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Cytochrome b

Component of the ubiquinol-cytochrome c reductase complex (complex III or cytochrome b-c1 complex) that is part of the mitochondrial respiratory chain. The b-c1 complex mediates electron transfer from ubiquinol to cytochrome c. Contributes to the generation of a proton gradient across the mitochondrial membrane that is then used for ATP synthesis.

AlphaFold DB , UniProt , Accession A0A075X7F6, Species HUMAN (Homo sapiens, Human), Gene CYTB, Length 118 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
1I91Very high96.6Very high152 Ų152108.4 Ų108.478%0.77953%0.528SS*.  0146.6049.2166.9000109.1Y6 Y7I1-Y6 HydrophobicContact CB-CD2 4.06Å; I1-Y6 HydrophobicContact CB-CE2 4.37Å; I1-Y6 HydrophobicContact CD1-CD2 4.44Å; I1-Y6 HydrophobicContact CD1-CG 4.13Å; I1-Y6 HydrophobicContact CG2-CE2 4.49Å; I1-Y7 HydrophobicContact CD1-CD2 4.26Å; I1-Y7 HydrophobicContact CD1-CE2 3.58Å; I1-Y7 HydrophobicContact CG1-CE2 3.93Å
2T95.9Very high96.8Very high95 Ų95104 Ų10458%0.58352%0.522SS*.  trans-65.1151.6172.548.70000110H4T2-H4 VanDerWaalsContact CB-O 3.32Å; T2-H4 WeakPolarHBondContact CB-O 3.3Å; T2-H4 PolarHBondContact OG1-O 2.87Å
3F97.1Very high96.9Very high128 Ų128104.2 Ų104.256%0.56153%0.525SS*.SBendtrans-61.1-51.1179.3-175.9-94.3000111.2Y6 Y7F3-Y6 PolarHBondContact O-N 2.79Å; F3-Y7 HydrophobicContact CD2-CD2 4.04Å; F3-Y7 HydrophobicContact CD2-CG 4.05Å; F3-Y7 VanDerWaalsContact CE2-CB 3.42Å; F3-Y7 HydrophobicContact CE2-CG 4.11Å; F3-Y7 PolarHBondContact O-N 3.24Å
4H95.7Very high97Very high129 Ų12999.5 Ų99.560%0.59752%0.516SS*.THydrogen-bonded Turntrans-90.6137.6171.3-170.471.3000110.2T2 T8T2-H4 VanDerWaalsContact CB-O 3.32Å; T2-H4 WeakPolarHBondContact CB-O 3.3Å; T2-H4 PolarHBondContact OG1-O 2.87Å; H4-T8 PolarHBondContact ND1-OG1 3.25Å
5P95.2Very high97.1Very high55 Ų55100 Ų10036%0.35752%0.519SS..THydrogen-bonded Turncis-88.5-9.70.934.9-35.5000115.1T8 I9P5-T8 PolarHBondContact O-N 3.04Å; P5-I9 HydrophobicContact CB-CD1 4.18Å; P5-I9 WeakPolarHBondContact O-CG1 3.49Å; P5-I9 PolarHBondContact O-N 3.38Å
6Y97.6Very high97.2Very high139 Ų139100.4 Ų100.455%0.54552%0.521SS..Hα-helixtrans-61.7-54.9-164.8-62.2-79.1000114.4I1 F3 K10I1-Y6 HydrophobicContact CB-CD2 4.06Å; I1-Y6 HydrophobicContact CB-CE2 4.37Å; I1-Y6 HydrophobicContact CD1-CD2 4.44Å; I1-Y6 HydrophobicContact CD1-CG 4.13Å; I1-Y6 HydrophobicContact CG2-CE2 4.49Å; F3-Y6 PolarHBondContact O-N 2.79Å; Y6-K10 PolarHBondContact O-N 2.88Å
7Y97.9Very high97.3Very high99 Ų99100.2 Ų100.239%0.38852%0.521SS..Hα-helixtrans-76.5-30.7179.5-70.9-78.9000111.6I1 F3 I9 K10 D11I1-Y7 HydrophobicContact CD1-CD2 4.26Å; I1-Y7 HydrophobicContact CD1-CE2 3.58Å; I1-Y7 HydrophobicContact CG1-CE2 3.93Å; F3-Y7 HydrophobicContact CD2-CD2 4.04Å; F3-Y7 HydrophobicContact CD2-CG 4.05Å; F3-Y7 VanDerWaalsContact CE2-CB 3.42Å; F3-Y7 HydrophobicContact CE2-CG 4.11Å; F3-Y7 PolarHBondContact O-N 3.24Å; Y7-I9 PolarHBondContact O-N 2.98Å; Y7-K10 HydrophobicContact CD1-CD 4.35Å; Y7-K10 PolarHBondContact O-N 2.96Å; Y7-D11 VanDerWaalsContact O-CB 3.31Å; Y7-D11 WeakPolarHBondContact O-CB 3.43Å; Y7-D11 PolarHBondContact O-N 2.95Å
8T98Very high97.4Very high55 Ų55102.1 Ų102.134%0.33752%0.524SS..Hα-helixtrans-57.9-46.4175.1-45.90000112.1H4 P5 A12H4-T8 PolarHBondContact ND1-OG1 3.25Å; P5-T8 PolarHBondContact O-N 3.04Å; T8-A12 WeakPolarHBondContact O-CB 3.42Å; T8-A12 PolarHBondContact O-N 3.31Å
9I98.3Very high97.4Very high117 Ų117100.9 Ų100.960%0.652%0.518SS*.Hα-helixtrans-68.4-40.7178.4-66.5169.1000110.8P5 Y7 A12 L13P5-I9 HydrophobicContact CB-CD1 4.18Å; P5-I9 WeakPolarHBondContact O-CG1 3.49Å; P5-I9 PolarHBondContact O-N 3.38Å; Y7-I9 PolarHBondContact O-N 2.98Å; I9-A12 PolarHBondContact O-N 3.26Å; I9-L13 PolarHBondContact O-N 3.36Å
10K98.1Very high97.5Very high138 Ų138101.1 Ų101.160%0.652%0.52SS*.Hα-helixtrans-61.5-44.8176.9-176.7-175.8173.4-173.20111.9Y6 Y7 L13 G14Y6-K10 PolarHBondContact O-N 2.88Å; Y7-K10 HydrophobicContact CD1-CD 4.35Å; Y7-K10 PolarHBondContact O-N 2.96Å; K10-L13 PolarHBondContact O-N 2.92Å; K10-G14 PolarHBondContact O-N 3.23Å
11D98.2Very high97.5Very high85 Ų8599.3 Ų99.346%0.45552%0.516SS..Hα-helixtrans-68.9-39.3-179.5-67-8.9000110.7Y7 L13 G14 L15Y7-D11 VanDerWaalsContact O-CB 3.31Å; Y7-D11 WeakPolarHBondContact O-CB 3.43Å; Y7-D11 PolarHBondContact O-N 2.95Å; D11-L13 VanDerWaalsContact C-N 3.33Å; D11-L13 PolarHBondContact O-N 3.37Å; D11-G14 PolarHBondContact O-N 3.44Å; D11-L15 WeakPolarHBondContact O-CB 3.42Å; D11-L15 PolarHBondContact O-N 3.05Å
12A98.4Very high97.9Very high56 Ų5695.8 Ų95.846%0.46350%0.498SS..Hα-helixtrans-60.3-41.8173.900000112.1T8 I9 L15 L16T8-A12 WeakPolarHBondContact O-CB 3.42Å; T8-A12 PolarHBondContact O-N 3.31Å; I9-A12 PolarHBondContact O-N 3.26Å; A12-L15 PolarHBondContact O-N 3.39Å; A12-L16 WeakPolarHBondContact O-CB 3.35Å; A12-L16 PolarHBondContact O-N 2.93Å
13L98.6Very high98Very high106 Ų10695.4 Ų95.456%0.55549%0.491SS*.Hα-helixtrans-63-45.1173.3178.765.1000111.5I9 K10 D11 L15 L16 L17I9-L13 PolarHBondContact O-N 3.36Å; K10-L13 PolarHBondContact O-N 2.92Å; D11-L13 VanDerWaalsContact C-N 3.33Å; D11-L13 PolarHBondContact O-N 3.37Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-L15 PolarHBondContact O-N 3Å; L13-L16 PolarHBondContact O-N 3.2Å; L13-L17 HydrophobicContact CG-CD1 4.49Å; L13-L17 WeakPolarHBondContact O-CG 3.33Å; L13-L17 PolarHBondContact O-N 3.22Å
14G98.4Very high98.1Very high39 Ų3992.4 Ų92.440%0.40248%0.484SS..Hα-helixtrans-59.9-42.9177.300000112.7K10 D11 L17 F18K10-G14 PolarHBondContact O-N 3.23Å; D11-G14 PolarHBondContact O-N 3.44Å; G14-L17 PolarHBondContact O-N 3.43Å; G14-F18 PolarHBondContact O-N 3.07Å
15L98.6Very high98.2Very high107 Ų10788.6 Ų88.656%0.5647%0.467SS*.Hα-helixtrans-65.6-40.3176.6-178.2134.2000112D11 A12 L13 L17 F18 I19D11-L15 WeakPolarHBondContact O-CB 3.42Å; D11-L15 PolarHBondContact O-N 3.05Å; A12-L15 PolarHBondContact O-N 3.39Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-L15 PolarHBondContact O-N 3Å; L15-L17 VanDerWaalsContact C-N 3.35Å; L15-L17 PolarHBondContact O-N 3.18Å; L15-F18 PolarHBondContact O-N 3.48Å; L15-I19 HydrophobicContact CD2-CD1 3.51Å; L15-I19 HydrophobicContact CD2-CG1 4.45Å; L15-I19 HydrophobicContact CG-CD1 4.09Å; L15-I19 WeakPolarHBondContact O-CG1 3.4Å; L15-I19 PolarHBondContact O-N 2.82Å
16L98.7Very high98.3Very high107 Ų10789.1 Ų89.156%0.5647%0.47SS*.Hα-helixtrans-61-43.8175.4-176.3147.1000111.5A12 L13 I19 L20A12-L16 WeakPolarHBondContact O-CB 3.35Å; A12-L16 PolarHBondContact O-N 2.93Å; L13-L16 PolarHBondContact O-N 3.2Å; L16-I19 PolarHBondContact O-N 2.95Å; L16-L20 WeakPolarHBondContact O-CB 3.34Å; L16-L20 PolarHBondContact O-N 2.88Å
17L98.6Very high98.4Very high97 Ų9788.1 Ų88.151%0.50847%0.473SS..Hα-helixtrans-64.9-39.6176.6-68.3174.1000112.3L13 G14 L15 L20 S21L13-L17 HydrophobicContact CG-CD1 4.49Å; L13-L17 WeakPolarHBondContact O-CG 3.33Å; L13-L17 PolarHBondContact O-N 3.22Å; G14-L17 PolarHBondContact O-N 3.43Å; L15-L17 VanDerWaalsContact C-N 3.35Å; L15-L17 PolarHBondContact O-N 3.18Å; L17-L20 PolarHBondContact O-N 3.36Å; L17-S21 PolarHBondContact O-N 3.01Å; L17-S21 PolarHBondContact O-OG 3.49Å
18F98.4Very high98.4Very high133 Ų13391.6 Ų91.658%0.58349%0.49SS*.Hα-helixtrans-64.1-44.7175173.7-99.1000112.4G14 L15 L20 S21 L22G14-F18 PolarHBondContact O-N 3.07Å; L15-F18 PolarHBondContact O-N 3.48Å; F18-L20 VanDerWaalsContact C-N 3.31Å; F18-L20 PolarHBondContact O-N 3.45Å; F18-S21 PolarHBondContact O-N 3.49Å; F18-S21 PolarHBondContact O-OG 3.37Å; F18-L22 HydrophobicContact CE1-CD2 4.29Å; F18-L22 WeakPolarHBondContact O-CB 3.39Å; F18-L22 PolarHBondContact O-N 3.05Å
19I98.6Very high98.4Very high81 Ų8191 Ų9142%0.41549%0.488SS..Hα-helixtrans-64-41.1176.7-69.7172.2000110.1L15 L16 S21 L22 M23L15-I19 HydrophobicContact CD2-CD1 3.51Å; L15-I19 HydrophobicContact CD2-CG1 4.45Å; L15-I19 HydrophobicContact CG-CD1 4.09Å; L15-I19 WeakPolarHBondContact O-CG1 3.4Å; L15-I19 PolarHBondContact O-N 2.82Å; L16-I19 PolarHBondContact O-N 2.95Å; I19-S21 PolarHBondContact O-N 3.48Å; I19-L22 PolarHBondContact O-N 3.43Å; I19-M23 HydrophobicContact CG2-CG 3.94Å; I19-M23 VanDerWaalsContact O-CB 3.29Å; I19-M23 WeakPolarHBondContact O-CB 3.35Å; I19-M23 WeakPolarHBondContact O-CG 3.42Å; I19-M23 PolarHBondContact O-N 3.47Å
20L98.5Very high98.3Very high104 Ų10489.2 Ų89.255%0.54549%0.485SS..Hα-helixtrans-58.5-50.4177.2-175.171.2000111.1L16 L17 F18 L22 M23 T24L16-L20 WeakPolarHBondContact O-CB 3.34Å; L16-L20 PolarHBondContact O-N 2.88Å; L17-L20 PolarHBondContact O-N 3.36Å; F18-L20 VanDerWaalsContact C-N 3.31Å; F18-L20 PolarHBondContact O-N 3.45Å; L20-L22 PolarHBondContact O-N 2.94Å; L20-M23 PolarHBondContact O-N 2.98Å; L20-T24 WeakPolarHBondContact O-CG2 3.31Å; L20-T24 PolarHBondContact O-N 3.18Å; L20-T24 PolarHBondContact O-OG1 3.44Å
21S98.2Very high98.2Very high64 Ų6487.3 Ų87.345%0.44848%0.481SS..Hα-helixtrans-63.7-42.6179.664.80000112.1L17 F18 I19 T24 L25L17-S21 PolarHBondContact O-N 3.01Å; L17-S21 PolarHBondContact O-OG 3.49Å; F18-S21 PolarHBondContact O-N 3.49Å; F18-S21 PolarHBondContact O-OG 3.37Å; I19-S21 PolarHBondContact O-N 3.48Å; S21-T24 WeakPolarHBondContact CA-OG1 3.32Å; S21-T24 PolarHBondContact O-N 3Å; S21-T24 PolarHBondContact O-OG1 3.37Å; S21-L25 PolarHBondContact O-N 3.05Å
22L98.5Very high98.2Very high77 Ų7789.1 Ų89.140%0.40349%0.49SS..Hα-helixtrans-60.3-48.4176.2-178.165.9000111.6F18 I19 L20 T24 L25 T26F18-L22 HydrophobicContact CE1-CD2 4.29Å; F18-L22 WeakPolarHBondContact O-CB 3.39Å; F18-L22 PolarHBondContact O-N 3.05Å; I19-L22 PolarHBondContact O-N 3.43Å; L20-L22 PolarHBondContact O-N 2.94Å; L22-T24 VanDerWaalsContact C-N 3.31Å; L22-T24 PolarHBondContact O-N 3.46Å; L22-L25 PolarHBondContact O-N 2.86Å; L22-T26 HydrophobicContact CD1-CG2 4.24Å; L22-T26 HydrophobicContact CG-CG2 4.47Å; L22-T26 WeakPolarHBondContact O-CG2 3.42Å; L22-T26 PolarHBondContact O-N 3.44Å; L22-T26 PolarHBondContact O-OG1 3Å
23M98.4Very high98.1Very high88 Ų8890.8 Ų90.843%0.43349%0.49SS..Hα-helixtrans-64.8-36.2179.5-70.4-59.8-73.500111.8I19 L20 T26 L27I19-M23 HydrophobicContact CG2-CG 3.94Å; I19-M23 VanDerWaalsContact O-CB 3.29Å; I19-M23 WeakPolarHBondContact O-CB 3.35Å; I19-M23 WeakPolarHBondContact O-CG 3.42Å; I19-M23 PolarHBondContact O-N 3.47Å; L20-M23 PolarHBondContact O-N 2.98Å; M23-T26 WeakPolarHBondContact CA-OG1 3.46Å; M23-T26 PolarHBondContact O-OG1 3.47Å; M23-L27 HydrophobicContact CE-CD1 3.7Å; M23-L27 HydrophobicContact CE-CD2 4.46Å; M23-L27 HydrophobicContact CE-CG 4.12Å; M23-L27 VanDerWaalsContact O-CB 3.22Å; M23-L27 WeakPolarHBondContact O-CB 3.41Å; M23-L27 VanDerWaalsContact O-CG 3.31Å; M23-L27 WeakPolarHBondContact O-CG 3.45Å; M23-L27 PolarHBondContact O-N 3Å
24T98.3Very high97.9Very high65 Ų6588 Ų8840%0.39949%0.488SS..Hα-helixtrans-63.9-42.2174.4540000112L20 S21 L22 F28L20-T24 WeakPolarHBondContact O-CG2 3.31Å; L20-T24 PolarHBondContact O-N 3.18Å; L20-T24 PolarHBondContact O-OG1 3.44Å; S21-T24 WeakPolarHBondContact CA-OG1 3.32Å; S21-T24 PolarHBondContact O-N 3Å; S21-T24 PolarHBondContact O-OG1 3.37Å; L22-T24 VanDerWaalsContact C-N 3.31Å; L22-T24 PolarHBondContact O-N 3.46Å; T24-F28 WeakPolarHBondContact O-CB 3.48Å; T24-F28 WeakPolarHBondContact O-CD2 3.37Å; T24-F28 PolarHBondContact O-N 2.79Å; T24-F28 VanDerWaalsContact O-N 3.12Å
25L98.4Very high97.7Very high49 Ų4987.4 Ų87.426%0.25748%0.475SS..Hα-helixtrans-63.6-50.4176.7-178.273.3000110.9S21 L22 S29 P30 L32 L33S21-L25 PolarHBondContact O-N 3.05Å; L22-L25 PolarHBondContact O-N 2.86Å; L25-S29 CarbonylContact O-C 3.59Å; L25-S29 WeakPolarHBondContact O-CA 3.41Å; L25-S29 PolarHBondContact O-N 3.22Å; L25-S29 VanDerWaalsContact O-O 3.05Å; L25-S29 PolarHBondContact O-OG 3.06Å; L25-P30 VanDerWaalsContact O-N 3.14Å; L25-L32 HydrophobicContact CD1-CB 4.09Å; L25-L32 HydrophobicContact CD1-CD2 3.98Å; L25-L33 HydrophobicContact CD1-CD1 4.35Å; L25-L33 HydrophobicContact CD1-CG 4.27Å; L25-L33 HydrophobicContact CD2-CD1 3.74Å; L25-L33 HydrophobicContact CD2-CG 4.42Å
26T98.1Very high97.5Very high66 Ų6686.8 Ų86.841%0.40548%0.478SS..Hα-helixtrans-72.1-36-173.457.20000113.5L22 M23L22-T26 HydrophobicContact CD1-CG2 4.24Å; L22-T26 HydrophobicContact CG-CG2 4.47Å; L22-T26 WeakPolarHBondContact O-CG2 3.42Å; L22-T26 PolarHBondContact O-N 3.44Å; L22-T26 PolarHBondContact O-OG1 3Å; M23-T26 WeakPolarHBondContact CA-OG1 3.46Å; M23-T26 PolarHBondContact O-OG1 3.47Å
27L98.3Very high97.3Very high118 Ų11884.5 Ų84.562%0.61847%0.466SS*.Hα-helixtrans-84.7-35.3-177.4-64.8179.2000113.3M23M23-L27 HydrophobicContact CE-CD1 3.7Å; M23-L27 HydrophobicContact CE-CD2 4.46Å; M23-L27 HydrophobicContact CE-CG 4.12Å; M23-L27 VanDerWaalsContact O-CB 3.22Å; M23-L27 WeakPolarHBondContact O-CB 3.41Å; M23-L27 VanDerWaalsContact O-CG 3.31Å; M23-L27 WeakPolarHBondContact O-CG 3.45Å; M23-L27 PolarHBondContact O-N 3Å
28F98.3Very high97.1Very high171 Ų17185.9 Ų85.975%0.7547%0.474SS*.Hα-helixtrans-103.2-27.1-175.3-62.1-71000113.9T24T24-F28 WeakPolarHBondContact O-CB 3.48Å; T24-F28 WeakPolarHBondContact O-CD2 3.37Å; T24-F28 PolarHBondContact O-N 2.79Å; T24-F28 VanDerWaalsContact O-N 3.12Å
29S97.8Very high96.9Very high42 Ų4287.1 Ų87.129%0.29448%0.476SS..  trans-150.360-174.766.20000112.6L25 D31 L32L25-S29 CarbonylContact O-C 3.59Å; L25-S29 WeakPolarHBondContact O-CA 3.41Å; L25-S29 PolarHBondContact O-N 3.22Å; L25-S29 VanDerWaalsContact O-O 3.05Å; L25-S29 PolarHBondContact O-OG 3.06Å; S29-D31 PolarHBondContact O-N 3.03Å; S29-L32 VanDerWaalsContact O-CB 3.29Å; S29-L32 WeakPolarHBondContact O-CB 3.49Å; S29-L32 PolarHBondContact O-N 3.39Å
30P96.6Very high96.7Very high81 Ų8187.9 Ų87.953%0.52648%0.484SS..THydrogen-bonded Turntrans-59.9-33.5-170.522.5-33.6000113.4L25L25-P30 VanDerWaalsContact O-N 3.14Å
31D96.6Very high96.5Very high98 Ų9891 Ų9152%0.52450%0.501SS..THydrogen-bonded Turntrans-95.14.1-174.1-52-32.4000112.9S29 L33 G34 Y39S29-D31 PolarHBondContact O-N 3.03Å; D31-L33 PolarHBondContact O-N 3.4Å; D31-L33 VanDerWaalsContact O-N 3.16Å; D31-G34 PolarHBondContact O-N 2.72Å; D31-Y39 PolarHBondContact OD1-OH 3.29Å
32L97.2Very high96.3Very high123 Ų12392.9 Ų92.964%0.64452%0.52SS*.THydrogen-bonded Turntrans-57.7-33.9-175-178.665000113.3L25 S29L25-L32 HydrophobicContact CD1-CB 4.09Å; L25-L32 HydrophobicContact CD1-CD2 3.98Å; S29-L32 VanDerWaalsContact O-CB 3.29Å; S29-L32 WeakPolarHBondContact O-CB 3.49Å; S29-L32 PolarHBondContact O-N 3.39Å
33L96.9Very high96.2Very high90 Ų9093.4 Ų93.447%0.47152%0.523SS..THydrogen-bonded Turntrans-101.81.7-179.3-60.4-178.1000113.1L25 D31 W55L25-L33 HydrophobicContact CD1-CD1 4.35Å; L25-L33 HydrophobicContact CD1-CG 4.27Å; L25-L33 HydrophobicContact CD2-CD1 3.74Å; L25-L33 HydrophobicContact CD2-CG 4.42Å; D31-L33 PolarHBondContact O-N 3.4Å; D31-L33 VanDerWaalsContact O-N 3.16Å; L33-W55 HydrophobicContact CD1-CZ2 4.18Å
34G94.9Very high96Very high48 Ų4895.4 Ų95.450%0.49554%0.543SS..SBendtrans-89.3168.9-177.600000113.4D31D31-G34 PolarHBondContact O-N 2.72Å
35D94.9Very high95.9Very high27 Ų27100.1 Ų100.114%0.14457%0.565CS.*  trans-106.6124.2171.7-161.7-53000110D37 N38 K52D35-D37 PolarHBondContact O-N 3.29Å; D35-D37 WeakPolarHBondContact OD1-CB 3.49Å; D35-D37 PolarHBondContact OD1-N 2.86Å; D35-N38 WeakPolarHBondContact O-CB 3.47Å; D35-N38 PolarHBondContact O-N 2.84Å; D35-K52 WeakPolarHBondContact OD2-CE 3.31Å; D35-K52 WeakPolarHBondContact OD2-CG 3.38Å
36P94.1Very high95.7Very high94 Ų94102.8 Ų102.861%0.6158%0.579SS**G310 helixtrans-60.7-26.4179.425.3-35.5000113.6N38 Y39P36-N38 PolarHBondContact O-N 3.04Å; P36-Y39 PolarHBondContact O-N 3.11Å
37D92.8Very high95.3Very high59 Ų59104.8 Ų104.832%0.31659%0.592SS.*G310 helixtrans-63.2-26.2179.5-74.7-12.1000111.6D35 Y39 T40 P48D35-D37 PolarHBondContact O-N 3.29Å; D35-D37 WeakPolarHBondContact OD1-CB 3.49Å; D35-D37 PolarHBondContact OD1-N 2.86Å; D37-Y39 PolarHBondContact O-N 3.34Å; D37-T40 PolarHBondContact O-N 3.49Å; D37-T40 VanDerWaalsContact O-N 3.11Å; D37-T40 PolarHBondContact O-OG1 2.94Å; D37-P48 WeakPolarHBondContact OD2-CB 3.48Å
38N95.1Very high95.1Very high125 Ų125101.2 Ų101.267%0.66858%0.575SS**G310 helixtrans-72.6-9.6179-74.8-19000114.4D35 P36 T40D35-N38 WeakPolarHBondContact O-CB 3.47Å; D35-N38 PolarHBondContact O-N 2.84Å; P36-N38 PolarHBondContact O-N 3.04Å; N38-T40 VanDerWaalsContact C-N 3.29Å
39Y94.9Very high94.7Very high159 Ų15998.9 Ų98.962%0.62458%0.577SS**G310 helixtrans-81.9-10.3170.3-66.4-85.4000112.7D31 P36 D37D31-Y39 PolarHBondContact OD1-OH 3.29Å; P36-Y39 PolarHBondContact O-N 3.11Å; D37-Y39 PolarHBondContact O-N 3.34Å
40T94.1Very high94.4Very high97 Ų97104.4 Ų104.460%0.59560%0.598SS**SBendtrans-86.6145172.869.30000110.6D37 N38D37-T40 PolarHBondContact O-N 3.49Å; D37-T40 VanDerWaalsContact O-N 3.11Å; D37-T40 PolarHBondContact O-OG1 2.94Å; N38-T40 VanDerWaalsContact C-N 3.29Å
41L94.4Very high94.2Very high170 Ų170105.1 Ų105.189%0.8960%0.596SS**PPolyproline II helixtrans-66.6141177.3-68.2173.4000110.4N43L41-N43 PolarHBondContact O-N 3.01Å
42A94.3Very high94.1Very high103 Ų103106.2 Ų106.285%0.85160%0.597SS**PPolyproline II helixtrans-59.2128.5-17900000111.9
43N95.8Very high94Very high88 Ų88102 Ų10247%0.47158%0.576SS.*  trans-119.8106.3173.6-176.4-8.5000109.9L41 L45 N46L41-N43 PolarHBondContact O-N 3.01Å; N43-L45 PolarHBondContact O-N 2.94Å; N43-L45 VanDerWaalsContact O-N 3.13Å; N43-L45 PolarHBondContact OD1-N 3.26Å; N43-N46 HydrophobicContact CB-CB 4.42Å; N43-N46 PolarHBondContact O-N 3.1Å
44P94.6Very high94Very high130 Ų130101.8 Ų101.884%0.84457%0.573SS**THydrogen-bonded Turntrans-67.3-14.9-176.828-35000113.8
45L95.7Very high94.1Very high164 Ų164106.4 Ų106.486%0.85958%0.576SS**THydrogen-bonded Turntrans-93.4-8.5-179.8-59178.4000113.1N43N43-L45 PolarHBondContact O-N 2.94Å; N43-L45 VanDerWaalsContact O-N 3.13Å; N43-L45 PolarHBondContact OD1-N 3.26Å
46N93.8Very high94.2Very high106 Ų106110.6 Ų110.657%0.56759%0.59SS**  trans-138.4119.3-176.2-172.227.4000111.8N43N43-N46 HydrophobicContact CB-CB 4.42Å; N43-N46 PolarHBondContact O-N 3.1Å
47T91.3Very high94.3Very high108 Ų108111.1 Ų111.166%0.66358%0.583SS**  trans-94.2129.3172.451.80000110.1
48P92.9Very high94.5Very high42 Ų42111.3 Ų111.327%0.27358%0.584SS.*  trans-56.3141.5174-25.834.4000112.2D37 H50 I51D37-P48 WeakPolarHBondContact OD2-CB 3.48Å; P48-H50 VanDerWaalsContact C-N 3.26Å; P48-H50 PolarHBondContact O-N 3.19Å; P48-I51 PolarHBondContact O-N 3.41Å
49P89.8Confident94.6Very high122 Ų122108.2 Ų108.279%0.79257%0.565SS**THydrogen-bonded Turntrans-66.4-26.3-177.126-34.3000113.5
50H92.1Very high94.7Very high158 Ų158101 Ų10173%0.73154%0.538SS*.THydrogen-bonded Turntrans-105.325.1-178.3-62.5-62.2000113.4P48 K52P48-H50 VanDerWaalsContact C-N 3.26Å; P48-H50 PolarHBondContact O-N 3.19Å; H50-K52 PolarHBondContact O-N 2.95Å
51I93Very high94.8Very high96 Ų9698.9 Ų98.949%0.49252%0.519SS..  trans-56123.8-178.2-167.3170.5000112.1P48 Y61P48-I51 PolarHBondContact O-N 3.41Å; I51-Y61 PolarHBondContact O-OH 3.12Å
52K93.3Very high94.9Very high122 Ų12293.1 Ų93.153%0.5349%0.491SS..  trans-138.7154.4176.763.1-178.9179.2179.60109.1D35 H50D35-K52 WeakPolarHBondContact OD2-CE 3.31Å; D35-K52 WeakPolarHBondContact OD2-CG 3.38Å; H50-K52 PolarHBondContact O-N 2.95Å
53P96.3Very high95Very high33 Ų3389.8 Ų89.821%0.21446%0.459CS..  trans-77174.117235.7-36.9000110.8F57 L58 Y61P53-F57 HydrophobicContact CB-CB 4.01Å; P53-F57 HydrophobicContact CG-CB 4.35Å; P53-L58 HydrophobicContact CG-CD2 3.95Å; P53-Y61 HydrophobicContact CG-CD1 4.08Å; P53-Y61 HydrophobicContact CG-CD2 4.13Å; P53-Y61 HydrophobicContact CG-CG 3.79Å
54E96.6Very high95Very high87 Ų8788.3 Ų88.341%0.40745%0.451SS..  trans-60.5153.4170.8-56.988.6161.300111.4Y56 F57E54-Y56 VanDerWaalsContact C-N 3.27Å; E54-Y56 HydrophobicContact CB-CD1 4.32Å; E54-Y56 HydrophobicContact CB-CE1 3.75Å; E54-Y56 HydrophobicContact CB-CE2 4.01Å; E54-Y56 HydrophobicContact CG-CE1 4.44Å; E54-Y56 PolarHBondContact O-N 3.47Å; E54-Y56 VanDerWaalsContact O-N 3.14Å; E54-F57 HydrophobicContact CB-CD2 4.42Å; E54-F57 PolarHBondContact O-N 2.97Å; E54-F57 WeakPolarHBondContact OE2-CD2 3.18Å
55W96.6Very high95.1Very high144 Ų14490.1 Ų90.155%0.54544%0.44SS..G310 helixtrans-56.1-36.8-169.758.9-90.9000114.1L33 F57 L58L33-W55 HydrophobicContact CD1-CZ2 4.18Å; W55-F57 PolarHBondContact O-N 3.05Å; W55-L58 HydrophobicContact CB-CD1 4.32Å; W55-L58 WeakPolarHBondContact O-CB 3.22Å; W55-L58 WeakPolarHBondContact O-CG 3.5Å; W55-L58 PolarHBondContact O-N 3.36Å
56Y96.3Very high95.1Very high115 Ų11586.3 Ų86.345%0.45143%0.428SS..G310 helixtrans-73.6-10.1179.347.1-98.3000114E54E54-Y56 VanDerWaalsContact C-N 3.27Å; E54-Y56 HydrophobicContact CB-CD1 4.32Å; E54-Y56 HydrophobicContact CB-CE1 3.75Å; E54-Y56 HydrophobicContact CB-CE2 4.01Å; E54-Y56 HydrophobicContact CG-CE1 4.44Å; E54-Y56 PolarHBondContact O-N 3.47Å; E54-Y56 VanDerWaalsContact O-N 3.14Å
57F96.9Very high95.3Very high106 Ų10683.6 Ų83.647%0.46542%0.415SS..G310 helixtrans-101.1-4.7174-70.9-50.6000113.8P53 E54 W55 F59 A60 Y61P53-F57 HydrophobicContact CB-CB 4.01Å; P53-F57 HydrophobicContact CG-CB 4.35Å; E54-F57 HydrophobicContact CB-CD2 4.42Å; E54-F57 PolarHBondContact O-N 2.97Å; E54-F57 WeakPolarHBondContact OE2-CD2 3.18Å; W55-F57 PolarHBondContact O-N 3.05Å; F57-F59 PolarHBondContact O-N 3.38Å; F57-A60 PolarHBondContact O-N 3.22Å; F57-Y61 WeakPolarHBondContact O-CB 3.46Å; F57-Y61 PolarHBondContact O-N 2.71Å
58L96.9Very high95.5Very high62 Ų6285 Ų8533%0.32543%0.426SS..Hα-helixtrans-58.1-45.6-174.8-71.7172.1000112.6P53 W55 A60 Y61 T62P53-L58 HydrophobicContact CG-CD2 3.95Å; W55-L58 HydrophobicContact CB-CD1 4.32Å; W55-L58 WeakPolarHBondContact O-CB 3.22Å; W55-L58 WeakPolarHBondContact O-CG 3.5Å; W55-L58 PolarHBondContact O-N 3.36Å; L58-A60 VanDerWaalsContact C-N 3.31Å; L58-A60 PolarHBondContact O-N 3.26Å; L58-Y61 CarbonylContact O-C 2.88Å; L58-Y61 WeakPolarHBondContact O-CB 3.29Å; L58-Y61 PolarHBondContact O-N 3.32Å; L58-Y61 VanDerWaalsContact O-N 3.08Å; L58-T62 WeakPolarHBondContact O-CG2 3.39Å; L58-T62 PolarHBondContact O-N 3.44Å; L58-T62 PolarHBondContact O-OG1 2.93Å
59F97.3Very high95.7Very high61 Ų6187.5 Ų87.527%0.26844%0.437SS..Hα-helixtrans-58.3-41.1179.984.5-82.7000113F57 T62 I63 L115 L118F57-F59 PolarHBondContact O-N 3.38Å; F59-T62 WeakPolarHBondContact CA-OG1 3.37Å; F59-T62 PolarHBondContact O-OG1 3.47Å; F59-I63 HydrophobicContact CD2-CD1 4.23Å; F59-I63 WeakPolarHBondContact O-CD1 3.37Å; F59-I63 VanDerWaalsContact O-CG1 3.25Å; F59-I63 WeakPolarHBondContact O-CG1 3.38Å; F59-I63 PolarHBondContact O-N 3.41Å; F59-I63 VanDerWaalsContact O-N 3.16Å; F59-L115 HydrophobicContact CD2-CD2 4.05Å; F59-L115 HydrophobicContact CG-CD2 4.48Å; F59-L118 HydrophobicContact CB-CB 3.92Å
60A95.9Very high95.9Very high8 Ų890.9 Ų90.97%0.06644%0.439CS..Hα-helixtrans-72.8-35.2179.800000110.8F57 L58 L64 L77F57-A60 PolarHBondContact O-N 3.22Å; L58-A60 VanDerWaalsContact C-N 3.31Å; L58-A60 PolarHBondContact O-N 3.26Å; A60-L64 WeakPolarHBondContact O-CB 3.29Å; A60-L64 PolarHBondContact O-N 2.83Å; A60-L77 HydrophobicContact CB-CD1 4.27Å; A60-L77 HydrophobicContact CB-CG 4.38Å
61Y96.4Very high96.1Very high52 Ų5289.1 Ų89.120%0.20443%0.434CS..Hα-helixtrans-69.2-38.4177.1174.6-105.1000113I51 P53 F57 L58 L64 R65I51-Y61 PolarHBondContact O-OH 3.12Å; P53-Y61 HydrophobicContact CG-CD1 4.08Å; P53-Y61 HydrophobicContact CG-CD2 4.13Å; P53-Y61 HydrophobicContact CG-CG 3.79Å; F57-Y61 WeakPolarHBondContact O-CB 3.46Å; F57-Y61 PolarHBondContact O-N 2.71Å; L58-Y61 CarbonylContact O-C 2.88Å; L58-Y61 WeakPolarHBondContact O-CB 3.29Å; L58-Y61 PolarHBondContact O-N 3.32Å; L58-Y61 VanDerWaalsContact O-N 3.08Å; Y61-L64 WeakPolarHBondContact O-CB 3.37Å; Y61-L64 PolarHBondContact O-N 3.49Å; Y61-R65 PolarHBondContact O-N 3.39Å; Y61-R65 PolarHBondContact OH-NE 2.96Å; Y61-R65 PolarHBondContact OH-NH1 3.3Å; Y61-R65 PolarHBondContact OH-NH2 2.96Å
62T96.6Very high96.3Very high49 Ų4985.6 Ų85.630%0.30142%0.422SS..Hα-helixtrans-67.7-41174.451.50000111.2L58 F59 L64 R65 S66 L118L58-T62 WeakPolarHBondContact O-CG2 3.39Å; L58-T62 PolarHBondContact O-N 3.44Å; L58-T62 PolarHBondContact O-OG1 2.93Å; F59-T62 WeakPolarHBondContact CA-OG1 3.37Å; F59-T62 PolarHBondContact O-OG1 3.47Å; T62-L64 PolarHBondContact O-N 3.5Å; T62-R65 PolarHBondContact O-N 3.4Å; T62-S66 WeakPolarHBondContact O-CB 3.42Å; T62-S66 PolarHBondContact O-N 3.04Å; T62-L118 VanDerWaalsContact CB-O 3.31Å; T62-L118 WeakPolarHBondContact CB-O 3.35Å; T62-L118 WeakPolarHBondContact CG2-O 3.41Å; T62-L118 PolarHBondContact OG1-O 3.13Å
63I96.8Very high96.5Very high33 Ų3379.9 Ų79.917%0.16940%0.398CS..Hα-helixtrans-57.2-48.6170.1-68167000111F59 R65 S66 A76 L118F59-I63 HydrophobicContact CD2-CD1 4.23Å; F59-I63 WeakPolarHBondContact O-CD1 3.37Å; F59-I63 VanDerWaalsContact O-CG1 3.25Å; F59-I63 WeakPolarHBondContact O-CG1 3.38Å; F59-I63 PolarHBondContact O-N 3.41Å; F59-I63 VanDerWaalsContact O-N 3.16Å; I63-R65 VanDerWaalsContact C-N 3.33Å; I63-R65 PolarHBondContact O-N 2.9Å; I63-S66 PolarHBondContact O-N 3.24Å; I63-S66 PolarHBondContact O-OG 3.14Å; I63-A76 HydrophobicContact CG2-CB 3.97Å; I63-L118 HydrophobicContact CD1-CD1 4.21Å; I63-L118 HydrophobicContact CG1-CD1 4.22Å; I63-L118 HydrophobicContact CG1-CD2 4.34Å
64L96.5Very high96.6Very high57 Ų5781.9 Ų81.930%0.29841%0.409SS..Hα-helixtrans-56.9-44.2178.617969.3000112.3A60 Y61 T62 G73 V74 L77A60-L64 WeakPolarHBondContact O-CB 3.29Å; A60-L64 PolarHBondContact O-N 2.83Å; Y61-L64 WeakPolarHBondContact O-CB 3.37Å; Y61-L64 PolarHBondContact O-N 3.49Å; T62-L64 PolarHBondContact O-N 3.5Å; L64-G73 WeakPolarHBondContact CD1-O 2.93Å; L64-V74 HydrophobicContact CD1-CG2 4.32Å; L64-L77 HydrophobicContact CB-CD1 4.12Å; L64-L77 HydrophobicContact CD1-CB 4.38Å; L64-L77 HydrophobicContact CD1-CD1 4.43Å; L64-L77 HydrophobicContact CD2-CD1 4.3Å
65R95.5Very high96.6Very high167 Ų16781.9 Ų81.963%0.6341%0.412SS*.Hα-helixtrans-77.8-21.5-178.4-77-174.6161.3-171.5-3.5114.2Y61 T62 I63 V67Y61-R65 PolarHBondContact O-N 3.39Å; Y61-R65 PolarHBondContact OH-NE 2.96Å; Y61-R65 PolarHBondContact OH-NH1 3.3Å; Y61-R65 PolarHBondContact OH-NH2 2.96Å; T62-R65 PolarHBondContact O-N 3.4Å; I63-R65 VanDerWaalsContact C-N 3.33Å; I63-R65 PolarHBondContact O-N 2.9Å; R65-V67 PolarHBondContact O-N 3.28Å
66S96.4Very high96.7Very high85 Ų8576.3 Ų76.359%0.59440%0.396SS*.Hα-helixtrans-66.4-23178.2740000113.2T62 I63 P68T62-S66 WeakPolarHBondContact O-CB 3.42Å; T62-S66 PolarHBondContact O-N 3.04Å; I63-S66 PolarHBondContact O-N 3.24Å; I63-S66 PolarHBondContact O-OG 3.14Å; S66-P68 WeakPolarHBondContact O-CD 3.4Å
67V97.2Very high96.7Very high48 Ų4873.1 Ų73.129%0.29139%0.386SS..SBendtrans-98113.6-178.8-175.50000109.8R65 N69 A76R65-V67 PolarHBondContact O-N 3.28Å; V67-N69 HydrophobicContact CG1-CB 4.13Å; V67-N69 PolarHBondContact O-N 2.93Å; V67-A76 HydrophobicContact CG2-CB 4.13Å
68P96.4Very high96.7Very high139 Ų13972.3 Ų72.390%0.90339%0.387SS*.SBendtrans-77.841.2-179.934.2-37.3000112.4S66S66-P68 WeakPolarHBondContact O-CD 3.4Å
69N97.4Very high96.7Very high94 Ų9474.5 Ų74.550%0.50340%0.398SS..SBendtrans-143.8130.8176.8-176.5-72.4000109.8V67 L71 G72 G73V67-N69 HydrophobicContact CG1-CB 4.13Å; V67-N69 PolarHBondContact O-N 2.93Å; N69-L71 PolarHBondContact O-N 3.4Å; N69-L71 PolarHBondContact OD1-N 3.45Å; N69-G72 PolarHBondContact O-N 3.27Å; N69-G72 PolarHBondContact OD1-N 3.05Å; N69-G73 PolarHBondContact O-N 3.03Å
70K93.7Very high96.6Very high193 Ų19373 Ų7384%0.83940%0.395SS*.Hα-helixtrans-59.7-48.1-176.8-172.5177.2-177.4178.40113.1V74K70-V74 WeakPolarHBondContact O-CG2 3.34Å; K70-V74 PolarHBondContact O-N 3.29Å
71L97.1Very high96.6Very high120 Ų12077.1 Ų77.163%0.62842%0.415SS*.Hα-helixtrans-74.2-41.7-179.4-179147.4000110.8N69 G73 V74 L75N69-L71 PolarHBondContact O-N 3.4Å; N69-L71 PolarHBondContact OD1-N 3.45Å; L71-G73 PolarHBondContact O-N 3.2Å; L71-V74 PolarHBondContact O-N 2.94Å; L71-L75 HydrophobicContact CD2-CD1 3.48Å; L71-L75 VanDerWaalsContact CD2-CD1 3.48Å; L71-L75 HydrophobicContact CD2-CG 4.11Å; L71-L75 HydrophobicContact CG-CD1 4.43Å; L71-L75 WeakPolarHBondContact O-CG 3.47Å; L71-L75 PolarHBondContact O-N 3.04Å
72G97.4Very high96.6Very high22 Ų2279.7 Ų79.723%0.22743%0.432CS..Hα-helixtrans-60-44.2178.500000112.8N69 L75 A76N69-G72 PolarHBondContact O-N 3.27Å; N69-G72 PolarHBondContact OD1-N 3.05Å; G72-L75 PolarHBondContact O-N 3.35Å; G72-A76 WeakPolarHBondContact O-CB 2.98Å; G72-A76 PolarHBondContact O-N 3.16Å
73G96.9Very high96.7Very high2 Ų281.5 Ų81.52%0.02144%0.439CS..Hα-helixtrans-62.9-44.3176.900000112.5L64 N69 L71 L75 A76 L77L64-G73 WeakPolarHBondContact CD1-O 2.93Å; N69-G73 PolarHBondContact O-N 3.03Å; L71-G73 PolarHBondContact O-N 3.2Å; G73-L75 VanDerWaalsContact C-N 3.35Å; G73-L75 PolarHBondContact O-N 3.19Å; G73-A76 PolarHBondContact O-N 3.16Å; G73-L77 PolarHBondContact O-N 3.31Å
74V97.3Very high96.6Very high75 Ų7585.2 Ų85.246%0.45546%0.458SS..Hα-helixtrans-63.4-42.3178.1173.70000111L64 K70 L71 L77 L78L64-V74 HydrophobicContact CD1-CG2 4.32Å; K70-V74 WeakPolarHBondContact O-CG2 3.34Å; K70-V74 PolarHBondContact O-N 3.29Å; L71-V74 PolarHBondContact O-N 2.94Å; V74-L77 PolarHBondContact O-N 2.92Å; V74-L78 HydrophobicContact CG1-CD1 4.3Å; V74-L78 WeakPolarHBondContact O-CG 3.49Å; V74-L78 PolarHBondContact O-N 3.3Å
75L97.8Very high96.6Very high88 Ų8886 Ų8646%0.46147%0.474SS..Hα-helixtrans-63.5-42.9174.5-71.3-178.8000111.8L71 G72 G73 L77 L78 L79L71-L75 HydrophobicContact CD2-CD1 3.48Å; L71-L75 VanDerWaalsContact CD2-CD1 3.48Å; L71-L75 HydrophobicContact CD2-CG 4.11Å; L71-L75 HydrophobicContact CG-CD1 4.43Å; L71-L75 WeakPolarHBondContact O-CG 3.47Å; L71-L75 PolarHBondContact O-N 3.04Å; G72-L75 PolarHBondContact O-N 3.35Å; G73-L75 VanDerWaalsContact C-N 3.35Å; G73-L75 PolarHBondContact O-N 3.19Å; L75-L77 PolarHBondContact O-N 3.14Å; L75-L78 PolarHBondContact O-N 2.63Å; L75-L79 VanDerWaalsContact O-CB 3.31Å; L75-L79 WeakPolarHBondContact O-CB 3.39Å; L75-L79 VanDerWaalsContact O-CG 3.22Å; L75-L79 WeakPolarHBondContact O-CG 3.49Å; L75-L79 PolarHBondContact O-N 2.84Å
76A97.1Very high96.7Very high27 Ų2782.3 Ų82.322%0.22346%0.464CS..Hα-helixtrans-61.2-43.6178.100000111.9I63 V67 G72 G73 L79 S80I63-A76 HydrophobicContact CG2-CB 3.97Å; V67-A76 HydrophobicContact CG2-CB 4.13Å; G72-A76 WeakPolarHBondContact O-CB 2.98Å; G72-A76 PolarHBondContact O-N 3.16Å; G73-A76 PolarHBondContact O-N 3.16Å; A76-L79 PolarHBondContact O-N 3.08Å; A76-S80 PolarHBondContact O-N 2.93Å
77L96.5Very high96.6Very high47 Ų4782.9 Ų82.925%0.24646%0.46CS..Hα-helixtrans-60.1-49.6174.9178.6151000111.4A60 L64 G73 V74 L75 L79 S80A60-L77 HydrophobicContact CB-CD1 4.27Å; A60-L77 HydrophobicContact CB-CG 4.38Å; L64-L77 HydrophobicContact CB-CD1 4.12Å; L64-L77 HydrophobicContact CD1-CB 4.38Å; L64-L77 HydrophobicContact CD1-CD1 4.43Å; L64-L77 HydrophobicContact CD2-CD1 4.3Å; G73-L77 PolarHBondContact O-N 3.31Å; V74-L77 PolarHBondContact O-N 2.92Å; L75-L77 PolarHBondContact O-N 3.14Å; L77-L79 VanDerWaalsContact C-N 3.33Å; L77-L79 PolarHBondContact O-N 3.28Å; L77-S80 WeakPolarHBondContact O-CB 3.42Å; L77-S80 PolarHBondContact O-N 3.3Å; L77-S80 PolarHBondContact O-OG 2.92Å
78L96.9Very high96.5Very high89 Ų8985.3 Ų85.347%0.46648%0.476SS..Hα-helixtrans-61.2-43.6178.7-71.1172.6000111.5V74 L75 S80 I81 L82V74-L78 HydrophobicContact CG1-CD1 4.3Å; V74-L78 WeakPolarHBondContact O-CG 3.49Å; V74-L78 PolarHBondContact O-N 3.3Å; L75-L78 PolarHBondContact O-N 2.63Å; L78-S80 VanDerWaalsContact C-N 3.3Å; L78-S80 PolarHBondContact O-N 3.46Å; L78-I81 PolarHBondContact O-N 2.63Å; L78-L82 WeakPolarHBondContact O-CG 3.31Å; L78-L82 PolarHBondContact O-N 3.15Å
79L96.9Very high96.6Very high109 Ų10984.3 Ų84.357%0.57146%0.462SS*.Hα-helixtrans-65.6-31.6178.9-72.3175.4000112.7L75 A76 L77 I81 L82 I83L75-L79 VanDerWaalsContact O-CB 3.31Å; L75-L79 WeakPolarHBondContact O-CB 3.39Å; L75-L79 VanDerWaalsContact O-CG 3.22Å; L75-L79 WeakPolarHBondContact O-CG 3.49Å; L75-L79 PolarHBondContact O-N 2.84Å; A76-L79 PolarHBondContact O-N 3.08Å; L77-L79 VanDerWaalsContact C-N 3.33Å; L77-L79 PolarHBondContact O-N 3.28Å; L79-I81 PolarHBondContact O-N 2.68Å; L79-L82 PolarHBondContact O-N 3.37Å; L79-I83 WeakPolarHBondContact O-CB 3.49Å; L79-I83 PolarHBondContact O-N 3.16Å
80S96Very high96.5Very high29 Ų2984.8 Ų84.820%0.20346%0.464CS..Hα-helixtrans-59.3-27.6177.2770000113.3A76 L77 L78 I83A76-S80 PolarHBondContact O-N 2.93Å; L77-S80 WeakPolarHBondContact O-CB 3.42Å; L77-S80 PolarHBondContact O-N 3.3Å; L77-S80 PolarHBondContact O-OG 2.92Å; L78-S80 VanDerWaalsContact C-N 3.3Å; L78-S80 PolarHBondContact O-N 3.46Å; S80-I83 WeakPolarHBondContact O-CG2 3.46Å
81I96.8Very high96.6Very high95 Ų9579.6 Ų79.649%0.48744%0.443SS..Hα-helixtrans-95-45.2176.1-58.3173.2000110.3L78 L79 I83 L84L78-I81 PolarHBondContact O-N 2.63Å; L79-I81 PolarHBondContact O-N 2.68Å; I81-I83 PolarHBondContact O-N 3.18Å; I81-L84 WeakPolarHBondContact O-CB 3.32Å; I81-L84 WeakPolarHBondContact O-CG 3.35Å; I81-L84 PolarHBondContact O-N 3.14Å; I81-L84 VanDerWaalsContact O-N 3.09Å
82L96.5Very high96.5Very high105 Ų10581.6 Ų81.655%0.5545%0.451SS..Hα-helixtrans-63.3-25.5-177.5-70.6175000113.2L78 L79 L84 A85L78-L82 WeakPolarHBondContact O-CG 3.31Å; L78-L82 PolarHBondContact O-N 3.15Å; L79-L82 PolarHBondContact O-N 3.37Å; L82-L84 PolarHBondContact O-N 3.09Å; L82-L84 VanDerWaalsContact O-N 3.14Å; L82-A85 WeakPolarHBondContact O-CB 3.25Å; L82-A85 PolarHBondContact O-N 3.27Å
83I96.6Very high96.4Very high87 Ų8782.2 Ų82.245%0.44645%0.452SS..Hα-helixtrans-57.5-27175.3-163.466.7000112.4L79 S80 I81 A85 M86 I87 L90L79-I83 WeakPolarHBondContact O-CB 3.49Å; L79-I83 PolarHBondContact O-N 3.16Å; S80-I83 WeakPolarHBondContact O-CG2 3.46Å; I81-I83 PolarHBondContact O-N 3.18Å; I83-A85 VanDerWaalsContact C-N 3.27Å; I83-A85 PolarHBondContact O-N 3.29Å; I83-M86 HydrophobicContact CD1-CB 4.34Å; I83-M86 WeakPolarHBondContact O-CB 3.38Å; I83-M86 PolarHBondContact O-N 3.34Å; I83-I87 PolarHBondContact O-N 2.93Å; I83-L90 HydrophobicContact CD1-CD1 4.43Å
84L96.4Very high96.3Very high111 Ų11192.6 Ų92.658%0.58150%0.496SS*.Hα-helixtrans-60.7-36.8176.3-63.2177.9000112.2I81 L82 M86 I87I81-L84 WeakPolarHBondContact O-CB 3.32Å; I81-L84 WeakPolarHBondContact O-CG 3.35Å; I81-L84 PolarHBondContact O-N 3.14Å; I81-L84 VanDerWaalsContact O-N 3.09Å; L82-L84 PolarHBondContact O-N 3.09Å; L82-L84 VanDerWaalsContact O-N 3.14Å; L84-M86 PolarHBondContact O-N 3.37Å; L84-I87 HydrophobicContact CB-CD1 4.46Å; L84-I87 HydrophobicContact CD2-CD1 3.74Å; L84-I87 WeakPolarHBondContact O-CB 3.35Å; L84-I87 WeakPolarHBondContact O-CG1 3.41Å; L84-I87 PolarHBondContact O-N 3.02Å
85A96.5Very high96.2Very high75 Ų7593.4 Ų93.462%0.6250%0.495SS*.Hα-helixtrans-69.5-22.5176.700000112.6L82 I83 P88L82-A85 WeakPolarHBondContact O-CB 3.25Å; L82-A85 PolarHBondContact O-N 3.27Å; I83-A85 VanDerWaalsContact C-N 3.27Å; I83-A85 PolarHBondContact O-N 3.29Å; A85-P88 WeakPolarHBondContact O-CD 3.46Å
86M96.1Very high96Very high89 Ų8998 Ų9844%0.43851%0.514SS..Hα-helixtrans-83.4-16.6178.2-62.4-62.2-7000112.9I83 L84 P88 I89 L90I83-M86 HydrophobicContact CD1-CB 4.34Å; I83-M86 WeakPolarHBondContact O-CB 3.38Å; I83-M86 PolarHBondContact O-N 3.34Å; L84-M86 PolarHBondContact O-N 3.37Å; M86-P88 VanDerWaalsContact C-CD 3.46Å; M86-I89 HydrophobicContact CE-CD1 4.38Å; M86-I89 PolarHBondContact O-N 3.2Å; M86-I89 HydrophobicContact SD-CD1 4.27Å; M86-L90 HydrophobicContact CB-CD1 4.06Å; M86-L90 HydrophobicContact CB-CG 4.43Å; M86-L90 WeakPolarHBondContact O-CG 3.45Å; M86-L90 PolarHBondContact O-N 3.04Å
87I95.9Very high95.9Very high97 Ų97100 Ų10050%0.49753%0.526SS..THydrogen-bonded Turntrans-50.4-45.9-177-67.7175.6000113.3I83 L84 I89 L90 H91I83-I87 PolarHBondContact O-N 2.93Å; L84-I87 HydrophobicContact CB-CD1 4.46Å; L84-I87 HydrophobicContact CD2-CD1 3.74Å; L84-I87 WeakPolarHBondContact O-CB 3.35Å; L84-I87 WeakPolarHBondContact O-CG1 3.41Å; L84-I87 PolarHBondContact O-N 3.02Å; I87-I89 VanDerWaalsContact C-N 3.29Å; I87-I89 PolarHBondContact O-N 3.34Å; I87-L90 PolarHBondContact O-N 3.32Å; I87-H91 PolarHBondContact O-N 2.74Å
88P94.8Very high95.9Very high98 Ų98101.7 Ų101.764%0.63653%0.534SS*.THydrogen-bonded Turntrans-62.1-36.2-179.7-23.335.2000113.1A85 M86 H91A85-P88 WeakPolarHBondContact O-CD 3.46Å; M86-P88 VanDerWaalsContact C-CD 3.46Å; P88-H91 WeakPolarHBondContact O-CB 3.4Å; P88-H91 PolarHBondContact O-N 2.94Å
89I97.1Very high95.9Very high118 Ų118103.4 Ų103.461%0.60554%0.541SS*.THydrogen-bonded Turntrans-76-31.8-178.4-55.1169.5000110.5M86 I87 H91M86-I89 HydrophobicContact CE-CD1 4.38Å; M86-I89 PolarHBondContact O-N 3.2Å; M86-I89 HydrophobicContact SD-CD1 4.27Å; I87-I89 VanDerWaalsContact C-N 3.29Å; I87-I89 PolarHBondContact O-N 3.34Å; I89-H91 PolarHBondContact O-N 3.24Å
90L96.2Very high95.8Very high104 Ų104105.2 Ų105.255%0.54555%0.545SS..THydrogen-bonded Turntrans-77.2-6.5177.2-64.7172.8000113.2I83 M86 I87 M92I83-L90 HydrophobicContact CD1-CD1 4.43Å; M86-L90 HydrophobicContact CB-CD1 4.06Å; M86-L90 HydrophobicContact CB-CG 4.43Å; M86-L90 WeakPolarHBondContact O-CG 3.45Å; M86-L90 PolarHBondContact O-N 3.04Å; I87-L90 PolarHBondContact O-N 3.32Å; L90-M92 PolarHBondContact O-N 3.37Å; L90-M92 VanDerWaalsContact O-N 3.1Å
91H96.2Very high95.8Very high84 Ų84106.4 Ų106.439%0.38955%0.545SS..  trans-76.498-178.9-170.789.7000112.1I87 P88 I89 S93 Q95I87-H91 PolarHBondContact O-N 2.74Å; P88-H91 WeakPolarHBondContact O-CB 3.4Å; P88-H91 PolarHBondContact O-N 2.94Å; I89-H91 PolarHBondContact O-N 3.24Å; H91-S93 PolarHBondContact CD2-O 3.18Å; H91-S93 PolarHBondContact NE2-O 3.31Å; H91-Q95 PolarHBondContact CE1-O 3.39Å; H91-Q95 PolarHBondContact NE2-O 2.78Å
92M94.9Very high95.8Very high163 Ų163106.6 Ų106.680%0.80355%0.552SS**  trans-95.6-3.5179.2-58.5-57.6171.400114.5L90L90-M92 PolarHBondContact O-N 3.37Å; L90-M92 VanDerWaalsContact O-N 3.1Å
93S95.1Very high95.8Very high35 Ų35108.3 Ų108.325%0.24556%0.561CS.*  trans-77.3145.4-176.8169.90000111.7H91 Q95 R101H91-S93 PolarHBondContact CD2-O 3.18Å; H91-S93 PolarHBondContact NE2-O 3.31Å; S93-Q95 PolarHBondContact O-N 3.24Å; S93-Q95 PolarHBondContact OG-N 3.33Å; S93-Q95 PolarHBondContact OG-O 2.99Å; S93-R101 PolarHBondContact OG-NE 2.96Å; S93-R101 PolarHBondContact OG-NH1 3.33Å
94K94.4Very high95.8Very high219 Ų219105.4 Ų105.495%0.95255%0.548SS*.SBendtrans-74.5-18171.1-60.7-173.9-177.8-177.30112.9
95Q95.2Very high95.8Very high93 Ų93103.5 Ų103.544%0.43554%0.537SS..  trans-105.3125.3177.9-65.2174.8-17.500110H91 S93 R101H91-Q95 PolarHBondContact CE1-O 3.39Å; H91-Q95 PolarHBondContact NE2-O 2.78Å; S93-Q95 PolarHBondContact O-N 3.24Å; S93-Q95 PolarHBondContact OG-N 3.33Å; S93-Q95 PolarHBondContact OG-O 2.99Å; Q95-R101 PolarHBondContact O-NH1 2.82Å; Q95-R101 VanDerWaalsContact OE1-CG 3.29Å
96Q93.8Very high95.9Very high184 Ų184102.6 Ų102.686%0.8653%0.526SS*.SBendtrans-64.1-50.3179.3-171.8-149.7-8.100111.8
97S95.7Very high96Very high68 Ų68103.7 Ų103.748%0.47653%0.533SS..SBendtrans-80.4152.2-178-179.90000112.3M99 R101S97-M99 VanDerWaalsContact C-N 3.33Å; S97-M99 WeakPolarHBondContact OG-CB 3.48Å; S97-M99 PolarHBondContact OG-N 3.03Å; S97-R101 WeakPolarHBondContact O-CD 3.45Å
98M96.3Very high96.1Very high83 Ų83105 Ų10541%0.40953%0.533SS..SBendtrans-83-7170-60.4-170.2-168.200113.1F100 R101 Q105 Y108M98-F100 PolarHBondContact O-N 3.34Å; M98-R101 PolarHBondContact O-N 3.24Å; M98-Q105 HydrophobicContact CB-CG 4.21Å; M98-Q105 VanDerWaalsContact O-CG 3.3Å; M98-Q105 WeakPolarHBondContact O-CG 3.45Å; M98-Q105 PolarHBondContact O-NE2 2.9Å; M98-Y108 HydrophobicContact SD-CG 4.42Å
99M96.3Very high96.2Very high126 Ų126108.5 Ų108.562%0.62153%0.533SS*.THydrogen-bonded Turntrans-51.8-34.6-174.7-175.5179.2177.500114S97 Q105S97-M99 VanDerWaalsContact C-N 3.33Å; S97-M99 WeakPolarHBondContact OG-CB 3.48Å; S97-M99 PolarHBondContact OG-N 3.03Å; M99-Q105 VanDerWaalsContact C-NE2 3.25Å; M99-Q105 PolarHBondContact O-NE2 3.42Å
100F95.5Very high96.3Very high147 Ų147108.3 Ų108.365%0.64553%0.533SS*.THydrogen-bonded Turntrans-111.322.3-179.7-53.9-63.6000113.3M98 P102M98-F100 PolarHBondContact O-N 3.34Å; F100-P102 WeakPolarHBondContact O-CD 3.44Å
101R96.3Very high96.4Very high54 Ų54108.1 Ų108.120%0.20453%0.532CS..  trans-123.979.6-177.5-64.8171.854.2-168.8-1.5110.6S93 Q95 S97 M98 L103 S104 Q105S93-R101 PolarHBondContact OG-NE 2.96Å; S93-R101 PolarHBondContact OG-NH1 3.33Å; Q95-R101 PolarHBondContact O-NH1 2.82Å; Q95-R101 VanDerWaalsContact OE1-CG 3.29Å; S97-R101 WeakPolarHBondContact O-CD 3.45Å; M98-R101 PolarHBondContact O-N 3.24Å; R101-L103 VanDerWaalsContact C-N 3.34Å; R101-L103 PolarHBondContact O-N 3.48Å; R101-S104 PolarHBondContact NE-OG 3.48Å; R101-S104 PolarHBondContact NH2-OG 3.25Å; R101-S104 PolarHBondContact O-N 3Å; R101-Q105 PolarHBondContact O-N 3.36Å
102P96.1Very high96.4Very high99 Ų99105.6 Ų105.664%0.64353%0.525SS*.Hα-helixtrans-54.5-44.2-172.2-2734.6000114F100 S104 Q105 S106F100-P102 WeakPolarHBondContact O-CD 3.44Å; P102-S104 VanDerWaalsContact C-N 3.31Å; P102-S104 PolarHBondContact O-N 3.37Å; P102-Q105 PolarHBondContact O-N 2.94Å; P102-S106 PolarHBondContact O-N 3.47Å
103L96.8Very high96.6Very high140 Ų14099.9 Ų99.973%0.73350%0.504SS*.Hα-helixtrans-63.8-34.8177.4-66.3174.8000112.8R101 S106 L107R101-L103 VanDerWaalsContact C-N 3.34Å; R101-L103 PolarHBondContact O-N 3.48Å; L103-S106 PolarHBondContact O-OG 3.38Å; L103-L107 WeakPolarHBondContact O-CG 3.4Å; L103-L107 PolarHBondContact O-N 2.87Å
104S96.4Very high96.7Very high26 Ų26102.1 Ų102.118%0.18251%0.513CS..Hα-helixtrans-75.8-33.2177.8-55.80000111.7R101 P102 L107 Y108R101-S104 PolarHBondContact NE-OG 3.48Å; R101-S104 PolarHBondContact NH2-OG 3.25Å; R101-S104 PolarHBondContact O-N 3Å; P102-S104 VanDerWaalsContact C-N 3.31Å; P102-S104 PolarHBondContact O-N 3.37Å; S104-L107 PolarHBondContact O-N 3.02Å; S104-Y108 WeakPolarHBondContact O-CB 3.42Å; S104-Y108 PolarHBondContact O-N 3.32Å
105Q97.2Very high96.9Very high71 Ų7195.6 Ų95.633%0.33249%0.488SS..Hα-helixtrans-63.4-45.4172.2-67.6178.312.300111.4M98 M99 R101 P102 L107 Y108 W109M98-Q105 HydrophobicContact CB-CG 4.21Å; M98-Q105 VanDerWaalsContact O-CG 3.3Å; M98-Q105 WeakPolarHBondContact O-CG 3.45Å; M98-Q105 PolarHBondContact O-NE2 2.9Å; M99-Q105 VanDerWaalsContact C-NE2 3.25Å; M99-Q105 PolarHBondContact O-NE2 3.42Å; R101-Q105 PolarHBondContact O-N 3.36Å; P102-Q105 PolarHBondContact O-N 2.94Å; Q105-L107 VanDerWaalsContact C-N 3.33Å; Q105-L107 PolarHBondContact O-N 3.42Å; Q105-Y108 PolarHBondContact O-N 3.24Å; Q105-W109 PolarHBondContact O-N 2.88Å
106S97.8Very high96.9Very high57 Ų5798.5 Ų98.540%0.39951%0.506SS..Hα-helixtrans-62.2-41.5178.259.40000111.9P102 L103 W109 L110P102-S106 PolarHBondContact O-N 3.47Å; L103-S106 PolarHBondContact O-OG 3.38Å; S106-W109 PolarHBondContact O-N 3.47Å; S106-L110 WeakPolarHBondContact O-CG 3.37Å; S106-L110 PolarHBondContact O-N 2.7Å
107L97.7Very high97.1Very high112 Ų11296.5 Ų96.559%0.58650%0.5SS*.Hα-helixtrans-65.7-37.3175.7-71.2172.2000112.7L103 S104 Q105 L110 L111L103-L107 WeakPolarHBondContact O-CG 3.4Å; L103-L107 PolarHBondContact O-N 2.87Å; S104-L107 PolarHBondContact O-N 3.02Å; Q105-L107 VanDerWaalsContact C-N 3.33Å; Q105-L107 PolarHBondContact O-N 3.42Å; L107-L110 HydrophobicContact CD2-CD1 4.29Å; L107-L110 PolarHBondContact O-N 3.11Å; L107-L111 PolarHBondContact O-N 3.28Å
108Y97.5Very high97Very high124 Ų12496.2 Ų96.249%0.48649%0.493SS..Hα-helixtrans-62.4-44.6174.3173.3-96.8000111.8M98 S104 Q105 L111 A112M98-Y108 HydrophobicContact SD-CG 4.42Å; S104-Y108 WeakPolarHBondContact O-CB 3.42Å; S104-Y108 PolarHBondContact O-N 3.32Å; Q105-Y108 PolarHBondContact O-N 3.24Å; Y108-L111 WeakPolarHBondContact O-CB 3.47Å; Y108-L111 PolarHBondContact O-N 3.07Å; Y108-A112 PolarHBondContact O-N 3.21Å
109W98.1Very high97.1Very high172 Ų17296.9 Ų96.965%0.65250%0.497SS*.Hα-helixtrans-68.4-34.1176.9-71.8117.2000112.9Q105 S106 A112 A113Q105-W109 PolarHBondContact O-N 2.88Å; S106-W109 PolarHBondContact O-N 3.47Å; W109-A112 HydrophobicContact CE3-CB 4.36Å; W109-A112 PolarHBondContact O-N 2.88Å; W109-A113 WeakPolarHBondContact O-CB 3.43Å; W109-A113 PolarHBondContact O-N 3.39Å
110L98.4Very high97.1Very high113 Ų11395.4 Ų95.459%0.59249%0.49SS*.Hα-helixtrans-62-43.7170.5-76.5167.5000111.4S106 L107 A113 D114S106-L110 WeakPolarHBondContact O-CG 3.37Å; S106-L110 PolarHBondContact O-N 2.7Å; L107-L110 HydrophobicContact CD2-CD1 4.29Å; L107-L110 PolarHBondContact O-N 3.11Å; L110-A113 PolarHBondContact O-N 3.32Å; L110-D114 WeakPolarHBondContact O-CB 3.35Å; L110-D114 PolarHBondContact O-N 3.43Å
111L97.8Very high97.2Very high101 Ų10192.5 Ų92.553%0.52948%0.482SS..Hα-helixtrans-62.3-41.9174.8-179.869000111.9L107 Y108 A113 D114 L115L107-L111 PolarHBondContact O-N 3.28Å; Y108-L111 WeakPolarHBondContact O-CB 3.47Å; Y108-L111 PolarHBondContact O-N 3.07Å; L111-A113 VanDerWaalsContact C-N 3.33Å; L111-A113 PolarHBondContact O-N 2.88Å; L111-D114 PolarHBondContact O-N 2.94Å; L111-L115 WeakPolarHBondContact O-CG 3.35Å; L111-L115 PolarHBondContact O-N 3.17Å
112A97.9Very high97.2Very high30 Ų3094.8 Ų94.825%0.24850%0.498CS..Hα-helixtrans-63.8-38.8176.500000112Y108 W109 L116Y108-A112 PolarHBondContact O-N 3.21Å; W109-A112 HydrophobicContact CE3-CB 4.36Å; W109-A112 PolarHBondContact O-N 2.88Å; A112-L116 WeakPolarHBondContact O-CG 3.31Å; A112-L116 PolarHBondContact O-N 3.44Å
113A98.3Very high97.3Very high43 Ų4394.5 Ų94.536%0.35549%0.489SS..Hα-helixtrans-68.7-39.7174.900000112.2W109 L110 L111 L116 I117W109-A113 WeakPolarHBondContact O-CB 3.43Å; W109-A113 PolarHBondContact O-N 3.39Å; L110-A113 PolarHBondContact O-N 3.32Å; L111-A113 VanDerWaalsContact C-N 3.33Å; L111-A113 PolarHBondContact O-N 2.88Å; A113-L116 WeakPolarHBondContact O-CB 3.22Å; A113-L116 PolarHBondContact O-N 3.45Å; A113-L116 VanDerWaalsContact O-N 3.14Å; A113-I117 WeakPolarHBondContact O-CG1 3.4Å; A113-I117 PolarHBondContact O-N 3.33Å; A113-I117 VanDerWaalsContact O-N 3.11Å
114D97.8Very high97.3Very high82 Ų8291.5 Ų91.544%0.43947%0.473SS..Hα-helixtrans-60.3-45.5175.5-172.968.2000111.3L110 L111 L116 I117 L118L110-D114 WeakPolarHBondContact O-CB 3.35Å; L110-D114 PolarHBondContact O-N 3.43Å; L111-D114 PolarHBondContact O-N 2.94Å; D114-L116 PolarHBondContact O-N 2.99Å; D114-I117 PolarHBondContact O-N 3.04Å; D114-L118 WeakPolarHBondContact O-CG 3.43Å; D114-L118 PolarHBondContact O-N 3.19Å
115L97.1Very high97.4Very high83 Ų8396.1 Ų96.144%0.43549%0.494SS..Hα-helixtrans-63.1-24.1174.5-74.3173.9000114.4F59 L111 L118F59-L115 HydrophobicContact CD2-CD2 4.05Å; F59-L115 HydrophobicContact CG-CD2 4.48Å; L111-L115 WeakPolarHBondContact O-CG 3.35Å; L111-L115 PolarHBondContact O-N 3.17Å; L115-L118 HydrophobicContact CD2-CD1 4.45Å
116L96.6Very high97.4Very high153 Ų15398.1 Ų98.180%0.80151%0.506SS*.Hα-helixtrans-81.9-24.3174-73.4170.8000112.5A112 A113 D114A112-L116 WeakPolarHBondContact O-CG 3.31Å; A112-L116 PolarHBondContact O-N 3.44Å; A113-L116 WeakPolarHBondContact O-CB 3.22Å; A113-L116 PolarHBondContact O-N 3.45Å; A113-L116 VanDerWaalsContact O-N 3.14Å; D114-L116 PolarHBondContact O-N 2.99Å
117I96.4Very high97.4Very high143 Ų143101.5 Ų101.573%0.73352%0.515SS*.Hα-helixtrans-83.1-34.7176.8-68166.4000110.6A113 D114A113-I117 WeakPolarHBondContact O-CG1 3.4Å; A113-I117 PolarHBondContact O-N 3.33Å; A113-I117 VanDerWaalsContact O-N 3.11Å; D114-I117 PolarHBondContact O-N 3.04Å
118L95.1Very high97.4Very high62 Ų62100.5 Ų100.533%0.32551%0.509SS..  trans-67.90173.8-71.9173.6000112.4F59 T62 I63 D114 L115F59-L118 HydrophobicContact CB-CB 3.92Å; T62-L118 VanDerWaalsContact CB-O 3.31Å; T62-L118 WeakPolarHBondContact CB-O 3.35Å; T62-L118 WeakPolarHBondContact CG2-O 3.41Å; T62-L118 PolarHBondContact OG1-O 3.13Å; I63-L118 HydrophobicContact CD1-CD1 4.21Å; I63-L118 HydrophobicContact CG1-CD1 4.22Å; I63-L118 HydrophobicContact CG1-CD2 4.34Å; D114-L118 WeakPolarHBondContact O-CG 3.43Å; D114-L118 PolarHBondContact O-N 3.19Å; L115-L118 HydrophobicContact CD2-CD1 4.45Å

Retrieved 118 of 118 residues in 77.6 ms (Link to these results)