1 3.34Å; P481-I485 PolarHBondContact O-N 3.3Å; P481-M534 HydrophobicContact CB-CE 4.12Å; P481-M534 HydrophobicContact CB-SD 4.34Å
482L94.2Very high87.2Confident0 Ų032.7 Ų32.70%018%0.179CC..Hα-helixtrans-61.5-49.7-178.8177.463.2000111.5I478 K479 V480 S484 V486 I531 M534 I535 M543 L559I478-L482 HydrophobicContact CG2-CB 4.41Å; I478-L482 WeakPolarHBondContact O-CB 3.45Å; I478-L482 PolarHBondContact O-N 3.21Å; K479-L482 PolarHBondContact O-N 3.29Å; V480-L482 VanDerWaalsContact C-N 3.34Å; V480-L482 PolarHBondContact O-N 3.47Å; L482-S484 VanDerWaalsContact C-N 3.3Å; L482-S484 PolarHBondContact O-N 2.88Å; L482-V486 HydrophobicContact CD1-CG2 3.9Å; L482-V486 WeakPolarHBondContact O-CB 3.46Å; L482-V486 VanDerWaalsContact O-CG2 3.26Å; L482-V486 WeakPolarHBondContact O-CG2 3.43Å; L482-V486 PolarHBondContact O-N 3.35Å; L482-I531 HydrophobicContact CD1-CG2 3.91Å; L482-M534 HydrophobicContact CB-CB 4.49Å; L482-M534 HydrophobicContact CB-SD 4.21Å; L482-M534 HydrophobicContact CD1-CB 4.13Å; L482-M534 HydrophobicContact CD1-SD 4.45Å; L482-I535 HydrophobicContact CD1-CG1 4.25Å; L482-I535 HydrophobicContact CD2-CG1 4.2Å; L482-M543 HydrophobicContact CD2-CE 3.96Å; L482-L559 HydrophobicContact CD1-CD1 4.48Å; L482-L559 HydrophobicContact CD2-CD1 4.27Å; L482-L559 HydrophobicContact CG-CD1 4.38Å
483E92.6Very high86.7Confident32 Ų3232.3 Ų32.315%0.1517%0.172CC..Hα-helixtrans-55.8-46.1176.2-74.4174.6-171.400111.6K479 V480 S487 A546 I550K479-E483 WeakPolarHBondContact CE-OE1 3.38Å; K479-E483 WeakPolarHBondContact CG-OE1 3.32Å; K479-E483 IonicContact NZ-OE1 3.82Å; K479-E483 WeakPolarHBondContact O-CG 3.27Å; K479-E483 PolarHBondContact O-N 3.45Å; V480-E483 PolarHBondContact O-N 3.35Å; E483-S487 WeakPolarHBondContact O-CB 3.06Å; E483-S487 PolarHBondContact O-N 3.46Å; E483-A546 HydrophobicContact CG-CB 4.26Å; E483-A546 VanDerWaalsContact OE1-CA 3.28Å; E483-A546 WeakPolarHBondContact OE1-CA 3.39Å; E483-I550 HydrophobicContact CG-CB 4.32Å
484S93.3Very high85.7Confident34 Ų3431 Ų3124%0.23817%0.171CC..Hα-helixtrans-68.6-45.3-174.6-54.90000111.9V480 P481 L482 S487 H488V480-S484 WeakPolarHBondContact O-CB 3.36Å; V480-S484 PolarHBondContact O-N 3.4Å; V480-S484 PolarHBondContact O-OG 3.31Å; P481-S484 PolarHBondContact O-N 2.92Å; L482-S484 VanDerWaalsContact C-N 3.3Å; L482-S484 PolarHBondContact O-N 2.88Å; S484-S487 PolarHBondContact O-N 3.09Å; S484-H488 PolarHBondContact O-N 3.44Å; S484-H488 VanDerWaalsContact O-N 3.12Å; S484-H488 PolarHBondContact O-ND1 3.35Å
485I94.8Very high83.7Confident0 Ų037.1 Ų37.10%020%0.202CC..Hα-helixtrans-65.6-46.4178.9-66.9167.6000110.4T422 V425 I429 P481 S487 H488 L489 I526 L530 I531 M534T422-I485 HydrophobicContact CG2-CG1 4.49Å; V425-I485 HydrophobicContact CB-CD1 4.28Å; V425-I485 HydrophobicContact CB-CG1 4.31Å; V425-I485 HydrophobicContact CG1-CD1 3.94Å; V425-I485 HydrophobicContact CG1-CG1 3.82Å; V425-I485 HydrophobicContact CG1-CG2 4.01Å; I429-I485 HydrophobicContact CD1-CG2 4.18Å; P481-I485 WeakPolarHBondContact O-CB 3.43Å; P481-I485 VanDerWaalsContact O-CG1 3.27Å; P481-I485 WeakPolarHBondContact O-CG1 3.34Å; P481-I485 PolarHBondContact O-N 3.3Å; I485-S487 VanDerWaalsContact C-N 3.32Å; I485-S487 PolarHBondContact O-N 2.69Å; I485-H488 PolarHBondContact O-N 2.93Å; I485-L489 WeakPolarHBondContact O-CB 3.38Å; I485-L489 PolarHBondContact O-N 3.41Å; I485-I526 HydrophobicContact CG2-CG2 3.85Å; I485-L530 HydrophobicContact CD1-CD1 4.19Å; I485-I531 HydrophobicContact CG2-CD1 4.14Å; I485-I531 HydrophobicContact CG2-CG1 4.17Å; I485-M534 HydrophobicContact CD1-CE 3.9Å; I485-M534 HydrophobicContact CD1-SD 4.25Å
486V94.7Very high81.5Confident0 Ų046 Ų460%024%0.24CC..Hα-helixtrans-65.9-37.4-179.8175.60000111.2L482 L489 S490 I531 I550 L558 L559 L562L482-V486 HydrophobicContact CD1-CG2 3.9Å; L482-V486 WeakPolarHBondContact O-CB 3.46Å; L482-V486 VanDerWaalsContact O-CG2 3.26Å; L482-V486 WeakPolarHBondContact O-CG2 3.43Å; L482-V486 PolarHBondContact O-N 3.35Å; V486-L489 PolarHBondContact O-N 2.87Å; V486-S490 WeakPolarHBondContact O-CB 3.42Å; V486-S490 PolarHBondContact O-N 3.32Å; V486-I531 HydrophobicContact CG2-CD1 4.08Å; V486-I531 HydrophobicContact CG2-CG2 4.4Å; V486-I550 HydrophobicContact CB-CD1 3.85Å; V486-I550 HydrophobicContact CG1-CD1 3.66Å; V486-L558 HydrophobicContact CG1-CB 4.34Å; V486-L558 HydrophobicContact CG1-CD2 4.1Å; V486-L558 HydrophobicContact CG1-CG 4.14Å; V486-L559 HydrophobicContact CG1-CB 4.09Å; V486-L559 HydrophobicContact CG2-CD1 4.41Å; V486-L562 HydrophobicContact CG1-CD1 4.5Å; V486-L562 HydrophobicContact CG2-CD1 4.29Å
487S92.8Very high79.1Confident29 Ų2946.7 Ų46.720%0.20325%0.25CS..Hα-helixtrans-60-49.3174.9-173.30000112E483 S484 I485 S490 S491 K551E483-S487 WeakPolarHBondContact O-CB 3.06Å; E483-S487 PolarHBondContact O-N 3.46Å; S484-S487 PolarHBondContact O-N 3.09Å; I485-S487 VanDerWaalsContact C-N 3.32Å; I485-S487 PolarHBondContact O-N 2.69Å; S487-S490 PolarHBondContact O-N 2.74Å; S487-S490 PolarHBondContact O-OG 2.87Å; S487-S491 PolarHBondContact O-N 3.25Å; S487-K551 WeakPolarHBondContact CB-O 3.37Å; S487-K551 PolarHBondContact OG-O 2.82Å
488H90.8Very high76.5Confident56 Ų5651.1 Ų51.126%0.25928%0.281SS..Hα-helixtrans-67.8-36.3177.8-7278.9000112.4I429 D430 S484 I485 S490 S491 C492I429-H488 HydrophobicContact CD1-CB 4.25Å; I429-H488 HydrophobicContact CG2-CB 4.06Å; D430-H488 IonicContact OD1-CD2 3.45Å; D430-H488 PolarHBondContact OD1-CD2 2.9Å; S484-H488 PolarHBondContact O-N 3.44Å; S484-H488 VanDerWaalsContact O-N 3.12Å; S484-H488 PolarHBondContact O-ND1 3.35Å; I485-H488 PolarHBondContact O-N 2.93Å; H488-S490 VanDerWaalsContact C-N 3.29Å; H488-S490 PolarHBondContact O-N 3.43Å; H488-S491 PolarHBondContact O-N 2.89Å; H488-S491 PolarHBondContact O-OG 3.42Å; H488-C492 PolarHBondContact O-N 2.92Å; H488-C492 PolarHBondContact O-SG 2.94Å
489L90.3Very high73.8Confident2 Ų255.6 Ų55.61%0.0131%0.312CS..Hα-helixtrans-64.6-36.8175.2-169.363.2000111.8I485 V486 C492 S493 I518 K523 V527 I531 L558I485-L489 WeakPolarHBondContact O-CB 3.38Å; I485-L489 PolarHBondContact O-N 3.41Å; V486-L489 PolarHBondContact O-N 2.87Å; L489-C492 PolarHBondContact O-N 2.87Å; L489-S493 PolarHBondContact O-N 3.42Å; L489-I518 HydrophobicContact CD1-CD1 3.75Å; L489-I518 HydrophobicContact CD1-CG2 4.22Å; L489-K523 HydrophobicContact CD1-CG 4.21Å; L489-K523 HydrophobicContact CD2-CG 4.48Å; L489-V527 HydrophobicContact CD2-CG2 4.07Å; L489-I531 HydrophobicContact CD2-CD1 3.97Å; L489-L558 HydrophobicContact CB-CD2 4.3Å; L489-L558 HydrophobicContact CD2-CD2 4.29Å; L489-L558 HydrophobicContact CG-CD2 4.27Å
490S88.5Confident71Confident0 Ų059 Ų590%034%0.342CS..Hα-helixtrans-67.5-36.3178.179.50000112.5V486 S487 H488 C492 S493 A555V486-S490 WeakPolarHBondContact O-CB 3.42Å; V486-S490 PolarHBondContact O-N 3.32Å; S487-S490 PolarHBondContact O-N 2.74Å; S487-S490 PolarHBondContact O-OG 2.87Å; H488-S490 VanDerWaalsContact C-N 3.29Å; H488-S490 PolarHBondContact O-N 3.43Å; S490-C492 VanDerWaalsContact C-N 3.26Å; S490-C492 PolarHBondContact O-N 3.02Å; S490-S493 WeakPolarHBondContact CA-OG 3.34Å; S490-S493 PolarHBondContact O-N 3.29Å; S490-S493 PolarHBondContact O-OG 3.45Å; S490-A555 WeakPolarHBondContact OG-CB 3.26Å
491S82.8Confident68.3Low69 Ų6960.6 Ų60.648%0.48335%0.352SS..Hα-helixtrans-67.2-28.3-179.770.40000112.3S487 H488 S493S487-S491 PolarHBondContact O-N 3.25Å; H488-S491 PolarHBondContact O-N 2.89Å; H488-S491 PolarHBondContact O-OG 3.42Å; S491-S493 VanDerWaalsContact C-N 3.35Å
492C76.6Confident65.5Low14 Ų1468.2 Ų68.210%0.09539%0.393CS..THydrogen-bonded Turntrans-79-14.5173.4-57.20000114I429 H488 L489 S490 I518I429-C492 WeakPolarHBondContact CG2-SG 3.22Å; H488-C492 PolarHBondContact O-N 2.92Å; H488-C492 PolarHBondContact O-SG 2.94Å; L489-C492 PolarHBondContact O-N 2.87Å; S490-C492 VanDerWaalsContact C-N 3.26Å; S490-C492 PolarHBondContact O-N 3.02Å; C492-I518 HydrophobicContact CB-CB 4.48Å; C492-I518 HydrophobicContact CB-CG2 4.39Å
493S62.7Low62.6Low60 Ų6075.6 Ų75.642%0.4243%0.43SS..THydrogen-bonded Turntrans-91.9-17.1-177.366.80000114.3L489 S490 S491 I495L489-S493 PolarHBondContact O-N 3.42Å; S490-S493 WeakPolarHBondContact CA-OG 3.34Å; S490-S493 PolarHBondContact O-N 3.29Å; S490-S493 PolarHBondContact O-OG 3.45Å; S491-S493 VanDerWaalsContact C-N 3.35Å; S493-I495 PolarHBondContact O-N 3.03Å; S493-I495 VanDerWaalsContact O-N 3.09Å
494V50.2Low59.8Low66 Ų6683.3 Ų83.340%0.446%0.463SS..  trans-78.499.6178-176.30000108.4K496 S515V494-K496 PolarHBondContact O-N 3.44Å; V494-K496 VanDerWaalsContact O-N 3.15Å; V494-S515 PolarHBondContact O-OG 3.05Å
495I42.6Very low56.9Low129 Ų12990.2 Ų90.266%0.66249%0.492SS*.  trans-58.2115.7151.3-57.7172.7000103.8S493 E497S493-I495 PolarHBondContact O-N 3.03Å; S493-I495 VanDerWaalsContact O-N 3.09Å; I495-E497 PolarHBondContact O-N 2.98Å
496K35.4Very low53.8Low186 Ų18699.7 Ų99.781%0.80953%0.533SS*.  trans-60.595.2164.2-85.3-175.2175.1-177.50105.3V494 S498V494-K496 PolarHBondContact O-N 3.44Å; V494-K496 VanDerWaalsContact O-N 3.15Å; K496-S498 VanDerWaalsContact C-N 3.27Å; K496-S498 PolarHBondContact O-N 3.28Å
497E30.5Very low50.8Low173 Ų173110.2 Ų110.281%0.80858%0.579SS**  trans-54.5107.4156.4-78.8-179164.600104.1I495 S499I495-E497 PolarHBondContact O-N 2.98Å; E497-S499 PolarHBondContact O-N 3.38Å
498S32.6Very low47.8Very low98 Ų98114.1 Ų114.169%0.68560%0.602SS**  trans-53.195.516649.10000105.1K496 S500K496-S498 VanDerWaalsContact C-N 3.27Å; K496-S498 PolarHBondContact O-N 3.28Å; S498-S500 PolarHBondContact O-N 2.92Å
499S33.6Very low45Very low94 Ų94122 Ų12266%0.65764%0.635SS**  trans-49.7114179.948.40000106.6E497 T501E497-S499 PolarHBondContact O-N 3.38Å; S499-T501 PolarHBondContact O-N 3.25Å; S499-T501 PolarHBondContact O-OG1 3.36Å
500S30.8Very low42Very low118 Ų118127 Ų12783%0.82567%0.666SS**  trans-63.773.617653.20000109.4S498S498-S500 PolarHBondContact O-N 2.92Å
501T32.2Very low39.1Very low107 Ų107134.1 Ų134.166%0.65671%0.709SS**  trans-96.799160.139.90000106.3S499 I503S499-T501 PolarHBondContact O-N 3.25Å; S499-T501 PolarHBondContact O-OG1 3.36Å; T501-I503 PolarHBondContact O-N 2.78Å
502N33.9Very low36.5Very low166 Ų166138 Ų13889%0.88872%0.72SS**  trans-3199.1164.8-78-37.9000112.2
503I34.2Very low34.4Very low154 Ų154143 Ų14379%0.7975%0.752SS**  trans-138.1110.3160.4-58.2-177.7000107.7T501 E505T501-I503 PolarHBondContact O-N 2.78Å; I503-E505 PolarHBondContact O-N 3.03Å
504K32.5Very low33Very low194 Ų194147.6 Ų147.684%0.84377%0.771SS**  trans-48.7133.8168.9-76176.5171.7179.40110.2
505E32.3Very low32.5Very low180 Ų180146.5 Ų146.584%0.84177%0.766SS**  trans44.5103151.1-64.6-177.1146.700117.4I503I503-E505 PolarHBondContact O-N 3.03Å
506K30.5Very low33Very low198 Ų198141.7 Ų141.786%0.86175%0.746SS**  -153.9115126.4-109.7166.8-172.4-179.60110T508K506-T508 PolarHBondContact O-N 3.3Å
507K31.6Very low34.6Very low221 Ų221137.8 Ų137.896%0.96174%0.738SS**  trans-56.3100.2167.7-80.5175.2174.3171.80108.9
508T28.7Very low37.1Very low111 Ų111130.1 Ų130.168%0.68170%0.702SS**  trans-131.2116.31577.60000106.2K506 T510K506-T508 PolarHBondContact O-N 3.3Å; T508-T510 PolarHBondContact O-N 2.88Å; T508-T510 PolarHBondContact O-OG1 3.42Å
509K32Very low39.6Very low223 Ų223127.2 Ų127.297%0.9768%0.682SS**  trans-64.581.9173.9-75.5178.6174.2178.90108.6
510T27.1Very low42Very low107 Ų107130.6 Ų130.666%0.65669%0.685SS**  trans-95.8104.4161.123.40000106.5T508 E512T508-T510 PolarHBondContact O-N 2.88Å; T508-T510 PolarHBondContact O-OG1 3.42Å; T510-E512 PolarHBondContact O-N 3.28Å
511T27.7Very low44.8Very low148 Ų148131.7 Ų131.791%0.90867%0.671SS**  trans-52.691.2159.524.20000107.9
512E28.9Very low47.5Very low150 Ų150126.7 Ų126.770%0.70164%0.64SS**  trans-64.2134.4171-75.7-173150.700108.6T510 I514T510-E512 PolarHBondContact O-N 3.28Å; E512-I514 PolarHBondContact O-N 3.48Å
513P33.1Very low50.2Low120 Ų120122.5 Ų122.578%0.77961%0.614SS**  trans-70.6109.3-179.328-29.9000108S515P513-S515 PolarHBondContact O-N 2.99Å
514I33.2Very low52.8Low156 Ų156118.2 Ų118.280%0.859%0.593SS**  trans-48.7114167.4-59.5169.5000106.5E512 A516E512-I514 PolarHBondContact O-N 3.48Å; I514-A516 PolarHBondContact O-N 2.82Å
515S40.3Very low55.5Low43 Ų43110.7 Ų110.730%0.30156%0.56SS.*  trans-52.5107.8175.5172.30000108V494 P513 T517V494-S515 PolarHBondContact O-OG 3.05Å; P513-S515 PolarHBondContact O-N 2.99Å; S515-T517 PolarHBondContact O-N 3.12Å; S515-T517 VanDerWaalsContact O-N 3.16Å; S515-T517 PolarHBondContact O-OG1 3.09Å
516A52.4Low58.4Low29 Ų29102.1 Ų102.124%0.2452%0.52CS..  trans-73.8111.1-175.500000108.7G433 I514G433-A516 VanDerWaalsContact C-CB 3.4Å; G433-A516 WeakPolarHBondContact O-CB 3.5Å; I514-A516 PolarHBondContact O-N 2.82Å
517T69.7Low61.4Low104 Ų10493.3 Ų93.364%0.63848%0.483SS*.PPolyproline II helixtrans-82.4127.6-176.2-37.60000109.1S515 S519S515-T517 PolarHBondContact O-N 3.12Å; S515-T517 VanDerWaalsContact O-N 3.16Å; S515-T517 PolarHBondContact O-OG1 3.09Å; T517-S519 PolarHBondContact O-N 3.3Å
518I82.1Confident64.2Low12 Ų1285 Ų856%0.06245%0.447CS..PPolyproline II helixtrans-54.6136.9166.8-171.2169000109I429 L489 C492 L522 K523 I526I429-I518 HydrophobicContact CG1-CD1 4.38Å; L489-I518 HydrophobicContact CD1-CD1 3.75Å; L489-I518 HydrophobicContact CD1-CG2 4.22Å; C492-I518 HydrophobicContact CB-CB 4.48Å; C492-I518 HydrophobicContact CB-CG2 4.39Å; I518-L522 HydrophobicContact CD1-CB 4.48Å; I518-L522 HydrophobicContact CD1-CD2 4.1Å; I518-L522 HydrophobicContact CD1-CG 4.06Å; I518-L522 HydrophobicContact CG1-CB 4.17Å; I518-L522 HydrophobicContact CG1-CD2 3.98Å; I518-L522 HydrophobicContact CG1-CG 4.16Å; I518-K523 HydrophobicContact CD1-CB 4.37Å; I518-K523 HydrophobicContact CG1-CB 4.41Å; I518-K523 HydrophobicContact CG2-CB 4.05Å; I518-K523 HydrophobicContact CG2-CD 4.27Å; I518-I526 HydrophobicContact CD1-CD1 3.83Å
519S84.1Confident67.1Low37 Ų3782.4 Ų82.426%0.25943%0.427SS..PPolyproline II helixtrans-60149.6178.7780000110.4D446 T517 R521 L522 K523D446-S519 WeakPolarHBondContact OD1-CB 3.36Å; D446-S519 PolarHBondContact OD1-OG 3.17Å; T517-S519 PolarHBondContact O-N 3.3Å; S519-R521 VanDerWaalsContact C-N 3.25Å; S519-R521 PolarHBondContact O-N 3.17Å; S519-L522 PolarHBondContact O-N 3.47Å; S519-L522 WeakPolarHBondContact OG-CB 3.5Å; S519-L522 PolarHBondContact OG-N 2.68Å; S519-K523 WeakPolarHBondContact O-CB 3.33Å; S519-K523 PolarHBondContact O-N 3.09Å
520F85.4Confident70Confident164 Ų16471.8 Ų71.872%0.71938%0.381SS*.Hα-helixtrans-56.7-44.5175.5177.5-95.3000110.8L522 K523 D524F520-L522 PolarHBondContact O-N 3.48Å; F520-K523 PolarHBondContact O-N 3.33Å; F520-D524 HydrophobicContact CE1-CB 4.4Å; F520-D524 WeakPolarHBondContact O-CB 3.47Å; F520-D524 PolarHBondContact O-N 3.17Å
521R88.4Confident73.3Confident142 Ų14266.7 Ų66.754%0.53635%0.35SS..Hα-helixtrans-59.1-48.9179.9-175.5-174.5178.5-166.71.8112.3D446 S519 D524 F525D446-R521 WeakPolarHBondContact OD2-CD 3.39Å; D446-R521 IonicContact OD2-NH1 2.71Å; S519-R521 VanDerWaalsContact C-N 3.25Å; S519-R521 PolarHBondContact O-N 3.17Å; R521-D524 PolarHBondContact O-N 2.94Å; R521-F525 WeakPolarHBondContact O-CB 3.23Å; R521-F525 PolarHBondContact O-N 3.49Å
522L89.5Confident76.4Confident1 Ų160 Ų601%0.00531%0.308CS..Hα-helixtrans-68.3-41.1-179.2-17860.4000111.4I428 L449 M453 I518 S519 F520 F525 I526I428-L522 HydrophobicContact CG2-CD1 3.95Å; I428-L522 HydrophobicContact CG2-CD2 3.88Å; I428-L522 HydrophobicContact CG2-CG 4.39Å; L449-L522 HydrophobicContact CB-CD1 4.49Å; L449-L522 HydrophobicContact CB-CD2 3.85Å; L449-L522 HydrophobicContact CD1-CD2 4Å; M453-L522 HydrophobicContact CB-CD1 4.1Å; M453-L522 HydrophobicContact CG-CD1 4.33Å; I518-L522 HydrophobicContact CD1-CB 4.48Å; I518-L522 HydrophobicContact CD1-CD2 4.1Å; I518-L522 HydrophobicContact CD1-CG 4.06Å; I518-L522 HydrophobicContact CG1-CB 4.17Å; I518-L522 HydrophobicContact CG1-CD2 3.98Å; I518-L522 HydrophobicContact CG1-CG 4.16Å; S519-L522 PolarHBondContact O-N 3.47Å; S519-L522 WeakPolarHBondContact OG-CB 3.5Å; S519-L522 PolarHBondContact OG-N 2.68Å; F520-L522 PolarHBondContact O-N 3.48Å; L522-F525 WeakPolarHBondContact O-CB 3.31Å; L522-F525 PolarHBondContact O-N 2.9Å; L522-I526 HydrophobicContact CD1-CD1 4.29Å; L522-I526 HydrophobicContact CG-CD1 4.05Å; L522-I526 VanDerWaalsContact O-CG1 3.3Å; L522-I526 WeakPolarHBondContact O-CG1 3.27Å; L522-I526 PolarHBondContact O-N 2.96Å
523K89.8Confident79.3Confident78 Ų7852.9 Ų52.934%0.33928%0.275SS..Hα-helixtrans-59.4-48174.3177.7174.9-179.6-174.90111.2L489 I518 S519 F520 F525 I526 V527L489-K523 HydrophobicContact CD1-CG 4.21Å; L489-K523 HydrophobicContact CD2-CG 4.48Å; I518-K523 HydrophobicContact CD1-CB 4.37Å; I518-K523 HydrophobicContact CG1-CB 4.41Å; I518-K523 HydrophobicContact CG2-CB 4.05Å; I518-K523 HydrophobicContact CG2-CD 4.27Å; S519-K523 WeakPolarHBondContact O-CB 3.33Å; S519-K523 PolarHBondContact O-N 3.09Å; F520-K523 PolarHBondContact O-N 3.33Å; K523-F525 VanDerWaalsContact C-N 3.32Å; K523-F525 PolarHBondContact O-N 2.73Å; K523-I526 PolarHBondContact O-N 2.96Å; K523-V527 HydrophobicContact CG-CG2 4.44Å; K523-V527 WeakPolarHBondContact O-CB 3.33Å; K523-V527 VanDerWaalsContact O-CG2 3.28Å; K523-V527 WeakPolarHBondContact O-CG2 3.23Å; K523-V527 PolarHBondContact O-N 3.27Å
524D89.4Confident82.2Confident65 Ų6547.2 Ų47.235%0.34824%0.238SC..Hα-helixtrans-58.2-46.8177.6-166.670.9000110.6F520 R521 I526 V527 H528F520-D524 HydrophobicContact CE1-CB 4.4Å; F520-D524 WeakPolarHBondContact O-CB 3.47Å; F520-D524 PolarHBondContact O-N 3.17Å; R521-D524 PolarHBondContact O-N 2.94Å; D524-I526 PolarHBondContact O-N 2.98Å; D524-V527 PolarHBondContact O-N 3.15Å; D524-H528 VanDerWaalsContact CG-CE1 3.47Å; D524-H528 WeakPolarHBondContact O-CB 2.92Å; D524-H528 PolarHBondContact O-N 3Å; D524-H528 PolarHBondContact O-ND1 3.03Å; D524-H528 IonicContact OD1-CE1 3.12Å; D524-H528 PolarHBondContact OD1-CE1 2.67Å; D524-H528 IonicContact OD1-ND1 3.82Å; D524-H528 PolarHBondContact OD1-ND1 3.16Å; D524-H528 VanDerWaalsContact OD1-ND1 3.16Å; D524-H528 IonicContact OD1-NE2 2.82Å; D524-H528 IonicContact OD2-CE1 3.89Å; D524-H528 IonicContact OD2-ND1 3.48Å
525F89.3Confident85Confident35 Ų3540.6 Ų40.615%0.15420%0.204CC..Hα-helixtrans-55.2-53.6175.9-154.6-38.3000111.5M453 A454 V457 R521 L522 K523 V527 H528 H529M453-F525 HydrophobicContact CG-CD1 3.93Å; M453-F525 HydrophobicContact CG-CE1 4.3Å; M453-F525 HydrophobicContact CG-CG 4.13Å; A454-F525 HydrophobicContact CB-CE2 4.31Å; A454-F525 HydrophobicContact CB-CZ 3.95Å; V457-F525 HydrophobicContact CB-CE1 4.24Å; V457-F525 HydrophobicContact CG1-CE1 4.18Å; V457-F525 HydrophobicContact CG2-CD1 4.29Å; V457-F525 HydrophobicContact CG2-CE1 3.87Å; R521-F525 WeakPolarHBondContact O-CB 3.23Å; R521-F525 PolarHBondContact O-N 3.49Å; L522-F525 WeakPolarHBondContact O-CB 3.31Å; L522-F525 PolarHBondContact O-N 2.9Å; K523-F525 VanDerWaalsContact C-N 3.32Å; K523-F525 PolarHBondContact O-N 2.73Å; F525-V527 VanDerWaalsContact C-N 3.34Å; F525-V527 PolarHBondContact O-N 2.91Å; F525-H528 PolarHBondContact O-N 2.95Å; F525-H529 HydrophobicContact CD1-CB 3.94Å; F525-H529 AromaticContact CD1-CD2 3.29Å; F525-H529 WeakPolarHBondContact CD1-CD2 3.35Å; F525-H529 AromaticContact CD1-CG 3.83Å; F525-H529 HydrophobicContact CE1-CB 4Å; F525-H529 AromaticContact CE1-CD2 3.48Å; F525-H529 VanDerWaalsContact CE1-CD2 3.48Å; F525-H529 WeakPolarHBondContact CE1-CD2 3.43Å; F525-H529 AromaticContact CE1-CG 3.77Å; F525-H529 WeakPolarHBondContact O-CB 3.33Å; F525-H529 PolarHBondContact O-CD2 2.9Å; F525-H529 PolarHBondContact O-N 3.38Å
526I93.4Very high87.2Confident0 Ų041.7 Ų41.70%020%0.202CC..Hα-helixtrans-59.8-45.3-178.9-66.9162.2000111I429 M453 I485 I518 L522 K523 D524 L530 I531I429-I526 HydrophobicContact CD1-CD1 4.21Å; I429-I526 HydrophobicContact CG1-CD1 3.74Å; M453-I526 HydrophobicContact CE-CB 4.26Å; M453-I526 HydrophobicContact CE-CG1 3.69Å; M453-I526 HydrophobicContact CG-CG1 4.4Å; M453-I526 HydrophobicContact SD-CG1 3.81Å; I485-I526 HydrophobicContact CG2-CG2 3.85Å; I518-I526 HydrophobicContact CD1-CD1 3.83Å; L522-I526 HydrophobicContact CD1-CD1 4.29Å; L522-I526 HydrophobicContact CG-CD1 4.05Å; L522-I526 VanDerWaalsContact O-CG1 3.3Å; L522-I526 WeakPolarHBondContact O-CG1 3.27Å; L522-I526 PolarHBondContact O-N 2.96Å; K523-I526 PolarHBondContact O-N 2.96Å; D524-I526 PolarHBondContact O-N 2.98Å; I526-L530 WeakPolarHBondContact O-CB 3.35Å; I526-L530 PolarHBondContact O-N 3.45Å; I526-L530 VanDerWaalsContact O-N 3.09Å; I526-I531 HydrophobicContact CG2-CD1 4.02Å; I526-I531 HydrophobicContact CG2-CG1 4.23Å; I526-I531 PolarHBondContact O-N 2.85Å; I526-I531 VanDerWaalsContact O-N 3.12Å
527V93.4Very high88.9Confident13 Ų1340.3 Ų40.38%0.07919%0.19CC..Iπ-helixtrans-62.8-49.2-179168.30000111L489 K523 D524 F525 I531 F532 L562L489-V527 HydrophobicContact CD2-CG2 4.07Å; K523-V527 HydrophobicContact CG-CG2 4.44Å; K523-V527 WeakPolarHBondContact O-CB 3.33Å; K523-V527 VanDerWaalsContact O-CG2 3.28Å; K523-V527 WeakPolarHBondContact O-CG2 3.23Å; K523-V527 PolarHBondContact O-N 3.27Å; D524-V527 PolarHBondContact O-N 3.15Å; F525-V527 VanDerWaalsContact C-N 3.34Å; F525-V527 PolarHBondContact O-N 2.91Å; V527-I531 HydrophobicContact CG2-CD1 4.1Å; V527-I531 PolarHBondContact O-N 2.94Å; V527-F532 HydrophobicContact CG1-CD1 4.25Å; V527-F532 HydrophobicContact CG1-CD2 4.18Å; V527-F532 HydrophobicContact CG1-CE1 3.73Å; V527-F532 HydrophobicContact CG1-CE2 3.61Å; V527-F532 HydrophobicContact CG1-CG 4.46Å; V527-F532 HydrophobicContact CG1-CZ 3.38Å; V527-F532 WeakPolarHBondContact O-CG 3.5Å; V527-F532 PolarHBondContact O-N 3.05Å; V527-L562 HydrophobicContact CG1-CD2 3.7Å; V527-L562 HydrophobicContact CG2-CD2 4.03Å
528H90.4Very high89.6Confident47 Ų4735.9 Ų35.922%0.21816%0.163CC..Iπ-helixtrans-74.4-40-173.1-74.378.3000113.6D524 F525 P533 R569D524-H528 VanDerWaalsContact CG-CE1 3.47Å; D524-H528 WeakPolarHBondContact O-CB 2.92Å; D524-H528 PolarHBondContact O-N 3Å; D524-H528 PolarHBondContact O-ND1 3.03Å; D524-H528 IonicContact OD1-CE1 3.12Å; D524-H528 PolarHBondContact OD1-CE1 2.67Å; D524-H528 IonicContact OD1-ND1 3.82Å; D524-H528 PolarHBondContact OD1-ND1 3.16Å; D524-H528 VanDerWaalsContact OD1-ND1 3.16Å; D524-H528 IonicContact OD1-NE2 2.82Å; D524-H528 IonicContact OD2-CE1 3.89Å; D524-H528 IonicContact OD2-ND1 3.48Å; F525-H528 PolarHBondContact O-N 2.95Å; H528-P533 WeakPolarHBondContact O-CD 3.5Å; H528-R569 PolarHBondContact CD2-NH1 3.09Å; H528-R569 PolarHBondContact CE1-NH2 3.07Å; H528-R569 PolarHBondContact NE2-NH1 2.73Å; H528-R569 PolarHBondContact NE2-NH2 2.75Å
529H90.1Very high89.7Confident56 Ų5637.2 Ų37.226%0.25917%0.171SC..Iπ-helixtrans-100-15.4-169.8-66.7-74.9000114.2V457 H461 F525V457-H529 HydrophobicContact CG1-CB 3.69Å; V457-H529 HydrophobicContact CG2-CB 4.04Å; H461-H529 PolarHBondContact CE1-O 2.94Å; H461-H529 VanDerWaalsContact CE1-O 3.31Å; H461-H529 AromaticContact NE2-CG 3.99Å; H461-H529 AromaticContact NE2-ND1 3.47Å; H461-H529 PolarHBondContact NE2-ND1 3.1Å; H461-H529 PolarHBondContact NE2-O 2.76Å; F525-H529 HydrophobicContact CD1-CB 3.94Å; F525-H529 AromaticContact CD1-CD2 3.29Å; F525-H529 WeakPolarHBondContact CD1-CD2 3.35Å; F525-H529 AromaticContact CD1-CG 3.83Å; F525-H529 HydrophobicContact CE1-CB 4Å; F525-H529 AromaticContact CE1-CD2 3.48Å; F525-H529 VanDerWaalsContact CE1-CD2 3.48Å; F525-H529 WeakPolarHBondContact CE1-CD2 3.43Å; F525-H529 AromaticContact CE1-CG 3.77Å; F525-H529 WeakPolarHBondContact O-CB 3.33Å; F525-H529 PolarHBondContact O-CD2 2.9Å; F525-H529 PolarHBondContact O-N 3.38Å
530L93.5Very high89.7Confident0 Ų044.9 Ų44.90%020%0.199CC..Iπ-helixtrans-118.7-60.4173.3-65.9-171.9000112.2V425 M453 V457 F460 I485 I526 F532 P533 M534V425-L530 HydrophobicContact CB-CD1 4.34Å; V425-L530 HydrophobicContact CG1-CD1 4.04Å; V425-L530 HydrophobicContact CG2-CD1 3.39Å; M453-L530 HydrophobicContact CE-CD1 3.17Å; M453-L530 HydrophobicContact CE-CD2 4.43Å; M453-L530 HydrophobicContact CE-CG 3.47Å; M453-L530 VanDerWaalsContact CE-CG 3.47Å; V457-L530 HydrophobicContact CG2-CD2 4Å; V457-L530 HydrophobicContact CG2-CG 4.1Å; F460-L530 HydrophobicContact CB-CD2 3.86Å; F460-L530 HydrophobicContact CD1-CD2 3.24Å; F460-L530 HydrophobicContact CD2-CD2 4.16Å; F460-L530 HydrophobicContact CE1-CD2 3.71Å; F460-L530 HydrophobicContact CG-CD2 3.47Å; F460-L530 VanDerWaalsContact CG-CD2 3.47Å; F460-L530 HydrophobicContact CZ-CD2 4.33Å; I485-L530 HydrophobicContact CD1-CD1 4.19Å; I526-L530 WeakPolarHBondContact O-CB 3.35Å; I526-L530 PolarHBondContact O-N 3.45Å; I526-L530 VanDerWaalsContact O-N 3.09Å; L530-F532 PolarHBondContact O-N 3.25Å; L530-P533 VanDerWaalsContact O-CD 3.31Å; L530-P533 WeakPolarHBondContact O-CD 3.33Å; L530-M534 HydrophobicContact CB-CE 4.3Å; L530-M534 WeakPolarHBondContact O-CB 3.17Å; L530-M534 WeakPolarHBondContact O-CG 3.34Å; L530-M534 PolarHBondContact O-N 2.67Å
531I94.6Very high89.7Confident0 Ų044.9 Ų44.90%020%0.195CC..Iπ-helixtrans-64.1-47.5-167.8-62.5178.4000111.1L482 I485 V486 L489 I526 V527 M534 I535 L562L482-I531 HydrophobicContact CD1-CG2 3.91Å; I485-I531 HydrophobicContact CG2-CD1 4.14Å; I485-I531 HydrophobicContact CG2-CG1 4.17Å; V486-I531 HydrophobicContact CG2-CD1 4.08Å; V486-I531 HydrophobicContact CG2-CG2 4.4Å; L489-I531 HydrophobicContact CD2-CD1 3.97Å; I526-I531 HydrophobicContact CG2-CD1 4.02Å; I526-I531 HydrophobicContact CG2-CG1 4.23Å; I526-I531 PolarHBondContact O-N 2.85Å; I526-I531 VanDerWaalsContact O-N 3.12Å; V527-I531 HydrophobicContact CG2-CD1 4.1Å; V527-I531 PolarHBondContact O-N 2.94Å; I531-M534 WeakPolarHBondContact O-CB 3.25Å; I531-M534 PolarHBondContact O-N 2.91Å; I531-I535 HydrophobicContact CG2-CD1 3.74Å; I531-I535 HydrophobicContact CG2-CG1 4.27Å; I531-I535 WeakPolarHBondContact O-CG1 3.4Å; I531-I535 PolarHBondContact O-N 2.99Å; I531-L562 HydrophobicContact CD1-CD1 4.3Å; I531-L562 HydrophobicContact CG2-CB 4.48Å; I531-L562 HydrophobicContact CG2-CD1 4.06Å
532F93.8Very high89.6Confident7 Ų738.1 Ų38.13%0.03117%0.169CC..Hα-helixtrans-63.1-47.3179.8-70-22.8000113.3V527 L530 M534 I535 R536 L562 D565 A566 R569V527-F532 HydrophobicContact CG1-CD1 4.25Å; V527-F532 HydrophobicContact CG1-CD2 4.18Å; V527-F532 HydrophobicContact CG1-CE1 3.73Å; V527-F532 HydrophobicContact CG1-CE2 3.61Å; V527-F532 HydrophobicContact CG1-CG 4.46Å; V527-F532 HydrophobicContact CG1-CZ 3.38Å; V527-F532 WeakPolarHBondContact O-CG 3.5Å; V527-F532 PolarHBondContact O-N 3.05Å; L530-F532 PolarHBondContact O-N 3.25Å; F532-M534 VanDerWaalsContact C-N 3.3Å; F532-M534 PolarHBondContact O-N 2.75Å; F532-I535 HydrophobicContact CD1-CD1 4.46Å; F532-I535 PolarHBondContact O-N 3.15Å; F532-R536 WeakPolarHBondContact O-CG 3.4Å; F532-R536 PolarHBondContact O-N 3.17Å; F532-R536 PolarHBondContact O-NE 2.97Å; F532-L562 HydrophobicContact CE1-CD2 4.02Å; F532-D565 HydrophobicContact CE1-CB 4.14Å; F532-D565 HydrophobicContact CZ-CB 4.03Å; F532-A566 HydrophobicContact CD1-CB 3.89Å; F532-A566 HydrophobicContact CE1-CB 4.25Å; F532-R569 VanDerWaalsContact CE2-CZ 3.5Å
533P90.3Very high89.5Confident1 Ų139 Ų391%0.00617%0.174CC..Hα-helixtrans-56-41.4170-26.933.2000113.4F460 I465 H528 L530 R536 A537F460-P533 HydrophobicContact CE1-CB 3.91Å; F460-P533 HydrophobicContact CE1-CG 4.42Å; F460-P533 HydrophobicContact CZ-CB 4.4Å; I465-P533 HydrophobicContact CD1-CB 4.07Å; H528-P533 WeakPolarHBondContact O-CD 3.5Å; L530-P533 VanDerWaalsContact O-CD 3.31Å; L530-P533 WeakPolarHBondContact O-CD 3.33Å; P533-R536 PolarHBondContact O-N 2.69Å; P533-A537 WeakPolarHBondContact O-CB 3.43Å; P533-A537 PolarHBondContact O-N 3.27Å
534M92.8Very high89.4Confident1 Ų136.8 Ų36.81%0.00517%0.172CC..Hα-helixtrans-61.6-44.8176.6-73.2180-175.900112.3F460 I478 P481 L482 I485 L530 I531 F532 R536 A537 C538F460-M534 HydrophobicContact CD2-CE 4.21Å; F460-M534 HydrophobicContact CE2-CE 3.49Å; F460-M534 VanDerWaalsContact CE2-CE 3.49Å; F460-M534 HydrophobicContact CE2-CG 4.08Å; F460-M534 HydrophobicContact CZ-CE 3.71Å; F460-M534 HydrophobicContact CZ-CG 3.56Å; I478-M534 HydrophobicContact CG2-CB 3.49Å; I478-M534 VanDerWaalsContact CG2-CB 3.49Å; I478-M534 HydrophobicContact CG2-CG 3.59Å; I478-M534 HydrophobicContact CG2-SD 4.26Å; P481-M534 HydrophobicContact CB-CE 4.12Å; P481-M534 HydrophobicContact CB-SD 4.34Å; L482-M534 HydrophobicContact CB-CB 4.49Å; L482-M534 HydrophobicContact CB-SD 4.21Å; L482-M534 HydrophobicContact CD1-CB 4.13Å; L482-M534 HydrophobicContact CD1-SD 4.45Å; I485-M534 HydrophobicContact CD1-CE 3.9Å; I485-M534 HydrophobicContact CD1-SD 4.25Å; L530-M534 HydrophobicContact CB-CE 4.3Å; L530-M534 WeakPolarHBondContact O-CB 3.17Å; L530-M534 WeakPolarHBondContact O-CG 3.34Å; L530-M534 PolarHBondContact O-N 2.67Å; I531-M534 WeakPolarHBondContact O-CB 3.25Å; I531-M534 PolarHBondContact O-N 2.91Å; F532-M534 VanDerWaalsContact C-N 3.3Å; F532-M534 PolarHBondContact O-N 2.75Å; M534-R536 VanDerWaalsContact C-N 3.29Å; M534-R536 PolarHBondContact O-N 3.24Å; M534-A537 PolarHBondContact O-N 3.38Å; M534-C538 PolarHBondContact O-N 3.45Å; M534-C538 VanDerWaalsContact O-N 3.12Å; M534-C538 PolarHBondContact O-SG 2.93Å; M534-C538 VanDerWaalsContact O-SG 3.4Å
535I91.7Very high89.3Confident17 Ų1736.8 Ų36.89%0.08717%0.17CC..Hα-helixtrans-61.3-40.4177.1-71.9171.8000110.8L482 I531 F532 C538 M543 L562 I563 A566L482-I535 HydrophobicContact CD1-CG1 4.25Å; L482-I535 HydrophobicContact CD2-CG1 4.2Å; I531-I535 HydrophobicContact CG2-CD1 3.74Å; I531-I535 HydrophobicContact CG2-CG1 4.27Å; I531-I535 WeakPolarHBondContact O-CG1 3.4Å; I531-I535 PolarHBondContact O-N 2.99Å; F532-I535 HydrophobicContact CD1-CD1 4.46Å; F532-I535 PolarHBondContact O-N 3.15Å; I535-C538 PolarHBondContact O-N 3.4Å; I535-M543 HydrophobicContact CB-CE 4.2Å; I535-M543 HydrophobicContact CG1-CE 4.1Å; I535-M543 HydrophobicContact CG2-CE 4.05Å; I535-L562 HydrophobicContact CD1-CB 3.93Å; I535-I563 HydrophobicContact CD1-CG1 4.1Å; I535-I563 HydrophobicContact CG1-CG1 4.47Å; I535-I563 HydrophobicContact CG2-CG1 4.25Å; I535-A566 HydrophobicContact CB-CB 4.49Å; I535-A566 HydrophobicContact CG2-CB 3.87Å
536R88.1Confident89.3Confident66 Ų6635.1 Ų35.125%0.24916%0.163CC..Hα-helixtrans-69.1-33.9179.3-74.8-175.8-87.1155.7-5.6113.1E466 F532 P533 M534 N570 I579E466-R536 HydrophobicContact CG-CB 4.48Å; E466-R536 WeakPolarHBondContact OE1-CB 3.37Å; E466-R536 WeakPolarHBondContact OE1-CD 3.24Å; E466-R536 IonicContact OE1-CZ 3.23Å; E466-R536 IonicContact OE1-NE 2.72Å; E466-R536 PolarHBondContact OE1-NE 3.16Å; E466-R536 VanDerWaalsContact OE1-NE 3.12Å; E466-R536 IonicContact OE1-NH1 2.72Å; E466-R536 PolarHBondContact OE1-NH1 3.02Å; E466-R536 IonicContact OE1-NH2 3.27Å; E466-R536 IonicContact OE2-NH1 2.7Å; E466-R536 PolarHBondContact OE2-NH1 3.45Å; F532-R536 WeakPolarHBondContact O-CG 3.4Å; F532-R536 PolarHBondContact O-N 3.17Å; F532-R536 PolarHBondContact O-NE 2.97Å; P533-R536 PolarHBondContact O-N 2.69Å; M534-R536 VanDerWaalsContact C-N 3.29Å; M534-R536 PolarHBondContact O-N 3.24Å; R536-N570 WeakPolarHBondContact CD-OD1 3.29Å; R536-I579 VanDerWaalsContact NH1-CD1 3.27Å
537A86.5Confident89Confident0 Ų038.3 Ų38.30%018%0.177CC..Hα-helixtrans-79.6-17.1176.900000114I465 Y471 S475 I478 P533 M534I465-A537 HydrophobicContact CB-CB 4.17Å; I465-A537 HydrophobicContact CD1-CB 3.77Å; I465-A537 HydrophobicContact CG1-CB 4.01Å; I465-A537 WeakPolarHBondContact O-CB 3.28Å; Y471-A537 WeakPolarHBondContact CE2-O 3.21Å; S475-A537 WeakPolarHBondContact CA-O 3.48Å; S475-A537 VanDerWaalsContact CB-O 3.32Å; S475-A537 WeakPolarHBondContact CB-O 3.27Å; I478-A537 HydrophobicContact CD1-CB 3.71Å; P533-A537 WeakPolarHBondContact O-CB 3.43Å; P533-A537 PolarHBondContact O-N 3.27Å; M534-A537 PolarHBondContact O-N 3.38Å
538C85Confident88.7Confident11 Ų1143.7 Ų43.77%0.07420%0.204CC..SBendtrans-80.7122.4178.6-80.10000112Y471 M534 I535 M543Y471-C538 PolarHBondContact OH-O 2.96Å; M534-C538 PolarHBondContact O-N 3.45Å; M534-C538 VanDerWaalsContact O-N 3.12Å; M534-C538 PolarHBondContact O-SG 2.93Å; M534-C538 VanDerWaalsContact O-SG 3.4Å; I535-C538 PolarHBondContact O-N 3.4Å; C538-M543 HydrophobicContact CB-CB 4.33Å; C538-M543 HydrophobicContact CB-CE 3.59Å
539D83.8Confident88.3Confident40 Ų4043.1 Ų43.121%0.21421%0.212CC..  trans-63.8166167.873.452.1000112.4Y471 S475 W541 A542 M543Y471-D539 HydrophobicContact CE1-CB 3.94Å; Y471-D539 WeakPolarHBondContact OH-CA 3.5Å; Y471-D539 PolarHBondContact OH-N 2.97Å; S475-D539 WeakPolarHBondContact OG-CB 3.28Å; S475-D539 PolarHBondContact OG-N 2.98Å; S475-D539 PolarHBondContact OG-OD2 3.39Å; D539-W541 PolarHBondContact O-N 3.27Å; D539-W541 VanDerWaalsContact OD1-CA 3.3Å; D539-W541 WeakPolarHBondContact OD1-CA 3.41Å; D539-W541 VanDerWaalsContact OD1-CB 3.29Å; D539-W541 WeakPolarHBondContact OD1-CB 3.2Å; D539-W541 PolarHBondContact OD1-N 3.09Å; D539-A542 PolarHBondContact O-N 2.93Å; D539-A542 PolarHBondContact OD1-N 3.29Å; D539-M543 VanDerWaalsContact O-CB 3.26Å; D539-M543 WeakPolarHBondContact O-CB 3.45Å; D539-M543 PolarHBondContact O-N 2.85Å
540K84.7Confident88.3Confident199 Ų19941 Ų4187%0.86520%0.202SC*.Hα-helixtrans-57.8-35-177.8-68-178-179.1176.30112.8G544K540-G544 PolarHBondContact O-N 2.74Å
541W85.1Confident87.9Confident163 Ų16348.7 Ų48.762%0.61724%0.236SC*.Hα-helixtrans-73.4-50.2-179.7-179.891.9000110.8D539 M543 G544 Q545D539-W541 PolarHBondContact O-N 3.27Å; D539-W541 VanDerWaalsContact OD1-CA 3.3Å; D539-W541 WeakPolarHBondContact OD1-CA 3.41Å; D539-W541 VanDerWaalsContact OD1-CB 3.29Å; D539-W541 WeakPolarHBondContact OD1-CB 3.2Å; D539-W541 PolarHBondContact OD1-N 3.09Å; W541-M543 VanDerWaalsContact C-N 3.31Å; W541-M543 PolarHBondContact O-N 3.2Å; W541-G544 WeakPolarHBondContact O-CA 3.47Å; W541-G544 PolarHBondContact O-N 3.02Å; W541-G544 VanDerWaalsContact O-N 3.11Å; W541-Q545 HydrophobicContact CD2-CG 4.06Å; W541-Q545 HydrophobicContact CE3-CG 4.19Å; W541-Q545 HydrophobicContact CH2-CG 3.97Å; W541-Q545 HydrophobicContact CZ2-CG 3.84Å; W541-Q545 HydrophobicContact CZ3-CG 4.14Å; W541-Q545 WeakPolarHBondContact O-CG 3.29Å; W541-Q545 PolarHBondContact O-N 2.95Å
542A85.8Confident87.6Confident0 Ų051.9 Ų51.90%026%0.256CS..Hα-helixtrans-59.4-42.7177.300000111.3S475 D539 Q545 A546S475-A542 WeakPolarHBondContact O-CB 3.49Å; S475-A542 WeakPolarHBondContact OG-CB 3.28Å; D539-A542 PolarHBondContact O-N 2.93Å; D539-A542 PolarHBondContact OD1-N 3.29Å; A542-Q545 WeakPolarHBondContact O-CB 3.42Å; A542-Q545 PolarHBondContact O-N 3.31Å; A542-A546 PolarHBondContact O-N 3.06Å
543M89Confident87.2Confident21 Ų2159 Ų5910%0.10329%0.289CS..Hα-helixtrans-64.9-40.2174.4-174.256.262.200112.4L482 I535 C538 D539 W541 Q545 A546 K547 I563L482-M543 HydrophobicContact CD2-CE 3.96Å; I535-M543 HydrophobicContact CB-CE 4.2Å; I535-M543 HydrophobicContact CG1-CE 4.1Å; I535-M543 HydrophobicContact CG2-CE 4.05Å; C538-M543 HydrophobicContact CB-CB 4.33Å; C538-M543 HydrophobicContact CB-CE 3.59Å; D539-M543 VanDerWaalsContact O-CB 3.26Å; D539-M543 WeakPolarHBondContact O-CB 3.45Å; D539-M543 PolarHBondContact O-N 2.85Å; W541-M543 VanDerWaalsContact C-N 3.31Å; W541-M543 PolarHBondContact O-N 3.2Å; M543-Q545 VanDerWaalsContact C-N 3.32Å; M543-Q545 PolarHBondContact O-N 3.46Å; M543-A546 WeakPolarHBondContact O-CB 3.39Å; M543-A546 PolarHBondContact O-N 2.86Å; M543-K547 WeakPolarHBondContact O-CG 3.41Å; M543-K547 PolarHBondContact O-N 3.09Å; M543-K547 VanDerWaalsContact O-N 3.07Å; M543-I563 HydrophobicContact CG-CD1 4.15Å; M543-I563 HydrophobicContact SD-CD1 3.4Å; M543-I563 WeakPolarHBondContact SD-CD1 3.27Å; M543-I563 HydrophobicContact SD-CG1 4.01Å
544G87.6Confident87Confident30 Ų3061.3 Ų61.331%0.30931%0.305SS..Hα-helixtrans-59.8-43.7173.100000111.9K540 W541 K547 L548K540-G544 PolarHBondContact O-N 2.74Å; W541-G544 WeakPolarHBondContact O-CA 3.47Å; W541-G544 PolarHBondContact O-N 3.02Å; W541-G544 VanDerWaalsContact O-N 3.11Å; G544-K547 PolarHBondContact O-N 3.2Å; G544-L548 WeakPolarHBondContact O-CG 3.28Å; G544-L548 PolarHBondContact O-N 3.15Å
545Q87.6Confident87Confident65 Ų6561.2 Ų61.230%0.30430%0.304SS..Hα-helixtrans-65.2-38.8175-68.4-61.7-42.400112.3K479 W541 A542 M543 K547 L548 G549K479-Q545 HydrophobicContact CD-CB 3.87Å; W541-Q545 HydrophobicContact CD2-CG 4.06Å; W541-Q545 HydrophobicContact CE3-CG 4.19Å; W541-Q545 HydrophobicContact CH2-CG 3.97Å; W541-Q545 HydrophobicContact CZ2-CG 3.84Å; W541-Q545 HydrophobicContact CZ3-CG 4.14Å; W541-Q545 WeakPolarHBondContact O-CG 3.29Å; W541-Q545 PolarHBondContact O-N 2.95Å; A542-Q545 WeakPolarHBondContact O-CB 3.42Å; A542-Q545 PolarHBondContact O-N 3.31Å; M543-Q545 VanDerWaalsContact C-N 3.32Å; M543-Q545 PolarHBondContact O-N 3.46Å; Q545-K547 VanDerWaalsContact C-N 3.35Å; Q545-K547 PolarHBondContact O-N 3.47Å; Q545-L548 PolarHBondContact O-N 3.33Å; Q545-G549 PolarHBondContact O-N 2.95Å
546A87.7Confident87Confident0 Ų063.9 Ų63.90%032%0.315CS..Hα-helixtrans-58.9-45.1175.400000112.2K479 E483 A542 M543 L548 G549 I550 L559K479-A546 HydrophobicContact CG-CB 4.12Å; E483-A546 HydrophobicContact CG-CB 4.26Å; E483-A546 VanDerWaalsContact OE1-CA 3.28Å; E483-A546 WeakPolarHBondContact OE1-CA 3.39Å; A542-A546 PolarHBondContact O-N 3.06Å; M543-A546 WeakPolarHBondContact O-CB 3.39Å; M543-A546 PolarHBondContact O-N 2.86Å; A546-L548 VanDerWaalsContact C-N 3.25Å; A546-L548 PolarHBondContact O-N 3.49Å; A546-G549 PolarHBondContact O-N 3.41Å; A546-I550 WeakPolarHBondContact O-CB 3.15Å; A546-I550 WeakPolarHBondContact O-CG2 3.42Å; A546-I550 PolarHBondContact O-N 2.86Å; A546-L559 HydrophobicContact CB-CD2 4.39Å
547K88.2Confident87Confident68 Ų6863.3 Ų63.330%0.29632%0.324SS..Hα-helixtrans-64.3-27.7177.5-71.2178.5177.7-169.10114M543 G544 Q545 K556 L559 N560 I563M543-K547 WeakPolarHBondContact O-CG 3.41Å; M543-K547 PolarHBondContact O-N 3.09Å; M543-K547 VanDerWaalsContact O-N 3.07Å; G544-K547 PolarHBondContact O-N 3.2Å; Q545-K547 VanDerWaalsContact C-N 3.35Å; Q545-K547 PolarHBondContact O-N 3.47Å; K547-K556 VanDerWaalsContact O-CE 3.22Å; K547-K556 WeakPolarHBondContact O-CE 3.45Å; K547-K556 PolarHBondContact O-NZ 2.83Å; K547-L559 HydrophobicContact CG-CD2 4.16Å; K547-N560 WeakPolarHBondContact CE-OD1 3.47Å; K547-I563 HydrophobicContact CD-CD1 4.5Å
548L86.4Confident87.3Confident125 Ų12564.2 Ų64.265%0.65433%0.329SS*.Hα-helixtrans-83.2-39.7177.1-68.7173.1000111.7G544 Q545 A546G544-L548 WeakPolarHBondContact O-CG 3.28Å; G544-L548 PolarHBondContact O-N 3.15Å; Q545-L548 PolarHBondContact O-N 3.33Å; A546-L548 VanDerWaalsContact C-N 3.25Å; A546-L548 PolarHBondContact O-N 3.49Å
549G82Confident87.8Confident36 Ų3663.7 Ų63.737%0.37133%0.326SS..Hα-helixtrans-77.2-31-176.400000114.5Q545 A546 K551Q545-G549 PolarHBondContact O-N 2.95Å; A546-G549 PolarHBondContact O-N 3.41Å; G549-K551 PolarHBondContact O-N 2.81Å
550I90.2Very high88.2Confident10 Ų1064.6 Ų64.65%0.05133%0.33CS..  trans-66.7131.4-170.9-160.9170.6000113.2E483 V486 A546 A555 K556 L559E483-I550 HydrophobicContact CG-CB 4.32Å; V486-I550 HydrophobicContact CB-CD1 3.85Å; V486-I550 HydrophobicContact CG1-CD1 3.66Å; A546-I550 WeakPolarHBondContact O-CB 3.15Å; A546-I550 WeakPolarHBondContact O-CG2 3.42Å; A546-I550 PolarHBondContact O-N 2.86Å; I550-A555 HydrophobicContact CD1-CB 3.85Å; I550-A555 HydrophobicContact CG1-CB 3.82Å; I550-K556 HydrophobicContact CG2-CB 3.77Å; I550-K556 HydrophobicContact CG2-CG 4.03Å; I550-L559 HydrophobicContact CD1-CB 4.15Å; I550-L559 HydrophobicContact CD1-CD2 4.06Å; I550-L559 HydrophobicContact CG2-CD2 4.18Å
551K84.9Confident88.6Confident163 Ų16360.4 Ų60.471%0.70931%0.314SS*.  trans-137.2151.9175.7-65.4180-177.6177.60109.3S487 G549S487-K551 WeakPolarHBondContact CB-O 3.37Å; S487-K551 PolarHBondContact OG-O 2.82Å; G549-K551 PolarHBondContact O-N 2.81Å
552P87.9Confident89Confident67 Ų6753 Ų5344%0.43529%0.287SS..SBendcis-74.2-178.3-4.931.8-37.4000113.9C554 A555 K556P552-C554 VanDerWaalsContact C-N 3.27Å; P552-C554 VanDerWaalsContact CG-SG 3.54Å; P552-C554 PolarHBondContact O-N 3.45Å; P552-A555 VanDerWaalsContact O-CB 3.24Å; P552-A555 WeakPolarHBondContact O-CB 3.31Å; P552-A555 PolarHBondContact O-N 2.73Å; P552-K556 PolarHBondContact O-N 2.93Å
553H86.1Confident89.3Confident156 Ų15653.6 Ų53.672%0.72229%0.29SS*.Hα-helixtrans-57.7-34.5-177.7-172.4-77.9000113.5A555 K556 A557H553-A555 VanDerWaalsContact C-N 3.29Å; H553-A555 PolarHBondContact O-N 2.73Å; H553-K556 WeakPolarHBondContact O-CB 3.45Å; H553-K556 PolarHBondContact O-N 3.14Å; H553-K556 VanDerWaalsContact O-N 3.14Å; H553-A557 PolarHBondContact O-N 3.47Å; H553-A557 VanDerWaalsContact O-N 3.09Å
554C87Confident89.4Confident49 Ų4957.3 Ų57.333%0.33131%0.309SS..Hα-helixtrans-63.8-33.5175.356.90000112.6P552 K556 A557 L558P552-C554 VanDerWaalsContact C-N 3.27Å; P552-C554 VanDerWaalsContact CG-SG 3.54Å; P552-C554 PolarHBondContact O-N 3.45Å; C554-K556 VanDerWaalsContact C-N 3.32Å; C554-K556 PolarHBondContact O-N 2.97Å; C554-A557 PolarHBondContact O-N 2.82Å; C554-L558 PolarHBondContact O-N 3.43Å
555A91.1Very high89.5Confident0 Ų058.5 Ų58.50%031%0.308CS..Hα-helixtrans-63.9-38.3172.700000111.8S490 I550 P552 H553 L558 L559S490-A555 WeakPolarHBondContact OG-CB 3.26Å; I550-A555 HydrophobicContact CD1-CB 3.85Å; I550-A555 HydrophobicContact CG1-CB 3.82Å; P552-A555 VanDerWaalsContact O-CB 3.24Å; P552-A555 WeakPolarHBondContact O-CB 3.31Å; P552-A555 PolarHBondContact O-N 2.73Å; H553-A555 VanDerWaalsContact C-N 3.29Å; H553-A555 PolarHBondContact O-N 2.73Å; A555-L558 PolarHBondContact O-N 3.25Å; A555-L559 WeakPolarHBondContact O-CB 2.98Å; A555-L559 PolarHBondContact O-N 2.9Å
556K91.5Very high89.4Confident73 Ų7355.5 Ų55.532%0.31730%0.295SS..Hα-helixtrans-64.3-41.7175.5-170.9173.7-180169.70112.1K547 I550 P552 H553 C554 L559 N560K547-K556 VanDerWaalsContact O-CE 3.22Å; K547-K556 WeakPolarHBondContact O-CE 3.45Å; K547-K556 PolarHBondContact O-NZ 2.83Å; I550-K556 HydrophobicContact CG2-CB 3.77Å; I550-K556 HydrophobicContact CG2-CG 4.03Å; P552-K556 PolarHBondContact O-N 2.93Å; H553-K556 WeakPolarHBondContact O-CB 3.45Å; H553-K556 PolarHBondContact O-N 3.14Å; H553-K556 VanDerWaalsContact O-N 3.14Å; C554-K556 VanDerWaalsContact C-N 3.32Å; C554-K556 PolarHBondContact O-N 2.97Å; K556-L559 PolarHBondContact O-N 3.34Å; K556-N560 PolarHBondContact O-N 3.3Å; K556-N560 PolarHBondContact O-ND2 3.3Å
557A90.1Very high89.3Confident53 Ų5361.5 Ų61.544%0.43832%0.321SS..Hα-helixtrans-62.3-46.817500000111.2H553 C554 L559 N560 Q561H553-A557 PolarHBondContact O-N 3.47Å; H553-A557 VanDerWaalsContact O-N 3.09Å; C554-A557 PolarHBondContact O-N 2.82Å; A557-L559 PolarHBondContact O-N 2.95Å; A557-N560 PolarHBondContact O-N 3.1Å; A557-Q561 PolarHBondContact O-N 3.16Å
558L92.4Very high89Confident20 Ų2062.3 Ų62.311%0.10533%0.327CS..Hα-helixtrans-60-45.1176.1179.359.7000112V486 L489 C554 A555 N560 Q561 L562V486-L558 HydrophobicContact CG1-CB 4.34Å; V486-L558 HydrophobicContact CG1-CD2 4.1Å; V486-L558 HydrophobicContact CG1-CG 4.14Å; L489-L558 HydrophobicContact CB-CD2 4.3Å; L489-L558 HydrophobicContact CD2-CD2 4.29Å; L489-L558 HydrophobicContact CG-CD2 4.27Å; C554-L558 PolarHBondContact O-N 3.43Å; A555-L558 PolarHBondContact O-N 3.25Å; L558-N560 VanDerWaalsContact C-N 3.34Å; L558-N560 PolarHBondContact O-N 3.49Å; L558-Q561 PolarHBondContact O-N 3.11Å; L558-L562 HydrophobicContact CD1-CD1 3.9Å; L558-L562 HydrophobicContact CD1-CG 4.15Å; L558-L562 HydrophobicContact CD2-CD1 4.48Å; L558-L562 HydrophobicContact CG-CD1 3.72Å; L558-L562 HydrophobicContact CG-CG 4.43Å; L558-L562 WeakPolarHBondContact O-CD1 3.33Å; L558-L562 VanDerWaalsContact O-CG 3.26Å; L558-L562 WeakPolarHBondContact O-CG 3.43Å; L558-L562 PolarHBondContact O-N 3.49Å
559L93.9Very high88.5Confident0 Ų061.6 Ų61.60%032%0.316CS..Hα-helixtrans-58.9-44.8176.3-179.960000111.6L482 V486 A546 K547 I550 A555 K556 A557 Q561 L562 I563L482-L559 HydrophobicContact CD1-CD1 4.48Å; L482-L559 HydrophobicContact CD2-CD1 4.27Å; L482-L559 HydrophobicContact CG-CD1 4.38Å; V486-L559 HydrophobicContact CG1-CB 4.09Å; V486-L559 HydrophobicContact CG2-CD1 4.41Å; A546-L559 HydrophobicContact CB-CD2 4.39Å; K547-L559 HydrophobicContact CG-CD2 4.16Å; I550-L559 HydrophobicContact CD1-CB 4.15Å; I550-L559 HydrophobicContact CD1-CD2 4.06Å; I550-L559 HydrophobicContact CG2-CD2 4.18Å; A555-L559 WeakPolarHBondContact O-CB 2.98Å; A555-L559 PolarHBondContact O-N 2.9Å; K556-L559 PolarHBondContact O-N 3.34Å; A557-L559 PolarHBondContact O-N 2.95Å; L559-Q561 VanDerWaalsContact C-N 3.34Å; L559-Q561 PolarHBondContact O-N 3.17Å; L559-L562 PolarHBondContact O-N 2.92Å; L559-I563 HydrophobicContact CD1-CD1 4.1Å; L559-I563 HydrophobicContact CD1-CG1 4.29Å; L559-I563 HydrophobicContact CG-CD1 3.89Å; L559-I563 WeakPolarHBondContact O-CD1 3.25Å; L559-I563 WeakPolarHBondContact O-CG1 3.1Å; L559-I563 PolarHBondContact O-N 3Å
560N92.8Very high87.9Confident58 Ų5863.7 Ų63.731%0.3132%0.318SS..Hα-helixtrans-62.8-40.8178.5-76.3-30000112.2K547 K556 A557 L558 I563 I564K547-N560 WeakPolarHBondContact CE-OD1 3.47Å; K556-N560 PolarHBondContact O-N 3.3Å; K556-N560 PolarHBondContact O-ND2 3.3Å; A557-N560 PolarHBondContact O-N 3.1Å; L558-N560 VanDerWaalsContact C-N 3.34Å; L558-N560 PolarHBondContact O-N 3.49Å; N560-I563 PolarHBondContact O-N 3.43Å; N560-I564 WeakPolarHBondContact O-CG1 3.5Å; N560-I564 PolarHBondContact O-N 3.27Å
561Q93.1Very high86.3Confident112 Ų11270.5 Ų70.552%0.52335%0.35SS..Hα-helixtrans-61-50.2174.2-176.8-179.9-000111A557 L558 L559 I563 I564 D565A557-Q561 PolarHBondContact O-N 3.16Å; L558-Q561 PolarHBondContact O-N 3.11Å; L559-Q561 VanDerWaalsContact C-N 3.34Å; L559-Q561 PolarHBondContact O-N 3.17Å; Q561-I563 PolarHBondContact O-N 2.88Å; Q561-I564 WeakPolarHBondContact O-CB 3.43Å; Q561-I564 PolarHBondContact O-N 2.85Å; Q561-D565 PolarHBondContact O-N 3.48Å
562L94.1Very high84.6Confident8 Ų869 Ų694%0.04235%0.35CS..Hα-helixtrans-60.8-32.6179.9-69162.5000112.8V486 V527 I531 F532 I535 L558 L559 A566V486-L562 HydrophobicContact CG1-CD1 4.5Å; V486-L562 HydrophobicContact CG2-CD1 4.29Å; V527-L562 HydrophobicContact CG1-CD2 3.7Å; V527-L562 HydrophobicContact CG2-CD2 4.03Å; I531-L562 HydrophobicContact CD1-CD1 4.3Å; I531-L562 HydrophobicContact CG2-CB 4.48Å; I531-L562 HydrophobicContact CG2-CD1 4.06Å; F532-L562 HydrophobicContact CE1-CD2 4.02Å; I535-L562 HydrophobicContact CD1-CB 3.93Å; L558-L562 HydrophobicContact CD1-CD1 3.9Å; L558-L562 HydrophobicContact CD1-CG 4.15Å; L558-L562 HydrophobicContact CD2-CD1 4.48Å; L558-L562 HydrophobicContact CG-CD1 3.72Å; L558-L562 HydrophobicContact CG-CG 4.43Å; L558-L562 WeakPolarHBondContact O-CD1 3.33Å; L558-L562 VanDerWaalsContact O-CG 3.26Å; L558-L562 WeakPolarHBondContact O-CG 3.43Å; L558-L562 PolarHBondContact O-N 3.49Å; L559-L562 PolarHBondContact O-N 2.92Å; L562-A566 VanDerWaalsContact O-CB 3.29Å; L562-A566 WeakPolarHBondContact O-CB 3.47Å; L562-A566 PolarHBondContact O-N 3.47Å
563I92.1Very high82Confident12 Ų1273.2 Ų73.26%0.06236%0.362CS..Hα-helixtrans-68.2-40.5174.2-69.9164.2000111.5I535 M543 K547 L559 N560 Q561 K567I535-I563 HydrophobicContact CD1-CG1 4.1Å; I535-I563 HydrophobicContact CG1-CG1 4.47Å; I535-I563 HydrophobicContact CG2-CG1 4.25Å; M543-I563 HydrophobicContact CG-CD1 4.15Å; M543-I563 HydrophobicContact SD-CD1 3.4Å; M543-I563 WeakPolarHBondContact SD-CD1 3.27Å; M543-I563 HydrophobicContact SD-CG1 4.01Å; K547-I563 HydrophobicContact CD-CD1 4.5Å; L559-I563 HydrophobicContact CD1-CD1 4.1Å; L559-I563 HydrophobicContact CD1-CG1 4.29Å; L559-I563 HydrophobicContact CG-CD1 3.89Å; L559-I563 WeakPolarHBondContact O-CD1 3.25Å; L559-I563 WeakPolarHBondContact O-CG1 3.1Å; L559-I563 PolarHBondContact O-N 3Å; N560-I563 PolarHBondContact O-N 3.43Å; Q561-I563 PolarHBondContact O-N 2.88Å; I563-K567 WeakPolarHBondContact O-CG 3.49Å; I563-K567 PolarHBondContact O-N 3.15Å; I563-K567 VanDerWaalsContact O-N 3.11Å
564I90.4Very high79.2Confident98 Ų9875.4 Ų75.450%0.50337%0.372SS..Hα-helixtrans-64.1-47.4175.9-66.4164.7000109.1N560 Q561 A566 K567 I568N560-I564 WeakPolarHBondContact O-CG1 3.5Å; N560-I564 PolarHBondContact O-N 3.27Å; Q561-I564 WeakPolarHBondContact O-CB 3.43Å; Q561-I564 PolarHBondContact O-N 2.85Å; I564-A566 VanDerWaalsContact C-N 3.33Å; I564-A566 PolarHBondContact O-N 3Å; I564-K567 PolarHBondContact O-N 2.98Å; I564-K567 VanDerWaalsContact O-N 3.15Å; I564-I568 HydrophobicContact CG2-CD1 3.78Å; I564-I568 HydrophobicContact CG2-CG1 4.46Å; I564-I568 WeakPolarHBondContact O-CG1 3.38Å; I564-I568 PolarHBondContact O-N 3.05Å
565D89.5Confident76.5Confident55 Ų5575.1 Ų75.129%0.29438%0.377SS..Hα-helixtrans-60-41.9178.9-63.6-18.3000112.1F532 Q561 R569F532-D565 HydrophobicContact CE1-CB 4.14Å; F532-D565 HydrophobicContact CZ-CB 4.03Å; Q561-D565 PolarHBondContact O-N 3.48Å; D565-R569 WeakPolarHBondContact O-CG 3.28Å; D565-R569 PolarHBondContact O-N 3.46Å; D565-R569 VanDerWaalsContact O-N 3.14Å
566A87.2Confident73.6Confident3 Ų379.9 Ų79.93%0.02541%0.408CS..Hα-helixtrans-64.5-38.5176.800000112.4F532 I535 L562 I564 R569 N570F532-A566 HydrophobicContact CD1-CB 3.89Å; F532-A566 HydrophobicContact CE1-CB 4.25Å; I535-A566 HydrophobicContact CB-CB 4.49Å; I535-A566 HydrophobicContact CG2-CB 3.87Å; L562-A566 VanDerWaalsContact O-CB 3.29Å; L562-A566 WeakPolarHBondContact O-CB 3.47Å; L562-A566 PolarHBondContact O-N 3.47Å; I564-A566 VanDerWaalsContact C-N 3.33Å; I564-A566 PolarHBondContact O-N 3Å; A566-R569 PolarHBondContact O-N 3.43Å; A566-N570 PolarHBondContact O-N 3.1Å; A566-N570 VanDerWaalsContact O-N 3.11Å
567K84.2Confident70.9Confident126 Ų12682 Ų8255%0.54843%0.43SS..Hα-helixtrans-66.3-47.6176.7-75.9177.8176.7-169.20112.2I563 I564 R569 N570 E571I563-K567 WeakPolarHBondContact O-CG 3.49Å; I563-K567 PolarHBondContact O-N 3.15Å; I563-K567 VanDerWaalsContact O-N 3.11Å; I564-K567 PolarHBondContact O-N 2.98Å; I564-K567 VanDerWaalsContact O-N 3.15Å; K567-R569 PolarHBondContact O-N 3.04Å; K567-N570 PolarHBondContact O-N 3.28Å; K567-N570 VanDerWaalsContact O-N 3.08Å; K567-E571 PolarHBondContact O-N 2.95Å
568I82.2Confident67.9Low84 Ų8485.9 Ų85.943%0.43144%0.439SS..Hα-helixtrans-57.4-39.6178.1-66.5166.9000110.3I564 N572I564-I568 HydrophobicContact CG2-CD1 3.78Å; I564-I568 HydrophobicContact CG2-CG1 4.46Å; I564-I568 WeakPolarHBondContact O-CG1 3.38Å; I564-I568 PolarHBondContact O-N 3.05Å; I568-N572 VanDerWaalsContact O-CG 3.29Å; I568-N572 PolarHBondContact O-N 3.25Å; I568-N572 PolarHBondContact O-ND2 3.38Å
569R77Confident65Low110 Ų11088.7 Ų88.742%0.41545%0.453SS..Hα-helixtrans-68.3-37.5177-74.5174.3-177.4-129.37.1113.7H528 F532 D565 A566 K567 F573H528-R569 PolarHBondContact CD2-NH1 3.09Å; H528-R569 PolarHBondContact CE1-NH2 3.07Å; H528-R569 PolarHBondContact NE2-NH1 2.73Å; H528-R569 PolarHBondContact NE2-NH2 2.75Å; F532-R569 VanDerWaalsContact CE2-CZ 3.5Å; D565-R569 WeakPolarHBondContact O-CG 3.28Å; D565-R569 PolarHBondContact O-N 3.46Å; D565-R569 VanDerWaalsContact O-N 3.14Å; A566-R569 PolarHBondContact O-N 3.43Å; K567-R569 PolarHBondContact O-N 3.04Å; R569-F573 PolarHBondContact O-N 2.97Å
570N69Low62.1Low80 Ų8093 Ų9343%0.42849%0.489SS..Hα-helixtrans-70.7-39.4177.8-77.5-8.9000112.3R536 A566 K567 N572 F573R536-N570 WeakPolarHBondContact CD-OD1 3.29Å; A566-N570 PolarHBondContact O-N 3.1Å; A566-N570 VanDerWaalsContact O-N 3.11Å; K567-N570 PolarHBondContact O-N 3.28Å; K567-N570 VanDerWaalsContact O-N 3.08Å; N570-N572 VanDerWaalsContact C-N 3.25Å; N570-N572 PolarHBondContact O-N 2.97Å; N570-F573 PolarHBondContact O-N 3.39Å; N570-F573 VanDerWaalsContact O-N 3.09Å
571E56.4Low59.1Low154 Ų15497.3 Ų97.372%0.7251%0.507SS*.Hα-helixtrans-64.3-32.9176.1-72.9174.8-177.300111.7K567 F573K567-E571 PolarHBondContact O-N 2.95Å; E571-F573 VanDerWaalsContact C-N 3.26Å; E571-F573 PolarHBondContact O-N 3.45Å
572N47.8Very low56Low131 Ų131101 Ų10170%0.70152%0.522SS*.THydrogen-bonded Turntrans-80.3-0.1174.5-67.8-24.9000114.1I568 N570I568-N572 VanDerWaalsContact O-CG 3.29Å; I568-N572 PolarHBondContact O-N 3.25Å; I568-N572 PolarHBondContact O-ND2 3.38Å; N570-N572 VanDerWaalsContact C-N 3.25Å; N570-N572 PolarHBondContact O-N 2.97Å
573F34.1Very low52.9Low155 Ų155105 Ų10568%0.6854%0.543SS*.  trans-102.569.7-178.3-116.6-94000110.5R569 N570 E571 G575R569-F573 PolarHBondContact O-N 2.97Å; N570-F573 PolarHBondContact O-N 3.39Å; N570-F573 VanDerWaalsContact O-N 3.09Å; E571-F573 VanDerWaalsContact C-N 3.26Å; E571-F573 PolarHBondContact O-N 3.45Å; F573-G575 VanDerWaalsContact C-N 3.26Å; F573-G575 PolarHBondContact O-N 3.29Å
574E27Very low49.8Very low202 Ų202111.3 Ų111.394%0.94458%0.576SS**  trans-73.181.1164.6-75.2-170.2162.600109.8
575G30.5Very low46.8Very low43 Ų43110.1 Ų110.144%0.44357%0.57SS.*SBendtrans-168.5144.8172.700000111.3F573F573-G575 VanDerWaalsContact C-N 3.26Å; F573-G575 PolarHBondContact O-N 3.29Å
576P31.2Very low43.8Very low100 Ų100112.9 Ų112.965%0.64959%0.589SS**  trans-58.9150178.827.9-33.7000109.4Q578P576-Q578 PolarHBondContact O-N 3.4Å
577P33.4Very low40.8Very low119 Ų119123.5 Ų123.577%0.77363%0.628SS**  trans-68.877-168.428.8-34.7000111.6I579P577-I579 VanDerWaalsContact C-N 3.33Å; P577-I579 PolarHBondContact O-N 2.88Å
578Q27.7Very low38Very low134 Ų134120.8 Ų120.863%0.62662%0.624SS**  trans-96.255.8171.5-70.2-171.2-3.300109.6P576 A580P576-Q578 PolarHBondContact O-N 3.4Å; Q578-A580 PolarHBondContact O-N 2.8Å
579I32.3Very low35.3Very low79 Ų79121.8 Ų121.841%0.40564%0.635SS.*THydrogen-bonded Turntrans-79.3-5.1-177.8-68.6157.4000112.6R536 P577R536-I579 VanDerWaalsContact NH1-CD1 3.27Å; P577-I579 VanDerWaalsContact C-N 3.33Å; P577-I579 PolarHBondContact O-N 2.88Å
580A32.4Very low32.9Very low91 Ų91120.3 Ų120.375%0.75265%0.647SS**THydrogen-bonded Turntrans-86.5-2.2173.300000114.5Q578Q578-A580 PolarHBondContact O-N 2.8Å
581Q29.5Very low30.9Very low147 Ų147121.3 Ų121.369%0.68766%0.655SS**SBendtrans-109.4136.8176.9-69.2-171.12.700111.6
582K26.9Very low29.6Very low190 Ų190116.6 Ų116.683%0.82665%0.649SS**  trans82.850.7-176-59.6-175.81741800116.8D584K582-D584 VanDerWaalsContact C-N 3.27Å; K582-D584 PolarHBondContact O-N 3.5Å
583L29.5Very low28.5Very low93 Ų93112.6 Ų112.649%0.48764%0.638SS.*  -77.293.7129.4-71.6168.1000106.7I585L583-I585 HydrophobicContact CB-CB 4.15Å; L583-I585 HydrophobicContact CB-CD1 4.35Å; L583-I585 HydrophobicContact CB-CG1 4.08Å; L583-I585 HydrophobicContact CD1-CD1 4.1Å; L583-I585 HydrophobicContact CD2-CD1 3.67Å; L583-I585 HydrophobicContact CD2-CG1 3.8Å; L583-I585 HydrophobicContact CG-CD1 4.25Å; L583-I585 HydrophobicContact CG-CG1 4.39Å; L583-I585 PolarHBondContact O-N 2.95Å
584D26.6Very low28.2Very low143 Ų143109.9 Ų109.977%0.76563%0.63SS**  trans-74.833.9147.7-88.9-26.3000109.5K582 V586K582-D584 VanDerWaalsContact C-N 3.27Å; K582-D584 PolarHBondContact O-N 3.5Å; D584-V586 PolarHBondContact O-N 2.89Å
585I27.8Very low28.5Very low74 Ų74107.7 Ų107.738%0.37962%0.619SS.*SBendtrans-57.994.1135.2-59.1178.3000101.8L583 R587L583-I585 HydrophobicContact CB-CB 4.15Å; L583-I585 HydrophobicContact CB-CD1 4.35Å; L583-I585 HydrophobicContact CB-CG1 4.08Å; L583-I585 HydrophobicContact CD1-CD1 4.1Å; L583-I585 HydrophobicContact CD2-CD1 3.67Å; L583-I585 HydrophobicContact CD2-CG1 3.8Å; L583-I585 HydrophobicContact CG-CD1 4.25Å; L583-I585 HydrophobicContact CG-CG1 4.39Å; L583-I585 PolarHBondContact O-N 2.95Å; I585-R587 PolarHBondContact O-N 2.91Å
586V26.3Very low29.1Very low112 Ų112110.8 Ų110.868%0.67963%0.63SS**  trans-29.7104.2157.5170.40000102.8D584 P588D584-V586 PolarHBondContact O-N 2.89Å; V586-P588 VanDerWaalsContact C-N 3.26Å; V586-P588 WeakPolarHBondContact O-CA 3.44Å; V586-P588 WeakPolarHBondContact O-CD 3.31Å
587R25.5Very low29.6Very low226 Ų226109.1 Ų109.185%0.85362%0.624SS**  trans-44.3108177.5-77.3177.3178175.3-1.5101.6I585 P589I585-R587 PolarHBondContact O-N 2.91Å; R587-P589 VanDerWaalsContact C-N 3.31Å; R587-P589 VanDerWaalsContact O-CA 3.28Å; R587-P589 WeakPolarHBondContact O-CA 3.48Å; R587-P589 VanDerWaalsContact O-CD 3.29Å; R587-P589 WeakPolarHBondContact O-CD 3.35Å
588P25.1Very low29.8Very low70 Ų70108.5 Ų108.546%0.45561%0.611SS.*  trans-58.2114.1-17418-27.3000101.5V586 A590V586-P588 VanDerWaalsContact C-N 3.26Å; V586-P588 WeakPolarHBondContact O-CA 3.44Å; V586-P588 WeakPolarHBondContact O-CD 3.31Å; P588-A590 WeakPolarHBondContact O-CA 3.22Å; P588-A590 PolarHBondContact O-N 2.9Å
589P25Very low30.4Very low104 Ų104108.6 Ų108.668%0.67561%0.609SS**  trans-52.7116.8-155.515.1-29.7000104.5R587 V591R587-P589 VanDerWaalsContact C-N 3.31Å; R587-P589 VanDerWaalsContact O-CA 3.28Å; R587-P589 WeakPolarHBondContact O-CA 3.48Å; R587-P589 VanDerWaalsContact O-CD 3.29Å; R587-P589 WeakPolarHBondContact O-CD 3.35Å; P589-V591 WeakPolarHBondContact O-CA 3.22Å; P589-V591 PolarHBondContact O-N 2.76Å
590A27.5Very low30.9Very low80 Ų80109.7 Ų109.766%0.66162%0.616SS**  trans-25.1105-162.200000108.9P588 G592P588-A590 WeakPolarHBondContact O-CA 3.22Å; P588-A590 PolarHBondContact O-N 2.9Å; A590-G592 VanDerWaalsContact C-N 3.27Å; A590-G592 CarbonylContact O-C 3.53Å; A590-G592 WeakPolarHBondContact O-CA 3.43Å; A590-G592 PolarHBondContact O-N 3.33Å
591V26.7Very low31.4Very low100 Ų100108.3 Ų108.361%0.60660%0.601SS**SBendtrans-53.5100.1-172.9-179.20000106.2P589P589-V591 WeakPolarHBondContact O-CA 3.22Å; P589-V591 PolarHBondContact O-N 2.76Å
592G28.6Very low32.1Very low56 Ų56106.2 Ų106.258%0.57759%0.594SS**SBendtrans145.434.5-146.300000112.6A590A590-G592 VanDerWaalsContact C-N 3.27Å; A590-G592 CarbonylContact O-C 3.53Å; A590-G592 WeakPolarHBondContact O-CA 3.43Å; A590-G592 PolarHBondContact O-N 3.33Å
593G25.9Very low33Very low46 Ų46105.3 Ų105.347%0.47459%0.589SS.*SBendtrans176.685.817600000111.4H595G593-H595 PolarHBondContact O-N 2.74Å
594L28Very low33.8Very low99 Ų99111.3 Ų111.352%0.51861%0.606SS.*  trans-1.6116151.3-78.9126.3000113.6V596 E598L594-V596 PolarHBondContact O-N 2.76Å; L594-E598 HydrophobicContact CD2-CB 3.87Å; L594-E598 WeakPolarHBondContact CD2-OE2 3.33Å
595H32.5Very low34.7Very low155 Ų155113.8 Ų113.872%0.71861%0.609SS**  trans-37.3130.2170.5-139.6-88.2000109G593 A597 E598 K599G593-H595 PolarHBondContact O-N 2.74Å; H595-A597 CarbonylContact O-C 3.17Å; H595-A597 PolarHBondContact O-N 3.33Å; H595-E598 PolarHBondContact O-N 3.39Å; H595-K599 PolarHBondContact O-N 3.11Å
596V43.2Very low35.1Very low108 Ų108123.3 Ų123.366%0.65564%0.641SS**Hα-helixtrans-49.8-26.9-177.2172.80000112.3L594 K599 L600L594-V596 PolarHBondContact O-N 2.76Å; V596-K599 PolarHBondContact O-N 3.29Å; V596-L600 HydrophobicContact CG1-CD1 4.15Å; V596-L600 PolarHBondContact O-N 3.33Å; V596-L600 VanDerWaalsContact O-N 3.09Å
597A40.7Very low35.5Very low65 Ų65123.9 Ų123.954%0.53764%0.639SS.*Hα-helixtrans-60.5-41.3171.600000114.2H595 S601H595-A597 CarbonylContact O-C 3.17Å; H595-A597 PolarHBondContact O-N 3.33Å; A597-S601 PolarHBondContact O-N 2.77Å
598E39.4Very low36Very low107 Ų107118.5 Ų118.550%0.563%0.627SS.*Hα-helixtrans-77.2-32.2176.7-82.2-174.613600112.9L594 H595 L600 S601 L602L594-E598 HydrophobicContact CD2-CB 3.87Å; L594-E598 WeakPolarHBondContact CD2-OE2 3.33Å; H595-E598 PolarHBondContact O-N 3.39Å; E598-L600 VanDerWaalsContact C-N 3.27Å; E598-L600 PolarHBondContact O-N 3.48Å; E598-S601 WeakPolarHBondContact CA-OG 3.46Å; E598-S601 PolarHBondContact O-N 3.27Å; E598-S601 PolarHBondContact O-OG 3.07Å; E598-L602 PolarHBondContact O-N 2.78Å
599K38.5Very low36.6Very low135 Ų135121.2 Ų121.259%0.58764%0.637SS**Hα-helixtrans-63.6-34.5171.4-99-178176.9176.70112.1H595 V596 K603H595-K599 PolarHBondContact O-N 3.11Å; V596-K599 PolarHBondContact O-N 3.29Å; K599-K603 PolarHBondContact O-N 3.29Å
600L42.7Very low37.3Very low103 Ų103122.2 Ų122.254%0.53964%0.635SS.*Hα-helixtrans-77.8-32.1174.9-76.4167.1000112.8V596 E598 K603 R604V596-L600 HydrophobicContact CG1-CD1 4.15Å; V596-L600 PolarHBondContact O-N 3.33Å; V596-L600 VanDerWaalsContact O-N 3.09Å; E598-L600 VanDerWaalsContact C-N 3.27Å; E598-L600 PolarHBondContact O-N 3.48Å; L600-K603 PolarHBondContact O-N 3.03Å; L600-R604 PolarHBondContact O-N 3.49Å
601S43.6Very low37.9Very low62 Ų62124.8 Ų124.843%0.43463%0.633SS.*Hα-helixtrans-68.6-38175.176.50000112.3A597 E598 R604 K605A597-S601 PolarHBondContact O-N 2.77Å; E598-S601 WeakPolarHBondContact CA-OG 3.46Å; E598-S601 PolarHBondContact O-N 3.27Å; E598-S601 PolarHBondContact O-OG 3.07Å; S601-R604 PolarHBondContact O-N 3.07Å; S601-K605 PolarHBondContact O-N 3.48Å
602L45.1Very low38.7Very low103 Ų103126.5 Ų126.554%0.53964%0.635SS.*Hα-helixtrans-70-32.4175.7-83163.1000113.2E598 R604 K605 R606E598-L602 PolarHBondContact O-N 2.78Å; L602-R604 VanDerWaalsContact C-N 3.3Å; L602-K605 PolarHBondContact O-N 3.23Å; L602-R606 PolarHBondContact O-N 2.95Å
603K44.7Very low39.4Very low170 Ų170131.5 Ų131.574%0.73964%0.639SS**Hα-helixtrans-75.5-13.9172.4-94.7-168174.3-1720114.3K599 L600 R606K599-K603 PolarHBondContact O-N 3.29Å; L600-K603 PolarHBondContact O-N 3.03Å; K603-R606 VanDerWaalsContact O-OXT 3.13Å
604R47.1Very low40.4Very low220 Ų220138.1 Ų138.183%0.8365%0.652SS**Hα-helixtrans-92.9-11.6171.6-76-176.4177.5175.8-0.3113.4L600 S601 L602L600-R604 PolarHBondContact O-N 3.49Å; S601-R604 PolarHBondContact O-N 3.07Å; L602-R604 VanDerWaalsContact C-N 3.3Å
605K45.4Very low41.5Very low194 Ų194141.3 Ų141.384%0.84366%0.663SS**Hα-helixtrans-102.1-6.1175.5-80.2-169.2175.6-176.10114.1S601 L602S601-K605 PolarHBondContact O-N 3.48Å; L602-K605 PolarHBondContact O-N 3.23Å
606R35.1Very low42.3Very low274 Ų274140.1 Ų140.1100%1.03466%0.658SS**  trans-102.60159.7-68.8-176.9179.7-177-0.8107.2L602 K603L602-R606 PolarHBondContact O-N 2.95Å; K603-R606 VanDerWaalsContact O-OXT 3.13Å

Retrieved 606 of 606 residues in 550 ms (Link to these results)

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