A0A087YCS0_POEFO Loading...

Valine--tRNA ligase

AlphaFold DB , UniProt , Accession A0A087YCS0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,274 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
1M65.4Low83.5Confident174 Ų17454.5 Ų54.586%0.85731%0.307SS*.  0124.60-159.5178.5-140.700107.2T52M1-T52 WeakPolarHBondContact CA-OG1 3.33Å; M1-T52 PolarHBondContact N-OG1 3.34Å; M1-T52 PolarHBondContact O-OG1 3.49Å
2A84.9Confident83.8Confident22 Ų2252.9 Ų52.918%0.18230%0.297CS..  trans-63.1146.5-174.900000111.3P30 R31 L49 A50 L51A2-P30 HydrophobicContact CB-CB 4.15Å; A2-P30 CarbonylContact O-C 3.44Å; A2-P30 WeakPolarHBondContact O-CA 3.49Å; A2-P30 WeakPolarHBondContact O-CB 3.44Å; A2-R31 PolarHBondContact O-N 2.78Å; A2-L49 HydrophobicContact CB-CD1 3.95Å; A2-L49 HydrophobicContact CB-CG 4.49Å; A2-A50 CarbonylContact C-O 3.16Å; A2-A50 WeakPolarHBondContact CA-O 3.49Å; A2-A50 WeakPolarHBondContact CB-O 3.4Å; A2-L51 HydrophobicContact CB-CD2 4.19Å
3T89.9Confident84Confident26 Ų2650.5 Ų50.516%0.1628%0.282CS..EExtended strand (participates in β ladder)trans-115.9122.7179.6-56.10000109.4Y5 R31 V33 L49 A50T3-Y5 HydrophobicContact CG2-CD2 4.3Å; T3-Y5 HydrophobicContact CG2-CE1 4.16Å; T3-Y5 HydrophobicContact CG2-CE2 3.75Å; T3-R31 CarbonylContact C-O 3.54Å; T3-R31 WeakPolarHBondContact CA-O 3.43Å; T3-R31 WeakPolarHBondContact CG2-O 3.46Å; T3-V33 HydrophobicContact CG2-CB 4.25Å; T3-V33 HydrophobicContact CG2-CG2 3.57Å; T3-L49 WeakPolarHBondContact O-CA 3.32Å; T3-A50 PolarHBondContact N-O 3.28Å; T3-A50 PolarHBondContact O-N 2.86Å
4L91.9Very high84.4Confident0 Ų056.7 Ų56.70%030%0.299CS..EExtended strand (participates in β ladder)trans-101.6110.1179.3178.762.6000109.7V6 A18 L19 P30 R31 I32 V33 P47 A48 L49 V67 L71L4-V6 HydrophobicContact CD1-CG1 4.36Å; L4-V6 HydrophobicContact CD2-CG1 4.08Å; L4-V6 HydrophobicContact CG-CG1 3.82Å; L4-A18 HydrophobicContact CD1-CB 4.37Å; L4-A18 HydrophobicContact CD2-CB 4.27Å; L4-L19 HydrophobicContact CD2-CD2 4.24Å; L4-P30 HydrophobicContact CB-CB 3.84Å; L4-P30 HydrophobicContact CB-CG 3.75Å; L4-P30 HydrophobicContact CD2-CG 4.15Å; L4-R31 PolarHBondContact N-O 3.41Å; L4-I32 WeakPolarHBondContact O-CA 3.15Å; L4-V33 PolarHBondContact O-N 3.36Å; L4-P47 HydrophobicContact CD1-CB 4.26Å; L4-A48 CarbonylContact C-O 3.58Å; L4-A48 WeakPolarHBondContact CA-O 3.35Å; L4-L49 HydrophobicContact CB-CD1 3.91Å; L4-L49 HydrophobicContact CD1-CB 4.22Å; L4-L49 HydrophobicContact CD1-CD1 4.25Å; L4-V67 HydrophobicContact CD1-CG1 3.65Å; L4-L71 HydrophobicContact CD2-CD1 4.46Å
5Y91.3Very high84.9Confident28 Ų2853.1 Ų53.111%0.1128%0.28CS..EExtended strand (participates in β ladder)trans-87.7120.8174.6-60.2-88.4000110.1T3 V33 P37 P38 L41 P47 A48 A50T3-Y5 HydrophobicContact CG2-CD2 4.3Å; T3-Y5 HydrophobicContact CG2-CE1 4.16Å; T3-Y5 HydrophobicContact CG2-CE2 3.75Å; Y5-V33 CarbonylContact C-O 3.41Å; Y5-V33 VanDerWaalsContact CA-O 3.29Å; Y5-V33 WeakPolarHBondContact CA-O 3.39Å; Y5-V33 HydrophobicContact CD1-CB 3.94Å; Y5-V33 HydrophobicContact CD1-CG1 3.89Å; Y5-V33 HydrophobicContact CE1-CB 4.11Å; Y5-V33 HydrophobicContact CE1-CG1 3.92Å; Y5-P37 HydrophobicContact CD1-CB 3.94Å; Y5-P37 HydrophobicContact CD2-CB 3.87Å; Y5-P37 HydrophobicContact CE1-CB 4.22Å; Y5-P37 HydrophobicContact CE2-CB 4.14Å; Y5-P37 HydrophobicContact CG-CB 3.75Å; Y5-P37 HydrophobicContact CG-CG 4.45Å; Y5-P38 WeakPolarHBondContact OH-CD 3.32Å; Y5-L41 HydrophobicContact CE2-CD1 3.68Å; Y5-P47 CarbonylContact O-C 3.5Å; Y5-P47 VanDerWaalsContact O-CA 3.26Å; Y5-P47 WeakPolarHBondContact O-CA 3.17Å; Y5-A48 PolarHBondContact N-O 2.72Å; Y5-A48 PolarHBondContact O-N 3.03Å; Y5-A50 HydrophobicContact CE2-CB 4.12Å
6V91.5Very high85.4Confident4 Ų450.6 Ų50.62%0.02427%0.267CS..  trans-125.8162.2-176.7-68.20000111.9L4 L19 I32 V33 P47L4-V6 HydrophobicContact CD1-CG1 4.36Å; L4-V6 HydrophobicContact CD2-CG1 4.08Å; L4-V6 HydrophobicContact CG-CG1 3.82Å; V6-L19 HydrophobicContact CG1-CD1 4.46Å; V6-L19 HydrophobicContact CG1-CD2 4.09Å; V6-L19 HydrophobicContact CG1-CG 4.09Å; V6-L19 HydrophobicContact CG2-CD2 4.48Å; V6-I32 HydrophobicContact CG2-CG2 3.73Å; V6-V33 PolarHBondContact N-O 3.03Å; V6-P47 HydrophobicContact CG1-CB 4.23Å
7S86.3Confident86Confident30 Ų3048.2 Ų48.221%0.2125%0.254CS..  trans-66.9140.4172-178.90000110.8H9 D12 S15S7-H9 PolarHBondContact O-N 2.92Å; S7-H9 PolarHBondContact OG-N 2.98Å; S7-D12 VanDerWaalsContact CB-OD2 3.32Å; S7-D12 WeakPolarHBondContact CB-OD2 3.36Å; S7-S15 WeakPolarHBondContact CB-OG 3.44Å; S7-S15 PolarHBondContact N-OG 3.1Å
8P78.5Confident86.4Confident93 Ų9345.5 Ų45.560%0.60424%0.24SC*.SBendtrans-73.5-8.5172.430.9-35.4000113.2
9H81.5Confident86.8Confident101 Ų10144.6 Ų44.647%0.46824%0.235SC..  trans-76.2124-178.6-166.9-75.1000110.9S7 D11 D12S7-H9 PolarHBondContact O-N 2.92Å; S7-H9 PolarHBondContact OG-N 2.98Å; H9-D11 PolarHBondContact ND1-N 3.22Å; H9-D11 VanDerWaalsContact ND1-N 3.17Å; H9-D11 PolarHBondContact O-N 3.21Å; H9-D12 HydrophobicContact CB-CB 4.22Å; H9-D12 WeakPolarHBondContact O-CB 3.46Å; H9-D12 PolarHBondContact O-N 2.81Å
10P76.8Confident87.2Confident99 Ų9942.4 Ų42.464%0.64322%0.223SC*.THydrogen-bonded Turntrans-65.4-24.6-172.325.6-34.8000113.7
11D80.3Confident87.5Confident22 Ų2240.4 Ų40.412%0.11821%0.213CC..THydrogen-bonded Turntrans-100.614.5177.1-61.8-52.6000113.7H9 F13 M111 L163 K166 Y167H9-D11 PolarHBondContact ND1-N 3.22Å; H9-D11 VanDerWaalsContact ND1-N 3.17Å; H9-D11 PolarHBondContact O-N 3.21Å; D11-F13 VanDerWaalsContact C-N 3.33Å; D11-F13 PolarHBondContact O-N 2.98Å; D11-M111 HydrophobicContact CB-CE 4.36Å; D11-L163 HydrophobicContact CB-CD2 3.85Å; D11-K166 IonicContact OD1-NZ 2.69Å; D11-K166 PolarHBondContact OD1-NZ 3.1Å; D11-K166 IonicContact OD2-NZ 3.85Å; D11-Y167 PolarHBondContact OD2-OH 3.15Å
12D87.3Confident88.8Confident36 Ų3632.1 Ų32.119%0.19317%0.172CC..  trans-72.587.4174-177.360.9000111.1S7 H9 R14 S15 L16S7-D12 VanDerWaalsContact CB-OD2 3.32Å; S7-D12 WeakPolarHBondContact CB-OD2 3.36Å; H9-D12 HydrophobicContact CB-CB 4.22Å; H9-D12 WeakPolarHBondContact O-CB 3.46Å; H9-D12 PolarHBondContact O-N 2.81Å; D12-R14 PolarHBondContact O-N 2.84Å; D12-S15 PolarHBondContact O-N 3.02Å; D12-S15 WeakPolarHBondContact OD2-CB 3.49Å; D12-S15 PolarHBondContact OD2-N 3.47Å; D12-S15 PolarHBondContact OD2-OG 3.24Å; D12-L16 WeakPolarHBondContact O-CG 3.4Å; D12-L16 PolarHBondContact O-N 2.79Å
13F86.8Confident89.2Confident22 Ų2233 Ų3310%0.09617%0.172CC..Hα-helixtrans-54.1-28.7-176.169.2-91.2000113.6D11 L16 L17 T100 F108 T159 L163D11-F13 VanDerWaalsContact C-N 3.33Å; D11-F13 PolarHBondContact O-N 2.98Å; F13-L16 PolarHBondContact O-N 2.88Å; F13-L17 PolarHBondContact O-N 3.4Å; F13-L17 VanDerWaalsContact O-N 3.07Å; F13-T100 HydrophobicContact CD2-CG2 4.44Å; F13-T100 HydrophobicContact CE2-CG2 3.36Å; F13-T100 HydrophobicContact CZ-CG2 3.41Å; F13-T100 VanDerWaalsContact CZ-CG2 3.41Å; F13-F108 HydrophobicContact CE1-CZ 4.23Å; F13-T159 HydrophobicContact CB-CG2 3.72Å; F13-T159 WeakPolarHBondContact O-CG2 3.38Å; F13-L163 HydrophobicContact CD1-CD1 4.23Å
14R88.8Confident89.2Confident137 Ų13732.6 Ų32.652%0.51717%0.169SC..Hα-helixtrans-65.5-44.8175.5-62.3-178.5-161.4-179.44.8111.8D12 A64D12-R14 PolarHBondContact O-N 2.84Å; R14-A64 HydrophobicContact CB-CB 4Å; R14-A64 WeakPolarHBondContact O-CB 3.49Å
15S91.9Very high88.8Confident3 Ų332.6 Ų32.62%0.02117%0.169CC..Hα-helixtrans-70-39.2173.9-650000112.2S7 D12 L17 A18 L19S7-S15 WeakPolarHBondContact CB-OG 3.44Å; S7-S15 PolarHBondContact N-OG 3.1Å; D12-S15 PolarHBondContact O-N 3.02Å; D12-S15 WeakPolarHBondContact OD2-CB 3.49Å; D12-S15 PolarHBondContact OD2-N 3.47Å; D12-S15 PolarHBondContact OD2-OG 3.24Å; S15-L17 VanDerWaalsContact C-N 3.31Å; S15-L17 PolarHBondContact O-N 2.95Å; S15-A18 PolarHBondContact O-N 2.71Å; S15-L19 VanDerWaalsContact O-CG 3.31Å; S15-L19 WeakPolarHBondContact O-CG 3.45Å; S15-L19 PolarHBondContact O-N 2.86Å
16L94.1Very high87.6Confident13 Ų1336.8 Ų36.87%0.06820%0.199CC..Hα-helixtrans-59.6-39.6178.5-65177.2000112.3D12 F13 A18 L19 I20 T159 L162 V196 L197D12-L16 WeakPolarHBondContact O-CG 3.4Å; D12-L16 PolarHBondContact O-N 2.79Å; F13-L16 PolarHBondContact O-N 2.88Å; L16-A18 PolarHBondContact O-N 2.85Å; L16-L19 HydrophobicContact CD2-CD1 4.49Å; L16-L19 PolarHBondContact O-N 3.44Å; L16-I20 WeakPolarHBondContact O-CB 3.39Å; L16-I20 WeakPolarHBondContact O-CD1 3.3Å; L16-I20 VanDerWaalsContact O-CG1 3.25Å; L16-I20 WeakPolarHBondContact O-CG1 3.49Å; L16-I20 PolarHBondContact O-N 3.24Å; L16-T159 HydrophobicContact CB-CG2 4.05Å; L16-L162 HydrophobicContact CD1-CD2 3.66Å; L16-V196 HydrophobicContact CD2-CG1 3.94Å; L16-L197 HydrophobicContact CB-CD2 4.33Å; L16-L197 HydrophobicContact CD1-CD2 3.81Å; L16-L197 HydrophobicContact CD2-CD2 4Å; L16-L197 HydrophobicContact CG-CD2 4.27Å
17L95.5Very high86.4Confident9 Ų941.8 Ų41.85%0.04724%0.235CC..Hα-helixtrans-59.5-46.6176.1175.956.4000111.7F13 S15 I20 A21 A64 A68 L152 M155 A156 T159F13-L17 PolarHBondContact O-N 3.4Å; F13-L17 VanDerWaalsContact O-N 3.07Å; S15-L17 VanDerWaalsContact C-N 3.31Å; S15-L17 PolarHBondContact O-N 2.95Å; L17-I20 PolarHBondContact O-N 3.13Å; L17-A21 WeakPolarHBondContact O-CB 3.34Å; L17-A21 PolarHBondContact O-N 3.37Å; L17-A64 HydrophobicContact CD2-CB 4.38Å; L17-A68 HydrophobicContact CD1-CB 4.32Å; L17-A68 HydrophobicContact CD2-CB 4.22Å; L17-A68 HydrophobicContact CG-CB 3.78Å; L17-L152 HydrophobicContact CD1-CD1 4.13Å; L17-M155 HydrophobicContact CD1-CB 3.68Å; L17-A156 HydrophobicContact CD1-CB 4.2Å; L17-A156 HydrophobicContact CD2-CB 4.13Å; L17-T159 HydrophobicContact CB-CG2 4.12Å
18A93.3Very high85.4Confident0 Ų043.2 Ų43.20%024%0.244CC..Hα-helixtrans-66.5-38.7178.700000112.3L4 S15 L16 A21 A22 P47 V67 L71L4-A18 HydrophobicContact CD1-CB 4.37Å; L4-A18 HydrophobicContact CD2-CB 4.27Å; S15-A18 PolarHBondContact O-N 2.71Å; L16-A18 PolarHBondContact O-N 2.85Å; A18-A21 PolarHBondContact O-N 2.94Å; A18-A22 WeakPolarHBondContact O-CB 3.47Å; A18-A22 PolarHBondContact O-N 3.17Å; A18-P47 HydrophobicContact CB-CB 3.99Å; A18-P47 HydrophobicContact CB-CG 3.81Å; A18-V67 HydrophobicContact CB-CG1 3.9Å; A18-L71 WeakPolarHBondContact O-CD1 3.31Å
19L93.8Very high85.4Confident29 Ų2940.8 Ų40.815%0.15223%0.229CC..Hα-helixtrans-65.7-44.2176.6-70.4169.2000112L4 V6 S15 L16 A22 E23 I32 V196L4-L19 HydrophobicContact CD2-CD2 4.24Å; V6-L19 HydrophobicContact CG1-CD1 4.46Å; V6-L19 HydrophobicContact CG1-CD2 4.09Å; V6-L19 HydrophobicContact CG1-CG 4.09Å; V6-L19 HydrophobicContact CG2-CD2 4.48Å; S15-L19 VanDerWaalsContact O-CG 3.31Å; S15-L19 WeakPolarHBondContact O-CG 3.45Å; S15-L19 PolarHBondContact O-N 2.86Å; L16-L19 HydrophobicContact CD2-CD1 4.49Å; L16-L19 PolarHBondContact O-N 3.44Å; L19-A22 WeakPolarHBondContact O-CB 3.34Å; L19-A22 PolarHBondContact O-N 3.11Å; L19-E23 PolarHBondContact O-N 3.41Å; L19-I32 HydrophobicContact CD2-CB 4.47Å; L19-I32 HydrophobicContact CD2-CD1 3.54Å; L19-I32 HydrophobicContact CD2-CG1 3.8Å; L19-I32 HydrophobicContact CD2-CG2 3.79Å; L19-V196 HydrophobicContact CB-CG1 3.61Å; L19-V196 HydrophobicContact CB-CG2 4.14Å; L19-V196 HydrophobicContact CD1-CG1 4.2Å
20I94.6Very high85.7Confident0 Ų036.3 Ų36.30%021%0.209CC..Hα-helixtrans-62.5-46.2175.5-68.9163.7000109.9L16 L17 A22 E23 F24 M155 F193 V196 L197L16-I20 WeakPolarHBondContact O-CB 3.39Å; L16-I20 WeakPolarHBondContact O-CD1 3.3Å; L16-I20 VanDerWaalsContact O-CG1 3.25Å; L16-I20 WeakPolarHBondContact O-CG1 3.49Å; L16-I20 PolarHBondContact O-N 3.24Å; L17-I20 PolarHBondContact O-N 3.13Å; I20-A22 VanDerWaalsContact C-N 3.27Å; I20-A22 PolarHBondContact O-N 3.36Å; I20-E23 PolarHBondContact O-N 3.15Å; I20-E23 VanDerWaalsContact O-N 3.16Å; I20-F24 HydrophobicContact CG2-CD2 4.37Å; I20-F24 HydrophobicContact CG2-CE2 4Å; I20-F24 VanDerWaalsContact O-CD2 3.27Å; I20-F24 WeakPolarHBondContact O-CD2 3.33Å; I20-M155 HydrophobicContact CG2-CB 4.37Å; I20-M155 HydrophobicContact CG2-CG 3.96Å; I20-M155 HydrophobicContact CG2-SD 4.16Å; I20-F193 HydrophobicContact CD1-CD1 3.8Å; I20-F193 HydrophobicContact CD1-CE1 3.86Å; I20-F193 HydrophobicContact CD1-CG 4.37Å; I20-F193 HydrophobicContact CD1-CZ 4.47Å; I20-F193 HydrophobicContact CG2-CD1 4.44Å; I20-F193 HydrophobicContact CG2-CD2 3.79Å; I20-F193 HydrophobicContact CG2-CE1 4.2Å; I20-F193 HydrophobicContact CG2-CE2 3.51Å; I20-F193 HydrophobicContact CG2-CG 4.26Å; I20-F193 HydrophobicContact CG2-CZ 3.76Å; I20-V196 HydrophobicContact CG1-CB 3.96Å; I20-V196 HydrophobicContact CG1-CG1 4Å; I20-V196 HydrophobicContact CG1-CG2 4.16Å; I20-L197 HydrophobicContact CD1-CD1 4.22Å; I20-L197 HydrophobicContact CD1-CD2 4.18Å; I20-L197 HydrophobicContact CD1-CG 4.19Å
21A94Very high86.2Confident0 Ų039.8 Ų39.80%021%0.209CC..Hα-helixtrans-60.6-36.7178.100000112.5L17 A18 E23 F24 A68 L71 L152 M155L17-A21 WeakPolarHBondContact O-CB 3.34Å; L17-A21 PolarHBondContact O-N 3.37Å; A18-A21 PolarHBondContact O-N 2.94Å; A21-E23 PolarHBondContact O-N 3.39Å; A21-F24 PolarHBondContact O-N 3.37Å; A21-A68 HydrophobicContact CB-CB 3.98Å; A21-L71 HydrophobicContact CB-CB 4Å; A21-L152 HydrophobicContact CB-CD1 4.45Å; A21-M155 HydrophobicContact CB-SD 4.19Å
22A92.5Very high86.7Confident1 Ų142.4 Ų42.41%0.00822%0.223CC..Hα-helixtrans-62.6-38175.800000112.9A18 L19 I20 F24 C25 P30 L71A18-A22 WeakPolarHBondContact O-CB 3.47Å; A18-A22 PolarHBondContact O-N 3.17Å; L19-A22 WeakPolarHBondContact O-CB 3.34Å; L19-A22 PolarHBondContact O-N 3.11Å; I20-A22 VanDerWaalsContact C-N 3.27Å; I20-A22 PolarHBondContact O-N 3.36Å; A22-F24 PolarHBondContact O-N 3.31Å; A22-C25 PolarHBondContact O-N 3.01Å; A22-P30 HydrophobicContact CB-CG 4.21Å; A22-L71 HydrophobicContact CB-CD1 4.1Å
23E93.3Very high86.8Confident39 Ų3941.9 Ų41.918%0.18222%0.22CC..Hα-helixtrans-66.2-22.4178.7-73.1-61.9153.700113.5L19 I20 A21 C25 Q192 K195 V196L19-E23 PolarHBondContact O-N 3.41Å; I20-E23 PolarHBondContact O-N 3.15Å; I20-E23 VanDerWaalsContact O-N 3.16Å; A21-E23 PolarHBondContact O-N 3.39Å; E23-C25 PolarHBondContact O-N 3.38Å; E23-Q192 HydrophobicContact CB-CB 3.82Å; E23-Q192 HydrophobicContact CB-CG 4.09Å; E23-K195 VanDerWaalsContact OE1-CE 3.3Å; E23-K195 WeakPolarHBondContact OE1-CE 3.45Å; E23-K195 IonicContact OE1-NZ 2.85Å; E23-K195 PolarHBondContact OE1-NZ 3.29Å; E23-K195 WeakPolarHBondContact OE2-CD 3.43Å; E23-K195 WeakPolarHBondContact OE2-CE 3.22Å; E23-K195 IonicContact OE2-NZ 2.71Å; E23-K195 PolarHBondContact OE2-NZ 3.15Å; E23-V196 HydrophobicContact CG-CG2 3.75Å
24F88.8Confident86.7Confident18 Ų1843.9 Ų43.98%0.07924%0.238CC..THydrogen-bonded Turntrans-84.85.8171.9-71.5-83.8000113.5I20 A21 A22 P26 G75 R77 L150 M155 Q192 F193I20-F24 HydrophobicContact CG2-CD2 4.37Å; I20-F24 HydrophobicContact CG2-CE2 4Å; I20-F24 VanDerWaalsContact O-CD2 3.27Å; I20-F24 WeakPolarHBondContact O-CD2 3.33Å; A21-F24 PolarHBondContact O-N 3.37Å; A22-F24 PolarHBondContact O-N 3.31Å; F24-P26 VanDerWaalsContact C-CD 3.44Å; F24-P26 WeakPolarHBondContact O-CD 3.49Å; F24-G75 WeakPolarHBondContact O-CA 3.44Å; F24-R77 HydrophobicContact CB-CG 4Å; F24-R77 HydrophobicContact CD1-CG 4.42Å; F24-R77 HydrophobicContact CG-CG 4.36Å; F24-L150 HydrophobicContact CE1-CD2 4.49Å; F24-L150 HydrophobicContact CE2-CD2 4.17Å; F24-L150 HydrophobicContact CZ-CD1 4.44Å; F24-L150 HydrophobicContact CZ-CD2 3.94Å; F24-M155 HydrophobicContact CB-CE 4.21Å; F24-M155 HydrophobicContact CD1-CE 4.38Å; F24-M155 HydrophobicContact CD2-CE 3.26Å; F24-M155 HydrophobicContact CD2-SD 4.13Å; F24-M155 HydrophobicContact CE2-CE 3.6Å; F24-M155 HydrophobicContact CE2-SD 4.45Å; F24-M155 HydrophobicContact CG-CE 3.7Å; F24-M155 HydrophobicContact CZ-CE 4.28Å; F24-Q192 HydrophobicContact CD1-CG 3.91Å; F24-Q192 HydrophobicContact CD2-CB 3.94Å; F24-Q192 HydrophobicContact CD2-CG 4.05Å; F24-Q192 HydrophobicContact CE1-CB 4.12Å; F24-Q192 HydrophobicContact CE1-CG 3.64Å; F24-Q192 HydrophobicContact CE2-CB 3.37Å; F24-Q192 HydrophobicContact CE2-CG 3.77Å; F24-Q192 HydrophobicContact CG-CG 4.12Å; F24-Q192 HydrophobicContact CZ-CB 3.48Å; F24-Q192 VanDerWaalsContact CZ-CB 3.48Å; F24-Q192 HydrophobicContact CZ-CG 3.57Å; F24-F193 HydrophobicContact CE2-CD2 4.18Å; F24-F193 AromaticContact CE2-CE2 3.99Å; F24-F193 HydrophobicContact CE2-CE2 3.99Å; F24-F193 HydrophobicContact CZ-CD2 4.39Å; F24-F193 HydrophobicContact CZ-CE2 4.31Å
25C83.7Confident86.3Confident1 Ų144.6 Ų44.61%0.00725%0.246CC..  trans-123.166.4179.5-1730000112.7A22 E23 S27 S28 C29 Q74A22-C25 PolarHBondContact O-N 3.01Å; E23-C25 PolarHBondContact O-N 3.38Å; C25-S27 VanDerWaalsContact C-N 3.31Å; C25-S27 PolarHBondContact O-N 3.34Å; C25-S28 CarbonylContact O-C 3.58Å; C25-S28 PolarHBondContact O-N 3.07Å; C25-C29 PolarHBondContact O-N 3.12Å; C25-C29 VanDerWaalsContact O-N 3.15Å; C25-Q74 VanDerWaalsContact SG-CB 3.51Å
26P66.1Low85.4Confident116 Ų11650 Ų5075%0.75328%0.276SS*.THydrogen-bonded Turntrans-66.4-24.4-170.720.2-27.5000115F24F24-P26 VanDerWaalsContact C-CD 3.44Å; F24-P26 WeakPolarHBondContact O-CD 3.49Å
27S65.8Low84.5Confident109 Ų10950.8 Ų50.876%0.76228%0.281SS*.THydrogen-bonded Turntrans-80-15.1178.751.70000114.4C25C25-S27 VanDerWaalsContact C-N 3.31Å; C25-S27 PolarHBondContact O-N 3.34Å
28S66.1Low83.5Confident59 Ų5953.3 Ų53.341%0.41330%0.298SS..SBendtrans-142.630.2-171.5-37.10000112.1C25 P30C25-S28 CarbonylContact O-C 3.58Å; C25-S28 PolarHBondContact O-N 3.07Å; S28-P30 WeakPolarHBondContact O-CD 3.5Å
29C78.3Confident82.4Confident43 Ų4357.9 Ų57.929%0.29134%0.336SS..PPolyproline II helixtrans-62.6120.4-176.1-169.90000110.1C25C25-C29 PolarHBondContact O-N 3.12Å; C25-C29 VanDerWaalsContact O-N 3.15Å
30P87Confident81.1Confident6 Ų661.5 Ų61.54%0.03936%0.363CS..PPolyproline II helixtrans-70.6151.7-178.429.6-35000111.2A2 L4 A22 S28 I32 L49 L71A2-P30 HydrophobicContact CB-CB 4.15Å; A2-P30 CarbonylContact O-C 3.44Å; A2-P30 WeakPolarHBondContact O-CA 3.49Å; A2-P30 WeakPolarHBondContact O-CB 3.44Å; L4-P30 HydrophobicContact CB-CB 3.84Å; L4-P30 HydrophobicContact CB-CG 3.75Å; L4-P30 HydrophobicContact CD2-CG 4.15Å; A22-P30 HydrophobicContact CB-CG 4.21Å; S28-P30 WeakPolarHBondContact O-CD 3.5Å; P30-I32 PolarHBondContact O-N 2.95Å; P30-L49 HydrophobicContact CB-CD1 3.62Å; P30-L49 HydrophobicContact CG-CD1 4.02Å; P30-L71 HydrophobicContact CG-CD2 4.08Å
31R88.4Confident79.8Confident172 Ų17262.4 Ų62.465%0.64937%0.368SS*.EExtended strand (participates in β ladder)trans-66.2117.5169.5-179.9179.6176.3174.4-1.7108.9A2 T3 L4 V33A2-R31 PolarHBondContact O-N 2.78Å; T3-R31 CarbonylContact C-O 3.54Å; T3-R31 WeakPolarHBondContact CA-O 3.43Å; T3-R31 WeakPolarHBondContact CG2-O 3.46Å; L4-R31 PolarHBondContact N-O 3.41Å; R31-V33 HydrophobicContact CG-CG2 4.3Å
32I90.5Very high78.5Confident78 Ų7869.2 Ų69.240%0.441%0.405SS..EExtended strand (participates in β ladder)trans-82.4131180-60.5159.9000109.7L4 V6 L19 P30L4-I32 WeakPolarHBondContact O-CA 3.15Å; V6-I32 HydrophobicContact CG2-CG2 3.73Å; L19-I32 HydrophobicContact CD2-CB 4.47Å; L19-I32 HydrophobicContact CD2-CD1 3.54Å; L19-I32 HydrophobicContact CD2-CG1 3.8Å; L19-I32 HydrophobicContact CD2-CG2 3.79Å; P30-I32 PolarHBondContact O-N 2.95Å
33V89.1Confident77.4Confident24 Ų2470.7 Ų70.715%0.14542%0.417CS..EExtended strand (participates in β ladder)trans-134.1127179.3178.60000109.1T3 L4 Y5 V6 R31 E35T3-V33 HydrophobicContact CG2-CB 4.25Å; T3-V33 HydrophobicContact CG2-CG2 3.57Å; L4-V33 PolarHBondContact O-N 3.36Å; Y5-V33 CarbonylContact C-O 3.41Å; Y5-V33 VanDerWaalsContact CA-O 3.29Å; Y5-V33 WeakPolarHBondContact CA-O 3.39Å; Y5-V33 HydrophobicContact CD1-CB 3.94Å; Y5-V33 HydrophobicContact CD1-CG1 3.89Å; Y5-V33 HydrophobicContact CE1-CB 4.11Å; Y5-V33 HydrophobicContact CE1-CG1 3.92Å; V6-V33 PolarHBondContact N-O 3.03Å; R31-V33 HydrophobicContact CG-CG2 4.3Å; V33-E35 HydrophobicContact CG1-CB 3.77Å; V33-E35 HydrophobicContact CG1-CG 4.33Å
34S84.4Confident76Confident65 Ų6579.7 Ų79.746%0.45545%0.449SS..  trans-92.9-6.1177.8-46.20000113.3R46S34-R46 PolarHBondContact O-NH2 2.75Å
35E81.3Confident75.4Confident151 Ų15181.5 Ų81.571%0.70646%0.464SS*.SBendtrans-73.5162.1172.9-62.3175.3-175.700111V33 R46V33-E35 HydrophobicContact CG1-CB 3.77Å; V33-E35 HydrophobicContact CG1-CG 4.33Å; E35-R46 PolarHBondContact O-NH2 3.47Å
36D73.4Confident75.2Confident118 Ų11884.8 Ų84.863%0.63148%0.477SS*.PPolyproline II helixtrans-66138.5177.4-73.2-57000110.7R46D36-R46 IonicContact OD1-CZ 2.83Å; D36-R46 IonicContact OD1-NE 3.66Å; D36-R46 IonicContact OD1-NH1 2.7Å; D36-R46 PolarHBondContact OD1-NH1 3.23Å; D36-R46 IonicContact OD1-NH2 2.87Å; D36-R46 PolarHBondContact OD1-NH2 2.78Å
37P75.1Confident76.4Confident28 Ų2879.3 Ų79.318%0.18244%0.441CS..PPolyproline II helixtrans-59.5136.3173.124.6-31000109.2Y5 A39 L41 A43Y5-P37 HydrophobicContact CD1-CB 3.94Å; Y5-P37 HydrophobicContact CD2-CB 3.87Å; Y5-P37 HydrophobicContact CE1-CB 4.22Å; Y5-P37 HydrophobicContact CE2-CB 4.14Å; Y5-P37 HydrophobicContact CG-CB 3.75Å; Y5-P37 HydrophobicContact CG-CG 4.45Å; P37-A39 PolarHBondContact O-N 2.95Å; P37-L41 HydrophobicContact CB-CD1 4.3Å; P37-A43 HydrophobicContact CB-CB 4.15Å; P37-A43 HydrophobicContact CG-CB 3.8Å
38P74.4Confident77.6Confident63 Ų6374.1 Ų74.141%0.40941%0.405SS..PPolyproline II helixtrans-47.7136.4172.8-28.830.5000111.7Y5 S40 L41Y5-P38 WeakPolarHBondContact OH-CD 3.32Å; P38-S40 PolarHBondContact O-N 2.78Å; P38-L41 HydrophobicContact CB-CD1 4.41Å; P38-L41 HydrophobicContact CB-CG 4.5Å; P38-L41 HydrophobicContact CG-CD1 4.2Å; P38-L41 WeakPolarHBondContact O-CB 3.47Å; P38-L41 PolarHBondContact O-N 3.05Å
39A69.1Low78.7Confident96 Ų9671.4 Ų71.479%0.79339%0.385SS*.G310 helixtrans-54.4-29.2-178.400000112.9P37 L41 N42P37-A39 PolarHBondContact O-N 2.95Å; A39-L41 PolarHBondContact O-N 3.28Å; A39-L41 VanDerWaalsContact O-N 3.15Å; A39-N42 PolarHBondContact O-N 3.15Å
40S66.4Low79.2Confident104 Ų10469.8 Ų69.873%0.72738%0.375SS*.G310 helixtrans-60.3-18.9175.658.20000114.9P38P38-S40 PolarHBondContact O-N 2.78Å
41L68.1Low79Confident20 Ų2070.8 Ų70.811%0.10538%0.38CS..G310 helixtrans-84.9-5.7-178.7-71.2173.9000113.8Y5 P37 P38 A39 A43 A50 D58 V60Y5-L41 HydrophobicContact CE2-CD1 3.68Å; P37-L41 HydrophobicContact CB-CD1 4.3Å; P38-L41 HydrophobicContact CB-CD1 4.41Å; P38-L41 HydrophobicContact CB-CG 4.5Å; P38-L41 HydrophobicContact CG-CD1 4.2Å; P38-L41 WeakPolarHBondContact O-CB 3.47Å; P38-L41 PolarHBondContact O-N 3.05Å; A39-L41 PolarHBondContact O-N 3.28Å; A39-L41 VanDerWaalsContact O-N 3.15Å; L41-A43 PolarHBondContact O-N 2.92Å; L41-A50 HydrophobicContact CD1-CB 4.22Å; L41-A50 HydrophobicContact CD2-CB 4.23Å; L41-D58 HydrophobicContact CD2-CB 4.23Å; L41-V60 HydrophobicContact CB-CG2 4.02Å; L41-V60 HydrophobicContact CD2-CG2 3.84Å; L41-V60 HydrophobicContact CG-CG2 4.47Å; L41-V60 WeakPolarHBondContact O-CG2 3.44Å
42N67.2Low78Confident142 Ų14266.2 Ų66.276%0.75937%0.371SS*.  trans48.635.5179.9-79.3-27.3000114.5A39 R44A39-N42 PolarHBondContact O-N 3.15Å; N42-R44 PolarHBondContact O-N 3.15Å
43A68.9Low76Confident33 Ų3366.4 Ų66.427%0.27338%0.384SS..  trans-69.8115.6-179.200000110.9P37 L41 S45 A48 V60P37-A43 HydrophobicContact CB-CB 4.15Å; P37-A43 HydrophobicContact CG-CB 3.8Å; L41-A43 PolarHBondContact O-N 2.92Å; A43-S45 VanDerWaalsContact C-N 3.35Å; A43-S45 PolarHBondContact O-N 3.22Å; A43-A48 HydrophobicContact CB-CB 3.85Å; A43-V60 HydrophobicContact CB-CG1 4.2Å
44R64.2Low73.9Confident228 Ų22870.7 Ų70.786%0.8642%0.422SS*.  trans-73.2-23.1-176.3-61-178.8179.9-176.5-0.7114.1N42N42-R44 PolarHBondContact O-N 3.15Å
45S75.8Confident72Confident56 Ų5671.2 Ų71.239%0.39244%0.439SS..SBendtrans-166.6161.5-179.259.70000111.7A43A43-S45 VanDerWaalsContact C-N 3.35Å; A43-S45 PolarHBondContact O-N 3.22Å
46R79.9Confident70.1Confident70 Ų7071.4 Ų71.426%0.26444%0.444SS..SBendtrans-93.6145168.9-77.4172.6158162.7-13.8110.8S34 E35 D36S34-R46 PolarHBondContact O-NH2 2.75Å; E35-R46 PolarHBondContact O-NH2 3.47Å; D36-R46 IonicContact OD1-CZ 2.83Å; D36-R46 IonicContact OD1-NE 3.66Å; D36-R46 IonicContact OD1-NH1 2.7Å; D36-R46 PolarHBondContact OD1-NH1 3.23Å; D36-R46 IonicContact OD1-NH2 2.87Å; D36-R46 PolarHBondContact OD1-NH2 2.78Å
47P90.8Very high69.1Low0 Ų069.1 Ų69.10%045%0.449CS..SBendcis-70.5151.8-4.231.2-37.2000112.4L4 Y5 V6 A18 G63 A64L4-P47 HydrophobicContact CD1-CB 4.26Å; Y5-P47 CarbonylContact O-C 3.5Å; Y5-P47 VanDerWaalsContact O-CA 3.26Å; Y5-P47 WeakPolarHBondContact O-CA 3.17Å; V6-P47 HydrophobicContact CG1-CB 4.23Å; A18-P47 HydrophobicContact CB-CB 3.99Å; A18-P47 HydrophobicContact CB-CG 3.81Å; P47-G63 PolarHBondContact O-N 2.98Å; P47-A64 HydrophobicContact CG-CB 4.1Å
48A90.6Very high68.3Low1 Ų173.4 Ų73.41%0.00847%0.47CS..EExtended strand (participates in β ladder)trans-131.5133.6177.600000111.3L4 Y5 A43 V60 L61L4-A48 CarbonylContact C-O 3.58Å; L4-A48 WeakPolarHBondContact CA-O 3.35Å; Y5-A48 PolarHBondContact N-O 2.72Å; Y5-A48 PolarHBondContact O-N 3.03Å; A43-A48 HydrophobicContact CB-CB 3.85Å; A48-V60 HydrophobicContact CB-CG1 4.38Å; A48-L61 CarbonylContact C-O 3.59Å; A48-L61 VanDerWaalsContact CA-O 3.29Å; A48-L61 WeakPolarHBondContact CA-O 3.45Å
49L90.6Very high68.3Low1 Ų173.6 Ų73.61%0.00547%0.473CS..EExtended strand (participates in β ladder)trans-113.1112.6-180-17768.7000109.7A2 T3 L4 P30 L51 V60 L61 V67 Y70 L71A2-L49 HydrophobicContact CB-CD1 3.95Å; A2-L49 HydrophobicContact CB-CG 4.49Å; T3-L49 WeakPolarHBondContact O-CA 3.32Å; L4-L49 HydrophobicContact CB-CD1 3.91Å; L4-L49 HydrophobicContact CD1-CB 4.22Å; L4-L49 HydrophobicContact CD1-CD1 4.25Å; P30-L49 HydrophobicContact CB-CD1 3.62Å; P30-L49 HydrophobicContact CG-CD1 4.02Å; L49-L51 HydrophobicContact CD2-CD2 3.71Å; L49-L51 HydrophobicContact CG-CD2 3.89Å; L49-V60 WeakPolarHBondContact O-CA 3.33Å; L49-L61 HydrophobicContact CB-CB 4.44Å; L49-L61 PolarHBondContact N-O 3.39Å; L49-L61 PolarHBondContact O-N 3.29Å; L49-V67 HydrophobicContact CB-CG1 3.98Å; L49-V67 HydrophobicContact CB-CG2 4.06Å; L49-V67 HydrophobicContact CD2-CG1 4.48Å; L49-Y70 HydrophobicContact CD2-CD1 3.59Å; L49-Y70 HydrophobicContact CD2-CE1 3.97Å; L49-Y70 HydrophobicContact CD2-CG 4.48Å; L49-L71 HydrophobicContact CD2-CD2 4.1Å; L49-L71 HydrophobicContact CD2-CG 4.3Å
50A87.8Confident69Low9 Ų970.9 Ų70.97%0.07445%0.446CS..EExtended strand (participates in β ladder)trans-86114.4172.600000109.6A2 T3 Y5 L41 V60A2-A50 CarbonylContact C-O 3.16Å; A2-A50 WeakPolarHBondContact CA-O 3.49Å; A2-A50 WeakPolarHBondContact CB-O 3.4Å; T3-A50 PolarHBondContact N-O 3.28Å; T3-A50 PolarHBondContact O-N 2.86Å; Y5-A50 HydrophobicContact CE2-CB 4.12Å; L41-A50 HydrophobicContact CD1-CB 4.22Å; L41-A50 HydrophobicContact CD2-CB 4.23Å; A50-V60 HydrophobicContact CB-CG2 4.41Å
51L84Confident70Confident27 Ų2768.5 Ų68.514%0.14143%0.425CS..EExtended strand (participates in β ladder)trans-89.9114.4-179.2-59.7175.7000109.2A2 L49 S59 L61 Y70A2-L51 HydrophobicContact CB-CD2 4.19Å; L49-L51 HydrophobicContact CD2-CD2 3.71Å; L49-L51 HydrophobicContact CG-CD2 3.89Å; L51-S59 WeakPolarHBondContact CB-O 3.37Å; L51-S59 PolarHBondContact N-O 3.3Å; L51-L61 HydrophobicContact CD1-CD1 4.06Å; L51-L61 HydrophobicContact CD1-CG 4.23Å; L51-Y70 HydrophobicContact CD1-CE2 4.13Å; L51-Y70 HydrophobicContact CD2-CD1 4.3Å; L51-Y70 HydrophobicContact CD2-CE1 3.55Å
52T66.1Low70.9Confident76 Ų7669.2 Ų69.247%0.46643%0.432SS..  trans-97.1100.9172.142.10000109.3M1M1-T52 WeakPolarHBondContact CA-OG1 3.33Å; M1-T52 PolarHBondContact N-OG1 3.34Å; M1-T52 PolarHBondContact O-OG1 3.49Å
53A49.4Very low71.9Confident82 Ų8263.3 Ų63.368%0.67840%0.404SS*.  trans-128132.416700000109.2G55A53-G55 PolarHBondContact O-N 3.16Å
54A44.4Very low72.9Confident114 Ų11462.4 Ų62.494%0.94240%0.397SS*.THydrogen-bonded Turntrans-56.6122.4-17200000112.9
55G44Very low74.2Confident77 Ų7752.5 Ų52.579%0.79436%0.363SS*.THydrogen-bonded Turntrans123.6-23.1154.900000117.7A53A53-G55 PolarHBondContact O-N 3.16Å
56D42.5Very low74.9Confident155 Ų15552.1 Ų52.183%0.82936%0.363SS*.SBendtrans-141144.1177.4-88.2-37.7000109.5
57G53Low75.5Confident70 Ų7048.8 Ų48.872%0.72235%0.35SS*.  trans-43.5153.8-159.900000118.7S59G57-S59 PolarHBondContact O-N 3.23Å
58D58.3Low75.6Confident118 Ų11848.8 Ų48.863%0.63135%0.35SS*.  trans-48.8102.7-178.2-72.4-29.8000112.1L41L41-D58 HydrophobicContact CD2-CB 4.23Å
59S72.9Confident75.8Confident66 Ų6651 Ų5146%0.46236%0.358SS..EExtended strand (participates in β ladder)trans-88.9127176.360.30000110.2L51 G57L51-S59 WeakPolarHBondContact CB-O 3.37Å; L51-S59 PolarHBondContact N-O 3.3Å; G57-S59 PolarHBondContact O-N 3.23Å
60V85Confident75.9Confident40 Ų4054.9 Ų54.924%0.24237%0.373CS..EExtended strand (participates in β ladder)trans-118.4122.9-175.5179.40000109.8L41 A43 A48 L49 A50L41-V60 HydrophobicContact CB-CG2 4.02Å; L41-V60 HydrophobicContact CD2-CG2 3.84Å; L41-V60 HydrophobicContact CG-CG2 4.47Å; L41-V60 WeakPolarHBondContact O-CG2 3.44Å; A43-V60 HydrophobicContact CB-CG1 4.2Å; A48-V60 HydrophobicContact CB-CG1 4.38Å; L49-V60 WeakPolarHBondContact O-CA 3.33Å; A50-V60 HydrophobicContact CB-CG2 4.41Å
61L87.6Confident76.1Confident54 Ų5454.6 Ų54.628%0.28337%0.371SS..EExtended strand (participates in β ladder)trans-93.6126.8169.6-64.2176.6000108.8A48 L49 L51 V67 Y70A48-L61 CarbonylContact C-O 3.59Å; A48-L61 VanDerWaalsContact CA-O 3.29Å; A48-L61 WeakPolarHBondContact CA-O 3.45Å; L49-L61 HydrophobicContact CB-CB 4.44Å; L49-L61 PolarHBondContact N-O 3.39Å; L49-L61 PolarHBondContact O-N 3.29Å; L51-L61 HydrophobicContact CD1-CD1 4.06Å; L51-L61 HydrophobicContact CD1-CG 4.23Å; L61-V67 HydrophobicContact CB-CG2 4.1Å; L61-V67 WeakPolarHBondContact O-CG2 3.29Å; L61-Y70 HydrophobicContact CD1-CD1 4.31Å; L61-Y70 HydrophobicContact CD1-CD2 3.74Å; L61-Y70 HydrophobicContact CD1-CE2 4.48Å; L61-Y70 HydrophobicContact CD1-CG 3.64Å
62S85.6Confident76.5Confident35 Ų3553.3 Ų53.325%0.24536%0.364CS..EExtended strand (participates in β ladder)trans-123.3141.6178.762.80000111.6
63G87.9Confident77.7Confident17 Ų1755 Ų5518%0.17537%0.365CS..SBendtrans103.8140.1179.700000112.5P47 S65 A66 V67P47-G63 PolarHBondContact O-N 2.98Å; G63-S65 PolarHBondContact O-N 3.33Å; G63-A66 PolarHBondContact O-N 3.45Å; G63-V67 WeakPolarHBondContact O-CB 3.26Å; G63-V67 WeakPolarHBondContact O-CG2 3.42Å; G63-V67 PolarHBondContact O-N 2.76Å
64A90.4Very high79.5Confident15 Ų1555.1 Ų55.112%0.12435%0.352CS..Hα-helixtrans-56-49.1-171.200000113.1R14 L17 P47 A68R14-A64 HydrophobicContact CB-CB 4Å; R14-A64 WeakPolarHBondContact O-CB 3.49Å; L17-A64 HydrophobicContact CD2-CB 4.38Å; P47-A64 HydrophobicContact CG-CB 4.1Å; A64-A68 WeakPolarHBondContact O-CB 3.46Å; A64-A68 PolarHBondContact O-N 3.15Å
65S91.4Very high81.6Confident20 Ų2050.4 Ų50.414%0.1431%0.314CS..Hα-helixtrans-67-41.3-176.8-52.90000112.4G63 W69 D96G63-S65 PolarHBondContact O-N 3.33Å; S65-W69 WeakPolarHBondContact O-CB 3.38Å; S65-W69 PolarHBondContact O-N 3.41Å; S65-D96 PolarHBondContact OG-OD2 3.31Å
66A90.8Very high83.8Confident47 Ų4755.3 Ų55.339%0.38831%0.313SS..Hα-helixtrans-69-44.6178.500000112.3G63 Y70G63-A66 PolarHBondContact O-N 3.45Å; A66-Y70 PolarHBondContact O-N 3.23Å; A66-Y70 VanDerWaalsContact O-N 3.11Å
67V92.3Very high86.3Confident0 Ų051.9 Ų51.90%029%0.289CS..Hα-helixtrans-65.8-47.2177.7171.20000110.9L4 A18 L49 L61 G63 W69 Y70 L71L4-V67 HydrophobicContact CD1-CG1 3.65Å; A18-V67 HydrophobicContact CB-CG1 3.9Å; L49-V67 HydrophobicContact CB-CG1 3.98Å; L49-V67 HydrophobicContact CB-CG2 4.06Å; L49-V67 HydrophobicContact CD2-CG1 4.48Å; L61-V67 HydrophobicContact CB-CG2 4.1Å; L61-V67 WeakPolarHBondContact O-CG2 3.29Å; G63-V67 WeakPolarHBondContact O-CB 3.26Å; G63-V67 WeakPolarHBondContact O-CG2 3.42Å; G63-V67 PolarHBondContact O-N 2.76Å; V67-W69 VanDerWaalsContact C-N 3.35Å; V67-W69 PolarHBondContact O-N 2.95Å; V67-Y70 PolarHBondContact O-N 2.86Å; V67-L71 HydrophobicContact CG1-CD1 3.83Å; V67-L71 WeakPolarHBondContact O-CG 3.42Å; V67-L71 PolarHBondContact O-N 3.39Å
68A94.2Very high88.1Confident0 Ų048.6 Ų48.60%026%0.255CS..Hα-helixtrans-68.5-34.1-18000000112.1L17 A21 A64 L71 A72 L152L17-A68 HydrophobicContact CD1-CB 4.32Å; L17-A68 HydrophobicContact CD2-CB 4.22Å; L17-A68 HydrophobicContact CG-CB 3.78Å; A21-A68 HydrophobicContact CB-CB 3.98Å; A64-A68 WeakPolarHBondContact O-CB 3.46Å; A64-A68 PolarHBondContact O-N 3.15Å; A68-L71 PolarHBondContact O-N 2.89Å; A68-A72 WeakPolarHBondContact O-CB 3.25Å; A68-A72 PolarHBondContact O-N 2.81Å; A68-L152 HydrophobicContact CB-CD1 3.7Å
69W94.6Very high89.6Confident48 Ų4843.7 Ų43.718%0.18223%0.232CC..Hα-helixtrans-58.8-50170.8-177.4-88000111.6S65 V67 L71 A72 F73 A78 Q85 V88 W89 L92 L152S65-W69 WeakPolarHBondContact O-CB 3.38Å; S65-W69 PolarHBondContact O-N 3.41Å; V67-W69 VanDerWaalsContact C-N 3.35Å; V67-W69 PolarHBondContact O-N 2.95Å; W69-L71 PolarHBondContact O-N 3.19Å; W69-A72 PolarHBondContact O-N 3.2Å; W69-F73 VanDerWaalsContact O-CB 3.23Å; W69-F73 WeakPolarHBondContact O-CB 3.34Å; W69-F73 PolarHBondContact O-N 3.06Å; W69-A78 HydrophobicContact CH2-CB 4.27Å; W69-A78 HydrophobicContact CZ2-CB 4.31Å; W69-Q85 HydrophobicContact CH2-CB 4.37Å; W69-V88 HydrophobicContact CE3-CG1 4.39Å; W69-V88 HydrophobicContact CZ3-CB 4.28Å; W69-V88 HydrophobicContact CZ3-CG1 3.71Å; W69-W89 AromaticContact CD2-CE2 3.94Å; W69-W89 AromaticContact CD2-CZ2 3.82Å; W69-W89 HydrophobicContact CD2-CZ2 3.82Å; W69-W89 AromaticContact CD2-NE1 3.88Å; W69-W89 AromaticContact CE2-NE1 3.68Å; W69-W89 HydrophobicContact CE3-CD2 4.23Å; W69-W89 AromaticContact CE3-CE2 3.63Å; W69-W89 AromaticContact CE3-CZ2 3.87Å; W69-W89 HydrophobicContact CE3-CZ2 3.87Å; W69-W89 AromaticContact CE3-NE1 3.61Å; W69-W89 HydrophobicContact CG-CZ2 4.21Å; W69-W89 AromaticContact CH2-CD1 3.21Å; W69-W89 AromaticContact CH2-CE2 3.94Å; W69-W89 HydrophobicContact CH2-CG 4.16Å; W69-W89 AromaticContact CH2-NE1 3.04Å; W69-W89 AromaticContact CZ2-CD1 3.91Å; W69-W89 AromaticContact CZ2-NE1 3.29Å; W69-W89 VanDerWaalsContact CZ2-NE1 3.29Å; W69-W89 AromaticContact CZ3-CD1 3.34Å; W69-W89 HydrophobicContact CZ3-CD2 4.02Å; W69-W89 AromaticContact CZ3-CE2 3.63Å; W69-W89 AromaticContact CZ3-CG 3.86Å; W69-W89 HydrophobicContact CZ3-CG 3.86Å; W69-W89 HydrophobicContact CZ3-CZ2 4.33Å; W69-W89 AromaticContact CZ3-NE1 3.18Å; W69-L92 HydrophobicContact CE3-CD2 4.31Å; W69-L152 HydrophobicContact CB-CD2 4.15Å; W69-L152 HydrophobicContact CE3-CD2 3.87Å
70Y92.4Very high90.4Very high83 Ų8346.1 Ų46.133%0.32524%0.244SC..Hα-helixtrans-58.2-49.1177.8-178.7-91.9000111.7L49 L51 L61 A66 V67 F73 Q74L49-Y70 HydrophobicContact CD2-CD1 3.59Å; L49-Y70 HydrophobicContact CD2-CE1 3.97Å; L49-Y70 HydrophobicContact CD2-CG 4.48Å; L51-Y70 HydrophobicContact CD1-CE2 4.13Å; L51-Y70 HydrophobicContact CD2-CD1 4.3Å; L51-Y70 HydrophobicContact CD2-CE1 3.55Å; L61-Y70 HydrophobicContact CD1-CD1 4.31Å; L61-Y70 HydrophobicContact CD1-CD2 3.74Å; L61-Y70 HydrophobicContact CD1-CE2 4.48Å; L61-Y70 HydrophobicContact CD1-CG 3.64Å; A66-Y70 PolarHBondContact O-N 3.23Å; A66-Y70 VanDerWaalsContact O-N 3.11Å; V67-Y70 PolarHBondContact O-N 2.86Å; Y70-F73 PolarHBondContact O-N 2.92Å; Y70-Q74 HydrophobicContact CD1-CG 4.45Å; Y70-Q74 HydrophobicContact CE1-CG 4.15Å; Y70-Q74 WeakPolarHBondContact O-CG 3.37Å; Y70-Q74 PolarHBondContact O-N 3.25Å; Y70-Q74 VanDerWaalsContact O-N 3.12Å
71L92.2Very high90.7Very high3 Ų347.6 Ų47.62%0.01625%0.25CS..Hα-helixtrans-65.8-43.8-179-67.1168.4000112.6L4 A18 A21 A22 P30 L49 V67 A68 W69 F73 Q74 G75L4-L71 HydrophobicContact CD2-CD1 4.46Å; A18-L71 WeakPolarHBondContact O-CD1 3.31Å; A21-L71 HydrophobicContact CB-CB 4Å; A22-L71 HydrophobicContact CB-CD1 4.1Å; P30-L71 HydrophobicContact CG-CD2 4.08Å; L49-L71 HydrophobicContact CD2-CD2 4.1Å; L49-L71 HydrophobicContact CD2-CG 4.3Å; V67-L71 HydrophobicContact CG1-CD1 3.83Å; V67-L71 WeakPolarHBondContact O-CG 3.42Å; V67-L71 PolarHBondContact O-N 3.39Å; A68-L71 PolarHBondContact O-N 2.89Å; W69-L71 PolarHBondContact O-N 3.19Å; L71-F73 VanDerWaalsContact C-N 3.32Å; L71-F73 PolarHBondContact O-N 2.87Å; L71-Q74 PolarHBondContact O-N 2.7Å; L71-G75 PolarHBondContact O-N 3.01Å
72A92.3Very high90.8Very high0 Ų049.3 Ų49.30%027%0.267CS..Hα-helixtrans-67.8-33.3177.500000112.2A68 W69 G75 K76 R77 A78 L152A68-A72 WeakPolarHBondContact O-CB 3.25Å; A68-A72 PolarHBondContact O-N 2.81Å; W69-A72 PolarHBondContact O-N 3.2Å; A72-G75 CarbonylContact O-C 3.35Å; A72-G75 PolarHBondContact O-N 2.77Å; A72-K76 PolarHBondContact O-N 3.37Å; A72-K76 VanDerWaalsContact O-N 3.14Å; A72-R77 HydrophobicContact CB-CB 4.04Å; A72-R77 WeakPolarHBondContact O-CA 3.49Å; A72-R77 PolarHBondContact O-N 3.41Å; A72-A78 PolarHBondContact O-N 3.09Å; A72-L152 HydrophobicContact CB-CB 3.78Å; A72-L152 HydrophobicContact CB-CD1 3.98Å; A72-L152 HydrophobicContact CB-CD2 3.97Å; A72-L152 HydrophobicContact CB-CG 4.12Å
73F90.1Very high91.1Very high111 Ų11154.8 Ų54.849%0.48729%0.286SS..Hα-helixtrans-63.6-45.7174.2-168.5-91.5000111W69 Y70 L71 G75 K76 A78W69-F73 VanDerWaalsContact O-CB 3.23Å; W69-F73 WeakPolarHBondContact O-CB 3.34Å; W69-F73 PolarHBondContact O-N 3.06Å; Y70-F73 PolarHBondContact O-N 2.92Å; L71-F73 VanDerWaalsContact C-N 3.32Å; L71-F73 PolarHBondContact O-N 2.87Å; F73-G75 VanDerWaalsContact C-N 3.28Å; F73-G75 PolarHBondContact O-N 2.87Å; F73-K76 PolarHBondContact O-N 2.86Å; F73-K76 VanDerWaalsContact O-N 3.09Å; F73-A78 HydrophobicContact CB-CB 4.18Å; F73-A78 HydrophobicContact CD2-CB 3.93Å
74Q88Confident91.5Very high85 Ų8555.9 Ų55.940%0.39729%0.286SS..Hα-helixtrans-60-38174-64.3-66.7-25.100112.1C25 Y70 L71 K76C25-Q74 VanDerWaalsContact SG-CB 3.51Å; Y70-Q74 HydrophobicContact CD1-CG 4.45Å; Y70-Q74 HydrophobicContact CE1-CG 4.15Å; Y70-Q74 WeakPolarHBondContact O-CG 3.37Å; Y70-Q74 PolarHBondContact O-N 3.25Å; Y70-Q74 VanDerWaalsContact O-N 3.12Å; L71-Q74 PolarHBondContact O-N 2.7Å; Q74-K76 VanDerWaalsContact C-N 3.29Å; Q74-K76 PolarHBondContact O-N 3.17Å
75G87.8Confident91.7Very high14 Ų1457.9 Ų57.914%0.14429%0.293CS..THydrogen-bonded Turntrans-78.73.5175.600000115.9F24 L71 A72 F73 R77F24-G75 WeakPolarHBondContact O-CA 3.44Å; L71-G75 PolarHBondContact O-N 3.01Å; A72-G75 CarbonylContact O-C 3.35Å; A72-G75 PolarHBondContact O-N 2.77Å; F73-G75 VanDerWaalsContact C-N 3.28Å; F73-G75 PolarHBondContact O-N 2.87Å; G75-R77 VanDerWaalsContact C-N 3.3Å; G75-R77 PolarHBondContact O-N 2.83Å
76K90.7Very high91.7Very high181 Ų18160.8 Ų60.879%0.78731%0.314SS*.THydrogen-bonded Turntrans53.443.6-172.3-57-177.5-179.5-179.70113.1A72 F73 Q74A72-K76 PolarHBondContact O-N 3.37Å; A72-K76 VanDerWaalsContact O-N 3.14Å; F73-K76 PolarHBondContact O-N 2.86Å; F73-K76 VanDerWaalsContact O-N 3.09Å; Q74-K76 VanDerWaalsContact C-N 3.29Å; Q74-K76 PolarHBondContact O-N 3.17Å
77R94.3Very high91.9Very high82 Ų8260.9 Ų60.931%0.30931%0.306SS..  trans-1185.1179-64.4-68.9176.6-107.67.1113.5F24 A72 G75 G79 L150 T151 L152 M155F24-R77 HydrophobicContact CB-CG 4Å; F24-R77 HydrophobicContact CD1-CG 4.42Å; F24-R77 HydrophobicContact CG-CG 4.36Å; A72-R77 HydrophobicContact CB-CB 4.04Å; A72-R77 WeakPolarHBondContact O-CA 3.49Å; A72-R77 PolarHBondContact O-N 3.41Å; G75-R77 VanDerWaalsContact C-N 3.3Å; G75-R77 PolarHBondContact O-N 2.83Å; R77-G79 VanDerWaalsContact C-N 3.32Å; R77-L150 WeakPolarHBondContact CD-O 3.27Å; R77-T151 CarbonylContact O-C 3.58Å; R77-T151 WeakPolarHBondContact O-CA 3.27Å; R77-T151 WeakPolarHBondContact O-CB 3.45Å; R77-L152 PolarHBondContact O-N 2.95Å; R77-M155 HydrophobicContact CB-CE 4.06Å; R77-M155 HydrophobicContact CG-CE 4.13Å
78A92Very high92.1Very high2 Ų260.9 Ų60.92%0.01731%0.306CS..SBendtrans-87.88.4176.500000114.2W69 A72 F73 Q85W69-A78 HydrophobicContact CH2-CB 4.27Å; W69-A78 HydrophobicContact CZ2-CB 4.31Å; A72-A78 PolarHBondContact O-N 3.09Å; F73-A78 HydrophobicContact CB-CB 4.18Å; F73-A78 HydrophobicContact CD2-CB 3.93Å; A78-Q85 WeakPolarHBondContact O-CA 3.45Å; A78-Q85 WeakPolarHBondContact O-CG 3.17Å
79G90.2Very high92.2Very high14 Ų1466.8 Ų66.814%0.14433%0.328CS..  trans102145.3-173.900000112.5R77R77-G79 VanDerWaalsContact C-N 3.32Å
80V89.1Confident92.3Very high117 Ų11770.1 Ų70.171%0.70935%0.346SS*.SBendtrans-86.6-18.8-173-560000114.3
81D90.3Very high92.5Very high72 Ų7267.1 Ų67.139%0.38533%0.334SS..SBendtrans-140171.617863.742.4000110.4K83 Q84 Q85D81-K83 PolarHBondContact O-N 2.92Å; D81-K83 WeakPolarHBondContact OD1-CA 3.34Å; D81-K83 WeakPolarHBondContact OD1-CB 3.4Å; D81-K83 PolarHBondContact OD1-N 3.35Å; D81-Q84 PolarHBondContact O-N 2.81Å; D81-Q84 PolarHBondContact OD1-N 2.83Å; D81-Q85 WeakPolarHBondContact O-CB 3.5Å; D81-Q85 VanDerWaalsContact O-CG 3.3Å; D81-Q85 WeakPolarHBondContact O-CG 3.31Å; D81-Q85 PolarHBondContact O-N 2.78Å
82S90.5Very high92.6Very high89 Ų8967 Ų6762%0.62233%0.334SS*.Hα-helixtrans-60.4-33.2-178.1-53.10000113Q85 S86S82-Q85 PolarHBondContact O-N 3.38Å; S82-S86 PolarHBondContact O-N 3.06Å; S82-S86 PolarHBondContact O-OG 3.28Å; S82-S86 VanDerWaalsContact O-OG 3.04Å
83K91.4Very high92.8Very high150 Ų15069.9 Ų69.965%0.65235%0.354SS*.Hα-helixtrans-67.1-47.3178.5178-176.3177.3-177.80110.3D81 S86 Q87D81-K83 PolarHBondContact O-N 2.92Å; D81-K83 WeakPolarHBondContact OD1-CA 3.34Å; D81-K83 WeakPolarHBondContact OD1-CB 3.4Å; D81-K83 PolarHBondContact OD1-N 3.35Å; K83-S86 PolarHBondContact O-N 3.44Å; K83-Q87 WeakPolarHBondContact O-CG 3.48Å; K83-Q87 PolarHBondContact O-N 2.89Å
84Q95.6Very high93.1Very high40 Ų4066.2 Ų66.219%0.18734%0.338CS..Hα-helixtrans-65.4-39.3176.2-69.6-169.414.100111.5D81 S86 Q87 V88 V146D81-Q84 PolarHBondContact O-N 2.81Å; D81-Q84 PolarHBondContact OD1-N 2.83Å; Q84-S86 VanDerWaalsContact C-N 3.33Å; Q84-S86 PolarHBondContact O-N 3.25Å; Q84-Q87 CarbonylContact O-C 3.59Å; Q84-Q87 WeakPolarHBondContact O-CB 3.37Å; Q84-Q87 PolarHBondContact O-N 3.04Å; Q84-Q87 VanDerWaalsContact O-N 3.15Å; Q84-V88 WeakPolarHBondContact O-CG2 3.48Å; Q84-V88 PolarHBondContact O-N 2.9Å; Q84-V146 HydrophobicContact CB-CG1 3.73Å; Q84-V146 HydrophobicContact CG-CG1 3.91Å
85Q94.8Very high93.4Very high57 Ų5762.2 Ų62.227%0.26632%0.319SS..Hα-helixtrans-59.9-42.4174.5-74170.23.700112.1W69 A78 D81 S82 V88 W89W69-Q85 HydrophobicContact CH2-CB 4.37Å; A78-Q85 WeakPolarHBondContact O-CA 3.45Å; A78-Q85 WeakPolarHBondContact O-CG 3.17Å; D81-Q85 WeakPolarHBondContact O-CB 3.5Å; D81-Q85 VanDerWaalsContact O-CG 3.3Å; D81-Q85 WeakPolarHBondContact O-CG 3.31Å; D81-Q85 PolarHBondContact O-N 2.78Å; S82-Q85 PolarHBondContact O-N 3.38Å; Q85-V88 PolarHBondContact O-N 3.34Å; Q85-W89 PolarHBondContact O-N 3.26Å
86S91.8Very high93.6Very high81 Ų8164.9 Ų64.957%0.56633%0.33SS*.Hα-helixtrans-65.2-38.9173.6-59.60000112.5S82 K83 Q84 V88 W89 Q90S82-S86 PolarHBondContact O-N 3.06Å; S82-S86 PolarHBondContact O-OG 3.28Å; S82-S86 VanDerWaalsContact O-OG 3.04Å; K83-S86 PolarHBondContact O-N 3.44Å; Q84-S86 VanDerWaalsContact C-N 3.33Å; Q84-S86 PolarHBondContact O-N 3.25Å; S86-V88 VanDerWaalsContact C-N 3.34Å; S86-W89 PolarHBondContact O-N 2.9Å; S86-Q90 PolarHBondContact O-N 3.4Å
87Q94.4Very high93.7Very high49 Ų4961.3 Ų61.323%0.22932%0.32CS..Hα-helixtrans-66-36.5174.6-71.2176-35.300112K83 Q84 Q90 W91 V146K83-Q87 WeakPolarHBondContact O-CG 3.48Å; K83-Q87 PolarHBondContact O-N 2.89Å; Q84-Q87 CarbonylContact O-C 3.59Å; Q84-Q87 WeakPolarHBondContact O-CB 3.37Å; Q84-Q87 PolarHBondContact O-N 3.04Å; Q84-Q87 VanDerWaalsContact O-N 3.15Å; Q87-Q90 WeakPolarHBondContact O-CB 3.39Å; Q87-Q90 PolarHBondContact O-N 3.02Å; Q87-W91 PolarHBondContact O-N 2.97Å; Q87-W91 VanDerWaalsContact O-N 3.13Å; Q87-V146 HydrophobicContact CB-CG1 3.96Å; Q87-V146 HydrophobicContact CB-CG2 3.78Å
88V96.9Very high93.6Very high0 Ų061.9 Ų61.90%033%0.326CS..Hα-helixtrans-61.3-49173.1171.70000109.4W69 Q84 Q85 S86 Q90 W91 L92 V146 L152 A153W69-V88 HydrophobicContact CE3-CG1 4.39Å; W69-V88 HydrophobicContact CZ3-CB 4.28Å; W69-V88 HydrophobicContact CZ3-CG1 3.71Å; Q84-V88 WeakPolarHBondContact O-CG2 3.48Å; Q84-V88 PolarHBondContact O-N 2.9Å; Q85-V88 PolarHBondContact O-N 3.34Å; S86-V88 VanDerWaalsContact C-N 3.34Å; V88-Q90 VanDerWaalsContact C-N 3.32Å; V88-Q90 PolarHBondContact O-N 2.94Å; V88-W91 PolarHBondContact O-N 3.32Å; V88-L92 HydrophobicContact CG1-CD1 3.49Å; V88-L92 VanDerWaalsContact CG1-CD1 3.49Å; V88-L92 WeakPolarHBondContact O-CD1 3.38Å; V88-L92 PolarHBondContact O-N 2.96Å; V88-V146 HydrophobicContact CG2-CB 4.16Å; V88-V146 HydrophobicContact CG2-CG1 4.11Å; V88-V146 HydrophobicContact CG2-CG2 4.04Å; V88-L152 HydrophobicContact CG1-CB 3.87Å; V88-L152 HydrophobicContact CG1-CD2 4.41Å; V88-L152 HydrophobicContact CG1-CG 4.46Å; V88-A153 HydrophobicContact CG2-CB 4.29Å
89W96.5Very high93.7Very high124 Ų12461.8 Ų61.847%0.4733%0.325SS..Hα-helixtrans-57.9-40.1174.6-90.7112.4000114W69 Q85 S86 W91 L92 S93W69-W89 AromaticContact CD2-CE2 3.94Å; W69-W89 AromaticContact CD2-CZ2 3.82Å; W69-W89 HydrophobicContact CD2-CZ2 3.82Å; W69-W89 AromaticContact CD2-NE1 3.88Å; W69-W89 AromaticContact CE2-NE1 3.68Å; W69-W89 HydrophobicContact CE3-CD2 4.23Å; W69-W89 AromaticContact CE3-CE2 3.63Å; W69-W89 AromaticContact CE3-CZ2 3.87Å; W69-W89 HydrophobicContact CE3-CZ2 3.87Å; W69-W89 AromaticContact CE3-NE1 3.61Å; W69-W89 HydrophobicContact CG-CZ2 4.21Å; W69-W89 AromaticContact CH2-CD1 3.21Å; W69-W89 AromaticContact CH2-CE2 3.94Å; W69-W89 HydrophobicContact CH2-CG 4.16Å; W69-W89 AromaticContact CH2-NE1 3.04Å; W69-W89 AromaticContact CZ2-CD1 3.91Å; W69-W89 AromaticContact CZ2-NE1 3.29Å; W69-W89 VanDerWaalsContact CZ2-NE1 3.29Å; W69-W89 AromaticContact CZ3-CD1 3.34Å; W69-W89 HydrophobicContact CZ3-CD2 4.02Å; W69-W89 AromaticContact CZ3-CE2 3.63Å; W69-W89 AromaticContact CZ3-CG 3.86Å; W69-W89 HydrophobicContact CZ3-CG 3.86Å; W69-W89 HydrophobicContact CZ3-CZ2 4.33Å; W69-W89 AromaticContact CZ3-NE1 3.18Å; Q85-W89 PolarHBondContact O-N 3.26Å; S86-W89 PolarHBondContact O-N 2.9Å; W89-W91 VanDerWaalsContact C-N 3.27Å; W89-W91 PolarHBondContact O-N 3.41Å; W89-L92 HydrophobicContact CE3-CB 4.43Å; W89-L92 HydrophobicContact CE3-CD2 4.48Å; W89-L92 HydrophobicContact CZ3-CD2 4.38Å; W89-L92 PolarHBondContact O-N 3.36Å; W89-S93 WeakPolarHBondContact O-CB 3.08Å; W89-S93 PolarHBondContact O-N 3.39Å
90Q96.3Very high93.8Very high119 Ų11962 Ų6256%0.55632%0.324SS*.Hα-helixtrans-56-44.4174.2178.9-171.7-14.500111S86 Q87 V88 S93 F94S86-Q90 PolarHBondContact O-N 3.4Å; Q87-Q90 WeakPolarHBondContact O-CB 3.39Å; Q87-Q90 PolarHBondContact O-N 3.02Å; V88-Q90 VanDerWaalsContact C-N 3.32Å; V88-Q90 PolarHBondContact O-N 2.94Å; Q90-S93 PolarHBondContact O-N 3.09Å; Q90-F94 WeakPolarHBondContact O-CB 3.49Å; Q90-F94 PolarHBondContact O-N 3.41Å
91W96.9Very high94Very high20 Ų2059.6 Ų59.68%0.07631%0.31CS..Hα-helixtrans-77.2-30.9-179.6-71.5116.8000114Q87 V88 W89 S93 F94 A95 L135 A138 L145 A153 V157Q87-W91 PolarHBondContact O-N 2.97Å; Q87-W91 VanDerWaalsContact O-N 3.13Å; V88-W91 PolarHBondContact O-N 3.32Å; W89-W91 VanDerWaalsContact C-N 3.27Å; W89-W91 PolarHBondContact O-N 3.41Å; W91-S93 VanDerWaalsContact C-N 3.35Å; W91-F94 HydrophobicContact CE3-CB 4.06Å; W91-F94 AromaticContact CE3-CD1 3.75Å; W91-F94 HydrophobicContact CE3-CD1 3.75Å; W91-F94 HydrophobicContact CE3-CE1 4.43Å; W91-F94 AromaticContact CE3-CG 3.99Å; W91-F94 HydrophobicContact CE3-CG 3.99Å; W91-F94 AromaticContact CZ3-CD1 3.78Å; W91-F94 HydrophobicContact CZ3-CD1 3.78Å; W91-F94 HydrophobicContact CZ3-CE1 4.05Å; W91-F94 HydrophobicContact CZ3-CG 4.06Å; W91-F94 PolarHBondContact O-N 3.14Å; W91-A95 WeakPolarHBondContact O-CB 3.49Å; W91-A95 PolarHBondContact O-N 2.87Å; W91-L135 HydrophobicContact CE3-CD1 4.39Å; W91-L135 HydrophobicContact CH2-CD1 4.07Å; W91-L135 HydrophobicContact CZ3-CD1 3.7Å; W91-A138 HydrophobicContact CH2-CB 3.62Å; W91-A138 HydrophobicContact CZ2-CB 3.97Å; W91-L145 HydrophobicContact CD2-CB 4.48Å; W91-L145 HydrophobicContact CD2-CD1 4.23Å; W91-L145 HydrophobicContact CD2-CD2 4.14Å; W91-L145 HydrophobicContact CE3-CD1 4.45Å; W91-L145 HydrophobicContact CE3-CD2 4.33Å; W91-L145 HydrophobicContact CG-CB 4.34Å; W91-L145 HydrophobicContact CG-CD1 4.31Å; W91-L145 HydrophobicContact CH2-CD2 4.1Å; W91-L145 HydrophobicContact CZ2-CD2 3.87Å; W91-L145 HydrophobicContact CZ3-CD2 4.32Å; W91-A153 HydrophobicContact CB-CB 3.59Å; W91-A153 HydrophobicContact CG-CB 4Å; W91-V157 HydrophobicContact CB-CG2 4.27Å; W91-V157 HydrophobicContact CE3-CG2 4.3Å
92L95.5Very high94.2Very high1 Ų157.2 Ų57.21%0.00530%0.298CS..Hα-helixtrans-61.9-46.4168.1-87.478.6000110.5W69 V88 W89 F94 A95 D96 L152 A156W69-L92 HydrophobicContact CE3-CD2 4.31Å; V88-L92 HydrophobicContact CG1-CD1 3.49Å; V88-L92 VanDerWaalsContact CG1-CD1 3.49Å; V88-L92 WeakPolarHBondContact O-CD1 3.38Å; V88-L92 PolarHBondContact O-N 2.96Å; W89-L92 HydrophobicContact CE3-CB 4.43Å; W89-L92 HydrophobicContact CE3-CD2 4.48Å; W89-L92 HydrophobicContact CZ3-CD2 4.38Å; W89-L92 PolarHBondContact O-N 3.36Å; L92-F94 VanDerWaalsContact C-N 3.32Å; L92-F94 PolarHBondContact O-N 3.36Å; L92-A95 PolarHBondContact O-N 2.87Å; L92-D96 PolarHBondContact O-N 2.75Å; L92-L152 HydrophobicContact CD1-CB 4.5Å; L92-L152 HydrophobicContact CD1-CD2 3.97Å; L92-L152 HydrophobicContact CD1-CG 3.91Å; L92-L152 HydrophobicContact CD2-CD2 3.86Å; L92-L152 HydrophobicContact CD2-CG 4.41Å; L92-L152 HydrophobicContact CG-CD2 4.43Å; L92-A156 HydrophobicContact CD1-CB 4.48Å; L92-A156 HydrophobicContact CG-CB 4.16Å
93S95.1Very high94.3Very high60 Ų6053.1 Ų53.142%0.4227%0.27SS..Hα-helixtrans-60.7-42176.7-174.80000111.6W89 Q90 W91 D96 N97W89-S93 WeakPolarHBondContact O-CB 3.08Å; W89-S93 PolarHBondContact O-N 3.39Å; Q90-S93 PolarHBondContact O-N 3.09Å; W91-S93 VanDerWaalsContact C-N 3.35Å; S93-D96 PolarHBondContact O-N 3.49Å; S93-N97 VanDerWaalsContact O-CB 3.28Å; S93-N97 WeakPolarHBondContact O-CB 3.24Å; S93-N97 PolarHBondContact O-N 3.11Å; S93-N97 PolarHBondContact O-ND2 3.46Å; S93-N97 PolarHBondContact OG-ND2 3.46Å; S93-N97 VanDerWaalsContact OG-ND2 3.09Å
94F96.4Very high94.2Very high34 Ų3447 Ų4715%0.14925%0.245CC..Hα-helixtrans-62.5-43.7173.8-179.7-97.4000112.3Q90 W91 L92 E98 L99 V131 L135Q90-F94 WeakPolarHBondContact O-CB 3.49Å; Q90-F94 PolarHBondContact O-N 3.41Å; W91-F94 HydrophobicContact CE3-CB 4.06Å; W91-F94 AromaticContact CE3-CD1 3.75Å; W91-F94 HydrophobicContact CE3-CD1 3.75Å; W91-F94 HydrophobicContact CE3-CE1 4.43Å; W91-F94 AromaticContact CE3-CG 3.99Å; W91-F94 HydrophobicContact CE3-CG 3.99Å; W91-F94 AromaticContact CZ3-CD1 3.78Å; W91-F94 HydrophobicContact CZ3-CD1 3.78Å; W91-F94 HydrophobicContact CZ3-CE1 4.05Å; W91-F94 HydrophobicContact CZ3-CG 4.06Å; W91-F94 PolarHBondContact O-N 3.14Å; L92-F94 VanDerWaalsContact C-N 3.32Å; L92-F94 PolarHBondContact O-N 3.36Å; F94-E98 HydrophobicContact CD2-CB 3.89Å; F94-E98 HydrophobicContact CD2-CG 3.86Å; F94-E98 HydrophobicContact CE2-CB 3.96Å; F94-E98 HydrophobicContact CE2-CG 4.21Å; F94-E98 HydrophobicContact CG-CB 4.45Å; F94-E98 WeakPolarHBondContact O-CB 3.24Å; F94-E98 PolarHBondContact O-N 3.47Å; F94-L99 HydrophobicContact CE1-CB 4.3Å; F94-L99 HydrophobicContact CE1-CD2 4.05Å; F94-L99 PolarHBondContact O-N 3.36Å; F94-V131 HydrophobicContact CE1-CG1 4.31Å; F94-V131 HydrophobicContact CE2-CG1 4.1Å; F94-V131 HydrophobicContact CZ-CG1 3.54Å; F94-L135 HydrophobicContact CE1-CB 4.46Å; F94-L135 HydrophobicContact CE1-CD1 4.36Å
95A95.4Very high93.8Very high1 Ų146.6 Ų46.61%0.00825%0.249CC..Iπ-helixtrans-61.7-45.3177.600000111.7W91 L92 T100 A156 V157 A160W91-A95 WeakPolarHBondContact O-CB 3.49Å; W91-A95 PolarHBondContact O-N 2.87Å; L92-A95 PolarHBondContact O-N 2.87Å; A95-T100 WeakPolarHBondContact O-CB 3.09Å; A95-T100 PolarHBondContact O-N 3.34Å; A95-T100 PolarHBondContact O-OG1 2.83Å; A95-A156 HydrophobicContact CB-CB 4.04Å; A95-V157 HydrophobicContact CB-CG2 4.1Å; A95-A160 HydrophobicContact CB-CB 4.3Å
96D91.6Very high93.6Very high70 Ų7044 Ų4437%0.37424%0.237SC..Iπ-helixtrans-75-42.6-175.9-74-20.6000112.8S65 L92 S93 P101S65-D96 PolarHBondContact OG-OD2 3.31Å; L92-D96 PolarHBondContact O-N 2.75Å; S93-D96 PolarHBondContact O-N 3.49Å; D96-P101 WeakPolarHBondContact O-CD 3.13Å
97N91.9Very high93.4Very high106 Ų10640.2 Ų40.257%0.56721%0.211SC*.Iπ-helixtrans-96.2-30.1-169.6-61-51.5000114S93S93-N97 VanDerWaalsContact O-CB 3.28Å; S93-N97 WeakPolarHBondContact O-CB 3.24Å; S93-N97 PolarHBondContact O-N 3.11Å; S93-N97 PolarHBondContact O-ND2 3.46Å; S93-N97 PolarHBondContact OG-ND2 3.46Å; S93-N97 VanDerWaalsContact OG-ND2 3.09Å
98E92.6Very high93Very high93 Ų9340.2 Ų40.244%0.43521%0.21SC..Iπ-helixtrans-106.8-50.8-175.1-58.4-70.5157.200111F94 V102 V131F94-E98 HydrophobicContact CD2-CB 3.89Å; F94-E98 HydrophobicContact CD2-CG 3.86Å; F94-E98 HydrophobicContact CE2-CB 3.96Å; F94-E98 HydrophobicContact CE2-CG 4.21Å; F94-E98 HydrophobicContact CG-CB 4.45Å; F94-E98 WeakPolarHBondContact O-CB 3.24Å; F94-E98 PolarHBondContact O-N 3.47Å; E98-V102 VanDerWaalsContact O-CG2 3.29Å; E98-V102 WeakPolarHBondContact O-CG2 3.46Å; E98-V131 HydrophobicContact CB-CG1 4.39Å
99L93.8Very high92.4Very high0 Ų041.1 Ų41.10%022%0.216CC..Iπ-helixtrans-89-42.3-165.9-165.755.5000113.9F94 V102 S103 L128 V131 L132 L135 V157 A160 V161F94-L99 HydrophobicContact CE1-CB 4.3Å; F94-L99 HydrophobicContact CE1-CD2 4.05Å; F94-L99 PolarHBondContact O-N 3.36Å; L99-V102 HydrophobicContact CD1-CG2 4.45Å; L99-V102 VanDerWaalsContact O-CG2 3.26Å; L99-V102 WeakPolarHBondContact O-CG2 3.23Å; L99-S103 WeakPolarHBondContact O-CB 3.42Å; L99-S103 PolarHBondContact O-N 2.96Å; L99-S103 PolarHBondContact O-OG 2.93Å; L99-L128 HydrophobicContact CD1-CD1 4.46Å; L99-V131 HydrophobicContact CB-CG1 4.49Å; L99-V131 HydrophobicContact CD1-CB 4.47Å; L99-V131 HydrophobicContact CD1-CG1 3.74Å; L99-L132 HydrophobicContact CD1-CD2 4.05Å; L99-L135 HydrophobicContact CD2-CD2 4.29Å; L99-V157 HydrophobicContact CD2-CG1 3.67Å; L99-A160 HydrophobicContact CB-CB 4.36Å; L99-A160 HydrophobicContact CD2-CB 4.13Å; L99-A160 HydrophobicContact CG-CB 4.14Å; L99-V161 HydrophobicContact CD1-CG1 3.8Å; L99-V161 HydrophobicContact CD2-CG1 3.29Å; L99-V161 HydrophobicContact CG-CG1 3.67Å
100T93.6Very high91.7Very high20 Ų2036 Ų3612%0.12320%0.197CC..Hα-helixtrans-61.6-47.5178.6-67.40000112.1F13 A95 V102 S103 C104F13-T100 HydrophobicContact CD2-CG2 4.44Å; F13-T100 HydrophobicContact CE2-CG2 3.36Å; F13-T100 HydrophobicContact CZ-CG2 3.41Å; F13-T100 VanDerWaalsContact CZ-CG2 3.41Å; A95-T100 WeakPolarHBondContact O-CB 3.09Å; A95-T100 PolarHBondContact O-N 3.34Å; A95-T100 PolarHBondContact O-OG1 2.83Å; T100-V102 PolarHBondContact O-N 3.45Å; T100-S103 PolarHBondContact O-N 2.86Å; T100-C104 WeakPolarHBondContact O-CB 3.15Å; T100-C104 PolarHBondContact O-N 3.49Å; T100-C104 PolarHBondContact O-SG 2.91Å
101P93.4Very high90.7Very high66 Ų6632.1 Ų32.143%0.42918%0.18SC..Hα-helixtrans-61.3-44.9-178.3-25.137000112.4D96 C104 A105D96-P101 WeakPolarHBondContact O-CD 3.13Å; P101-C104 PolarHBondContact O-N 2.99Å; P101-A105 WeakPolarHBondContact O-CB 3.41Å; P101-A105 PolarHBondContact O-N 3.23Å
102V92.8Very high89.4Confident21 Ų2134.1 Ų34.113%0.12721%0.207CC..Hα-helixtrans-70.8-35179.7-57.40000111.9E98 L99 T100 A105 V106 E127 L128 V131E98-V102 VanDerWaalsContact O-CG2 3.29Å; E98-V102 WeakPolarHBondContact O-CG2 3.46Å; L99-V102 HydrophobicContact CD1-CG2 4.45Å; L99-V102 VanDerWaalsContact O-CG2 3.26Å; L99-V102 WeakPolarHBondContact O-CG2 3.23Å; T100-V102 PolarHBondContact O-N 3.45Å; V102-A105 PolarHBondContact O-N 2.92Å; V102-V106 WeakPolarHBondContact O-CG2 3.34Å; V102-V106 PolarHBondContact O-N 3.04Å; V102-V106 VanDerWaalsContact O-N 3.1Å; V102-E127 HydrophobicContact CG1-CG 3.81Å; V102-L128 HydrophobicContact CG2-CB 4.46Å; V102-L128 HydrophobicContact CG2-CD1 3.97Å; V102-V131 HydrophobicContact CG2-CB 4.47Å; V102-V131 HydrophobicContact CG2-CG2 4.31Å
103S93.1Very high88.1Confident4 Ų438.7 Ų38.73%0.02823%0.234CC..Hα-helixtrans-64.5-45.4174.6-62.80000111.3L99 T100 V106 V107 A160 P164L99-S103 WeakPolarHBondContact O-CB 3.42Å; L99-S103 PolarHBondContact O-N 2.96Å; L99-S103 PolarHBondContact O-OG 2.93Å; T100-S103 PolarHBondContact O-N 2.86Å; S103-V106 PolarHBondContact O-N 3.37Å; S103-V107 WeakPolarHBondContact O-CB 3.29Å; S103-V107 VanDerWaalsContact O-CG2 3.29Å; S103-V107 WeakPolarHBondContact O-CG2 3.27Å; S103-V107 PolarHBondContact O-N 3.35Å; S103-A160 WeakPolarHBondContact CB-O 3.06Å; S103-A160 PolarHBondContact OG-O 3.22Å; S103-P164 VanDerWaalsContact CB-CG 3.48Å; S103-P164 WeakPolarHBondContact OG-CG 3.41Å
104C90.4Very high86.6Confident20 Ų2040.5 Ų40.514%0.13524%0.237CC..Hα-helixtrans-62.2-44.5174.2-64.20000111.2T100 P101 V106 V107 F108T100-C104 WeakPolarHBondContact O-CB 3.15Å; T100-C104 PolarHBondContact O-N 3.49Å; T100-C104 PolarHBondContact O-SG 2.91Å; P101-C104 PolarHBondContact O-N 2.99Å; C104-V106 PolarHBondContact O-N 2.83Å; C104-V107 PolarHBondContact O-N 3.31Å; C104-F108 HydrophobicContact CB-CD1 4.36Å; C104-F108 HydrophobicContact CB-CD2 3.89Å; C104-F108 HydrophobicContact CB-CE1 4.2Å; C104-F108 HydrophobicContact CB-CE2 3.71Å; C104-F108 HydrophobicContact CB-CG 4.22Å; C104-F108 HydrophobicContact CB-CZ 3.88Å; C104-F108 WeakPolarHBondContact O-CB 3.39Å; C104-F108 WeakPolarHBondContact O-CG 3.27Å; C104-F108 PolarHBondContact O-N 3.03Å; C104-F108 VanDerWaalsContact SG-CZ 3.52Å
105A87.6Confident84.5Confident33 Ų3342.4 Ų42.427%0.27327%0.266SS..Hα-helixtrans-61.8-30.9-17900000113.3P101 V102 P109P101-A105 WeakPolarHBondContact O-CB 3.41Å; P101-A105 PolarHBondContact O-N 3.23Å; V102-A105 PolarHBondContact O-N 2.92Å; A105-P109 VanDerWaalsContact O-CD 3.25Å; A105-P109 WeakPolarHBondContact O-CD 3.09Å; A105-P109 VanDerWaalsContact O-CG 3.29Å; A105-P109 WeakPolarHBondContact O-CG 3.32Å
106V89.1Confident82.5Confident3 Ų345.4 Ų45.42%0.01828%0.284CS..Hα-helixtrans-82.6-43.2175.7174.60000111.9V102 S103 C104 L110 S124 R125 L128 A168V102-V106 WeakPolarHBondContact O-CG2 3.34Å; V102-V106 PolarHBondContact O-N 3.04Å; V102-V106 VanDerWaalsContact O-N 3.1Å; S103-V106 PolarHBondContact O-N 3.37Å; C104-V106 PolarHBondContact O-N 2.83Å; V106-L110 HydrophobicContact CG1-CD1 4.47Å; V106-L110 WeakPolarHBondContact O-CG 3.24Å; V106-S124 WeakPolarHBondContact CG2-O 3.49Å; V106-R125 HydrophobicContact CG2-CB 4.4Å; V106-L128 HydrophobicContact CB-CD2 4.03Å; V106-L128 HydrophobicContact CG1-CD2 4.01Å; V106-L128 HydrophobicContact CG2-CB 3.89Å; V106-L128 HydrophobicContact CG2-CD2 3.86Å; V106-L128 HydrophobicContact CG2-CG 4.5Å; V106-A168 HydrophobicContact CG1-CB 3.65Å
107V88.1Confident81.2Confident0 Ų046.4 Ų46.40%029%0.29CS..Hα-helixtrans-91.2-34.6-166.9-176.90000113.2S103 C104 L110 M111 L163 P164 Y167 A168S103-V107 WeakPolarHBondContact O-CB 3.29Å; S103-V107 VanDerWaalsContact O-CG2 3.29Å; S103-V107 WeakPolarHBondContact O-CG2 3.27Å; S103-V107 PolarHBondContact O-N 3.35Å; C104-V107 PolarHBondContact O-N 3.31Å; V107-L110 CarbonylContact O-C 3.53Å; V107-L110 WeakPolarHBondContact O-CA 3.39Å; V107-L110 WeakPolarHBondContact O-CB 3.46Å; V107-L110 PolarHBondContact O-N 3.4Å; V107-M111 HydrophobicContact CG1-CG 3.87Å; V107-M111 HydrophobicContact CG1-SD 3.67Å; V107-M111 WeakPolarHBondContact O-CG 3.29Å; V107-M111 PolarHBondContact O-N 2.97Å; V107-L163 HydrophobicContact CB-CB 4.24Å; V107-L163 HydrophobicContact CG1-CB 3.85Å; V107-L163 HydrophobicContact CG2-CB 4.15Å; V107-P164 HydrophobicContact CG2-CB 4.46Å; V107-P164 HydrophobicContact CG2-CG 4.04Å; V107-Y167 HydrophobicContact CG1-CD2 3.81Å; V107-Y167 HydrophobicContact CG1-CG 4.31Å; V107-A168 HydrophobicContact CG2-CB 4.08Å
108F86.5Confident79.5Confident50 Ų5046.3 Ų46.322%0.21928%0.284CS..Hα-helixtrans-62.3-35.7-179.9-70.52.2000113.3F13 C104 M111 G112 V113 M114 L163F13-F108 HydrophobicContact CE1-CZ 4.23Å; C104-F108 HydrophobicContact CB-CD1 4.36Å; C104-F108 HydrophobicContact CB-CD2 3.89Å; C104-F108 HydrophobicContact CB-CE1 4.2Å; C104-F108 HydrophobicContact CB-CE2 3.71Å; C104-F108 HydrophobicContact CB-CG 4.22Å; C104-F108 HydrophobicContact CB-CZ 3.88Å; C104-F108 WeakPolarHBondContact O-CB 3.39Å; C104-F108 WeakPolarHBondContact O-CG 3.27Å; C104-F108 PolarHBondContact O-N 3.03Å; C104-F108 VanDerWaalsContact SG-CZ 3.52Å; F108-M111 PolarHBondContact O-N 3.47Å; F108-G112 PolarHBondContact O-N 3.19Å; F108-G112 VanDerWaalsContact O-N 3.12Å; F108-V113 HydrophobicContact CB-CB 4.09Å; F108-V113 HydrophobicContact CD2-CG1 4.4Å; F108-V113 HydrophobicContact CG-CB 4.4Å; F108-V113 HydrophobicContact CG-CG1 4.46Å; F108-V113 PolarHBondContact O-N 3.46Å; F108-M114 HydrophobicContact CB-CB 4.35Å; F108-M114 HydrophobicContact CB-CG 3.94Å; F108-M114 HydrophobicContact CB-SD 3.86Å; F108-M114 HydrophobicContact CD2-CG 4.49Å; F108-M114 HydrophobicContact CD2-SD 3.97Å; F108-M114 HydrophobicContact CG-SD 4.45Å; F108-M114 PolarHBondContact O-N 2.98Å; F108-L163 HydrophobicContact CE1-CD1 4.16Å
109P83.4Confident77.8Confident18 Ų1846.9 Ų46.912%0.11729%0.285CS..Hα-helixtrans-64-37.3167.9-24.535.6000113.5A105 M111 G112 M114 V116A105-P109 VanDerWaalsContact O-CD 3.25Å; A105-P109 WeakPolarHBondContact O-CD 3.09Å; A105-P109 VanDerWaalsContact O-CG 3.29Å; A105-P109 WeakPolarHBondContact O-CG 3.32Å; P109-M111 VanDerWaalsContact C-N 3.33Å; P109-G112 PolarHBondContact O-N 3.49Å; P109-M114 HydrophobicContact CG-CB 4.42Å; P109-V116 HydrophobicContact CB-CG2 4.3Å
110L81.8Confident76.1Confident16 Ų1651.6 Ų51.68%0.08431%0.31CS..Hα-helixtrans-68.8-32.4177.3-65.7171.4000112.3V106 V107 G112 Q121 A168 V206 V209V106-L110 HydrophobicContact CG1-CD1 4.47Å; V106-L110 WeakPolarHBondContact O-CG 3.24Å; V107-L110 CarbonylContact O-C 3.53Å; V107-L110 WeakPolarHBondContact O-CA 3.39Å; V107-L110 WeakPolarHBondContact O-CB 3.46Å; V107-L110 PolarHBondContact O-N 3.4Å; L110-G112 VanDerWaalsContact C-N 3.31Å; L110-Q121 VanDerWaalsContact CD2-NE2 3.28Å; L110-A168 HydrophobicContact CD1-CB 3.76Å; L110-V206 HydrophobicContact CD1-CG1 3.88Å; L110-V206 HydrophobicContact CD2-CG1 3.67Å; L110-V206 HydrophobicContact CG-CG1 4.46Å; L110-V209 PolarHBondContact O-N 3.33Å
111M75.9Confident74.9Confident39 Ų3953 Ų5319%0.19232%0.315CS..THydrogen-bonded Turntrans-83.8-2.6174.9-65178.572.600113.3D11 V107 F108 P109 V113 Y167D11-M111 HydrophobicContact CB-CE 4.36Å; V107-M111 HydrophobicContact CG1-CG 3.87Å; V107-M111 HydrophobicContact CG1-SD 3.67Å; V107-M111 WeakPolarHBondContact O-CG 3.29Å; V107-M111 PolarHBondContact O-N 2.97Å; F108-M111 PolarHBondContact O-N 3.47Å; P109-M111 VanDerWaalsContact C-N 3.33Å; M111-V113 HydrophobicContact CB-CG2 3.96Å; M111-V113 PolarHBondContact O-N 2.97Å; M111-Y167 HydrophobicContact CE-CE2 4.43Å; M111-Y167 HydrophobicContact CG-CD2 4.49Å; M111-Y167 HydrophobicContact SD-CD2 4.26Å; M111-Y167 HydrophobicContact SD-CE2 4.16Å
112G68.9Low74Confident62 Ų6257.1 Ų57.164%0.63933%0.329SS*.THydrogen-bonded Turntrans71.214.9-178.800000115F108 P109 L110F108-G112 PolarHBondContact O-N 3.19Å; F108-G112 VanDerWaalsContact O-N 3.12Å; P109-G112 PolarHBondContact O-N 3.49Å; L110-G112 VanDerWaalsContact C-N 3.31Å
113V68.2Low73.3Confident96 Ų9660.3 Ų60.358%0.58235%0.348SS*.SBendtrans-78.8-25.3177.8-179.20000111.1F108 M111F108-V113 HydrophobicContact CB-CB 4.09Å; F108-V113 HydrophobicContact CD2-CG1 4.4Å; F108-V113 HydrophobicContact CG-CB 4.4Å; F108-V113 HydrophobicContact CG-CG1 4.46Å; F108-V113 PolarHBondContact O-N 3.46Å; M111-V113 HydrophobicContact CB-CG2 3.96Å; M111-V113 PolarHBondContact O-N 2.97Å
114M64.3Low72.8Confident99 Ų9960.7 Ų60.749%0.48835%0.351SS..SBendtrans-129.3150.9177.3-68.7179.867.700111F108 P109F108-M114 HydrophobicContact CB-CB 4.35Å; F108-M114 HydrophobicContact CB-CG 3.94Å; F108-M114 HydrophobicContact CB-SD 3.86Å; F108-M114 HydrophobicContact CD2-CG 4.49Å; F108-M114 HydrophobicContact CD2-SD 3.97Å; F108-M114 HydrophobicContact CG-SD 4.45Å; F108-M114 PolarHBondContact O-N 2.98Å; P109-M114 HydrophobicContact CG-CB 4.42Å
115G52.9Low72.6Confident73 Ų7363 Ų6375%0.75336%0.357SS*.  trans-61.7140.7176.700000112.4D117G115-D117 PolarHBondContact O-N 2.96Å
116V52.3Low72.6Confident64 Ų6464.5 Ų64.539%0.38837%0.37SS..  trans-88.4105.6-174.5-175.20000110.8P109P109-V116 HydrophobicContact CB-CG2 4.3Å
117D64.1Low72.7Confident92 Ų9267.6 Ų67.649%0.49238%0.384SS..  trans-99.1115.8160.1177.4-3.6000109.2G115 K119 L120 Q121G115-D117 PolarHBondContact O-N 2.96Å; D117-K119 PolarHBondContact O-N 2.97Å; D117-K119 WeakPolarHBondContact OD1-CB 3.34Å; D117-K119 PolarHBondContact OD1-N 3.25Å; D117-L120 HydrophobicContact CB-CB 3.84Å; D117-L120 PolarHBondContact O-N 3.07Å; D117-Q121 WeakPolarHBondContact O-CB 3.4Å; D117-Q121 PolarHBondContact O-N 3.36Å
118K57.4Low73Confident103 Ų10367.7 Ų67.745%0.44838%0.384SS..Hα-helixtrans-63.2-27.6-177.9-68.7-173.9-178.4174.40113.3Q122 E1247K118-Q122 WeakPolarHBondContact O-CG 3.19Å; K118-Q122 PolarHBondContact O-N 2.97Å; K118-E1247 VanDerWaalsContact CE-OE2 3.29Å; K118-E1247 WeakPolarHBondContact CE-OE2 3.44Å; K118-E1247 IonicContact NZ-OE2 3.86Å; K118-E1247 PolarHBondContact NZ-OE2 3.36Å
119K56.3Low73.5Confident105 Ų10566.4 Ų66.446%0.45738%0.38SS..Hα-helixtrans-75.3-45.6176.1-165.8179.3179.7-172.30110D117 Q121 Q122 T123 H863D117-K119 PolarHBondContact O-N 2.97Å; D117-K119 WeakPolarHBondContact OD1-CB 3.34Å; D117-K119 PolarHBondContact OD1-N 3.25Å; K119-Q121 VanDerWaalsContact C-N 3.32Å; K119-Q121 PolarHBondContact O-N 3.43Å; K119-Q122 PolarHBondContact O-N 2.96Å; K119-T123 PolarHBondContact O-N 3Å; K119-T123 PolarHBondContact O-OG1 2.84Å; K119-T123 VanDerWaalsContact O-OG1 3.04Å; K119-H863 PolarHBondContact NZ-CE1 3.07Å; K119-H863 PolarHBondContact NZ-ND1 2.89Å
120L58.7Low74.1Confident100 Ų10071.2 Ų71.252%0.52440%0.395SS..Hα-helixtrans-62.8-37.5175.5-172.862000112.1D117 T123 S124D117-L120 HydrophobicContact CB-CB 3.84Å; D117-L120 PolarHBondContact O-N 3.07Å; L120-T123 PolarHBondContact O-N 2.56Å; L120-S124 WeakPolarHBondContact O-CB 3.41Å; L120-S124 PolarHBondContact O-N 2.89Å; L120-S124 PolarHBondContact O-OG 3.29Å
121Q68.4Low74.7Confident50 Ų5070.5 Ų70.523%0.23439%0.392CS..Hα-helixtrans-68-40.6178.9-166.2-179.225.300112.5L110 D117 K119 R125L110-Q121 VanDerWaalsContact CD2-NE2 3.28Å; D117-Q121 WeakPolarHBondContact O-CB 3.4Å; D117-Q121 PolarHBondContact O-N 3.36Å; K119-Q121 VanDerWaalsContact C-N 3.32Å; K119-Q121 PolarHBondContact O-N 3.43Å; Q121-R125 WeakPolarHBondContact O-CB 3.25Å; Q121-R125 PolarHBondContact O-N 3.05Å
122Q73.5Confident75.7Confident151 Ų15168.7 Ų68.771%0.70638%0.383SS*.Hα-helixtrans-66.7-44.7174.8-77.3-178-10.600111.7K118 K119 R125 A126K118-Q122 WeakPolarHBondContact O-CG 3.19Å; K118-Q122 PolarHBondContact O-N 2.97Å; K119-Q122 PolarHBondContact O-N 2.96Å; Q122-R125 PolarHBondContact O-N 3.18Å; Q122-A126 PolarHBondContact O-N 2.87Å
123T77.7Confident77Confident88 Ų8871.1 Ų71.154%0.5438%0.376SS..Hα-helixtrans-63.7-43.6176.6-55.20000111.5K119 L120 R125 A126 E127K119-T123 PolarHBondContact O-N 3Å; K119-T123 PolarHBondContact O-OG1 2.84Å; K119-T123 VanDerWaalsContact O-OG1 3.04Å; L120-T123 PolarHBondContact O-N 2.56Å; T123-R125 VanDerWaalsContact C-N 3.34Å; T123-R125 PolarHBondContact O-N 3.26Å; T123-A126 PolarHBondContact O-N 3.28Å; T123-E127 WeakPolarHBondContact O-CB 3.46Å; T123-E127 PolarHBondContact O-N 3.4Å
124S83.5Confident78.2Confident13 Ų1369.7 Ų69.79%0.09137%0.367CS..Hα-helixtrans-65.7-36.5178.8-56.70000111.8V106 L120 E127 L128V106-S124 WeakPolarHBondContact CG2-O 3.49Å; L120-S124 WeakPolarHBondContact O-CB 3.41Å; L120-S124 PolarHBondContact O-N 2.89Å; L120-S124 PolarHBondContact O-OG 3.29Å; S124-E127 PolarHBondContact O-N 2.69Å; S124-L128 WeakPolarHBondContact O-CB 3.42Å; S124-L128 PolarHBondContact O-N 3.21Å
125R86.7Confident79.7Confident67 Ų6765 Ų6525%0.25334%0.344SS..Hα-helixtrans-68.2-41.6174.8-173.2174.6179.9154.8-11.2111.7V106 Q121 Q122 T123 E127 L128 M129 E170 D173 V206V106-R125 HydrophobicContact CG2-CB 4.4Å; Q121-R125 WeakPolarHBondContact O-CB 3.25Å; Q121-R125 PolarHBondContact O-N 3.05Å; Q122-R125 PolarHBondContact O-N 3.18Å; T123-R125 VanDerWaalsContact C-N 3.34Å; T123-R125 PolarHBondContact O-N 3.26Å; R125-E127 VanDerWaalsContact C-N 3.29Å; R125-E127 PolarHBondContact O-N 3.17Å; R125-L128 PolarHBondContact O-N 3.01Å; R125-M129 WeakPolarHBondContact O-CG 3.4Å; R125-M129 PolarHBondContact O-N 3.39Å; R125-E170 IonicContact CZ-OE2 3.81Å; R125-E170 IonicContact NH1-OE2 2.82Å; R125-E170 IonicContact NH2-OE2 3.5Å; R125-E170 PolarHBondContact NH2-OE2 2.82Å; R125-D173 IonicContact CZ-OD2 3.95Å; R125-D173 IonicContact NE-OD2 3.75Å; R125-D173 IonicContact NH2-OD1 3.78Å; R125-D173 IonicContact NH2-OD2 3.75Å; R125-D173 PolarHBondContact NH2-OD2 3.5Å; R125-V206 VanDerWaalsContact NH1-CG2 3.28Å
126A86.8Confident81.8Confident66 Ų6662.5 Ų62.555%0.54531%0.314SS..Hα-helixtrans-61.3-41174.800000111.4Q122 T123 M129 R130Q122-A126 PolarHBondContact O-N 2.87Å; T123-A126 PolarHBondContact O-N 3.28Å; A126-M129 PolarHBondContact O-N 2.9Å; A126-R130 PolarHBondContact O-N 3.47Å
127E91.1Very high83.8Confident68 Ų6866.4 Ų66.432%0.31833%0.328SS..Hα-helixtrans-69.4-43.5178.3-173.257.9-162.800112.5V102 T123 S124 R125 M129 R130 V131V102-E127 HydrophobicContact CG1-CG 3.81Å; T123-E127 WeakPolarHBondContact O-CB 3.46Å; T123-E127 PolarHBondContact O-N 3.4Å; S124-E127 PolarHBondContact O-N 2.69Å; R125-E127 VanDerWaalsContact C-N 3.29Å; R125-E127 PolarHBondContact O-N 3.17Å; E127-M129 VanDerWaalsContact C-N 3.3Å; E127-M129 PolarHBondContact O-N 3.42Å; E127-R130 VanDerWaalsContact CD-NE 3.28Å; E127-R130 WeakPolarHBondContact O-CB 3.1Å; E127-R130 PolarHBondContact O-N 3.27Å; E127-R130 IonicContact OE1-CZ 2.75Å; E127-R130 IonicContact OE1-NE 2.95Å; E127-R130 PolarHBondContact OE1-NE 3.38Å; E127-R130 IonicContact OE1-NH2 3.85Å; E127-R130 PolarHBondContact OE1-NH2 3.06Å; E127-R130 IonicContact OE2-NE 2.79Å; E127-R130 PolarHBondContact OE2-NE 3.13Å; E127-V131 WeakPolarHBondContact O-CG2 3.35Å; E127-V131 PolarHBondContact O-N 2.97Å
128L94.8Very high85.2Confident1 Ų163.4 Ų63.41%0.00532%0.315CS..Hα-helixtrans-54.5-47.5171.1173.666000110.9L99 V102 V106 S124 R125 R130 V131 L132 P164 L169L99-L128 HydrophobicContact CD1-CD1 4.46Å; V102-L128 HydrophobicContact CG2-CB 4.46Å; V102-L128 HydrophobicContact CG2-CD1 3.97Å; V106-L128 HydrophobicContact CB-CD2 4.03Å; V106-L128 HydrophobicContact CG1-CD2 4.01Å; V106-L128 HydrophobicContact CG2-CB 3.89Å; V106-L128 HydrophobicContact CG2-CD2 3.86Å; V106-L128 HydrophobicContact CG2-CG 4.5Å; S124-L128 WeakPolarHBondContact O-CB 3.42Å; S124-L128 PolarHBondContact O-N 3.21Å; R125-L128 PolarHBondContact O-N 3.01Å; L128-R130 VanDerWaalsContact C-N 3.3Å; L128-R130 PolarHBondContact O-N 3.33Å; L128-V131 PolarHBondContact O-N 3.17Å; L128-L132 HydrophobicContact CD1-CD1 3.95Å; L128-L132 HydrophobicContact CD1-CG 4.07Å; L128-L132 HydrophobicContact CG-CD1 3.87Å; L128-L132 HydrophobicContact CG-CG 4.37Å; L128-L132 WeakPolarHBondContact O-CB 3.39Å; L128-L132 VanDerWaalsContact O-CG 3.22Å; L128-L132 WeakPolarHBondContact O-CG 3.34Å; L128-L132 PolarHBondContact O-N 3.11Å; L128-P164 HydrophobicContact CD1-CG 4.24Å; L128-P164 HydrophobicContact CD2-CB 4.05Å; L128-P164 HydrophobicContact CD2-CG 4.26Å; L128-L169 HydrophobicContact CD2-CD2 4.29Å
129M96.1Very high87.1Confident24 Ų2458.5 Ų58.512%0.11829%0.294CS..Hα-helixtrans-65.7-31.7177.7-69.5-53.9-62.600112.9R125 A126 E127 L132 K133 L169 D173 A176 V177R125-M129 WeakPolarHBondContact O-CG 3.4Å; R125-M129 PolarHBondContact O-N 3.39Å; A126-M129 PolarHBondContact O-N 2.9Å; E127-M129 VanDerWaalsContact C-N 3.3Å; E127-M129 PolarHBondContact O-N 3.42Å; M129-L132 HydrophobicContact SD-CD1 4.09Å; M129-K133 VanDerWaalsContact O-CG 3.29Å; M129-K133 WeakPolarHBondContact O-CG 3.32Å; M129-K133 PolarHBondContact O-N 2.99Å; M129-L169 HydrophobicContact SD-CD2 3.66Å; M129-D173 HydrophobicContact CE-CB 4.07Å; M129-D173 HydrophobicContact SD-CB 4.07Å; M129-A176 HydrophobicContact CE-CB 4.19Å; M129-V177 HydrophobicContact CE-CG1 4.1Å; M129-V177 HydrophobicContact CE-CG2 4.43Å
130R96.3Very high88.8Confident118 Ų11856.1 Ų56.145%0.44529%0.294SS..Hα-helixtrans-64.6-49.3173.5-171.6-164.770.576.2-0.3110.9A126 E127 L128 K133 V134A126-R130 PolarHBondContact O-N 3.47Å; E127-R130 VanDerWaalsContact CD-NE 3.28Å; E127-R130 WeakPolarHBondContact O-CB 3.1Å; E127-R130 PolarHBondContact O-N 3.27Å; E127-R130 IonicContact OE1-CZ 2.75Å; E127-R130 IonicContact OE1-NE 2.95Å; E127-R130 PolarHBondContact OE1-NE 3.38Å; E127-R130 IonicContact OE1-NH2 3.85Å; E127-R130 PolarHBondContact OE1-NH2 3.06Å; E127-R130 IonicContact OE2-NE 2.79Å; E127-R130 PolarHBondContact OE2-NE 3.13Å; L128-R130 VanDerWaalsContact C-N 3.3Å; L128-R130 PolarHBondContact O-N 3.33Å; R130-K133 PolarHBondContact O-N 2.91Å; R130-V134 PolarHBondContact O-N 3.48Å
131V95.7Very high90.4Very high2 Ų256.5 Ų56.51%0.01230%0.302CS..Hα-helixtrans-64.6-42.3179.2-1790000110.7F94 E98 L99 V102 E127 L128 K133 V134 L135F94-V131 HydrophobicContact CE1-CG1 4.31Å; F94-V131 HydrophobicContact CE2-CG1 4.1Å; F94-V131 HydrophobicContact CZ-CG1 3.54Å; E98-V131 HydrophobicContact CB-CG1 4.39Å; L99-V131 HydrophobicContact CB-CG1 4.49Å; L99-V131 HydrophobicContact CD1-CB 4.47Å; L99-V131 HydrophobicContact CD1-CG1 3.74Å; V102-V131 HydrophobicContact CG2-CB 4.47Å; V102-V131 HydrophobicContact CG2-CG2 4.31Å; E127-V131 WeakPolarHBondContact O-CG2 3.35Å; E127-V131 PolarHBondContact O-N 2.97Å; L128-V131 PolarHBondContact O-N 3.17Å; V131-K133 VanDerWaalsContact C-N 3.29Å; V131-K133 PolarHBondContact O-N 3.44Å; V131-V134 WeakPolarHBondContact O-CB 3.32Å; V131-V134 PolarHBondContact O-N 2.78Å; V131-V134 VanDerWaalsContact O-N 3.16Å; V131-L135 PolarHBondContact O-N 2.91Å; V131-L135 VanDerWaalsContact O-N 3.15Å
132L96.8Very high91.4Very high0 Ų059.2 Ų59.20%031%0.311CS..Hα-helixtrans-63-32.6176.3-69.7174.4000112.8L99 L128 M129 L135 D136 V161 L169 V177 V180L99-L132 HydrophobicContact CD1-CD2 4.05Å; L128-L132 HydrophobicContact CD1-CD1 3.95Å; L128-L132 HydrophobicContact CD1-CG 4.07Å; L128-L132 HydrophobicContact CG-CD1 3.87Å; L128-L132 HydrophobicContact CG-CG 4.37Å; L128-L132 WeakPolarHBondContact O-CB 3.39Å; L128-L132 VanDerWaalsContact O-CG 3.22Å; L128-L132 WeakPolarHBondContact O-CG 3.34Å; L128-L132 PolarHBondContact O-N 3.11Å; M129-L132 HydrophobicContact SD-CD1 4.09Å; L132-L135 PolarHBondContact O-N 2.74Å; L132-D136 WeakPolarHBondContact O-CB 3.43Å; L132-D136 PolarHBondContact O-N 3.37Å; L132-V161 HydrophobicContact CD2-CG1 3.76Å; L132-L169 HydrophobicContact CD1-CD1 3.75Å; L132-L169 HydrophobicContact CD1-CD2 3.96Å; L132-L169 HydrophobicContact CD1-CG 4.49Å; L132-V177 HydrophobicContact CB-CG1 4.03Å; L132-V180 HydrophobicContact CD2-CG1 4.34Å; L132-V180 WeakPolarHBondContact O-CG2 3.44Å
133K95.2Very high92.2Very high113 Ų11355.4 Ų55.449%0.49130%0.298SS..Hα-helixtrans-67.4-35174.1-79175.4-180-175.70113.2M129 R130 V131 L135 D136 Q137 V177M129-K133 VanDerWaalsContact O-CG 3.29Å; M129-K133 WeakPolarHBondContact O-CG 3.32Å; M129-K133 PolarHBondContact O-N 2.99Å; R130-K133 PolarHBondContact O-N 2.91Å; V131-K133 VanDerWaalsContact C-N 3.29Å; V131-K133 PolarHBondContact O-N 3.44Å; K133-L135 VanDerWaalsContact C-N 3.34Å; K133-D136 WeakPolarHBondContact O-CB 3.47Å; K133-D136 PolarHBondContact O-N 3.44Å; K133-Q137 WeakPolarHBondContact O-CG 3.46Å; K133-Q137 PolarHBondContact O-N 3.5Å; K133-Q137 VanDerWaalsContact O-N 3.07Å; K133-V177 HydrophobicContact CG-CG1 4.14Å
134V93.6Very high93.1Very high66 Ų6652.8 Ų52.840%0.428%0.278SS..Hα-helixtrans-64.4-44173.6176.70000110R130 V131 D136 Q137 A138R130-V134 PolarHBondContact O-N 3.48Å; V131-V134 WeakPolarHBondContact O-CB 3.32Å; V131-V134 PolarHBondContact O-N 2.78Å; V131-V134 VanDerWaalsContact O-N 3.16Å; V134-D136 VanDerWaalsContact C-N 3.33Å; V134-Q137 PolarHBondContact O-N 2.78Å; V134-A138 PolarHBondContact O-N 3.47Å; V134-A138 VanDerWaalsContact O-N 3.15Å
135L96.4Very high93.7Very high0 Ų052.2 Ų52.20%027%0.274CS..Hα-helixtrans-63.4-39.4174.6-175.662.7000111.9W91 F94 L99 V131 L132 K133 Q137 A138 L139 L145 V157 V180 W183W91-L135 HydrophobicContact CE3-CD1 4.39Å; W91-L135 HydrophobicContact CH2-CD1 4.07Å; W91-L135 HydrophobicContact CZ3-CD1 3.7Å; F94-L135 HydrophobicContact CE1-CB 4.46Å; F94-L135 HydrophobicContact CE1-CD1 4.36Å; L99-L135 HydrophobicContact CD2-CD2 4.29Å; V131-L135 PolarHBondContact O-N 2.91Å; V131-L135 VanDerWaalsContact O-N 3.15Å; L132-L135 PolarHBondContact O-N 2.74Å; K133-L135 VanDerWaalsContact C-N 3.34Å; L135-Q137 PolarHBondContact O-N 2.79Å; L135-A138 PolarHBondContact O-N 2.82Å; L135-L139 HydrophobicContact CD1-CD1 4.03Å; L135-L139 HydrophobicContact CD1-CG 4.42Å; L135-L139 HydrophobicContact CG-CD1 3.85Å; L135-L139 WeakPolarHBondContact O-CB 3.45Å; L135-L139 WeakPolarHBondContact O-CG 3.3Å; L135-L139 PolarHBondContact O-N 2.86Å; L135-L145 HydrophobicContact CD1-CD2 3.73Å; L135-V157 HydrophobicContact CD1-CG1 3.99Å; L135-V157 HydrophobicContact CD2-CG1 3.52Å; L135-V157 HydrophobicContact CG-CG1 4.42Å; L135-V180 HydrophobicContact CB-CG2 4.09Å; L135-V180 HydrophobicContact CD2-CG1 4.04Å; L135-V180 HydrophobicContact CD2-CG2 4.16Å; L135-V180 HydrophobicContact CG-CG2 3.96Å; L135-W183 HydrophobicContact CD2-CZ3 4.31Å
136D97.2Very high94.1Very high22 Ų2249.1 Ų49.112%0.11826%0.262CS..Hα-helixtrans-60.5-44.6178.2-160.578.1000112.2L132 K133 V134 L139 A140 V177 T178 N179 V180L132-D136 WeakPolarHBondContact O-CB 3.43Å; L132-D136 PolarHBondContact O-N 3.37Å; K133-D136 WeakPolarHBondContact O-CB 3.47Å; K133-D136 PolarHBondContact O-N 3.44Å; V134-D136 VanDerWaalsContact C-N 3.33Å; D136-L139 PolarHBondContact O-N 3.37Å; D136-A140 PolarHBondContact O-N 2.96Å; D136-V177 HydrophobicContact CB-CB 4.33Å; D136-V177 HydrophobicContact CB-CG1 4.26Å; D136-V177 WeakPolarHBondContact OD1-CA 3.4Å; D136-T178 PolarHBondContact OD1-N 3.22Å; D136-N179 WeakPolarHBondContact O-CB 3.37Å; D136-N179 WeakPolarHBondContact OD1-CA 3.34Å; D136-N179 WeakPolarHBondContact OD1-CB 3.27Å; D136-N179 PolarHBondContact OD1-N 3.42Å; D136-N179 PolarHBondContact OD2-ND2 2.92Å; D136-V180 VanDerWaalsContact CA-CG2 3.43Å; D136-V180 HydrophobicContact CB-CG2 3.67Å; D136-V180 PolarHBondContact OD1-N 3.26Å
137Q94.5Very high94.3Very high146 Ų14647.3 Ų47.368%0.68225%0.251SS*.Hα-helixtrans-63.8-41.1175.5-71.6175.4-6.700112K133 V134 L135 L139 A140K133-Q137 WeakPolarHBondContact O-CG 3.46Å; K133-Q137 PolarHBondContact O-N 3.5Å; K133-Q137 VanDerWaalsContact O-N 3.07Å; V134-Q137 PolarHBondContact O-N 2.78Å; L135-Q137 PolarHBondContact O-N 2.79Å; Q137-L139 VanDerWaalsContact C-N 3.27Å; Q137-L139 PolarHBondContact O-N 3.21Å; Q137-A140 WeakPolarHBondContact O-CB 3.46Å; Q137-A140 PolarHBondContact O-N 3.37Å
138A92.4Very high94.2Very high28 Ų2852.4 Ų52.423%0.23127%0.274CS..Hα-helixtrans-65.9-31178.200000112.8W91 V134 L135W91-A138 HydrophobicContact CH2-CB 3.62Å; W91-A138 HydrophobicContact CZ2-CB 3.97Å; V134-A138 PolarHBondContact O-N 3.47Å; V134-A138 VanDerWaalsContact O-N 3.15Å; L135-A138 PolarHBondContact O-N 2.82Å
139L96.5Very high94Very high0 Ų055 Ų550%029%0.293CS..Hα-helixtrans-89.3-7.5178.5-74.5168000113.9L135 D136 Q137 R142 L145 N179 V180 R182 W183L135-L139 HydrophobicContact CD1-CD1 4.03Å; L135-L139 HydrophobicContact CD1-CG 4.42Å; L135-L139 HydrophobicContact CG-CD1 3.85Å; L135-L139 WeakPolarHBondContact O-CB 3.45Å; L135-L139 WeakPolarHBondContact O-CG 3.3Å; L135-L139 PolarHBondContact O-N 2.86Å; D136-L139 PolarHBondContact O-N 3.37Å; Q137-L139 VanDerWaalsContact C-N 3.27Å; Q137-L139 PolarHBondContact O-N 3.21Å; L139-R142 PolarHBondContact O-N 2.7Å; L139-L145 HydrophobicContact CD1-CD2 4.31Å; L139-L145 HydrophobicContact CD2-CD2 3.52Å; L139-L145 HydrophobicContact CD2-CG 4.04Å; L139-L145 HydrophobicContact CG-CD2 3.83Å; L139-N179 HydrophobicContact CB-CB 4.13Å; L139-V180 HydrophobicContact CD1-CG2 4.27Å; L139-R182 PolarHBondContact O-NH2 3.42Å; L139-R182 VanDerWaalsContact O-NH2 3.15Å; L139-W183 HydrophobicContact CD1-CB 3.8Å; L139-W183 HydrophobicContact CD1-CD2 3.56Å; L139-W183 HydrophobicContact CD1-CE3 3.66Å; L139-W183 HydrophobicContact CD1-CG 3.63Å; L139-W183 HydrophobicContact CD1-CZ3 4.47Å; L139-W183 HydrophobicContact CD2-CB 4.1Å; L139-W183 HydrophobicContact CD2-CD2 4.14Å; L139-W183 HydrophobicContact CD2-CG 3.65Å; L139-W183 HydrophobicContact CG-CB 4.46Å; L139-W183 HydrophobicContact CG-CG 4.28Å
140A93.5Very high93.9Very high56 Ų5654.4 Ų54.446%0.46329%0.29SS..THydrogen-bonded Turntrans-57.3-43.5-179.300000113.2D136 Q137D136-A140 PolarHBondContact O-N 2.96Å; Q137-A140 WeakPolarHBondContact O-CB 3.46Å; Q137-A140 PolarHBondContact O-N 3.37Å
141P91.5Very high94Very high107 Ų10749 Ų4970%0.69527%0.27SS*.THydrogen-bonded Turntrans-958.3177.534.5-28.3000114
142R90.1Very high94Very high108 Ų10848.9 Ų48.941%0.40827%0.269SS..  trans-133.1140.5-166.6-56.3-176-178.2171.35.6113.9L139 Y144 L145 R182L139-R142 PolarHBondContact O-N 2.7Å; R142-Y144 VanDerWaalsContact CB-O 3.3Å; R142-Y144 WeakPolarHBondContact CB-O 3.49Å; R142-L145 PolarHBondContact NH1-O 2.94Å; R142-R182 PolarHBondContact O-NH2 2.85Å
143T90.7Very high94.1Very high71 Ų7148.9 Ų48.944%0.43627%0.269SS..SBendtrans-76.4-38.9171.9-55.40000111.8
144Y95.8Very high94.2Very high33 Ų3343.5 Ų43.513%0.12925%0.246CC..SBendtrans-129.8161.9177.7-61.5-71.6000110.6R142 V146 S149 L150 D154 T186R142-Y144 VanDerWaalsContact CB-O 3.3Å; R142-Y144 WeakPolarHBondContact CB-O 3.49Å; Y144-V146 PolarHBondContact O-N 3.47Å; Y144-S149 VanDerWaalsContact CD2-C 3.49Å; Y144-L150 HydrophobicContact CD1-CB 4Å; Y144-L150 HydrophobicContact CD1-CG 4.39Å; Y144-L150 HydrophobicContact CE1-CB 3.79Å; Y144-L150 HydrophobicContact CE1-CD1 4.24Å; Y144-L150 HydrophobicContact CE1-CG 4.28Å; Y144-D154 WeakPolarHBondContact CA-OD1 3.29Å; Y144-T186 HydrophobicContact CE1-CG2 4.39Å
145L96.3Very high94.4Very high1 Ų140.3 Ų40.31%0.00523%0.227CC..SBendtrans-67.5-34.8-174.3-73.6172.7000113.4W91 L135 L139 R142 A153 D154 V157 W183W91-L145 HydrophobicContact CD2-CB 4.48Å; W91-L145 HydrophobicContact CD2-CD1 4.23Å; W91-L145 HydrophobicContact CD2-CD2 4.14Å; W91-L145 HydrophobicContact CE3-CD1 4.45Å; W91-L145 HydrophobicContact CE3-CD2 4.33Å; W91-L145 HydrophobicContact CG-CB 4.34Å; W91-L145 HydrophobicContact CG-CD1 4.31Å; W91-L145 HydrophobicContact CH2-CD2 4.1Å; W91-L145 HydrophobicContact CZ2-CD2 3.87Å; W91-L145 HydrophobicContact CZ3-CD2 4.32Å; L135-L145 HydrophobicContact CD1-CD2 3.73Å; L139-L145 HydrophobicContact CD1-CD2 4.31Å; L139-L145 HydrophobicContact CD2-CD2 3.52Å; L139-L145 HydrophobicContact CD2-CG 4.04Å; L139-L145 HydrophobicContact CG-CD2 3.83Å; R142-L145 PolarHBondContact NH1-O 2.94Å; L145-A153 HydrophobicContact CB-CB 4.03Å; L145-A153 HydrophobicContact CD1-CB 4.36Å; L145-D154 PolarHBondContact N-OD1 2.89Å; L145-V157 HydrophobicContact CD1-CB 3.69Å; L145-V157 HydrophobicContact CD1-CG1 4.09Å; L145-V157 HydrophobicContact CD1-CG2 3.58Å; L145-W183 HydrophobicContact CD1-CH2 4.43Å; L145-W183 HydrophobicContact CD1-CZ2 3.8Å; L145-W183 HydrophobicContact CG-CZ2 4.22Å
146V95.9Very high94.4Very high1 Ų140.5 Ų40.51%0.00623%0.228CC..SBendtrans-135.1121.6-179.4-175.30000110.1Q84 Q87 V88 Y144 T151 A153Q84-V146 HydrophobicContact CB-CG1 3.73Å; Q84-V146 HydrophobicContact CG-CG1 3.91Å; Q87-V146 HydrophobicContact CB-CG1 3.96Å; Q87-V146 HydrophobicContact CB-CG2 3.78Å; V88-V146 HydrophobicContact CG2-CB 4.16Å; V88-V146 HydrophobicContact CG2-CG1 4.11Å; V88-V146 HydrophobicContact CG2-CG2 4.04Å; Y144-V146 PolarHBondContact O-N 3.47Å; V146-T151 HydrophobicContact CB-CG2 4.28Å; V146-T151 WeakPolarHBondContact O-CG2 3.41Å; V146-A153 HydrophobicContact CG2-CB 3.74Å
147G91.1Very high94.4Very high29 Ų2939.5 Ų39.530%0.29922%0.223SC..THydrogen-bonded Turntrans67.9-161.9-179.600000113.7
148E89Confident94.5Very high174 Ų17432.7 Ų32.781%0.81319%0.191SC*.THydrogen-bonded Turntrans-995.4-174.9-61.3-59.2147.900113.3
149S90.3Very high94.7Very high57 Ų5731.5 Ų31.540%0.39918%0.181SC..SBendtrans-139.3156.8-177.966.10000111Y144 T151Y144-S149 VanDerWaalsContact CD2-C 3.49Å; S149-T151 WeakPolarHBondContact O-CG2 3.4Å; S149-T151 PolarHBondContact O-N 3.44Å
150L94.3Very high94.6Very high10 Ų1031.9 Ų31.95%0.05219%0.185CC..  trans-57.2128177-164.9152.3000111.3F24 R77 Y144 D154 M155 Q190 F193F24-L150 HydrophobicContact CE1-CD2 4.49Å; F24-L150 HydrophobicContact CE2-CD2 4.17Å; F24-L150 HydrophobicContact CZ-CD1 4.44Å; F24-L150 HydrophobicContact CZ-CD2 3.94Å; R77-L150 WeakPolarHBondContact CD-O 3.27Å; Y144-L150 HydrophobicContact CD1-CB 4Å; Y144-L150 HydrophobicContact CD1-CG 4.39Å; Y144-L150 HydrophobicContact CE1-CB 3.79Å; Y144-L150 HydrophobicContact CE1-CD1 4.24Å; Y144-L150 HydrophobicContact CE1-CG 4.28Å; L150-D154 HydrophobicContact CD2-CB 4.33Å; L150-D154 HydrophobicContact CG-CB 3.89Å; L150-M155 HydrophobicContact CD2-CE 3.36Å; L150-M155 HydrophobicContact CD2-CG 3.7Å; L150-M155 HydrophobicContact CD2-SD 4.41Å; L150-Q190 HydrophobicContact CD1-CG 3.77Å; L150-F193 HydrophobicContact CD1-CD2 4.46Å; L150-F193 HydrophobicContact CD1-CE2 3.71Å; L150-F193 HydrophobicContact CD1-CZ 4.32Å; L150-F193 HydrophobicContact CD2-CE2 4.11Å
151T96.9Very high94.8Very high4 Ų429.2 Ų29.23%0.02516%0.163CC..  trans-121.3176.8177.763.60000111.4R77 V146 S149 A153 D154 M155R77-T151 CarbonylContact O-C 3.58Å; R77-T151 WeakPolarHBondContact O-CA 3.27Å; R77-T151 WeakPolarHBondContact O-CB 3.45Å; V146-T151 HydrophobicContact CB-CG2 4.28Å; V146-T151 WeakPolarHBondContact O-CG2 3.41Å; S149-T151 WeakPolarHBondContact O-CG2 3.4Å; S149-T151 PolarHBondContact O-N 3.44Å; T151-A153 PolarHBondContact O-N 3.34Å; T151-A153 WeakPolarHBondContact OG1-CB 3.19Å; T151-A153 PolarHBondContact OG1-N 3.43Å; T151-D154 PolarHBondContact N-OD2 2.81Å; T151-D154 WeakPolarHBondContact O-CB 3.24Å; T151-D154 PolarHBondContact O-N 2.87Å; T151-D154 PolarHBondContact OG1-OD2 3.48Å; T151-D154 VanDerWaalsContact OG1-OD2 3.05Å; T151-M155 WeakPolarHBondContact O-CG 3.23Å; T151-M155 PolarHBondContact O-N 2.89Å
152L97.2Very high94.9Very high0 Ų024.3 Ų24.30%013%0.131CC..Hα-helixtrans-59-26.2172.1-175.965.5000112.9L17 A21 A68 W69 A72 R77 V88 L92 D154 M155 A156L17-L152 HydrophobicContact CD1-CD1 4.13Å; A21-L152 HydrophobicContact CB-CD1 4.45Å; A68-L152 HydrophobicContact CB-CD1 3.7Å; W69-L152 HydrophobicContact CB-CD2 4.15Å; W69-L152 HydrophobicContact CE3-CD2 3.87Å; A72-L152 HydrophobicContact CB-CB 3.78Å; A72-L152 HydrophobicContact CB-CD1 3.98Å; A72-L152 HydrophobicContact CB-CD2 3.97Å; A72-L152 HydrophobicContact CB-CG 4.12Å; R77-L152 PolarHBondContact O-N 2.95Å; V88-L152 HydrophobicContact CG1-CB 3.87Å; V88-L152 HydrophobicContact CG1-CD2 4.41Å; V88-L152 HydrophobicContact CG1-CG 4.46Å; L92-L152 HydrophobicContact CD1-CB 4.5Å; L92-L152 HydrophobicContact CD1-CD2 3.97Å; L92-L152 HydrophobicContact CD1-CG 3.91Å; L92-L152 HydrophobicContact CD2-CD2 3.86Å; L92-L152 HydrophobicContact CD2-CG 4.41Å; L92-L152 HydrophobicContact CG-CD2 4.43Å; L152-D154 VanDerWaalsContact C-N 3.29Å; L152-D154 PolarHBondContact O-N 3.05Å; L152-M155 HydrophobicContact CD1-CB 4.32Å; L152-M155 HydrophobicContact CD1-SD 4.15Å; L152-M155 PolarHBondContact O-N 2.89Å; L152-A156 WeakPolarHBondContact O-CB 3.43Å; L152-A156 PolarHBondContact O-N 3.45Å
153A97.4Very high95.1Very high0 Ų019.6 Ų19.60%011%0.113CC..Hα-helixtrans-57.2-47.4171.800000110.7V88 W91 L145 V146 T151 A156 V157V88-A153 HydrophobicContact CG2-CB 4.29Å; W91-A153 HydrophobicContact CB-CB 3.59Å; W91-A153 HydrophobicContact CG-CB 4Å; L145-A153 HydrophobicContact CB-CB 4.03Å; L145-A153 HydrophobicContact CD1-CB 4.36Å; V146-A153 HydrophobicContact CG2-CB 3.74Å; T151-A153 PolarHBondContact O-N 3.34Å; T151-A153 WeakPolarHBondContact OG1-CB 3.19Å; T151-A153 PolarHBondContact OG1-N 3.43Å; A153-A156 PolarHBondContact O-N 3.42Å; A153-V157 WeakPolarHBondContact O-CB 3.2Å; A153-V157 VanDerWaalsContact O-CG2 3.31Å; A153-V157 WeakPolarHBondContact O-CG2 3.3Å; A153-V157 PolarHBondContact O-N 3.33Å
154D97.9Very high95.3Very high0 Ų016.2 Ų16.20%09%0.092CC..Hα-helixtrans-66.1-42.3-179.7-58-83.1000111.5Y144 L145 L150 T151 L152 A158 W183Y144-D154 WeakPolarHBondContact CA-OD1 3.29Å; L145-D154 PolarHBondContact N-OD1 2.89Å; L150-D154 HydrophobicContact CD2-CB 4.33Å; L150-D154 HydrophobicContact CG-CB 3.89Å; T151-D154 PolarHBondContact N-OD2 2.81Å; T151-D154 WeakPolarHBondContact O-CB 3.24Å; T151-D154 PolarHBondContact O-N 2.87Å; T151-D154 PolarHBondContact OG1-OD2 3.48Å; T151-D154 VanDerWaalsContact OG1-OD2 3.05Å; L152-D154 VanDerWaalsContact C-N 3.29Å; L152-D154 PolarHBondContact O-N 3.05Å; D154-A158 WeakPolarHBondContact O-CB 3.24Å; D154-A158 PolarHBondContact O-N 3.32Å; D154-W183 HydrophobicContact CB-CZ2 4.22Å; D154-W183 PolarHBondContact OD1-NE1 3.21Å
155M97.3Very high95.2Very high0 Ų014.6 Ų14.60%09%0.086CC..Hα-helixtrans-59.8-51.3176.7-56.6172.6-163.800111.5L17 I20 A21 F24 R77 L150 T151 L152 A158 T159 F193L17-M155 HydrophobicContact CD1-CB 3.68Å; I20-M155 HydrophobicContact CG2-CB 4.37Å; I20-M155 HydrophobicContact CG2-CG 3.96Å; I20-M155 HydrophobicContact CG2-SD 4.16Å; A21-M155 HydrophobicContact CB-SD 4.19Å; F24-M155 HydrophobicContact CB-CE 4.21Å; F24-M155 HydrophobicContact CD1-CE 4.38Å; F24-M155 HydrophobicContact CD2-CE 3.26Å; F24-M155 HydrophobicContact CD2-SD 4.13Å; F24-M155 HydrophobicContact CE2-CE 3.6Å; F24-M155 HydrophobicContact CE2-SD 4.45Å; F24-M155 HydrophobicContact CG-CE 3.7Å; F24-M155 HydrophobicContact CZ-CE 4.28Å; R77-M155 HydrophobicContact CB-CE 4.06Å; R77-M155 HydrophobicContact CG-CE 4.13Å; L150-M155 HydrophobicContact CD2-CE 3.36Å; L150-M155 HydrophobicContact CD2-CG 3.7Å; L150-M155 HydrophobicContact CD2-SD 4.41Å; T151-M155 WeakPolarHBondContact O-CG 3.23Å; T151-M155 PolarHBondContact O-N 2.89Å; L152-M155 HydrophobicContact CD1-CB 4.32Å; L152-M155 HydrophobicContact CD1-SD 4.15Å; L152-M155 PolarHBondContact O-N 2.89Å; M155-A158 PolarHBondContact O-N 3.35Å; M155-T159 WeakPolarHBondContact O-CB 3.23Å; M155-T159 PolarHBondContact O-N 3.36Å; M155-T159 PolarHBondContact O-OG1 3.04Å; M155-F193 HydrophobicContact CB-CZ 4.35Å; M155-F193 HydrophobicContact CG-CE2 4.22Å; M155-F193 HydrophobicContact CG-CZ 4.04Å
156A97.1Very high95Very high4 Ų417.2 Ų17.23%0.03310%0.097CC..Hα-helixtrans-62.6-47.6-177.400000111.9L17 L92 A95 L152 A153 A160L17-A156 HydrophobicContact CD1-CB 4.2Å; L17-A156 HydrophobicContact CD2-CB 4.13Å; L92-A156 HydrophobicContact CD1-CB 4.48Å; L92-A156 HydrophobicContact CG-CB 4.16Å; A95-A156 HydrophobicContact CB-CB 4.04Å; L152-A156 WeakPolarHBondContact O-CB 3.43Å; L152-A156 PolarHBondContact O-N 3.45Å; A153-A156 PolarHBondContact O-N 3.42Å; A156-A160 WeakPolarHBondContact O-CB 3.29Å; A156-A160 PolarHBondContact O-N 2.74Å
157V97.4Very high94.8Very high0 Ų018.8 Ų18.80%010%0.103CC..Hα-helixtrans-69.2-39.4-179.3179.50000111W91 A95 L99 L135 L145 A153 A160 V161 W183W91-V157 HydrophobicContact CB-CG2 4.27Å; W91-V157 HydrophobicContact CE3-CG2 4.3Å; A95-V157 HydrophobicContact CB-CG2 4.1Å; L99-V157 HydrophobicContact CD2-CG1 3.67Å; L135-V157 HydrophobicContact CD1-CG1 3.99Å; L135-V157 HydrophobicContact CD2-CG1 3.52Å; L135-V157 HydrophobicContact CG-CG1 4.42Å; L145-V157 HydrophobicContact CD1-CB 3.69Å; L145-V157 HydrophobicContact CD1-CG1 4.09Å; L145-V157 HydrophobicContact CD1-CG2 3.58Å; A153-V157 WeakPolarHBondContact O-CB 3.2Å; A153-V157 VanDerWaalsContact O-CG2 3.31Å; A153-V157 WeakPolarHBondContact O-CG2 3.3Å; A153-V157 PolarHBondContact O-N 3.33Å; V157-A160 PolarHBondContact O-N 3.05Å; V157-V161 WeakPolarHBondContact O-CG2 3.13Å; V157-V161 PolarHBondContact O-N 3.11Å; V157-V161 VanDerWaalsContact O-N 3.12Å; V157-W183 HydrophobicContact CB-CH2 3.76Å; V157-W183 HydrophobicContact CB-CZ2 4.22Å; V157-W183 HydrophobicContact CG1-CH2 3.5Å; V157-W183 VanDerWaalsContact CG1-CH2 3.5Å; V157-W183 HydrophobicContact CG1-CZ2 4.28Å; V157-W183 HydrophobicContact CG1-CZ3 4.08Å
158A96.4Very high94.7Very high3 Ų317.5 Ų17.53%0.0259%0.09CC..Hα-helixtrans-66.9-41.3-179.500000110.8D154 M155 A160 V161 L162 W183 F184 C187 F193D154-A158 WeakPolarHBondContact O-CB 3.24Å; D154-A158 PolarHBondContact O-N 3.32Å; M155-A158 PolarHBondContact O-N 3.35Å; A158-A160 VanDerWaalsContact C-N 3.34Å; A158-V161 WeakPolarHBondContact O-CG2 3.5Å; A158-V161 PolarHBondContact O-N 3.4Å; A158-L162 PolarHBondContact O-N 3.35Å; A158-W183 HydrophobicContact CB-CH2 3.85Å; A158-W183 HydrophobicContact CB-CZ2 4.24Å; A158-F184 HydrophobicContact CB-CD2 4.31Å; A158-F184 WeakPolarHBondContact O-CE2 3.37Å; A158-C187 HydrophobicContact CB-CB 4.16Å; A158-F193 HydrophobicContact CB-CE1 3.98Å; A158-F193 HydrophobicContact CB-CZ 4.47Å
159T95.4Very high95Very high4 Ų49.2 Ų9.23%0.0255%0.051CC..Hα-helixtrans-67.3-34.8175.9-58.70000112.1F13 L16 L17 M155 L162F13-T159 HydrophobicContact CB-CG2 3.72Å; F13-T159 WeakPolarHBondContact O-CG2 3.38Å; L16-T159 HydrophobicContact CB-CG2 4.05Å; L17-T159 HydrophobicContact CB-CG2 4.12Å; M155-T159 WeakPolarHBondContact O-CB 3.23Å; M155-T159 PolarHBondContact O-N 3.36Å; M155-T159 PolarHBondContact O-OG1 3.04Å; T159-L162 WeakPolarHBondContact O-CB 3.19Å; T159-L162 PolarHBondContact O-N 3.14Å
160A95.9Very high95.1Very high8 Ų88.5 Ų8.57%0.0664%0.042CC..Hα-helixtrans-65.7-35.717500000113.2A95 L99 S103 A156 V157 A158A95-A160 HydrophobicContact CB-CB 4.3Å; L99-A160 HydrophobicContact CB-CB 4.36Å; L99-A160 HydrophobicContact CD2-CB 4.13Å; L99-A160 HydrophobicContact CG-CB 4.14Å; S103-A160 WeakPolarHBondContact CB-O 3.06Å; S103-A160 PolarHBondContact OG-O 3.22Å; A156-A160 WeakPolarHBondContact O-CB 3.29Å; A156-A160 PolarHBondContact O-N 2.74Å; V157-A160 PolarHBondContact O-N 3.05Å; A158-A160 VanDerWaalsContact C-N 3.34Å
161V96.1Very high95.1Very high0 Ų010.2 Ų10.20%05%0.053CC..Hα-helixtrans-92-3.6177.8-56.60000114.6L99 L132 V157 A158 L163 P164 F165 W183 F184L99-V161 HydrophobicContact CD1-CG1 3.8Å; L99-V161 HydrophobicContact CD2-CG1 3.29Å; L99-V161 HydrophobicContact CG-CG1 3.67Å; L132-V161 HydrophobicContact CD2-CG1 3.76Å; V157-V161 WeakPolarHBondContact O-CG2 3.13Å; V157-V161 PolarHBondContact O-N 3.11Å; V157-V161 VanDerWaalsContact O-N 3.12Å; A158-V161 WeakPolarHBondContact O-CG2 3.5Å; A158-V161 PolarHBondContact O-N 3.4Å; V161-L163 PolarHBondContact O-N 2.91Å; V161-P164 WeakPolarHBondContact O-CB 3.28Å; V161-P164 WeakPolarHBondContact O-CD 3.45Å; V161-F165 HydrophobicContact CB-CD2 4.01Å; V161-F165 HydrophobicContact CB-CE2 4.22Å; V161-F165 HydrophobicContact CG2-CD2 3.9Å; V161-F165 HydrophobicContact CG2-CE2 4Å; V161-F165 WeakPolarHBondContact O-CD2 3.27Å; V161-F165 PolarHBondContact O-N 3.5Å; V161-W183 HydrophobicContact CG2-CZ3 4.38Å; V161-F184 HydrophobicContact CG2-CD2 3.55Å; V161-F184 HydrophobicContact CG2-CE2 3.81Å; V161-F184 HydrophobicContact CG2-CG 4.41Å
162L94.9Very high94.8Very high4 Ų413.7 Ų13.72%0.0218%0.078CC..Hα-helixtrans-54.1-51-176.8177.261.4000112.2L16 A158 T159 F165 K166 F184 L197 I200L16-L162 HydrophobicContact CD1-CD2 3.66Å; A158-L162 PolarHBondContact O-N 3.35Å; T159-L162 WeakPolarHBondContact O-CB 3.19Å; T159-L162 PolarHBondContact O-N 3.14Å; L162-F165 PolarHBondContact O-N 3.02Å; L162-K166 WeakPolarHBondContact O-CB 3.31Å; L162-K166 PolarHBondContact O-N 3.46Å; L162-F184 HydrophobicContact CD1-CE2 4.45Å; L162-F184 HydrophobicContact CD1-CZ 3.91Å; L162-L197 HydrophobicContact CD1-CD1 4.32Å; L162-L197 HydrophobicContact CD2-CD1 4.38Å; L162-L197 HydrophobicContact CD2-CD2 3.77Å; L162-I200 HydrophobicContact CD1-CD1 4.3Å; L162-I200 HydrophobicContact CD1-CG1 4.31Å; L162-I200 HydrophobicContact CD1-CG2 4.42Å
163L93.3Very high94.6Very high8 Ų814.8 Ų14.84%0.0428%0.084CC..Hα-helixtrans-66.2-42.9-178.2-56.1-176.9000112.2D11 F13 V107 F108 V161 F165 K166 Y167D11-L163 HydrophobicContact CB-CD2 3.85Å; F13-L163 HydrophobicContact CD1-CD1 4.23Å; V107-L163 HydrophobicContact CB-CB 4.24Å; V107-L163 HydrophobicContact CG1-CB 3.85Å; V107-L163 HydrophobicContact CG2-CB 4.15Å; F108-L163 HydrophobicContact CE1-CD1 4.16Å; V161-L163 PolarHBondContact O-N 2.91Å; L163-F165 PolarHBondContact O-N 3.08Å; L163-K166 PolarHBondContact O-N 3.24Å; L163-Y167 HydrophobicContact CB-CD2 4.36Å; L163-Y167 HydrophobicContact CD2-CD2 4.38Å; L163-Y167 HydrophobicContact CD2-CE2 3.99Å; L163-Y167 WeakPolarHBondContact O-CB 3.3Å; L163-Y167 WeakPolarHBondContact O-CD2 3.42Å; L163-Y167 PolarHBondContact O-N 3.35Å
164P94.9Very high94.5Very high0 Ų016 Ų160%09%0.089CC..Hα-helixtrans-53.1-47.2168.8-31.733.7000114.5S103 V107 L128 V161 K166 Y167 A168 L169S103-P164 VanDerWaalsContact CB-CG 3.48Å; S103-P164 WeakPolarHBondContact OG-CG 3.41Å; V107-P164 HydrophobicContact CG2-CB 4.46Å; V107-P164 HydrophobicContact CG2-CG 4.04Å; L128-P164 HydrophobicContact CD1-CG 4.24Å; L128-P164 HydrophobicContact CD2-CB 4.05Å; L128-P164 HydrophobicContact CD2-CG 4.26Å; V161-P164 WeakPolarHBondContact O-CB 3.28Å; V161-P164 WeakPolarHBondContact O-CD 3.45Å; P164-K166 VanDerWaalsContact C-N 3.31Å; P164-K166 PolarHBondContact O-N 3.35Å; P164-Y167 PolarHBondContact O-N 3.18Å; P164-A168 CarbonylContact O-C 3.56Å; P164-A168 WeakPolarHBondContact O-CA 3.13Å; P164-A168 PolarHBondContact O-N 3.46Å; P164-L169 HydrophobicContact CB-CD1 4.07Å; P164-L169 HydrophobicContact CB-CG 4.1Å; P164-L169 PolarHBondContact O-N 3.02Å
165F94.7Very high94.2Very high0 Ų023.9 Ų23.90%012%0.123CC..Hα-helixtrans-65.7-34179.2-91.4-91000112.8V161 L162 L163 L169 R174 V180 T181 F184 L202 C203V161-F165 HydrophobicContact CB-CD2 4.01Å; V161-F165 HydrophobicContact CB-CE2 4.22Å; V161-F165 HydrophobicContact CG2-CD2 3.9Å; V161-F165 HydrophobicContact CG2-CE2 4Å; V161-F165 WeakPolarHBondContact O-CD2 3.27Å; V161-F165 PolarHBondContact O-N 3.5Å; L162-F165 PolarHBondContact O-N 3.02Å; L163-F165 PolarHBondContact O-N 3.08Å; F165-L169 HydrophobicContact CD1-CD1 4.42Å; F165-L169 HydrophobicContact CD2-CD1 3.68Å; F165-L169 HydrophobicContact CE1-CD1 4.41Å; F165-L169 HydrophobicContact CE2-CD1 3.66Å; F165-L169 HydrophobicContact CG-CD1 4.08Å; F165-L169 HydrophobicContact CZ-CD1 4.04Å; F165-R174 HydrophobicContact CD1-CG 4.42Å; F165-R174 HydrophobicContact CE1-CG 4.06Å; F165-V180 HydrophobicContact CE2-CG1 4.03Å; F165-V180 HydrophobicContact CZ-CG1 4.04Å; F165-T181 HydrophobicContact CE1-CG2 4.24Å; F165-F184 HydrophobicContact CB-CD1 4.09Å; F165-F184 HydrophobicContact CB-CE1 3.44Å; F165-F184 VanDerWaalsContact CB-CE1 3.44Å; F165-F184 HydrophobicContact CB-CZ 3.73Å; F165-F184 AromaticContact CD1-CD1 3.51Å; F165-F184 HydrophobicContact CD1-CD1 3.51Å; F165-F184 AromaticContact CD1-CE1 3.73Å; F165-F184 HydrophobicContact CD1-CE1 3.73Å; F165-F184 HydrophobicContact CD1-CG 4.29Å; F165-F184 AromaticContact CD2-CD1 3.91Å; F165-F184 HydrophobicContact CD2-CD1 3.91Å; F165-F184 HydrophobicContact CD2-CD2 4.24Å; F165-F184 HydrophobicContact CD2-CE1 4.03Å; F165-F184 HydrophobicContact CD2-CE2 4.36Å; F165-F184 HydrophobicContact CD2-CG 4.01Å; F165-F184 HydrophobicContact CD2-CZ 4.26Å; F165-F184 HydrophobicContact CE1-CB 4.4Å; F165-F184 AromaticContact CE1-CD1 3.83Å; F165-F184 HydrophobicContact CE1-CD1 3.83Å; F165-F184 HydrophobicContact CE1-CG 4.32Å; F165-F184 HydrophobicContact CE2-CB 4.22Å; F165-F184 HydrophobicContact CE2-CD1 4.21Å; F165-F184 HydrophobicContact CE2-CD2 4.48Å; F165-F184 HydrophobicContact CE2-CG 4.04Å; F165-F184 AromaticContact CG-CD1 3.55Å; F165-F184 HydrophobicContact CG-CD1 3.55Å; F165-F184 AromaticContact CG-CE1 3.46Å; F165-F184 HydrophobicContact CG-CE1 3.46Å; F165-F184 VanDerWaalsContact CG-CE1 3.46Å; F165-F184 HydrophobicContact CG-CG 4.14Å; F165-F184 AromaticContact CG-CZ 3.98Å; F165-F184 HydrophobicContact CG-CZ 3.98Å; F165-F184 HydrophobicContact CZ-CB 4.08Å; F165-F184 HydrophobicContact CZ-CD1 4.18Å; F165-F184 HydrophobicContact CZ-CG 4.2Å; F165-L202 HydrophobicContact CB-CD2 4.23Å; F165-L202 HydrophobicContact CD1-CD2 4.22Å; F165-C203 PolarHBondContact O-N 2.94Å
166K91.4Very high94Very high55 Ų5526.6 Ų26.624%0.23915%0.145CC..Hα-helixtrans-76.4-34.9179.7-163.4173.2175.6-1700112.8D11 L162 L163 P164 C203D11-K166 IonicContact OD1-NZ 2.69Å; D11-K166 PolarHBondContact OD1-NZ 3.1Å; D11-K166 IonicContact OD2-NZ 3.85Å; L162-K166 WeakPolarHBondContact O-CB 3.31Å; L162-K166 PolarHBondContact O-N 3.46Å; L163-K166 PolarHBondContact O-N 3.24Å; P164-K166 VanDerWaalsContact C-N 3.31Å; P164-K166 PolarHBondContact O-N 3.35Å; K166-C203 WeakPolarHBondContact O-CB 3.42Å
167Y91.1Very high93.9Very high34 Ų3426.4 Ų26.413%0.13314%0.144CC..Hα-helixtrans-128.8-16.9-166-57.3-58.4000116.6D11 V107 M111 L163 P164 C203 V209D11-Y167 PolarHBondContact OD2-OH 3.15Å; V107-Y167 HydrophobicContact CG1-CD2 3.81Å; V107-Y167 HydrophobicContact CG1-CG 4.31Å; M111-Y167 HydrophobicContact CE-CE2 4.43Å; M111-Y167 HydrophobicContact CG-CD2 4.49Å; M111-Y167 HydrophobicContact SD-CD2 4.26Å; M111-Y167 HydrophobicContact SD-CE2 4.16Å; L163-Y167 HydrophobicContact CB-CD2 4.36Å; L163-Y167 HydrophobicContact CD2-CD2 4.38Å; L163-Y167 HydrophobicContact CD2-CE2 3.99Å; L163-Y167 WeakPolarHBondContact O-CB 3.3Å; L163-Y167 WeakPolarHBondContact O-CD2 3.42Å; L163-Y167 PolarHBondContact O-N 3.35Å; P164-Y167 PolarHBondContact O-N 3.18Å; Y167-C203 VanDerWaalsContact C-SG 3.52Å; Y167-C203 PolarHBondContact O-SG 2.95Å; Y167-V209 HydrophobicContact CD1-CB 4.21Å; Y167-V209 HydrophobicContact CD1-CG1 3.76Å; Y167-V209 HydrophobicContact CD1-CG2 3.39Å; Y167-V209 HydrophobicContact CE1-CB 4.38Å; Y167-V209 HydrophobicContact CE1-CG1 3.45Å; Y167-V209 VanDerWaalsContact CE1-CG1 3.45Å; Y167-V209 HydrophobicContact CE1-CG2 4.02Å; Y167-V209 HydrophobicContact CG-CG2 3.85Å
168A90.8Very high93.8Very high2 Ų230.5 Ų30.52%0.01717%0.168CC..THydrogen-bonded Turntrans-130.1-24.2-168.700000116.3V106 V107 L110 P164 V206V106-A168 HydrophobicContact CG1-CB 3.65Å; V107-A168 HydrophobicContact CG2-CB 4.08Å; L110-A168 HydrophobicContact CD1-CB 3.76Å; P164-A168 CarbonylContact O-C 3.56Å; P164-A168 WeakPolarHBondContact O-CA 3.13Å; P164-A168 PolarHBondContact O-N 3.46Å; A168-V206 WeakPolarHBondContact O-CG2 3.37Å
169L93.4Very high93.8Very high0 Ų032.4 Ų32.40%018%0.178CC..  trans-96.8100.2-176.7-63.6179.4000111L128 M129 L132 P164 F165 D173 R174L128-L169 HydrophobicContact CD2-CD2 4.29Å; M129-L169 HydrophobicContact SD-CD2 3.66Å; L132-L169 HydrophobicContact CD1-CD1 3.75Å; L132-L169 HydrophobicContact CD1-CD2 3.96Å; L132-L169 HydrophobicContact CD1-CG 4.49Å; P164-L169 HydrophobicContact CB-CD1 4.07Å; P164-L169 HydrophobicContact CB-CG 4.1Å; P164-L169 PolarHBondContact O-N 3.02Å; F165-L169 HydrophobicContact CD1-CD1 4.42Å; F165-L169 HydrophobicContact CD2-CD1 3.68Å; F165-L169 HydrophobicContact CE1-CD1 4.41Å; F165-L169 HydrophobicContact CE2-CD1 3.66Å; F165-L169 HydrophobicContact CG-CD1 4.08Å; F165-L169 HydrophobicContact CZ-CD1 4.04Å; L169-D173 HydrophobicContact CB-CB 4.35Å; L169-D173 HydrophobicContact CD2-CB 3.97Å; L169-R174 HydrophobicContact CB-CG 4.14Å; L169-R174 PolarHBondContact O-NH1 3.14Å
170E93.7Very high94Very high42 Ų4232.2 Ų32.220%0.19618%0.177CC..  trans-69.7166.9176.9-83.2165.4154.200112.1R125 S172 D173 R174 K205 V206R125-E170 IonicContact CZ-OE2 3.81Å; R125-E170 IonicContact NH1-OE2 2.82Å; R125-E170 IonicContact NH2-OE2 3.5Å; R125-E170 PolarHBondContact NH2-OE2 2.82Å; E170-S172 PolarHBondContact O-N 3.39Å; E170-S172 VanDerWaalsContact O-N 3.08Å; E170-D173 PolarHBondContact N-OD2 3.31Å; E170-D173 VanDerWaalsContact N-OD2 3.09Å; E170-D173 PolarHBondContact O-N 2.92Å; E170-R174 PolarHBondContact O-N 2.82Å; E170-K205 WeakPolarHBondContact OE1-CA 3.4Å; E170-V206 HydrophobicContact CG-CB 4.5Å; E170-V206 HydrophobicContact CG-CG2 3.67Å; E170-V206 PolarHBondContact OE1-N 3.25Å
171P93.8Very high94Very high46 Ų4633 Ų3330%0.29918%0.181SC..Hα-helixtrans-52.8-33.1177.8-28.835.5000114.3K175 E204P171-K175 VanDerWaalsContact O-CG 3.31Å; P171-K175 WeakPolarHBondContact O-CG 3.48Å; P171-K175 PolarHBondContact O-N 2.91Å; P171-K175 VanDerWaalsContact O-N 3.13Å; P171-E204 WeakPolarHBondContact CD-O 3.35Å; P171-E204 WeakPolarHBondContact CG-OE2 3.49Å
172S90.3Very high94Very high77 Ų7737.1 Ų37.154%0.53820%0.197SC..Hα-helixtrans-68.8-38.6175.449.90000112.9E170 K175 A176E170-S172 PolarHBondContact O-N 3.39Å; E170-S172 VanDerWaalsContact O-N 3.08Å; S172-K175 PolarHBondContact O-N 3.08Å; S172-A176 PolarHBondContact O-N 2.97Å
173D92.8Very high94.2Very high24 Ų2436.9 Ų36.913%0.12820%0.196CC..Hα-helixtrans-70.9-42.8178.7-56.5-46.8000110.5R125 M129 L169 E170 K175 A176 V177R125-D173 IonicContact CZ-OD2 3.95Å; R125-D173 IonicContact NE-OD2 3.75Å; R125-D173 IonicContact NH2-OD1 3.78Å; R125-D173 IonicContact NH2-OD2 3.75Å; R125-D173 PolarHBondContact NH2-OD2 3.5Å; M129-D173 HydrophobicContact CE-CB 4.07Å; M129-D173 HydrophobicContact SD-CB 4.07Å; L169-D173 HydrophobicContact CB-CB 4.35Å; L169-D173 HydrophobicContact CD2-CB 3.97Å; E170-D173 PolarHBondContact N-OD2 3.31Å; E170-D173 VanDerWaalsContact N-OD2 3.09Å; E170-D173 PolarHBondContact O-N 2.92Å; D173-K175 VanDerWaalsContact C-N 3.27Å; D173-K175 PolarHBondContact O-N 3.42Å; D173-A176 WeakPolarHBondContact O-CA 3.36Å; D173-A176 WeakPolarHBondContact O-CB 3.46Å; D173-A176 PolarHBondContact O-N 2.87Å; D173-V177 WeakPolarHBondContact O-CG2 3.35Å; D173-V177 PolarHBondContact O-N 3.04Å
174R95.6Very high94.4Very high26 Ų2636.5 Ų36.510%0.09819%0.194CC..Hα-helixtrans-60.8-36.8176.3-66.3-165.5-64.9-109.411.6112.1F165 L169 E170 A176 V177 T178 T181 L202 C203 E204F165-R174 HydrophobicContact CD1-CG 4.42Å; F165-R174 HydrophobicContact CE1-CG 4.06Å; L169-R174 HydrophobicContact CB-CG 4.14Å; L169-R174 PolarHBondContact O-NH1 3.14Å; E170-R174 PolarHBondContact O-N 2.82Å; R174-A176 VanDerWaalsContact C-N 3.29Å; R174-A176 PolarHBondContact O-N 2.96Å; R174-V177 CarbonylContact O-C 3.59Å; R174-V177 VanDerWaalsContact O-C 3.23Å; R174-V177 PolarHBondContact O-N 2.99Å; R174-T178 PolarHBondContact O-N 2.92Å; R174-T181 HydrophobicContact CB-CG2 4.11Å; R174-T181 PolarHBondContact O-OG1 2.74Å; R174-T181 VanDerWaalsContact O-OG1 3.04Å; R174-L202 VanDerWaalsContact NH1-CB 3.33Å; R174-C203 PolarHBondContact NH1-O 3.26Å; R174-C203 PolarHBondContact NH2-O 2.74Å; R174-E204 IonicContact NH2-OE1 3.08Å; R174-E204 PolarHBondContact NH2-OE1 3.28Å
175K92.6Very high94.4Very high165 Ų16538.8 Ų38.872%0.71721%0.208SC*.Hα-helixtrans-63.6-34.1171-77.3177-178.9-176.50112.6P171 S172 D173 V177 T178P171-K175 VanDerWaalsContact O-CG 3.31Å; P171-K175 WeakPolarHBondContact O-CG 3.48Å; P171-K175 PolarHBondContact O-N 2.91Å; P171-K175 VanDerWaalsContact O-N 3.13Å; S172-K175 PolarHBondContact O-N 3.08Å; D173-K175 VanDerWaalsContact C-N 3.27Å; D173-K175 PolarHBondContact O-N 3.42Å; K175-V177 VanDerWaalsContact C-N 3.27Å; K175-V177 PolarHBondContact O-N 2.95Å; K175-T178 PolarHBondContact O-OG1 3Å
176A91.6Very high94.4Very high57 Ų5740.8 Ų40.847%0.47122%0.22SC..Hα-helixtrans-73.6-17178.200000113.7M129 S172 D173 R174M129-A176 HydrophobicContact CE-CB 4.19Å; S172-A176 PolarHBondContact O-N 2.97Å; D173-A176 WeakPolarHBondContact O-CA 3.36Å; D173-A176 WeakPolarHBondContact O-CB 3.46Å; D173-A176 PolarHBondContact O-N 2.87Å; R174-A176 VanDerWaalsContact C-N 3.29Å; R174-A176 PolarHBondContact O-N 2.96Å
177V95.9Very high94.6Very high0 Ų038.1 Ų38.10%021%0.208CC..THydrogen-bonded Turntrans-12965.4174.3-68.80000110.4M129 L132 K133 D136 D173 R174 K175 N179 V180 T181M129-V177 HydrophobicContact CE-CG1 4.1Å; M129-V177 HydrophobicContact CE-CG2 4.43Å; L132-V177 HydrophobicContact CB-CG1 4.03Å; K133-V177 HydrophobicContact CG-CG1 4.14Å; D136-V177 HydrophobicContact CB-CB 4.33Å; D136-V177 HydrophobicContact CB-CG1 4.26Å; D136-V177 WeakPolarHBondContact OD1-CA 3.4Å; D173-V177 WeakPolarHBondContact O-CG2 3.35Å; D173-V177 PolarHBondContact O-N 3.04Å; R174-V177 CarbonylContact O-C 3.59Å; R174-V177 VanDerWaalsContact O-C 3.23Å; R174-V177 PolarHBondContact O-N 2.99Å; K175-V177 VanDerWaalsContact C-N 3.27Å; K175-V177 PolarHBondContact O-N 2.95Å; V177-N179 PolarHBondContact O-N 3.4Å; V177-V180 HydrophobicContact CB-CB 4.18Å; V177-V180 HydrophobicContact CB-CG2 4.21Å; V177-V180 HydrophobicContact CG2-CB 4.43Å; V177-V180 PolarHBondContact O-N 2.57Å; V177-T181 WeakPolarHBondContact O-CB 3.35Å; V177-T181 PolarHBondContact O-N 2.7Å; V177-T181 PolarHBondContact O-OG1 3.13Å
178T96Very high94.8Very high85 Ų8537 Ų3752%0.52120%0.204SC..Hα-helixtrans-65.2-37.5-171.5-63.90000112.5D136 R174 K175 T181 R182D136-T178 PolarHBondContact OD1-N 3.22Å; R174-T178 PolarHBondContact O-N 2.92Å; K175-T178 PolarHBondContact O-OG1 3Å; T178-T181 PolarHBondContact O-N 3.44Å; T178-R182 WeakPolarHBondContact O-CB 3.48Å; T178-R182 PolarHBondContact O-N 3.04Å
179N96.6Very high94.9Very high43 Ų4341.5 Ų41.523%0.2323%0.228CC..Hα-helixtrans-72-41.7-179.6-59.6-62.3000111.4D136 L139 V177 T181 R182 W183D136-N179 WeakPolarHBondContact O-CB 3.37Å; D136-N179 WeakPolarHBondContact OD1-CA 3.34Å; D136-N179 WeakPolarHBondContact OD1-CB 3.27Å; D136-N179 PolarHBondContact OD1-N 3.42Å; D136-N179 PolarHBondContact OD2-ND2 2.92Å; L139-N179 HydrophobicContact CB-CB 4.13Å; V177-N179 PolarHBondContact O-N 3.4Å; N179-T181 VanDerWaalsContact C-N 3.32Å; N179-R182 PolarHBondContact O-N 2.95Å; N179-W183 VanDerWaalsContact O-CB 3.3Å; N179-W183 WeakPolarHBondContact O-CB 3.38Å; N179-W183 PolarHBondContact O-N 2.9Å
180V98Very high94.9Very high0 Ų043.9 Ų43.90%024%0.239CC..Hα-helixtrans-61.1-44.9172-176.80000110.1L132 L135 D136 L139 F165 V177 R182 W183 F184L132-V180 HydrophobicContact CD2-CG1 4.34Å; L132-V180 WeakPolarHBondContact O-CG2 3.44Å; L135-V180 HydrophobicContact CB-CG2 4.09Å; L135-V180 HydrophobicContact CD2-CG1 4.04Å; L135-V180 HydrophobicContact CD2-CG2 4.16Å; L135-V180 HydrophobicContact CG-CG2 3.96Å; D136-V180 VanDerWaalsContact CA-CG2 3.43Å; D136-V180 HydrophobicContact CB-CG2 3.67Å; D136-V180 PolarHBondContact OD1-N 3.26Å; L139-V180 HydrophobicContact CD1-CG2 4.27Å; F165-V180 HydrophobicContact CE2-CG1 4.03Å; F165-V180 HydrophobicContact CZ-CG1 4.04Å; V177-V180 HydrophobicContact CB-CB 4.18Å; V177-V180 HydrophobicContact CB-CG2 4.21Å; V177-V180 HydrophobicContact CG2-CB 4.43Å; V177-V180 PolarHBondContact O-N 2.57Å; V180-R182 PolarHBondContact O-N 3.34Å; V180-W183 HydrophobicContact CG1-CE3 4.22Å; V180-W183 HydrophobicContact CG1-CZ3 4.4Å; V180-W183 PolarHBondContact O-N 3.34Å; V180-F184 WeakPolarHBondContact O-CB 3.32Å; V180-F184 PolarHBondContact O-N 2.95Å
181T96.6Very high94.8Very high24 Ų2446 Ų4615%0.14726%0.257CS..Hα-helixtrans-62.3-44.8-179.8-60.50000111.6F165 R174 V177 T178 N179 T185F165-T181 HydrophobicContact CE1-CG2 4.24Å; R174-T181 HydrophobicContact CB-CG2 4.11Å; R174-T181 PolarHBondContact O-OG1 2.74Å; R174-T181 VanDerWaalsContact O-OG1 3.04Å; V177-T181 WeakPolarHBondContact O-CB 3.35Å; V177-T181 PolarHBondContact O-N 2.7Å; V177-T181 PolarHBondContact O-OG1 3.13Å; T178-T181 PolarHBondContact O-N 3.44Å; N179-T181 VanDerWaalsContact C-N 3.32Å; T181-T185 WeakPolarHBondContact O-CB 3.4Å; T181-T185 PolarHBondContact O-N 3.48Å; T181-T185 PolarHBondContact O-OG1 3.49Å
182R96.9Very high94.8Very high87 Ų8746.5 Ų46.533%0.32826%0.255SS..Hα-helixtrans-58.1-52.4174.1176.3-165.360.473.5-0.9111.2L139 R142 T178 N179 V180 T185 T186L139-R182 PolarHBondContact O-NH2 3.42Å; L139-R182 VanDerWaalsContact O-NH2 3.15Å; R142-R182 PolarHBondContact O-NH2 2.85Å; T178-R182 WeakPolarHBondContact O-CB 3.48Å; T178-R182 PolarHBondContact O-N 3.04Å; N179-R182 PolarHBondContact O-N 2.95Å; V180-R182 PolarHBondContact O-N 3.34Å; R182-T185 PolarHBondContact O-N 2.94Å; R182-T186 WeakPolarHBondContact O-CB 3.47Å; R182-T186 PolarHBondContact O-N 3.34Å; R182-T186 PolarHBondContact O-OG1 2.86Å
183W98Very high95Very high0 Ų042.9 Ų42.90%023%0.229CC..Hα-helixtrans-64.4-43.9-177.8162.483.8000112.2L135 L139 L145 D154 V157 A158 V161 N179 V180 T185 T186 C187L135-W183 HydrophobicContact CD2-CZ3 4.31Å; L139-W183 HydrophobicContact CD1-CB 3.8Å; L139-W183 HydrophobicContact CD1-CD2 3.56Å; L139-W183 HydrophobicContact CD1-CE3 3.66Å; L139-W183 HydrophobicContact CD1-CG 3.63Å; L139-W183 HydrophobicContact CD1-CZ3 4.47Å; L139-W183 HydrophobicContact CD2-CB 4.1Å; L139-W183 HydrophobicContact CD2-CD2 4.14Å; L139-W183 HydrophobicContact CD2-CG 3.65Å; L139-W183 HydrophobicContact CG-CB 4.46Å; L139-W183 HydrophobicContact CG-CG 4.28Å; L145-W183 HydrophobicContact CD1-CH2 4.43Å; L145-W183 HydrophobicContact CD1-CZ2 3.8Å; L145-W183 HydrophobicContact CG-CZ2 4.22Å; D154-W183 HydrophobicContact CB-CZ2 4.22Å; D154-W183 PolarHBondContact OD1-NE1 3.21Å; V157-W183 HydrophobicContact CB-CH2 3.76Å; V157-W183 HydrophobicContact CB-CZ2 4.22Å; V157-W183 HydrophobicContact CG1-CH2 3.5Å; V157-W183 VanDerWaalsContact CG1-CH2 3.5Å; V157-W183 HydrophobicContact CG1-CZ2 4.28Å; V157-W183 HydrophobicContact CG1-CZ3 4.08Å; A158-W183 HydrophobicContact CB-CH2 3.85Å; A158-W183 HydrophobicContact CB-CZ2 4.24Å; V161-W183 HydrophobicContact CG2-CZ3 4.38Å; N179-W183 VanDerWaalsContact O-CB 3.3Å; N179-W183 WeakPolarHBondContact O-CB 3.38Å; N179-W183 PolarHBondContact O-N 2.9Å; V180-W183 HydrophobicContact CG1-CE3 4.22Å; V180-W183 HydrophobicContact CG1-CZ3 4.4Å; V180-W183 PolarHBondContact O-N 3.34Å; W183-T185 PolarHBondContact O-N 2.87Å; W183-T186 CarbonylContact O-C 3.51Å; W183-T186 WeakPolarHBondContact O-CA 3.41Å; W183-T186 VanDerWaalsContact O-CB 3.3Å; W183-T186 WeakPolarHBondContact O-CB 3.17Å; W183-T186 PolarHBondContact O-N 3.45Å; W183-T186 VanDerWaalsContact O-N 3.1Å; W183-C187 PolarHBondContact O-N 3.29Å; W183-C187 PolarHBondContact O-SG 3.25Å
184F97.6Very high95Very high0 Ų044.9 Ų44.90%024%0.24CC..Hα-helixtrans-61.4-46.7177.9178.1-103.4000110.9A158 V161 L162 F165 V180 T186 C187 I188 L202A158-F184 HydrophobicContact CB-CD2 4.31Å; A158-F184 WeakPolarHBondContact O-CE2 3.37Å; V161-F184 HydrophobicContact CG2-CD2 3.55Å; V161-F184 HydrophobicContact CG2-CE2 3.81Å; V161-F184 HydrophobicContact CG2-CG 4.41Å; L162-F184 HydrophobicContact CD1-CE2 4.45Å; L162-F184 HydrophobicContact CD1-CZ 3.91Å; F165-F184 HydrophobicContact CB-CD1 4.09Å; F165-F184 HydrophobicContact CB-CE1 3.44Å; F165-F184 VanDerWaalsContact CB-CE1 3.44Å; F165-F184 HydrophobicContact CB-CZ 3.73Å; F165-F184 AromaticContact CD1-CD1 3.51Å; F165-F184 HydrophobicContact CD1-CD1 3.51Å; F165-F184 AromaticContact CD1-CE1 3.73Å; F165-F184 HydrophobicContact CD1-CE1 3.73Å; F165-F184 HydrophobicContact CD1-CG 4.29Å; F165-F184 AromaticContact CD2-CD1 3.91Å; F165-F184 HydrophobicContact CD2-CD1 3.91Å; F165-F184 HydrophobicContact CD2-CD2 4.24Å; F165-F184 HydrophobicContact CD2-CE1 4.03Å; F165-F184 HydrophobicContact CD2-CE2 4.36Å; F165-F184 HydrophobicContact CD2-CG 4.01Å; F165-F184 HydrophobicContact CD2-CZ 4.26Å; F165-F184 HydrophobicContact CE1-CB 4.4Å; F165-F184 AromaticContact CE1-CD1 3.83Å; F165-F184 HydrophobicContact CE1-CD1 3.83Å; F165-F184 HydrophobicContact CE1-CG 4.32Å; F165-F184 HydrophobicContact CE2-CB 4.22Å; F165-F184 HydrophobicContact CE2-CD1 4.21Å; F165-F184 HydrophobicContact CE2-CD2 4.48Å; F165-F184 HydrophobicContact CE2-CG 4.04Å; F165-F184 AromaticContact CG-CD1 3.55Å; F165-F184 HydrophobicContact CG-CD1 3.55Å; F165-F184 AromaticContact CG-CE1 3.46Å; F165-F184 HydrophobicContact CG-CE1 3.46Å; F165-F184 VanDerWaalsContact CG-CE1 3.46Å; F165-F184 HydrophobicContact CG-CG 4.14Å; F165-F184 AromaticContact CG-CZ 3.98Å; F165-F184 HydrophobicContact CG-CZ 3.98Å; F165-F184 HydrophobicContact CZ-CB 4.08Å; F165-F184 HydrophobicContact CZ-CD1 4.18Å; F165-F184 HydrophobicContact CZ-CG 4.2Å; V180-F184 WeakPolarHBondContact O-CB 3.32Å; V180-F184 PolarHBondContact O-N 2.95Å; F184-T186 VanDerWaalsContact C-N 3.25Å; F184-T186 PolarHBondContact O-N 2.89Å; F184-C187 PolarHBondContact O-N 3.37Å; F184-C187 VanDerWaalsContact O-N 3.08Å; F184-I188 HydrophobicContact CD1-CD1 4.17Å; F184-I188 HydrophobicContact CD1-CG2 4.36Å; F184-I188 HydrophobicContact CD2-CG2 4.19Å; F184-I188 HydrophobicContact CE1-CD1 3.78Å; F184-I188 HydrophobicContact CE1-CG2 3.9Å; F184-I188 HydrophobicContact CE2-CG2 3.7Å; F184-I188 HydrophobicContact CZ-CD1 4.41Å; F184-I188 HydrophobicContact CZ-CG2 3.55Å; F184-I188 WeakPolarHBondContact O-CG1 3.05Å; F184-I188 PolarHBondContact O-N 2.95Å; F184-L202 HydrophobicContact CE1-CD2 3.98Å
185T95.3Very high94.8Very high48 Ų4850.5 Ų50.529%0.29427%0.265SS..Hα-helixtrans-59.6-38.4174.5-53.80000111.2T181 R182 W183 C187 N189T181-T185 WeakPolarHBondContact O-CB 3.4Å; T181-T185 PolarHBondContact O-N 3.48Å; T181-T185 PolarHBondContact O-OG1 3.49Å; R182-T185 PolarHBondContact O-N 2.94Å; W183-T185 PolarHBondContact O-N 2.87Å; T185-C187 VanDerWaalsContact C-N 3.35Å; T185-N189 WeakPolarHBondContact CG2-ND2 2.95Å; T185-N189 WeakPolarHBondContact O-CB 3.33Å; T185-N189 VanDerWaalsContact O-CG 3.27Å; T185-N189 PolarHBondContact O-N 3.01Å; T185-N189 PolarHBondContact O-ND2 3.36Å
186T95Very high94.8Very high41 Ų4144.3 Ų44.325%0.25224%0.241SC..Hα-helixtrans-64.8-37.4175.7-560000112Y144 R182 W183 F184 Q190Y144-T186 HydrophobicContact CE1-CG2 4.39Å; R182-T186 WeakPolarHBondContact O-CB 3.47Å; R182-T186 PolarHBondContact O-N 3.34Å; R182-T186 PolarHBondContact O-OG1 2.86Å; W183-T186 CarbonylContact O-C 3.51Å; W183-T186 WeakPolarHBondContact O-CA 3.41Å; W183-T186 VanDerWaalsContact O-CB 3.3Å; W183-T186 WeakPolarHBondContact O-CB 3.17Å; W183-T186 PolarHBondContact O-N 3.45Å; W183-T186 VanDerWaalsContact O-N 3.1Å; F184-T186 VanDerWaalsContact C-N 3.25Å; F184-T186 PolarHBondContact O-N 2.89Å; T186-Q190 WeakPolarHBondContact O-CG 3.43Å; T186-Q190 PolarHBondContact O-NE2 3.17Å
187C95.4Very high94.7Very high0 Ų043 Ų430%023%0.226CC..Hα-helixtrans-72.8-50.8178.9-66.20000112.3A158 W183 F184 T185 N189 Q190 F193A158-C187 HydrophobicContact CB-CB 4.16Å; W183-C187 PolarHBondContact O-N 3.29Å; W183-C187 PolarHBondContact O-SG 3.25Å; F184-C187 PolarHBondContact O-N 3.37Å; F184-C187 VanDerWaalsContact O-N 3.08Å; T185-C187 VanDerWaalsContact C-N 3.35Å; C187-N189 PolarHBondContact O-N 2.84Å; C187-Q190 WeakPolarHBondContact O-CB 3.29Å; C187-Q190 VanDerWaalsContact O-CG 3.29Å; C187-Q190 WeakPolarHBondContact O-CG 3.41Å; C187-Q190 PolarHBondContact O-N 3.36Å; C187-Q190 VanDerWaalsContact O-N 3.07Å; C187-F193 HydrophobicContact CB-CE1 4.23Å; C187-F193 HydrophobicContact CB-CZ 4.26Å; C187-F193 WeakPolarHBondContact O-CB 3.38Å; C187-F193 WeakPolarHBondContact O-CD2 3.3Å; C187-F193 WeakPolarHBondContact O-CG 3.46Å
188I94.3Very high94.4Very high11 Ų1144.6 Ų44.66%0.05624%0.242CC..Hα-helixtrans-67.4-24-175.466.4178.3000113.2F184 Q190 L194 L197 I200 L202F184-I188 HydrophobicContact CD1-CD1 4.17Å; F184-I188 HydrophobicContact CD1-CG2 4.36Å; F184-I188 HydrophobicContact CD2-CG2 4.19Å; F184-I188 HydrophobicContact CE1-CD1 3.78Å; F184-I188 HydrophobicContact CE1-CG2 3.9Å; F184-I188 HydrophobicContact CE2-CG2 3.7Å; F184-I188 HydrophobicContact CZ-CD1 4.41Å; F184-I188 HydrophobicContact CZ-CG2 3.55Å; F184-I188 WeakPolarHBondContact O-CG1 3.05Å; F184-I188 PolarHBondContact O-N 2.95Å; I188-Q190 VanDerWaalsContact C-N 3.29Å; I188-L194 WeakPolarHBondContact O-CD2 3.37Å; I188-L194 WeakPolarHBondContact O-CG 3.48Å; I188-L197 HydrophobicContact CG2-CD1 4.35Å; I188-I200 HydrophobicContact CD1-CB 4.35Å; I188-L202 HydrophobicContact CD1-CD2 4.48Å
189N92.9Very high93.9Very high96 Ų9649.6 Ų49.651%0.51326%0.26SS..THydrogen-bonded Turntrans-83.7-0.4176.5-71.8-27000113.5T185 C187T185-N189 WeakPolarHBondContact CG2-ND2 2.95Å; T185-N189 WeakPolarHBondContact O-CB 3.33Å; T185-N189 VanDerWaalsContact O-CG 3.27Å; T185-N189 PolarHBondContact O-N 3.01Å; T185-N189 PolarHBondContact O-ND2 3.36Å; C187-N189 PolarHBondContact O-N 2.84Å
190Q93.7Very high93.4Very high50 Ų5049.1 Ų49.123%0.23426%0.257CS..SBendtrans-67.9141.6172.3-62.4-59.8-44.700110.1L150 T186 C187 I188 Q192 F193 L194L150-Q190 HydrophobicContact CD1-CG 3.77Å; T186-Q190 WeakPolarHBondContact O-CG 3.43Å; T186-Q190 PolarHBondContact O-NE2 3.17Å; C187-Q190 WeakPolarHBondContact O-CB 3.29Å; C187-Q190 VanDerWaalsContact O-CG 3.29Å; C187-Q190 WeakPolarHBondContact O-CG 3.41Å; C187-Q190 PolarHBondContact O-N 3.36Å; C187-Q190 VanDerWaalsContact O-N 3.07Å; I188-Q190 VanDerWaalsContact C-N 3.29Å; Q190-Q192 PolarHBondContact O-N 3Å; Q190-Q192 VanDerWaalsContact O-N 3.09Å; Q190-F193 HydrophobicContact CB-CB 4.49Å; Q190-F193 HydrophobicContact CB-CD2 4.04Å; Q190-F193 PolarHBondContact O-N 2.97Å; Q190-L194 PolarHBondContact O-N 3.45Å
191P92.8Very high93Very high87 Ų8752.9 Ų52.957%0.56529%0.288SS*.Hα-helixtrans-53.5-36.4-177.7-27.834.6000114.1K195P191-K195 WeakPolarHBondContact O-CB 3.45Å; P191-K195 PolarHBondContact O-N 3.24Å
192Q93.4Very high92.8Very high55 Ų5554 Ų5426%0.25729%0.293SS..Hα-helixtrans-69.7-37.8179-61.1805.500112.1E23 F24 Q190E23-Q192 HydrophobicContact CB-CB 3.82Å; E23-Q192 HydrophobicContact CB-CG 4.09Å; F24-Q192 HydrophobicContact CD1-CG 3.91Å; F24-Q192 HydrophobicContact CD2-CB 3.94Å; F24-Q192 HydrophobicContact CD2-CG 4.05Å; F24-Q192 HydrophobicContact CE1-CB 4.12Å; F24-Q192 HydrophobicContact CE1-CG 3.64Å; F24-Q192 HydrophobicContact CE2-CB 3.37Å; F24-Q192 HydrophobicContact CE2-CG 3.77Å; F24-Q192 HydrophobicContact CG-CG 4.12Å; F24-Q192 HydrophobicContact CZ-CB 3.48Å; F24-Q192 VanDerWaalsContact CZ-CB 3.48Å; F24-Q192 HydrophobicContact CZ-CG 3.57Å; Q190-Q192 PolarHBondContact O-N 3Å; Q190-Q192 VanDerWaalsContact O-N 3.09Å
193F94.2Very high92.5Very high1 Ų150.2 Ų50.20%0.00428%0.28CS..Hα-helixtrans-69.6-47175-82.7-113.5000110.4I20 F24 L150 M155 A158 C187 Q190 K195 V196 L197I20-F193 HydrophobicContact CD1-CD1 3.8Å; I20-F193 HydrophobicContact CD1-CE1 3.86Å; I20-F193 HydrophobicContact CD1-CG 4.37Å; I20-F193 HydrophobicContact CD1-CZ 4.47Å; I20-F193 HydrophobicContact CG2-CD1 4.44Å; I20-F193 HydrophobicContact CG2-CD2 3.79Å; I20-F193 HydrophobicContact CG2-CE1 4.2Å; I20-F193 HydrophobicContact CG2-CE2 3.51Å; I20-F193 HydrophobicContact CG2-CG 4.26Å; I20-F193 HydrophobicContact CG2-CZ 3.76Å; F24-F193 HydrophobicContact CE2-CD2 4.18Å; F24-F193 AromaticContact CE2-CE2 3.99Å; F24-F193 HydrophobicContact CE2-CE2 3.99Å; F24-F193 HydrophobicContact CZ-CD2 4.39Å; F24-F193 HydrophobicContact CZ-CE2 4.31Å; L150-F193 HydrophobicContact CD1-CD2 4.46Å; L150-F193 HydrophobicContact CD1-CE2 3.71Å; L150-F193 HydrophobicContact CD1-CZ 4.32Å; L150-F193 HydrophobicContact CD2-CE2 4.11Å; M155-F193 HydrophobicContact CB-CZ 4.35Å; M155-F193 HydrophobicContact CG-CE2 4.22Å; M155-F193 HydrophobicContact CG-CZ 4.04Å; A158-F193 HydrophobicContact CB-CE1 3.98Å; A158-F193 HydrophobicContact CB-CZ 4.47Å; C187-F193 HydrophobicContact CB-CE1 4.23Å; C187-F193 HydrophobicContact CB-CZ 4.26Å; C187-F193 WeakPolarHBondContact O-CB 3.38Å; C187-F193 WeakPolarHBondContact O-CD2 3.3Å; C187-F193 WeakPolarHBondContact O-CG 3.46Å; Q190-F193 HydrophobicContact CB-CB 4.49Å; Q190-F193 HydrophobicContact CB-CD2 4.04Å; Q190-F193 PolarHBondContact O-N 2.97Å; F193-K195 PolarHBondContact O-N 3.03Å; F193-V196 PolarHBondContact O-N 2.84Å; F193-L197 HydrophobicContact CB-CD1 4.36Å; F193-L197 HydrophobicContact CD1-CD1 3.82Å; F193-L197 VanDerWaalsContact O-CB 3.32Å; F193-L197 WeakPolarHBondContact O-CB 3.44Å; F193-L197 WeakPolarHBondContact O-CG 3.35Å; F193-L197 PolarHBondContact O-N 3.45Å
194L92.3Very high92Very high66 Ų6656.4 Ų56.435%0.34631%0.309SS..Hα-helixtrans-58.5-36.6178.5-72.2173.5000112.5I188 Q190 V196 G198I188-L194 WeakPolarHBondContact O-CD2 3.37Å; I188-L194 WeakPolarHBondContact O-CG 3.48Å; Q190-L194 PolarHBondContact O-N 3.45Å; L194-V196 VanDerWaalsContact C-N 3.27Å; L194-V196 PolarHBondContact O-N 3.13Å; L194-G198 VanDerWaalsContact O-CA 3.27Å; L194-G198 WeakPolarHBondContact O-CA 3.33Å; L194-G198 PolarHBondContact O-N 2.78Å
195K90.9Very high91.4Very high144 Ų14464.7 Ų64.763%0.62635%0.345SS*.Hα-helixtrans-65-30.4177.8-171.3173.6167.8-152.60113.2E23 P191 F193E23-K195 VanDerWaalsContact OE1-CE 3.3Å; E23-K195 WeakPolarHBondContact OE1-CE 3.45Å; E23-K195 IonicContact OE1-NZ 2.85Å; E23-K195 PolarHBondContact OE1-NZ 3.29Å; E23-K195 WeakPolarHBondContact OE2-CD 3.43Å; E23-K195 WeakPolarHBondContact OE2-CE 3.22Å; E23-K195 IonicContact OE2-NZ 2.71Å; E23-K195 PolarHBondContact OE2-NZ 3.15Å; P191-K195 WeakPolarHBondContact O-CB 3.45Å; P191-K195 PolarHBondContact O-N 3.24Å; F193-K195 PolarHBondContact O-N 3.03Å
196V92.5Very high90.6Very high35 Ų3564.1 Ų64.121%0.21234%0.341CS..Hα-helixtrans-94.5-44.3-179.6178.70000112L16 L19 I20 E23 F193 L194L16-V196 HydrophobicContact CD2-CG1 3.94Å; L19-V196 HydrophobicContact CB-CG1 3.61Å; L19-V196 HydrophobicContact CB-CG2 4.14Å; L19-V196 HydrophobicContact CD1-CG1 4.2Å; I20-V196 HydrophobicContact CG1-CB 3.96Å; I20-V196 HydrophobicContact CG1-CG1 4Å; I20-V196 HydrophobicContact CG1-CG2 4.16Å; E23-V196 HydrophobicContact CG-CG2 3.75Å; F193-V196 PolarHBondContact O-N 2.84Å; L194-V196 VanDerWaalsContact C-N 3.27Å; L194-V196 PolarHBondContact O-N 3.13Å
197L90.6Very high89.4Confident29 Ų2963.5 Ų63.515%0.15234%0.343CS..Hα-helixtrans-90.6-23.1-171.6-60.8-175.9000113.4L16 I20 L162 I188 F193 I200L16-L197 HydrophobicContact CB-CD2 4.33Å; L16-L197 HydrophobicContact CD1-CD2 3.81Å; L16-L197 HydrophobicContact CD2-CD2 4Å; L16-L197 HydrophobicContact CG-CD2 4.27Å; I20-L197 HydrophobicContact CD1-CD1 4.22Å; I20-L197 HydrophobicContact CD1-CD2 4.18Å; I20-L197 HydrophobicContact CD1-CG 4.19Å; L162-L197 HydrophobicContact CD1-CD1 4.32Å; L162-L197 HydrophobicContact CD2-CD1 4.38Å; L162-L197 HydrophobicContact CD2-CD2 3.77Å; I188-L197 HydrophobicContact CG2-CD1 4.35Å; F193-L197 HydrophobicContact CB-CD1 4.36Å; F193-L197 HydrophobicContact CD1-CD1 3.82Å; F193-L197 VanDerWaalsContact O-CB 3.32Å; F193-L197 WeakPolarHBondContact O-CB 3.44Å; F193-L197 WeakPolarHBondContact O-CG 3.35Å; F193-L197 PolarHBondContact O-N 3.45Å; L197-I200 HydrophobicContact CB-CD1 4.09Å; L197-I200 HydrophobicContact CB-CG1 4.21Å
198G89.3Confident87.9Confident34 Ų3469.4 Ų69.435%0.35138%0.381SS..  trans68.4-171.5-165.200000112.8L194 I200L194-G198 VanDerWaalsContact O-CA 3.27Å; L194-G198 WeakPolarHBondContact O-CA 3.33Å; L194-G198 PolarHBondContact O-N 2.78Å; G198-I200 PolarHBondContact O-N 3.42Å
199E85.3Confident86.2Confident191 Ų19170.7 Ų70.789%0.89339%0.39SS*.SBendtrans-69123.1171.2-71.7-174.8175.400110.3
200I87.4Confident84.1Confident33 Ų3371.8 Ų71.817%0.16940%0.4CS..PPolyproline II helixtrans-97.7117.3-178.9-61.1-60.1000110.4L162 I188 L197 G198 L202L162-I200 HydrophobicContact CD1-CD1 4.3Å; L162-I200 HydrophobicContact CD1-CG1 4.31Å; L162-I200 HydrophobicContact CD1-CG2 4.42Å; I188-I200 HydrophobicContact CD1-CB 4.35Å; L197-I200 HydrophobicContact CB-CD1 4.09Å; L197-I200 HydrophobicContact CB-CG1 4.21Å; G198-I200 PolarHBondContact O-N 3.42Å; I200-L202 HydrophobicContact CG2-CD2 4.22Å
201A88Confident81.4Confident78 Ų7875.1 Ų75.165%0.64543%0.426SS*.PPolyproline II helixtrans-79.1123166.700000110.1
202L92.5Very high78.4Confident47 Ų4777.3 Ų77.325%0.24644%0.438CS..PPolyproline II helixtrans-79.4151.8177-52.6-178.7000111F165 R174 F184 I188 I200 E204F165-L202 HydrophobicContact CB-CD2 4.23Å; F165-L202 HydrophobicContact CD1-CD2 4.22Å; R174-L202 VanDerWaalsContact NH1-CB 3.33Å; F184-L202 HydrophobicContact CE1-CD2 3.98Å; I188-L202 HydrophobicContact CD1-CD2 4.48Å; I200-L202 HydrophobicContact CG2-CD2 4.22Å; L202-E204 PolarHBondContact O-N 3.03Å
203C90.9Very high75.5Confident9 Ų980.5 Ų80.56%0.06146%0.463CS..  trans-65.1114.8-176.5-176.20000112.4F165 K166 Y167 R174F165-C203 PolarHBondContact O-N 2.94Å; K166-C203 WeakPolarHBondContact O-CB 3.42Å; Y167-C203 VanDerWaalsContact C-SG 3.52Å; Y167-C203 PolarHBondContact O-SG 2.95Å; R174-C203 PolarHBondContact NH1-O 3.26Å; R174-C203 PolarHBondContact NH2-O 2.74Å
204E88.7Confident72.5Confident130 Ų13088.4 Ų88.461%0.60751%0.505SS*.SBendtrans-86.9-29.5175.3-71.6-56.7124.400112.9P171 R174 L202P171-E204 WeakPolarHBondContact CD-O 3.35Å; P171-E204 WeakPolarHBondContact CG-OE2 3.49Å; R174-E204 IonicContact NH2-OE1 3.08Å; R174-E204 PolarHBondContact NH2-OE1 3.28Å; L202-E204 PolarHBondContact O-N 3.03Å
205K83.5Confident69.3Low174 Ų17490.2 Ų90.276%0.75753%0.53SS*.SBendtrans-152131.8177.7-167.8174.3-178.1177.40110.2E170 G207E170-K205 WeakPolarHBondContact OE1-CA 3.4Å; K205-G207 PolarHBondContact O-N 3.49Å
206V79.6Confident66.2Low35 Ų3588.5 Ų88.521%0.21254%0.543CS..  trans-72.7126.1178.4-179.80000109.9L110 R125 A168 E170L110-V206 HydrophobicContact CD1-CG1 3.88Å; L110-V206 HydrophobicContact CD2-CG1 3.67Å; L110-V206 HydrophobicContact CG-CG1 4.46Å; R125-V206 VanDerWaalsContact NH1-CG2 3.28Å; A168-V206 WeakPolarHBondContact O-CG2 3.37Å; E170-V206 HydrophobicContact CG-CB 4.5Å; E170-V206 HydrophobicContact CG-CG2 3.67Å; E170-V206 PolarHBondContact OE1-N 3.25Å
207G69.4Low63Low29 Ų2990.2 Ų90.230%0.29957%0.567SS.*  trans-161.3171175.600000111.8K205 V209K205-G207 PolarHBondContact O-N 3.49Å; G207-V209 PolarHBondContact O-N 3.38Å
208P63.3Low59.8Low123 Ų12399 Ų9980%0.79960%0.604SS**  trans-58.9126.7175.2-18.930.8000110.4T210P208-T210 PolarHBondContact O-N 2.91Å
209V58.8Low56.7Low39 Ų39101.5 Ų101.524%0.23662%0.622CS.*  trans-89102.9-178.7-176.20000107.8L110 Y167 G207 P211L110-V209 PolarHBondContact O-N 3.33Å; Y167-V209 HydrophobicContact CD1-CB 4.21Å; Y167-V209 HydrophobicContact CD1-CG1 3.76Å; Y167-V209 HydrophobicContact CD1-CG2 3.39Å; Y167-V209 HydrophobicContact CE1-CB 4.38Å; Y167-V209 HydrophobicContact CE1-CG1 3.45Å; Y167-V209 VanDerWaalsContact CE1-CG1 3.45Å; Y167-V209 HydrophobicContact CE1-CG2 4.02Å; Y167-V209 HydrophobicContact CG-CG2 3.85Å; G207-V209 PolarHBondContact O-N 3.38Å; V209-P211 WeakPolarHBondContact O-CD 3.48Å
210T48.3Very low53.8Low118 Ų11896.4 Ų96.472%0.72461%0.612SS**PPolyproline II helixtrans-77.8122168.340.30000109.4P208 T212P208-T210 PolarHBondContact O-N 2.91Å; T210-T212 PolarHBondContact O-N 3.03Å
211P37.4Very low50.8Low121 Ų121101.9 Ų101.979%0.78664%0.642SS**PPolyproline II helixtrans-66.1126.2174.824.6-29.1000109.6V209V209-P211 WeakPolarHBondContact O-CD 3.48Å
212T30.3Very low47.7Very low133 Ų133103.8 Ų103.882%0.81665%0.645SS**PPolyproline II helixtrans-94.9131.7173-10.40000108.9T210T210-T212 PolarHBondContact O-N 3.03Å
213P31.5Very low44.4Very low121 Ų121105.7 Ų105.779%0.78667%0.668SS**PPolyproline II helixtrans-80.7129.9169.6105.3000110.2
214N31.9Very low41.2Very low167 Ų167111.1 Ų111.189%0.89370%0.701SS**  trans3.2126.8168.6-77.3-14.2000119.3
215A25.3Very low38.1Very low105 Ų105112.1 Ų112.187%0.86871%0.71SS**  trans-155.6124.5148.900000112.8
216A26Very low35.2Very low108 Ų108107.9 Ų107.989%0.89370%0.702SS**  trans-76.4144.6161.200000110.8
217G24.1Very low32.5Very low70 Ų70113.2 Ų113.272%0.72273%0.73SS**  trans111.9114.1148.900000119.1
218K24.3Very low30.3Very low213 Ų213117 Ų11793%0.92675%0.752SS**  trans64.7149.6148.2-63.6-179.8178.2179.80117.9
219A24.2Very low29Very low87 Ų87116.8 Ų116.872%0.71975%0.75SS**  cis-171.6144.6-17.200000106.8
220A24.5Very low27.4Very low84 Ų84119.7 Ų119.769%0.69478%0.778SS**  trans28.8125.914800000121.9
221N24.1Very low26.3Very low149 Ų149118.1 Ų118.180%0.79778%0.777SS**  166.5128.998.2-94.8-23.1000114.7
222V24Very low25.8Very low118 Ų118120.4 Ų120.472%0.71578%0.783SS**  59.1106.3128.4-171.10000117.8
223A23.3Very low25.8Very low87 Ų87117.7 Ų117.772%0.71978%0.782SS**  62.5135.691.300000113.6
224V23.8Very low26.4Very low123 Ų123118.1 Ų118.175%0.74578%0.784SS**  -173.414262.4166.20000109.3
225D22.6Very low26.7Very low150 Ų150115.8 Ų115.880%0.80278%0.778SS**  trans8.6161.7140-74.2-31.3000121.3
226S22.7Very low27.4Very low86 Ų86119 Ų11960%0.60177%0.772SS**  cis-177.6167.7-6.851.80000108
227N23.3Very low28.6Very low147 Ų147118.9 Ų118.979%0.78676%0.761SS**  trans81.2109.7147.3-72-17.4000123.1
228S23.8Very low29.5Very low108 Ų108122.5 Ų122.576%0.75576%0.759SS**  trans-22.8174.4135.4-38.90000117.1
229P35.8Very low30.7Very low118 Ų118115.5 Ų115.577%0.76674%0.741SS**  cis-149.417918.238.7-15.4000118.5
230A24.2Very low31.7Very low100 Ų100116.1 Ų116.183%0.82673%0.729SS**  trans52.7153.1147.900000121.2
231A26.2Very low32.8Very low86 Ų86118.2 Ų118.271%0.71173%0.727SS**  cis-173.2161.3-18.200000107.2
232N26.4Very low34.3Very low169 Ų169118 Ų11890%0.90472%0.719SS**  trans92.9119.8166.8-62.1-17.2000120.1
233G30Very low35.5Very low76 Ų76120 Ų12078%0.78472%0.719SS**  trans-87.1-166.2172.900000113.5
234P43.9Very low36.8Very low130 Ų130122.4 Ų122.484%0.84472%0.715SS**  cis-128.8-167.121.140-18.6000112.4
235P38.4Very low38.6Very low117 Ų117119.5 Ų119.576%0.7670%0.704SS**  cis-132.5-179.221.338.4-15.4000116.6
236K39Very low40.5Very low173 Ų173119.5 Ų119.575%0.75270%0.697SS**  trans-67128.4-172.4-68.6175.6162.4-177.80113
237T52.6Low41.8Very low105 Ų105123.2 Ų123.264%0.64470%0.702SS**  trans-99.9160.5-179.843.10000113.5A239 Q240T237-A239 PolarHBondContact O-N 3.31Å; T237-Q240 PolarHBondContact O-N 3.25Å
238E43.3Very low43.4Very low147 Ų147125.8 Ų125.869%0.68770%0.701SS**THydrogen-bonded Turntrans-40.7-22.7179.4-149.2-178.1168.200116Q240 L241 K242E238-Q240 VanDerWaalsContact C-N 3.31Å; E238-Q240 PolarHBondContact O-N 3.36Å; E238-L241 PolarHBondContact O-N 2.95Å; E238-K242 PolarHBondContact O-N 3.08Å
239A48.7Very low45.5Very low66 Ų66125.1 Ų125.155%0.54569%0.686SS.*Hα-helixtrans-64.2-29.5173.600000113.8T237 K243T237-A239 PolarHBondContact O-N 3.31Å; A239-K243 WeakPolarHBondContact O-CB 3.16Å; A239-K243 PolarHBondContact O-N 3.26Å; A239-K243 VanDerWaalsContact O-N 3.15Å
240Q44.4Very low46.6Very low100 Ų100127.4 Ų127.447%0.46768%0.683SS.*Hα-helixtrans-74.1-35.6178.7-73.7-172.2-3.900112.4T237 E238 K243 E244T237-Q240 PolarHBondContact O-N 3.25Å; E238-Q240 VanDerWaalsContact C-N 3.31Å; E238-Q240 PolarHBondContact O-N 3.36Å; Q240-K243 PolarHBondContact O-N 3.3Å; Q240-E244 PolarHBondContact O-N 2.94Å
241L48.3Very low48Very low127 Ų127127.9 Ų127.967%0.66567%0.672SS**Hα-helixtrans-68.3-38.1173.6-70.3165.9000111.8E238 K243 E244 A245E238-L241 PolarHBondContact O-N 2.95Å; L241-K243 VanDerWaalsContact C-N 3.27Å; L241-K243 PolarHBondContact O-N 2.86Å; L241-E244 PolarHBondContact O-N 2.89Å; L241-A245 PolarHBondContact O-N 3.17Å
242K56.4Low49.8Very low144 Ų144129.5 Ų129.563%0.62666%0.664SS**Hα-helixtrans-65.2-27.9171.9-87.5176.1176164.90113.3E238 K246E238-K242 PolarHBondContact O-N 3.08Å; K242-K246 PolarHBondContact O-N 2.86Å
243K47.6Very low51.8Low162 Ų162127.3 Ų127.370%0.70465%0.647SS**Hα-helixtrans-78-31.7-179.4-153.9173.4-175.3177.90112.3A239 Q240 L241 K247A239-K243 WeakPolarHBondContact O-CB 3.16Å; A239-K243 PolarHBondContact O-N 3.26Å; A239-K243 VanDerWaalsContact O-N 3.15Å; Q240-K243 PolarHBondContact O-N 3.3Å; L241-K243 VanDerWaalsContact C-N 3.27Å; L241-K243 PolarHBondContact O-N 2.86Å; K243-K247 PolarHBondContact O-N 3.3Å
244E51.1Low52.9Low137 Ų137129.5 Ų129.564%0.6464%0.635SS**Hα-helixtrans-74.7-38.9172.3-77.1-176152.800112.5Q240 L241 K246 K247 R248Q240-E244 PolarHBondContact O-N 2.94Å; L241-E244 PolarHBondContact O-N 2.89Å; E244-K246 PolarHBondContact O-N 3.41Å; E244-K247 WeakPolarHBondContact O-CB 3.48Å; E244-K247 PolarHBondContact O-N 3.38Å; E244-K247 VanDerWaalsContact O-N 3.1Å; E244-R248 PolarHBondContact O-N 2.86Å
245A61.3Low53.6Low62 Ų62128.5 Ų128.551%0.51262%0.619SS.*Hα-helixtrans-60.1-45.1173.400000112.4L241 K247 R248 E249L241-A245 PolarHBondContact O-N 3.17Å; A245-K247 VanDerWaalsContact C-N 3.26Å; A245-K247 PolarHBondContact O-N 2.82Å; A245-R248 PolarHBondContact O-N 2.85Å; A245-E249 PolarHBondContact O-N 3.45Å; A245-E249 VanDerWaalsContact O-N 3.11Å
246K62.8Low54.7Low150 Ų150128.6 Ų128.665%0.65261%0.61SS**Hα-helixtrans-65.8-25174.2-93.2-178.5174.4174.70113.8K242 E244 K250K242-K246 PolarHBondContact O-N 2.86Å; E244-K246 PolarHBondContact O-N 3.41Å; K246-K250 WeakPolarHBondContact O-CB 3.5Å; K246-K250 PolarHBondContact O-N 3.42Å
247K51Low55.8Low163 Ų163127.1 Ų127.171%0.70960%0.603SS**Hα-helixtrans-75.7-39.8176.9-121.8-178.8177.2-174.30111.1K243 E244 A245 L251K243-K247 PolarHBondContact O-N 3.3Å; E244-K247 WeakPolarHBondContact O-CB 3.48Å; E244-K247 PolarHBondContact O-N 3.38Å; E244-K247 VanDerWaalsContact O-N 3.1Å; A245-K247 VanDerWaalsContact C-N 3.26Å; A245-K247 PolarHBondContact O-N 2.82Å; K247-L251 PolarHBondContact O-N 3.28Å; K247-L251 VanDerWaalsContact O-N 3.13Å
248R56.6Low55.9Low201 Ų201128.3 Ų128.376%0.75860%0.599SS**Hα-helixtrans-63.9-46173-103.9-179.6163.2-170.2-5.2112.2E244 A245 K250 L251 E252E244-R248 PolarHBondContact O-N 2.86Å; A245-R248 PolarHBondContact O-N 2.85Å; R248-K250 VanDerWaalsContact C-N 3.31Å; R248-K250 PolarHBondContact O-N 2.98Å; R248-L251 PolarHBondContact O-N 3.25Å; R248-L251 VanDerWaalsContact O-N 3.09Å; R248-E252 PolarHBondContact O-N 2.88Å
249E66.6Low56.4Low94 Ų94127.4 Ų127.444%0.43960%0.595SS.*Hα-helixtrans-64.2-34.9179.4-159-161.3153.900112.7A245 K253A245-E249 PolarHBondContact O-N 3.45Å; A245-E249 VanDerWaalsContact O-N 3.11Å; E249-K253 WeakPolarHBondContact O-CB 3.32Å; E249-K253 PolarHBondContact O-N 3.04Å; E249-K253 VanDerWaalsContact O-N 3.09Å; E249-K253 IonicContact OE1-NZ 2.81Å; E249-K253 PolarHBondContact OE1-NZ 3.47Å
250K60.4Low56.6Low166 Ų166130.8 Ų130.872%0.72260%0.601SS**Hα-helixtrans-70.4-33.7173.6-93.2-174.4172.5-175.50113K246 R248 F254K246-K250 WeakPolarHBondContact O-CB 3.5Å; K246-K250 PolarHBondContact O-N 3.42Å; R248-K250 VanDerWaalsContact C-N 3.31Å; R248-K250 PolarHBondContact O-N 2.98Å; K250-F254 VanDerWaalsContact O-CB 3.28Å; K250-F254 WeakPolarHBondContact O-CB 3.43Å; K250-F254 PolarHBondContact O-N 2.77Å
251L52.2Low56.8Low110 Ų110132.2 Ų132.258%0.57661%0.608SS**Hα-helixtrans-71.3-41.9179-143.881.5000110.9K247 R248 F254 Q255K247-L251 PolarHBondContact O-N 3.28Å; K247-L251 VanDerWaalsContact O-N 3.13Å; R248-L251 PolarHBondContact O-N 3.25Å; R248-L251 VanDerWaalsContact O-N 3.09Å; L251-F254 PolarHBondContact O-N 2.97Å; L251-Q255 PolarHBondContact O-N 3.27Å
252E65.3Low56.7Low120 Ų120129.2 Ų129.256%0.56160%0.602SS**Hα-helixtrans-65.2-44174.9-78.7177.4163.400112.2R248 F254 Q255 Q256R248-E252 PolarHBondContact O-N 2.88Å; E252-F254 VanDerWaalsContact C-N 3.25Å; E252-F254 PolarHBondContact O-N 3.45Å; E252-Q255 PolarHBondContact O-N 3.32Å; E252-Q256 WeakPolarHBondContact O-CB 3.5Å; E252-Q256 WeakPolarHBondContact O-CG 3.45Å; E252-Q256 PolarHBondContact O-N 3.35Å
253K67.4Low56Low124 Ų124130.3 Ų130.354%0.53961%0.606SS.*Hα-helixtrans-63.7-30.2174.2-82.8173.6174.7159.70112.8E249 K257E249-K253 WeakPolarHBondContact O-CB 3.32Å; E249-K253 PolarHBondContact O-N 3.04Å; E249-K253 VanDerWaalsContact O-N 3.09Å; E249-K253 IonicContact OE1-NZ 2.81Å; E249-K253 PolarHBondContact OE1-NZ 3.47Å; K253-K257 WeakPolarHBondContact O-CB 3.42Å; K253-K257 PolarHBondContact O-N 2.97Å
254F54.6Low55.8Low121 Ų121131.7 Ų131.753%0.53161%0.612SS.*Hα-helixtrans-75.1-38.8176.1-175.6-107.1000112.1K250 L251 E252 K257 K258K250-F254 VanDerWaalsContact O-CB 3.28Å; K250-F254 WeakPolarHBondContact O-CB 3.43Å; K250-F254 PolarHBondContact O-N 2.77Å; L251-F254 PolarHBondContact O-N 2.97Å; E252-F254 VanDerWaalsContact C-N 3.25Å; E252-F254 PolarHBondContact O-N 3.45Å; F254-K257 PolarHBondContact O-N 3.28Å; F254-K258 HydrophobicContact CE1-CD 4.22Å; F254-K258 HydrophobicContact CZ-CD 4.5Å; F254-K258 PolarHBondContact O-N 3.48Å; F254-K258 VanDerWaalsContact O-N 3.11Å
255Q57.6Low55.2Low110 Ų110134.2 Ų134.251%0.51462%0.621SS.*Hα-helixtrans-68.5-42.3174.2-83.8165.6-34.300112.2L251 E252 K257 K258 E259L251-Q255 PolarHBondContact O-N 3.27Å; E252-Q255 PolarHBondContact O-N 3.32Å; Q255-K257 VanDerWaalsContact C-N 3.29Å; Q255-K257 PolarHBondContact O-N 2.79Å; Q255-K258 PolarHBondContact O-N 3.33Å; Q255-E259 PolarHBondContact O-N 3.43Å
256Q62.6Low54.1Low119 Ų119136.4 Ų136.456%0.55663%0.629SS**Hα-helixtrans-62-35173.9-75.4179.7-200112.8E252 E259 M260E252-Q256 WeakPolarHBondContact O-CB 3.5Å; E252-Q256 WeakPolarHBondContact O-CG 3.45Å; E252-Q256 PolarHBondContact O-N 3.35Å; Q256-E259 PolarHBondContact O-N 3.03Å; Q256-M260 WeakPolarHBondContact O-CB 3.26Å; Q256-M260 WeakPolarHBondContact O-CG 3.47Å; Q256-M260 PolarHBondContact O-N 3Å
257K61.6Low52.7Low142 Ų142138.5 Ų138.562%0.61764%0.641SS**Hα-helixtrans-69.7-39.7176-131178.9-179.2-173.70112.2K253 F254 Q255 M260 E261K253-K257 WeakPolarHBondContact O-CB 3.42Å; K253-K257 PolarHBondContact O-N 2.97Å; F254-K257 PolarHBondContact O-N 3.28Å; Q255-K257 VanDerWaalsContact C-N 3.29Å; Q255-K257 PolarHBondContact O-N 2.79Å; K257-M260 PolarHBondContact O-N 3.15Å; K257-E261 WeakPolarHBondContact O-CB 3.18Å; K257-E261 PolarHBondContact O-N 2.96Å
258K54.1Low52Low130 Ų130136.7 Ų136.757%0.56565%0.645SS**Hα-helixtrans-65.5-37.6173.9-86.6-166.8169.9-170.80112.3F254 Q255 A262F254-K258 HydrophobicContact CE1-CD 4.22Å; F254-K258 HydrophobicContact CZ-CD 4.5Å; F254-K258 PolarHBondContact O-N 3.48Å; F254-K258 VanDerWaalsContact O-N 3.11Å; Q255-K258 PolarHBondContact O-N 3.33Å; K258-A262 WeakPolarHBondContact O-CB 2.94Å; K258-A262 PolarHBondContact O-N 2.99Å
259E54.6Low50.8Low127 Ų127132.2 Ų132.259%0.59365%0.652SS**Hα-helixtrans-71.9-34.5175.2-74.1-178.3167.500112.8Q255 Q256 K263Q255-E259 PolarHBondContact O-N 3.43Å; Q256-E259 PolarHBondContact O-N 3.03Å; E259-K263 WeakPolarHBondContact O-CB 3.37Å; E259-K263 WeakPolarHBondContact O-CG 3.32Å; E259-K263 PolarHBondContact O-N 3.44Å
260M52.7Low49.2Very low137 Ų137132.4 Ų132.468%0.67567%0.669SS**Hα-helixtrans-69.8-35.3172.1-80.7-170.9-177.100113Q256 K257 K264Q256-M260 WeakPolarHBondContact O-CB 3.26Å; Q256-M260 WeakPolarHBondContact O-CG 3.47Å; Q256-M260 PolarHBondContact O-N 3Å; K257-M260 PolarHBondContact O-N 3.15Å; M260-K264 PolarHBondContact O-N 3.06Å
261E49.3Very low48.2Very low130 Ų130134 Ų13461%0.60768%0.679SS**Hα-helixtrans-71.8-34.2174-79.7177.7170.400112.1K257 K264K257-E261 WeakPolarHBondContact O-CB 3.18Å; K257-E261 PolarHBondContact O-N 2.96Å; E261-K264 PolarHBondContact O-N 3.35Å
262A44.2Very low47.3Very low65 Ų65138.3 Ų138.354%0.53769%0.693SS.*Hα-helixtrans-68.1-37.1172.600000112.4K258 K264 K265K258-A262 WeakPolarHBondContact O-CB 2.94Å; K258-A262 PolarHBondContact O-N 2.99Å; A262-K264 VanDerWaalsContact C-N 3.33Å; A262-K264 PolarHBondContact O-N 2.92Å; A262-K265 PolarHBondContact O-N 3.21Å
263K42.6Very low45.6Very low167 Ų167142.7 Ų142.773%0.72671%0.71SS**Hα-helixtrans-74.5-15.5175.9-77.7179.6177.1175.90114.6E259 K265E259-K263 WeakPolarHBondContact O-CB 3.37Å; E259-K263 WeakPolarHBondContact O-CG 3.32Å; E259-K263 PolarHBondContact O-N 3.44Å; K263-K265 VanDerWaalsContact C-N 3.33Å
264K42.8Very low43.7Very low190 Ų190141.4 Ų141.483%0.82672%0.723SS**THydrogen-bonded Turntrans-81.1-7174-94.1-176.4175.2-179.60114.4M260 E261 A262M260-K264 PolarHBondContact O-N 3.06Å; E261-K264 PolarHBondContact O-N 3.35Å; A262-K264 VanDerWaalsContact C-N 3.33Å; A262-K264 PolarHBondContact O-N 2.92Å
265K39.7Very low42.7Very low190 Ų190144.7 Ų144.783%0.82674%0.737SS**THydrogen-bonded Turntrans-93.93.8178.3-83.4-171.5174.1-175.30114.8A262 K263A262-K265 PolarHBondContact O-N 3.21Å; K263-K265 VanDerWaalsContact C-N 3.33Å
266T38.3Very low41.5Very low109 Ų109145.4 Ų145.467%0.66975%0.751SS**SBendtrans-143.286-178.3230000111.3
267Q32.5Very low39.8Very low194 Ų194148.5 Ų148.591%0.90777%0.766SS**SBendtrans-170151.7148-105.1169.520.800111.5
268P35.8Very low38.5Very low124 Ų124151.7 Ų151.781%0.80578%0.779SS**  trans-81.1153-157.4-5.623000114.2
269A31.7Very low37.3Very low108 Ų108154 Ų15489%0.89379%0.79SS**  trans-68.4130.9179.300000112.5
270A32.8Very low36.3Very low97 Ų97157.2 Ų157.280%0.80280%0.804SS**  trans-109.2137.2161.700000109.4
271E40.1Very low35.9Very low199 Ų199157.2 Ų157.293%0.9381%0.807SS**  trans-56.1125.7-162.2-64.7169.6150.400115
272K32.7Very low36.1Very low202 Ų202153.9 Ų153.988%0.87881%0.807SS**  trans-121126.2158.4-85.1-176.4177.4177.20108.3A274K272-A274 PolarHBondContact O-N 3.35Å
273K30.3Very low37.5Very low211 Ų211155.3 Ų155.392%0.91781%0.809SS**  trans-36.8123.9178.3-82.4178.8172.2177.70112.4K275K273-K275 PolarHBondContact O-N 2.9Å
274A28.2Very low39.7Very low97 Ų97149.4 Ų149.480%0.80279%0.785SS**PPolyproline II helixtrans-53.2120.5177.400000111.1K272K272-A274 PolarHBondContact O-N 3.35Å
275K33.5Very low41.9Very low190 Ų190143 Ų14383%0.82676%0.761SS**PPolyproline II helixtrans-65.9138.8145.1-84.1179.4173.4178.50106.2K273 E277K273-K275 PolarHBondContact O-N 2.9Å; K275-E277 PolarHBondContact O-N 3.45Å
276P30.7Very low44.4Very low125 Ų125135.4 Ų135.481%0.81273%0.728SS**PPolyproline II helixtrans-56.1122.2177.222.3-29.2000108.2K278P276-K278 PolarHBondContact O-N 3.25Å
277E28.6Very low46.8Very low185 Ų185136.4 Ų136.486%0.86473%0.729SS**PPolyproline II helixtrans-49.4127.1169.7-73.9174.9150.400107.7K275 K279K275-E277 PolarHBondContact O-N 3.45Å; E277-K279 PolarHBondContact O-N 2.84Å
278K33.2Very low49.6Very low208 Ų208130.2 Ų130.290%0.90470%0.701SS**  trans-59.8103.2154.9-97.1-175.6172.5-176.50104.5P276 E280P276-K278 PolarHBondContact O-N 3.25Å; K278-E280 PolarHBondContact O-N 2.81Å; K278-E280 VanDerWaalsContact O-N 3.07Å
279K29.6Very low52.1Low180 Ų180130.5 Ų130.578%0.78370%0.703SS**  trans-43.3120.4163.2-89.5-179.4171.3-179.50106.7E277 L281E277-K279 PolarHBondContact O-N 2.84Å; K279-L281 PolarHBondContact O-N 3.07Å
280E32.6Very low55Low193 Ų193127.3 Ų127.390%0.90267%0.673SS**  trans-5899.4155.5-76.6-174.8160.600105.1K278 G282K278-E280 PolarHBondContact O-N 2.81Å; K278-E280 VanDerWaalsContact O-N 3.07Å; E280-G282 PolarHBondContact O-N 3.19Å
281L43.7Very low57.8Low138 Ų138128 Ų12872%0.72366%0.663SS**  trans-62.3110.5169.9-75.8157.9000104.7K279K279-L281 PolarHBondContact O-N 3.07Å
282G55.5Low60.2Low59 Ų59124 Ų12461%0.60865%0.654SS**  trans-50.8153.817200000110.5E280 I284E280-G282 PolarHBondContact O-N 3.19Å; G282-I284 PolarHBondContact O-N 3.43Å
283V72.8Confident63.2Low96 Ų96114.5 Ų114.558%0.58261%0.614SS**  trans-56.2117.6176.8-178.20000108.2T285V283-T285 HydrophobicContact CG1-CG2 4.23Å; V283-T285 PolarHBondContact O-N 2.92Å
284I88.1Confident66.3Low43 Ų43107.2 Ų107.222%0.22159%0.585CS.*  trans-73.7111.9-178.9-59.9171.5000107.8G282 P303 S305 S307 Y310G282-I284 PolarHBondContact O-N 3.43Å; I284-P303 HydrophobicContact CD1-CB 4.25Å; I284-P303 HydrophobicContact CG2-CB 3.8Å; I284-P303 HydrophobicContact CG2-CG 3.84Å; I284-S305 WeakPolarHBondContact CD1-OG 3.43Å; I284-S307 VanDerWaalsContact O-CB 3.31Å; I284-S307 WeakPolarHBondContact O-CB 3.42Å; I284-S307 PolarHBondContact O-OG 2.94Å; I284-Y310 HydrophobicContact CG2-CD2 4.29Å; I284-Y310 HydrophobicContact CG2-CG 4.42Å
285T89.5Confident69.5Low54 Ų54107 Ų10733%0.33157%0.566SS.*  trans-113.8160.9179.451.40000111.4V283 D287 Y310V283-T285 HydrophobicContact CG1-CG2 4.23Å; V283-T285 PolarHBondContact O-N 2.92Å; T285-D287 WeakPolarHBondContact CB-OD1 3.36Å; T285-D287 PolarHBondContact OG1-OD1 2.83Å; T285-D287 PolarHBondContact OG1-OD2 2.66Å; T285-Y310 WeakPolarHBondContact O-CD2 3.49Å
286Y91.8Very high72.4Confident31 Ų3198.2 Ų98.212%0.12253%0.528CS..  trans-93.3104.3172.7177.3-98.5000109.3I288 T290 K296 D297 Y310 A313Y286-I288 HydrophobicContact CE1-CB 4.1Å; Y286-I288 WeakPolarHBondContact CE1-O 3.41Å; Y286-I288 HydrophobicContact CE2-CB 3.91Å; Y286-I288 HydrophobicContact CE2-CD1 3.91Å; Y286-I288 HydrophobicContact CE2-CG1 4.13Å; Y286-T290 VanDerWaalsContact CE1-OG1 3.27Å; Y286-T290 WeakPolarHBondContact CE1-OG1 3.25Å; Y286-T290 PolarHBondContact OH-OG1 2.73Å; Y286-K296 HydrophobicContact CD2-CD 4.39Å; Y286-K296 HydrophobicContact CD2-CG 4.33Å; Y286-K296 HydrophobicContact CE1-CG 4.15Å; Y286-K296 HydrophobicContact CE2-CD 4.13Å; Y286-K296 HydrophobicContact CE2-CG 3.63Å; Y286-D297 PolarHBondContact OH-N 2.91Å; Y286-D297 VanDerWaalsContact OH-N 3.07Å; Y286-Y310 HydrophobicContact CD2-CD2 4.33Å; Y286-Y310 AromaticContact CD2-CE2 3.88Å; Y286-Y310 HydrophobicContact CD2-CE2 3.88Å; Y286-A313 HydrophobicContact CD1-CB 4.06Å; Y286-A313 HydrophobicContact CG-CB 4.16Å
287D89.1Confident75.4Confident131 Ų13195.3 Ų95.370%0.70151%0.505SS*.  trans-102.52.9-171.9-53.1-36.9000113.4T285 P289T285-D287 WeakPolarHBondContact CB-OD1 3.36Å; T285-D287 PolarHBondContact OG1-OD1 2.83Å; T285-D287 PolarHBondContact OG1-OD2 2.66Å; D287-P289 WeakPolarHBondContact O-CD 3.46Å
288I90.3Very high78.4Confident63 Ų6387.6 Ų87.632%0.32347%0.471SS..SBendtrans-74.1122.8177.8-57.6175.4000108.7Y286 T290 D297Y286-I288 HydrophobicContact CE1-CB 4.1Å; Y286-I288 WeakPolarHBondContact CE1-O 3.41Å; Y286-I288 HydrophobicContact CE2-CB 3.91Å; Y286-I288 HydrophobicContact CE2-CD1 3.91Å; Y286-I288 HydrophobicContact CE2-CG1 4.13Å; I288-T290 PolarHBondContact O-N 2.98Å; I288-T290 PolarHBondContact O-OG1 3.48Å; I288-D297 HydrophobicContact CD1-CB 4.21Å; I288-D297 HydrophobicContact CG2-CB 4.4Å
289P88.8Confident80.9Confident131 Ų13184.1 Ų84.185%0.85147%0.467SS*.  trans-59.6108.7178.4-21.732.6000111D287D287-P289 WeakPolarHBondContact O-CD 3.46Å
290T92.7Very high83.4Confident40 Ų4077.5 Ų77.525%0.24544%0.443CS..  trans-125.3120.5177.5-54.30000107.8Y286 I288 D294 A314Y286-T290 VanDerWaalsContact CE1-OG1 3.27Å; Y286-T290 WeakPolarHBondContact CE1-OG1 3.25Å; Y286-T290 PolarHBondContact OH-OG1 2.73Å; I288-T290 PolarHBondContact O-N 2.98Å; I288-T290 PolarHBondContact O-OG1 3.48Å; T290-D294 HydrophobicContact CG2-CB 4.19Å; T290-A314 HydrophobicContact CG2-CB 4.12Å
291N92.3Very high85.9Confident111 Ų11172.6 Ų72.659%0.59444%0.436SS*.  trans-64.5147.4-179.9-56.9-48.7000110G293 D294N291-G293 PolarHBondContact O-N 3.1Å; N291-G293 VanDerWaalsContact O-N 3.11Å; N291-D294 WeakPolarHBondContact CB-OD2 3.39Å; N291-D294 PolarHBondContact ND2-OD2 2.71Å; N291-D294 PolarHBondContact O-N 3.12Å
292P90.9Very high88.1Confident116 Ų11666.8 Ų66.875%0.75341%0.405SS*.THydrogen-bonded Turntrans-51.9121.2174.5-27.835.6000112
293G94.1Very high89.8Confident3 Ų365.1 Ų65.13%0.03138%0.384CS..THydrogen-bonded Turntrans92-8.2178.600000115.1N291 P317 W318 K321N291-G293 PolarHBondContact O-N 3.1Å; N291-G293 VanDerWaalsContact O-N 3.11Å; G293-P317 WeakPolarHBondContact CA-O 3.3Å; G293-W318 WeakPolarHBondContact O-CA 3.31Å; G293-W318 VanDerWaalsContact O-CD1 3.28Å; G293-K321 WeakPolarHBondContact O-CD 3.46Å
294D96.2Very high90.6Very high58 Ų5867.1 Ų67.131%0.3139%0.391SS..SBendtrans-80.3151.2171.2-66.3-11.5000110.3T290 N291 K296 K321T290-D294 HydrophobicContact CG2-CB 4.19Å; N291-D294 WeakPolarHBondContact CB-OD2 3.39Å; N291-D294 PolarHBondContact ND2-OD2 2.71Å; N291-D294 PolarHBondContact O-N 3.12Å; D294-K296 PolarHBondContact O-N 3.29Å; D294-K321 IonicContact OD1-NZ 2.88Å; D294-K321 PolarHBondContact OD1-NZ 3.01Å
295K95.5Very high90.8Very high93 Ų9366.9 Ų66.940%0.40439%0.393SS..PPolyproline II helixtrans-65133-179.4-169.7-179.2178.4-178.50109.3W315 W318K295-W315 HydrophobicContact CG-CZ3 4.1Å; K295-W318 HydrophobicContact CB-CD2 4.33Å; K295-W318 HydrophobicContact CB-CG 4.31Å; K295-W318 HydrophobicContact CB-CZ2 4.39Å; K295-W318 HydrophobicContact CD-CH2 4.37Å; K295-W318 HydrophobicContact CD-CZ2 3.89Å; K295-W318 HydrophobicContact CG-CD2 4.22Å; K295-W318 HydrophobicContact CG-CH2 4.4Å; K295-W318 HydrophobicContact CG-CZ2 3.93Å
296K94.9Very high91.1Very high4 Ų464.7 Ų64.72%0.01738%0.379CS..PPolyproline II helixtrans-57.1141174.9-167.7-173.6178.4-177.60111.4Y286 D294 V298 Y310 A314 W315 E1079Y286-K296 HydrophobicContact CD2-CD 4.39Å; Y286-K296 HydrophobicContact CD2-CG 4.33Å; Y286-K296 HydrophobicContact CE1-CG 4.15Å; Y286-K296 HydrophobicContact CE2-CD 4.13Å; Y286-K296 HydrophobicContact CE2-CG 3.63Å; D294-K296 PolarHBondContact O-N 3.29Å; K296-V298 PolarHBondContact O-N 2.89Å; K296-Y310 PolarHBondContact NZ-O 2.92Å; K296-A314 HydrophobicContact CB-CB 4.04Å; K296-A314 HydrophobicContact CG-CB 4.24Å; K296-W315 HydrophobicContact CB-CD2 4.33Å; K296-W315 HydrophobicContact CB-CE3 4.26Å; K296-W315 HydrophobicContact CB-CH2 3.7Å; K296-W315 HydrophobicContact CB-CZ2 3.79Å; K296-W315 HydrophobicContact CB-CZ3 3.95Å; K296-W315 HydrophobicContact CD-CH2 4.47Å; K296-W315 HydrophobicContact CD-CZ2 3.71Å; K296-W315 HydrophobicContact CG-CZ2 4.33Å; K296-E1079 WeakPolarHBondContact CD-OE2 3.5Å; K296-E1079 IonicContact NZ-OE1 3.93Å; K296-E1079 PolarHBondContact NZ-OE1 2.79Å; K296-E1079 IonicContact NZ-OE2 3.87Å; K296-E1079 PolarHBondContact NZ-OE2 3.04Å
297D92.3Very high91.3Very high64 Ų6463.5 Ų63.534%0.34238%0.375SS..PPolyproline II helixtrans-74.2117.6170.8-172.7-15.3000110.2Y286 I288 V299Y286-D297 PolarHBondContact OH-N 2.91Å; Y286-D297 VanDerWaalsContact OH-N 3.07Å; I288-D297 HydrophobicContact CD1-CB 4.21Å; I288-D297 HydrophobicContact CG2-CB 4.4Å; D297-V299 WeakPolarHBondContact OD1-CB 3.4Å; D297-V299 PolarHBondContact OD1-N 3.22Å
298V91.8Very high91.6Very high23 Ų2357.4 Ų57.414%0.13934%0.343CS..  trans-115.57.5178.5-620000113K296 S300 W315 Q1082 R1083K296-V298 PolarHBondContact O-N 2.89Å; V298-S300 VanDerWaalsContact C-N 3.32Å; V298-W315 HydrophobicContact CG1-CH2 3.73Å; V298-W315 HydrophobicContact CG1-CZ2 3.7Å; V298-Q1082 HydrophobicContact CG1-CB 4.19Å; V298-Q1082 HydrophobicContact CG2-CB 4.02Å; V298-R1083 HydrophobicContact CB-CG 3.95Å; V298-R1083 HydrophobicContact CG2-CG 4.49Å
299V85.9Confident91.7Very high135 Ų13558.4 Ų58.482%0.81835%0.346SS*.  trans-73.7-30.2177-176.10000110.6D297D297-V299 WeakPolarHBondContact OD1-CB 3.4Å; D297-V299 PolarHBondContact OD1-N 3.22Å
300S82.1Confident92Very high41 Ų4152.8 Ų52.829%0.28731%0.308SS..SBendtrans-61.1146.417462.70000112.6V298V298-S300 VanDerWaalsContact C-N 3.32Å
301A85.1Confident92.2Very high91 Ų9150.9 Ų50.975%0.75230%0.296SS*.PPolyproline II helixtrans-60.7141.3178.900000111.5P303A301-P303 WeakPolarHBondContact O-CD 3.27Å
302L90.1Very high92.4Very high15 Ų1547.1 Ų47.18%0.07928%0.275CS..PPolyproline II helixtrans-61.3128.8176.7-75.3166.3000111W958 K962 M965 R1083L302-W958 HydrophobicContact CB-CZ2 3.9Å; L302-W958 HydrophobicContact CD2-CD2 4.31Å; L302-W958 HydrophobicContact CD2-CE3 4.19Å; L302-W958 HydrophobicContact CD2-CH2 3.22Å; L302-W958 HydrophobicContact CD2-CZ2 3.35Å; L302-W958 HydrophobicContact CD2-CZ3 3.65Å; L302-W958 HydrophobicContact CG-CH2 4.49Å; L302-W958 HydrophobicContact CG-CZ2 4.22Å; L302-K962 HydrophobicContact CB-CD 4.21Å; L302-K962 HydrophobicContact CD1-CB 3.96Å; L302-K962 HydrophobicContact CD1-CG 4.35Å; L302-K962 PolarHBondContact O-NZ 2.81Å; L302-M965 HydrophobicContact CD1-SD 3.97Å; L302-R1083 VanDerWaalsContact CD2-NE 3.28Å
303P92.4Very high92.6Very high25 Ų2542.9 Ų42.916%0.16225%0.25CS..PPolyproline II helixtrans-46155.9167.4-29.328.6000114.3I284 A301 S305 Y310 W958 K962I284-P303 HydrophobicContact CD1-CB 4.25Å; I284-P303 HydrophobicContact CG2-CB 3.8Å; I284-P303 HydrophobicContact CG2-CG 3.84Å; A301-P303 WeakPolarHBondContact O-CD 3.27Å; P303-S305 PolarHBondContact O-N 3.4Å; P303-Y310 HydrophobicContact CG-CD1 4.23Å; P303-Y310 HydrophobicContact CG-CD2 4.01Å; P303-Y310 HydrophobicContact CG-CE1 4.05Å; P303-Y310 HydrophobicContact CG-CE2 3.81Å; P303-Y310 HydrophobicContact CG-CG 4.22Å; P303-W958 HydrophobicContact CB-CZ2 4.1Å; P303-W958 HydrophobicContact CG-CZ2 4.09Å; P303-W958 PolarHBondContact O-NE1 3.38Å; P303-K962 PolarHBondContact O-NZ 3.44Å
304D89.4Confident92.6Very high137 Ų13744 Ų4473%0.73326%0.259SS*.SBendtrans-66.9-20.8-177.1-74.2-22.7000114.5K962D304-K962 IonicContact OD1-NZ 2.73Å; D304-K962 PolarHBondContact OD1-NZ 3.49Å
305S92.3Very high92.7Very high38 Ų3841.3 Ų41.327%0.26625%0.245SC..SBendtrans-142153.1174.857.90000110.9I284 P303I284-S305 WeakPolarHBondContact CD1-OG 3.43Å; P303-S305 PolarHBondContact O-N 3.4Å
306Y95.1Very high92.8Very high9 Ų937.7 Ų37.74%0.03523%0.229CC..  trans-63.7134.6174.1167.9-100.3000111.5P308 V311 R951 C954 N955 W958 V1076Y306-P308 HydrophobicContact CE1-CG 3.75Å; Y306-V311 HydrophobicContact CD2-CG2 3.74Å; Y306-V311 HydrophobicContact CE2-CB 4.04Å; Y306-V311 HydrophobicContact CE2-CG1 4.27Å; Y306-V311 HydrophobicContact CE2-CG2 3.61Å; Y306-R951 HydrophobicContact CD1-CG 4.43Å; Y306-R951 HydrophobicContact CE1-CG 4.09Å; Y306-C954 HydrophobicContact CD1-CB 3.85Å; Y306-C954 HydrophobicContact CD2-CB 4.19Å; Y306-C954 HydrophobicContact CE1-CB 3.49Å; Y306-C954 VanDerWaalsContact CE1-CB 3.49Å; Y306-C954 HydrophobicContact CE2-CB 3.85Å; Y306-C954 HydrophobicContact CG-CB 4.18Å; Y306-C954 VanDerWaalsContact CZ-CB 3.5Å; Y306-N955 WeakPolarHBondContact CB-OD1 3.33Å; Y306-N955 HydrophobicContact CD1-CB 4.46Å; Y306-N955 PolarHBondContact N-OD1 3.36Å; Y306-W958 HydrophobicContact CD2-CE3 4.12Å; Y306-V1076 HydrophobicContact CD2-CG2 4.37Å; Y306-V1076 HydrophobicContact CE2-CB 4.42Å; Y306-V1076 HydrophobicContact CE2-CG2 4.02Å
307S95.4Very high92.9Very high6 Ų640 Ų404%0.04224%0.244CC..  trans-133.8123.3171.1170.10000109.7I284 Q309 Y310 V311I284-S307 VanDerWaalsContact O-CB 3.31Å; I284-S307 WeakPolarHBondContact O-CB 3.42Å; I284-S307 PolarHBondContact O-OG 2.94Å; S307-Q309 VanDerWaalsContact C-N 3.27Å; S307-Q309 PolarHBondContact O-N 3.11Å; S307-Q309 PolarHBondContact OG-N 3.34Å; S307-Y310 PolarHBondContact O-N 2.95Å; S307-V311 WeakPolarHBondContact O-CG2 3.26Å; S307-V311 PolarHBondContact O-N 3.48Å
308P95.4Very high93.2Very high2 Ų237.5 Ų37.51%0.01323%0.23CC..Hα-helixtrans-54.6-41.8175-25.934000112.9Y306 Y310 V311 E312Y306-P308 HydrophobicContact CE1-CG 3.75Å; P308-Y310 VanDerWaalsContact C-N 3.34Å; P308-Y310 PolarHBondContact O-N 3.48Å; P308-V311 PolarHBondContact O-N 3.44Å; P308-E312 WeakPolarHBondContact O-CB 3.34Å; P308-E312 WeakPolarHBondContact O-CG 3.49Å; P308-E312 PolarHBondContact O-N 3.02Å
309Q93.7Very high93.5Very high84 Ų8436.4 Ų36.439%0.39322%0.223SC..Hα-helixtrans-62.8-40.7-179.3-60.1-172.211.700112.5S307 A313 E920S307-Q309 VanDerWaalsContact C-N 3.27Å; S307-Q309 PolarHBondContact O-N 3.11Å; S307-Q309 PolarHBondContact OG-N 3.34Å; Q309-A313 WeakPolarHBondContact O-CB 3.02Å; Q309-E920 WeakPolarHBondContact CG-OE1 3.33Å; Q309-E920 PolarHBondContact NE2-OE1 3.05Å
310Y95.3Very high94Very high13 Ų1333 Ų335%0.05120%0.198CC..Hα-helixtrans-65.4-48.9173.9178.5-87.1000110.3I284 T285 Y286 K296 P303 S307 P308 W958 E1079 R1083I284-Y310 HydrophobicContact CG2-CD2 4.29Å; I284-Y310 HydrophobicContact CG2-CG 4.42Å; T285-Y310 WeakPolarHBondContact O-CD2 3.49Å; Y286-Y310 HydrophobicContact CD2-CD2 4.33Å; Y286-Y310 AromaticContact CD2-CE2 3.88Å; Y286-Y310 HydrophobicContact CD2-CE2 3.88Å; K296-Y310 PolarHBondContact NZ-O 2.92Å; P303-Y310 HydrophobicContact CG-CD1 4.23Å; P303-Y310 HydrophobicContact CG-CD2 4.01Å; P303-Y310 HydrophobicContact CG-CE1 4.05Å; P303-Y310 HydrophobicContact CG-CE2 3.81Å; P303-Y310 HydrophobicContact CG-CG 4.22Å; S307-Y310 PolarHBondContact O-N 2.95Å; P308-Y310 VanDerWaalsContact C-N 3.34Å; P308-Y310 PolarHBondContact O-N 3.48Å; Y310-W958 AromaticContact CD1-CH2 3.86Å; Y310-W958 HydrophobicContact CD1-CH2 3.86Å; Y310-W958 AromaticContact CE1-CH2 3.78Å; Y310-W958 HydrophobicContact CE1-CH2 3.78Å; Y310-E1079 VanDerWaalsContact CE1-OE1 3.26Å; Y310-E1079 WeakPolarHBondContact CE1-OE1 3.45Å; Y310-R1083 PolarHBondContact OH-NH2 2.66Å
311V96.1Very high94.7Very high0 Ų037 Ų370%021%0.211CC..Hα-helixtrans-67.2-48.3-172.4169.90000112.2Y306 S307 P308 A313 W315 W958 F1075 V1076 E1079Y306-V311 HydrophobicContact CD2-CG2 3.74Å; Y306-V311 HydrophobicContact CE2-CB 4.04Å; Y306-V311 HydrophobicContact CE2-CG1 4.27Å; Y306-V311 HydrophobicContact CE2-CG2 3.61Å; S307-V311 WeakPolarHBondContact O-CG2 3.26Å; S307-V311 PolarHBondContact O-N 3.48Å; P308-V311 PolarHBondContact O-N 3.44Å; V311-A313 VanDerWaalsContact C-N 3.25Å; V311-A313 PolarHBondContact O-N 2.77Å; V311-W315 PolarHBondContact O-NE1 3.01Å; V311-W315 VanDerWaalsContact O-NE1 3.11Å; V311-W958 HydrophobicContact CG2-CE3 4.17Å; V311-W958 HydrophobicContact CG2-CH2 4.11Å; V311-W958 HydrophobicContact CG2-CZ3 3.49Å; V311-W958 VanDerWaalsContact CG2-CZ3 3.49Å; V311-F1075 HydrophobicContact CG1-CB 4.17Å; V311-V1076 HydrophobicContact CG1-CB 4.19Å; V311-E1079 HydrophobicContact CG1-CB 3.97Å; V311-E1079 HydrophobicContact CG1-CG 4.23Å; V311-E1079 HydrophobicContact CG2-CG 4.19Å
312E96.3Very high95.3Very high32 Ų3236.9 Ų36.915%0.1520%0.195CC..Hα-helixtrans-75.6-13.4-173.2-63.2178.2-158.900113.5P308 G922 T923 F1075P308-E312 WeakPolarHBondContact O-CB 3.34Å; P308-E312 WeakPolarHBondContact O-CG 3.49Å; P308-E312 PolarHBondContact O-N 3.02Å; E312-G922 WeakPolarHBondContact OE1-CA 3.25Å; E312-T923 WeakPolarHBondContact OE1-CB 3.5Å; E312-T923 PolarHBondContact OE1-N 3.06Å; E312-T923 PolarHBondContact OE1-OG1 3.25Å; E312-T923 PolarHBondContact OE2-OG1 3.22Å; E312-F1075 HydrophobicContact CB-CD1 4Å; E312-F1075 HydrophobicContact CB-CE1 4.32Å; E312-F1075 HydrophobicContact CB-CG 4.28Å; E312-F1075 HydrophobicContact CG-CB 3.87Å; E312-F1075 HydrophobicContact CG-CD1 4.01Å; E312-F1075 HydrophobicContact CG-CD2 4.15Å; E312-F1075 HydrophobicContact CG-CG 3.76Å
313A94.5Very high95.6Very high28 Ų2836.7 Ų36.723%0.23120%0.196CC..THydrogen-bonded Turntrans-59.8141.1179.200000112.4Y286 Q309 V311 W315Y286-A313 HydrophobicContact CD1-CB 4.06Å; Y286-A313 HydrophobicContact CG-CB 4.16Å; Q309-A313 WeakPolarHBondContact O-CB 3.02Å; V311-A313 VanDerWaalsContact C-N 3.25Å; V311-A313 PolarHBondContact O-N 2.77Å; A313-W315 PolarHBondContact O-N 2.71Å
314A95.3Very high95.8Very high27 Ų2735.6 Ų35.622%0.22319%0.189CC..THydrogen-bonded Turntrans62.8-19.8174.400000118.1T290 K296 P317 W318T290-A314 HydrophobicContact CG2-CB 4.12Å; K296-A314 HydrophobicContact CB-CB 4.04Å; K296-A314 HydrophobicContact CG-CB 4.24Å; A314-P317 WeakPolarHBondContact O-CD 3.44Å; A314-W318 PolarHBondContact O-N 3.35Å
315W97.6Very high96.2Very high0 Ų029.3 Ų29.30%016%0.155CC..Hα-helixtrans-65.4-47.8-176.5-68.6126.7000114.4K295 K296 V298 V311 A313 W318 W319 F1075 E1078 E1079 Q1082K295-W315 HydrophobicContact CG-CZ3 4.1Å; K296-W315 HydrophobicContact CB-CD2 4.33Å; K296-W315 HydrophobicContact CB-CE3 4.26Å; K296-W315 HydrophobicContact CB-CH2 3.7Å; K296-W315 HydrophobicContact CB-CZ2 3.79Å; K296-W315 HydrophobicContact CB-CZ3 3.95Å; K296-W315 HydrophobicContact CD-CH2 4.47Å; K296-W315 HydrophobicContact CD-CZ2 3.71Å; K296-W315 HydrophobicContact CG-CZ2 4.33Å; V298-W315 HydrophobicContact CG1-CH2 3.73Å; V298-W315 HydrophobicContact CG1-CZ2 3.7Å; V311-W315 PolarHBondContact O-NE1 3.01Å; V311-W315 VanDerWaalsContact O-NE1 3.11Å; A313-W315 PolarHBondContact O-N 2.71Å; W315-W318 AromaticContact CE3-CE3 3.68Å; W315-W318 HydrophobicContact CE3-CE3 3.68Å; W315-W318 AromaticContact CE3-CZ3 3.97Å; W315-W318 HydrophobicContact CE3-CZ3 3.97Å; W315-W318 AromaticContact CZ3-CE3 3.93Å; W315-W318 HydrophobicContact CZ3-CE3 3.93Å; W315-W318 AromaticContact CZ3-CZ3 3.93Å; W315-W318 HydrophobicContact CZ3-CZ3 3.93Å; W315-W318 WeakPolarHBondContact O-CB 3.39Å; W315-W318 PolarHBondContact O-N 3.03Å; W315-W318 VanDerWaalsContact O-N 3.15Å; W315-W319 HydrophobicContact CB-CD2 4.36Å; W315-W319 HydrophobicContact CB-CH2 3.96Å; W315-W319 HydrophobicContact CB-CZ2 3.77Å; W315-W319 HydrophobicContact CB-CZ3 4.34Å; W315-W319 HydrophobicContact CG-CZ2 4.33Å; W315-W319 PolarHBondContact O-N 3.36Å; W315-F1075 HydrophobicContact CB-CD1 4.13Å; W315-F1075 HydrophobicContact CB-CE1 4.41Å; W315-E1078 HydrophobicContact CD2-CG 3.78Å; W315-E1078 HydrophobicContact CE3-CG 3.73Å; W315-E1078 HydrophobicContact CG-CG 4.32Å; W315-E1078 HydrophobicContact CH2-CG 4.42Å; W315-E1078 HydrophobicContact CZ2-CG 4.44Å; W315-E1078 HydrophobicContact CZ3-CG 4.06Å; W315-E1079 VanDerWaalsContact CE2-OE2 3.24Å; W315-E1079 VanDerWaalsContact CZ2-OE2 3.25Å; W315-E1079 WeakPolarHBondContact CZ2-OE2 3.31Å; W315-E1079 PolarHBondContact NE1-OE2 2.79Å; W315-Q1082 HydrophobicContact CH2-CB 4.11Å; W315-Q1082 HydrophobicContact CH2-CG 3.72Å; W315-Q1082 HydrophobicContact CZ2-CG 4.43Å; W315-Q1082 HydrophobicContact CZ3-CG 4.16Å
316Y97.8Very high96.5Very high18 Ų1830.4 Ų30.47%0.07116%0.155CC..Hα-helixtrans-61.4-50.5-174.7-165.4-80.4000113.1W318 W319 E320 F325 K438 S442 W446 F1075Y316-W318 PolarHBondContact O-N 3.22Å; Y316-W319 AromaticContact CD2-CE3 3.94Å; Y316-W319 HydrophobicContact CD2-CE3 3.94Å; Y316-W319 HydrophobicContact CD2-CZ3 4.11Å; Y316-W319 HydrophobicContact CG-CE3 4.41Å; Y316-W319 PolarHBondContact O-N 3.3Å; Y316-E320 PolarHBondContact O-N 3.42Å; Y316-E320 VanDerWaalsContact O-N 3.08Å; Y316-F325 HydrophobicContact CE2-CE2 4.06Å; Y316-F325 HydrophobicContact CE2-CZ 4.33Å; Y316-F325 AromaticContact CZ-CE2 3.93Å; Y316-K438 HydrophobicContact CD1-CB 4.08Å; Y316-K438 HydrophobicContact CD1-CD 4.41Å; Y316-K438 HydrophobicContact CD1-CG 4.33Å; Y316-K438 WeakPolarHBondContact CD2-O 3.12Å; Y316-K438 HydrophobicContact CE1-CB 3.57Å; Y316-K438 HydrophobicContact CE1-CD 3.68Å; Y316-K438 HydrophobicContact CE1-CG 3.43Å; Y316-K438 VanDerWaalsContact CE1-CG 3.43Å; Y316-K438 HydrophobicContact CE2-CB 4.34Å; Y316-K438 VanDerWaalsContact CE2-O 3.24Å; Y316-K438 WeakPolarHBondContact CE2-O 3.4Å; Y316-S442 VanDerWaalsContact CE2-O 3.3Å; Y316-S442 WeakPolarHBondContact CE2-O 3.45Å; Y316-S442 PolarHBondContact OH-O 2.8Å; Y316-W446 AromaticContact CE1-NE1 3.99Å; Y316-W446 AromaticContact CZ-NE1 3.79Å; Y316-W446 VanDerWaalsContact OH-CE2 3.31Å; Y316-W446 VanDerWaalsContact OH-CZ2 3.32Å; Y316-W446 WeakPolarHBondContact OH-CZ2 3.32Å; Y316-W446 PolarHBondContact OH-NE1 3.37Å; Y316-F1075 HydrophobicContact CD2-CZ 4.29Å
317P97.1Very high96.5Very high53 Ų5330.3 Ų30.334%0.34416%0.155SC..Hα-helixtrans-57.4-36.2174.9-26.136.8000113G293 A314 K321G293-P317 WeakPolarHBondContact CA-O 3.3Å; A314-P317 WeakPolarHBondContact O-CD 3.44Å; P317-K321 WeakPolarHBondContact O-CB 3.3Å; P317-K321 PolarHBondContact O-N 3.26Å
318W98.1Very high96.5Very high11 Ų1133.1 Ų33.14%0.04217%0.168CC..Hα-helixtrans-67-47.9178.317568.1000111.6G293 K295 A314 W315 Y316 E320 K321 Q322 F324 P1094G293-W318 WeakPolarHBondContact O-CA 3.31Å; G293-W318 VanDerWaalsContact O-CD1 3.28Å; K295-W318 HydrophobicContact CB-CD2 4.33Å; K295-W318 HydrophobicContact CB-CG 4.31Å; K295-W318 HydrophobicContact CB-CZ2 4.39Å; K295-W318 HydrophobicContact CD-CH2 4.37Å; K295-W318 HydrophobicContact CD-CZ2 3.89Å; K295-W318 HydrophobicContact CG-CD2 4.22Å; K295-W318 HydrophobicContact CG-CH2 4.4Å; K295-W318 HydrophobicContact CG-CZ2 3.93Å; A314-W318 PolarHBondContact O-N 3.35Å; W315-W318 AromaticContact CE3-CE3 3.68Å; W315-W318 HydrophobicContact CE3-CE3 3.68Å; W315-W318 AromaticContact CE3-CZ3 3.97Å; W315-W318 HydrophobicContact CE3-CZ3 3.97Å; W315-W318 AromaticContact CZ3-CE3 3.93Å; W315-W318 HydrophobicContact CZ3-CE3 3.93Å; W315-W318 AromaticContact CZ3-CZ3 3.93Å; W315-W318 HydrophobicContact CZ3-CZ3 3.93Å; W315-W318 WeakPolarHBondContact O-CB 3.39Å; W315-W318 PolarHBondContact O-N 3.03Å; W315-W318 VanDerWaalsContact O-N 3.15Å; Y316-W318 PolarHBondContact O-N 3.22Å; W318-E320 VanDerWaalsContact C-N 3.27Å; W318-E320 PolarHBondContact O-N 3.15Å; W318-K321 PolarHBondContact O-N 2.72Å; W318-Q322 HydrophobicContact CD2-CG 4.37Å; W318-Q322 HydrophobicContact CG-CG 4.32Å; W318-Q322 HydrophobicContact CZ2-CG 4.48Å; W318-Q322 WeakPolarHBondContact O-CB 3.48Å; W318-Q322 VanDerWaalsContact O-CG 3.27Å; W318-Q322 WeakPolarHBondContact O-CG 3.36Å; W318-Q322 PolarHBondContact O-N 2.69Å; W318-F324 HydrophobicContact CD2-CE2 4.31Å; W318-F324 HydrophobicContact CE3-CE2 4.08Å; W318-F324 AromaticContact CH2-CE2 3.72Å; W318-F324 HydrophobicContact CH2-CE2 3.72Å; W318-F324 HydrophobicContact CH2-CZ 4.09Å; W318-F324 AromaticContact CZ2-CE2 3.9Å; W318-F324 HydrophobicContact CZ2-CE2 3.9Å; W318-F324 AromaticContact CZ2-CZ 3.96Å; W318-F324 HydrophobicContact CZ2-CZ 3.96Å; W318-F324 AromaticContact CZ3-CE2 3.8Å; W318-F324 HydrophobicContact CZ3-CE2 3.8Å; W318-P1094 WeakPolarHBondContact CH2-O 3.46Å
319W98.2Very high96.5Very high0 Ų036.9 Ų36.90%018%0.184CC..Hα-helixtrans-56.7-42.3176.4-61.7-35.2000112.5W315 Y316 G323 F324 F325 P1074 F1075 E1078W315-W319 HydrophobicContact CB-CD2 4.36Å; W315-W319 HydrophobicContact CB-CH2 3.96Å; W315-W319 HydrophobicContact CB-CZ2 3.77Å; W315-W319 HydrophobicContact CB-CZ3 4.34Å; W315-W319 HydrophobicContact CG-CZ2 4.33Å; W315-W319 PolarHBondContact O-N 3.36Å; Y316-W319 AromaticContact CD2-CE3 3.94Å; Y316-W319 HydrophobicContact CD2-CE3 3.94Å; Y316-W319 HydrophobicContact CD2-CZ3 4.11Å; Y316-W319 HydrophobicContact CG-CE3 4.41Å; Y316-W319 PolarHBondContact O-N 3.3Å; W319-G323 PolarHBondContact O-N 3.27Å; W319-F324 HydrophobicContact CB-CD2 4.12Å; W319-F324 AromaticContact CD1-CD2 3.7Å; W319-F324 HydrophobicContact CG-CD2 4.27Å; W319-F324 PolarHBondContact O-N 3.47Å; W319-F325 HydrophobicContact CB-CE1 3.78Å; W319-F325 HydrophobicContact CB-CE2 4.08Å; W319-F325 HydrophobicContact CB-CZ 3.42Å; W319-F325 VanDerWaalsContact CB-CZ 3.42Å; W319-F325 HydrophobicContact CD2-CZ 4.19Å; W319-F325 AromaticContact CE3-CZ 3.86Å; W319-F325 HydrophobicContact CE3-CZ 3.86Å; W319-F325 HydrophobicContact CG-CE1 4.31Å; W319-F325 HydrophobicContact CG-CZ 4.09Å; W319-P1074 HydrophobicContact CH2-CB 4.1Å; W319-F1075 AromaticContact CH2-CD1 3.52Å; W319-F1075 HydrophobicContact CH2-CD1 3.52Å; W319-F1075 HydrophobicContact CH2-CD2 4.5Å; W319-F1075 AromaticContact CH2-CE1 3.71Å; W319-F1075 HydrophobicContact CH2-CE1 3.71Å; W319-F1075 AromaticContact CH2-CG 3.97Å; W319-F1075 HydrophobicContact CH2-CG 3.97Å; W319-F1075 HydrophobicContact CH2-CZ 4.28Å; W319-F1075 AromaticContact CZ3-CD1 3.85Å; W319-F1075 HydrophobicContact CZ3-CD1 3.85Å; W319-F1075 AromaticContact CZ3-CE1 3.5Å; W319-F1075 HydrophobicContact CZ3-CE1 3.5Å; W319-F1075 HydrophobicContact CZ3-CE2 4.45Å; W319-F1075 HydrophobicContact CZ3-CG 4.49Å; W319-F1075 AromaticContact CZ3-CZ 3.84Å; W319-F1075 HydrophobicContact CZ3-CZ 3.84Å; W319-E1078 HydrophobicContact CZ2-CB 3.73Å; W319-E1078 HydrophobicContact CZ2-CG 3.8Å; W319-E1078 PolarHBondContact NE1-OE2 2.76Å
320E96.8Very high96.2Very high62 Ų6236.7 Ų36.729%0.2921%0.205SC..Hα-helixtrans-64.4-50.3177.6-174.4172.9-176.100111.4Y316 W318 Q322 G323 K438Y316-E320 PolarHBondContact O-N 3.42Å; Y316-E320 VanDerWaalsContact O-N 3.08Å; W318-E320 VanDerWaalsContact C-N 3.27Å; W318-E320 PolarHBondContact O-N 3.15Å; E320-Q322 VanDerWaalsContact C-N 3.31Å; E320-Q322 PolarHBondContact O-N 2.99Å; E320-G323 PolarHBondContact O-N 3.44Å; E320-K438 IonicContact OE1-NZ 3.2Å; E320-K438 PolarHBondContact OE1-NZ 2.82Å; E320-K438 IonicContact OE2-NZ 2.98Å; E320-K438 PolarHBondContact OE2-NZ 2.88Å
321K97Very high96Very high127 Ų12738.9 Ų38.955%0.55221%0.213SC*.Hα-helixtrans-61.7-36.8179.6-175.4-179.4176.2-178.70112.7G293 D294 P317 W318 G323G293-K321 WeakPolarHBondContact O-CD 3.46Å; D294-K321 IonicContact OD1-NZ 2.88Å; D294-K321 PolarHBondContact OD1-NZ 3.01Å; P317-K321 WeakPolarHBondContact O-CB 3.3Å; P317-K321 PolarHBondContact O-N 3.26Å; W318-K321 PolarHBondContact O-N 2.72Å; K321-G323 PolarHBondContact O-N 3.28Å
322Q97.1Very high95.7Very high88 Ų8848.5 Ų48.541%0.41126%0.255SS..THydrogen-bonded Turntrans-76.5-8.9177.9-63.4-57.8-61.200113.4W318 E320 F324W318-Q322 HydrophobicContact CD2-CG 4.37Å; W318-Q322 HydrophobicContact CG-CG 4.32Å; W318-Q322 HydrophobicContact CZ2-CG 4.48Å; W318-Q322 WeakPolarHBondContact O-CB 3.48Å; W318-Q322 VanDerWaalsContact O-CG 3.27Å; W318-Q322 WeakPolarHBondContact O-CG 3.36Å; W318-Q322 PolarHBondContact O-N 2.69Å; E320-Q322 VanDerWaalsContact C-N 3.31Å; E320-Q322 PolarHBondContact O-N 2.99Å; Q322-F324 VanDerWaalsContact C-N 3.31Å; Q322-F324 HydrophobicContact CB-CD1 3.83Å; Q322-F324 HydrophobicContact CB-CD2 4.06Å; Q322-F324 HydrophobicContact CB-CE1 3.45Å; Q322-F324 VanDerWaalsContact CB-CE1 3.45Å; Q322-F324 HydrophobicContact CB-CE2 3.68Å; Q322-F324 HydrophobicContact CB-CG 4.11Å; Q322-F324 HydrophobicContact CB-CZ 3.36Å; Q322-F324 HydrophobicContact CG-CE1 4.18Å; Q322-F324 HydrophobicContact CG-CE2 3.96Å; Q322-F324 HydrophobicContact CG-CZ 3.64Å; Q322-F324 PolarHBondContact O-N 2.89Å
323G96.9Very high95.5Very high11 Ų1149.1 Ų49.111%0.11326%0.263CS..THydrogen-bonded Turntrans7121.1179.600000114.1W319 E320 K321 F325 K326W319-G323 PolarHBondContact O-N 3.27Å; E320-G323 PolarHBondContact O-N 3.44Å; K321-G323 PolarHBondContact O-N 3.28Å; G323-F325 PolarHBondContact O-N 2.83Å; G323-K326 WeakPolarHBondContact O-CB 3.29Å; G323-K326 PolarHBondContact O-N 2.91Å
324F97.5Very high95.5Very high1 Ų148.2 Ų48.20%0.00425%0.254CS..THydrogen-bonded Turntrans-61.1-19.6-178.2-62.9-29.6000113.9W318 W319 Q322 F329 R375 P1094 V1098W318-F324 HydrophobicContact CD2-CE2 4.31Å; W318-F324 HydrophobicContact CE3-CE2 4.08Å; W318-F324 AromaticContact CH2-CE2 3.72Å; W318-F324 HydrophobicContact CH2-CE2 3.72Å; W318-F324 HydrophobicContact CH2-CZ 4.09Å; W318-F324 AromaticContact CZ2-CE2 3.9Å; W318-F324 HydrophobicContact CZ2-CE2 3.9Å; W318-F324 AromaticContact CZ2-CZ 3.96Å; W318-F324 HydrophobicContact CZ2-CZ 3.96Å; W318-F324 AromaticContact CZ3-CE2 3.8Å; W318-F324 HydrophobicContact CZ3-CE2 3.8Å; W319-F324 HydrophobicContact CB-CD2 4.12Å; W319-F324 AromaticContact CD1-CD2 3.7Å; W319-F324 HydrophobicContact CG-CD2 4.27Å; W319-F324 PolarHBondContact O-N 3.47Å; Q322-F324 VanDerWaalsContact C-N 3.31Å; Q322-F324 HydrophobicContact CB-CD1 3.83Å; Q322-F324 HydrophobicContact CB-CD2 4.06Å; Q322-F324 HydrophobicContact CB-CE1 3.45Å; Q322-F324 VanDerWaalsContact CB-CE1 3.45Å; Q322-F324 HydrophobicContact CB-CE2 3.68Å; Q322-F324 HydrophobicContact CB-CG 4.11Å; Q322-F324 HydrophobicContact CB-CZ 3.36Å; Q322-F324 HydrophobicContact CG-CE1 4.18Å; Q322-F324 HydrophobicContact CG-CE2 3.96Å; Q322-F324 HydrophobicContact CG-CZ 3.64Å; Q322-F324 PolarHBondContact O-N 2.89Å; F324-F329 AromaticContact CD1-CD2 3.81Å; F324-F329 HydrophobicContact CD1-CD2 3.81Å; F324-F329 HydrophobicContact CD1-CE1 4.22Å; F324-F329 AromaticContact CD1-CE2 3.33Å; F324-F329 HydrophobicContact CD1-CE2 3.33Å; F324-F329 HydrophobicContact CD1-CG 4.44Å; F324-F329 AromaticContact CD1-CZ 3.55Å; F324-F329 HydrophobicContact CD1-CZ 3.55Å; F324-F329 HydrophobicContact CE1-CD2 4.4Å; F324-F329 AromaticContact CE1-CE2 3.5Å; F324-F329 HydrophobicContact CE1-CE2 3.5Å; F324-F329 VanDerWaalsContact CE1-CE2 3.5Å; F324-F329 AromaticContact CE1-CZ 3.6Å; F324-F329 HydrophobicContact CE1-CZ 3.6Å; F324-R375 WeakPolarHBondContact O-CD 3.41Å; F324-R375 PolarHBondContact O-NE 3.04Å; F324-P1094 HydrophobicContact CE1-CG 3.61Å; F324-P1094 HydrophobicContact CZ-CB 4.19Å; F324-P1094 HydrophobicContact CZ-CG 3.61Å; F324-V1098 HydrophobicContact CB-CG1 3.91Å; F324-V1098 HydrophobicContact CD1-CG1 4.08Å; F324-V1098 HydrophobicContact CD1-CG2 4.17Å; F324-V1098 HydrophobicContact CE1-CG2 4.34Å; F324-V1098 HydrophobicContact CG-CG1 4.14Å
325F97.8Very high95.3Very high5 Ų550 Ų502%0.02227%0.265CS..THydrogen-bonded Turntrans-86.7-14.2179.7-55.5-21.4000113.1Y316 W319 G323 R375 S443 L444Y316-F325 HydrophobicContact CE2-CE2 4.06Å; Y316-F325 HydrophobicContact CE2-CZ 4.33Å; Y316-F325 AromaticContact CZ-CE2 3.93Å; W319-F325 HydrophobicContact CB-CE1 3.78Å; W319-F325 HydrophobicContact CB-CE2 4.08Å; W319-F325 HydrophobicContact CB-CZ 3.42Å; W319-F325 VanDerWaalsContact CB-CZ 3.42Å; W319-F325 HydrophobicContact CD2-CZ 4.19Å; W319-F325 AromaticContact CE3-CZ 3.86Å; W319-F325 HydrophobicContact CE3-CZ 3.86Å; W319-F325 HydrophobicContact CG-CE1 4.31Å; W319-F325 HydrophobicContact CG-CZ 4.09Å; G323-F325 PolarHBondContact O-N 2.83Å; F325-R375 PolarHBondContact O-NH2 2.82Å; F325-S443 VanDerWaalsContact CE1-CB 3.46Å; F325-L444 WeakPolarHBondContact CD2-O 3.3Å
326K97Very high95.1Very high61 Ų6154.9 Ų54.927%0.26529%0.288SS..SBendtrans-82.1139-172.5-60-170.2179.7-174.30111.4G323 E328 F329 D447G323-K326 WeakPolarHBondContact O-CB 3.29Å; G323-K326 PolarHBondContact O-N 2.91Å; K326-E328 WeakPolarHBondContact CB-OE2 3.48Å; K326-E328 PolarHBondContact O-N 2.91Å; K326-F329 WeakPolarHBondContact O-CB 3.46Å; K326-F329 PolarHBondContact O-N 2.69Å; K326-F329 VanDerWaalsContact O-N 3.07Å; K326-D447 WeakPolarHBondContact CE-OD2 3.3Å; K326-D447 IonicContact NZ-OD1 3.9Å; K326-D447 PolarHBondContact NZ-OD1 2.86Å; K326-D447 IonicContact NZ-OD2 2.66Å; K326-D447 PolarHBondContact NZ-OD2 2.79Å
327P96.6Very high94.8Very high7 Ų759.6 Ų59.65%0.04532%0.32CS..THydrogen-bonded Turntrans-63.6-19.8175.426.1-34.1000113F329 R331 I334 T380 L382 F817P327-F329 VanDerWaalsContact C-N 3.27Å; P327-F329 PolarHBondContact O-N 3.47Å; P327-R331 WeakPolarHBondContact O-CD 3.4Å; P327-I334 HydrophobicContact CB-CG2 4.24Å; P327-I334 HydrophobicContact CG-CG2 4.33Å; P327-T380 HydrophobicContact CB-CG2 3.93Å; P327-L382 HydrophobicContact CB-CB 4.46Å; P327-L382 HydrophobicContact CG-CB 4.33Å; P327-L382 HydrophobicContact CG-CD1 4.28Å; P327-F817 HydrophobicContact CB-CE1 4.29Å; P327-F817 HydrophobicContact CB-CZ 3.74Å; P327-F817 HydrophobicContact CG-CE2 4.36Å; P327-F817 HydrophobicContact CG-CZ 3.77Å
328E95.2Very high94.7Very high65 Ų6558.5 Ų58.530%0.30431%0.311SS..THydrogen-bonded Turntrans-70.2-18.8174.6-65.273.4-165.100113.2K326 G330 R331 I334 R448K326-E328 WeakPolarHBondContact CB-OE2 3.48Å; K326-E328 PolarHBondContact O-N 2.91Å; E328-G330 PolarHBondContact O-N 3.21Å; E328-R331 PolarHBondContact O-N 2.87Å; E328-I334 HydrophobicContact CG-CG2 3.85Å; E328-R448 IonicContact OE1-CZ 2.68Å; E328-R448 IonicContact OE1-NH1 2.73Å; E328-R448 PolarHBondContact OE1-NH1 3.48Å; E328-R448 IonicContact OE1-NH2 2.71Å; E328-R448 PolarHBondContact OE1-NH2 3.35Å; E328-R448 IonicContact OE2-NH1 3.42Å; E328-R448 PolarHBondContact OE2-NH1 2.82Å
329F94Very high94.5Very high82 Ų8264.2 Ų64.236%0.3635%0.35SS..THydrogen-bonded Turntrans-59.9125.5-172.7-175.3-94.2000112F324 K326 P327 R331 V1098F324-F329 AromaticContact CD1-CD2 3.81Å; F324-F329 HydrophobicContact CD1-CD2 3.81Å; F324-F329 HydrophobicContact CD1-CE1 4.22Å; F324-F329 AromaticContact CD1-CE2 3.33Å; F324-F329 HydrophobicContact CD1-CE2 3.33Å; F324-F329 HydrophobicContact CD1-CG 4.44Å; F324-F329 AromaticContact CD1-CZ 3.55Å; F324-F329 HydrophobicContact CD1-CZ 3.55Å; F324-F329 HydrophobicContact CE1-CD2 4.4Å; F324-F329 AromaticContact CE1-CE2 3.5Å; F324-F329 HydrophobicContact CE1-CE2 3.5Å; F324-F329 VanDerWaalsContact CE1-CE2 3.5Å; F324-F329 AromaticContact CE1-CZ 3.6Å; F324-F329 HydrophobicContact CE1-CZ 3.6Å; K326-F329 WeakPolarHBondContact O-CB 3.46Å; K326-F329 PolarHBondContact O-N 2.69Å; K326-F329 VanDerWaalsContact O-N 3.07Å; P327-F329 VanDerWaalsContact C-N 3.27Å; P327-F329 PolarHBondContact O-N 3.47Å; F329-R331 PolarHBondContact O-N 3.43Å; F329-V1098 HydrophobicContact CD1-CB 4.29Å; F329-V1098 HydrophobicContact CD1-CG1 3.79Å; F329-V1098 HydrophobicContact CE1-CB 3.8Å; F329-V1098 HydrophobicContact CE1-CG1 3.71Å; F329-V1098 HydrophobicContact CE1-CG2 3.89Å; F329-V1098 HydrophobicContact CZ-CG1 4.43Å; F329-V1098 HydrophobicContact CZ-CG2 4.19Å
330G89.1Confident94.3Very high80 Ų8072.6 Ų72.683%0.82538%0.382SS*.THydrogen-bonded Turntrans71.411.5-178.600000114.5E328E328-G330 PolarHBondContact O-N 3.21Å
331R90.9Very high94.3Very high59 Ų5970.9 Ų70.922%0.22338%0.381CS..  trans-120.7154.2-179.7-54.2-175.573.183.10.7111.6P327 E328 F329 S333 E336 N338 T380P327-R331 WeakPolarHBondContact O-CD 3.4Å; E328-R331 PolarHBondContact O-N 2.87Å; F329-R331 PolarHBondContact O-N 3.43Å; R331-S333 PolarHBondContact NE-O 2.89Å; R331-E336 PolarHBondContact NH2-O 3.24Å; R331-N338 VanDerWaalsContact NH1-CG 3.32Å; R331-N338 PolarHBondContact NH1-ND2 3.3Å; R331-T380 PolarHBondContact NH1-OG1 3.19Å
332K89.3Confident94.3Very high202 Ų20268.2 Ų68.288%0.87837%0.372SS*.SBendtrans-80.4-36.6170.1-68.1179.9-179.8175.60112
333S92.3Very high94.3Very high45 Ų4564.3 Ų64.332%0.31535%0.354SS..  trans-153.1146.4178.5178.40000110.6R331 S335 E336R331-S333 PolarHBondContact NE-O 2.89Å; S333-S335 PolarHBondContact O-N 3.35Å; S333-S335 PolarHBondContact OG-N 2.95Å; S333-E336 PolarHBondContact O-N 3.12Å
334I93.6Very high94.3Very high9 Ų964 Ų645%0.04635%0.349CS..THydrogen-bonded Turntrans-71.1-20.9171.957.7170.2000112.5P327 E328 E336 Q812 D813 F817P327-I334 HydrophobicContact CB-CG2 4.24Å; P327-I334 HydrophobicContact CG-CG2 4.33Å; E328-I334 HydrophobicContact CG-CG2 3.85Å; I334-E336 VanDerWaalsContact C-N 3.33Å; I334-Q812 HydrophobicContact CD1-CG 4Å; I334-Q812 HydrophobicContact CG1-CG 4.17Å; I334-D813 VanDerWaalsContact CD1-OD1 3.3Å; I334-D813 WeakPolarHBondContact CD1-OD1 3.15Å; I334-F817 HydrophobicContact CB-CZ 4.48Å; I334-F817 HydrophobicContact CD1-CE2 3.93Å
335S92.3Very high94.3Very high65 Ų6563.9 Ų63.946%0.45535%0.349SS..THydrogen-bonded Turntrans-81.5-12.3177-60.80000113.6S333 Q812S333-S335 PolarHBondContact O-N 3.35Å; S333-S335 PolarHBondContact OG-N 2.95Å; S335-Q812 WeakPolarHBondContact OG-CG 3.28Å; S335-Q812 PolarHBondContact OG-NE2 2.88Å
336E92.7Very high94.3Very high102 Ų10263.9 Ų63.948%0.47735%0.349SS..SBendtrans-68.4129.3174.8-174.8177.4-176.800109.5R331 S333 I334 N338R331-E336 PolarHBondContact NH2-O 3.24Å; S333-E336 PolarHBondContact O-N 3.12Å; I334-E336 VanDerWaalsContact C-N 3.33Å; E336-N338 PolarHBondContact O-N 3.35Å
337P91.1Very high94.2Very high117 Ų11761.2 Ų61.276%0.7634%0.338SS*.PPolyproline II helixtrans-56130.7177-25.934.5000111.8
338N94.8Very high94.1Very high29 Ų2961.9 Ų61.916%0.15534%0.342CS..PPolyproline II helixtrans-100.5118.5170.8-169-12.3000109.6R331 E336 R340 G341 G378 T380R331-N338 VanDerWaalsContact NH1-CG 3.32Å; R331-N338 PolarHBondContact NH1-ND2 3.3Å; E336-N338 PolarHBondContact O-N 3.35Å; N338-R340 PolarHBondContact O-N 2.95Å; N338-R340 VanDerWaalsContact O-N 3.17Å; N338-R340 WeakPolarHBondContact OD1-CB 3.31Å; N338-R340 PolarHBondContact OD1-N 2.83Å; N338-G341 PolarHBondContact O-N 3.44Å; N338-G378 PolarHBondContact ND2-O 3.31Å; N338-T380 WeakPolarHBondContact CB-OG1 3.3Å; N338-T380 PolarHBondContact ND2-N 2.76Å; N338-T380 VanDerWaalsContact ND2-N 3.19Å; N338-T380 PolarHBondContact ND2-OG1 2.99Å; N338-T380 VanDerWaalsContact ND2-OG1 3.14Å
339P94.2Very high94Very high132 Ų13259.3 Ų59.386%0.85733%0.331SS*.THydrogen-bonded Turntrans-63.2-20.3175.826.8-35.3000113.1G341P339-G341 VanDerWaalsContact C-N 3.33Å
340R94.7Very high93.9Very high175 Ų17555.8 Ų55.866%0.6632%0.317SS*.THydrogen-bonded Turntrans-77.6-17.7173.3-62-64.5-171.8169.23.6113.1N338 G378 E379N338-R340 PolarHBondContact O-N 2.95Å; N338-R340 VanDerWaalsContact O-N 3.17Å; N338-R340 WeakPolarHBondContact OD1-CB 3.31Å; N338-R340 PolarHBondContact OD1-N 2.83Å; R340-G378 WeakPolarHBondContact CB-O 3.13Å; R340-E379 HydrophobicContact CB-CG 4.27Å; R340-E379 WeakPolarHBondContact O-CG 3.27Å
341G95.5Very high94Very high27 Ų2755.1 Ų55.128%0.27829%0.294SS..  trans100.9-174.5-179.300000114.4N338 P339 T380N338-G341 PolarHBondContact O-N 3.44Å; P339-G341 VanDerWaalsContact C-N 3.33Å; G341-T380 PolarHBondContact O-N 2.91Å
342I97.1Very high93.8Very high71 Ų7152.3 Ų52.336%0.36428%0.284SS..EExtended strand (participates in β ladder)trans-124.5132.4179.8-63168.6000107.4T380 V816 F817 S821I342-T380 CarbonylContact C-O 3.58Å; I342-T380 WeakPolarHBondContact CA-O 3.48Å; I342-V816 HydrophobicContact CD1-CG1 4.04Å; I342-F817 HydrophobicContact CG2-CD1 3.94Å; I342-F817 HydrophobicContact CG2-CE1 4.14Å; I342-S821 PolarHBondContact O-OG 3.19Å
343F98.1Very high93.3Very high5 Ų543.9 Ų43.92%0.02225%0.249CC..EExtended strand (participates in β ladder)trans-114.7117.1167.8179.7-97.3000109.1M345 L370 H374 T380 T381 L382 S821 L822F343-M345 HydrophobicContact CE1-CB 4.09Å; F343-M345 HydrophobicContact CE1-CE 4.18Å; F343-M345 HydrophobicContact CZ-CB 4.22Å; F343-M345 HydrophobicContact CZ-CE 4.2Å; F343-L370 HydrophobicContact CZ-CB 4.36Å; F343-H374 HydrophobicContact CB-CB 3.78Å; F343-H374 HydrophobicContact CD1-CB 4.04Å; F343-H374 HydrophobicContact CD2-CB 4.29Å; F343-H374 AromaticContact CD2-CD2 3.34Å; F343-H374 WeakPolarHBondContact CD2-CD2 3.19Å; F343-H374 AromaticContact CD2-CE1 3.58Å; F343-H374 AromaticContact CD2-CG 3.54Å; F343-H374 AromaticContact CD2-ND1 3.67Å; F343-H374 AromaticContact CD2-NE2 3.4Å; F343-H374 WeakPolarHBondContact CD2-NE2 3.46Å; F343-H374 AromaticContact CE2-CD2 3.41Å; F343-H374 VanDerWaalsContact CE2-CD2 3.41Å; F343-H374 WeakPolarHBondContact CE2-CD2 3.46Å; F343-H374 AromaticContact CE2-NE2 3.42Å; F343-H374 WeakPolarHBondContact CE2-NE2 3.47Å; F343-H374 HydrophobicContact CG-CB 3.77Å; F343-H374 AromaticContact CG-CD2 3.71Å; F343-H374 AromaticContact CG-CG 3.54Å; F343-H374 AromaticContact CG-ND1 3.92Å; F343-H374 AromaticContact CZ-CD2 3.83Å; F343-T380 PolarHBondContact N-O 3.05Å; F343-T381 HydrophobicContact CB-CG2 4.42Å; F343-T381 HydrophobicContact CD1-CG2 3.81Å; F343-T381 CarbonylContact O-C 3.58Å; F343-T381 WeakPolarHBondContact O-CA 3.41Å; F343-L382 PolarHBondContact O-N 3.34Å; F343-S821 WeakPolarHBondContact CA-OG 3.21Å; F343-L822 HydrophobicContact CE2-CB 4.03Å; F343-L822 HydrophobicContact CE2-CD2 4.28Å; F343-L822 HydrophobicContact CZ-CB 4.36Å; F343-L822 HydrophobicContact CZ-CD2 4.25Å
344M97.4Very high92.5Very high4 Ų442.2 Ų42.22%0.0224%0.239CC..EExtended strand (participates in β ladder)trans-122.5130.7175.3-178.6-70-149.100109.9L382 I804 F805 F817 S821 L822M344-L382 WeakPolarHBondContact CA-O 3.41Å; M344-I804 HydrophobicContact CE-CD1 4.36Å; M344-F805 HydrophobicContact CE-CE2 3.4Å; M344-F805 VanDerWaalsContact CE-CE2 3.4Å; M344-F805 HydrophobicContact CE-CZ 3.5Å; M344-F805 VanDerWaalsContact CE-CZ 3.5Å; M344-F805 HydrophobicContact CG-CZ 4.49Å; M344-F817 HydrophobicContact CB-CB 4.44Å; M344-F817 HydrophobicContact CB-CD1 4.27Å; M344-F817 HydrophobicContact CG-CB 3.88Å; M344-F817 HydrophobicContact CG-CD1 4.37Å; M344-F817 HydrophobicContact CG-CG 4.48Å; M344-F817 WeakPolarHBondContact CG-O 3.49Å; M344-S821 PolarHBondContact N-OG 2.93Å; M344-S821 WeakPolarHBondContact O-CB 3.29Å; M344-S821 PolarHBondContact O-N 3.34Å; M344-L822 PolarHBondContact O-N 3.05Å
345M97.8Very high92.1Very high0 Ų043.1 Ų43.10%025%0.246CC..EExtended strand (participates in β ladder)trans-139.2143.2167.8-178.2168.555.700109.9F343 Q367 L382 W383 N384 L822 E824F343-M345 HydrophobicContact CE1-CB 4.09Å; F343-M345 HydrophobicContact CE1-CE 4.18Å; F343-M345 HydrophobicContact CZ-CB 4.22Å; F343-M345 HydrophobicContact CZ-CE 4.2Å; M345-Q367 HydrophobicContact CE-CB 3.47Å; M345-Q367 VanDerWaalsContact CE-CB 3.47Å; M345-Q367 HydrophobicContact CE-CG 3.66Å; M345-Q367 WeakPolarHBondContact CE-O 3.49Å; M345-Q367 HydrophobicContact SD-CB 4.28Å; M345-Q367 HydrophobicContact SD-CG 3.77Å; M345-L382 PolarHBondContact N-O 3.3Å; M345-W383 HydrophobicContact CE-CG 4.27Å; M345-W383 VanDerWaalsContact O-CA 3.31Å; M345-W383 WeakPolarHBondContact O-CA 3.33Å; M345-N384 PolarHBondContact O-N 3.38Å; M345-L822 WeakPolarHBondContact CG-O 3.17Å; M345-L822 HydrophobicContact SD-CD2 4.29Å; M345-L822 HydrophobicContact SD-CG 4.46Å; M345-E824 HydrophobicContact SD-CB 3.81Å
346C96.1Very high92.1Very high4 Ų440.2 Ų40.23%0.02723%0.225CC..EExtended strand (participates in β ladder)trans-103.4141.9167.3620000109.8F800 I804C346-F800 HydrophobicContact CB-CD1 4.17Å; C346-F800 HydrophobicContact CB-CE1 3.99Å; C346-I804 HydrophobicContact CB-CD1 4.02Å
347I95.1Very high92.1Very high6 Ų637.2 Ų37.23%0.03121%0.211CC..  trans-65.1141.3172.6-163171.8000109.9P349 W383 N384 G386 L437 L444I347-P349 WeakPolarHBondContact O-CD 3.49Å; I347-W383 HydrophobicContact CD1-CZ2 4.47Å; I347-N384 WeakPolarHBondContact CG2-O 3.5Å; I347-N384 PolarHBondContact N-O 3.2Å; I347-G386 VanDerWaalsContact CG2-N 3.33Å; I347-L437 HydrophobicContact CD1-CD1 4.05Å; I347-L437 HydrophobicContact CD1-CD2 4.3Å; I347-L444 HydrophobicContact CD1-CD1 4.36Å
348P94.6Very high92.1Very high20 Ų2031.7 Ų31.713%0.1318%0.175CC..  trans-55.7105.4157.6-18.625.9000108.3P350 T363 E824 W833P348-P350 WeakPolarHBondContact O-CD 3.2Å; P348-P350 VanDerWaalsContact O-N 3.09Å; P348-T363 HydrophobicContact CG-CG2 4.04Å; P348-E824 WeakPolarHBondContact CG-O 3.43Å; P348-W833 HydrophobicContact CB-CE3 4.29Å; P348-W833 HydrophobicContact CB-CH2 3.95Å; P348-W833 HydrophobicContact CB-CZ3 3.53Å; P348-W833 HydrophobicContact CG-CH2 4.24Å; P348-W833 HydrophobicContact CG-CZ3 3.73Å
349P92.6Very high92Very high11 Ų1130.9 Ų30.97%0.07117%0.174CC..PPolyproline II helixtrans-64.7116.6-167.225.5-32.9000109.1I347 G386 D388 F800 W833I347-P349 WeakPolarHBondContact O-CD 3.49Å; P349-G386 WeakPolarHBondContact CA-O 3.47Å; P349-D388 HydrophobicContact CB-CB 4.1Å; P349-D388 HydrophobicContact CG-CB 4.11Å; P349-F800 HydrophobicContact CB-CE1 4.39Å; P349-F800 HydrophobicContact CB-CE2 4.15Å; P349-F800 HydrophobicContact CB-CZ 3.93Å; P349-F800 HydrophobicContact CG-CD1 4.41Å; P349-F800 HydrophobicContact CG-CD2 4.32Å; P349-F800 HydrophobicContact CG-CE1 4.23Å; P349-F800 HydrophobicContact CG-CE2 4.15Å; P349-F800 HydrophobicContact CG-CG 4.45Å; P349-F800 HydrophobicContact CG-CZ 4.1Å; P349-W833 HydrophobicContact CG-CZ2 4.45Å
350P92.6Very high91.9Very high9 Ų927.1 Ų27.16%0.05815%0.145CC..PPolyproline II helixtrans-64.9141.4-177.4-22.234.6000111.2P348 L356 G386 D388 I433P348-P350 WeakPolarHBondContact O-CD 3.2Å; P348-P350 VanDerWaalsContact O-N 3.09Å; P350-L356 HydrophobicContact CB-CD2 3.77Å; P350-L356 HydrophobicContact CG-CD2 4.12Å; P350-G386 WeakPolarHBondContact CD-O 3.33Å; P350-D388 PolarHBondContact O-N 3.41Å; P350-I433 HydrophobicContact CB-CD1 4.49Å; P350-I433 HydrophobicContact CB-CG2 4.07Å; P350-I433 HydrophobicContact CG-CG2 4.12Å
351N91.1Very high92Very high66 Ų6618.9 Ų18.935%0.35311%0.114SC..BIsolated β-bridgetrans-68.5133.1178.7-66.8-4.1000110.9T353 A390N351-T353 HydrophobicContact CB-CG2 3.96Å; N351-T353 PolarHBondContact O-N 2.99Å; N351-T353 PolarHBondContact O-OG1 3.47Å; N351-A390 HydrophobicContact CB-CB 3.57Å; N351-A390 VanDerWaalsContact CG-CB 3.48Å
352V87.8Confident92Very high0 Ų017.6 Ų17.60%010%0.101CC..SBendtrans-72.749.1176.2-64.50000113.8C387 D388 T394 W425 K426 I433 F451V352-C387 HydrophobicContact CG1-CB 3.9Å; V352-D388 WeakPolarHBondContact CG2-O 3.46Å; V352-D388 PolarHBondContact N-O 2.93Å; V352-T394 HydrophobicContact CG2-CG2 4.18Å; V352-W425 PolarHBondContact O-NE1 2.92Å; V352-K426 HydrophobicContact CG1-CG 4.34Å; V352-K426 HydrophobicContact CG2-CG 4.33Å; V352-I433 HydrophobicContact CG1-CD1 4.45Å; V352-F451 HydrophobicContact CG1-CE2 4.1Å; V352-F451 HydrophobicContact CG2-CE2 4.17Å
353T78.1Confident91.9Very high25 Ų2515.2 Ų15.215%0.1539%0.09CC..SBendtrans-108.69.5-174.158.30000113.2N351 A390 A393 K869N351-T353 HydrophobicContact CB-CG2 3.96Å; N351-T353 PolarHBondContact O-N 2.99Å; N351-T353 PolarHBondContact O-OG1 3.47Å; T353-A390 HydrophobicContact CG2-CB 4.23Å; T353-A393 HydrophobicContact CG2-CB 3.72Å; T353-K869 PolarHBondContact O-NZ 3.44Å; T353-K869 PolarHBondContact OG1-NZ 2.98Å
354G76.3Confident91.9Very high9 Ų915.1 Ų15.19%0.0939%0.089CC..SBendtrans141-139.8-178.800000111.9
355S85.2Confident91.9Very high29 Ų2915 Ų1520%0.2039%0.089CC..  trans-90.5161.3179.5-40.60000112.7R432 K869 D876S355-R432 PolarHBondContact OG-NE 3.1Å; S355-R432 PolarHBondContact OG-NH2 2.69Å; S355-K869 VanDerWaalsContact O-CE 3.32Å; S355-K869 WeakPolarHBondContact O-CE 3.33Å; S355-K869 PolarHBondContact O-NZ 2.69Å; S355-D876 WeakPolarHBondContact CB-OD2 3.15Å
356L91.9Very high91.9Very high3 Ų315 Ų152%0.0169%0.089CC..  trans-68.6166.2165-60-173.6000111.6P350 H360 I433 Q436 L437 P877P350-L356 HydrophobicContact CB-CD2 3.77Å; P350-L356 HydrophobicContact CG-CD2 4.12Å; L356-H360 HydrophobicContact CB-CB 4.08Å; L356-H360 HydrophobicContact CD1-CB 4.37Å; L356-H360 HydrophobicContact CD2-CB 3.98Å; L356-H360 HydrophobicContact CG-CB 4.38Å; L356-I433 HydrophobicContact CD1-CG2 4.37Å; L356-I433 HydrophobicContact CD2-CG1 4.26Å; L356-I433 HydrophobicContact CD2-CG2 4.04Å; L356-I433 HydrophobicContact CG-CG1 4.44Å; L356-I433 HydrophobicContact CG-CG2 4.3Å; L356-Q436 HydrophobicContact CB-CB 4.49Å; L356-Q436 HydrophobicContact CD1-CB 3.86Å; L356-Q436 HydrophobicContact CG-CB 4.26Å; L356-L437 HydrophobicContact CD1-CD2 3.66Å; L356-L437 HydrophobicContact CD1-CG 3.82Å; L356-P877 HydrophobicContact CB-CG 4.27Å; L356-P877 WeakPolarHBondContact O-CD 3.37Å
357H91.4Very high92Very high40 Ų4014.8 Ų14.819%0.1859%0.087CC..  trans-139.1173.2177.959.958.4000110.9G359 H360 A361 V874 I875H357-G359 WeakPolarHBondContact ND1-CA 3.49Å; H357-G359 PolarHBondContact ND1-N 3.14Å; H357-G359 PolarHBondContact O-N 3.48Å; H357-G359 VanDerWaalsContact O-N 3.11Å; H357-H360 AromaticContact CD2-CE1 3.46Å; H357-H360 PolarHBondContact CD2-CE1 2.86Å; H357-H360 VanDerWaalsContact CD2-CE1 3.46Å; H357-H360 AromaticContact CD2-ND1 3.41Å; H357-H360 PolarHBondContact CD2-ND1 3.29Å; H357-H360 AromaticContact CE1-CE1 3.5Å; H357-H360 PolarHBondContact CE1-CE1 3.22Å; H357-H360 VanDerWaalsContact CE1-CE1 3.5Å; H357-H360 AromaticContact CE1-ND1 3.25Å; H357-H360 PolarHBondContact CE1-ND1 3.44Å; H357-H360 VanDerWaalsContact CE1-ND1 3.25Å; H357-H360 AromaticContact CG-CE1 3.9Å; H357-H360 AromaticContact CG-ND1 3.35Å; H357-H360 PolarHBondContact N-ND1 3.01Å; H357-H360 AromaticContact ND1-CE1 3.91Å; H357-H360 PolarHBondContact ND1-N 3.32Å; H357-H360 AromaticContact ND1-ND1 3.25Å; H357-H360 PolarHBondContact ND1-ND1 2.83Å; H357-H360 AromaticContact NE2-CE1 3.18Å; H357-H360 PolarHBondContact NE2-CE1 2.93Å; H357-H360 AromaticContact NE2-ND1 3.35Å; H357-H360 PolarHBondContact NE2-ND1 3.48Å; H357-H360 WeakPolarHBondContact O-CA 3.29Å; H357-H360 WeakPolarHBondContact O-CB 3.4Å; H357-H360 PolarHBondContact O-N 3.31Å; H357-A361 PolarHBondContact O-N 3Å; H357-A361 VanDerWaalsContact O-N 3.11Å; H357-V874 HydrophobicContact CB-CB 4.47Å; H357-V874 HydrophobicContact CB-CG1 3.38Å; H357-V874 HydrophobicContact CB-CG2 4.47Å; H357-I875 VanDerWaalsContact CA-O 3.29Å; H357-I875 WeakPolarHBondContact CA-O 3.42Å
358L92.4Very high92.1Very high0 Ų014.5 Ų14.50%09%0.086CC..Hα-helixtrans-57.6-29.5-176.6-61.4-179.2000114.8H360 A361 L362 V859 M867 I875 P877 V880 L926 L942L358-H360 PolarHBondContact O-N 3Å; L358-A361 WeakPolarHBondContact O-CB 3.45Å; L358-A361 PolarHBondContact O-N 3.48Å; L358-L362 PolarHBondContact O-N 3.48Å; L358-V859 HydrophobicContact CB-CG1 4.38Å; L358-M867 HydrophobicContact CB-CE 4.41Å; L358-M867 HydrophobicContact CB-SD 4.27Å; L358-M867 HydrophobicContact CD1-CE 4.38Å; L358-I875 HydrophobicContact CD1-CB 3.74Å; L358-I875 HydrophobicContact CD1-CD1 4.05Å; L358-I875 HydrophobicContact CD1-CG1 4.47Å; L358-I875 HydrophobicContact CD1-CG2 3.84Å; L358-I875 HydrophobicContact CG-CB 4.05Å; L358-I875 HydrophobicContact CG-CG2 4.22Å; L358-I875 PolarHBondContact N-O 2.81Å; L358-P877 HydrophobicContact CD2-CB 4.18Å; L358-V880 HydrophobicContact CD1-CG2 4.29Å; L358-V880 HydrophobicContact CD2-CG2 4.09Å; L358-L926 HydrophobicContact CD2-CD1 4.02Å; L358-L926 HydrophobicContact CD2-CD2 4.45Å; L358-L942 HydrophobicContact CB-CD2 4.04Å; L358-L942 HydrophobicContact CD1-CD2 3.33Å; L358-L942 HydrophobicContact CG-CD2 4.21Å
359G91Very high92.3Very high13 Ų1313.5 Ų13.513%0.1348%0.08CC..Hα-helixtrans-57.1-43.6166.700000114.5H357 A361 L362 T363H357-G359 WeakPolarHBondContact ND1-CA 3.49Å; H357-G359 PolarHBondContact ND1-N 3.14Å; H357-G359 PolarHBondContact O-N 3.48Å; H357-G359 VanDerWaalsContact O-N 3.11Å; G359-A361 VanDerWaalsContact C-N 3.33Å; G359-L362 WeakPolarHBondContact O-CB 3.35Å; G359-L362 PolarHBondContact O-N 2.84Å; G359-T363 PolarHBondContact O-N 2.83Å; G359-T363 PolarHBondContact O-OG1 3.28Å
360H93.8Very high92.6Very high53 Ų5313 Ų1325%0.2458%0.077CC..Hα-helixtrans-69.1-33.8174.1-60.396.3000111.7L356 H357 L358 L362 T363 N364L356-H360 HydrophobicContact CB-CB 4.08Å; L356-H360 HydrophobicContact CD1-CB 4.37Å; L356-H360 HydrophobicContact CD2-CB 3.98Å; L356-H360 HydrophobicContact CG-CB 4.38Å; H357-H360 AromaticContact CD2-CE1 3.46Å; H357-H360 PolarHBondContact CD2-CE1 2.86Å; H357-H360 VanDerWaalsContact CD2-CE1 3.46Å; H357-H360 AromaticContact CD2-ND1 3.41Å; H357-H360 PolarHBondContact CD2-ND1 3.29Å; H357-H360 AromaticContact CE1-CE1 3.5Å; H357-H360 PolarHBondContact CE1-CE1 3.22Å; H357-H360 VanDerWaalsContact CE1-CE1 3.5Å; H357-H360 AromaticContact CE1-ND1 3.25Å; H357-H360 PolarHBondContact CE1-ND1 3.44Å; H357-H360 VanDerWaalsContact CE1-ND1 3.25Å; H357-H360 AromaticContact CG-CE1 3.9Å; H357-H360 AromaticContact CG-ND1 3.35Å; H357-H360 PolarHBondContact N-ND1 3.01Å; H357-H360 AromaticContact ND1-CE1 3.91Å; H357-H360 PolarHBondContact ND1-N 3.32Å; H357-H360 AromaticContact ND1-ND1 3.25Å; H357-H360 PolarHBondContact ND1-ND1 2.83Å; H357-H360 AromaticContact NE2-CE1 3.18Å; H357-H360 PolarHBondContact NE2-CE1 2.93Å; H357-H360 AromaticContact NE2-ND1 3.35Å; H357-H360 PolarHBondContact NE2-ND1 3.48Å; H357-H360 WeakPolarHBondContact O-CA 3.29Å; H357-H360 WeakPolarHBondContact O-CB 3.4Å; H357-H360 PolarHBondContact O-N 3.31Å; L358-H360 PolarHBondContact O-N 3Å; H360-L362 VanDerWaalsContact C-N 3.29Å; H360-L362 PolarHBondContact O-N 3.34Å; H360-T363 PolarHBondContact O-N 3.44Å; H360-N364 VanDerWaalsContact O-CB 3.24Å; H360-N364 WeakPolarHBondContact O-CB 3.37Å; H360-N364 PolarHBondContact O-N 2.92Å
361A95.6Very high92.9Very high1 Ų112.6 Ų12.61%0.0087%0.074CC..Hα-helixtrans-64.8-34.817500000111.8H357 L358 G359 N364 A365 L440 P877 L926 L930H357-A361 PolarHBondContact O-N 3Å; H357-A361 VanDerWaalsContact O-N 3.11Å; L358-A361 WeakPolarHBondContact O-CB 3.45Å; L358-A361 PolarHBondContact O-N 3.48Å; G359-A361 VanDerWaalsContact C-N 3.33Å; A361-N364 PolarHBondContact O-N 3.29Å; A361-A365 VanDerWaalsContact O-CB 3.29Å; A361-A365 WeakPolarHBondContact O-CB 3.42Å; A361-A365 PolarHBondContact O-N 2.85Å; A361-L440 HydrophobicContact CB-CD1 4.16Å; A361-L440 HydrophobicContact CB-CD2 3.92Å; A361-P877 HydrophobicContact CB-CB 4.07Å; A361-L926 HydrophobicContact CB-CD2 4.48Å; A361-L930 HydrophobicContact CB-CD1 3.72Å
362L95.4Very high93.2Very high0 Ų09.5 Ų9.50%06%0.057CC..Hα-helixtrans-63.5-54.7173.4175.664.2000111.2L358 G359 H360 N364 A365 I366 A857 V859 L930 T934 I940L358-L362 PolarHBondContact O-N 3.48Å; G359-L362 WeakPolarHBondContact O-CB 3.35Å; G359-L362 PolarHBondContact O-N 2.84Å; H360-L362 VanDerWaalsContact C-N 3.29Å; H360-L362 PolarHBondContact O-N 3.34Å; L362-N364 PolarHBondContact O-N 3.4Å; L362-A365 PolarHBondContact O-N 2.98Å; L362-A365 VanDerWaalsContact O-N 3.13Å; L362-I366 HydrophobicContact CD1-CD1 3.8Å; L362-I366 HydrophobicContact CD1-CG1 4.21Å; L362-I366 HydrophobicContact CG-CD1 3.95Å; L362-I366 WeakPolarHBondContact O-CG1 3.37Å; L362-I366 PolarHBondContact O-N 2.91Å; L362-A857 WeakPolarHBondContact CD2-O 3.42Å; L362-V859 HydrophobicContact CB-CG2 3.9Å; L362-V859 HydrophobicContact CD2-CG2 3.53Å; L362-V859 HydrophobicContact CG-CG2 4.35Å; L362-L930 HydrophobicContact CB-CD2 4.25Å; L362-L930 HydrophobicContact CD1-CB 3.88Å; L362-L930 WeakPolarHBondContact CD1-O 3.19Å; L362-T934 HydrophobicContact CD1-CG2 3.94Å; L362-I940 HydrophobicContact CD1-CD1 4.46Å; L362-I940 HydrophobicContact CD2-CD1 3.6Å
363T95.6Very high93.7Very high22 Ų229.9 Ų9.914%0.1356%0.058CC..Hα-helixtrans-50.3-48.4175.1-52.40000110.1P348 G359 H360 I366 Q367 E824 H856P348-T363 HydrophobicContact CG-CG2 4.04Å; G359-T363 PolarHBondContact O-N 2.83Å; G359-T363 PolarHBondContact O-OG1 3.28Å; H360-T363 PolarHBondContact O-N 3.44Å; T363-I366 PolarHBondContact O-N 3.44Å; T363-Q367 HydrophobicContact CG2-CG 4.46Å; T363-Q367 WeakPolarHBondContact O-CB 3.49Å; T363-Q367 VanDerWaalsContact O-CG 3.22Å; T363-Q367 WeakPolarHBondContact O-CG 3.37Å; T363-Q367 PolarHBondContact O-N 2.99Å; T363-E824 WeakPolarHBondContact CG2-OE2 3.38Å; T363-H856 PolarHBondContact OG1-CE1 3.47Å; T363-H856 PolarHBondContact OG1-NE2 2.88Å; T363-H856 VanDerWaalsContact OG1-NE2 3.15Å
364N97.4Very high94.7Very high2 Ų29.7 Ų9.71%0.0116%0.056CC..Hα-helixtrans-63.1-45.1179.5-171-98.3000113.4H360 A361 L362 I366 Q367 D368 W383 L437 L440 S442H360-N364 VanDerWaalsContact O-CB 3.24Å; H360-N364 WeakPolarHBondContact O-CB 3.37Å; H360-N364 PolarHBondContact O-N 2.92Å; A361-N364 PolarHBondContact O-N 3.29Å; L362-N364 PolarHBondContact O-N 3.4Å; N364-I366 VanDerWaalsContact C-N 3.35Å; N364-I366 PolarHBondContact O-N 2.82Å; N364-Q367 PolarHBondContact O-N 3.38Å; N364-D368 WeakPolarHBondContact O-CB 3.47Å; N364-D368 PolarHBondContact O-N 3.38Å; N364-W383 VanDerWaalsContact ND2-CH2 3.29Å; N364-W383 WeakPolarHBondContact ND2-CH2 3.38Å; N364-L437 HydrophobicContact CB-CD2 4.49Å; N364-L437 WeakPolarHBondContact ND2-CD2 3.46Å; N364-L440 HydrophobicContact CB-CD1 4.33Å; N364-S442 VanDerWaalsContact CG-OG 3.26Å; N364-S442 PolarHBondContact ND2-OG 2.77Å; N364-S442 PolarHBondContact OD1-OG 3.47Å
365A97.6Very high95.7Very high1 Ų110.5 Ų10.51%0.0086%0.056CC..Hα-helixtrans-61.6-43.618000000111.4A361 L362 C369 R927 L930A361-A365 VanDerWaalsContact O-CB 3.29Å; A361-A365 WeakPolarHBondContact O-CB 3.42Å; A361-A365 PolarHBondContact O-N 2.85Å; L362-A365 PolarHBondContact O-N 2.98Å; L362-A365 VanDerWaalsContact O-N 3.13Å; A365-C369 WeakPolarHBondContact O-CB 3.11Å; A365-C369 PolarHBondContact O-N 3Å; A365-R927 HydrophobicContact CB-CB 4.26Å; A365-R927 HydrophobicContact CB-CG 4.25Å; A365-L930 HydrophobicContact CB-CB 4.37Å; A365-L930 HydrophobicContact CB-CD1 4.48Å
366I97.7Very high96.3Very high0 Ų09.2 Ų9.20%05%0.047CC..Hα-helixtrans-63.4-53.5176.5-69.3170000110.5L362 T363 N364 D368 C369 L370 E824 Y854 H856 T934 F1011L362-I366 HydrophobicContact CD1-CD1 3.8Å; L362-I366 HydrophobicContact CD1-CG1 4.21Å; L362-I366 HydrophobicContact CG-CD1 3.95Å; L362-I366 WeakPolarHBondContact O-CG1 3.37Å; L362-I366 PolarHBondContact O-N 2.91Å; T363-I366 PolarHBondContact O-N 3.44Å; N364-I366 VanDerWaalsContact C-N 3.35Å; N364-I366 PolarHBondContact O-N 2.82Å; I366-D368 PolarHBondContact O-N 3.03Å; I366-C369 WeakPolarHBondContact O-CB 3.02Å; I366-C369 PolarHBondContact O-N 2.73Å; I366-L370 HydrophobicContact CG2-CD1 4.15Å; I366-L370 PolarHBondContact O-N 2.9Å; I366-E824 WeakPolarHBondContact CB-OE1 3.48Å; I366-E824 HydrophobicContact CG2-CG 3.76Å; I366-E824 WeakPolarHBondContact CG2-OE1 3.11Å; I366-Y854 HydrophobicContact CG2-CD1 4.34Å; I366-Y854 HydrophobicContact CG2-CE1 4.07Å; I366-H856 HydrophobicContact CD1-CB 3.79Å; I366-T934 HydrophobicContact CD1-CG2 4.04Å; I366-F1011 HydrophobicContact CB-CZ 4.42Å; I366-F1011 HydrophobicContact CG1-CD2 4.5Å; I366-F1011 HydrophobicContact CG1-CE2 4.37Å; I366-F1011 HydrophobicContact CG2-CE1 4.3Å; I366-F1011 HydrophobicContact CG2-CE2 3.77Å; I366-F1011 HydrophobicContact CG2-CZ 3.57Å
367Q98.4Very high96.5Very high0 Ų013.5 Ų13.50%06%0.063CC..Hα-helixtrans-62.3-44.1-176-73.7-171.7-7.400112.7M345 T363 N364 C369 L370 T371 W383 E824M345-Q367 HydrophobicContact CE-CB 3.47Å; M345-Q367 VanDerWaalsContact CE-CB 3.47Å; M345-Q367 HydrophobicContact CE-CG 3.66Å; M345-Q367 WeakPolarHBondContact CE-O 3.49Å; M345-Q367 HydrophobicContact SD-CB 4.28Å; M345-Q367 HydrophobicContact SD-CG 3.77Å; T363-Q367 HydrophobicContact CG2-CG 4.46Å; T363-Q367 WeakPolarHBondContact O-CB 3.49Å; T363-Q367 VanDerWaalsContact O-CG 3.22Å; T363-Q367 WeakPolarHBondContact O-CG 3.37Å; T363-Q367 PolarHBondContact O-N 2.99Å; N364-Q367 PolarHBondContact O-N 3.38Å; Q367-C369 VanDerWaalsContact C-N 3.35Å; Q367-L370 PolarHBondContact O-N 3.12Å; Q367-T371 VanDerWaalsContact O-CB 3.3Å; Q367-T371 WeakPolarHBondContact O-CB 3.44Å; Q367-T371 PolarHBondContact O-N 3.3Å; Q367-T371 PolarHBondContact O-OG1 2.91Å; Q367-W383 HydrophobicContact CB-CH2 3.96Å; Q367-W383 HydrophobicContact CB-CZ2 3.34Å; Q367-W383 HydrophobicContact CG-CZ2 4.31Å; Q367-W383 VanDerWaalsContact OE1-CZ2 3.22Å; Q367-E824 VanDerWaalsContact CD-OE2 3.31Å; Q367-E824 HydrophobicContact CG-CB 3.99Å; Q367-E824 HydrophobicContact CG-CG 4.17Å; Q367-E824 WeakPolarHBondContact CG-OE2 3.39Å; Q367-E824 PolarHBondContact NE2-O 3.27Å; Q367-E824 PolarHBondContact NE2-OE2 3.42Å
368D98.5Very high96.7Very high0 Ų013.4 Ų13.40%07%0.073CC..Hα-helixtrans-69.3-36179.2-167.250.2000111.7N364 I366 T371 R372 W383 S443 R927N364-D368 WeakPolarHBondContact O-CB 3.47Å; N364-D368 PolarHBondContact O-N 3.38Å; I366-D368 PolarHBondContact O-N 3.03Å; D368-T371 PolarHBondContact O-N 3.28Å; D368-R372 VanDerWaalsContact O-CB 3.32Å; D368-R372 WeakPolarHBondContact O-CB 3.42Å; D368-R372 VanDerWaalsContact O-CG 3.23Å; D368-R372 WeakPolarHBondContact O-CG 3.37Å; D368-R372 PolarHBondContact O-N 2.87Å; D368-R372 IonicContact OD1-NE 3.31Å; D368-R372 WeakPolarHBondContact OD2-CD 3.42Å; D368-R372 IonicContact OD2-CZ 2.81Å; D368-R372 IonicContact OD2-NE 3.74Å; D368-R372 PolarHBondContact OD2-NE 3.5Å; D368-R372 IonicContact OD2-NH2 2.7Å; D368-W383 HydrophobicContact CB-CE3 4.39Å; D368-W383 HydrophobicContact CB-CH2 3.7Å; D368-W383 HydrophobicContact CB-CZ3 3.43Å; D368-W383 VanDerWaalsContact CB-CZ3 3.43Å; D368-W383 VanDerWaalsContact OD1-CZ3 3.25Å; D368-W383 WeakPolarHBondContact OD1-CZ3 3.28Å; D368-S443 WeakPolarHBondContact OD1-CA 3.41Å; D368-S443 WeakPolarHBondContact OD1-CB 3.44Å; D368-S443 PolarHBondContact OD1-N 3.5Å; D368-S443 PolarHBondContact OD1-OG 3.09Å; D368-R927 IonicContact OD2-CZ 3.69Å; D368-R927 IonicContact OD2-NH1 2.86Å; D368-R927 PolarHBondContact OD2-NH1 2.83Å; D368-R927 IonicContact OD2-NH2 2.72Å; D368-R927 PolarHBondContact OD2-NH2 3.21Å
369C98.1Very high96.9Very high0 Ų014.6 Ų14.60%08%0.078CC..Hα-helixtrans-61.3-48.3175.7-170.90000111.1A365 I366 Q367 R372 W373 F1006 F1011 P1071 L1072A365-C369 WeakPolarHBondContact O-CB 3.11Å; A365-C369 PolarHBondContact O-N 3Å; I366-C369 WeakPolarHBondContact O-CB 3.02Å; I366-C369 PolarHBondContact O-N 2.73Å; Q367-C369 VanDerWaalsContact C-N 3.35Å; C369-R372 PolarHBondContact O-N 2.62Å; C369-W373 WeakPolarHBondContact O-CB 3.21Å; C369-W373 PolarHBondContact O-N 3.37Å; C369-F1006 WeakPolarHBondContact SG-CE1 3.2Å; C369-F1006 VanDerWaalsContact SG-CZ 3.59Å; C369-F1011 HydrophobicContact CB-CE1 4.34Å; C369-P1071 WeakPolarHBondContact CA-O 3.26Å; C369-L1072 VanDerWaalsContact SG-CD2 3.52Å
370L98.4Very high97.2Very high1 Ų114.2 Ų14.21%0.0057%0.074CC..Hα-helixtrans-62.1-47.4174.7-69.9168.6000111.7F343 I366 Q367 R372 W373 H374 L822 F1006 Y1009 F1011F343-L370 HydrophobicContact CZ-CB 4.36Å; I366-L370 HydrophobicContact CG2-CD1 4.15Å; I366-L370 PolarHBondContact O-N 2.9Å; Q367-L370 PolarHBondContact O-N 3.12Å; L370-R372 VanDerWaalsContact C-N 3.34Å; L370-R372 PolarHBondContact O-N 3.09Å; L370-W373 PolarHBondContact O-N 3.12Å; L370-W373 VanDerWaalsContact O-N 3.17Å; L370-H374 PolarHBondContact O-CD2 2.92Å; L370-H374 VanDerWaalsContact O-CD2 3.22Å; L370-H374 PolarHBondContact O-N 3.38Å; L370-L822 HydrophobicContact CD1-CD2 3.66Å; L370-F1006 HydrophobicContact CD2-CD1 4.19Å; L370-Y1009 HydrophobicContact CD1-CD1 4.13Å; L370-Y1009 HydrophobicContact CD1-CE1 4.08Å; L370-Y1009 HydrophobicContact CD2-CD1 4.05Å; L370-Y1009 HydrophobicContact CD2-CE1 4.06Å; L370-F1011 HydrophobicContact CD1-CZ 4.01Å; L370-F1011 HydrophobicContact CD2-CE1 4.32Å; L370-F1011 HydrophobicContact CD2-CZ 4.01Å; L370-F1011 HydrophobicContact CG-CE1 4.17Å; L370-F1011 HydrophobicContact CG-CZ 3.86Å
371T98.6Very high97.4Very high0 Ų011.9 Ų11.90%06%0.063CC..Hα-helixtrans-58.5-45.6179.8-59.80000111.4Q367 D368 R375 T381 W383Q367-T371 VanDerWaalsContact O-CB 3.3Å; Q367-T371 WeakPolarHBondContact O-CB 3.44Å; Q367-T371 PolarHBondContact O-N 3.3Å; Q367-T371 PolarHBondContact O-OG1 2.91Å; D368-T371 PolarHBondContact O-N 3.28Å; T371-R375 VanDerWaalsContact O-CB 3.29Å; T371-R375 WeakPolarHBondContact O-CB 3.29Å; T371-R375 PolarHBondContact O-N 3.25Å; T371-T381 HydrophobicContact CG2-CG2 3.6Å; T371-T381 WeakPolarHBondContact O-CG2 3.18Å; T371-W383 HydrophobicContact CG2-CB 3.68Å; T371-W383 HydrophobicContact CG2-CE3 4.33Å; T371-W383 HydrophobicContact CG2-CG 4.45Å
372R98.6Very high97.5Very high1 Ų111.8 Ų11.80%0.0046%0.062CC..Hα-helixtrans-63.9-43.2176.4-73.7173.9-179.5-86-0.1111.5D368 C369 L370 R375 M376 G441 P1071 P1074 C1097D368-R372 VanDerWaalsContact O-CB 3.32Å; D368-R372 WeakPolarHBondContact O-CB 3.42Å; D368-R372 VanDerWaalsContact O-CG 3.23Å; D368-R372 WeakPolarHBondContact O-CG 3.37Å; D368-R372 PolarHBondContact O-N 2.87Å; D368-R372 IonicContact OD1-NE 3.31Å; D368-R372 WeakPolarHBondContact OD2-CD 3.42Å; D368-R372 IonicContact OD2-CZ 2.81Å; D368-R372 IonicContact OD2-NE 3.74Å; D368-R372 PolarHBondContact OD2-NE 3.5Å; D368-R372 IonicContact OD2-NH2 2.7Å; C369-R372 PolarHBondContact O-N 2.62Å; L370-R372 VanDerWaalsContact C-N 3.34Å; L370-R372 PolarHBondContact O-N 3.09Å; R372-R375 PolarHBondContact O-N 2.94Å; R372-M376 WeakPolarHBondContact O-CB 3.45Å; R372-M376 WeakPolarHBondContact O-CG 3.36Å; R372-M376 PolarHBondContact O-N 2.79Å; R372-G441 PolarHBondContact NH2-O 3.06Å; R372-P1071 HydrophobicContact CB-CB 4.03Å; R372-P1071 HydrophobicContact CB-CG 4.35Å; R372-P1074 VanDerWaalsContact CZ-CB 3.45Å; R372-C1097 PolarHBondContact NH1-SG 3.21Å
373W98.3Very high97.6Very high7 Ų711.8 Ų11.83%0.0276%0.062CC..Hα-helixtrans-61.3-47.9177.5177.970.5000112.3C369 L370 R375 M376 R377 F1006 K1007 P1071 Y1101C369-W373 WeakPolarHBondContact O-CB 3.21Å; C369-W373 PolarHBondContact O-N 3.37Å; L370-W373 PolarHBondContact O-N 3.12Å; L370-W373 VanDerWaalsContact O-N 3.17Å; W373-R375 PolarHBondContact O-N 3.28Å; W373-M376 PolarHBondContact O-N 3.17Å; W373-R377 VanDerWaalsContact CZ2-CD 3.42Å; W373-R377 WeakPolarHBondContact O-CG 3.4Å; W373-R377 PolarHBondContact O-N 3.13Å; W373-F1006 HydrophobicContact CB-CD1 4Å; W373-F1006 HydrophobicContact CB-CE1 3.8Å; W373-F1006 HydrophobicContact CB-CE2 4.42Å; W373-F1006 HydrophobicContact CB-CG 4.38Å; W373-F1006 HydrophobicContact CB-CZ 4.05Å; W373-F1006 AromaticContact CD1-CD2 3.49Å; W373-F1006 VanDerWaalsContact CD1-CD2 3.49Å; W373-F1006 AromaticContact CD1-CE2 3.73Å; W373-F1006 AromaticContact CD1-CG 3.82Å; W373-F1006 HydrophobicContact CD2-CB 3.68Å; W373-F1006 AromaticContact CD2-CD1 3.88Å; W373-F1006 HydrophobicContact CD2-CD1 3.88Å; W373-F1006 HydrophobicContact CD2-CD2 4.12Å; W373-F1006 AromaticContact CD2-CG 3.63Å; W373-F1006 HydrophobicContact CD2-CG 3.63Å; W373-F1006 VanDerWaalsContact CE2-CB 3.46Å; W373-F1006 AromaticContact CE2-CD2 3.95Å; W373-F1006 AromaticContact CE2-CG 3.71Å; W373-F1006 HydrophobicContact CE3-CB 3.95Å; W373-F1006 HydrophobicContact CE3-CD1 4.19Å; W373-F1006 HydrophobicContact CE3-CG 4.19Å; W373-F1006 HydrophobicContact CG-CB 4.3Å; W373-F1006 AromaticContact CG-CD1 3.8Å; W373-F1006 HydrophobicContact CG-CD1 3.8Å; W373-F1006 AromaticContact CG-CD2 3.84Å; W373-F1006 HydrophobicContact CG-CD2 3.84Å; W373-F1006 HydrophobicContact CG-CE1 4.02Å; W373-F1006 HydrophobicContact CG-CE2 4.09Å; W373-F1006 AromaticContact CG-CG 3.71Å; W373-F1006 HydrophobicContact CG-CG 3.71Å; W373-F1006 HydrophobicContact CG-CZ 4.18Å; W373-F1006 HydrophobicContact CH2-CB 3.84Å; W373-F1006 HydrophobicContact CZ2-CB 3.56Å; W373-F1006 HydrophobicContact CZ2-CG 4.32Å; W373-F1006 HydrophobicContact CZ3-CB 4.02Å; W373-F1006 AromaticContact NE1-CD2 3.55Å; W373-F1006 AromaticContact NE1-CG 3.81Å; W373-K1007 HydrophobicContact CH2-CG 4.06Å; W373-K1007 HydrophobicContact CZ2-CG 4.47Å; W373-P1071 HydrophobicContact CB-CG 4.44Å; W373-Y1101 AromaticContact CD1-CD1 3.66Å; W373-Y1101 AromaticContact CD1-CD2 4Å; W373-Y1101 AromaticContact CD1-CE1 3.72Å; W373-Y1101 AromaticContact CD1-CG 3.81Å; W373-Y1101 AromaticContact CD1-CZ 3.93Å; W373-Y1101 AromaticContact NE1-CD1 3.66Å; W373-Y1101 AromaticContact NE1-CE1 3.75Å
374H98.3Very high97.7Very high21 Ų2110.8 Ų10.810%0.0976%0.056CC..Hα-helixtrans-62.1-42.1175.5-79.3-81.3000112.4F343 L370 M376 R377 G378 E379 T381F343-H374 HydrophobicContact CB-CB 3.78Å; F343-H374 HydrophobicContact CD1-CB 4.04Å; F343-H374 HydrophobicContact CD2-CB 4.29Å; F343-H374 AromaticContact CD2-CD2 3.34Å; F343-H374 WeakPolarHBondContact CD2-CD2 3.19Å; F343-H374 AromaticContact CD2-CE1 3.58Å; F343-H374 AromaticContact CD2-CG 3.54Å; F343-H374 AromaticContact CD2-ND1 3.67Å; F343-H374 AromaticContact CD2-NE2 3.4Å; F343-H374 WeakPolarHBondContact CD2-NE2 3.46Å; F343-H374 AromaticContact CE2-CD2 3.41Å; F343-H374 VanDerWaalsContact CE2-CD2 3.41Å; F343-H374 WeakPolarHBondContact CE2-CD2 3.46Å; F343-H374 AromaticContact CE2-NE2 3.42Å; F343-H374 WeakPolarHBondContact CE2-NE2 3.47Å; F343-H374 HydrophobicContact CG-CB 3.77Å; F343-H374 AromaticContact CG-CD2 3.71Å; F343-H374 AromaticContact CG-CG 3.54Å; F343-H374 AromaticContact CG-ND1 3.92Å; F343-H374 AromaticContact CZ-CD2 3.83Å; L370-H374 PolarHBondContact O-CD2 2.92Å; L370-H374 VanDerWaalsContact O-CD2 3.22Å; L370-H374 PolarHBondContact O-N 3.38Å; H374-M376 PolarHBondContact O-N 3.32Å; H374-R377 PolarHBondContact O-N 3.48Å; H374-R377 VanDerWaalsContact O-N 3.14Å; H374-G378 PolarHBondContact O-N 2.87Å; H374-E379 IonicContact CE1-OE1 2.93Å; H374-E379 IonicContact CE1-OE2 3.26Å; H374-E379 IonicContact CG-OE2 2.58Å; H374-E379 IonicContact ND1-OE1 2.6Å; H374-E379 PolarHBondContact ND1-OE1 3.28Å; H374-E379 IonicContact ND1-OE2 3.89Å; H374-E379 PolarHBondContact ND1-OE2 2.73Å; H374-E379 PolarHBondContact O-N 3.2Å; H374-T381 HydrophobicContact CB-CG2 4.39Å
375R98Very high97.7Very high26 Ų2610.7 Ų10.710%0.0986%0.056CC..Hα-helixtrans-60-47.1174.8-174.3-178.3-63.8117.4-5.1111.7F324 F325 T371 R372 W373 R377 G378 T381 S443F324-R375 WeakPolarHBondContact O-CD 3.41Å; F324-R375 PolarHBondContact O-NE 3.04Å; F325-R375 PolarHBondContact O-NH2 2.82Å; T371-R375 VanDerWaalsContact O-CB 3.29Å; T371-R375 WeakPolarHBondContact O-CB 3.29Å; T371-R375 PolarHBondContact O-N 3.25Å; R372-R375 PolarHBondContact O-N 2.94Å; W373-R375 PolarHBondContact O-N 3.28Å; R375-R377 PolarHBondContact O-N 3.31Å; R375-G378 PolarHBondContact O-N 3.27Å; R375-T381 WeakPolarHBondContact CA-OG1 3.34Å; R375-T381 HydrophobicContact CB-CG2 4.23Å; R375-T381 PolarHBondContact N-OG1 3.09Å; R375-S443 VanDerWaalsContact NH1-CB 3.33Å; R375-S443 PolarHBondContact NH1-OG 3.25Å; R375-S443 PolarHBondContact NH2-O 2.75Å; R375-S443 VanDerWaalsContact NH2-O 3.09Å; R375-S443 PolarHBondContact NH2-OG 3.32Å
376M97.7Very high97.5Very high3 Ų310.7 Ų10.72%0.0156%0.056CC..Hα-helixtrans-69-19.7178.2-66.9175.875.300112.4R372 W373 H374 G378 R1067 P1071 T1099 S1100 Y1101R372-M376 WeakPolarHBondContact O-CB 3.45Å; R372-M376 WeakPolarHBondContact O-CG 3.36Å; R372-M376 PolarHBondContact O-N 2.79Å; W373-M376 PolarHBondContact O-N 3.17Å; H374-M376 PolarHBondContact O-N 3.32Å; M376-G378 PolarHBondContact O-N 3.22Å; M376-R1067 HydrophobicContact CE-CB 4.29Å; M376-P1071 HydrophobicContact SD-CG 4.09Å; M376-T1099 WeakPolarHBondContact CB-O 3.27Å; M376-T1099 VanDerWaalsContact CE-O 3.3Å; M376-T1099 WeakPolarHBondContact CE-O 3.5Å; M376-T1099 VanDerWaalsContact CG-O 3.31Å; M376-T1099 WeakPolarHBondContact CG-O 3.33Å; M376-S1100 CarbonylContact O-C 3.49Å; M376-S1100 VanDerWaalsContact O-CA 3.24Å; M376-S1100 WeakPolarHBondContact O-CA 3.33Å; M376-Y1101 HydrophobicContact CB-CD2 4.29Å; M376-Y1101 HydrophobicContact CB-CG 4.47Å; M376-Y1101 HydrophobicContact CE-CD2 3.86Å; M376-Y1101 PolarHBondContact O-N 3.45Å; M376-Y1101 HydrophobicContact SD-CD2 3.99Å
377R95.9Very high97.3Very high92 Ų9210.8 Ų10.835%0.3476%0.056SC..THydrogen-bonded Turntrans-79.1-1.9168.9-73.2178.364-124-11.3113.6W373 H374 R375 E379W373-R377 VanDerWaalsContact CZ2-CD 3.42Å; W373-R377 WeakPolarHBondContact O-CG 3.4Å; W373-R377 PolarHBondContact O-N 3.13Å; H374-R377 PolarHBondContact O-N 3.48Å; H374-R377 VanDerWaalsContact O-N 3.14Å; R375-R377 PolarHBondContact O-N 3.31Å; R377-E379 HydrophobicContact CB-CG 4.43Å; R377-E379 IonicContact CZ-OE1 3.54Å; R377-E379 VanDerWaalsContact CZ-OE1 3.31Å; R377-E379 IonicContact NH1-OE1 2.81Å; R377-E379 PolarHBondContact NH1-OE1 3.15Å; R377-E379 IonicContact NH2-OE1 3.46Å; R377-E379 PolarHBondContact NH2-OE1 2.91Å
378G95.2Very high97.1Very high38 Ų3811 Ų1139%0.3926%0.058SC..THydrogen-bonded Turntrans82.714.3177.500000114.2N338 R340 H374 R375 M376N338-G378 PolarHBondContact ND2-O 3.31Å; R340-G378 WeakPolarHBondContact CB-O 3.13Å; H374-G378 PolarHBondContact O-N 2.87Å; R375-G378 PolarHBondContact O-N 3.27Å; M376-G378 PolarHBondContact O-N 3.22Å
379E96.6Very high96.9Very high26 Ų2611 Ų1112%0.1216%0.058CC..  trans-74.6149.2175.6-55.1-172.6-169.700110.8R340 H374 R377 T381R340-E379 HydrophobicContact CB-CG 4.27Å; R340-E379 WeakPolarHBondContact O-CG 3.27Å; H374-E379 IonicContact CE1-OE1 2.93Å; H374-E379 IonicContact CE1-OE2 3.26Å; H374-E379 IonicContact CG-OE2 2.58Å; H374-E379 IonicContact ND1-OE1 2.6Å; H374-E379 PolarHBondContact ND1-OE1 3.28Å; H374-E379 IonicContact ND1-OE2 3.89Å; H374-E379 PolarHBondContact ND1-OE2 2.73Å; H374-E379 PolarHBondContact O-N 3.2Å; R377-E379 HydrophobicContact CB-CG 4.43Å; R377-E379 IonicContact CZ-OE1 3.54Å; R377-E379 VanDerWaalsContact CZ-OE1 3.31Å; R377-E379 IonicContact NH1-OE1 2.81Å; R377-E379 PolarHBondContact NH1-OE1 3.15Å; R377-E379 IonicContact NH2-OE1 3.46Å; R377-E379 PolarHBondContact NH2-OE1 2.91Å; E379-T381 PolarHBondContact O-N 3.4Å; E379-T381 PolarHBondContact O-OG1 3.05Å
380T97.4Very high96.4Very high5 Ų511.3 Ų11.33%0.0316%0.06CC..EExtended strand (participates in β ladder)trans-70105.6170.8-54.10000107.8P327 R331 N338 G341 I342 F343 F817P327-T380 HydrophobicContact CB-CG2 3.93Å; R331-T380 PolarHBondContact NH1-OG1 3.19Å; N338-T380 WeakPolarHBondContact CB-OG1 3.3Å; N338-T380 PolarHBondContact ND2-N 2.76Å; N338-T380 VanDerWaalsContact ND2-N 3.19Å; N338-T380 PolarHBondContact ND2-OG1 2.99Å; N338-T380 VanDerWaalsContact ND2-OG1 3.14Å; G341-T380 PolarHBondContact O-N 2.91Å; I342-T380 CarbonylContact C-O 3.58Å; I342-T380 WeakPolarHBondContact CA-O 3.48Å; F343-T380 PolarHBondContact N-O 3.05Å; T380-F817 HydrophobicContact CG2-CE1 4.24Å; T380-F817 HydrophobicContact CG2-CZ 4.46Å
381T97.9Very high96Very high3 Ų311.3 Ų11.32%0.0186%0.06CC..EExtended strand (participates in β ladder)trans-113.1120.6-164.6-56.20000110.6F343 T371 H374 R375 E379F343-T381 HydrophobicContact CB-CG2 4.42Å; F343-T381 HydrophobicContact CD1-CG2 3.81Å; F343-T381 CarbonylContact O-C 3.58Å; F343-T381 WeakPolarHBondContact O-CA 3.41Å; T371-T381 HydrophobicContact CG2-CG2 3.6Å; T371-T381 WeakPolarHBondContact O-CG2 3.18Å; H374-T381 HydrophobicContact CB-CG2 4.39Å; R375-T381 WeakPolarHBondContact CA-OG1 3.34Å; R375-T381 HydrophobicContact CB-CG2 4.23Å; R375-T381 PolarHBondContact N-OG1 3.09Å; E379-T381 PolarHBondContact O-N 3.4Å; E379-T381 PolarHBondContact O-OG1 3.05Å
382L98.2Very high95.3Very high0 Ų012.2 Ų12.20%07%0.065CC..EExtended strand (participates in β ladder)trans-122120.3172.217560.8000110.3P327 F343 M344 M345 N384 D445 F805 F817P327-L382 HydrophobicContact CB-CB 4.46Å; P327-L382 HydrophobicContact CG-CB 4.33Å; P327-L382 HydrophobicContact CG-CD1 4.28Å; F343-L382 PolarHBondContact O-N 3.34Å; M344-L382 WeakPolarHBondContact CA-O 3.41Å; M345-L382 PolarHBondContact N-O 3.3Å; L382-N384 HydrophobicContact CG-CB 4.47Å; L382-D445 HydrophobicContact CD1-CB 4.03Å; L382-F805 HydrophobicContact CD2-CE1 3.91Å; L382-F805 HydrophobicContact CD2-CZ 4.06Å; L382-F817 HydrophobicContact CB-CD1 3.99Å; L382-F817 HydrophobicContact CB-CE1 3.73Å; L382-F817 HydrophobicContact CB-CZ 4.09Å; L382-F817 HydrophobicContact CD2-CB 4.29Å; L382-F817 HydrophobicContact CD2-CD1 3.97Å; L382-F817 HydrophobicContact CD2-CD2 3.56Å; L382-F817 HydrophobicContact CD2-CE1 4.15Å; L382-F817 HydrophobicContact CD2-CE2 3.77Å; L382-F817 HydrophobicContact CD2-CG 3.68Å; L382-F817 HydrophobicContact CD2-CZ 4.07Å
383W98.3Very high94.5Very high0 Ų012.9 Ų12.90%07%0.07CC..EExtended strand (participates in β ladder)trans-112.7104.2164.1-175.828.5000109.1M345 I347 N364 Q367 D368 T371 P385 L444 D445M345-W383 HydrophobicContact CE-CG 4.27Å; M345-W383 VanDerWaalsContact O-CA 3.31Å; M345-W383 WeakPolarHBondContact O-CA 3.33Å; I347-W383 HydrophobicContact CD1-CZ2 4.47Å; N364-W383 VanDerWaalsContact ND2-CH2 3.29Å; N364-W383 WeakPolarHBondContact ND2-CH2 3.38Å; Q367-W383 HydrophobicContact CB-CH2 3.96Å; Q367-W383 HydrophobicContact CB-CZ2 3.34Å; Q367-W383 HydrophobicContact CG-CZ2 4.31Å; Q367-W383 VanDerWaalsContact OE1-CZ2 3.22Å; D368-W383 HydrophobicContact CB-CE3 4.39Å; D368-W383 HydrophobicContact CB-CH2 3.7Å; D368-W383 HydrophobicContact CB-CZ3 3.43Å; D368-W383 VanDerWaalsContact CB-CZ3 3.43Å; D368-W383 VanDerWaalsContact OD1-CZ3 3.25Å; D368-W383 WeakPolarHBondContact OD1-CZ3 3.28Å; T371-W383 HydrophobicContact CG2-CB 3.68Å; T371-W383 HydrophobicContact CG2-CE3 4.33Å; T371-W383 HydrophobicContact CG2-CG 4.45Å; W383-P385 WeakPolarHBondContact O-CD 3.44Å; W383-L444 HydrophobicContact CB-CD2 4.31Å; W383-L444 HydrophobicContact CD2-CD2 3.28Å; W383-L444 HydrophobicContact CD2-CG 3.86Å; W383-L444 VanDerWaalsContact CE2-CD2 3.45Å; W383-L444 HydrophobicContact CE3-CD2 3.67Å; W383-L444 HydrophobicContact CE3-CG 3.68Å; W383-L444 HydrophobicContact CG-CD2 3.57Å; W383-L444 HydrophobicContact CH2-CD1 4.47Å; W383-L444 HydrophobicContact CH2-CD2 4.35Å; W383-L444 HydrophobicContact CH2-CG 4.17Å; W383-L444 HydrophobicContact CZ2-CD2 4Å; W383-L444 HydrophobicContact CZ2-CG 4.3Å; W383-L444 HydrophobicContact CZ3-CD2 4.17Å; W383-L444 HydrophobicContact CZ3-CG 3.83Å; W383-L444 WeakPolarHBondContact O-CD2 3.46Å; W383-D445 PolarHBondContact O-N 2.85Å
384N97.6Very high94.1Very high1 Ų112.6 Ų12.61%0.0057%0.069CC..EExtended strand (participates in β ladder)trans-86123.4-170.4-157.5103.1000111.6M345 I347 L382 R448 I804M345-N384 PolarHBondContact O-N 3.38Å; I347-N384 WeakPolarHBondContact CG2-O 3.5Å; I347-N384 PolarHBondContact N-O 3.2Å; L382-N384 HydrophobicContact CG-CB 4.47Å; N384-R448 PolarHBondContact ND2-O 3.05Å; N384-R448 VanDerWaalsContact OD1-CB 3.3Å; N384-R448 WeakPolarHBondContact OD1-CB 3.2Å; N384-I804 HydrophobicContact CB-CD1 4Å
385P96.2Very high93.7Very high0 Ų011.7 Ų11.70%07%0.065CC..  trans-79.6158.7175.323.1-21.5000113.2W383 L444 D445 W446 A449 C450W383-P385 WeakPolarHBondContact O-CD 3.44Å; P385-L444 HydrophobicContact CB-CB 4.18Å; P385-L444 HydrophobicContact CB-CD1 4.16Å; P385-L444 HydrophobicContact CB-CD2 3.9Å; P385-L444 HydrophobicContact CB-CG 4.3Å; P385-L444 HydrophobicContact CG-CB 4.11Å; P385-L444 HydrophobicContact CG-CD2 4.35Å; P385-D445 WeakPolarHBondContact CD-O 3.2Å; P385-D445 WeakPolarHBondContact CG-O 3.29Å; P385-W446 HydrophobicContact CB-CE3 4.08Å; P385-W446 HydrophobicContact CB-CZ3 3.94Å; P385-W446 HydrophobicContact CG-CE3 4.06Å; P385-W446 HydrophobicContact CG-CZ3 4.42Å; P385-A449 HydrophobicContact CB-CB 4.29Å; P385-A449 HydrophobicContact CG-CB 3.9Å; P385-C450 PolarHBondContact O-N 3.03Å; P385-C450 PolarHBondContact O-SG 3.02Å; P385-C450 VanDerWaalsContact O-SG 3.34Å
386G93.9Very high93.1Very high1 Ų111.1 Ų11.11%0.017%0.065CC..EExtended strand (participates in β ladder)trans-178.9171.1165.100000113.7I347 P349 P350 C450I347-G386 VanDerWaalsContact CG2-N 3.33Å; P349-G386 WeakPolarHBondContact CA-O 3.47Å; P350-G386 WeakPolarHBondContact CD-O 3.33Å; G386-C450 CarbonylContact C-O 3.56Å; G386-C450 WeakPolarHBondContact CA-O 3.47Å
387C93.9Very high92.5Very high2 Ų212.3 Ų12.31%0.0147%0.072CC..EExtended strand (participates in β ladder)trans-127.6151.4175.5-720000111.6V352 Y434 C450 F451 T452V352-C387 HydrophobicContact CG1-CB 3.9Å; C387-Y434 WeakPolarHBondContact SG-CE1 3.39Å; C387-C450 PolarHBondContact N-O 3.33Å; C387-F451 HydrophobicContact CB-CD2 4.09Å; C387-F451 WeakPolarHBondContact O-CA 3.21Å; C387-F451 WeakPolarHBondContact O-CD2 3.4Å; C387-T452 PolarHBondContact O-N 2.7Å; C387-T452 VanDerWaalsContact O-N 3.15Å
388D94.1Very high92.2Very high5 Ų58.1 Ų8.13%0.0276%0.057CC..BIsolated β-bridgetrans-103.2132.7177.7-168.3-10.9000110.6P349 P350 V352 A390 T452 T793 S797P349-D388 HydrophobicContact CB-CB 4.1Å; P349-D388 HydrophobicContact CG-CB 4.11Å; P350-D388 PolarHBondContact O-N 3.41Å; V352-D388 WeakPolarHBondContact CG2-O 3.46Å; V352-D388 PolarHBondContact N-O 2.93Å; D388-A390 PolarHBondContact O-N 3.47Å; D388-A390 PolarHBondContact OD1-N 3.46Å; D388-T452 HydrophobicContact CB-CG2 4.18Å; D388-T452 PolarHBondContact OD1-OG1 2.71Å; D388-T793 WeakPolarHBondContact OD1-CG2 3.28Å; D388-T793 VanDerWaalsContact OD2-CG2 3.25Å; D388-T793 WeakPolarHBondContact OD2-CG2 2.98Å; D388-S797 PolarHBondContact OD2-OG 2.86Å
389H93.3Very high91.9Very high0 Ų08.5 Ų8.50%05%0.048CC..  trans-58.3-26.4172.275.7-61.8000113.6G391 T394 F451 T452 M453 W731 T793 S796H389-G391 PolarHBondContact CD2-N 2.91Å; H389-G391 PolarHBondContact O-N 3.46Å; H389-T394 VanDerWaalsContact O-CB 3.3Å; H389-T394 WeakPolarHBondContact O-CB 3.35Å; H389-T394 PolarHBondContact O-OG1 3.38Å; H389-F451 VanDerWaalsContact CA-CE2 3.46Å; H389-F451 HydrophobicContact CB-CE1 4.32Å; H389-F451 HydrophobicContact CB-CE2 3.81Å; H389-F451 HydrophobicContact CB-CZ 3.44Å; H389-F451 VanDerWaalsContact CB-CZ 3.44Å; H389-F451 VanDerWaalsContact N-CE2 3.33Å; H389-T452 WeakPolarHBondContact CB-OG1 3.47Å; H389-T452 PolarHBondContact N-OG1 2.62Å; H389-T452 PolarHBondContact ND1-OG1 3.06Å; H389-M453 HydrophobicContact CB-CG 3.79Å; H389-M453 HydrophobicContact CB-SD 3.6Å; H389-W731 HydrophobicContact CB-CZ2 4.3Å; H389-W731 PolarHBondContact O-NE1 3.26Å; H389-W731 VanDerWaalsContact O-NE1 3.08Å; H389-T793 VanDerWaalsContact CE1-CG2 3.45Å; H389-T793 WeakPolarHBondContact CE1-CG2 3.18Å; H389-T793 PolarHBondContact NE2-OG1 3.18Å; H389-S796 PolarHBondContact CE1-OG 3.48Å; H389-S796 VanDerWaalsContact CE1-OG 3.27Å
390A89.1Confident91.3Very high5 Ų512.1 Ų12.14%0.0416%0.063CC..  trans56.718.5173.500000116.4N351 T353 D388 I392 A393N351-A390 HydrophobicContact CB-CB 3.57Å; N351-A390 VanDerWaalsContact CG-CB 3.48Å; T353-A390 HydrophobicContact CG2-CB 4.23Å; D388-A390 PolarHBondContact O-N 3.47Å; D388-A390 PolarHBondContact OD1-N 3.46Å; A390-I392 PolarHBondContact O-N 3.38Å; A390-I392 VanDerWaalsContact O-N 3.09Å; A390-A393 HydrophobicContact CB-CB 4.16Å; A390-A393 WeakPolarHBondContact O-CB 3.47Å; A390-A393 PolarHBondContact O-N 3.02Å
391G88.8Confident90.8Very high1 Ų114 Ų141%0.017%0.071CC..Hα-helixtrans36.8-110171.700000114.3H389 A393 T394 Q395 T793H389-G391 PolarHBondContact CD2-N 2.91Å; H389-G391 PolarHBondContact O-N 3.46Å; G391-A393 VanDerWaalsContact C-N 3.27Å; G391-A393 PolarHBondContact O-N 3Å; G391-T394 PolarHBondContact O-N 3.45Å; G391-Q395 PolarHBondContact O-N 3.07Å; G391-T793 VanDerWaalsContact CA-OG1 3.28Å; G391-T793 WeakPolarHBondContact CA-OG1 3.44Å; G391-T793 PolarHBondContact N-OG1 3.42Å
392I83.1Confident90.4Very high20 Ų2014 Ų1410%0.1037%0.071CC..Hα-helixtrans-51.8-40.1179.5-172.271.7000113.6A390 Q395 V396 L487 E495 L729A390-I392 PolarHBondContact O-N 3.38Å; A390-I392 VanDerWaalsContact O-N 3.09Å; I392-Q395 PolarHBondContact O-N 3.37Å; I392-V396 HydrophobicContact CD1-CG2 4.14Å; I392-V396 HydrophobicContact CG1-CG2 4.21Å; I392-V396 WeakPolarHBondContact O-CB 3.35Å; I392-V396 VanDerWaalsContact O-CG2 3.25Å; I392-V396 WeakPolarHBondContact O-CG2 3.49Å; I392-V396 PolarHBondContact O-N 2.97Å; I392-L487 HydrophobicContact CD1-CD1 4.18Å; I392-E495 WeakPolarHBondContact CG2-OE1 3.41Å; I392-L729 HydrophobicContact CB-CD1 3.67Å; I392-L729 HydrophobicContact CD1-CD1 3.89Å; I392-L729 HydrophobicContact CD1-CD2 3.38Å; I392-L729 HydrophobicContact CD1-CG 4.25Å; I392-L729 HydrophobicContact CG1-CD1 4.39Å
393A82.8Confident89.8Confident15 Ų1520 Ų2012%0.12410%0.097CC..Hα-helixtrans-68.7-41.5-174.100000111T353 A390 G391 V397T353-A393 HydrophobicContact CG2-CB 3.72Å; A390-A393 HydrophobicContact CB-CB 4.16Å; A390-A393 WeakPolarHBondContact O-CB 3.47Å; A390-A393 PolarHBondContact O-N 3.02Å; G391-A393 VanDerWaalsContact C-N 3.27Å; G391-A393 PolarHBondContact O-N 3Å; A393-V397 VanDerWaalsContact O-CG2 3.22Å; A393-V397 WeakPolarHBondContact O-CG2 3.21Å; A393-V397 PolarHBondContact O-N 3.46Å
394T89.3Confident89.1Confident0 Ų026 Ų260%012%0.12CC..Hα-helixtrans-70.1-45.4175.6-58.70000110.6V352 H389 G391 V396 V397 V398 V422V352-T394 HydrophobicContact CG2-CG2 4.18Å; H389-T394 VanDerWaalsContact O-CB 3.3Å; H389-T394 WeakPolarHBondContact O-CB 3.35Å; H389-T394 PolarHBondContact O-OG1 3.38Å; G391-T394 PolarHBondContact O-N 3.45Å; T394-V396 PolarHBondContact O-N 3.15Å; T394-V397 PolarHBondContact O-N 3.27Å; T394-V397 VanDerWaalsContact O-N 3.17Å; T394-V398 HydrophobicContact CG2-CG2 4.41Å; T394-V398 WeakPolarHBondContact O-CG2 3.33Å; T394-V398 PolarHBondContact O-N 3.06Å; T394-V422 HydrophobicContact CG2-CG1 3.73Å
395Q90.4Very high88.5Confident3 Ų331.1 Ų31.11%0.01414%0.144CC..Hα-helixtrans-55.9-50.5179-179.3168.1-42.200111.8G391 I392 V397 V398 E399 F418 W731G391-Q395 PolarHBondContact O-N 3.07Å; I392-Q395 PolarHBondContact O-N 3.37Å; Q395-V397 VanDerWaalsContact C-N 3.29Å; Q395-V397 PolarHBondContact O-N 2.78Å; Q395-V398 PolarHBondContact O-N 3.46Å; Q395-E399 HydrophobicContact CG-CG 4.39Å; Q395-E399 VanDerWaalsContact CG-OE1 3.24Å; Q395-E399 WeakPolarHBondContact CG-OE1 3.43Å; Q395-E399 PolarHBondContact NE2-OE1 3.48Å; Q395-E399 WeakPolarHBondContact O-CG 3.28Å; Q395-E399 PolarHBondContact O-N 3.3Å; Q395-F418 HydrophobicContact CG-CE1 3.78Å; Q395-F418 HydrophobicContact CG-CZ 3.7Å; Q395-W731 HydrophobicContact CB-CB 4.28Å
396V85.3Confident88.1Confident14 Ų1436.3 Ų36.39%0.08517%0.166CC..Hα-helixtrans-60.9-37.6179.5169.30000112.1I392 T394 K400 L487I392-V396 HydrophobicContact CD1-CG2 4.14Å; I392-V396 HydrophobicContact CG1-CG2 4.21Å; I392-V396 WeakPolarHBondContact O-CB 3.35Å; I392-V396 VanDerWaalsContact O-CG2 3.25Å; I392-V396 WeakPolarHBondContact O-CG2 3.49Å; I392-V396 PolarHBondContact O-N 2.97Å; T394-V396 PolarHBondContact O-N 3.15Å; V396-K400 HydrophobicContact CG1-CD 4.23Å; V396-K400 WeakPolarHBondContact O-CB 3.33Å; V396-K400 VanDerWaalsContact O-CG 3.32Å; V396-K400 WeakPolarHBondContact O-CG 3.27Å; V396-K400 PolarHBondContact O-N 2.87Å; V396-L487 HydrophobicContact CG2-CD2 3.85Å
397V85Confident87.8Confident28 Ų2838.1 Ų38.117%0.1719%0.185CC..Hα-helixtrans-68-41.6179.1169.40000111.3A393 T394 Q395 K401 W425 N897A393-V397 VanDerWaalsContact O-CG2 3.22Å; A393-V397 WeakPolarHBondContact O-CG2 3.21Å; A393-V397 PolarHBondContact O-N 3.46Å; T394-V397 PolarHBondContact O-N 3.27Å; T394-V397 VanDerWaalsContact O-N 3.17Å; Q395-V397 VanDerWaalsContact C-N 3.29Å; Q395-V397 PolarHBondContact O-N 2.78Å; V397-K401 WeakPolarHBondContact O-CB 3.29Å; V397-K401 PolarHBondContact O-N 2.83Å; V397-K401 VanDerWaalsContact O-N 3.09Å; V397-W425 HydrophobicContact CB-CZ2 4.49Å; V397-W425 HydrophobicContact CG1-CH2 3.46Å; V397-W425 VanDerWaalsContact CG1-CH2 3.46Å; V397-W425 HydrophobicContact CG1-CZ2 3.24Å; V397-W425 HydrophobicContact CG1-CZ3 4.26Å; V397-N897 PolarHBondContact O-ND2 2.96Å
398V89.6Confident87.6Confident4 Ų441 Ų412%0.02420%0.2CC..Hα-helixtrans-69.2-42.8177.5176.40000111.1T394 Q395 K400 K401 L402 F418 E421 V422 W425T394-V398 HydrophobicContact CG2-CG2 4.41Å; T394-V398 WeakPolarHBondContact O-CG2 3.33Å; T394-V398 PolarHBondContact O-N 3.06Å; Q395-V398 PolarHBondContact O-N 3.46Å; V398-K400 PolarHBondContact O-N 2.84Å; V398-K401 WeakPolarHBondContact O-CB 3.47Å; V398-K401 PolarHBondContact O-N 2.68Å; V398-L402 HydrophobicContact CG1-CD1 3.94Å; V398-L402 HydrophobicContact CG1-CG 4.34Å; V398-L402 WeakPolarHBondContact O-CG 3.27Å; V398-L402 PolarHBondContact O-N 2.78Å; V398-F418 HydrophobicContact CB-CZ 4.48Å; V398-F418 HydrophobicContact CG1-CE2 4.03Å; V398-F418 HydrophobicContact CG1-CZ 4.31Å; V398-E421 HydrophobicContact CG1-CB 4.37Å; V398-V422 HydrophobicContact CB-CG2 4.18Å; V398-V422 HydrophobicContact CG1-CG2 3.97Å; V398-V422 HydrophobicContact CG2-CG1 4.49Å; V398-V422 HydrophobicContact CG2-CG2 4.19Å; V398-W425 HydrophobicContact CG2-CB 3.77Å; V398-W425 HydrophobicContact CG2-CD2 4.04Å; V398-W425 HydrophobicContact CG2-CG 3.64Å
399E89Confident87.2Confident45 Ų4542.5 Ų42.521%0.2121%0.211CC..Hα-helixtrans-59.7-45.3175.5-75.9-178.2-153.200112.2Q395 K401 L402 K403 R410 F418Q395-E399 HydrophobicContact CG-CG 4.39Å; Q395-E399 VanDerWaalsContact CG-OE1 3.24Å; Q395-E399 WeakPolarHBondContact CG-OE1 3.43Å; Q395-E399 PolarHBondContact NE2-OE1 3.48Å; Q395-E399 WeakPolarHBondContact O-CG 3.28Å; Q395-E399 PolarHBondContact O-N 3.3Å; E399-K401 VanDerWaalsContact C-N 3.32Å; E399-K401 PolarHBondContact O-N 3.45Å; E399-L402 PolarHBondContact O-N 3.42Å; E399-K403 WeakPolarHBondContact O-CB 3.5Å; E399-K403 PolarHBondContact O-N 2.93Å; E399-R410 HydrophobicContact CG-CB 4.26Å; E399-R410 WeakPolarHBondContact OE1-CD 3.22Å; E399-R410 IonicContact OE1-NE 3.69Å; E399-F418 HydrophobicContact CG-CE2 3.65Å; E399-F418 HydrophobicContact CG-CZ 3.77Å
400K84.4Confident86.9Confident102 Ų10243 Ų4344%0.44321%0.212SC..Hα-helixtrans-61.4-41.3175.9-76.3-178.7179.4-173.90112V396 V398 K403 R404V396-K400 HydrophobicContact CG1-CD 4.23Å; V396-K400 WeakPolarHBondContact O-CB 3.33Å; V396-K400 VanDerWaalsContact O-CG 3.32Å; V396-K400 WeakPolarHBondContact O-CG 3.27Å; V396-K400 PolarHBondContact O-N 2.87Å; V398-K400 PolarHBondContact O-N 2.84Å; K400-K403 PolarHBondContact O-N 2.89Å; K400-R404 WeakPolarHBondContact O-CB 3.46Å; K400-R404 PolarHBondContact O-N 3.04Å
401K86.2Confident86.8Confident44 Ų4447.9 Ų47.919%0.19123%0.234CC..Hα-helixtrans-60.8-51.1175.8-175.1-171.4178.8-177.40110.9V397 V398 E399 K403 R404 E405 W425V397-K401 WeakPolarHBondContact O-CB 3.29Å; V397-K401 PolarHBondContact O-N 2.83Å; V397-K401 VanDerWaalsContact O-N 3.09Å; V398-K401 WeakPolarHBondContact O-CB 3.47Å; V398-K401 PolarHBondContact O-N 2.68Å; E399-K401 VanDerWaalsContact C-N 3.32Å; E399-K401 PolarHBondContact O-N 3.45Å; K401-K403 VanDerWaalsContact C-N 3.33Å; K401-K403 PolarHBondContact O-N 3.3Å; K401-R404 PolarHBondContact O-N 3.35Å; K401-E405 WeakPolarHBondContact CE-OE1 3.33Å; K401-E405 WeakPolarHBondContact CE-OE2 3.47Å; K401-E405 VanDerWaalsContact CG-CD 3.49Å; K401-E405 HydrophobicContact CG-CG 4.43Å; K401-E405 WeakPolarHBondContact CG-OE1 3.34Å; K401-E405 WeakPolarHBondContact O-CB 3.3Å; K401-E405 PolarHBondContact O-N 3.38Å; K401-W425 HydrophobicContact CD-CE3 3.92Å; K401-W425 HydrophobicContact CD-CZ3 3.85Å
402L89.1Confident86.8Confident4 Ų452.9 Ų52.92%0.02126%0.261CS..Hα-helixtrans-59.8-42.9179.1-72.4168.9000111.8V398 E399 R404 K406 G407 L413 F418 E421V398-L402 HydrophobicContact CG1-CD1 3.94Å; V398-L402 HydrophobicContact CG1-CG 4.34Å; V398-L402 WeakPolarHBondContact O-CG 3.27Å; V398-L402 PolarHBondContact O-N 2.78Å; E399-L402 PolarHBondContact O-N 3.42Å; L402-R404 PolarHBondContact O-N 3.49Å; L402-K406 HydrophobicContact CD2-CD 4.07Å; L402-K406 WeakPolarHBondContact O-CA 3.46Å; L402-K406 WeakPolarHBondContact O-CB 3.45Å; L402-K406 PolarHBondContact O-N 2.91Å; L402-G407 PolarHBondContact O-N 3.44Å; L402-L413 HydrophobicContact CD1-CD1 3.7Å; L402-L413 HydrophobicContact CD2-CD1 4.31Å; L402-F418 HydrophobicContact CD1-CD2 3.9Å; L402-F418 HydrophobicContact CD1-CE2 3.87Å; L402-E421 HydrophobicContact CD2-CG 4.3Å
403K85.6Confident87.2Confident125 Ų12553.7 Ų53.754%0.54327%0.265SS..Hα-helixtrans-64.9-40.4178.3-16965.4-178.1175.30112.1E399 K400 K401 G407 L408E399-K403 WeakPolarHBondContact O-CB 3.5Å; E399-K403 PolarHBondContact O-N 2.93Å; K400-K403 PolarHBondContact O-N 2.89Å; K401-K403 VanDerWaalsContact C-N 3.33Å; K401-K403 PolarHBondContact O-N 3.3Å; K403-G407 PolarHBondContact NZ-O 3.13Å; K403-G407 WeakPolarHBondContact O-CA 3.26Å; K403-G407 PolarHBondContact O-N 3.43Å; K403-G407 VanDerWaalsContact O-N 3.1Å; K403-L408 WeakPolarHBondContact CA-O 3.17Å; K403-L408 PolarHBondContact N-O 3.1Å
404R83.5Confident87.6Confident127 Ų12754.4 Ų54.448%0.47927%0.274SS..Hα-helixtrans-69.7-45.9178.3-177.5-174.762.5-142-9.9112.6K400 K401 L402 S896 N897K400-R404 WeakPolarHBondContact O-CB 3.46Å; K400-R404 PolarHBondContact O-N 3.04Å; K401-R404 PolarHBondContact O-N 3.35Å; L402-R404 PolarHBondContact O-N 3.49Å; R404-S896 PolarHBondContact NH1-O 2.93Å; R404-S896 VanDerWaalsContact NH1-O 3.11Å; R404-N897 PolarHBondContact NH1-OD1 2.96Å; R404-N897 PolarHBondContact NH2-OD1 3.21Å
405E85.6Confident87.8Confident108 Ų10857.5 Ų57.551%0.50529%0.286SS..Hα-helixtrans-86.3-35.7-171.1-70170.7-164.300113K401K401-E405 WeakPolarHBondContact CE-OE1 3.33Å; K401-E405 WeakPolarHBondContact CE-OE2 3.47Å; K401-E405 VanDerWaalsContact CG-CD 3.49Å; K401-E405 HydrophobicContact CG-CG 4.43Å; K401-E405 WeakPolarHBondContact CG-OE1 3.34Å; K401-E405 WeakPolarHBondContact O-CB 3.3Å; K401-E405 PolarHBondContact O-N 3.38Å
406K88.3Confident87.9Confident110 Ų11064.7 Ų64.748%0.47832%0.319SS..Hα-helixtrans-119.3-10.7-173.5-57.6-177.6-176175.50113.6L402 L408 E421L402-K406 HydrophobicContact CD2-CD 4.07Å; L402-K406 WeakPolarHBondContact O-CA 3.46Å; L402-K406 WeakPolarHBondContact O-CB 3.45Å; L402-K406 PolarHBondContact O-N 2.91Å; K406-L408 HydrophobicContact CB-CB 4.44Å; K406-L408 HydrophobicContact CB-CD1 4.13Å; K406-L408 HydrophobicContact CB-CG 4.06Å; K406-L408 HydrophobicContact CD-CD1 4.42Å; K406-L408 PolarHBondContact O-N 3.28Å; K406-E421 IonicContact NZ-OE1 2.7Å; K406-E421 PolarHBondContact NZ-OE1 3.04Å
407G87Confident88.3Confident39 Ų3968 Ų6840%0.40234%0.336SS..SBendtrans73.50-174.700000115L402 K403L402-G407 PolarHBondContact O-N 3.44Å; K403-G407 PolarHBondContact NZ-O 3.13Å; K403-G407 WeakPolarHBondContact O-CA 3.26Å; K403-G407 PolarHBondContact O-N 3.43Å; K403-G407 VanDerWaalsContact O-N 3.1Å
408L89.8Confident88.7Confident63 Ų6366.6 Ų66.633%0.3333%0.328SS..  trans-89.9151.5-174.9-59.3176.6000112.5K403 K406 D412 L413K403-L408 WeakPolarHBondContact CA-O 3.17Å; K403-L408 PolarHBondContact N-O 3.1Å; K406-L408 HydrophobicContact CB-CB 4.44Å; K406-L408 HydrophobicContact CB-CD1 4.13Å; K406-L408 HydrophobicContact CB-CG 4.06Å; K406-L408 HydrophobicContact CD-CD1 4.42Å; K406-L408 PolarHBondContact O-N 3.28Å; L408-D412 HydrophobicContact CD2-CB 4.24Å; L408-L413 HydrophobicContact CD1-CD2 4.01Å; L408-L413 HydrophobicContact CD1-CG 4.48Å
409S85.9Confident88.9Confident36 Ų3668.6 Ų68.625%0.25234%0.338SS..  trans-100.9168.3167.773.80000111.5H411 D412 L413S409-H411 PolarHBondContact O-N 3.08Å; S409-H411 PolarHBondContact OG-N 2.94Å; S409-D412 WeakPolarHBondContact CA-OD2 3.44Å; S409-D412 VanDerWaalsContact CB-OD2 3.31Å; S409-D412 WeakPolarHBondContact CB-OD2 3.38Å; S409-D412 PolarHBondContact N-OD2 3.09Å; S409-D412 PolarHBondContact O-N 3.45Å; S409-D412 PolarHBondContact OG-N 3Å; S409-D412 PolarHBondContact OG-OD2 3.29Å; S409-L413 PolarHBondContact O-N 2.99Å
410R87.1Confident89.2Confident9 Ų972.4 Ų72.43%0.03436%0.356CS..Hα-helixtrans-57.8-35.9172.264.9162.9174.3168-4.8112.1E399 D412 L413 G414 F418 L487 W730E399-R410 HydrophobicContact CG-CB 4.26Å; E399-R410 WeakPolarHBondContact OE1-CD 3.22Å; E399-R410 IonicContact OE1-NE 3.69Å; R410-D412 PolarHBondContact O-N 3.4Å; R410-L413 PolarHBondContact O-N 3.26Å; R410-G414 PolarHBondContact O-N 2.86Å; R410-G414 VanDerWaalsContact O-N 3.1Å; R410-F418 HydrophobicContact CB-CB 4.49Å; R410-F418 HydrophobicContact CB-CD1 4.42Å; R410-F418 HydrophobicContact CB-CD2 3.55Å; R410-F418 HydrophobicContact CB-CE2 3.84Å; R410-F418 HydrophobicContact CB-CG 3.87Å; R410-F418 HydrophobicContact CB-CZ 4.4Å; R410-L487 PolarHBondContact NH2-O 3.12Å; R410-W730 HydrophobicContact CB-CE3 3.99Å; R410-W730 HydrophobicContact CB-CH2 4.32Å; R410-W730 HydrophobicContact CB-CZ3 3.65Å; R410-W730 HydrophobicContact CG-CE3 4.29Å; R410-W730 HydrophobicContact CG-CH2 4.24Å; R410-W730 HydrophobicContact CG-CZ3 3.99Å; R410-W730 WeakPolarHBondContact O-CH2 3.45Å; R410-W730 WeakPolarHBondContact O-CZ3 3.44Å
411H87.3Confident89.6Confident108 Ų10869.9 Ų69.950%0.535%0.346SS..Hα-helixtrans-69.7-34-177.9-61.6-69.6000112S409 L413 G414 W730S409-H411 PolarHBondContact O-N 3.08Å; S409-H411 PolarHBondContact OG-N 2.94Å; H411-L413 VanDerWaalsContact C-N 3.26Å; H411-L413 PolarHBondContact O-N 3.43Å; H411-G414 PolarHBondContact O-N 2.91Å; H411-W730 AromaticContact ND1-CH2 3.91Å; H411-W730 AromaticContact ND1-CZ2 3.81Å
412D89.5Confident90Very high107 Ų10767.8 Ų67.857%0.57234%0.337SS*.Hα-helixtrans-66.7-28.6175.4-55-48.2000112.2L408 S409 R410L408-D412 HydrophobicContact CD2-CB 4.24Å; S409-D412 WeakPolarHBondContact CA-OD2 3.44Å; S409-D412 VanDerWaalsContact CB-OD2 3.31Å; S409-D412 WeakPolarHBondContact CB-OD2 3.38Å; S409-D412 PolarHBondContact N-OD2 3.09Å; S409-D412 PolarHBondContact O-N 3.45Å; S409-D412 PolarHBondContact OG-N 3Å; S409-D412 PolarHBondContact OG-OD2 3.29Å; R410-D412 PolarHBondContact O-N 3.4Å
413L90.4Very high90.2Very high36 Ų3671.7 Ų71.719%0.18835%0.351CS..Hα-helixtrans-86.3-28.6-179.8-72.3169.7000113.7L402 L408 S409 R410 H411 N417L402-L413 HydrophobicContact CD1-CD1 3.7Å; L402-L413 HydrophobicContact CD2-CD1 4.31Å; L408-L413 HydrophobicContact CD1-CD2 4.01Å; L408-L413 HydrophobicContact CD1-CG 4.48Å; S409-L413 PolarHBondContact O-N 2.99Å; R410-L413 PolarHBondContact O-N 3.26Å; H411-L413 VanDerWaalsContact C-N 3.26Å; H411-L413 PolarHBondContact O-N 3.43Å; L413-N417 HydrophobicContact CB-CB 4.27Å; L413-N417 WeakPolarHBondContact O-CB 3.4Å; L413-N417 PolarHBondContact O-ND2 2.8Å
414G92.2Very high90.4Very high30 Ų3071.2 Ų71.231%0.30935%0.349SS..  trans77.4162.5-16600000113.3R410 H411 E416 F418R410-G414 PolarHBondContact O-N 2.86Å; R410-G414 VanDerWaalsContact O-N 3.1Å; H411-G414 PolarHBondContact O-N 2.91Å; G414-E416 PolarHBondContact O-N 3.37Å; G414-F418 VanDerWaalsContact O-CB 3.31Å; G414-F418 WeakPolarHBondContact O-CB 3.33Å; G414-F418 PolarHBondContact O-N 2.93Å; G414-F418 VanDerWaalsContact O-N 3.08Å
415R91.8Very high90.8Very high65 Ų6566.1 Ų66.125%0.24533%0.33CS..Hα-helixtrans-60.2-47.2-170.2-174.6173.3-176.2157.64.5113.3F418 I419 W730 E788R415-F418 PolarHBondContact O-N 3.09Å; R415-I419 HydrophobicContact CG-CD1 3.84Å; R415-I419 VanDerWaalsContact O-CG1 3.3Å; R415-I419 WeakPolarHBondContact O-CG1 3.46Å; R415-I419 PolarHBondContact O-N 3.49Å; R415-W730 HydrophobicContact CB-CD2 4.09Å; R415-W730 HydrophobicContact CB-CE3 4.11Å; R415-W730 HydrophobicContact CB-CH2 4.5Å; R415-W730 HydrophobicContact CB-CZ3 4.29Å; R415-W730 HydrophobicContact CG-CB 4.18Å; R415-W730 HydrophobicContact CG-CD2 3.98Å; R415-W730 HydrophobicContact CG-CE3 4.29Å; R415-W730 HydrophobicContact CG-CG 3.94Å; R415-E788 PolarHBondContact NH1-O 3.31Å; R415-E788 PolarHBondContact NH2-O 3.28Å
416E92.9Very high91Very high155 Ų15562.8 Ų62.872%0.72431%0.314SS*.Hα-helixtrans-63.9-52.1-175.5-65.9176.6179.100112.1G414 F418 I419 Q420G414-E416 PolarHBondContact O-N 3.37Å; E416-F418 VanDerWaalsContact C-N 3.3Å; E416-F418 PolarHBondContact O-N 2.98Å; E416-I419 PolarHBondContact O-N 3.43Å; E416-Q420 WeakPolarHBondContact O-CG 3.38Å; E416-Q420 PolarHBondContact O-N 2.92Å; E416-Q420 VanDerWaalsContact O-N 3.1Å
417N94Very high91Very high82 Ų8261.4 Ų61.444%0.43931%0.311SS..Hα-helixtrans-63.7-37.3179.2-65.1-37.1000111.8L413 Q420 E421L413-N417 HydrophobicContact CB-CB 4.27Å; L413-N417 WeakPolarHBondContact O-CB 3.4Å; L413-N417 PolarHBondContact O-ND2 2.8Å; N417-Q420 PolarHBondContact O-N 2.6Å; N417-E421 PolarHBondContact O-N 3.03Å
418F94.3Very high90.8Very high0 Ų063.7 Ų63.70%031%0.312CS..Hα-helixtrans-62.7-45.8174.8179.6-98.9000111.9Q395 V398 E399 L402 R410 G414 R415 E416 Q420 E421 V422 W730Q395-F418 HydrophobicContact CG-CE1 3.78Å; Q395-F418 HydrophobicContact CG-CZ 3.7Å; V398-F418 HydrophobicContact CB-CZ 4.48Å; V398-F418 HydrophobicContact CG1-CE2 4.03Å; V398-F418 HydrophobicContact CG1-CZ 4.31Å; E399-F418 HydrophobicContact CG-CE2 3.65Å; E399-F418 HydrophobicContact CG-CZ 3.77Å; L402-F418 HydrophobicContact CD1-CD2 3.9Å; L402-F418 HydrophobicContact CD1-CE2 3.87Å; R410-F418 HydrophobicContact CB-CB 4.49Å; R410-F418 HydrophobicContact CB-CD1 4.42Å; R410-F418 HydrophobicContact CB-CD2 3.55Å; R410-F418 HydrophobicContact CB-CE2 3.84Å; R410-F418 HydrophobicContact CB-CG 3.87Å; R410-F418 HydrophobicContact CB-CZ 4.4Å; G414-F418 VanDerWaalsContact O-CB 3.31Å; G414-F418 WeakPolarHBondContact O-CB 3.33Å; G414-F418 PolarHBondContact O-N 2.93Å; G414-F418 VanDerWaalsContact O-N 3.08Å; R415-F418 PolarHBondContact O-N 3.09Å; E416-F418 VanDerWaalsContact C-N 3.3Å; E416-F418 PolarHBondContact O-N 2.98Å; F418-Q420 VanDerWaalsContact C-N 3.27Å; F418-Q420 PolarHBondContact O-N 2.71Å; F418-E421 PolarHBondContact O-N 2.96Å; F418-E421 VanDerWaalsContact O-N 3.14Å; F418-V422 HydrophobicContact CD1-CG2 4.05Å; F418-V422 HydrophobicContact CE1-CG2 3.51Å; F418-V422 HydrophobicContact CE2-CG2 4.35Å; F418-V422 HydrophobicContact CZ-CG2 3.66Å; F418-V422 WeakPolarHBondContact O-CG2 3.25Å; F418-V422 PolarHBondContact O-N 3.4Å; F418-W730 HydrophobicContact CB-CE3 3.83Å; F418-W730 HydrophobicContact CB-CZ3 3.93Å; F418-W730 HydrophobicContact CD1-CB 4.2Å; F418-W730 AromaticContact CD1-CE3 3.72Å; F418-W730 HydrophobicContact CD1-CE3 3.72Å; F418-W730 AromaticContact CG-CE3 3.9Å; F418-W730 HydrophobicContact CG-CE3 3.9Å; F418-W730 HydrophobicContact CG-CZ3 4.28Å
419I93.7Very high90.6Very high45 Ų4562.9 Ų62.923%0.23131%0.306CS..Hα-helixtrans-59.8-37.9177.5-73.2169.7000111.2R415 E416 V422 W423 W731R415-I419 HydrophobicContact CG-CD1 3.84Å; R415-I419 VanDerWaalsContact O-CG1 3.3Å; R415-I419 WeakPolarHBondContact O-CG1 3.46Å; R415-I419 PolarHBondContact O-N 3.49Å; E416-I419 PolarHBondContact O-N 3.43Å; I419-V422 PolarHBondContact O-N 2.95Å; I419-W423 PolarHBondContact O-N 2.98Å; I419-W731 HydrophobicContact CG2-CE3 4.48Å; I419-W731 HydrophobicContact CG2-CZ3 4.22Å
420Q94.3Very high90.4Very high126 Ų12661.4 Ų61.459%0.58930%0.296SS*.Hα-helixtrans-62-42.3175.1-68.4176.58.200112.5E416 N417 F418 V422 W423 K424E416-Q420 WeakPolarHBondContact O-CG 3.38Å; E416-Q420 PolarHBondContact O-N 2.92Å; E416-Q420 VanDerWaalsContact O-N 3.1Å; N417-Q420 PolarHBondContact O-N 2.6Å; F418-Q420 VanDerWaalsContact C-N 3.27Å; F418-Q420 PolarHBondContact O-N 2.71Å; Q420-V422 VanDerWaalsContact C-N 3.3Å; Q420-V422 PolarHBondContact O-N 3.4Å; Q420-W423 PolarHBondContact O-N 3.24Å; Q420-K424 PolarHBondContact O-N 2.92Å
421E93.9Very high90.4Very high49 Ų4966.4 Ų66.423%0.22932%0.323CS..Hα-helixtrans-64-35.5174.7-71.1-75.7-17500111.8V398 L402 K406 N417 F418 K424 W425V398-E421 HydrophobicContact CG1-CB 4.37Å; L402-E421 HydrophobicContact CD2-CG 4.3Å; K406-E421 IonicContact NZ-OE1 2.7Å; K406-E421 PolarHBondContact NZ-OE1 3.04Å; N417-E421 PolarHBondContact O-N 3.03Å; F418-E421 PolarHBondContact O-N 2.96Å; F418-E421 VanDerWaalsContact O-N 3.14Å; E421-K424 PolarHBondContact O-N 3.48Å; E421-W425 PolarHBondContact O-N 3.33Å
422V93Very high90.5Very high0 Ų065.8 Ų65.80%032%0.317CS..Hα-helixtrans-67.8-40.6174.7-176.40000111.8T394 V398 F418 I419 Q420 W425 K426 W731T394-V422 HydrophobicContact CG2-CG1 3.73Å; V398-V422 HydrophobicContact CB-CG2 4.18Å; V398-V422 HydrophobicContact CG1-CG2 3.97Å; V398-V422 HydrophobicContact CG2-CG1 4.49Å; V398-V422 HydrophobicContact CG2-CG2 4.19Å; F418-V422 HydrophobicContact CD1-CG2 4.05Å; F418-V422 HydrophobicContact CE1-CG2 3.51Å; F418-V422 HydrophobicContact CE2-CG2 4.35Å; F418-V422 HydrophobicContact CZ-CG2 3.66Å; F418-V422 WeakPolarHBondContact O-CG2 3.25Å; F418-V422 PolarHBondContact O-N 3.4Å; I419-V422 PolarHBondContact O-N 2.95Å; Q420-V422 VanDerWaalsContact C-N 3.3Å; Q420-V422 PolarHBondContact O-N 3.4Å; V422-W425 WeakPolarHBondContact O-CB 3.31Å; V422-W425 PolarHBondContact O-N 2.94Å; V422-K426 PolarHBondContact O-N 2.97Å; V422-W731 HydrophobicContact CB-CD2 4.15Å; V422-W731 HydrophobicContact CB-CE3 3.87Å; V422-W731 HydrophobicContact CB-CZ3 4.12Å; V422-W731 HydrophobicContact CG1-CD2 3.32Å; V422-W731 VanDerWaalsContact CG1-CE2 3.47Å; V422-W731 HydrophobicContact CG1-CE3 3.53Å; V422-W731 HydrophobicContact CG1-CG 3.78Å; V422-W731 HydrophobicContact CG1-CH2 4Å; V422-W731 HydrophobicContact CG1-CZ2 3.81Å; V422-W731 HydrophobicContact CG1-CZ3 3.86Å
423W93.2Very high90.7Very high85 Ų8560.7 Ų60.732%0.32229%0.29SS..Hα-helixtrans-63.3-40.9173.7-85.9110.9000112.6I419 Q420 W425 K426 N427 F451 M453 W731I419-W423 PolarHBondContact O-N 2.98Å; Q420-W423 PolarHBondContact O-N 3.24Å; W423-W425 VanDerWaalsContact C-N 3.32Å; W423-W425 PolarHBondContact O-N 2.79Å; W423-K426 HydrophobicContact CE3-CD 4.08Å; W423-K426 HydrophobicContact CZ3-CD 4Å; W423-K426 PolarHBondContact O-N 2.67Å; W423-N427 PolarHBondContact O-N 2.92Å; W423-N427 PolarHBondContact O-ND2 2.68Å; W423-F451 HydrophobicContact CH2-CD1 4.08Å; W423-F451 AromaticContact CH2-CE1 3.75Å; W423-F451 HydrophobicContact CH2-CE1 3.75Å; W423-F451 HydrophobicContact CZ3-CD1 4.14Å; W423-F451 AromaticContact CZ3-CE1 3.82Å; W423-F451 HydrophobicContact CZ3-CE1 3.82Å; W423-M453 HydrophobicContact CH2-CB 4.5Å; W423-W731 AromaticContact CD1-CZ3 3.7Å; W423-W731 AromaticContact CD2-CH2 3.72Å; W423-W731 HydrophobicContact CD2-CH2 3.72Å; W423-W731 HydrophobicContact CD2-CZ3 4.2Å; W423-W731 AromaticContact CE2-CH2 3.54Å; W423-W731 AromaticContact CE2-CZ3 3.82Å; W423-W731 HydrophobicContact CE3-CH2 4.25Å; W423-W731 HydrophobicContact CG-CH2 4.03Å; W423-W731 HydrophobicContact CG-CZ3 4.13Å; W423-W731 HydrophobicContact CH2-CH2 4.44Å; W423-W731 AromaticContact CZ2-CH2 3.93Å; W423-W731 HydrophobicContact CZ2-CH2 3.93Å; W423-W731 HydrophobicContact CZ2-CZ3 4.43Å; W423-W731 AromaticContact NE1-CH2 3.74Å; W423-W731 AromaticContact NE1-CZ3 3.5Å
424K91.5Very high90.8Very high115 Ų11561.2 Ų61.250%0.529%0.289SS..Hα-helixtrans-58-47.1173.6-177.4179.5177-179.20111.1Q420 E421 K426 N427 E428Q420-K424 PolarHBondContact O-N 2.92Å; E421-K424 PolarHBondContact O-N 3.48Å; K424-K426 PolarHBondContact O-N 3.49Å; K424-N427 PolarHBondContact O-N 3.43Å; K424-E428 VanDerWaalsContact CE-OE1 3.22Å; K424-E428 WeakPolarHBondContact CE-OE1 3.46Å; K424-E428 WeakPolarHBondContact O-CG 3.29Å; K424-E428 PolarHBondContact O-N 3.35Å; K424-E428 VanDerWaalsContact O-N 3.11Å
425W90.5Very high90.9Very high21 Ų2164.2 Ų64.28%0.0830%0.295CS..Hα-helixtrans-59.7-45.1174.8173-85000112.4V352 V397 V398 K401 E421 V422 W423 N427 E428 K429V352-W425 PolarHBondContact O-NE1 2.92Å; V397-W425 HydrophobicContact CB-CZ2 4.49Å; V397-W425 HydrophobicContact CG1-CH2 3.46Å; V397-W425 VanDerWaalsContact CG1-CH2 3.46Å; V397-W425 HydrophobicContact CG1-CZ2 3.24Å; V397-W425 HydrophobicContact CG1-CZ3 4.26Å; V398-W425 HydrophobicContact CG2-CB 3.77Å; V398-W425 HydrophobicContact CG2-CD2 4.04Å; V398-W425 HydrophobicContact CG2-CG 3.64Å; K401-W425 HydrophobicContact CD-CE3 3.92Å; K401-W425 HydrophobicContact CD-CZ3 3.85Å; E421-W425 PolarHBondContact O-N 3.33Å; V422-W425 WeakPolarHBondContact O-CB 3.31Å; V422-W425 PolarHBondContact O-N 2.94Å; W423-W425 VanDerWaalsContact C-N 3.32Å; W423-W425 PolarHBondContact O-N 2.79Å; W425-N427 VanDerWaalsContact C-N 3.32Å; W425-N427 PolarHBondContact O-N 3.34Å; W425-E428 PolarHBondContact O-N 3.15Å; W425-K429 HydrophobicContact CD2-CG 3.89Å; W425-K429 VanDerWaalsContact CE2-CG 3.47Å; W425-K429 HydrophobicContact CE3-CG 4.44Å; W425-K429 HydrophobicContact CG-CG 4.31Å; W425-K429 HydrophobicContact CH2-CD 4.4Å; W425-K429 HydrophobicContact CH2-CG 4.3Å; W425-K429 HydrophobicContact CZ2-CD 4.2Å; W425-K429 HydrophobicContact CZ2-CG 3.69Å; W425-K429 WeakPolarHBondContact O-CB 3.34Å; W425-K429 WeakPolarHBondContact O-CG 3.41Å; W425-K429 PolarHBondContact O-N 3.13Å
426K90.6Very high91.1Very high38 Ų3861.1 Ų61.117%0.16528%0.283CS..Hα-helixtrans-57.1-45.5177.5178.3-87.6-179.2179.90111.3V352 V422 W423 K424 G430 F451V352-K426 HydrophobicContact CG1-CG 4.34Å; V352-K426 HydrophobicContact CG2-CG 4.33Å; V422-K426 PolarHBondContact O-N 2.97Å; W423-K426 HydrophobicContact CE3-CD 4.08Å; W423-K426 HydrophobicContact CZ3-CD 4Å; W423-K426 PolarHBondContact O-N 2.67Å; K424-K426 PolarHBondContact O-N 3.49Å; K426-G430 WeakPolarHBondContact O-CA 3.07Å; K426-G430 PolarHBondContact O-N 3.01Å; K426-F451 HydrophobicContact CD-CE1 4.28Å; K426-F451 HydrophobicContact CD-CZ 4.33Å; K426-F451 HydrophobicContact CG-CE1 4.07Å; K426-F451 HydrophobicContact CG-CE2 3.95Å; K426-F451 HydrophobicContact CG-CZ 3.68Å
427N88.2Confident91.3Very high80 Ų8054 Ų5443%0.42825%0.25SC..Hα-helixtrans-65.7-47.7-178.5-66.7-19.6000110.7W423 K424 W425 K429 D431W423-N427 PolarHBondContact O-N 2.92Å; W423-N427 PolarHBondContact O-ND2 2.68Å; K424-N427 PolarHBondContact O-N 3.43Å; W425-N427 VanDerWaalsContact C-N 3.32Å; W425-N427 PolarHBondContact O-N 3.34Å; N427-K429 PolarHBondContact O-N 2.94Å; N427-D431 VanDerWaalsContact O-CG 3.32Å; N427-D431 PolarHBondContact O-N 3.4Å
428E83.3Confident91.5Very high87 Ų8752.7 Ų52.741%0.40724%0.241SC..Hα-helixtrans-60.6-41.9177.3-69.9173.1-171.200113.2K424 W425K424-E428 VanDerWaalsContact CE-OE1 3.22Å; K424-E428 WeakPolarHBondContact CE-OE1 3.46Å; K424-E428 WeakPolarHBondContact O-CG 3.29Å; K424-E428 PolarHBondContact O-N 3.35Å; K424-E428 VanDerWaalsContact O-N 3.11Å; W425-E428 PolarHBondContact O-N 3.15Å
429K84.4Confident91.6Very high47 Ų4757.4 Ų57.420%0.20426%0.261CS..Hα-helixtrans-86.9-34-175.5-62.3-49.4-177.3-172.40113.8W425 N427 R432 I433W425-K429 HydrophobicContact CD2-CG 3.89Å; W425-K429 VanDerWaalsContact CE2-CG 3.47Å; W425-K429 HydrophobicContact CE3-CG 4.44Å; W425-K429 HydrophobicContact CG-CG 4.31Å; W425-K429 HydrophobicContact CH2-CD 4.4Å; W425-K429 HydrophobicContact CH2-CG 4.3Å; W425-K429 HydrophobicContact CZ2-CD 4.2Å; W425-K429 HydrophobicContact CZ2-CG 3.69Å; W425-K429 WeakPolarHBondContact O-CB 3.34Å; W425-K429 WeakPolarHBondContact O-CG 3.41Å; W425-K429 PolarHBondContact O-N 3.13Å; N427-K429 PolarHBondContact O-N 2.94Å; K429-R432 PolarHBondContact O-N 3.09Å; K429-I433 WeakPolarHBondContact O-CG1 3.42Å; K429-I433 PolarHBondContact O-N 3.43Å
430G83Confident91.8Very high5 Ų555.3 Ų55.35%0.05225%0.25CS..Hα-helixtrans-60.2-46176.500000111.4K426 R432 I433 Y434K426-G430 WeakPolarHBondContact O-CA 3.07Å; K426-G430 PolarHBondContact O-N 3.01Å; G430-R432 VanDerWaalsContact C-N 3.29Å; G430-R432 PolarHBondContact O-N 3.38Å; G430-I433 WeakPolarHBondContact O-CB 3.18Å; G430-I433 PolarHBondContact O-N 2.82Å; G430-I433 VanDerWaalsContact O-N 3.12Å; G430-Y434 PolarHBondContact O-N 2.97Å
431D85.9Confident91.9Very high114 Ų11449.3 Ų49.361%0.6122%0.222SC*.Hα-helixtrans-61.9-38.4177.9-68.2-11.5000111.8N427 Y434 H435N427-D431 VanDerWaalsContact O-CG 3.32Å; N427-D431 PolarHBondContact O-N 3.4Å; D431-Y434 PolarHBondContact O-N 3.27Å; D431-H435 WeakPolarHBondContact O-CB 3.46Å; D431-H435 PolarHBondContact O-N 3.45Å
432R90.4Very high92.1Very high94 Ų9447 Ų4736%0.35521%0.211SC..Hα-helixtrans-64.1-43.1174.4-178.8174174.9156.9-4.8112.1S355 K429 G430 H435 Q436 D876S355-R432 PolarHBondContact OG-NE 3.1Å; S355-R432 PolarHBondContact OG-NH2 2.69Å; K429-R432 PolarHBondContact O-N 3.09Å; G430-R432 VanDerWaalsContact C-N 3.29Å; G430-R432 PolarHBondContact O-N 3.38Å; R432-H435 WeakPolarHBondContact O-CB 3.39Å; R432-H435 PolarHBondContact O-N 3.2Å; R432-Q436 HydrophobicContact CG-CG 4.46Å; R432-Q436 WeakPolarHBondContact O-CG 3.12Å; R432-Q436 PolarHBondContact O-N 3.26Å; R432-D876 IonicContact CZ-OD2 3.08Å; R432-D876 IonicContact NH2-OD2 3.8Å; R432-D876 PolarHBondContact NH2-OD2 3.46Å
433I92.8Very high92.3Very high1 Ų147 Ų471%0.00521%0.211CC..Hα-helixtrans-59.6-48.2177.8-73.1165.9000110.1P350 V352 L356 K429 G430 H435 Q436 L437P350-I433 HydrophobicContact CB-CD1 4.49Å; P350-I433 HydrophobicContact CB-CG2 4.07Å; P350-I433 HydrophobicContact CG-CG2 4.12Å; V352-I433 HydrophobicContact CG1-CD1 4.45Å; L356-I433 HydrophobicContact CD1-CG2 4.37Å; L356-I433 HydrophobicContact CD2-CG1 4.26Å; L356-I433 HydrophobicContact CD2-CG2 4.04Å; L356-I433 HydrophobicContact CG-CG1 4.44Å; L356-I433 HydrophobicContact CG-CG2 4.3Å; K429-I433 WeakPolarHBondContact O-CG1 3.42Å; K429-I433 PolarHBondContact O-N 3.43Å; G430-I433 WeakPolarHBondContact O-CB 3.18Å; G430-I433 PolarHBondContact O-N 2.82Å; G430-I433 VanDerWaalsContact O-N 3.12Å; I433-H435 VanDerWaalsContact C-N 3.34Å; I433-H435 PolarHBondContact O-N 3.34Å; I433-Q436 PolarHBondContact O-N 3.04Å; I433-L437 HydrophobicContact CG2-CD1 4.21Å; I433-L437 WeakPolarHBondContact O-CG 3.34Å; I433-L437 PolarHBondContact O-N 3.34Å
434Y93.6Very high92.5Very high46 Ų4642.9 Ų42.918%0.1820%0.196CC..Hα-helixtrans-62.9-41.1176.8-65.1-18.6000111.9C387 G430 D431 Q436 L437 K438 W446 A449 C450C387-Y434 WeakPolarHBondContact SG-CE1 3.39Å; G430-Y434 PolarHBondContact O-N 2.97Å; D431-Y434 PolarHBondContact O-N 3.27Å; Y434-Q436 VanDerWaalsContact C-N 3.34Å; Y434-Q436 PolarHBondContact O-N 3.48Å; Y434-L437 HydrophobicContact CD1-CD1 4.32Å; Y434-L437 PolarHBondContact O-N 3.12Å; Y434-K438 VanDerWaalsContact O-CG 3.31Å; Y434-K438 WeakPolarHBondContact O-CG 3.47Å; Y434-K438 PolarHBondContact O-N 2.81Å; Y434-W446 AromaticContact CD1-CZ3 3.79Å; Y434-W446 HydrophobicContact CD1-CZ3 3.79Å; Y434-W446 HydrophobicContact CE1-CZ3 4.37Å; Y434-W446 AromaticContact CG-CZ3 3.97Å; Y434-W446 HydrophobicContact CG-CZ3 3.97Å; Y434-A449 HydrophobicContact CE2-CB 4.37Å; Y434-C450 PolarHBondContact OH-O 3.35Å
435H94.3Very high92.8Very high94 Ų9437.5 Ų37.544%0.43517%0.173SC..Hα-helixtrans-57.8-44.8173.2-177.578.8000112.6D431 R432 I433 K438 K439D431-H435 WeakPolarHBondContact O-CB 3.46Å; D431-H435 PolarHBondContact O-N 3.45Å; R432-H435 WeakPolarHBondContact O-CB 3.39Å; R432-H435 PolarHBondContact O-N 3.2Å; I433-H435 VanDerWaalsContact C-N 3.34Å; I433-H435 PolarHBondContact O-N 3.34Å; H435-K438 PolarHBondContact O-N 3.44Å; H435-K439 WeakPolarHBondContact O-CB 3.44Å; H435-K439 WeakPolarHBondContact O-CG 3.2Å; H435-K439 PolarHBondContact O-N 3.14Å
436Q95.9Very high93.1Very high0 Ų038 Ų380%017%0.174CC..Hα-helixtrans-62.3-43.1177.2-71.2179.1-76.100111.7L356 R432 I433 Y434 K439 L440 D876 L878L356-Q436 HydrophobicContact CB-CB 4.49Å; L356-Q436 HydrophobicContact CD1-CB 3.86Å; L356-Q436 HydrophobicContact CG-CB 4.26Å; R432-Q436 HydrophobicContact CG-CG 4.46Å; R432-Q436 WeakPolarHBondContact O-CG 3.12Å; R432-Q436 PolarHBondContact O-N 3.26Å; I433-Q436 PolarHBondContact O-N 3.04Å; Y434-Q436 VanDerWaalsContact C-N 3.34Å; Y434-Q436 PolarHBondContact O-N 3.48Å; Q436-K439 PolarHBondContact O-N 3.31Å; Q436-L440 WeakPolarHBondContact O-CG 3.13Å; Q436-L440 PolarHBondContact O-N 3.15Å; Q436-D876 PolarHBondContact NE2-OD1 2.94Å; Q436-D876 PolarHBondContact NE2-OD2 3.49Å; Q436-L878 HydrophobicContact CG-CD1 3.82Å; Q436-L878 HydrophobicContact CG-CG 4.01Å
437L97.1Very high93.3Very high4 Ų441.8 Ų41.82%0.02120%0.197CC..Hα-helixtrans-63.3-41.9175.4-67.2173000111.9I347 L356 N364 I433 Y434 K439 L440 G441 S442 L444 W446I347-L437 HydrophobicContact CD1-CD1 4.05Å; I347-L437 HydrophobicContact CD1-CD2 4.3Å; L356-L437 HydrophobicContact CD1-CD2 3.66Å; L356-L437 HydrophobicContact CD1-CG 3.82Å; N364-L437 HydrophobicContact CB-CD2 4.49Å; N364-L437 WeakPolarHBondContact ND2-CD2 3.46Å; I433-L437 HydrophobicContact CG2-CD1 4.21Å; I433-L437 WeakPolarHBondContact O-CG 3.34Å; I433-L437 PolarHBondContact O-N 3.34Å; Y434-L437 HydrophobicContact CD1-CD1 4.32Å; Y434-L437 PolarHBondContact O-N 3.12Å; L437-K439 VanDerWaalsContact C-N 3.34Å; L437-K439 PolarHBondContact O-N 3.22Å; L437-L440 WeakPolarHBondContact O-CB 3.47Å; L437-L440 PolarHBondContact O-N 3.43Å; L437-G441 PolarHBondContact O-N 2.97Å; L437-S442 VanDerWaalsContact O-CB 3.29Å; L437-S442 WeakPolarHBondContact O-CB 3.26Å; L437-S442 PolarHBondContact O-N 2.84Å; L437-S442 PolarHBondContact O-OG 3.24Å; L437-L444 HydrophobicContact CB-CD1 4.4Å; L437-L444 HydrophobicContact CD1-CD1 4.1Å; L437-W446 HydrophobicContact CB-CH2 3.77Å; L437-W446 HydrophobicContact CB-CZ2 4.39Å; L437-W446 HydrophobicContact CD1-CH2 4.17Å
438K96.7Very high93.6Very high56 Ų5640 Ų4024%0.24318%0.184CC..Hα-helixtrans-61.1-43.8174.2-69.4-171173.8-157.60111.2Y316 E320 Y434 H435 L440 G441 W446Y316-K438 HydrophobicContact CD1-CB 4.08Å; Y316-K438 HydrophobicContact CD1-CD 4.41Å; Y316-K438 HydrophobicContact CD1-CG 4.33Å; Y316-K438 WeakPolarHBondContact CD2-O 3.12Å; Y316-K438 HydrophobicContact CE1-CB 3.57Å; Y316-K438 HydrophobicContact CE1-CD 3.68Å; Y316-K438 HydrophobicContact CE1-CG 3.43Å; Y316-K438 VanDerWaalsContact CE1-CG 3.43Å; Y316-K438 HydrophobicContact CE2-CB 4.34Å; Y316-K438 VanDerWaalsContact CE2-O 3.24Å; Y316-K438 WeakPolarHBondContact CE2-O 3.4Å; E320-K438 IonicContact OE1-NZ 3.2Å; E320-K438 PolarHBondContact OE1-NZ 2.82Å; E320-K438 IonicContact OE2-NZ 2.98Å; E320-K438 PolarHBondContact OE2-NZ 2.88Å; Y434-K438 VanDerWaalsContact O-CG 3.31Å; Y434-K438 WeakPolarHBondContact O-CG 3.47Å; Y434-K438 PolarHBondContact O-N 2.81Å; H435-K438 PolarHBondContact O-N 3.44Å; K438-L440 VanDerWaalsContact C-N 3.3Å; K438-L440 PolarHBondContact O-N 3.08Å; K438-G441 PolarHBondContact O-N 3.32Å; K438-W446 HydrophobicContact CD-CZ2 4.42Å; K438-W446 HydrophobicContact CG-CH2 4.17Å; K438-W446 HydrophobicContact CG-CZ2 3.46Å; K438-W446 VanDerWaalsContact CG-CZ2 3.46Å
439K97Very high94.2Very high98 Ų9837.6 Ų37.643%0.42618%0.179SC..Hα-helixtrans-64.3-31.5175.7-73.6-66.5-174.7177.70113.3H435 Q436 L437 G441 L878 T923H435-K439 WeakPolarHBondContact O-CB 3.44Å; H435-K439 WeakPolarHBondContact O-CG 3.2Å; H435-K439 PolarHBondContact O-N 3.14Å; Q436-K439 PolarHBondContact O-N 3.31Å; L437-K439 VanDerWaalsContact C-N 3.34Å; L437-K439 PolarHBondContact O-N 3.22Å; K439-G441 PolarHBondContact O-N 2.95Å; K439-L878 HydrophobicContact CB-CD2 3.55Å; K439-L878 HydrophobicContact CG-CD2 3.87Å; K439-T923 WeakPolarHBondContact O-CG2 3.32Å; K439-T923 PolarHBondContact O-OG1 3.42Å
440L97.7Very high94.6Very high1 Ų135.7 Ų35.71%0.00517%0.171CC..THydrogen-bonded Turntrans-70.5-2.6170.5-73.6164.4000113.8A361 N364 Q436 L437 K438 P877 I881 T923 L926 R927A361-L440 HydrophobicContact CB-CD1 4.16Å; A361-L440 HydrophobicContact CB-CD2 3.92Å; N364-L440 HydrophobicContact CB-CD1 4.33Å; Q436-L440 WeakPolarHBondContact O-CG 3.13Å; Q436-L440 PolarHBondContact O-N 3.15Å; L437-L440 WeakPolarHBondContact O-CB 3.47Å; L437-L440 PolarHBondContact O-N 3.43Å; K438-L440 VanDerWaalsContact C-N 3.3Å; K438-L440 PolarHBondContact O-N 3.08Å; L440-P877 HydrophobicContact CD1-CB 4.5Å; L440-P877 HydrophobicContact CD1-CG 4.45Å; L440-P877 HydrophobicContact CD2-CB 4.1Å; L440-I881 HydrophobicContact CD2-CD1 4.05Å; L440-I881 HydrophobicContact CG-CD1 4.49Å; L440-T923 VanDerWaalsContact C-CG2 3.46Å; L440-T923 WeakPolarHBondContact O-CG2 3.5Å; L440-L926 HydrophobicContact CD2-CD2 3.84Å; L440-R927 WeakPolarHBondContact O-CD 3.17Å; L440-R927 PolarHBondContact O-NH1 3.18Å
441G97.1Very high95.2Very high0 Ų035.6 Ų35.60%017%0.169CC..THydrogen-bonded Turntrans76.622.1-179.700000114.1R372 L437 K438 K439 S443 R927R372-G441 PolarHBondContact NH2-O 3.06Å; L437-G441 PolarHBondContact O-N 2.97Å; K438-G441 PolarHBondContact O-N 3.32Å; K439-G441 PolarHBondContact O-N 2.95Å; G441-S443 PolarHBondContact O-N 3.23Å; G441-R927 PolarHBondContact O-NH1 3.11Å
442S97.8Very high95.7Very high0 Ų030.2 Ų30.20%014%0.141CC..  trans-60125.1-179.2-49.60000111.9Y316 N364 L437 L444Y316-S442 VanDerWaalsContact CE2-O 3.3Å; Y316-S442 WeakPolarHBondContact CE2-O 3.45Å; Y316-S442 PolarHBondContact OH-O 2.8Å; N364-S442 VanDerWaalsContact CG-OG 3.26Å; N364-S442 PolarHBondContact ND2-OG 2.77Å; N364-S442 PolarHBondContact OD1-OG 3.47Å; L437-S442 VanDerWaalsContact O-CB 3.29Å; L437-S442 WeakPolarHBondContact O-CB 3.26Å; L437-S442 PolarHBondContact O-N 2.84Å; L437-S442 PolarHBondContact O-OG 3.24Å; S442-L444 PolarHBondContact O-N 2.9Å; S442-L444 VanDerWaalsContact O-N 3.14Å
443S98.1Very high95.9Very high0 Ų027.1 Ų27.10%013%0.131CC..  trans-86.947174.767.70000113F325 D368 R375 G441F325-S443 VanDerWaalsContact CE1-CB 3.46Å; D368-S443 WeakPolarHBondContact OD1-CA 3.41Å; D368-S443 WeakPolarHBondContact OD1-CB 3.44Å; D368-S443 PolarHBondContact OD1-N 3.5Å; D368-S443 PolarHBondContact OD1-OG 3.09Å; R375-S443 VanDerWaalsContact NH1-CB 3.33Å; R375-S443 PolarHBondContact NH1-OG 3.25Å; R375-S443 PolarHBondContact NH2-O 2.75Å; R375-S443 VanDerWaalsContact NH2-O 3.09Å; R375-S443 PolarHBondContact NH2-OG 3.32Å; G441-S443 PolarHBondContact O-N 3.23Å
444L97.6Very high96Very high0 Ų029.9 Ų29.90%015%0.146CC..  trans-77147.6177.5-73.8159.6000111.2F325 I347 W383 P385 L437 S442 W446F325-L444 WeakPolarHBondContact CD2-O 3.3Å; I347-L444 HydrophobicContact CD1-CD1 4.36Å; W383-L444 HydrophobicContact CB-CD2 4.31Å; W383-L444 HydrophobicContact CD2-CD2 3.28Å; W383-L444 HydrophobicContact CD2-CG 3.86Å; W383-L444 VanDerWaalsContact CE2-CD2 3.45Å; W383-L444 HydrophobicContact CE3-CD2 3.67Å; W383-L444 HydrophobicContact CE3-CG 3.68Å; W383-L444 HydrophobicContact CG-CD2 3.57Å; W383-L444 HydrophobicContact CH2-CD1 4.47Å; W383-L444 HydrophobicContact CH2-CD2 4.35Å; W383-L444 HydrophobicContact CH2-CG 4.17Å; W383-L444 HydrophobicContact CZ2-CD2 4Å; W383-L444 HydrophobicContact CZ2-CG 4.3Å; W383-L444 HydrophobicContact CZ3-CD2 4.17Å; W383-L444 HydrophobicContact CZ3-CG 3.83Å; W383-L444 WeakPolarHBondContact O-CD2 3.46Å; P385-L444 HydrophobicContact CB-CB 4.18Å; P385-L444 HydrophobicContact CB-CD1 4.16Å; P385-L444 HydrophobicContact CB-CD2 3.9Å; P385-L444 HydrophobicContact CB-CG 4.3Å; P385-L444 HydrophobicContact CG-CB 4.11Å; P385-L444 HydrophobicContact CG-CD2 4.35Å; L437-L444 HydrophobicContact CB-CD1 4.4Å; L437-L444 HydrophobicContact CD1-CD1 4.1Å; S442-L444 PolarHBondContact O-N 2.9Å; S442-L444 VanDerWaalsContact O-N 3.14Å; L444-W446 HydrophobicContact CB-CD2 4.3Å; L444-W446 HydrophobicContact CB-CH2 4.1Å; L444-W446 HydrophobicContact CB-CZ2 3.85Å; L444-W446 HydrophobicContact CB-CZ3 4.42Å; L444-W446 HydrophobicContact CD1-CH2 3.42Å; L444-W446 VanDerWaalsContact CD1-CH2 3.42Å; L444-W446 HydrophobicContact CD1-CZ2 3.83Å; L444-W446 HydrophobicContact CD1-CZ3 4.02Å; L444-W446 HydrophobicContact CG-CH2 4.39Å; L444-W446 HydrophobicContact CG-CZ2 4.44Å; L444-W446 PolarHBondContact O-N 3.01Å
445D97.3Very high96Very high2 Ų235.4 Ų35.41%0.01117%0.173CC..  trans-85.593.6171.1-176.28000111.4L382 W383 P385 D447 R448L382-D445 HydrophobicContact CD1-CB 4.03Å; W383-D445 PolarHBondContact O-N 2.85Å; P385-D445 WeakPolarHBondContact CD-O 3.2Å; P385-D445 WeakPolarHBondContact CG-O 3.29Å; D445-D447 PolarHBondContact O-N 3.46Å; D445-D447 PolarHBondContact OD1-N 3.47Å; D445-R448 PolarHBondContact O-N 3.07Å; D445-R448 VanDerWaalsContact O-N 3.1Å; D445-R448 WeakPolarHBondContact OD2-CD 3.37Å; D445-R448 IonicContact OD2-CZ 2.69Å; D445-R448 IonicContact OD2-NE 3.13Å; D445-R448 IonicContact OD2-NH1 3.55Å; D445-R448 PolarHBondContact OD2-NH1 3.15Å
446W95.8Very high96Very high30 Ų3035.8 Ų35.811%0.11417%0.173CC..G310 helixtrans-65.5-20.5-175.6-58.2111.5000114.4Y316 P385 Y434 L437 K438 L444 R448 A449Y316-W446 AromaticContact CE1-NE1 3.99Å; Y316-W446 AromaticContact CZ-NE1 3.79Å; Y316-W446 VanDerWaalsContact OH-CE2 3.31Å; Y316-W446 VanDerWaalsContact OH-CZ2 3.32Å; Y316-W446 WeakPolarHBondContact OH-CZ2 3.32Å; Y316-W446 PolarHBondContact OH-NE1 3.37Å; P385-W446 HydrophobicContact CB-CE3 4.08Å; P385-W446 HydrophobicContact CB-CZ3 3.94Å; P385-W446 HydrophobicContact CG-CE3 4.06Å; P385-W446 HydrophobicContact CG-CZ3 4.42Å; Y434-W446 AromaticContact CD1-CZ3 3.79Å; Y434-W446 HydrophobicContact CD1-CZ3 3.79Å; Y434-W446 HydrophobicContact CE1-CZ3 4.37Å; Y434-W446 AromaticContact CG-CZ3 3.97Å; Y434-W446 HydrophobicContact CG-CZ3 3.97Å; L437-W446 HydrophobicContact CB-CH2 3.77Å; L437-W446 HydrophobicContact CB-CZ2 4.39Å; L437-W446 HydrophobicContact CD1-CH2 4.17Å; K438-W446 HydrophobicContact CD-CZ2 4.42Å; K438-W446 HydrophobicContact CG-CH2 4.17Å; K438-W446 HydrophobicContact CG-CZ2 3.46Å; K438-W446 VanDerWaalsContact CG-CZ2 3.46Å; L444-W446 HydrophobicContact CB-CD2 4.3Å; L444-W446 HydrophobicContact CB-CH2 4.1Å; L444-W446 HydrophobicContact CB-CZ2 3.85Å; L444-W446 HydrophobicContact CB-CZ3 4.42Å; L444-W446 HydrophobicContact CD1-CH2 3.42Å; L444-W446 VanDerWaalsContact CD1-CH2 3.42Å; L444-W446 HydrophobicContact CD1-CZ2 3.83Å; L444-W446 HydrophobicContact CD1-CZ3 4.02Å; L444-W446 HydrophobicContact CG-CH2 4.39Å; L444-W446 HydrophobicContact CG-CZ2 4.44Å; L444-W446 PolarHBondContact O-N 3.01Å; W446-R448 PolarHBondContact O-N 3.34Å; W446-A449 VanDerWaalsContact O-CB 3.3Å; W446-A449 WeakPolarHBondContact O-CB 3.47Å; W446-A449 PolarHBondContact O-N 3.16Å
447D95.3Very high96.1Very high119 Ų11935.9 Ų35.964%0.63617%0.174SC*.G310 helixtrans-65.1-26.2174.8-71.718.9000111.4K326 D445K326-D447 WeakPolarHBondContact CE-OD2 3.3Å; K326-D447 IonicContact NZ-OD1 3.9Å; K326-D447 PolarHBondContact NZ-OD1 2.86Å; K326-D447 IonicContact NZ-OD2 2.66Å; K326-D447 PolarHBondContact NZ-OD2 2.79Å; D445-D447 PolarHBondContact O-N 3.46Å; D445-D447 PolarHBondContact OD1-N 3.47Å
448R95.5Very high96.1Very high42 Ų4237 Ų3716%0.15818%0.183CC..G310 helixtrans-100.813.5179.4-63.5180164.990.3-5113.3E328 N384 D445 W446 C450 D813E328-R448 IonicContact OE1-CZ 2.68Å; E328-R448 IonicContact OE1-NH1 2.73Å; E328-R448 PolarHBondContact OE1-NH1 3.48Å; E328-R448 IonicContact OE1-NH2 2.71Å; E328-R448 PolarHBondContact OE1-NH2 3.35Å; E328-R448 IonicContact OE2-NH1 3.42Å; E328-R448 PolarHBondContact OE2-NH1 2.82Å; N384-R448 PolarHBondContact ND2-O 3.05Å; N384-R448 VanDerWaalsContact OD1-CB 3.3Å; N384-R448 WeakPolarHBondContact OD1-CB 3.2Å; D445-R448 PolarHBondContact O-N 3.07Å; D445-R448 VanDerWaalsContact O-N 3.1Å; D445-R448 WeakPolarHBondContact OD2-CD 3.37Å; D445-R448 IonicContact OD2-CZ 2.69Å; D445-R448 IonicContact OD2-NE 3.13Å; D445-R448 IonicContact OD2-NH1 3.55Å; D445-R448 PolarHBondContact OD2-NH1 3.15Å; W446-R448 PolarHBondContact O-N 3.34Å; R448-C450 PolarHBondContact O-N 2.82Å; R448-D813 IonicContact CZ-OD1 2.75Å; R448-D813 IonicContact CZ-OD2 3.63Å; R448-D813 IonicContact NE-OD1 2.91Å; R448-D813 IonicContact NE-OD2 2.76Å; R448-D813 PolarHBondContact NE-OD2 3.29Å; R448-D813 IonicContact NH2-OD1 3.26Å; R448-D813 PolarHBondContact NH2-OD1 3.27Å; R448-D813 IonicContact NH2-OD2 2.79Å
449A95.2Very high96.1Very high37 Ų3737.8 Ų37.831%0.30618%0.184SC..  trans-61.6131.3175.800000110.9P385 Y434 W446P385-A449 HydrophobicContact CB-CB 4.29Å; P385-A449 HydrophobicContact CG-CB 3.9Å; Y434-A449 HydrophobicContact CE2-CB 4.37Å; W446-A449 VanDerWaalsContact O-CB 3.3Å; W446-A449 WeakPolarHBondContact O-CB 3.47Å; W446-A449 PolarHBondContact O-N 3.16Å
450C93.5Very high96.1Very high6 Ų633.1 Ų33.14%0.04116%0.164CC..EExtended strand (participates in β ladder)trans-131.7157.9-176.560.40000111.7P385 G386 C387 Y434 R448 L457 I804P385-C450 PolarHBondContact O-N 3.03Å; P385-C450 PolarHBondContact O-SG 3.02Å; P385-C450 VanDerWaalsContact O-SG 3.34Å; G386-C450 CarbonylContact C-O 3.56Å; G386-C450 WeakPolarHBondContact CA-O 3.47Å; C387-C450 PolarHBondContact N-O 3.33Å; Y434-C450 PolarHBondContact OH-O 3.35Å; R448-C450 PolarHBondContact O-N 2.82Å; C450-L457 HydrophobicContact CB-CD1 4.2Å; C450-L457 HydrophobicContact CB-CD2 4.36Å; C450-I804 WeakPolarHBondContact SG-CG2 3.4Å
451F95.1Very high96.1Very high3 Ų333.2 Ų33.21%0.01317%0.165CC..EExtended strand (participates in β ladder)trans-122.2139170.7175.9-118.7000108.7V352 C387 H389 W423 K426 M453 D454 W731V352-F451 HydrophobicContact CG1-CE2 4.1Å; V352-F451 HydrophobicContact CG2-CE2 4.17Å; C387-F451 HydrophobicContact CB-CD2 4.09Å; C387-F451 WeakPolarHBondContact O-CA 3.21Å; C387-F451 WeakPolarHBondContact O-CD2 3.4Å; H389-F451 VanDerWaalsContact CA-CE2 3.46Å; H389-F451 HydrophobicContact CB-CE1 4.32Å; H389-F451 HydrophobicContact CB-CE2 3.81Å; H389-F451 HydrophobicContact CB-CZ 3.44Å; H389-F451 VanDerWaalsContact CB-CZ 3.44Å; H389-F451 VanDerWaalsContact N-CE2 3.33Å; W423-F451 HydrophobicContact CH2-CD1 4.08Å; W423-F451 AromaticContact CH2-CE1 3.75Å; W423-F451 HydrophobicContact CH2-CE1 3.75Å; W423-F451 HydrophobicContact CZ3-CD1 4.14Å; W423-F451 AromaticContact CZ3-CE1 3.82Å; W423-F451 HydrophobicContact CZ3-CE1 3.82Å; K426-F451 HydrophobicContact CD-CE1 4.28Å; K426-F451 HydrophobicContact CD-CZ 4.33Å; K426-F451 HydrophobicContact CG-CE1 4.07Å; K426-F451 HydrophobicContact CG-CE2 3.95Å; K426-F451 HydrophobicContact CG-CZ 3.68Å; F451-M453 HydrophobicContact CD1-CB 4Å; F451-M453 HydrophobicContact CE1-CB 3.67Å; F451-M453 HydrophobicContact CE1-CG 4.24Å; F451-M453 HydrophobicContact CZ-CB 4.47Å; F451-M453 PolarHBondContact O-N 3.48Å; F451-D454 PolarHBondContact N-OD2 3.21Å; F451-D454 VanDerWaalsContact O-CB 3.3Å; F451-D454 WeakPolarHBondContact O-CB 3.45Å; F451-D454 VanDerWaalsContact O-CG 3.32Å; F451-D454 PolarHBondContact O-N 2.81Å; F451-W731 HydrophobicContact CE1-CZ2 4.36Å; F451-W731 HydrophobicContact CZ-CZ2 4.03Å
452T95.3Very high96.1Very high2 Ų235.5 Ų35.51%0.01218%0.175CC..THydrogen-bonded Turntrans-56.1-25-172.851.80000114.2C387 D388 H389 L457 H733 F800C387-T452 PolarHBondContact O-N 2.7Å; C387-T452 VanDerWaalsContact O-N 3.15Å; D388-T452 HydrophobicContact CB-CG2 4.18Å; D388-T452 PolarHBondContact OD1-OG1 2.71Å; H389-T452 WeakPolarHBondContact CB-OG1 3.47Å; H389-T452 PolarHBondContact N-OG1 2.62Å; H389-T452 PolarHBondContact ND1-OG1 3.06Å; T452-L457 WeakPolarHBondContact O-CB 3.42Å; T452-H733 PolarHBondContact O-CE1 3.31Å; T452-H733 PolarHBondContact O-NE2 3.32Å; T452-F800 HydrophobicContact CG2-CD2 4.3Å; T452-F800 HydrophobicContact CG2-CE2 4.38Å
453M95Very high96.1Very high28 Ų2835.9 Ų35.914%0.13818%0.177CC..THydrogen-bonded Turntrans-100.69176-60.9179.166.100114.7H389 W423 F451 S458 W731 G732H389-M453 HydrophobicContact CB-CG 3.79Å; H389-M453 HydrophobicContact CB-SD 3.6Å; W423-M453 HydrophobicContact CH2-CB 4.5Å; F451-M453 HydrophobicContact CD1-CB 4Å; F451-M453 HydrophobicContact CE1-CB 3.67Å; F451-M453 HydrophobicContact CE1-CG 4.24Å; F451-M453 HydrophobicContact CZ-CB 4.47Å; F451-M453 PolarHBondContact O-N 3.48Å; M453-S458 WeakPolarHBondContact CA-OG 3.48Å; M453-S458 PolarHBondContact O-OG 3.4Å; M453-W731 HydrophobicContact CE-CH2 4.4Å; M453-W731 HydrophobicContact CE-CZ3 4.37Å; M453-W731 HydrophobicContact SD-CD2 4.25Å; M453-W731 HydrophobicContact SD-CH2 4.03Å; M453-W731 HydrophobicContact SD-CZ2 3.68Å; M453-W731 HydrophobicContact SD-CZ3 4.45Å; M453-G732 WeakPolarHBondContact CE-O 3.08Å
454D94.7Very high96.1Very high59 Ų5935.9 Ų35.932%0.31618%0.177SC..SBendtrans-57.1149.6169.3-72.7-20.1000110.3F451 K456 L457 S458F451-D454 PolarHBondContact N-OD2 3.21Å; F451-D454 VanDerWaalsContact O-CB 3.3Å; F451-D454 WeakPolarHBondContact O-CB 3.45Å; F451-D454 VanDerWaalsContact O-CG 3.32Å; F451-D454 PolarHBondContact O-N 2.81Å; D454-K456 PolarHBondContact O-N 3.07Å; D454-K456 VanDerWaalsContact O-N 3.08Å; D454-L457 HydrophobicContact CB-CD1 4.49Å; D454-L457 PolarHBondContact O-N 2.88Å; D454-S458 WeakPolarHBondContact O-CB 3.27Å; D454-S458 PolarHBondContact O-N 3.36Å; D454-S458 PolarHBondContact O-OG 3Å
455Q94.6Very high96.2Very high162 Ų16235.9 Ų35.976%0.75718%0.177SC*.Hα-helixtrans-50.3-43-174.2-172.264.32000112.9Y459Q455-Y459 WeakPolarHBondContact O-CB 3.35Å; Q455-Y459 PolarHBondContact O-N 3.39Å
456K94.9Very high96.2Very high102 Ų10235.9 Ų35.944%0.44318%0.177SC..Hα-helixtrans-61.1-45178.3-176.5179.676.3-177.80112.6D454 A460 I804D454-K456 PolarHBondContact O-N 3.07Å; D454-K456 VanDerWaalsContact O-N 3.08Å; K456-A460 PolarHBondContact O-N 3.06Å; K456-I804 WeakPolarHBondContact CE-O 3.39Å; K456-I804 PolarHBondContact NZ-O 3.29Å
457L96.4Very high96.3Very high2 Ų238.6 Ų38.61%0.0119%0.187CC..Hα-helixtrans-78.4-36.4-178.5-79.171.8000111C450 T452 D454 Y459 A460 V461 F800 I804C450-L457 HydrophobicContact CB-CD1 4.2Å; C450-L457 HydrophobicContact CB-CD2 4.36Å; T452-L457 WeakPolarHBondContact O-CB 3.42Å; D454-L457 HydrophobicContact CB-CD1 4.49Å; D454-L457 PolarHBondContact O-N 2.88Å; L457-Y459 VanDerWaalsContact C-N 3.29Å; L457-Y459 PolarHBondContact O-N 3.32Å; L457-A460 VanDerWaalsContact O-CB 3.26Å; L457-A460 WeakPolarHBondContact O-CB 3.46Å; L457-A460 PolarHBondContact O-N 2.95Å; L457-A460 VanDerWaalsContact O-N 3.14Å; L457-V461 WeakPolarHBondContact O-CG2 3.29Å; L457-V461 PolarHBondContact O-N 3.2Å; L457-F800 HydrophobicContact CD2-CD2 4.32Å; L457-F800 HydrophobicContact CD2-CE2 4.26Å; L457-I804 HydrophobicContact CD2-CG2 4.32Å
458S96.8Very high96.5Very high29 Ų2933 Ų3320%0.20316%0.157CC..Hα-helixtrans-60.4-38.9172.9-700000112.1M453 D454 V461 Q462 H733M453-S458 WeakPolarHBondContact CA-OG 3.48Å; M453-S458 PolarHBondContact O-OG 3.4Å; D454-S458 WeakPolarHBondContact O-CB 3.27Å; D454-S458 PolarHBondContact O-N 3.36Å; D454-S458 PolarHBondContact O-OG 3Å; S458-V461 PolarHBondContact O-N 2.93Å; S458-Q462 WeakPolarHBondContact O-CB 3.36Å; S458-Q462 PolarHBondContact O-N 3.21Å; S458-H733 PolarHBondContact OG-CE1 3.46Å; S458-H733 PolarHBondContact OG-ND1 2.9Å
459Y97Very high96.6Very high72 Ų7232 Ų3228%0.28215%0.154SC..Hα-helixtrans-63.6-42.7172.6-178.8-109000112.1Q455 L457 V461 Q462 E463 P808Q455-Y459 WeakPolarHBondContact O-CB 3.35Å; Q455-Y459 PolarHBondContact O-N 3.39Å; L457-Y459 VanDerWaalsContact C-N 3.29Å; L457-Y459 PolarHBondContact O-N 3.32Å; Y459-V461 VanDerWaalsContact C-N 3.33Å; Y459-V461 PolarHBondContact O-N 3.47Å; Y459-Q462 PolarHBondContact O-N 2.85Å; Y459-E463 PolarHBondContact O-N 3.45Å; Y459-P808 HydrophobicContact CD1-CG 4.32Å; Y459-P808 HydrophobicContact CE1-CG 3.64Å
460A97.8Very high96.6Very high0 Ų034.2 Ų34.20%016%0.161CC..Hα-helixtrans-57.3-45.9173.500000111.9K456 L457 Q462 E463 A464 I799 W807K456-A460 PolarHBondContact O-N 3.06Å; L457-A460 VanDerWaalsContact O-CB 3.26Å; L457-A460 WeakPolarHBondContact O-CB 3.46Å; L457-A460 PolarHBondContact O-N 2.95Å; L457-A460 VanDerWaalsContact O-N 3.14Å; A460-Q462 PolarHBondContact O-N 2.86Å; A460-E463 PolarHBondContact O-N 3.44Å; A460-A464 WeakPolarHBondContact O-CB 3.49Å; A460-A464 PolarHBondContact O-N 2.97Å; A460-I799 HydrophobicContact CB-CD1 3.84Å; A460-W807 WeakPolarHBondContact CA-O 3.41Å; A460-W807 HydrophobicContact CB-CE3 4.06Å; A460-W807 WeakPolarHBondContact CB-O 3.37Å; A460-W807 WeakPolarHBondContact O-CZ3 3.45Å
461V97.9Very high96.7Very high3 Ų339 Ų392%0.01818%0.183CC..Hα-helixtrans-62-45178.2172.10000111.5L457 S458 Y459 A464 F465 H733 L791 F795 I799L457-V461 WeakPolarHBondContact O-CG2 3.29Å; L457-V461 PolarHBondContact O-N 3.2Å; S458-V461 PolarHBondContact O-N 2.93Å; Y459-V461 VanDerWaalsContact C-N 3.33Å; Y459-V461 PolarHBondContact O-N 3.47Å; V461-A464 PolarHBondContact O-N 2.67Å; V461-F465 PolarHBondContact O-N 2.65Å; V461-H733 HydrophobicContact CG1-CB 3.95Å; V461-L791 HydrophobicContact CG1-CD1 3.49Å; V461-L791 VanDerWaalsContact CG1-CD1 3.49Å; V461-F795 HydrophobicContact CG1-CD1 3.98Å; V461-F795 HydrophobicContact CG1-CE1 4.12Å; V461-I799 HydrophobicContact CB-CD1 4.39Å; V461-I799 HydrophobicContact CG2-CD1 3.76Å; V461-I799 HydrophobicContact CG2-CG1 4.4Å
462Q97.4Very high96.6Very high48 Ų4841.4 Ų41.422%0.22421%0.208CC..Hα-helixtrans-59.8-47.1176.9-179.5176.447.400111.2S458 Y459 A460 F465 I466 P736 R762S458-Q462 WeakPolarHBondContact O-CB 3.36Å; S458-Q462 PolarHBondContact O-N 3.21Å; Y459-Q462 PolarHBondContact O-N 2.85Å; A460-Q462 PolarHBondContact O-N 2.86Å; Q462-F465 PolarHBondContact O-N 3.01Å; Q462-I466 HydrophobicContact CG-CD1 3.71Å; Q462-I466 WeakPolarHBondContact O-CD1 3.35Å; Q462-I466 VanDerWaalsContact O-CG1 3.25Å; Q462-I466 WeakPolarHBondContact O-CG1 3.38Å; Q462-I466 PolarHBondContact O-N 3.23Å; Q462-P736 HydrophobicContact CG-CB 3.84Å; Q462-P736 HydrophobicContact CG-CG 4.05Å; Q462-R762 VanDerWaalsContact NE2-CA 3.33Å; Q462-R762 PolarHBondContact NE2-O 3.18Å
463E97.8Very high96.7Very high8 Ų842.3 Ų42.34%0.03721%0.214CC..Hα-helixtrans-61-45.9177-175.272.8-17600112Y459 A460 F465 I466 R467 R762 W807 P808Y459-E463 PolarHBondContact O-N 3.45Å; A460-E463 PolarHBondContact O-N 3.44Å; E463-F465 VanDerWaalsContact C-N 3.31Å; E463-F465 PolarHBondContact O-N 2.87Å; E463-I466 PolarHBondContact O-N 3.39Å; E463-R467 HydrophobicContact CG-CG 4.32Å; E463-R467 WeakPolarHBondContact O-CG 3.28Å; E463-R467 PolarHBondContact O-N 3.27Å; E463-R467 IonicContact OE1-CZ 3.26Å; E463-R467 VanDerWaalsContact OE1-CZ 3.26Å; E463-R467 IonicContact OE1-NE 3.49Å; E463-R467 PolarHBondContact OE1-NE 3.07Å; E463-R467 IonicContact OE1-NH2 2.74Å; E463-R467 PolarHBondContact OE1-NH2 3.26Å; E463-R762 IonicContact OE1-NH2 3.91Å; E463-R762 PolarHBondContact OE1-NH2 2.82Å; E463-R762 IonicContact OE2-CZ 2.88Å; E463-R762 IonicContact OE2-NE 3.93Å; E463-R762 PolarHBondContact OE2-NE 2.97Å; E463-R762 IonicContact OE2-NH2 3.81Å; E463-R762 PolarHBondContact OE2-NH2 3.02Å; E463-W807 HydrophobicContact CB-CH2 4.38Å; E463-W807 HydrophobicContact CB-CZ3 4.21Å; E463-W807 HydrophobicContact CG-CH2 4.03Å; E463-W807 HydrophobicContact CG-CZ3 4.31Å; E463-P808 HydrophobicContact CB-CG 3.99Å; E463-P808 HydrophobicContact CG-CB 3.9Å; E463-P808 HydrophobicContact CG-CG 3.64Å
464A98.3Very high96.8Very high0 Ų041.1 Ų41.10%021%0.208CC..Hα-helixtrans-57.1-45.8178.600000111.5A460 V461 M468 F795 I799 W807 M840 L844A460-A464 WeakPolarHBondContact O-CB 3.49Å; A460-A464 PolarHBondContact O-N 2.97Å; V461-A464 PolarHBondContact O-N 2.67Å; A464-M468 WeakPolarHBondContact O-CB 3.37Å; A464-M468 VanDerWaalsContact O-CG 3.3Å; A464-M468 WeakPolarHBondContact O-CG 3.38Å; A464-M468 PolarHBondContact O-N 3.4Å; A464-M468 VanDerWaalsContact O-N 3.15Å; A464-F795 HydrophobicContact CB-CE1 4.14Å; A464-F795 HydrophobicContact CB-CZ 4.22Å; A464-I799 HydrophobicContact CB-CD1 4.31Å; A464-I799 HydrophobicContact CB-CG2 4.47Å; A464-W807 HydrophobicContact CB-CH2 4.19Å; A464-W807 HydrophobicContact CB-CZ3 4.02Å; A464-M840 HydrophobicContact CB-CE 4.45Å; A464-L844 HydrophobicContact CB-CD1 3.61Å; A464-L844 HydrophobicContact CB-CD2 4.37Å
465F98.5Very high96.8Very high0 Ų041 Ų410%020%0.203CC..Hα-helixtrans-61.6-50.1176.6-174.9-80.6000111.4V461 Q462 E463 R467 M468 H469 I474 W682 I725 I735 P736 A737 L791 F795V461-F465 PolarHBondContact O-N 2.65Å; Q462-F465 PolarHBondContact O-N 3.01Å; E463-F465 VanDerWaalsContact C-N 3.31Å; E463-F465 PolarHBondContact O-N 2.87Å; F465-R467 PolarHBondContact O-N 3.43Å; F465-M468 PolarHBondContact O-N 3.13Å; F465-H469 HydrophobicContact CD1-CB 4.32Å; F465-H469 HydrophobicContact CE1-CB 4.08Å; F465-H469 VanDerWaalsContact O-CB 3.26Å; F465-H469 WeakPolarHBondContact O-CB 3.45Å; F465-H469 PolarHBondContact O-N 2.83Å; F465-I474 HydrophobicContact CD2-CD1 3.71Å; F465-I474 HydrophobicContact CE2-CD1 4.07Å; F465-I474 HydrophobicContact CE2-CG2 3.83Å; F465-I474 HydrophobicContact CG-CD1 4.13Å; F465-I474 HydrophobicContact CZ-CG2 3.86Å; F465-W682 HydrophobicContact CZ-CD2 4.07Å; F465-W682 HydrophobicContact CZ-CE3 4Å; F465-W682 HydrophobicContact CZ-CZ3 4.22Å; F465-I725 HydrophobicContact CD2-CD1 4.09Å; F465-I725 HydrophobicContact CE2-CD1 3.83Å; F465-I735 HydrophobicContact CD2-CG2 4.44Å; F465-I735 HydrophobicContact CE1-CG2 4.03Å; F465-I735 HydrophobicContact CE2-CG2 3.68Å; F465-I735 HydrophobicContact CZ-CG2 3.44Å; F465-I735 VanDerWaalsContact CZ-CG2 3.44Å; F465-P736 HydrophobicContact CB-CG 3.9Å; F465-P736 HydrophobicContact CD1-CG 3.56Å; F465-P736 HydrophobicContact CE1-CG 4.33Å; F465-P736 HydrophobicContact CG-CG 3.84Å; F465-A737 HydrophobicContact CE1-CB 4.01Å; F465-A737 HydrophobicContact CZ-CB 4.19Å; F465-L791 HydrophobicContact CD2-CD1 4.38Å; F465-L791 HydrophobicContact CD2-CD2 3.74Å; F465-L791 HydrophobicContact CE2-CD2 4.01Å; F465-F795 HydrophobicContact CB-CE1 4.26Å; F465-F795 HydrophobicContact CB-CZ 4.2Å
466I98.3Very high96.7Very high1 Ų134.7 Ų34.71%0.00517%0.173CC..Hα-helixtrans-61.2-47.3-175.9-68.1164.4000110.9Q462 E463 H469 D470 P736 R762Q462-I466 HydrophobicContact CG-CD1 3.71Å; Q462-I466 WeakPolarHBondContact O-CD1 3.35Å; Q462-I466 VanDerWaalsContact O-CG1 3.25Å; Q462-I466 WeakPolarHBondContact O-CG1 3.38Å; Q462-I466 PolarHBondContact O-N 3.23Å; E463-I466 PolarHBondContact O-N 3.39Å; I466-H469 PolarHBondContact O-N 3.22Å; I466-D470 WeakPolarHBondContact O-CB 3.46Å; I466-D470 PolarHBondContact O-N 3.11Å; I466-P736 HydrophobicContact CG1-CG 4.29Å; I466-R762 HydrophobicContact CD1-CB 4.34Å; I466-R762 HydrophobicContact CD1-CG 3.52Å
467R97.8Very high96.4Very high87 Ų8731.1 Ų31.133%0.32816%0.16SC..Hα-helixtrans-60.4-48.7178.6-70.3-174.5-172.7-168.23.9111.7E463 F465 H469 D470 E471 L844E463-R467 HydrophobicContact CG-CG 4.32Å; E463-R467 WeakPolarHBondContact O-CG 3.28Å; E463-R467 PolarHBondContact O-N 3.27Å; E463-R467 IonicContact OE1-CZ 3.26Å; E463-R467 VanDerWaalsContact OE1-CZ 3.26Å; E463-R467 IonicContact OE1-NE 3.49Å; E463-R467 PolarHBondContact OE1-NE 3.07Å; E463-R467 IonicContact OE1-NH2 2.74Å; E463-R467 PolarHBondContact OE1-NH2 3.26Å; F465-R467 PolarHBondContact O-N 3.43Å; R467-H469 VanDerWaalsContact C-N 3.31Å; R467-H469 PolarHBondContact O-N 2.99Å; R467-D470 PolarHBondContact O-N 3.32Å; R467-E471 WeakPolarHBondContact O-CB 3.39Å; R467-E471 VanDerWaalsContact O-CG 3.27Å; R467-E471 WeakPolarHBondContact O-CG 3.21Å; R467-E471 PolarHBondContact O-N 2.93Å; R467-L844 HydrophobicContact CB-CD2 4.47Å
468M98Very high96Very high1 Ų135.8 Ų35.81%0.00518%0.18CC..Hα-helixtrans-69-30.2-178-67.2-179.272.800112.5A464 F465 G472 V473 I474 V684 M689 M840 K843 L844A464-M468 WeakPolarHBondContact O-CB 3.37Å; A464-M468 VanDerWaalsContact O-CG 3.3Å; A464-M468 WeakPolarHBondContact O-CG 3.38Å; A464-M468 PolarHBondContact O-N 3.4Å; A464-M468 VanDerWaalsContact O-N 3.15Å; F465-M468 PolarHBondContact O-N 3.13Å; M468-G472 PolarHBondContact O-N 2.99Å; M468-V473 HydrophobicContact CB-CB 4.32Å; M468-V473 HydrophobicContact CE-CB 4.38Å; M468-V473 HydrophobicContact CE-CG1 3.58Å; M468-V473 WeakPolarHBondContact O-CA 3.37Å; M468-V473 WeakPolarHBondContact O-CB 3.41Å; M468-V473 PolarHBondContact O-N 3.32Å; M468-I474 HydrophobicContact CB-CB 4.48Å; M468-I474 HydrophobicContact CB-CD1 3.65Å; M468-I474 HydrophobicContact CB-CG1 3.8Å; M468-I474 PolarHBondContact O-N 3.47Å; M468-V684 HydrophobicContact CE-CG1 3.81Å; M468-M689 HydrophobicContact CE-CE 3.86Å; M468-M689 HydrophobicContact CE-SD 3.75Å; M468-M840 HydrophobicContact SD-CE 4.27Å; M468-K843 HydrophobicContact CE-CG 4.12Å; M468-K843 HydrophobicContact CG-CG 4.45Å; M468-K843 HydrophobicContact SD-CG 4.43Å; M468-L844 HydrophobicContact CG-CD2 3.92Å; M468-L844 HydrophobicContact SD-CD2 4.2Å; M468-L844 HydrophobicContact SD-CG 4.48Å
469H97.4Very high95.5Very high22 Ų2238.3 Ų38.310%0.10219%0.185CC..Hα-helixtrans-73-45.3173.6178.3-114.5000112F465 I466 R467 E471 G472 I474 W682 W758 S760F465-H469 HydrophobicContact CD1-CB 4.32Å; F465-H469 HydrophobicContact CE1-CB 4.08Å; F465-H469 VanDerWaalsContact O-CB 3.26Å; F465-H469 WeakPolarHBondContact O-CB 3.45Å; F465-H469 PolarHBondContact O-N 2.83Å; I466-H469 PolarHBondContact O-N 3.22Å; R467-H469 VanDerWaalsContact C-N 3.31Å; R467-H469 PolarHBondContact O-N 2.99Å; H469-E471 PolarHBondContact O-N 2.71Å; H469-G472 PolarHBondContact O-N 3.18Å; H469-I474 HydrophobicContact CB-CB 4.14Å; H469-I474 HydrophobicContact CB-CG2 4.32Å; H469-I474 PolarHBondContact CD2-O 3.44Å; H469-W682 AromaticContact CD2-CZ3 3.59Å; H469-W682 AromaticContact NE2-CH2 3.78Å; H469-W682 AromaticContact NE2-CZ3 3.66Å; H469-W758 PolarHBondContact CE1-O 2.75Å; H469-S760 WeakPolarHBondContact ND1-CB 3.31Å; H469-S760 PolarHBondContact ND1-OG 3.31Å
470D95.3Very high95.1Very high83 Ų8335.6 Ų35.644%0.44418%0.176SC..Hα-helixtrans-62.7-28.4177.3-73.6-14.4000111.6I466 R467 K770I466-D470 WeakPolarHBondContact O-CB 3.46Å; I466-D470 PolarHBondContact O-N 3.11Å; R467-D470 PolarHBondContact O-N 3.32Å; D470-K770 IonicContact OD1-NZ 2.56Å; D470-K770 IonicContact OD2-NZ 3.6Å; D470-K770 PolarHBondContact OD2-NZ 3.35Å
471E95.7Very high94.7Very high108 Ų10836 Ų3651%0.50518%0.178SC..THydrogen-bonded Turntrans-83.4-3.4173-69.9174.1-155.100114.6R467 H469 V473 K843R467-E471 WeakPolarHBondContact O-CB 3.39Å; R467-E471 VanDerWaalsContact O-CG 3.27Å; R467-E471 WeakPolarHBondContact O-CG 3.21Å; R467-E471 PolarHBondContact O-N 2.93Å; H469-E471 PolarHBondContact O-N 2.71Å; E471-V473 VanDerWaalsContact C-N 3.26Å; E471-V473 HydrophobicContact CB-CG2 4.3Å; E471-V473 PolarHBondContact O-N 2.54Å; E471-K843 WeakPolarHBondContact OE2-CE 3.47Å; E471-K843 IonicContact OE2-NZ 3.13Å; E471-K843 PolarHBondContact OE2-NZ 3.09Å
472G94.6Very high94.3Very high52 Ų5236.7 Ų36.754%0.53618%0.182SC..THydrogen-bonded Turntrans73.99.4-178.100000115.2M468 H469M468-G472 PolarHBondContact O-N 2.99Å; H469-G472 PolarHBondContact O-N 3.18Å
473V96.6Very high94.1Very high22 Ų2234.5 Ų34.513%0.13317%0.171CC..SBendtrans-76-37.4175178.80000111.1M468 E471 V684 S685 M689M468-V473 HydrophobicContact CB-CB 4.32Å; M468-V473 HydrophobicContact CE-CB 4.38Å; M468-V473 HydrophobicContact CE-CG1 3.58Å; M468-V473 WeakPolarHBondContact O-CA 3.37Å; M468-V473 WeakPolarHBondContact O-CB 3.41Å; M468-V473 PolarHBondContact O-N 3.32Å; E471-V473 VanDerWaalsContact C-N 3.26Å; E471-V473 HydrophobicContact CB-CG2 4.3Å; E471-V473 PolarHBondContact O-N 2.54Å; V473-V684 HydrophobicContact CG1-CG1 4.17Å; V473-S685 PolarHBondContact O-N 2.77Å; V473-M689 HydrophobicContact CG1-SD 4.08Å
474I97.4Very high93.8Very high2 Ų234.1 Ų34.11%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-90.8130.2166.7-71.2172.3000108.7F465 M468 H469 W682 Y683 V684 I725 F795F465-I474 HydrophobicContact CD2-CD1 3.71Å; F465-I474 HydrophobicContact CE2-CD1 4.07Å; F465-I474 HydrophobicContact CE2-CG2 3.83Å; F465-I474 HydrophobicContact CG-CD1 4.13Å; F465-I474 HydrophobicContact CZ-CG2 3.86Å; M468-I474 HydrophobicContact CB-CB 4.48Å; M468-I474 HydrophobicContact CB-CD1 3.65Å; M468-I474 HydrophobicContact CB-CG1 3.8Å; M468-I474 PolarHBondContact O-N 3.47Å; H469-I474 HydrophobicContact CB-CB 4.14Å; H469-I474 HydrophobicContact CB-CG2 4.32Å; H469-I474 PolarHBondContact CD2-O 3.44Å; I474-W682 HydrophobicContact CG2-CE3 3.6Å; I474-W682 HydrophobicContact CG2-CZ3 4.09Å; I474-Y683 VanDerWaalsContact CA-O 3.27Å; I474-Y683 WeakPolarHBondContact CA-O 3.49Å; I474-V684 HydrophobicContact CD1-CG2 4.34Å; I474-V684 HydrophobicContact CG1-CG2 3.79Å; I474-I725 HydrophobicContact CD1-CD1 3.81Å; I474-I725 HydrophobicContact CG1-CD1 4.05Å; I474-I725 HydrophobicContact CG2-CD1 4.09Å; I474-F795 HydrophobicContact CD1-CE2 4.01Å; I474-F795 HydrophobicContact CD1-CZ 4.07Å
475Y94.7Very high93.5Very high58 Ų5834.9 Ų34.923%0.22718%0.175CC..EExtended strand (participates in β ladder)trans-144.5163.2-179.969.2-84.3000111.4R479 W682 Y683 D722Y475-R479 VanDerWaalsContact OH-CZ 3.31Å; Y475-R479 PolarHBondContact OH-NH1 3.34Å; Y475-R479 PolarHBondContact OH-NH2 3.3Å; Y475-W682 WeakPolarHBondContact O-CA 3.48Å; Y475-Y683 PolarHBondContact N-O 2.76Å; Y475-Y683 PolarHBondContact O-N 3.02Å; Y475-D722 PolarHBondContact OH-OD2 3.33Å
476R92.5Very high93Very high29 Ų2938.1 Ų38.111%0.10920%0.195CC..EExtended strand (participates in β ladder)trans-103.8132.4177.9-164.2175.1-178.388.8-5.1110.1Q681 W682 D752 W758 D787R476-Q681 WeakPolarHBondContact CA-O 3.43Å; R476-W682 HydrophobicContact CB-CD2 4.45Å; R476-W682 HydrophobicContact CB-CE3 4.18Å; R476-W682 HydrophobicContact CB-CH2 4.43Å; R476-W682 HydrophobicContact CB-CZ3 4.18Å; R476-D752 VanDerWaalsContact CD-O 3.3Å; R476-D752 WeakPolarHBondContact CD-O 3.41Å; R476-D752 IonicContact CZ-OD2 3.73Å; R476-D752 VanDerWaalsContact CZ-OD2 3.26Å; R476-D752 PolarHBondContact NE-O 2.91Å; R476-D752 IonicContact NE-OD2 2.93Å; R476-D752 PolarHBondContact NE-OD2 2.84Å; R476-D752 IonicContact NH2-OD1 2.74Å; R476-D752 IonicContact NH2-OD2 3.9Å; R476-D752 PolarHBondContact NH2-OD2 3.09Å; R476-W758 VanDerWaalsContact CD-NE1 3.29Å; R476-D787 IonicContact CZ-OD2 3.55Å; R476-D787 IonicContact NH1-OD2 3.11Å; R476-D787 PolarHBondContact NH1-OD2 3.17Å; R476-D787 IonicContact NH2-OD2 3.04Å
477S89Confident92.3Very high26 Ų2638.8 Ų38.818%0.18220%0.198CC..EExtended strand (participates in β ladder)trans-148.3151.7-179.1-176.40000112Q681S477-Q681 PolarHBondContact N-O 3.01Å; S477-Q681 PolarHBondContact O-N 2.95Å
478K87.6Confident91.8Very high100 Ų10036.1 Ų36.144%0.43519%0.191SC..EExtended strand (participates in β ladder)trans-99.9104.7178.9-167.3174.5-173.7-177.80108.2Y605 L678 K679 M753K478-Y605 PolarHBondContact O-OH 3.47Å; K478-L678 HydrophobicContact CD-CD2 4.07Å; K478-L678 HydrophobicContact CD-CG 4.08Å; K478-L678 HydrophobicContact CG-CD1 3.98Å; K478-L678 HydrophobicContact CG-CD2 4.24Å; K478-L678 HydrophobicContact CG-CG 3.74Å; K478-K679 WeakPolarHBondContact CA-O 3.29Å; K478-M753 HydrophobicContact CB-CE 3.53Å; K478-M753 HydrophobicContact CB-CG 4.45Å; K478-M753 HydrophobicContact CB-SD 3.64Å; K478-M753 HydrophobicContact CD-SD 4.34Å; K478-M753 HydrophobicContact CG-SD 4.31Å
479R85.9Confident91.2Very high82 Ų8236.1 Ų36.131%0.30919%0.191SC..EExtended strand (participates in β ladder)trans-132.3166.9-179.2-62.8-176.4175.9167.12.7110.1Y475 V481 K679 D722Y475-R479 VanDerWaalsContact OH-CZ 3.31Å; Y475-R479 PolarHBondContact OH-NH1 3.34Å; Y475-R479 PolarHBondContact OH-NH2 3.3Å; R479-V481 PolarHBondContact O-N 3.48Å; R479-K679 PolarHBondContact N-O 3.47Å; R479-K679 PolarHBondContact O-N 3.49Å; R479-D722 IonicContact NH1-OD2 3.5Å
480L88.6Confident90.7Very high16 Ų1635.1 Ų35.18%0.08419%0.186CC..EExtended strand (participates in β ladder)trans-64.8127.5165.6-72177.3000108.9A599 D601 Y605 P676 L678L480-A599 VanDerWaalsContact CD2-O 3.27Å; L480-A599 WeakPolarHBondContact CD2-O 3.31Å; L480-D601 VanDerWaalsContact CD1-C 3.5Å; L480-D601 VanDerWaalsContact CD1-O 3.26Å; L480-D601 WeakPolarHBondContact CD1-O 3.37Å; L480-Y605 HydrophobicContact CD1-CD2 3.84Å; L480-Y605 HydrophobicContact CD1-CG 3.97Å; L480-Y605 HydrophobicContact CG-CD2 3.7Å; L480-Y605 HydrophobicContact CG-CE2 4.39Å; L480-Y605 HydrophobicContact CG-CG 4.28Å; L480-P676 HydrophobicContact CD1-CB 4.24Å; L480-P676 HydrophobicContact CD2-CB 4.09Å; L480-L678 HydrophobicContact CD2-CB 4.3Å
481V89.1Confident90.1Very high8 Ų831.6 Ų31.65%0.04817%0.168CC..EExtended strand (participates in β ladder)trans-112.3149.2169.8-58.10000108.8R479 W483 A490 P676 L677 K679 Q681R479-V481 PolarHBondContact O-N 3.48Å; V481-W483 HydrophobicContact CG2-CB 4.42Å; V481-W483 HydrophobicContact CG2-CE3 4.17Å; V481-W483 PolarHBondContact O-N 3.34Å; V481-W483 VanDerWaalsContact O-N 3.15Å; V481-A490 HydrophobicContact CB-CB 4.06Å; V481-A490 HydrophobicContact CG1-CB 4.46Å; V481-A490 HydrophobicContact CG2-CB 3.97Å; V481-P676 WeakPolarHBondContact O-CA 3.19Å; V481-L677 WeakPolarHBondContact CG2-O 3.48Å; V481-L677 PolarHBondContact N-O 2.95Å; V481-L677 PolarHBondContact O-N 3.46Å; V481-K679 HydrophobicContact CG2-CB 4.07Å; V481-K679 HydrophobicContact CG2-CG 4.16Å; V481-Q681 HydrophobicContact CG1-CG 3.73Å
482N90.1Very high89.1Confident18 Ų1827.7 Ų27.710%0.09615%0.152CC..EExtended strand (participates in β ladder)trans-68.5111.3163.6-65.6-40.6000107.9A490 I491 D493 V496 V674N482-A490 CarbonylContact O-C 3.23Å; N482-A490 WeakPolarHBondContact O-CA 3.46Å; N482-I491 HydrophobicContact CB-CG1 3.82Å; N482-I491 WeakPolarHBondContact CB-O 3.38Å; N482-I491 WeakPolarHBondContact O-CG1 3.4Å; N482-I491 PolarHBondContact O-N 3Å; N482-D493 WeakPolarHBondContact ND2-CA 3.29Å; N482-D493 PolarHBondContact ND2-OD1 3.37Å; N482-V496 HydrophobicContact CB-CG2 4.09Å; N482-V674 HydrophobicContact CB-CG1 3.5Å
483W92.4Very high88.1Confident1 Ų130.6 Ų30.60%0.00416%0.155CC..EExtended strand (participates in β ladder)trans-108.1138.1-177.7-173.1-97000111V481 N488 A490 E621 E675 L677 K679 Q728V481-W483 HydrophobicContact CG2-CB 4.42Å; V481-W483 HydrophobicContact CG2-CE3 4.17Å; V481-W483 PolarHBondContact O-N 3.34Å; V481-W483 VanDerWaalsContact O-N 3.15Å; W483-N488 HydrophobicContact CZ2-CB 4.18Å; W483-A490 HydrophobicContact CE3-CB 4.34Å; W483-A490 VanDerWaalsContact CE3-N 3.26Å; W483-A490 VanDerWaalsContact CZ3-N 3.3Å; W483-E621 HydrophobicContact CH2-CG 4.18Å; W483-E621 HydrophobicContact CZ2-CB 3.72Å; W483-E621 HydrophobicContact CZ2-CG 3.72Å; W483-E621 PolarHBondContact NE1-O 2.93Å; W483-E675 WeakPolarHBondContact CA-O 3.07Å; W483-E675 HydrophobicContact CB-CB 4.39Å; W483-E675 WeakPolarHBondContact CB-O 3.48Å; W483-E675 PolarHBondContact N-O 3.5Å; W483-E675 PolarHBondContact O-N 3.07Å; W483-L677 HydrophobicContact CB-CB 3.68Å; W483-L677 HydrophobicContact CB-CD2 4.23Å; W483-L677 HydrophobicContact CD2-CD2 3.76Å; W483-L677 HydrophobicContact CE3-CD2 4.25Å; W483-L677 HydrophobicContact CG-CB 4.12Å; W483-L677 HydrophobicContact CG-CD2 3.72Å; W483-K679 HydrophobicContact CE3-CG 4.48Å; W483-K679 HydrophobicContact CZ3-CG 4.49Å; W483-Q728 HydrophobicContact CH2-CB 4.46Å; W483-Q728 HydrophobicContact CH2-CG 4.12Å; W483-Q728 HydrophobicContact CZ3-CG 4.21Å
484S91.8Very high86.7Confident0 Ų033.6 Ų33.60%017%0.17CC..EExtended strand (participates in β ladder)trans-108.2105.7170.1179.50000109T486 L487 N488 S489 S670S484-T486 PolarHBondContact O-N 3.27Å; S484-T486 VanDerWaalsContact O-N 3.17Å; S484-L487 PolarHBondContact O-N 2.93Å; S484-L487 WeakPolarHBondContact OG-CG 3.21Å; S484-L487 PolarHBondContact OG-N 3.44Å; S484-N488 WeakPolarHBondContact O-CA 3.39Å; S484-N488 PolarHBondContact O-N 2.95Å; S484-S489 PolarHBondContact N-O 2.83Å; S484-S489 VanDerWaalsContact N-O 3.13Å; S484-S670 PolarHBondContact OG-OG 2.9Å
485C91.8Very high85.5Confident17 Ų1734.6 Ų34.612%0.11517%0.174CC..THydrogen-bonded Turntrans-60.8-22.7177.2-61.40000112.6N488 E621 D672C485-N488 PolarHBondContact O-OD1 3.2Å; C485-E621 WeakPolarHBondContact CA-O 3.32Å; C485-D672 PolarHBondContact N-OD2 3.42Å
486T88.6Confident84.9Confident67 Ų6732.8 Ų32.841%0.41117%0.169SC..THydrogen-bonded Turntrans-76.9-37.1174.1-58.30000112.7S484 P510 D672S484-T486 PolarHBondContact O-N 3.27Å; S484-T486 VanDerWaalsContact O-N 3.17Å; T486-P510 HydrophobicContact CG2-CB 4.21Å; T486-P510 WeakPolarHBondContact OG1-CB 3.43Å; T486-D672 PolarHBondContact N-OD2 2.64Å; T486-D672 WeakPolarHBondContact OG1-CB 3.17Å; T486-D672 PolarHBondContact OG1-OD2 3.39Å
487L83.1Confident84.5Confident15 Ų1534.7 Ų34.78%0.07918%0.182CC..THydrogen-bonded Turntrans-89.5-16.9-179.1-60.1172.8000112.2I392 V396 R410 S484 S489 I491 R669I392-L487 HydrophobicContact CD1-CD1 4.18Å; V396-L487 HydrophobicContact CG2-CD2 3.85Å; R410-L487 PolarHBondContact NH2-O 3.12Å; S484-L487 PolarHBondContact O-N 2.93Å; S484-L487 WeakPolarHBondContact OG-CG 3.21Å; S484-L487 PolarHBondContact OG-N 3.44Å; L487-S489 VanDerWaalsContact C-N 3.29Å; L487-S489 PolarHBondContact O-N 2.94Å; L487-I491 HydrophobicContact CD1-CG2 4.37Å; L487-R669 HydrophobicContact CD1-CB 4.29Å
488N88.1Confident84.4Confident32 Ų3241.8 Ų41.817%0.17121%0.209CC..THydrogen-bonded Turntrans48.652.3-167.8-72.7-14.4000111.5W483 S484 C485 E621 N622 Q728W483-N488 HydrophobicContact CZ2-CB 4.18Å; S484-N488 WeakPolarHBondContact O-CA 3.39Å; S484-N488 PolarHBondContact O-N 2.95Å; C485-N488 PolarHBondContact O-OD1 3.2Å; N488-E621 PolarHBondContact OD1-O 3.06Å; N488-N622 PolarHBondContact ND2-OD1 3.47Å; N488-N622 VanDerWaalsContact ND2-OD1 3.15Å; N488-Q728 WeakPolarHBondContact O-CB 3.48Å
489S85.9Confident84.6Confident0 Ų041.3 Ų41.30%021%0.207CC..EExtended strand (participates in β ladder)trans-151.3147.1178.6-175.80000111.6S484 L487 Q728S484-S489 PolarHBondContact N-O 2.83Å; S484-S489 VanDerWaalsContact N-O 3.13Å; L487-S489 VanDerWaalsContact C-N 3.29Å; L487-S489 PolarHBondContact O-N 2.94Å; S489-Q728 PolarHBondContact OG-N 3.12Å
490A86.3Confident84.9Confident2 Ų245.2 Ų45.22%0.01723%0.229CC..EExtended strand (participates in β ladder)trans-60.7139.8158.800000109.3V481 N482 W483 R727 Q728V481-A490 HydrophobicContact CB-CB 4.06Å; V481-A490 HydrophobicContact CG1-CB 4.46Å; V481-A490 HydrophobicContact CG2-CB 3.97Å; N482-A490 CarbonylContact O-C 3.23Å; N482-A490 WeakPolarHBondContact O-CA 3.46Å; W483-A490 HydrophobicContact CE3-CB 4.34Å; W483-A490 VanDerWaalsContact CE3-N 3.26Å; W483-A490 VanDerWaalsContact CZ3-N 3.3Å; A490-R727 WeakPolarHBondContact O-CD 3.43Å; A490-Q728 VanDerWaalsContact N-OE1 3.08Å
491I83Confident85.1Confident9 Ų945.1 Ų45.15%0.04623%0.228CC..EExtended strand (participates in β ladder)trans-123150.6172.962.9174.1000108.2N482 L487 E495 V496 C667 V674N482-I491 HydrophobicContact CB-CG1 3.82Å; N482-I491 WeakPolarHBondContact CB-O 3.38Å; N482-I491 WeakPolarHBondContact O-CG1 3.4Å; N482-I491 PolarHBondContact O-N 3Å; L487-I491 HydrophobicContact CD1-CG2 4.37Å; I491-E495 HydrophobicContact CB-CB 3.98Å; I491-E495 HydrophobicContact CD1-CB 4.39Å; I491-V496 HydrophobicContact CD1-CG2 3.91Å; I491-V496 HydrophobicContact CG1-CG2 4.29Å; I491-C667 HydrophobicContact CD1-CB 3.95Å; I491-V674 HydrophobicContact CD1-CG2 3.91Å
492S74.5Confident85.2Confident25 Ų2550.3 Ų50.318%0.17527%0.265CS..  trans-71.9158.4177.457.90000111.4I494 E495S492-I494 PolarHBondContact O-N 3.34Å; S492-I494 WeakPolarHBondContact OG-CG2 3.34Å; S492-E495 PolarHBondContact N-OE2 3.48Å; S492-E495 PolarHBondContact O-N 3.04Å; S492-E495 WeakPolarHBondContact OG-CG 3.33Å; S492-E495 PolarHBondContact OG-OE2 3.37Å
493D73.9Confident85.4Confident114 Ų11450 Ų5061%0.6127%0.266SS*.G310 helixtrans-50-31.5174.5-73.7-29000113N482 V496N482-D493 WeakPolarHBondContact ND2-CA 3.29Å; N482-D493 PolarHBondContact ND2-OD1 3.37Å; D493-V496 WeakPolarHBondContact O-CB 3.35Å; D493-V496 PolarHBondContact O-N 3.42Å
494I67.5Low85.6Confident85 Ų8555.4 Ų55.444%0.43629%0.286SS..G310 helixtrans-79.5-21.1-179.3-173.4158.9000114.3S492 V496 F832S492-I494 PolarHBondContact O-N 3.34Å; S492-I494 WeakPolarHBondContact OG-CG2 3.34Å; I494-V496 PolarHBondContact O-N 2.87Å; I494-F832 HydrophobicContact CD1-CD1 3.53Å; I494-F832 HydrophobicContact CD1-CD2 4.05Å; I494-F832 HydrophobicContact CD1-CE1 2.87Å; I494-F832 HydrophobicContact CD1-CE2 3.36Å; I494-F832 HydrophobicContact CD1-CG 4.16Å; I494-F832 HydrophobicContact CD1-CZ 2.81Å; I494-F832 HydrophobicContact CG1-CE1 4.31Å; I494-F832 HydrophobicContact CG1-CZ 4.26Å
495E72.1Confident85.8Confident22 Ų2257.4 Ų57.410%0.10330%0.299CS..G310 helixtrans-804.5175.4-70.1172.2107.700112.3I392 I491 S492 S668I392-E495 WeakPolarHBondContact CG2-OE1 3.41Å; I491-E495 HydrophobicContact CB-CB 3.98Å; I491-E495 HydrophobicContact CD1-CB 4.39Å; S492-E495 PolarHBondContact N-OE2 3.48Å; S492-E495 PolarHBondContact O-N 3.04Å; S492-E495 WeakPolarHBondContact OG-CG 3.33Å; S492-E495 PolarHBondContact OG-OE2 3.37Å; E495-S668 VanDerWaalsContact O-CB 3.26Å; E495-S668 WeakPolarHBondContact O-CB 3.43Å; E495-S668 PolarHBondContact O-N 3.26Å; E495-S668 PolarHBondContact O-OG 2.9Å
496V81.3Confident85.9Confident20 Ų2061.4 Ų61.412%0.12132%0.318CS..EExtended strand (participates in β ladder)trans-101.8108.8178.4-174.40000110.5N482 I491 D493 I494 P665 V666 V674N482-V496 HydrophobicContact CB-CG2 4.09Å; I491-V496 HydrophobicContact CD1-CG2 3.91Å; I491-V496 HydrophobicContact CG1-CG2 4.29Å; D493-V496 WeakPolarHBondContact O-CB 3.35Å; D493-V496 PolarHBondContact O-N 3.42Å; I494-V496 PolarHBondContact O-N 2.87Å; V496-P665 HydrophobicContact CG1-CB 3.36Å; V496-V666 CarbonylContact C-O 3.5Å; V496-V666 WeakPolarHBondContact CA-O 3.38Å; V496-V674 HydrophobicContact CB-CG2 4.44Å; V496-V674 HydrophobicContact CG1-CG2 3.87Å; V496-V674 HydrophobicContact CG2-CG1 4.31Å; V496-V674 HydrophobicContact CG2-CG2 3.96Å
497D83.8Confident86.1Confident70 Ų7058.7 Ų58.737%0.37430%0.301SS..EExtended strand (participates in β ladder)trans-71128.6168.2-66-25.2000109.1V666 S668 K671D497-V666 HydrophobicContact CB-CB 4.35Å; D497-V666 PolarHBondContact N-O 3.18Å; D497-V666 PolarHBondContact O-N 2.94Å; D497-S668 WeakPolarHBondContact OD1-CB 3.37Å; D497-S668 WeakPolarHBondContact OD2-CA 3.21Å; D497-K671 IonicContact OD2-NZ 2.64Å; D497-K671 PolarHBondContact OD2-NZ 3.18Å; D497-K671 VanDerWaalsContact OD2-NZ 3.15Å
498K88.1Confident86.5Confident174 Ų17462.4 Ų62.476%0.75733%0.326SS*.EExtended strand (participates in β ladder)trans-89.6108.7174.6-69.6-175.8-177-176.70109.9V663K498-V663 HydrophobicContact CB-CG1 3.68Å; K498-V663 HydrophobicContact CD-CG1 4.4Å; K498-V663 HydrophobicContact CG-CG1 4.09Å
499K89.9Confident86.6Confident91 Ų9161.2 Ų61.240%0.39632%0.32SS..EExtended strand (participates in β ladder)trans-96.9106177.8-172.5171.6-175.7170.90110.6L501 L507 V663 V664 V666K499-L501 HydrophobicContact CD-CD2 4.35Å; K499-L501 HydrophobicContact CG-CD2 4.11Å; K499-L507 HydrophobicContact CD-CD1 4.17Å; K499-L507 HydrophobicContact CD-CD2 4.37Å; K499-V663 WeakPolarHBondContact O-CA 3.48Å; K499-V664 PolarHBondContact N-O 3.22Å; K499-V664 PolarHBondContact O-N 3.16Å; K499-V666 HydrophobicContact CB-CG2 4.05Å
500E92.3Very high86.7Confident164 Ų16463.1 Ų63.177%0.76633%0.332SS*.EExtended strand (participates in β ladder)trans-73.6130.1174.1-61.4-176.1178.400110.7V663E500-V663 HydrophobicContact CG-CG2 4.22Å
501L93.4Very high86.7Confident13 Ų1365.9 Ų65.97%0.06836%0.361CS..EExtended strand (participates in β ladder)trans-117.9128175.2-55.8-177.6000108.2K499 G503 T505 L507 F518 P661 M662 V664K499-L501 HydrophobicContact CD-CD2 4.35Å; K499-L501 HydrophobicContact CG-CD2 4.11Å; L501-G503 PolarHBondContact O-N 3.47Å; L501-T505 HydrophobicContact CD2-CG2 4.13Å; L501-L507 HydrophobicContact CD1-CD1 4.3Å; L501-L507 HydrophobicContact CD2-CD1 4.46Å; L501-F518 HydrophobicContact CD1-CB 3.62Å; L501-P661 CarbonylContact O-C 3.53Å; L501-P661 WeakPolarHBondContact O-CA 3.35Å; L501-M662 HydrophobicContact CB-CG 4.32Å; L501-M662 HydrophobicContact CD1-CG 4.11Å; L501-M662 PolarHBondContact N-O 3.06Å; L501-M662 PolarHBondContact O-N 3.08Å; L501-V664 HydrophobicContact CD1-CG2 3.5Å; L501-V664 HydrophobicContact CG-CG2 4.16Å
502S91.6Very high87Confident118 Ų11867.7 Ų67.783%0.82537%0.368SS*.SBendtrans-78.5-7.6177.159.20000113.6
503G93.3Very high87.6Confident10 Ų1077 Ų7710%0.10341%0.405CS..SBendtrans166.3-160.4-176.800000111.2L501 T505 G519L501-G503 PolarHBondContact O-N 3.47Å; G503-T505 PolarHBondContact O-N 2.97Å; G503-T505 PolarHBondContact O-OG1 2.92Å; G503-G519 CarbonylContact C-O 3.56Å
504R96.6Very high88.4Confident115 Ų11579.6 Ų79.643%0.43441%0.414SS..  trans-54.9121.2-174.2-176.8-176.5-58.4-137.17.8112E517 F518 G519 V520 D659R504-E517 VanDerWaalsContact CD-OE1 3.23Å; R504-E517 WeakPolarHBondContact CD-OE1 3.47Å; R504-E517 HydrophobicContact CG-CG 4.15Å; R504-E517 IonicContact CZ-OE1 2.74Å; R504-E517 IonicContact NE-OE1 3.44Å; R504-E517 IonicContact NH1-OE1 3.64Å; R504-E517 PolarHBondContact NH1-OE1 2.75Å; R504-F518 CarbonylContact C-O 3.55Å; R504-F518 WeakPolarHBondContact CA-O 3.2Å; R504-G519 WeakPolarHBondContact CA-O 3.47Å; R504-G519 PolarHBondContact N-O 3.01Å; R504-G519 VanDerWaalsContact N-O 3.14Å; R504-V520 HydrophobicContact CB-CG1 3.91Å; R504-V520 HydrophobicContact CG-CG1 3.69Å; R504-D659 WeakPolarHBondContact CB-OD1 3.4Å; R504-D659 IonicContact CZ-OD1 2.96Å; R504-D659 IonicContact NE-OD1 2.8Å; R504-D659 PolarHBondContact NE-OD1 2.94Å; R504-D659 IonicContact NH2-OD1 3.4Å; R504-D659 PolarHBondContact NH2-OD1 2.55Å
505T96.1Very high89.6Confident43 Ų4382 Ų8226%0.26442%0.421SS..EExtended strand (participates in β ladder)trans-142.7133.2-174-55.30000111L501 G503 L507 F518L501-T505 HydrophobicContact CD2-CG2 4.13Å; G503-T505 PolarHBondContact O-N 2.97Å; G503-T505 PolarHBondContact O-OG1 2.92Å; T505-L507 HydrophobicContact CG2-CD2 3.74Å; T505-L507 HydrophobicContact CG2-CG 4.24Å; T505-F518 PolarHBondContact N-O 3.07Å; T505-F518 PolarHBondContact O-N 2.93Å
506L95.3Very high90.7Very high101 Ų10181.6 Ų81.653%0.52942%0.42SS..EExtended strand (participates in β ladder)trans-90.6117.2171.7-71173.8000110.6K515 V516 E517L506-K515 HydrophobicContact CB-CB 3.85Å; L506-K515 HydrophobicContact CB-CD 4.08Å; L506-K515 HydrophobicContact CD2-CB 4.47Å; L506-V516 WeakPolarHBondContact CA-O 3.23Å; L506-E517 HydrophobicContact CD2-CB 3.98Å
507L91.8Very high91.4Very high9 Ų983.6 Ų83.65%0.04743%0.428CS..EExtended strand (participates in β ladder)trans-110139-179.4-63.3-175.1000111.9K499 L501 T505 K515 V516 F518K499-L507 HydrophobicContact CD-CD1 4.17Å; K499-L507 HydrophobicContact CD-CD2 4.37Å; L501-L507 HydrophobicContact CD1-CD1 4.3Å; L501-L507 HydrophobicContact CD2-CD1 4.46Å; T505-L507 HydrophobicContact CG2-CD2 3.74Å; T505-L507 HydrophobicContact CG2-CG 4.24Å; L507-K515 CarbonylContact O-C 3.56Å; L507-K515 WeakPolarHBondContact O-CA 3.41Å; L507-V516 PolarHBondContact N-O 3.49Å; L507-V516 PolarHBondContact O-N 3.39Å; L507-F518 HydrophobicContact CB-CD2 3.87Å; L507-F518 HydrophobicContact CB-CE2 4.04Å; L507-F518 HydrophobicContact CD1-CD2 3.82Å; L507-F518 HydrophobicContact CD1-CE2 4.34Å; L507-F518 HydrophobicContact CD1-CG 4.33Å; L507-F518 HydrophobicContact CG-CD2 3.94Å
508P91.1Very high92Very high93 Ų9380.7 Ų80.760%0.60441%0.412SS*.  trans-68.5138.3166.330.8-32.8000109.6
509V91.8Very high92.3Very high7 Ų772.4 Ų72.44%0.04238%0.376CS..  trans-129129.3176.2-178.40000108.3G511 Y512 V516 F518 F638 D672 I673V509-G511 PolarHBondContact O-N 3.3Å; V509-Y512 HydrophobicContact CB-CD2 3.86Å; V509-Y512 HydrophobicContact CG1-CD2 3.64Å; V509-Y512 HydrophobicContact CG1-CE2 3.9Å; V509-Y512 PolarHBondContact O-N 3.24Å; V509-V516 HydrophobicContact CB-CG2 4.25Å; V509-V516 HydrophobicContact CG2-CB 3.97Å; V509-V516 HydrophobicContact CG2-CG2 3.81Å; V509-F518 HydrophobicContact CG2-CE2 4.15Å; V509-F518 HydrophobicContact CG2-CZ 4.42Å; V509-F638 HydrophobicContact CB-CE2 4.49Å; V509-F638 HydrophobicContact CG1-CD2 4.09Å; V509-F638 HydrophobicContact CG1-CE2 3.73Å; V509-F638 HydrophobicContact CG2-CD2 4.46Å; V509-F638 HydrophobicContact CG2-CE2 4.25Å; V509-D672 WeakPolarHBondContact CG1-OD1 3.47Å; V509-I673 HydrophobicContact CG1-CG1 4.41Å; V509-I673 HydrophobicContact CG2-CG1 3.92Å
510P87.7Confident92.6Very high41 Ų4168.5 Ų68.527%0.26636%0.36SS..THydrogen-bonded Turntrans-53137.1175.2-23.633.8000112.3T486 Y512 S670 D672T486-P510 HydrophobicContact CG2-CB 4.21Å; T486-P510 WeakPolarHBondContact OG1-CB 3.43Å; P510-Y512 WeakPolarHBondContact O-CD2 3.29Å; P510-S670 WeakPolarHBondContact CG-O 3.41Å; P510-D672 HydrophobicContact CG-CB 4.1Å
511G86Confident92.8Very high60 Ų6061.6 Ų61.662%0.61933%0.328SS*.THydrogen-bonded Turntrans85.6-0.1-178.600000115.6V509 K636V509-G511 PolarHBondContact O-N 3.3Å; G511-K636 PolarHBondContact O-NZ 3.18Å
512Y90.1Very high92.9Very high46 Ų4661.4 Ų61.418%0.1833%0.327CS..  trans-119.1137.1176.5-63-94.7000111.2V509 P510 V516 K636 R637 F638 E639V509-Y512 HydrophobicContact CB-CD2 3.86Å; V509-Y512 HydrophobicContact CG1-CD2 3.64Å; V509-Y512 HydrophobicContact CG1-CE2 3.9Å; V509-Y512 PolarHBondContact O-N 3.24Å; P510-Y512 WeakPolarHBondContact O-CD2 3.29Å; Y512-V516 HydrophobicContact CG-CG2 4.42Å; Y512-K636 HydrophobicContact CE1-CB 3.96Å; Y512-K636 HydrophobicContact CE1-CD 4.11Å; Y512-R637 VanDerWaalsContact OH-CG 3.27Å; Y512-R637 WeakPolarHBondContact OH-CG 3.38Å; Y512-F638 HydrophobicContact CD1-CB 4.28Å; Y512-F638 HydrophobicContact CD2-CD2 4.18Å; Y512-F638 HydrophobicContact CE1-CB 3.67Å; Y512-F638 HydrophobicContact CE1-CD2 4.07Å; Y512-F638 HydrophobicContact CE1-CG 4.36Å; Y512-F638 AromaticContact CE2-CD2 3.57Å; Y512-F638 HydrophobicContact CE2-CD2 3.57Å; Y512-F638 HydrophobicContact CE2-CE2 4.22Å; Y512-F638 AromaticContact CZ-CD2 3.48Å; Y512-F638 VanDerWaalsContact CZ-CD2 3.48Å; Y512-F638 PolarHBondContact OH-N 3.09Å; Y512-E639 HydrophobicContact CE1-CG 4.28Å
513K86.6Confident93.2Very high222 Ų22256.1 Ų56.197%0.96529%0.29SS*.SBendtrans-77.5-39.6178-68.6-178.8179.8176.70111.9
514E90.1Very high93.4Very high168 Ų16855.6 Ų55.679%0.78529%0.285SS*.SBendtrans-95.6155.4178.8-61.7-172.7176.100110.8
515K92.8Very high93.4Very high134 Ų13450.1 Ų50.158%0.58326%0.264SS*.PPolyproline II helixtrans-73.2142.4173.8-64.9-179.1-179.4177.60109.6L506 L507L506-K515 HydrophobicContact CB-CB 3.85Å; L506-K515 HydrophobicContact CB-CD 4.08Å; L506-K515 HydrophobicContact CD2-CB 4.47Å; L507-K515 CarbonylContact O-C 3.56Å; L507-K515 WeakPolarHBondContact O-CA 3.41Å
516V95.3Very high93.4Very high14 Ų1448.1 Ų48.19%0.08525%0.252CS..EExtended strand (participates in β ladder)trans-96.1138.5-178.7179.80000109.9L506 L507 V509 Y512 F518 F638L506-V516 WeakPolarHBondContact CA-O 3.23Å; L507-V516 PolarHBondContact N-O 3.49Å; L507-V516 PolarHBondContact O-N 3.39Å; V509-V516 HydrophobicContact CB-CG2 4.25Å; V509-V516 HydrophobicContact CG2-CB 3.97Å; V509-V516 HydrophobicContact CG2-CG2 3.81Å; Y512-V516 HydrophobicContact CG-CG2 4.42Å; V516-F518 HydrophobicContact CB-CD2 4.47Å; V516-F518 HydrophobicContact CB-CE2 3.69Å; V516-F518 HydrophobicContact CB-CZ 4.23Å; V516-F518 HydrophobicContact CG1-CD2 4.31Å; V516-F518 HydrophobicContact CG1-CE2 3.57Å; V516-F518 HydrophobicContact CG1-CZ 3.71Å; V516-F518 WeakPolarHBondContact O-CD2 3.48Å; V516-F638 HydrophobicContact CB-CG 4.44Å; V516-F638 HydrophobicContact CG1-CB 3.84Å; V516-F638 HydrophobicContact CG1-CD1 3.75Å; V516-F638 HydrophobicContact CG1-CD2 4.24Å; V516-F638 HydrophobicContact CG1-CE1 4.4Å; V516-F638 HydrophobicContact CG1-CG 3.67Å; V516-F638 HydrophobicContact CG2-CB 3.82Å; V516-F638 HydrophobicContact CG2-CD2 3.97Å; V516-F638 HydrophobicContact CG2-CG 3.97Å
517E95.6Very high93.5Very high62 Ų6248.3 Ų48.329%0.2925%0.248SC..EExtended strand (participates in β ladder)trans-79.2129.7178.8-170.7179.6-123.900111.6R504 L506 V520 R641R504-E517 VanDerWaalsContact CD-OE1 3.23Å; R504-E517 WeakPolarHBondContact CD-OE1 3.47Å; R504-E517 HydrophobicContact CG-CG 4.15Å; R504-E517 IonicContact CZ-OE1 2.74Å; R504-E517 IonicContact NE-OE1 3.44Å; R504-E517 IonicContact NH1-OE1 3.64Å; R504-E517 PolarHBondContact NH1-OE1 2.75Å; L506-E517 HydrophobicContact CD2-CB 3.98Å; E517-V520 HydrophobicContact CG-CG1 4.12Å; E517-V520 HydrophobicContact CG-CG2 4.32Å; E517-R641 PolarHBondContact O-NH1 2.97Å
518F96.3Very high93.6Very high10 Ų1048.2 Ų48.24%0.04425%0.248CC..EExtended strand (participates in β ladder)trans-133.9172.9172.3-63.6-87000109.8L501 R504 T505 L507 V509 V516 F638 M662 V664 I673L501-F518 HydrophobicContact CD1-CB 3.62Å; R504-F518 CarbonylContact C-O 3.55Å; R504-F518 WeakPolarHBondContact CA-O 3.2Å; T505-F518 PolarHBondContact N-O 3.07Å; T505-F518 PolarHBondContact O-N 2.93Å; L507-F518 HydrophobicContact CB-CD2 3.87Å; L507-F518 HydrophobicContact CB-CE2 4.04Å; L507-F518 HydrophobicContact CD1-CD2 3.82Å; L507-F518 HydrophobicContact CD1-CE2 4.34Å; L507-F518 HydrophobicContact CD1-CG 4.33Å; L507-F518 HydrophobicContact CG-CD2 3.94Å; V509-F518 HydrophobicContact CG2-CE2 4.15Å; V509-F518 HydrophobicContact CG2-CZ 4.42Å; V516-F518 HydrophobicContact CB-CD2 4.47Å; V516-F518 HydrophobicContact CB-CE2 3.69Å; V516-F518 HydrophobicContact CB-CZ 4.23Å; V516-F518 HydrophobicContact CG1-CD2 4.31Å; V516-F518 HydrophobicContact CG1-CE2 3.57Å; V516-F518 HydrophobicContact CG1-CZ 3.71Å; V516-F518 WeakPolarHBondContact O-CD2 3.48Å; F518-F638 HydrophobicContact CE1-CE1 4.17Å; F518-F638 HydrophobicContact CE1-CZ 4.43Å; F518-F638 AromaticContact CZ-CE1 3.94Å; F518-F638 HydrophobicContact CZ-CE1 3.94Å; F518-F638 AromaticContact CZ-CZ 3.96Å; F518-F638 HydrophobicContact CZ-CZ 3.96Å; F518-M662 HydrophobicContact CB-SD 4.3Å; F518-V664 HydrophobicContact CB-CG2 4.17Å; F518-V664 HydrophobicContact CD1-CG1 4.48Å; F518-V664 HydrophobicContact CD1-CG2 4.09Å; F518-V664 HydrophobicContact CG-CG2 4.25Å; F518-I673 HydrophobicContact CE1-CG1 4.38Å; F518-I673 HydrophobicContact CE1-CG2 4.38Å; F518-I673 HydrophobicContact CE2-CG1 4.29Å; F518-I673 HydrophobicContact CZ-CD1 4.38Å; F518-I673 HydrophobicContact CZ-CG1 3.73Å; F518-I673 HydrophobicContact CZ-CG2 4.5Å
519G95.2Very high93.8Very high0 Ų046.5 Ų46.50%023%0.234CC..SBendtrans73.830.4-179.500000113G503 R504 N660 M662G503-G519 CarbonylContact C-O 3.56Å; R504-G519 WeakPolarHBondContact CA-O 3.47Å; R504-G519 PolarHBondContact N-O 3.01Å; R504-G519 VanDerWaalsContact N-O 3.14Å; G519-N660 CarbonylContact C-O 3.56Å; G519-N660 WeakPolarHBondContact CA-O 3.24Å; G519-N660 PolarHBondContact O-N 2.87Å; G519-N660 VanDerWaalsContact O-O 3.08Å; G519-M662 PolarHBondContact N-SD 3.39Å
520V95.9Very high93.7Very high9 Ų950.1 Ų50.16%0.05527%0.273CS..EExtended strand (participates in β ladder)trans-128.5147177.2-62.90000110.1R504 E517 T540 I657 K658R504-V520 HydrophobicContact CB-CG1 3.91Å; R504-V520 HydrophobicContact CG-CG1 3.69Å; E517-V520 HydrophobicContact CG-CG1 4.12Å; E517-V520 HydrophobicContact CG-CG2 4.32Å; V520-T540 WeakPolarHBondContact O-CG2 3.46Å; V520-I657 HydrophobicContact CB-CG2 3.72Å; V520-I657 HydrophobicContact CG1-CG2 4.08Å; V520-I657 HydrophobicContact CG2-CG2 4.3Å; V520-K658 CarbonylContact C-O 3.42Å; V520-K658 VanDerWaalsContact CA-O 3.28Å; V520-K658 WeakPolarHBondContact CA-O 3.24Å
521L95.7Very high93.8Very high19 Ų1950.9 Ų50.910%0.09928%0.279CS..EExtended strand (participates in β ladder)trans-114.9119.3173.6-171.271000108.3A538 T540 F589 I657 K658 N660L521-A538 HydrophobicContact CD1-CB 4.01Å; L521-A538 HydrophobicContact CD2-CB 3.88Å; L521-A538 HydrophobicContact CG-CB 3.88Å; L521-T540 HydrophobicContact CD1-CG2 3.98Å; L521-F589 HydrophobicContact CD1-CE1 4.43Å; L521-F589 HydrophobicContact CD1-CZ 4.47Å; L521-F589 HydrophobicContact CD2-CE1 4.45Å; L521-F589 HydrophobicContact CD2-CZ 4.28Å; L521-I657 WeakPolarHBondContact O-CA 3.43Å; L521-K658 PolarHBondContact N-O 3.47Å; L521-K658 PolarHBondContact O-N 3.04Å; L521-N660 HydrophobicContact CB-CB 3.72Å
522V96.3Very high93.9Very high8 Ų856 Ų565%0.04829%0.292CS..EExtended strand (participates in β ladder)trans-99.2122.4-178-176.50000108.8A538 T539 I542 L645 F654 I657V522-A538 CarbonylContact O-C 3.46Å; V522-A538 WeakPolarHBondContact O-CA 3.34Å; V522-T539 PolarHBondContact N-O 3.42Å; V522-T539 PolarHBondContact O-N 3Å; V522-I542 HydrophobicContact CG1-CB 4.5Å; V522-I542 HydrophobicContact CG1-CD1 4.21Å; V522-I542 HydrophobicContact CG1-CG1 4.33Å; V522-L645 HydrophobicContact CG1-CD1 3.92Å; V522-F654 HydrophobicContact CG1-CD2 4.3Å; V522-F654 HydrophobicContact CG1-CE2 4.14Å; V522-I657 HydrophobicContact CG1-CG1 4.37Å; V522-I657 HydrophobicContact CG2-CD1 4.33Å; V522-I657 HydrophobicContact CG2-CG1 4.12Å
523S97.3Very high94.1Very high7 Ų757.4 Ų57.45%0.04930%0.3CS..EExtended strand (participates in β ladder)trans-99.7128.7174.1-57.80000110.2V537 K655 E656S523-V537 VanDerWaalsContact CA-O 3.3Å; S523-V537 WeakPolarHBondContact CA-O 3.46Å; S523-K655 WeakPolarHBondContact O-CB 3.42Å; S523-K655 PolarHBondContact O-N 3.09Å; S523-E656 PolarHBondContact N-O 3.11Å; S523-E656 PolarHBondContact O-N 3.15Å
524F97.4Very high94.5Very high0 Ų050 Ų500%027%0.27CS..EExtended strand (participates in β ladder)trans-146.1162.2177.575-76.9000111.1Y526 I536 V537 T539 I542 M545 K595 L648 Q653F524-Y526 HydrophobicContact CE2-CD1 4.48Å; F524-Y526 HydrophobicContact CE2-CD2 4.17Å; F524-Y526 AromaticContact CE2-CE1 3.88Å; F524-Y526 HydrophobicContact CE2-CE1 3.88Å; F524-Y526 AromaticContact CE2-CE2 3.56Å; F524-Y526 HydrophobicContact CE2-CE2 3.56Å; F524-Y526 AromaticContact CE2-CZ 3.37Å; F524-Y526 WeakPolarHBondContact CE2-OH 3.4Å; F524-Y526 AromaticContact CZ-CE2 3.62Å; F524-Y526 HydrophobicContact CZ-CE2 3.62Å; F524-Y526 AromaticContact CZ-CZ 3.64Å; F524-Y526 WeakPolarHBondContact CZ-OH 3.44Å; F524-I536 CarbonylContact O-C 3.49Å; F524-I536 WeakPolarHBondContact O-CA 3.46Å; F524-V537 HydrophobicContact CD1-CG2 3.8Å; F524-V537 HydrophobicContact CD2-CG2 4.49Å; F524-V537 HydrophobicContact CE1-CG2 3.32Å; F524-V537 HydrophobicContact CE2-CG2 4.09Å; F524-V537 HydrophobicContact CG-CG2 4.37Å; F524-V537 HydrophobicContact CZ-CG2 3.49Å; F524-V537 VanDerWaalsContact CZ-CG2 3.49Å; F524-V537 PolarHBondContact N-O 2.65Å; F524-V537 PolarHBondContact O-N 3.27Å; F524-T539 HydrophobicContact CD1-CG2 4.27Å; F524-T539 HydrophobicContact CE1-CG2 3.77Å; F524-I542 HydrophobicContact CD1-CD1 3.32Å; F524-I542 HydrophobicContact CD2-CD1 4.47Å; F524-I542 HydrophobicContact CE1-CD1 3.37Å; F524-I542 HydrophobicContact CE2-CD1 4.49Å; F524-I542 HydrophobicContact CG-CD1 3.92Å; F524-I542 HydrophobicContact CZ-CD1 3.99Å; F524-M545 HydrophobicContact CE2-CB 4.41Å; F524-M545 HydrophobicContact CE2-SD 3.97Å; F524-M545 HydrophobicContact CZ-CB 3.82Å; F524-M545 HydrophobicContact CZ-CG 4.33Å; F524-M545 HydrophobicContact CZ-SD 4.33Å; F524-K595 HydrophobicContact CZ-CD 4.47Å; F524-L648 HydrophobicContact CB-CD1 4.08Å; F524-L648 HydrophobicContact CD2-CD1 4.02Å; F524-L648 HydrophobicContact CD2-CD2 4.18Å; F524-L648 HydrophobicContact CG-CD1 4.04Å; F524-Q653 CarbonylContact C-O 3.56Å; F524-Q653 VanDerWaalsContact CA-O 3.29Å; F524-Q653 WeakPolarHBondContact CA-O 3.09Å
525A96.8Very high94.7Very high0 Ų042.1 Ų42.10%023%0.232CC..EExtended strand (participates in β ladder)trans-110.7136.1-172.900000113.8E534 V535 I536 Q653A525-E534 HydrophobicContact CB-CB 3.97Å; A525-E534 HydrophobicContact CB-CG 4.17Å; A525-E534 WeakPolarHBondContact CB-OE2 3.37Å; A525-V535 WeakPolarHBondContact CA-O 3.46Å; A525-I536 HydrophobicContact CB-CG1 4.35Å; A525-Q653 PolarHBondContact N-O 2.9Å; A525-Q653 PolarHBondContact O-NE2 2.94Å; A525-Q653 VanDerWaalsContact O-NE2 3.13Å
526Y97.4Very high94.9Very high0 Ų038.6 Ų38.60%022%0.219CC..EExtended strand (participates in β ladder)trans-98140.9162.9-73-65.7000110.8F524 E534 V535 V537 M545 D548 V551 V568 L569 P571 M577 K595F524-Y526 HydrophobicContact CE2-CD1 4.48Å; F524-Y526 HydrophobicContact CE2-CD2 4.17Å; F524-Y526 AromaticContact CE2-CE1 3.88Å; F524-Y526 HydrophobicContact CE2-CE1 3.88Å; F524-Y526 AromaticContact CE2-CE2 3.56Å; F524-Y526 HydrophobicContact CE2-CE2 3.56Å; F524-Y526 AromaticContact CE2-CZ 3.37Å; F524-Y526 WeakPolarHBondContact CE2-OH 3.4Å; F524-Y526 AromaticContact CZ-CE2 3.62Å; F524-Y526 HydrophobicContact CZ-CE2 3.62Å; F524-Y526 AromaticContact CZ-CZ 3.64Å; F524-Y526 WeakPolarHBondContact CZ-OH 3.44Å; Y526-E534 CarbonylContact O-C 3.56Å; Y526-E534 VanDerWaalsContact O-CA 3.27Å; Y526-E534 WeakPolarHBondContact O-CA 3.38Å; Y526-V535 PolarHBondContact N-O 3.14Å; Y526-V535 PolarHBondContact O-N 3.06Å; Y526-V537 HydrophobicContact CD2-CG1 4.24Å; Y526-V537 HydrophobicContact CD2-CG2 3.98Å; Y526-V537 HydrophobicContact CE2-CG2 3.81Å; Y526-M545 HydrophobicContact CE1-CE 4.32Å; Y526-M545 WeakPolarHBondContact OH-CE 3.44Å; Y526-D548 PolarHBondContact OH-OD2 3.37Å; Y526-V551 HydrophobicContact CD2-CG2 3.74Å; Y526-V551 HydrophobicContact CE2-CG2 4.07Å; Y526-V568 HydrophobicContact CG-CG2 4.13Å; Y526-L569 WeakPolarHBondContact CD1-O 3.47Å; Y526-P571 HydrophobicContact CD1-CG 4.15Å; Y526-P571 HydrophobicContact CE1-CG 4.01Å; Y526-M577 HydrophobicContact CD1-CE 3.76Å; Y526-M577 HydrophobicContact CE1-CE 3.46Å; Y526-M577 VanDerWaalsContact CE1-CE 3.46Å; Y526-M577 HydrophobicContact CE2-CE 4.3Å; Y526-M577 HydrophobicContact CG-CE 4.33Å; Y526-K595 HydrophobicContact CE2-CB 4.45Å
527K95.8Very high95Very high105 Ų10537.9 Ų37.946%0.45722%0.215SC..EExtended strand (participates in β ladder)trans-84.5136.1175.5-67-170175.7-168.50110.8E534 V568 L569K527-E534 HydrophobicContact CG-CG 4.33Å; K527-V568 CarbonylContact O-C 3.57Å; K527-V568 WeakPolarHBondContact O-CA 3.46Å; K527-V568 WeakPolarHBondContact O-CB 3.49Å; K527-L569 PolarHBondContact O-N 3.39Å
528V95.6Very high94.9Very high7 Ų735.5 Ų35.54%0.04221%0.206CC..EExtended strand (participates in β ladder)trans-73.2132.1174.2178.80000109.4G530 S531 E533 V535 L563 K566 V568V528-G530 PolarHBondContact O-N 2.9Å; V528-S531 PolarHBondContact O-N 3.48Å; V528-S531 VanDerWaalsContact O-N 3.15Å; V528-E533 HydrophobicContact CB-CB 4.35Å; V528-E533 HydrophobicContact CG2-CB 4.13Å; V528-E533 HydrophobicContact CG2-CG 4.22Å; V528-E533 WeakPolarHBondContact CG2-O 3.42Å; V528-E533 PolarHBondContact N-O 3.04Å; V528-V535 HydrophobicContact CG2-CG2 3.79Å; V528-L563 HydrophobicContact CG2-CD2 4.17Å; V528-K566 HydrophobicContact CG1-CB 4.45Å; V528-V568 HydrophobicContact CG2-CG1 4.39Å
529D93.8Very high94.9Very high58 Ų5835.6 Ų35.631%0.3121%0.207SC..THydrogen-bonded Turntrans-62.3125.3-179.7-173.333.9000110.9S531 F567 L569 K576D529-S531 VanDerWaalsContact C-N 3.34Å; D529-F567 HydrophobicContact CB-CB 4.12Å; D529-F567 PolarHBondContact N-O 3.16Å; D529-L569 HydrophobicContact CB-CD2 4Å; D529-L569 HydrophobicContact CB-CG 4.24Å; D529-K576 IonicContact OD1-NZ 3.19Å; D529-K576 PolarHBondContact OD1-NZ 2.93Å; D529-K576 WeakPolarHBondContact OD2-CD 3.22Å; D529-K576 WeakPolarHBondContact OD2-CE 3.44Å; D529-K576 IonicContact OD2-NZ 3.68Å; D529-K576 PolarHBondContact OD2-NZ 2.89Å
530G89.1Confident94.8Very high83 Ų8337.6 Ų37.686%0.85622%0.22SC*.THydrogen-bonded Turntrans72.618.2-177.100000115.5V528V528-G530 PolarHBondContact O-N 2.9Å
531S91.3Very high94.8Very high56 Ų5639.2 Ų39.239%0.39223%0.225SC..SBendtrans-142.4157.8177.1-178.50000111.5V528 D529 E533V528-S531 PolarHBondContact O-N 3.48Å; V528-S531 VanDerWaalsContact O-N 3.15Å; D529-S531 VanDerWaalsContact C-N 3.34Å; S531-E533 VanDerWaalsContact OG-CB 3.29Å; S531-E533 WeakPolarHBondContact OG-CB 3.44Å; S531-E533 PolarHBondContact OG-N 3.42Å; S531-E533 VanDerWaalsContact OG-N 3.09Å
532D88.1Confident94.8Very high168 Ų16838.4 Ų38.490%0.89822%0.221SC*.SBendtrans-82.7-3.6168.6-69.6-39.9000112.4
533E93.8Very high94.8Very high75 Ų7538.2 Ų38.235%0.3522%0.219SC..  trans-67143.1177.8-172.6175.4-176.200112.1V528 S531 H562V528-E533 HydrophobicContact CB-CB 4.35Å; V528-E533 HydrophobicContact CG2-CB 4.13Å; V528-E533 HydrophobicContact CG2-CG 4.22Å; V528-E533 WeakPolarHBondContact CG2-O 3.42Å; V528-E533 PolarHBondContact N-O 3.04Å; S531-E533 VanDerWaalsContact OG-CB 3.29Å; S531-E533 WeakPolarHBondContact OG-CB 3.44Å; S531-E533 PolarHBondContact OG-N 3.42Å; S531-E533 VanDerWaalsContact OG-N 3.09Å; E533-H562 IonicContact OE1-CD2 3.91Å; E533-H562 IonicContact OE1-CE1 3.98Å; E533-H562 IonicContact OE1-NE2 2.8Å; E533-H562 PolarHBondContact OE1-NE2 2.85Å; E533-H562 IonicContact OE2-CD2 2.65Å; E533-H562 IonicContact OE2-NE2 3.23Å
534E94.5Very high94.7Very high68 Ų6838.1 Ų38.132%0.31822%0.218SC..EExtended strand (participates in β ladder)trans-118.2138.3178.2-73.3-170.6153.200111.5A525 Y526 K527 K655A525-E534 HydrophobicContact CB-CB 3.97Å; A525-E534 HydrophobicContact CB-CG 4.17Å; A525-E534 WeakPolarHBondContact CB-OE2 3.37Å; Y526-E534 CarbonylContact O-C 3.56Å; Y526-E534 VanDerWaalsContact O-CA 3.27Å; Y526-E534 WeakPolarHBondContact O-CA 3.38Å; K527-E534 HydrophobicContact CG-CG 4.33Å; E534-K655 WeakPolarHBondContact OE2-CE 3.25Å; E534-K655 IonicContact OE2-NZ 3.15Å; E534-K655 PolarHBondContact OE2-NZ 2.85Å
535V95.9Very high94.7Very high1 Ų138.1 Ų38.11%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-101.9114.4170.1-174.70000108.6A525 Y526 V528 V537 V551 Y560 L563 V568 I579 A593A525-V535 WeakPolarHBondContact CA-O 3.46Å; Y526-V535 PolarHBondContact N-O 3.14Å; Y526-V535 PolarHBondContact O-N 3.06Å; V528-V535 HydrophobicContact CG2-CG2 3.79Å; V535-V537 HydrophobicContact CG1-CG1 4.47Å; V535-V551 HydrophobicContact CG1-CG1 4.05Å; V535-Y560 HydrophobicContact CG1-CE1 4.43Å; V535-L563 HydrophobicContact CG2-CD1 3.61Å; V535-V568 HydrophobicContact CB-CG1 4.4Å; V535-V568 HydrophobicContact CG2-CG1 3.98Å; V535-I579 HydrophobicContact CG2-CD1 4.1Å; V535-A593 HydrophobicContact CG1-CB 4.02Å
536I96.5Very high94.7Very high60 Ų6038.1 Ų38.131%0.30822%0.218SC..EExtended strand (participates in β ladder)trans-86.9125.1178.3-52.3174.6000108.7F524 A525 T591 K655F524-I536 CarbonylContact O-C 3.49Å; F524-I536 WeakPolarHBondContact O-CA 3.46Å; A525-I536 HydrophobicContact CB-CG1 4.35Å; I536-T591 HydrophobicContact CB-CG2 4.02Å; I536-T591 HydrophobicContact CG2-CG2 3.65Å; I536-T591 WeakPolarHBondContact O-CB 3.46Å; I536-T591 WeakPolarHBondContact O-CG2 3.21Å; I536-T591 PolarHBondContact O-OG1 3.34Å; I536-K655 HydrophobicContact CD1-CG 4.31Å; I536-K655 HydrophobicContact CG1-CG 4.46Å; I536-K655 HydrophobicContact CG2-CG 4.13Å
537V96.6Very high94.6Very high0 Ų038.1 Ų38.10%022%0.218CC..EExtended strand (participates in β ladder)trans-115.7156.3174.5-60.60000110.3S523 F524 Y526 V535 V551 A593 K595S523-V537 VanDerWaalsContact CA-O 3.3Å; S523-V537 WeakPolarHBondContact CA-O 3.46Å; F524-V537 HydrophobicContact CD1-CG2 3.8Å; F524-V537 HydrophobicContact CD2-CG2 4.49Å; F524-V537 HydrophobicContact CE1-CG2 3.32Å; F524-V537 HydrophobicContact CE2-CG2 4.09Å; F524-V537 HydrophobicContact CG-CG2 4.37Å; F524-V537 HydrophobicContact CZ-CG2 3.49Å; F524-V537 VanDerWaalsContact CZ-CG2 3.49Å; F524-V537 PolarHBondContact N-O 2.65Å; F524-V537 PolarHBondContact O-N 3.27Å; Y526-V537 HydrophobicContact CD2-CG1 4.24Å; Y526-V537 HydrophobicContact CD2-CG2 3.98Å; Y526-V537 HydrophobicContact CE2-CG2 3.81Å; V535-V537 HydrophobicContact CG1-CG1 4.47Å; V537-V551 HydrophobicContact CG1-CG1 3.77Å; V537-V551 HydrophobicContact CG1-CG2 4.2Å; V537-A593 HydrophobicContact CG1-CB 4.13Å; V537-K595 HydrophobicContact CG2-CB 4.32Å
538A94.2Very high94.7Very high12 Ų1233.1 Ų33.110%0.09920%0.197CC..EExtended strand (participates in β ladder)trans-119.2134.5178.300000111.1L521 V522L521-A538 HydrophobicContact CD1-CB 4.01Å; L521-A538 HydrophobicContact CD2-CB 3.88Å; L521-A538 HydrophobicContact CG-CB 3.88Å; V522-A538 CarbonylContact O-C 3.46Å; V522-A538 WeakPolarHBondContact O-CA 3.34Å
539T95.1Very high94.8Very high11 Ų1133.3 Ų33.37%0.06720%0.198CC..EExtended strand (participates in β ladder)trans-146.8147.2-179179.90000113V522 F524 R541 I542 K595V522-T539 PolarHBondContact N-O 3.42Å; V522-T539 PolarHBondContact O-N 3Å; F524-T539 HydrophobicContact CD1-CG2 4.27Å; F524-T539 HydrophobicContact CE1-CG2 3.77Å; T539-R541 PolarHBondContact OG1-N 2.88Å; T539-R541 PolarHBondContact OG1-O 2.96Å; T539-I542 HydrophobicContact CG2-CB 4.2Å; T539-I542 HydrophobicContact CG2-CD1 3.74Å; T539-K595 HydrophobicContact CG2-CD 4.18Å; T539-K595 WeakPolarHBondContact OG1-CE 3.47Å
540T94.1Very high94.9Very high43 Ų4330.5 Ų30.526%0.26418%0.183SC..SBendtrans-88.6-11.1170590000112.7V520 L521 M662V520-T540 WeakPolarHBondContact O-CG2 3.46Å; L521-T540 HydrophobicContact CD1-CG2 3.98Å; T540-M662 HydrophobicContact CG2-CE 4.42Å; T540-M662 HydrophobicContact CG2-SD 4.5Å
541R94.9Very high95.3Very high42 Ų4226.6 Ų26.616%0.15814%0.142CC..  trans-127.870.3-175.2-59.9-17164.5-170.7-0.4110.8T539 E543 T544 H600 E675T539-R541 PolarHBondContact OG1-N 2.88Å; T539-R541 PolarHBondContact OG1-O 2.96Å; R541-E543 IonicContact NE-OE1 3.68Å; R541-E543 PolarHBondContact O-N 3.46Å; R541-T544 HydrophobicContact CB-CG2 3.89Å; R541-T544 PolarHBondContact O-N 2.93Å; R541-T544 VanDerWaalsContact O-N 3.09Å; R541-T544 PolarHBondContact O-OG1 3.42Å; R541-H600 PolarHBondContact NH1-O 3.47Å; R541-E675 IonicContact CZ-OE1 2.97Å; R541-E675 VanDerWaalsContact CZ-OE1 3.23Å; R541-E675 IonicContact NH1-OE1 3.14Å; R541-E675 PolarHBondContact NH1-OE1 3.13Å; R541-E675 IonicContact NH2-OE1 2.74Å; R541-E675 PolarHBondContact NH2-OE1 3.29Å; R541-E675 IonicContact NH2-OE2 2.78Å; R541-E675 PolarHBondContact NH2-OE2 3.29Å; R541-E675 VanDerWaalsContact NH2-OE2 3.08Å
542I96.3Very high95.6Very high3 Ų323.9 Ų23.92%0.01512%0.124CC..G310 helixtrans-61.7-31.2-174.4-168.764.4000112.7V522 F524 T539 T544 M545 R641 V644 L648V522-I542 HydrophobicContact CG1-CB 4.5Å; V522-I542 HydrophobicContact CG1-CD1 4.21Å; V522-I542 HydrophobicContact CG1-CG1 4.33Å; F524-I542 HydrophobicContact CD1-CD1 3.32Å; F524-I542 HydrophobicContact CD2-CD1 4.47Å; F524-I542 HydrophobicContact CE1-CD1 3.37Å; F524-I542 HydrophobicContact CE2-CD1 4.49Å; F524-I542 HydrophobicContact CG-CD1 3.92Å; F524-I542 HydrophobicContact CZ-CD1 3.99Å; T539-I542 HydrophobicContact CG2-CB 4.2Å; T539-I542 HydrophobicContact CG2-CD1 3.74Å; I542-T544 PolarHBondContact O-N 3Å; I542-M545 HydrophobicContact CD1-CG 4.22Å; I542-M545 WeakPolarHBondContact O-CB 3.47Å; I542-M545 WeakPolarHBondContact O-CG 3.42Å; I542-M545 PolarHBondContact O-N 3.27Å; I542-M545 VanDerWaalsContact O-N 3.09Å; I542-R641 HydrophobicContact CG2-CG 3.73Å; I542-V644 HydrophobicContact CG1-CG1 3.97Å; I542-L648 HydrophobicContact CD1-CD1 3.69Å; I542-L648 HydrophobicContact CG1-CD1 3.87Å
543E95.9Very high96Very high4 Ų415.9 Ų15.92%0.0198%0.081CC..G310 helixtrans-58.6-29.8175.166.7-77.4-174.700113.6R541 M545 A640 R641R541-E543 IonicContact NE-OE1 3.68Å; R541-E543 PolarHBondContact O-N 3.46Å; E543-M545 PolarHBondContact O-N 2.87Å; E543-A640 HydrophobicContact CB-CB 4.47Å; E543-R641 HydrophobicContact CB-CB 4.16Å; E543-R641 IonicContact OE1-CZ 3.78Å; E543-R641 IonicContact OE1-NE 2.95Å; E543-R641 PolarHBondContact OE1-NE 2.81Å; E543-R641 IonicContact OE1-NH2 3.96Å; E543-R641 PolarHBondContact OE1-NH2 3.04Å; E543-R641 WeakPolarHBondContact OE2-CB 3.43Å; E543-R641 WeakPolarHBondContact OE2-CG 3.45Å; E543-R641 IonicContact OE2-CZ 3.74Å; E543-R641 IonicContact OE2-NE 2.74Å; E543-R641 PolarHBondContact OE2-NE 3.06Å; E543-R641 IonicContact OE2-NH2 2.59Å; E543-R641 PolarHBondContact OE2-NH2 3.16Å
544T96.6Very high96.1Very high4 Ų414.4 Ų14.43%0.0257%0.074CC..G310 helixtrans-71.9-15.7-179.562.80000112.9R541 I542 L546 G547 K595 T597 H600R541-T544 HydrophobicContact CB-CG2 3.89Å; R541-T544 PolarHBondContact O-N 2.93Å; R541-T544 VanDerWaalsContact O-N 3.09Å; R541-T544 PolarHBondContact O-OG1 3.42Å; I542-T544 PolarHBondContact O-N 3Å; T544-L546 PolarHBondContact O-N 3.5Å; T544-G547 PolarHBondContact O-N 3.4Å; T544-K595 WeakPolarHBondContact OG1-CE 3.44Å; T544-K595 PolarHBondContact OG1-NZ 3.41Å; T544-K595 VanDerWaalsContact OG1-NZ 3.07Å; T544-T597 WeakPolarHBondContact O-CG2 3.21Å; T544-H600 HydrophobicContact CG2-CB 4.18Å
545M95.9Very high96Very high0 Ų013.8 Ų13.80%08%0.075CC..G310 helixtrans-58.6-25.5-179.374.8116.5-56.800112.6F524 Y526 I542 E543 G547 D548 H570 F572 K595 V644 L648F524-M545 HydrophobicContact CE2-CB 4.41Å; F524-M545 HydrophobicContact CE2-SD 3.97Å; F524-M545 HydrophobicContact CZ-CB 3.82Å; F524-M545 HydrophobicContact CZ-CG 4.33Å; F524-M545 HydrophobicContact CZ-SD 4.33Å; Y526-M545 HydrophobicContact CE1-CE 4.32Å; Y526-M545 WeakPolarHBondContact OH-CE 3.44Å; I542-M545 HydrophobicContact CD1-CG 4.22Å; I542-M545 WeakPolarHBondContact O-CB 3.47Å; I542-M545 WeakPolarHBondContact O-CG 3.42Å; I542-M545 PolarHBondContact O-N 3.27Å; I542-M545 VanDerWaalsContact O-N 3.09Å; E543-M545 PolarHBondContact O-N 2.87Å; M545-G547 PolarHBondContact O-N 2.82Å; M545-G547 VanDerWaalsContact O-N 3.16Å; M545-D548 WeakPolarHBondContact CA-OD1 3.48Å; M545-D548 WeakPolarHBondContact CA-OD2 3.36Å; M545-D548 VanDerWaalsContact O-CB 3.28Å; M545-D548 WeakPolarHBondContact O-CB 3.32Å; M545-D548 PolarHBondContact O-N 3.42Å; M545-H570 WeakPolarHBondContact CE-CE1 3.49Å; M545-H570 WeakPolarHBondContact CE-NE2 3.32Å; M545-H570 PolarHBondContact O-NE2 2.91Å; M545-F572 HydrophobicContact CE-CD2 3.92Å; M545-F572 HydrophobicContact CE-CE2 4.13Å; M545-F572 HydrophobicContact SD-CD2 4Å; M545-F572 HydrophobicContact SD-CE2 3.58Å; M545-F572 VanDerWaalsContact SD-CE2 3.58Å; M545-K595 HydrophobicContact CB-CD 4.16Å; M545-V644 HydrophobicContact CG-CG1 3.89Å; M545-V644 HydrophobicContact SD-CG1 4.11Å; M545-L648 HydrophobicContact SD-CD1 4.39Å; M545-L648 HydrophobicContact SD-CD2 4.4Å
546L96.8Very high95.9Very high0 Ų016.9 Ų16.90%010%0.101CC..G310 helixtrans-60.2-25175.8-61.7173.3000113.3T544 H570 F572 R575 I618 L625 V628 F632 V644T544-L546 PolarHBondContact O-N 3.5Å; L546-H570 WeakPolarHBondContact CA-NE2 3.22Å; L546-F572 HydrophobicContact CD2-CB 4.45Å; L546-F572 HydrophobicContact CD2-CD2 3.66Å; L546-F572 HydrophobicContact CD2-CE2 4.35Å; L546-F572 HydrophobicContact CD2-CG 4.38Å; L546-R575 PolarHBondContact O-NH1 3.47Å; L546-I618 HydrophobicContact CB-CD1 4.11Å; L546-L625 HydrophobicContact CD1-CD2 3.49Å; L546-L625 VanDerWaalsContact CD1-CD2 3.49Å; L546-V628 HydrophobicContact CB-CG1 3.79Å; L546-V628 HydrophobicContact CD1-CB 4.33Å; L546-V628 HydrophobicContact CD1-CG1 4Å; L546-V628 HydrophobicContact CG-CG1 4.49Å; L546-F632 HydrophobicContact CD1-CB 3.93Å; L546-F632 HydrophobicContact CD1-CD2 4.06Å; L546-F632 HydrophobicContact CD1-CG 3.93Å; L546-F632 HydrophobicContact CD2-CD2 3.7Å; L546-F632 HydrophobicContact CD2-CE2 3.81Å; L546-F632 HydrophobicContact CD2-CG 4.38Å; L546-V644 HydrophobicContact CD1-CG2 3.81Å; L546-V644 HydrophobicContact CD2-CG2 4.28Å; L546-V644 HydrophobicContact CG-CG2 4.1Å
547G96.1Very high95.8Very high0 Ų014 Ų140%09%0.087CC..G310 helixtrans-96.34.6177.300000114.1T544 M545T544-G547 PolarHBondContact O-N 3.4Å; M545-G547 PolarHBondContact O-N 2.82Å; M545-G547 VanDerWaalsContact O-N 3.16Å
548D97.5Very high95.6Very high0 Ų018.9 Ų18.90%012%0.118CC..  trans-62141.1-174.2-74.2-5.8000111.7Y526 M545 R575 M577 K595 I596 T597Y526-D548 PolarHBondContact OH-OD2 3.37Å; M545-D548 WeakPolarHBondContact CA-OD1 3.48Å; M545-D548 WeakPolarHBondContact CA-OD2 3.36Å; M545-D548 VanDerWaalsContact O-CB 3.28Å; M545-D548 WeakPolarHBondContact O-CB 3.32Å; M545-D548 PolarHBondContact O-N 3.42Å; D548-R575 VanDerWaalsContact O-CD 3.24Å; D548-R575 WeakPolarHBondContact O-CD 3.42Å; D548-R575 PolarHBondContact O-NH1 3.15Å; D548-M577 VanDerWaalsContact C-SD 3.52Å; D548-M577 HydrophobicContact CB-CE 4.34Å; D548-M577 HydrophobicContact CB-SD 3.55Å; D548-M577 VanDerWaalsContact CB-SD 3.55Å; D548-K595 IonicContact OD1-NZ 3.67Å; D548-K595 WeakPolarHBondContact OD2-CB 3.37Å; D548-K595 WeakPolarHBondContact OD2-CD 3.31Å; D548-I596 WeakPolarHBondContact CA-O 3.46Å; D548-T597 PolarHBondContact OD1-OG1 3.46Å
549T97.2Very high95.6Very high11 Ų1124 Ų247%0.06714%0.135CC..  trans-125.9-12.1177.358.40000113.7P578 I596 P598 A614 I616T549-P578 VanDerWaalsContact O-CD 3.32Å; T549-P578 WeakPolarHBondContact O-CD 3.33Å; T549-I596 PolarHBondContact N-O 3.19Å; T549-P598 VanDerWaalsContact OG1-CD 3.26Å; T549-P598 WeakPolarHBondContact OG1-CD 3.35Å; T549-A614 HydrophobicContact CG2-CB 4.12Å; T549-A614 WeakPolarHBondContact CG2-O 3.17Å; T549-A614 PolarHBondContact OG1-O 3.22Å; T549-A614 VanDerWaalsContact OG1-O 3.13Å; T549-I616 HydrophobicContact CG2-CB 4.47Å; T549-I616 HydrophobicContact CG2-CD1 3.64Å; T549-I616 HydrophobicContact CG2-CG1 3.85Å
550A97.6Very high95.6Very high0 Ų025 Ų250%014%0.138CC..EExtended strand (participates in β ladder)trans-155.3169.7171.800000111.8P578 V580 I596 L613A550-P578 VanDerWaalsContact CA-O 3.28Å; A550-P578 WeakPolarHBondContact CA-O 3.14Å; A550-P578 HydrophobicContact CB-CG 4.19Å; A550-P578 WeakPolarHBondContact CB-O 3.22Å; A550-V580 HydrophobicContact CB-CG1 4.29Å; A550-V580 HydrophobicContact CB-CG2 4.29Å; A550-I596 HydrophobicContact CB-CB 4.13Å; A550-I596 HydrophobicContact CB-CG1 4.43Å; A550-I596 PolarHBondContact O-N 3.18Å; A550-L613 HydrophobicContact CB-CD1 3.52Å; A550-L613 HydrophobicContact CB-CD2 4.09Å; A550-L613 HydrophobicContact CB-CG 4.47Å
551V97.5Very high95.4Very high0 Ų026.4 Ų26.40%014%0.141CC..EExtended strand (participates in β ladder)trans-115.3126.7159.9174.10000107.7Y526 V535 V537 V568 P578 I579 V580 A593 V594Y526-V551 HydrophobicContact CD2-CG2 3.74Å; Y526-V551 HydrophobicContact CE2-CG2 4.07Å; V535-V551 HydrophobicContact CG1-CG1 4.05Å; V537-V551 HydrophobicContact CG1-CG1 3.77Å; V537-V551 HydrophobicContact CG1-CG2 4.2Å; V551-V568 HydrophobicContact CG2-CG2 3.8Å; V551-P578 PolarHBondContact N-O 3.42Å; V551-I579 CarbonylContact O-C 3.46Å; V551-I579 VanDerWaalsContact O-CA 3.25Å; V551-I579 WeakPolarHBondContact O-CA 3.39Å; V551-V580 PolarHBondContact O-N 2.89Å; V551-A593 HydrophobicContact CG1-CB 4.23Å; V551-V594 CarbonylContact C-O 3.47Å; V551-V594 WeakPolarHBondContact CA-O 3.23Å
552A96.6Very high95.3Very high0 Ų029.3 Ų29.30%016%0.156CC..EExtended strand (participates in β ladder)trans-97.7138.8175.600000110.9V580 V585 A593 V594 I596A552-V580 WeakPolarHBondContact CA-O 3.48Å; A552-V580 HydrophobicContact CB-CG2 3.77Å; A552-V585 HydrophobicContact CB-CG2 3.59Å; A552-A593 WeakPolarHBondContact O-CA 3.4Å; A552-V594 PolarHBondContact N-O 3.27Å; A552-V594 PolarHBondContact O-N 2.73Å; A552-I596 HydrophobicContact CB-CD1 3.67Å; A552-I596 HydrophobicContact CB-CG1 3.66Å
553V96.1Very high95.1Very high0 Ų029.3 Ų29.30%016%0.156CC..EExtended strand (participates in β ladder)trans-131.7154.3170.5-59.50000109.5Y560 I579 V580 L581 D582 A593V553-Y560 HydrophobicContact CB-CD2 4.05Å; V553-Y560 HydrophobicContact CB-CG 4.2Å; V553-Y560 HydrophobicContact CG1-CD1 4.41Å; V553-Y560 HydrophobicContact CG1-CD2 3.83Å; V553-Y560 HydrophobicContact CG1-CE2 4.47Å; V553-Y560 HydrophobicContact CG1-CG 3.79Å; V553-I579 HydrophobicContact CG1-CG2 4.39Å; V553-I579 HydrophobicContact CG2-CG2 4.03Å; V553-V580 PolarHBondContact N-O 3.34Å; V553-L581 HydrophobicContact CG2-CD2 3.33Å; V553-L581 WeakPolarHBondContact O-CA 3.2Å; V553-D582 PolarHBondContact O-N 3.25Å; V553-A593 HydrophobicContact CG1-CB 3.68Å
554H95.4Very high94.9Very high43 Ų4336 Ų3620%0.19919%0.186CC..  trans-70.6136.3-178.2-171.7-92.3000111.4A556 D557 V585 M587H554-A556 WeakPolarHBondContact ND1-CB 3.35Å; H554-A556 PolarHBondContact ND1-N 2.66Å; H554-A556 PolarHBondContact O-N 3.16Å; H554-D557 HydrophobicContact CB-CB 4.2Å; H554-D557 WeakPolarHBondContact O-CB 3.49Å; H554-D557 PolarHBondContact O-N 3.06Å; H554-V585 HydrophobicContact CB-CB 4.17Å; H554-V585 HydrophobicContact CB-CG1 4.38Å; H554-V585 WeakPolarHBondContact CB-O 3.45Å; H554-V585 PolarHBondContact CD2-O 3.49Å; H554-M587 HydrophobicContact CB-CG 3.48Å; H554-M587 VanDerWaalsContact CB-CG 3.48Å; H554-M587 HydrophobicContact CB-SD 4.18Å; H554-M587 PolarHBondContact ND1-SD 2.84Å; H554-M587 VanDerWaalsContact ND1-SD 3.39Å
555P93.6Very high94.5Very high55 Ų5538.7 Ų38.736%0.35721%0.214SC..THydrogen-bonded Turntrans-60.9-18.6-178.5-22.429.5000115.2Q561 L581 D582P555-Q561 VanDerWaalsContact C-NE2 3.26Å; P555-Q561 PolarHBondContact O-NE2 2.99Å; P555-L581 HydrophobicContact CB-CB 4.26Å; P555-L581 HydrophobicContact CG-CB 4.04Å; P555-D582 VanDerWaalsContact CD-C 3.46Å; P555-D582 WeakPolarHBondContact CD-O 3.32Å
556A93.3Very high94.5Very high66 Ų6643.8 Ų43.855%0.54524%0.236SC..THydrogen-bonded Turntrans-102.64.1176.900000113.9H554 P558 M587H554-A556 WeakPolarHBondContact ND1-CB 3.35Å; H554-A556 PolarHBondContact ND1-N 2.66Å; H554-A556 PolarHBondContact O-N 3.16Å; A556-P558 WeakPolarHBondContact O-CD 3.47Å; A556-M587 HydrophobicContact CB-SD 4.42Å
557D94.8Very high94.5Very high1 Ų148.1 Ų48.11%0.00526%0.255CS..  trans-80.2109.5-178.8-165.1-25.1000111.6H554 R559 Y560 Q561 M587H554-D557 HydrophobicContact CB-CB 4.2Å; H554-D557 WeakPolarHBondContact O-CB 3.49Å; H554-D557 PolarHBondContact O-N 3.06Å; D557-R559 PolarHBondContact O-N 3.34Å; D557-R559 VanDerWaalsContact O-N 3.15Å; D557-R559 VanDerWaalsContact OD1-CB 3.26Å; D557-R559 WeakPolarHBondContact OD1-CB 3.36Å; D557-R559 WeakPolarHBondContact OD1-CG 3.35Å; D557-R559 IonicContact OD1-CZ 3.67Å; D557-R559 PolarHBondContact OD1-N 3.33Å; D557-R559 IonicContact OD1-NE 3.17Å; D557-R559 PolarHBondContact OD1-NE 3.37Å; D557-R559 IonicContact OD1-NH2 3.5Å; D557-R559 IonicContact OD2-CZ 3Å; D557-R559 VanDerWaalsContact OD2-CZ 3.3Å; D557-R559 IonicContact OD2-NE 2.65Å; D557-R559 PolarHBondContact OD2-NE 2.72Å; D557-R559 VanDerWaalsContact OD2-NE 3.14Å; D557-R559 IonicContact OD2-NH2 2.88Å; D557-R559 PolarHBondContact OD2-NH2 2.79Å; D557-Y560 HydrophobicContact CB-CD2 4.35Å; D557-Y560 PolarHBondContact O-N 3.24Å; D557-Q561 WeakPolarHBondContact O-CG 3.28Å; D557-Q561 PolarHBondContact O-N 3.12Å; D557-Q561 PolarHBondContact O-NE2 3.48Å; D557-M587 HydrophobicContact CB-CE 3.87Å; D557-M587 HydrophobicContact CB-CG 4.01Å; D557-M587 HydrophobicContact CB-SD 4.07Å
558P93.1Very high94.6Very high102 Ų10248.1 Ų48.166%0.66226%0.255SS*.THydrogen-bonded Turntrans-65.2-19.5-177.129-35.8000112.6A556 Y560A556-P558 WeakPolarHBondContact O-CD 3.47Å; P558-Y560 VanDerWaalsContact C-N 3.27Å; P558-Y560 PolarHBondContact O-N 3.19Å
559R93.8Very high94.5Very high119 Ų11951.1 Ų51.145%0.44927%0.27SS..THydrogen-bonded Turntrans-68.4-24.7-179.6-61.1175.2-68.7-174.4-3113.2D557 H562 M587 T591D557-R559 PolarHBondContact O-N 3.34Å; D557-R559 VanDerWaalsContact O-N 3.15Å; D557-R559 VanDerWaalsContact OD1-CB 3.26Å; D557-R559 WeakPolarHBondContact OD1-CB 3.36Å; D557-R559 WeakPolarHBondContact OD1-CG 3.35Å; D557-R559 IonicContact OD1-CZ 3.67Å; D557-R559 PolarHBondContact OD1-N 3.33Å; D557-R559 IonicContact OD1-NE 3.17Å; D557-R559 PolarHBondContact OD1-NE 3.37Å; D557-R559 IonicContact OD1-NH2 3.5Å; D557-R559 IonicContact OD2-CZ 3Å; D557-R559 VanDerWaalsContact OD2-CZ 3.3Å; D557-R559 IonicContact OD2-NE 2.65Å; D557-R559 PolarHBondContact OD2-NE 2.72Å; D557-R559 VanDerWaalsContact OD2-NE 3.14Å; D557-R559 IonicContact OD2-NH2 2.88Å; D557-R559 PolarHBondContact OD2-NH2 2.79Å; R559-H562 PolarHBondContact O-CE1 3.32Å; R559-M587 PolarHBondContact NH2-O 3.13Å; R559-T591 PolarHBondContact NH1-O 2.88Å
560Y94.1Very high94.5Very high31 Ų3151 Ų5112%0.12227%0.269CS..THydrogen-bonded Turntrans-126.11.8-171.4-55.7-66000114.2V535 V553 D557 P558 H562 L563 T591 A593V535-Y560 HydrophobicContact CG1-CE1 4.43Å; V553-Y560 HydrophobicContact CB-CD2 4.05Å; V553-Y560 HydrophobicContact CB-CG 4.2Å; V553-Y560 HydrophobicContact CG1-CD1 4.41Å; V553-Y560 HydrophobicContact CG1-CD2 3.83Å; V553-Y560 HydrophobicContact CG1-CE2 4.47Å; V553-Y560 HydrophobicContact CG1-CG 3.79Å; D557-Y560 HydrophobicContact CB-CD2 4.35Å; D557-Y560 PolarHBondContact O-N 3.24Å; P558-Y560 VanDerWaalsContact C-N 3.27Å; P558-Y560 PolarHBondContact O-N 3.19Å; Y560-H562 VanDerWaalsContact C-N 3.25Å; Y560-H562 PolarHBondContact O-N 3.21Å; Y560-L563 HydrophobicContact CD1-CD1 3.9Å; Y560-L563 VanDerWaalsContact O-CB 3.32Å; Y560-L563 WeakPolarHBondContact O-CB 3.38Å; Y560-L563 PolarHBondContact O-N 2.99Å; Y560-T591 WeakPolarHBondContact CE2-O 3.12Å; Y560-T591 PolarHBondContact OH-O 3.31Å; Y560-A593 HydrophobicContact CE1-CB 4.46Å; Y560-A593 HydrophobicContact CE2-CB 4.12Å
561Q91.1Very high94.3Very high73 Ų7352 Ų5234%0.34128%0.276SS..G310 helixtrans-56.9-36.9-179.1-75-54.4-58.100113.7P555 D557 L563 K564P555-Q561 VanDerWaalsContact C-NE2 3.26Å; P555-Q561 PolarHBondContact O-NE2 2.99Å; D557-Q561 WeakPolarHBondContact O-CG 3.28Å; D557-Q561 PolarHBondContact O-N 3.12Å; D557-Q561 PolarHBondContact O-NE2 3.48Å; Q561-L563 PolarHBondContact O-N 3.16Å; Q561-K564 WeakPolarHBondContact O-CB 3.29Å; Q561-K564 PolarHBondContact O-N 3.02Å
562H93.1Very high94.2Very high103 Ų10353.2 Ų53.248%0.47728%0.281SS..G310 helixtrans-67.3-13.7179.465.4-70.4000113.1E533 R559 Y560E533-H562 IonicContact OE1-CD2 3.91Å; E533-H562 IonicContact OE1-CE1 3.98Å; E533-H562 IonicContact OE1-NE2 2.8Å; E533-H562 PolarHBondContact OE1-NE2 2.85Å; E533-H562 IonicContact OE2-CD2 2.65Å; E533-H562 IonicContact OE2-NE2 3.23Å; R559-H562 PolarHBondContact O-CE1 3.32Å; Y560-H562 VanDerWaalsContact C-N 3.25Å; Y560-H562 PolarHBondContact O-N 3.21Å
563L91.6Very high93.9Very high3 Ų355.2 Ų55.22%0.01629%0.294CS..G310 helixtrans-90.12.3177.8-59179.1000113.6V528 V535 Y560 Q561 G565 K566 I579V528-L563 HydrophobicContact CG2-CD2 4.17Å; V535-L563 HydrophobicContact CG2-CD1 3.61Å; Y560-L563 HydrophobicContact CD1-CD1 3.9Å; Y560-L563 VanDerWaalsContact O-CB 3.32Å; Y560-L563 WeakPolarHBondContact O-CB 3.38Å; Y560-L563 PolarHBondContact O-N 2.99Å; Q561-L563 PolarHBondContact O-N 3.16Å; L563-G565 PolarHBondContact O-N 2.88Å; L563-K566 VanDerWaalsContact O-CB 3.25Å; L563-K566 WeakPolarHBondContact O-CB 3.2Å; L563-K566 WeakPolarHBondContact O-CG 3.25Å; L563-K566 PolarHBondContact O-N 2.9Å; L563-I579 HydrophobicContact CB-CD1 3.73Å; L563-I579 HydrophobicContact CB-CG2 4.4Å; L563-I579 HydrophobicContact CD1-CD1 4.03Å; L563-I579 HydrophobicContact CG-CD1 4.33Å
564K91.3Very high93.6Very high146 Ų14665 Ų6564%0.63534%0.34SS*.THydrogen-bonded Turntrans-56.5126.2176.4-174178.6-175.4174.20111.2Q561 K566 L581Q561-K564 WeakPolarHBondContact O-CB 3.29Å; Q561-K564 PolarHBondContact O-N 3.02Å; K564-K566 PolarHBondContact O-N 3.1Å; K564-L581 HydrophobicContact CB-CD1 4.31Å; K564-L581 HydrophobicContact CD-CD1 3.77Å; K564-L581 HydrophobicContact CG-CD1 3.86Å; K564-L581 HydrophobicContact CG-CG 4.44Å
565G89Confident93.5Very high59 Ų5965.3 Ų65.361%0.60834%0.34SS*.THydrogen-bonded Turntrans73.17.4-179.700000114.4L563L563-G565 PolarHBondContact O-N 2.88Å
566K95.8Very high93.6Very high107 Ų10768.4 Ų68.447%0.46535%0.347SS..  trans-86166.5171.1-58.6-65.4-174.6172.60110.6V528 L563 K564 I579V528-K566 HydrophobicContact CG1-CB 4.45Å; L563-K566 VanDerWaalsContact O-CB 3.25Å; L563-K566 WeakPolarHBondContact O-CB 3.2Å; L563-K566 WeakPolarHBondContact O-CG 3.25Å; L563-K566 PolarHBondContact O-N 2.9Å; K564-K566 PolarHBondContact O-N 3.1Å; K566-I579 HydrophobicContact CB-CD1 4.27Å; K566-I579 PolarHBondContact O-N 3.14Å
567F97.1Very high93.8Very high92 Ų9265.3 Ų65.340%0.40432%0.322SS..EExtended strand (participates in β ladder)trans-120.6152.2178.1-64.8-97.4000109.5D529 K576 M577 P578D529-F567 HydrophobicContact CB-CB 4.12Å; D529-F567 PolarHBondContact N-O 3.16Å; F567-K576 HydrophobicContact CB-CB 4.49Å; F567-K576 HydrophobicContact CD1-CB 4.33Å; F567-M577 CarbonylContact C-O 3.59Å; F567-M577 VanDerWaalsContact CA-O 3.26Å; F567-M577 WeakPolarHBondContact CA-O 3.42Å; F567-P578 HydrophobicContact CD1-CB 4.12Å; F567-P578 HydrophobicContact CE1-CB 3.89Å
568V97Very high93.9Very high0 Ų067 Ų670%033%0.333CS..EExtended strand (participates in β ladder)trans-113.2155.6167-59.30000111.2Y526 K527 V528 V535 V551 M577 I579Y526-V568 HydrophobicContact CG-CG2 4.13Å; K527-V568 CarbonylContact O-C 3.57Å; K527-V568 WeakPolarHBondContact O-CA 3.46Å; K527-V568 WeakPolarHBondContact O-CB 3.49Å; V528-V568 HydrophobicContact CG2-CG1 4.39Å; V535-V568 HydrophobicContact CB-CG1 4.4Å; V535-V568 HydrophobicContact CG2-CG1 3.98Å; V551-V568 HydrophobicContact CG2-CG2 3.8Å; V568-M577 HydrophobicContact CG2-CB 3.96Å; V568-M577 HydrophobicContact CG2-CE 3.76Å; V568-M577 PolarHBondContact N-O 3.24Å; V568-M577 PolarHBondContact O-N 3.42Å; V568-I579 HydrophobicContact CG1-CD1 3.71Å; V568-I579 HydrophobicContact CG1-CG1 3.87Å
569L96.4Very high94.1Very high62 Ų6262.5 Ų62.533%0.32530%0.303SS..EExtended strand (participates in β ladder)trans-98.5130.8-178.4-58.8179.5000111Y526 K527 D529 K576Y526-L569 WeakPolarHBondContact CD1-O 3.47Å; K527-L569 PolarHBondContact O-N 3.39Å; D529-L569 HydrophobicContact CB-CD2 4Å; D529-L569 HydrophobicContact CB-CG 4.24Å; L569-K576 HydrophobicContact CD2-CD 4.48Å; L569-K576 HydrophobicContact CD2-CG 3.88Å
570H96.1Very high94.2Very high9 Ų957.5 Ų57.54%0.04229%0.286CS..  trans-71.3128.4175.2-172.1-77000111.2M545 L546 F572 C573 R575 M577M545-H570 WeakPolarHBondContact CE-CE1 3.49Å; M545-H570 WeakPolarHBondContact CE-NE2 3.32Å; M545-H570 PolarHBondContact O-NE2 2.91Å; L546-H570 WeakPolarHBondContact CA-NE2 3.22Å; H570-F572 VanDerWaalsContact C-N 3.25Å; H570-F572 PolarHBondContact ND1-N 2.89Å; H570-F572 PolarHBondContact O-N 3.48Å; H570-F572 VanDerWaalsContact O-N 3.11Å; H570-C573 VanDerWaalsContact CG-SG 3.58Å; H570-C573 PolarHBondContact ND1-N 2.95Å; H570-C573 PolarHBondContact ND1-SG 3.44Å; H570-R575 HydrophobicContact CB-CB 3.95Å; H570-R575 WeakPolarHBondContact CB-O 3.45Å; H570-R575 PolarHBondContact N-O 3.49Å; H570-M577 HydrophobicContact CB-CE 4.1Å; H570-M577 HydrophobicContact CB-SD 4.31Å
571P93.5Very high94.3Very high22 Ų2257.8 Ų57.814%0.14329%0.289CS..THydrogen-bonded Turntrans-59-26.9-173.5-31.135.7000116.6Y526 L648 R651Y526-P571 HydrophobicContact CD1-CG 4.15Å; Y526-P571 HydrophobicContact CE1-CG 4.01Å; P571-L648 HydrophobicContact CB-CD2 4.25Å; P571-L648 HydrophobicContact CG-CD2 4.12Å; P571-R651 PolarHBondContact O-NE 2.92Å
572F94.9Very high94.5Very high25 Ų2554.6 Ų54.611%0.1127%0.274CS..THydrogen-bonded Turntrans-117.3-3.5-169.5-51.7-59.6000114.7M545 L546 H570 P629 F632 V644 A647 L648M545-F572 HydrophobicContact CE-CD2 3.92Å; M545-F572 HydrophobicContact CE-CE2 4.13Å; M545-F572 HydrophobicContact SD-CD2 4Å; M545-F572 HydrophobicContact SD-CE2 3.58Å; M545-F572 VanDerWaalsContact SD-CE2 3.58Å; L546-F572 HydrophobicContact CD2-CB 4.45Å; L546-F572 HydrophobicContact CD2-CD2 3.66Å; L546-F572 HydrophobicContact CD2-CE2 4.35Å; L546-F572 HydrophobicContact CD2-CG 4.38Å; H570-F572 VanDerWaalsContact C-N 3.25Å; H570-F572 PolarHBondContact ND1-N 2.89Å; H570-F572 PolarHBondContact O-N 3.48Å; H570-F572 VanDerWaalsContact O-N 3.11Å; F572-P629 HydrophobicContact CB-CG 4.02Å; F572-P629 VanDerWaalsContact O-CG 3.32Å; F572-P629 WeakPolarHBondContact O-CG 3.27Å; F572-F632 HydrophobicContact CB-CE2 4.06Å; F572-F632 HydrophobicContact CD1-CE2 4.03Å; F572-F632 HydrophobicContact CD1-CZ 4.17Å; F572-F632 AromaticContact CD2-CE2 4Å; F572-F632 HydrophobicContact CD2-CE2 4Å; F572-F632 HydrophobicContact CD2-CZ 4.32Å; F572-F632 HydrophobicContact CE1-CE2 4.48Å; F572-F632 HydrophobicContact CE1-CZ 4.18Å; F572-F632 HydrophobicContact CE2-CE2 4.44Å; F572-F632 HydrophobicContact CE2-CZ 4.31Å; F572-F632 AromaticContact CG-CE2 3.75Å; F572-F632 HydrophobicContact CG-CE2 3.75Å; F572-F632 HydrophobicContact CG-CZ 4.24Å; F572-F632 HydrophobicContact CZ-CZ 4.23Å; F572-V644 HydrophobicContact CE2-CG1 4.06Å; F572-A647 HydrophobicContact CE1-CB 3.61Å; F572-A647 HydrophobicContact CZ-CB 3.77Å; F572-L648 HydrophobicContact CE2-CD2 4Å; F572-L648 HydrophobicContact CE2-CG 4.22Å; F572-L648 HydrophobicContact CZ-CD2 3.71Å; F572-L648 HydrophobicContact CZ-CG 3.82Å
573C91.6Very high94.5Very high41 Ų4155.6 Ų55.628%0.27728%0.283SS..SBendtrans-152.4165.2178.871.10000111.1H570 R575 P629H570-C573 VanDerWaalsContact CG-SG 3.58Å; H570-C573 PolarHBondContact ND1-N 2.95Å; H570-C573 PolarHBondContact ND1-SG 3.44Å; C573-R575 PolarHBondContact O-N 3.12Å; C573-R575 VanDerWaalsContact SG-CB 3.53Å; C573-P629 HydrophobicContact CB-CG 4.38Å
574E88.9Confident94.5Very high205 Ų20559.2 Ų59.296%0.95830%0.299SS*.SBendtrans-76.330.4-176.9-58.9-173.8165.900113.9
575R94.4Very high94.6Very high51 Ų5152.3 Ų52.319%0.19227%0.269CS..  trans-87.3124.5-178.3-170.8-175.6-57.3149.28.7110.6L546 D548 H570 C573 M577L546-R575 PolarHBondContact O-NH1 3.47Å; D548-R575 VanDerWaalsContact O-CD 3.24Å; D548-R575 WeakPolarHBondContact O-CD 3.42Å; D548-R575 PolarHBondContact O-NH1 3.15Å; H570-R575 HydrophobicContact CB-CB 3.95Å; H570-R575 WeakPolarHBondContact CB-O 3.45Å; H570-R575 PolarHBondContact N-O 3.49Å; C573-R575 PolarHBondContact O-N 3.12Å; C573-R575 VanDerWaalsContact SG-CB 3.53Å; R575-M577 HydrophobicContact CG-CG 3.98Å
576K95.6Very high94.8Very high120 Ų12053.8 Ų53.852%0.52226%0.263SS..EExtended strand (participates in β ladder)trans-91.1127.4165.5-60.7-166.8175.7-1640109.3D529 F567 L569D529-K576 IonicContact OD1-NZ 3.19Å; D529-K576 PolarHBondContact OD1-NZ 2.93Å; D529-K576 WeakPolarHBondContact OD2-CD 3.22Å; D529-K576 WeakPolarHBondContact OD2-CE 3.44Å; D529-K576 IonicContact OD2-NZ 3.68Å; D529-K576 PolarHBondContact OD2-NZ 2.89Å; F567-K576 HydrophobicContact CB-CB 4.49Å; F567-K576 HydrophobicContact CD1-CB 4.33Å; L569-K576 HydrophobicContact CD2-CD 4.48Å; L569-K576 HydrophobicContact CD2-CG 3.88Å
577M96.8Very high94.6Very high0 Ų051.3 Ų51.30%025%0.254CS..EExtended strand (participates in β ladder)trans-117.9123.4-174.7-59.9-177.6-58.400109.5Y526 D548 F567 V568 H570 R575Y526-M577 HydrophobicContact CD1-CE 3.76Å; Y526-M577 HydrophobicContact CE1-CE 3.46Å; Y526-M577 VanDerWaalsContact CE1-CE 3.46Å; Y526-M577 HydrophobicContact CE2-CE 4.3Å; Y526-M577 HydrophobicContact CG-CE 4.33Å; D548-M577 VanDerWaalsContact C-SD 3.52Å; D548-M577 HydrophobicContact CB-CE 4.34Å; D548-M577 HydrophobicContact CB-SD 3.55Å; D548-M577 VanDerWaalsContact CB-SD 3.55Å; F567-M577 CarbonylContact C-O 3.59Å; F567-M577 VanDerWaalsContact CA-O 3.26Å; F567-M577 WeakPolarHBondContact CA-O 3.42Å; V568-M577 HydrophobicContact CG2-CB 3.96Å; V568-M577 HydrophobicContact CG2-CE 3.76Å; V568-M577 PolarHBondContact N-O 3.24Å; V568-M577 PolarHBondContact O-N 3.42Å; H570-M577 HydrophobicContact CB-CE 4.1Å; H570-M577 HydrophobicContact CB-SD 4.31Å; R575-M577 HydrophobicContact CG-CG 3.98Å
578P97.4Very high94.4Very high37 Ų3754 Ų5424%0.2427%0.272CS..EExtended strand (participates in β ladder)trans-63149.6177.625.7-36.4000112.2T549 A550 V551 F567 V580 L613T549-P578 VanDerWaalsContact O-CD 3.32Å; T549-P578 WeakPolarHBondContact O-CD 3.33Å; A550-P578 VanDerWaalsContact CA-O 3.28Å; A550-P578 WeakPolarHBondContact CA-O 3.14Å; A550-P578 HydrophobicContact CB-CG 4.19Å; A550-P578 WeakPolarHBondContact CB-O 3.22Å; V551-P578 PolarHBondContact N-O 3.42Å; F567-P578 HydrophobicContact CD1-CB 4.12Å; F567-P578 HydrophobicContact CE1-CB 3.89Å; P578-V580 HydrophobicContact CB-CG1 4.39Å; P578-V580 HydrophobicContact CG-CG1 4.45Å; P578-L613 HydrophobicContact CG-CD2 4.13Å
579I96.9Very high94Very high8 Ų859 Ų594%0.04129%0.294CS..EExtended strand (participates in β ladder)trans-91.1113.3163.3-58.5173.4000107.9V535 V551 V553 L563 K566 V568V535-I579 HydrophobicContact CG2-CD1 4.1Å; V551-I579 CarbonylContact O-C 3.46Å; V551-I579 VanDerWaalsContact O-CA 3.25Å; V551-I579 WeakPolarHBondContact O-CA 3.39Å; V553-I579 HydrophobicContact CG1-CG2 4.39Å; V553-I579 HydrophobicContact CG2-CG2 4.03Å; L563-I579 HydrophobicContact CB-CD1 3.73Å; L563-I579 HydrophobicContact CB-CG2 4.4Å; L563-I579 HydrophobicContact CD1-CD1 4.03Å; L563-I579 HydrophobicContact CG-CD1 4.33Å; K566-I579 HydrophobicContact CB-CD1 4.27Å; K566-I579 PolarHBondContact O-N 3.14Å; V568-I579 HydrophobicContact CG1-CD1 3.71Å; V568-I579 HydrophobicContact CG1-CG1 3.87Å
580V96.5Very high93.5Very high14 Ų1458.2 Ų58.29%0.08530%0.301CS..EExtended strand (participates in β ladder)trans-101147.1-178.6-60.80000111.1A550 V551 A552 V553 P578 V607 H611 L613A550-V580 HydrophobicContact CB-CG1 4.29Å; A550-V580 HydrophobicContact CB-CG2 4.29Å; V551-V580 PolarHBondContact O-N 2.89Å; A552-V580 WeakPolarHBondContact CA-O 3.48Å; A552-V580 HydrophobicContact CB-CG2 3.77Å; V553-V580 PolarHBondContact N-O 3.34Å; P578-V580 HydrophobicContact CB-CG1 4.39Å; P578-V580 HydrophobicContact CG-CG1 4.45Å; V580-V607 HydrophobicContact CG2-CG1 4.43Å; V580-H611 HydrophobicContact CG1-CB 4.22Å; V580-L613 HydrophobicContact CG1-CD2 4.39Å
581L95.1Very high93.2Very high36 Ų3658.9 Ų58.919%0.18831%0.306CS..EExtended strand (participates in β ladder)trans-99.8113.9174.4-56.8-174.1000108.7V553 P555 K564 H611V553-L581 HydrophobicContact CG2-CD2 3.33Å; V553-L581 WeakPolarHBondContact O-CA 3.2Å; P555-L581 HydrophobicContact CB-CB 4.26Å; P555-L581 HydrophobicContact CG-CB 4.04Å; K564-L581 HydrophobicContact CB-CD1 4.31Å; K564-L581 HydrophobicContact CD-CD1 3.77Å; K564-L581 HydrophobicContact CG-CD1 3.86Å; K564-L581 HydrophobicContact CG-CG 4.44Å; L581-H611 PolarHBondContact O-CE1 3.13Å
582D95.1Very high93Very high7 Ų757.8 Ų57.84%0.03730%0.299CS..  trans-141.3133.7-177.2-161.5-76.6000111.1V553 P555 F584 V585 R610 H611V553-D582 PolarHBondContact O-N 3.25Å; P555-D582 VanDerWaalsContact CD-C 3.46Å; P555-D582 WeakPolarHBondContact CD-O 3.32Å; D582-F584 PolarHBondContact O-N 3.29Å; D582-F584 WeakPolarHBondContact OD1-CB 3.43Å; D582-F584 PolarHBondContact OD1-N 3.17Å; D582-V585 PolarHBondContact O-N 2.89Å; D582-R610 IonicContact OD1-CZ 3.31Å; D582-R610 IonicContact OD1-NE 2.75Å; D582-R610 IonicContact OD1-NH2 3.78Å; D582-R610 PolarHBondContact OD1-NH2 3.23Å; D582-R610 IonicContact OD2-CZ 3.85Å; D582-R610 IonicContact OD2-NE 2.88Å; D582-R610 PolarHBondContact OD2-NE 2.93Å; D582-R610 IonicContact OD2-NH2 3.18Å; D582-R610 PolarHBondContact OD2-NH2 3.15Å; D582-H611 IonicContact OD2-CD2 2.68Å; D582-H611 PolarHBondContact OD2-CD2 3.04Å; D582-H611 IonicContact OD2-CE1 3.26Å; D582-H611 IonicContact OD2-NE2 3.71Å; D582-H611 PolarHBondContact OD2-NE2 3.2Å
583D92.8Very high92.9Very high123 Ų12356.7 Ų56.766%0.65830%0.295SS*.THydrogen-bonded Turntrans-75.1-8.2-175.462-14000113.6V585D583-V585 PolarHBondContact O-N 3.13Å
584F92.6Very high93.1Very high79 Ų7956.4 Ų56.435%0.34629%0.292SS..THydrogen-bonded Turntrans-57.4-29.3166.4165.4-109.8000113.1D582 D586 N603 V607D582-F584 PolarHBondContact O-N 3.29Å; D582-F584 WeakPolarHBondContact OD1-CB 3.43Å; D582-F584 PolarHBondContact OD1-N 3.17Å; F584-D586 PolarHBondContact O-N 3.27Å; F584-N603 HydrophobicContact CD2-CB 4.33Å; F584-N603 HydrophobicContact CE1-CB 4.03Å; F584-N603 HydrophobicContact CE2-CB 3.47Å; F584-N603 VanDerWaalsContact CE2-CB 3.47Å; F584-N603 HydrophobicContact CZ-CB 3.3Å; F584-V607 HydrophobicContact CB-CG2 4.3Å; F584-V607 HydrophobicContact CD1-CG2 3.79Å; F584-V607 HydrophobicContact CE1-CG2 4.49Å; F584-V607 HydrophobicContact CG-CG2 4.2Å
585V93.4Very high93.4Very high2 Ų247.2 Ų47.21%0.01225%0.249CC..SBendtrans-75.8118.6-173.7179.40000111.3A552 H554 D582 D583 M587 G592 V594A552-V585 HydrophobicContact CB-CG2 3.59Å; H554-V585 HydrophobicContact CB-CB 4.17Å; H554-V585 HydrophobicContact CB-CG1 4.38Å; H554-V585 WeakPolarHBondContact CB-O 3.45Å; H554-V585 PolarHBondContact CD2-O 3.49Å; D582-V585 PolarHBondContact O-N 2.89Å; D583-V585 PolarHBondContact O-N 3.13Å; V585-M587 PolarHBondContact O-N 3.35Å; V585-G592 VanDerWaalsContact CG1-O 3.32Å; V585-G592 WeakPolarHBondContact CG1-O 3.21Å; V585-V594 HydrophobicContact CG1-CG2 4.03Å; V585-V594 HydrophobicContact CG2-CG2 4.35Å
586D92.1Very high93.6Very high89 Ų8944.8 Ų44.848%0.47624%0.239SC..  trans-76.4114.6170.1-176.1-5.5000110.9F584 N588 F589F584-D586 PolarHBondContact O-N 3.27Å; D586-N588 PolarHBondContact O-N 2.94Å; D586-N588 WeakPolarHBondContact OD1-CB 3.38Å; D586-N588 PolarHBondContact OD1-N 2.73Å; D586-F589 HydrophobicContact CB-CB 3.94Å; D586-F589 PolarHBondContact O-N 3.46Å
587M93.6Very high93.7Very high55 Ų5539.1 Ų39.127%0.27122%0.215SC..THydrogen-bonded Turntrans-57.7-28.5177.5-66.3177.551.500113.4H554 A556 D557 R559 V585H554-M587 HydrophobicContact CB-CG 3.48Å; H554-M587 VanDerWaalsContact CB-CG 3.48Å; H554-M587 HydrophobicContact CB-SD 4.18Å; H554-M587 PolarHBondContact ND1-SD 2.84Å; H554-M587 VanDerWaalsContact ND1-SD 3.39Å; A556-M587 HydrophobicContact CB-SD 4.42Å; D557-M587 HydrophobicContact CB-CE 3.87Å; D557-M587 HydrophobicContact CB-CG 4.01Å; D557-M587 HydrophobicContact CB-SD 4.07Å; R559-M587 PolarHBondContact NH2-O 3.13Å; V585-M587 PolarHBondContact O-N 3.35Å
588N91.4Very high93.6Very high149 Ų14939.1 Ų39.180%0.79722%0.215SC*.THydrogen-bonded Turntrans-91.4-10.9-175.6-57.9-58.4000113.1D586D586-N588 PolarHBondContact O-N 2.94Å; D586-N588 WeakPolarHBondContact OD1-CB 3.38Å; D586-N588 PolarHBondContact OD1-N 2.73Å
589F88.2Confident93.4Very high104 Ų10437.4 Ų37.446%0.45620%0.204SC..SBendtrans-94.5130.9-179-172.1-99.8000111.7L521 D586 T591 G592L521-F589 HydrophobicContact CD1-CE1 4.43Å; L521-F589 HydrophobicContact CD1-CZ 4.47Å; L521-F589 HydrophobicContact CD2-CE1 4.45Å; L521-F589 HydrophobicContact CD2-CZ 4.28Å; D586-F589 HydrophobicContact CB-CB 3.94Å; D586-F589 PolarHBondContact O-N 3.46Å; F589-T591 PolarHBondContact O-N 3.38Å; F589-T591 VanDerWaalsContact O-N 3.13Å; F589-G592 PolarHBondContact O-N 3.35Å
590G87Confident93.3Very high46 Ų4637.1 Ų37.147%0.47420%0.202SC..THydrogen-bonded Turntrans57.1-117.3-179.100000111.8
591T88.7Confident93.2Very high23 Ų2338.9 Ų38.914%0.14121%0.211CC..THydrogen-bonded Turntrans-100.7-4.5179.959.10000113.4I536 R559 Y560 F589 A593I536-T591 HydrophobicContact CB-CG2 4.02Å; I536-T591 HydrophobicContact CG2-CG2 3.65Å; I536-T591 WeakPolarHBondContact O-CB 3.46Å; I536-T591 WeakPolarHBondContact O-CG2 3.21Å; I536-T591 PolarHBondContact O-OG1 3.34Å; R559-T591 PolarHBondContact NH1-O 2.88Å; Y560-T591 WeakPolarHBondContact CE2-O 3.12Å; Y560-T591 PolarHBondContact OH-O 3.31Å; F589-T591 PolarHBondContact O-N 3.38Å; F589-T591 VanDerWaalsContact O-N 3.13Å; T591-A593 PolarHBondContact O-N 2.94Å; T591-A593 PolarHBondContact OG1-N 3.13Å; T591-A593 PolarHBondContact OG1-O 2.99Å; T591-A593 VanDerWaalsContact OG1-O 3.14Å
592G89.2Confident92.9Very high0 Ų040.5 Ų40.50%022%0.218CC..SBendtrans73.38.4-166.600000114.4V585 F589V585-G592 VanDerWaalsContact CG1-O 3.32Å; V585-G592 WeakPolarHBondContact CG1-O 3.21Å; F589-G592 PolarHBondContact O-N 3.35Å
593A94.1Very high92.7Very high2 Ų243.7 Ų43.72%0.01724%0.235CC..EExtended strand (participates in β ladder)trans-129.2132.9172.500000110.2V535 V537 V551 A552 V553 Y560 T591V535-A593 HydrophobicContact CG1-CB 4.02Å; V537-A593 HydrophobicContact CG1-CB 4.13Å; V551-A593 HydrophobicContact CG1-CB 4.23Å; A552-A593 WeakPolarHBondContact O-CA 3.4Å; V553-A593 HydrophobicContact CG1-CB 3.68Å; Y560-A593 HydrophobicContact CE1-CB 4.46Å; Y560-A593 HydrophobicContact CE2-CB 4.12Å; T591-A593 PolarHBondContact O-N 2.94Å; T591-A593 PolarHBondContact OG1-N 3.13Å; T591-A593 PolarHBondContact OG1-O 2.99Å; T591-A593 VanDerWaalsContact OG1-O 3.14Å
594V95.1Very high92.9Very high35 Ų3538.2 Ų38.221%0.21221%0.205CC..EExtended strand (participates in β ladder)trans-124133.4-171.6-177.30000109.5V551 A552 V585 I596V551-V594 CarbonylContact C-O 3.47Å; V551-V594 WeakPolarHBondContact CA-O 3.23Å; A552-V594 PolarHBondContact N-O 3.27Å; A552-V594 PolarHBondContact O-N 2.73Å; V585-V594 HydrophobicContact CG1-CG2 4.03Å; V585-V594 HydrophobicContact CG2-CG2 4.35Å; V594-I596 HydrophobicContact CG1-CD1 4.41Å
595K96.6Very high92.8Very high12 Ų1236.2 Ų36.25%0.05220%0.196CC..EExtended strand (participates in β ladder)trans-70.3138.6169.354.7153.8-142.969.20110.7F524 Y526 V537 T539 T544 M545 D548 T597 D604F524-K595 HydrophobicContact CZ-CD 4.47Å; Y526-K595 HydrophobicContact CE2-CB 4.45Å; V537-K595 HydrophobicContact CG2-CB 4.32Å; T539-K595 HydrophobicContact CG2-CD 4.18Å; T539-K595 WeakPolarHBondContact OG1-CE 3.47Å; T544-K595 WeakPolarHBondContact OG1-CE 3.44Å; T544-K595 PolarHBondContact OG1-NZ 3.41Å; T544-K595 VanDerWaalsContact OG1-NZ 3.07Å; M545-K595 HydrophobicContact CB-CD 4.16Å; D548-K595 IonicContact OD1-NZ 3.67Å; D548-K595 WeakPolarHBondContact OD2-CB 3.37Å; D548-K595 WeakPolarHBondContact OD2-CD 3.31Å; K595-T597 PolarHBondContact NZ-OG1 2.84Å; K595-D604 IonicContact NZ-OD2 2.71Å
596I97.6Very high92.8Very high0 Ų040.3 Ų40.30%022%0.215CC..EExtended strand (participates in β ladder)trans-111.1115.3-179.4-57.6-58.9000109.9D548 T549 A550 A552 V594 P598 D604 V607 L613D548-I596 WeakPolarHBondContact CA-O 3.46Å; T549-I596 PolarHBondContact N-O 3.19Å; A550-I596 HydrophobicContact CB-CB 4.13Å; A550-I596 HydrophobicContact CB-CG1 4.43Å; A550-I596 PolarHBondContact O-N 3.18Å; A552-I596 HydrophobicContact CB-CD1 3.67Å; A552-I596 HydrophobicContact CB-CG1 3.66Å; V594-I596 HydrophobicContact CG1-CD1 4.41Å; I596-P598 HydrophobicContact CG2-CG 3.87Å; I596-D604 HydrophobicContact CG2-CB 4.13Å; I596-V607 HydrophobicContact CD1-CB 4.35Å; I596-V607 HydrophobicContact CD1-CG1 4.04Å; I596-V607 HydrophobicContact CD1-CG2 4.36Å; I596-V607 HydrophobicContact CG1-CG1 4.17Å; I596-V607 HydrophobicContact CG2-CB 4.37Å; I596-V607 HydrophobicContact CG2-CG1 4.13Å; I596-L613 HydrophobicContact CG2-CD1 3.75Å
597T96.7Very high92.9Very high1 Ų136 Ų361%0.00619%0.192CC..  trans-120.677.9176.6-36.60000110.8T544 D548 K595 A599 H600 D604T544-T597 WeakPolarHBondContact O-CG2 3.21Å; D548-T597 PolarHBondContact OD1-OG1 3.46Å; K595-T597 PolarHBondContact NZ-OG1 2.84Å; T597-A599 PolarHBondContact O-N 2.91Å; T597-H600 HydrophobicContact CG2-CB 4.1Å; T597-H600 PolarHBondContact O-N 2.8Å; T597-D604 PolarHBondContact N-OD2 2.98Å
598P95.2Very high92.9Very high0 Ų033.4 Ų33.40%018%0.179CC..THydrogen-bonded Turntrans-58.1-23.5-166.5-27.436.3000116T549 I596 Y605 L613 F615T549-P598 VanDerWaalsContact OG1-CD 3.26Å; T549-P598 WeakPolarHBondContact OG1-CD 3.35Å; I596-P598 HydrophobicContact CG2-CG 3.87Å; P598-Y605 WeakPolarHBondContact O-CB 3.47Å; P598-L613 HydrophobicContact CG-CB 4.27Å; P598-L613 HydrophobicContact CG-CD1 4.48Å; P598-F615 HydrophobicContact CB-CD1 3.52Å; P598-F615 HydrophobicContact CB-CD2 4.28Å; P598-F615 HydrophobicContact CB-CE1 3.42Å; P598-F615 VanDerWaalsContact CB-CE1 3.42Å; P598-F615 HydrophobicContact CB-CE2 4.22Å; P598-F615 HydrophobicContact CB-CG 3.95Å; P598-F615 HydrophobicContact CB-CZ 3.81Å
599A94.6Very high93Very high1 Ų131.9 Ų31.91%0.00817%0.167CC..THydrogen-bonded Turntrans-87-0.7-17900000114.9L480 T597 I616 N617L480-A599 VanDerWaalsContact CD2-O 3.27Å; L480-A599 WeakPolarHBondContact CD2-O 3.31Å; T597-A599 PolarHBondContact O-N 2.91Å; A599-I616 WeakPolarHBondContact CB-O 3.39Å; A599-N617 HydrophobicContact CB-CB 4.43Å
600H94.6Very high93.3Very high1 Ų132.7 Ų32.71%0.00517%0.167CC..THydrogen-bonded Turntrans-137-0.4-171.6-67.1-79.3000115.2R541 T544 T597 N617 I618 E675 P676R541-H600 PolarHBondContact NH1-O 3.47Å; T544-H600 HydrophobicContact CG2-CB 4.18Å; T597-H600 HydrophobicContact CG2-CB 4.1Å; T597-H600 PolarHBondContact O-N 2.8Å; H600-N617 PolarHBondContact CE1-OD1 3.37Å; H600-N617 PolarHBondContact NE2-OD1 3.03Å; H600-I618 WeakPolarHBondContact NE2-CG1 3.4Å; H600-I618 PolarHBondContact NE2-N 3.43Å; H600-I618 VanDerWaalsContact NE2-N 3.14Å; H600-E675 IonicContact ND1-OE1 2.77Å; H600-P676 WeakPolarHBondContact O-CG 3.37Å
601D92.9Very high93.7Very high52 Ų5233.6 Ų33.628%0.27816%0.159SC..  trans-145.5140.8174.5-175.1-86000110.6L480 N603 D604 Y605L480-D601 VanDerWaalsContact CD1-C 3.5Å; L480-D601 VanDerWaalsContact CD1-O 3.26Å; L480-D601 WeakPolarHBondContact CD1-O 3.37Å; D601-N603 WeakPolarHBondContact OD1-CA 3.27Å; D601-N603 WeakPolarHBondContact OD1-CB 3.1Å; D601-N603 PolarHBondContact OD1-N 3.1Å; D601-N603 PolarHBondContact OD1-ND2 3.34Å; D601-D604 HydrophobicContact CB-CB 3.93Å; D601-D604 PolarHBondContact O-N 3.17Å; D601-D604 PolarHBondContact OD1-N 3.44Å; D601-Y605 WeakPolarHBondContact O-CB 3.36Å; D601-Y605 PolarHBondContact O-N 3.41Å
602H89.5Confident93.9Very high70 Ų7039.8 Ų39.832%0.32419%0.191SC..Hα-helixtrans-70.1-34.6-175.6-70.390.5000113.1Y605 E606H602-Y605 WeakPolarHBondContact O-CB 3.45Å; H602-E606 PolarHBondContact O-N 2.94Å
603N91.9Very high94.2Very high74 Ų7440.7 Ų40.740%0.39620%0.196SC..Hα-helixtrans-73.4-41.5176.4-52.5-61.9000110.1F584 D601 Y605 E606 V607F584-N603 HydrophobicContact CD2-CB 4.33Å; F584-N603 HydrophobicContact CE1-CB 4.03Å; F584-N603 HydrophobicContact CE2-CB 3.47Å; F584-N603 VanDerWaalsContact CE2-CB 3.47Å; F584-N603 HydrophobicContact CZ-CB 3.3Å; D601-N603 WeakPolarHBondContact OD1-CA 3.27Å; D601-N603 WeakPolarHBondContact OD1-CB 3.1Å; D601-N603 PolarHBondContact OD1-N 3.1Å; D601-N603 PolarHBondContact OD1-ND2 3.34Å; N603-Y605 PolarHBondContact O-N 2.93Å; N603-E606 PolarHBondContact O-N 3.27Å; N603-V607 WeakPolarHBondContact O-CG2 3.14Å; N603-V607 PolarHBondContact O-N 2.99Å
604D95.1Very high94.2Very high8 Ų843.4 Ų43.44%0.04322%0.219CC..Hα-helixtrans-62.1-33.7175.2-65.8-5.1000111.6K595 I596 T597 D601 V607 G608K595-D604 IonicContact NZ-OD2 2.71Å; I596-D604 HydrophobicContact CG2-CB 4.13Å; T597-D604 PolarHBondContact N-OD2 2.98Å; D601-D604 HydrophobicContact CB-CB 3.93Å; D601-D604 PolarHBondContact O-N 3.17Å; D601-D604 PolarHBondContact OD1-N 3.44Å; D604-V607 PolarHBondContact O-N 3.27Å; D604-G608 PolarHBondContact O-N 3.25Å
605Y92.3Very high94.1Very high36 Ų3644.9 Ų44.914%0.14122%0.222CC..Hα-helixtrans-59.4-49.9173.9-179.2-82.9000111.1K478 L480 P598 D601 H602 N603 V607 G608 E609 F615 L678K478-Y605 PolarHBondContact O-OH 3.47Å; L480-Y605 HydrophobicContact CD1-CD2 3.84Å; L480-Y605 HydrophobicContact CD1-CG 3.97Å; L480-Y605 HydrophobicContact CG-CD2 3.7Å; L480-Y605 HydrophobicContact CG-CE2 4.39Å; L480-Y605 HydrophobicContact CG-CG 4.28Å; P598-Y605 WeakPolarHBondContact O-CB 3.47Å; D601-Y605 WeakPolarHBondContact O-CB 3.36Å; D601-Y605 PolarHBondContact O-N 3.41Å; H602-Y605 WeakPolarHBondContact O-CB 3.45Å; N603-Y605 PolarHBondContact O-N 2.93Å; Y605-V607 PolarHBondContact O-N 2.97Å; Y605-G608 CarbonylContact O-C 3.51Å; Y605-G608 WeakPolarHBondContact O-CA 3.41Å; Y605-G608 PolarHBondContact O-N 2.9Å; Y605-G608 VanDerWaalsContact O-N 3.13Å; Y605-E609 HydrophobicContact CD1-CG 4.23Å; Y605-E609 HydrophobicContact CE1-CG 3.91Å; Y605-E609 WeakPolarHBondContact CE1-OE2 3.29Å; Y605-E609 PolarHBondContact O-N 3.43Å; Y605-E609 PolarHBondContact OH-OE1 2.98Å; Y605-F615 AromaticContact CD2-CD1 3.96Å; Y605-F615 HydrophobicContact CD2-CD1 3.96Å; Y605-F615 AromaticContact CD2-CE1 3.33Å; Y605-F615 HydrophobicContact CD2-CE1 3.33Å; Y605-F615 HydrophobicContact CD2-CZ 4.36Å; Y605-F615 HydrophobicContact CE2-CD1 4.09Å; Y605-F615 AromaticContact CE2-CE1 3.55Å; Y605-F615 HydrophobicContact CE2-CE1 3.55Å; Y605-F615 HydrophobicContact CE2-CZ 4.44Å; Y605-F615 AromaticContact CG-CE1 3.91Å; Y605-F615 HydrophobicContact CG-CE1 3.91Å; Y605-L678 HydrophobicContact CD2-CD1 4.47Å; Y605-L678 HydrophobicContact CE2-CD1 3.86Å
606E91.5Very high94Very high88 Ų8846.3 Ų46.341%0.41123%0.23SC..Hα-helixtrans-64.9-40.1179.4-64.3179.3-176.700112H602 N603 G608 E609 R610H602-E606 PolarHBondContact O-N 2.94Å; N603-E606 PolarHBondContact O-N 3.27Å; E606-G608 VanDerWaalsContact C-N 3.31Å; E606-E609 PolarHBondContact O-N 3.25Å; E606-R610 WeakPolarHBondContact O-CG 3.26Å; E606-R610 PolarHBondContact O-N 3.35Å; E606-R610 PolarHBondContact O-NH1 3.27Å; E606-R610 IonicContact OE2-NH1 2.88Å
607V94.3Very high93.9Very high0 Ų048 Ų480%024%0.239CC..Hα-helixtrans-61.3-43.1171.8177.20000110.2V580 F584 I596 N603 D604 Y605 E609 R610 H611V580-V607 HydrophobicContact CG2-CG1 4.43Å; F584-V607 HydrophobicContact CB-CG2 4.3Å; F584-V607 HydrophobicContact CD1-CG2 3.79Å; F584-V607 HydrophobicContact CE1-CG2 4.49Å; F584-V607 HydrophobicContact CG-CG2 4.2Å; I596-V607 HydrophobicContact CD1-CB 4.35Å; I596-V607 HydrophobicContact CD1-CG1 4.04Å; I596-V607 HydrophobicContact CD1-CG2 4.36Å; I596-V607 HydrophobicContact CG1-CG1 4.17Å; I596-V607 HydrophobicContact CG2-CB 4.37Å; I596-V607 HydrophobicContact CG2-CG1 4.13Å; N603-V607 WeakPolarHBondContact O-CG2 3.14Å; N603-V607 PolarHBondContact O-N 2.99Å; D604-V607 PolarHBondContact O-N 3.27Å; Y605-V607 PolarHBondContact O-N 2.97Å; V607-E609 VanDerWaalsContact C-N 3.35Å; V607-E609 PolarHBondContact O-N 3.1Å; V607-R610 VanDerWaalsContact CG2-NH2 3.28Å; V607-R610 PolarHBondContact O-N 2.89Å; V607-H611 PolarHBondContact O-CD2 3.28Å; V607-H611 VanDerWaalsContact O-CD2 3.31Å; V607-H611 PolarHBondContact O-N 3.32Å
608G94.9Very high93.8Very high0 Ų048.1 Ų48.10%024%0.24CC..Hα-helixtrans-59.5-42.2177.100000113.2D604 Y605 E606 N612 L613D604-G608 PolarHBondContact O-N 3.25Å; Y605-G608 CarbonylContact O-C 3.51Å; Y605-G608 WeakPolarHBondContact O-CA 3.41Å; Y605-G608 PolarHBondContact O-N 2.9Å; Y605-G608 VanDerWaalsContact O-N 3.13Å; E606-G608 VanDerWaalsContact C-N 3.31Å; G608-N612 WeakPolarHBondContact O-CA 3.38Å; G608-N612 PolarHBondContact O-N 3.25Å; G608-L613 PolarHBondContact O-N 3.36Å
609E92.1Very high93.8Very high117 Ų11748.3 Ų48.355%0.54724%0.241SC..Hα-helixtrans-65.7-46.7174.2-70.2-166.7126.800111.6Y605 E606 V607 H611 N612 F615Y605-E609 HydrophobicContact CD1-CG 4.23Å; Y605-E609 HydrophobicContact CE1-CG 3.91Å; Y605-E609 WeakPolarHBondContact CE1-OE2 3.29Å; Y605-E609 PolarHBondContact O-N 3.43Å; Y605-E609 PolarHBondContact OH-OE1 2.98Å; E606-E609 PolarHBondContact O-N 3.25Å; V607-E609 VanDerWaalsContact C-N 3.35Å; V607-E609 PolarHBondContact O-N 3.1Å; E609-H611 VanDerWaalsContact C-N 3.32Å; E609-H611 PolarHBondContact O-N 3.15Å; E609-N612 PolarHBondContact O-N 3.42Å; E609-F615 HydrophobicContact CG-CZ 3.96Å
610R94.6Very high93.8Very high120 Ų12050.2 Ų50.245%0.45325%0.251SS..Hα-helixtrans-60.1-38.9-179.8-74.4-169.1-62.5-90.814.5113.3D582 E606 V607D582-R610 IonicContact OD1-CZ 3.31Å; D582-R610 IonicContact OD1-NE 2.75Å; D582-R610 IonicContact OD1-NH2 3.78Å; D582-R610 PolarHBondContact OD1-NH2 3.23Å; D582-R610 IonicContact OD2-CZ 3.85Å; D582-R610 IonicContact OD2-NE 2.88Å; D582-R610 PolarHBondContact OD2-NE 2.93Å; D582-R610 IonicContact OD2-NH2 3.18Å; D582-R610 PolarHBondContact OD2-NH2 3.15Å; E606-R610 WeakPolarHBondContact O-CG 3.26Å; E606-R610 PolarHBondContact O-N 3.35Å; E606-R610 PolarHBondContact O-NH1 3.27Å; E606-R610 IonicContact OE2-NH1 2.88Å; V607-R610 VanDerWaalsContact CG2-NH2 3.28Å; V607-R610 PolarHBondContact O-N 2.89Å
611H95.3Very high93.6Very high66 Ų6653.9 Ų53.931%0.30627%0.268SS..THydrogen-bonded Turntrans-1038.6-176.4-65.2-81.7000114V580 L581 D582 V607 E609 L613V580-H611 HydrophobicContact CG1-CB 4.22Å; L581-H611 PolarHBondContact O-CE1 3.13Å; D582-H611 IonicContact OD2-CD2 2.68Å; D582-H611 PolarHBondContact OD2-CD2 3.04Å; D582-H611 IonicContact OD2-CE1 3.26Å; D582-H611 IonicContact OD2-NE2 3.71Å; D582-H611 PolarHBondContact OD2-NE2 3.2Å; V607-H611 PolarHBondContact O-CD2 3.28Å; V607-H611 VanDerWaalsContact O-CD2 3.31Å; V607-H611 PolarHBondContact O-N 3.32Å; E609-H611 VanDerWaalsContact C-N 3.32Å; E609-H611 PolarHBondContact O-N 3.15Å; H611-L613 VanDerWaalsContact C-N 3.33Å; H611-L613 HydrophobicContact CB-CD1 4.47Å; H611-L613 HydrophobicContact CB-CD2 4.13Å; H611-L613 HydrophobicContact CB-CG 3.98Å; H611-L613 PolarHBondContact O-N 3.32Å
612N94.4Very high93.5Very high153 Ų15355.6 Ų55.682%0.81828%0.277SS*.THydrogen-bonded Turntrans52.447.6-179.8-16941.9000113.1G608 E609G608-N612 WeakPolarHBondContact O-CA 3.38Å; G608-N612 PolarHBondContact O-N 3.25Å; E609-N612 PolarHBondContact O-N 3.42Å
613L95.6Very high93.7Very high18 Ų1852.3 Ų52.39%0.09426%0.262CS..  trans-82.9158.7-179.7-56.2-179000111.7A550 P578 V580 I596 P598 G608 H611 F615A550-L613 HydrophobicContact CB-CD1 3.52Å; A550-L613 HydrophobicContact CB-CD2 4.09Å; A550-L613 HydrophobicContact CB-CG 4.47Å; P578-L613 HydrophobicContact CG-CD2 4.13Å; V580-L613 HydrophobicContact CG1-CD2 4.39Å; I596-L613 HydrophobicContact CG2-CD1 3.75Å; P598-L613 HydrophobicContact CG-CB 4.27Å; P598-L613 HydrophobicContact CG-CD1 4.48Å; G608-L613 PolarHBondContact O-N 3.36Å; H611-L613 VanDerWaalsContact C-N 3.33Å; H611-L613 HydrophobicContact CB-CD1 4.47Å; H611-L613 HydrophobicContact CB-CD2 4.13Å; H611-L613 HydrophobicContact CB-CG 3.98Å; H611-L613 PolarHBondContact O-N 3.32Å; L613-F615 WeakPolarHBondContact O-CD2 3.38Å; L613-F615 VanDerWaalsContact O-CE2 3.26Å; L613-F615 WeakPolarHBondContact O-CE2 3.11Å
614A93.4Very high93.9Very high60 Ų6051.3 Ų51.350%0.49626%0.256SS..  trans-72.2141.4173.300000111.7T549 I616T549-A614 HydrophobicContact CG2-CB 4.12Å; T549-A614 WeakPolarHBondContact CG2-O 3.17Å; T549-A614 PolarHBondContact OG1-O 3.22Å; T549-A614 VanDerWaalsContact OG1-O 3.13Å; A614-I616 HydrophobicContact CB-CG1 4.36Å
615F93.8Very high94Very high65 Ų6551 Ų5129%0.28526%0.255SS..  trans-10384.1178.3-72-110.1000109.7P598 Y605 E609 L613 N617 L678P598-F615 HydrophobicContact CB-CD1 3.52Å; P598-F615 HydrophobicContact CB-CD2 4.28Å; P598-F615 HydrophobicContact CB-CE1 3.42Å; P598-F615 VanDerWaalsContact CB-CE1 3.42Å; P598-F615 HydrophobicContact CB-CE2 4.22Å; P598-F615 HydrophobicContact CB-CG 3.95Å; P598-F615 HydrophobicContact CB-CZ 3.81Å; Y605-F615 AromaticContact CD2-CD1 3.96Å; Y605-F615 HydrophobicContact CD2-CD1 3.96Å; Y605-F615 AromaticContact CD2-CE1 3.33Å; Y605-F615 HydrophobicContact CD2-CE1 3.33Å; Y605-F615 HydrophobicContact CD2-CZ 4.36Å; Y605-F615 HydrophobicContact CE2-CD1 4.09Å; Y605-F615 AromaticContact CE2-CE1 3.55Å; Y605-F615 HydrophobicContact CE2-CE1 3.55Å; Y605-F615 HydrophobicContact CE2-CZ 4.44Å; Y605-F615 AromaticContact CG-CE1 3.91Å; Y605-F615 HydrophobicContact CG-CE1 3.91Å; E609-F615 HydrophobicContact CG-CZ 3.96Å; L613-F615 WeakPolarHBondContact O-CD2 3.38Å; L613-F615 VanDerWaalsContact O-CE2 3.26Å; L613-F615 WeakPolarHBondContact O-CE2 3.11Å; F615-N617 PolarHBondContact O-N 3.25Å; F615-L678 HydrophobicContact CB-CD2 4.18Å
616I94.1Very high94.1Very high42 Ų4251.8 Ų51.822%0.21526%0.261CS..  trans-86.7104.3-177.1-57.4177.9000109.7T549 A599 A614 I618T549-I616 HydrophobicContact CG2-CB 4.47Å; T549-I616 HydrophobicContact CG2-CD1 3.64Å; T549-I616 HydrophobicContact CG2-CG1 3.85Å; A599-I616 WeakPolarHBondContact CB-O 3.39Å; A614-I616 HydrophobicContact CB-CG1 4.36Å; I616-I618 HydrophobicContact CG2-CG2 4.09Å; I616-I618 PolarHBondContact O-N 2.99Å
617N94.1Very high94.2Very high37 Ų3753 Ų5320%0.19827%0.27CS..  trans-77.4118.3173-177.333.1000111.1A599 H600 F615 L619 N627A599-N617 HydrophobicContact CB-CB 4.43Å; H600-N617 PolarHBondContact CE1-OD1 3.37Å; H600-N617 PolarHBondContact NE2-OD1 3.03Å; F615-N617 PolarHBondContact O-N 3.25Å; N617-L619 PolarHBondContact ND2-O 3.46Å; N617-L619 PolarHBondContact OD1-N 3.05Å; N617-L619 PolarHBondContact OD1-O 2.8Å; N617-N627 PolarHBondContact O-ND2 3.47Å
618I95.9Very high94.3Very high3 Ų353.6 Ų53.62%0.01527%0.274CS..  trans-1040.5179.462.4156.8000114.4L546 H600 I616 L625 I626 V628L546-I618 HydrophobicContact CB-CD1 4.11Å; H600-I618 WeakPolarHBondContact NE2-CG1 3.4Å; H600-I618 PolarHBondContact NE2-N 3.43Å; H600-I618 VanDerWaalsContact NE2-N 3.14Å; I616-I618 HydrophobicContact CG2-CG2 4.09Å; I616-I618 PolarHBondContact O-N 2.99Å; I618-L625 CarbonylContact O-C 3.55Å; I618-L625 VanDerWaalsContact O-CA 3.25Å; I618-L625 WeakPolarHBondContact O-CA 3.49Å; I618-I626 CarbonylContact C-O 3.54Å; I618-I626 WeakPolarHBondContact CA-O 3.46Å; I618-I626 PolarHBondContact O-N 3.46Å; I618-V628 HydrophobicContact CB-CG1 3.74Å; I618-V628 HydrophobicContact CG2-CG1 3.7Å
619L95.4Very high94.1Very high4 Ų454.9 Ų54.92%0.02128%0.282CS..BIsolated β-bridgetrans-124.3137.3-179.8-64.2174.4000111.2N617 L624 L625 R637 E675 L677N617-L619 PolarHBondContact ND2-O 3.46Å; N617-L619 PolarHBondContact OD1-N 3.05Å; N617-L619 PolarHBondContact OD1-O 2.8Å; L619-L624 WeakPolarHBondContact CA-O 3.34Å; L619-L625 HydrophobicContact CD2-CD1 3.8Å; L619-L625 HydrophobicContact CD2-CG 4.13Å; L619-R637 HydrophobicContact CD1-CB 4.49Å; L619-R637 HydrophobicContact CD2-CB 3.94Å; L619-E675 VanDerWaalsContact CD1-CD 3.43Å; L619-E675 HydrophobicContact CD1-CG 3.77Å; L619-L677 HydrophobicContact CB-CD1 4.4Å
620D94Very high94Very high41 Ų4154.5 Ų54.522%0.21929%0.29CS..  trans-82.3-179.3166.180.4-2.2000111.7N622 G623 L624 I626D620-N622 PolarHBondContact O-N 3.32Å; D620-N622 WeakPolarHBondContact OD1-CA 3.49Å; D620-N622 PolarHBondContact OD1-N 3.35Å; D620-G623 PolarHBondContact O-N 3.23Å; D620-G623 VanDerWaalsContact O-N 3.12Å; D620-G623 PolarHBondContact OD1-N 3.2Å; D620-L624 PolarHBondContact N-O 3.25Å; D620-L624 WeakPolarHBondContact OD1-CB 3.24Å; D620-L624 PolarHBondContact OD1-N 3.46Å; D620-I626 HydrophobicContact CB-CD1 4.17Å; D620-I626 HydrophobicContact CB-CG2 3.96Å
621E90.9Very high94Very high78 Ų7853.2 Ų53.236%0.36430%0.297SS..THydrogen-bonded Turntrans-61.4-27180-69.2-178.7165.600113.7W483 C485 N488 G623 K679W483-E621 HydrophobicContact CH2-CG 4.18Å; W483-E621 HydrophobicContact CZ2-CB 3.72Å; W483-E621 HydrophobicContact CZ2-CG 3.72Å; W483-E621 PolarHBondContact NE1-O 2.93Å; C485-E621 WeakPolarHBondContact CA-O 3.32Å; N488-E621 PolarHBondContact OD1-O 3.06Å; E621-G623 VanDerWaalsContact C-N 3.32Å; E621-K679 VanDerWaalsContact CD-NZ 3.29Å; E621-K679 IonicContact OE1-NZ 3.54Å; E621-K679 PolarHBondContact OE1-NZ 3.32Å
622N91.2Very high94Very high87 Ų8750.2 Ų50.247%0.46528%0.283SS..THydrogen-bonded Turntrans-90.20.4-178.9-55.5-64.4000112.2N488 D620 L624N488-N622 PolarHBondContact ND2-OD1 3.47Å; N488-N622 VanDerWaalsContact ND2-OD1 3.15Å; D620-N622 PolarHBondContact O-N 3.32Å; D620-N622 WeakPolarHBondContact OD1-CA 3.49Å; D620-N622 PolarHBondContact OD1-N 3.35Å; N622-L624 HydrophobicContact CB-CG 4.34Å
623G93.3Very high94.1Very high1 Ų147.8 Ų47.81%0.0127%0.269CS..SBendtrans74.725.3-176.100000113.4D620 E621 R637D620-G623 PolarHBondContact O-N 3.23Å; D620-G623 VanDerWaalsContact O-N 3.12Å; D620-G623 PolarHBondContact OD1-N 3.2Å; E621-G623 VanDerWaalsContact C-N 3.32Å; G623-R637 PolarHBondContact O-N 3.09Å
624L95.8Very high94.1Very high54 Ų5449.2 Ų49.228%0.28329%0.289SS..BIsolated β-bridgetrans-89.3144169.7-58.5174.5000110.2L619 D620 N622 I626 M635 K636L619-L624 WeakPolarHBondContact CA-O 3.34Å; D620-L624 PolarHBondContact N-O 3.25Å; D620-L624 WeakPolarHBondContact OD1-CB 3.24Å; D620-L624 PolarHBondContact OD1-N 3.46Å; N622-L624 HydrophobicContact CB-CG 4.34Å; L624-I626 PolarHBondContact O-N 3.06Å; L624-M635 CarbonylContact C-O 3.6Å; L624-M635 WeakPolarHBondContact CA-O 3.4Å; L624-K636 HydrophobicContact CD2-CG 3.67Å
625L96.5Very high94.3Very high2 Ų249 Ų491%0.0128%0.278CS..BIsolated β-bridgetrans-73.7126.1-179.1-86.775.6000111.4L546 I618 L619 V628 F632 G634 M635 A640L546-L625 HydrophobicContact CD1-CD2 3.49Å; L546-L625 VanDerWaalsContact CD1-CD2 3.49Å; I618-L625 CarbonylContact O-C 3.55Å; I618-L625 VanDerWaalsContact O-CA 3.25Å; I618-L625 WeakPolarHBondContact O-CA 3.49Å; L619-L625 HydrophobicContact CD2-CD1 3.8Å; L619-L625 HydrophobicContact CD2-CG 4.13Å; L625-V628 HydrophobicContact CB-CG2 3.78Å; L625-V628 HydrophobicContact CD2-CG1 4.35Å; L625-V628 HydrophobicContact CD2-CG2 4.09Å; L625-V628 HydrophobicContact CG-CG2 4.45Å; L625-F632 WeakPolarHBondContact CB-O 3.34Å; L625-F632 HydrophobicContact CD2-CB 3.98Å; L625-G634 PolarHBondContact O-N 3.2Å; L625-M635 WeakPolarHBondContact CD1-O 3.35Å; L625-M635 PolarHBondContact N-O 3.25Å; L625-A640 HydrophobicContact CD1-CB 3.5Å; L625-A640 VanDerWaalsContact CD1-CB 3.5Å; L625-A640 HydrophobicContact CD2-CB 3.53Å; L625-A640 HydrophobicContact CG-CB 4.2Å
626I95.7Very high94.3Very high52 Ų5249.6 Ų49.627%0.26728%0.28SS..  trans-126160.3175.960.4171.2000109.7I618 D620 L624 V628I618-I626 CarbonylContact C-O 3.54Å; I618-I626 WeakPolarHBondContact CA-O 3.46Å; I618-I626 PolarHBondContact O-N 3.46Å; D620-I626 HydrophobicContact CB-CD1 4.17Å; D620-I626 HydrophobicContact CB-CG2 3.96Å; L624-I626 PolarHBondContact O-N 3.06Å; I626-V628 WeakPolarHBondContact O-CG1 3.43Å; I626-V628 PolarHBondContact O-N 3.1Å; I626-V628 VanDerWaalsContact O-N 3.07Å
627N93.6Very high94.4Very high114 Ų11447.8 Ų47.861%0.6127%0.271SS*.SBendtrans54.928178.3-52.2-40.6000114.5N617N617-N627 PolarHBondContact O-ND2 3.47Å
628V95.1Very high94.4Very high11 Ų1146.5 Ų46.57%0.06726%0.264CS..  trans-118.3154.8177.3-64.10000110.7L546 I618 L625 I626 F632 L633L546-V628 HydrophobicContact CB-CG1 3.79Å; L546-V628 HydrophobicContact CD1-CB 4.33Å; L546-V628 HydrophobicContact CD1-CG1 4Å; L546-V628 HydrophobicContact CG-CG1 4.49Å; I618-V628 HydrophobicContact CB-CG1 3.74Å; I618-V628 HydrophobicContact CG2-CG1 3.7Å; L625-V628 HydrophobicContact CB-CG2 3.78Å; L625-V628 HydrophobicContact CD2-CG1 4.35Å; L625-V628 HydrophobicContact CD2-CG2 4.09Å; L625-V628 HydrophobicContact CG-CG2 4.45Å; I626-V628 WeakPolarHBondContact O-CG1 3.43Å; I626-V628 PolarHBondContact O-N 3.1Å; I626-V628 VanDerWaalsContact O-N 3.07Å; V628-F632 HydrophobicContact CB-CB 4.46Å; V628-F632 HydrophobicContact CG2-CB 3.93Å; V628-L633 HydrophobicContact CG2-CB 4.24Å; V628-L633 HydrophobicContact CG2-CD1 4.24Å
629P92.1Very high94.4Very high28 Ų2851.2 Ų51.218%0.18229%0.286CS..  trans-70.5153.817828.9-35.3000112.2F572 C573 F632F572-P629 HydrophobicContact CB-CG 4.02Å; F572-P629 VanDerWaalsContact O-CG 3.32Å; F572-P629 WeakPolarHBondContact O-CG 3.27Å; C573-P629 HydrophobicContact CB-CG 4.38Å; P629-F632 HydrophobicContact CG-CD2 4.29Å; P629-F632 WeakPolarHBondContact O-CD2 3.18Å; P629-F632 PolarHBondContact O-N 3.45Å
630P89.4Confident94.5Very high109 Ų10951 Ų5171%0.70829%0.285SS*.THydrogen-bonded Turntrans-55.8146164-22.933.9000111.3
631P93.8Very high94.6Very high92 Ų9250.5 Ų50.560%0.59728%0.279SS*.THydrogen-bonded Turncis-86.74.54.735.7-36.4000114.5L633 M635P631-L633 VanDerWaalsContact C-N 3.35Å; P631-L633 PolarHBondContact O-N 3.34Å; P631-M635 HydrophobicContact CB-CE 4.49Å; P631-M635 WeakPolarHBondContact O-CE 3.13Å
632F96.2Very high94.7Very high4 Ų451.3 Ų51.32%0.01829%0.29CS..SBendtrans-76.2-20.4-169.9-49.4-63.9000114.4L546 F572 L625 V628 P629 G634 M635 A643 V644 A647L546-F632 HydrophobicContact CD1-CB 3.93Å; L546-F632 HydrophobicContact CD1-CD2 4.06Å; L546-F632 HydrophobicContact CD1-CG 3.93Å; L546-F632 HydrophobicContact CD2-CD2 3.7Å; L546-F632 HydrophobicContact CD2-CE2 3.81Å; L546-F632 HydrophobicContact CD2-CG 4.38Å; F572-F632 HydrophobicContact CB-CE2 4.06Å; F572-F632 HydrophobicContact CD1-CE2 4.03Å; F572-F632 HydrophobicContact CD1-CZ 4.17Å; F572-F632 AromaticContact CD2-CE2 4Å; F572-F632 HydrophobicContact CD2-CE2 4Å; F572-F632 HydrophobicContact CD2-CZ 4.32Å; F572-F632 HydrophobicContact CE1-CE2 4.48Å; F572-F632 HydrophobicContact CE1-CZ 4.18Å; F572-F632 HydrophobicContact CE2-CE2 4.44Å; F572-F632 HydrophobicContact CE2-CZ 4.31Å; F572-F632 AromaticContact CG-CE2 3.75Å; F572-F632 HydrophobicContact CG-CE2 3.75Å; F572-F632 HydrophobicContact CG-CZ 4.24Å; F572-F632 HydrophobicContact CZ-CZ 4.23Å; L625-F632 WeakPolarHBondContact CB-O 3.34Å; L625-F632 HydrophobicContact CD2-CB 3.98Å; V628-F632 HydrophobicContact CB-CB 4.46Å; V628-F632 HydrophobicContact CG2-CB 3.93Å; P629-F632 HydrophobicContact CG-CD2 4.29Å; P629-F632 WeakPolarHBondContact O-CD2 3.18Å; P629-F632 PolarHBondContact O-N 3.45Å; F632-G634 PolarHBondContact O-N 3.24Å; F632-M635 HydrophobicContact CD1-SD 4.37Å; F632-M635 WeakPolarHBondContact O-CB 3.44Å; F632-M635 WeakPolarHBondContact O-CG 3.48Å; F632-M635 PolarHBondContact O-N 3.11Å; F632-M635 VanDerWaalsContact O-N 3.12Å; F632-A643 HydrophobicContact CD1-CB 4.28Å; F632-A643 HydrophobicContact CE1-CB 4.22Å; F632-V644 HydrophobicContact CD1-CG2 3.88Å; F632-V644 HydrophobicContact CE1-CB 4.41Å; F632-V644 HydrophobicContact CE1-CG2 3.66Å; F632-V644 HydrophobicContact CG-CG2 4.48Å; F632-V644 HydrophobicContact CZ-CG2 4.09Å; F632-A647 HydrophobicContact CE1-CB 4.39Å; F632-A647 HydrophobicContact CZ-CB 3.98Å
633L96.3Very high95Very high102 Ų10248.6 Ų48.653%0.53428%0.279SS..THydrogen-bonded Turntrans-57.8127.4-176.8-173.767.3000111.4V628 P631 M635V628-L633 HydrophobicContact CG2-CB 4.24Å; V628-L633 HydrophobicContact CG2-CD1 4.24Å; P631-L633 VanDerWaalsContact C-N 3.35Å; P631-L633 PolarHBondContact O-N 3.34Å; L633-M635 VanDerWaalsContact C-N 3.29Å; L633-M635 PolarHBondContact O-N 3.33Å
634G95.7Very high95.2Very high48 Ų4848.5 Ų48.550%0.49528%0.279SS..THydrogen-bonded Turntrans80.5-2.6-179.900000115.4L625 F632L625-G634 PolarHBondContact O-N 3.2Å; F632-G634 PolarHBondContact O-N 3.24Å
635M96.7Very high95.2Very high56 Ų5647.2 Ų47.228%0.27627%0.272SS..  trans-69.4153.8174.4-68.5-176.2171.400111.4L624 L625 P631 F632 L633 A640 A643L624-M635 CarbonylContact C-O 3.6Å; L624-M635 WeakPolarHBondContact CA-O 3.4Å; L625-M635 WeakPolarHBondContact CD1-O 3.35Å; L625-M635 PolarHBondContact N-O 3.25Å; P631-M635 HydrophobicContact CB-CE 4.49Å; P631-M635 WeakPolarHBondContact O-CE 3.13Å; F632-M635 HydrophobicContact CD1-SD 4.37Å; F632-M635 WeakPolarHBondContact O-CB 3.44Å; F632-M635 WeakPolarHBondContact O-CG 3.48Å; F632-M635 PolarHBondContact O-N 3.11Å; F632-M635 VanDerWaalsContact O-N 3.12Å; L633-M635 VanDerWaalsContact C-N 3.29Å; L633-M635 PolarHBondContact O-N 3.33Å; M635-A640 HydrophobicContact CB-CB 4.14Å; M635-A643 HydrophobicContact CE-CB 4.4Å; M635-A643 HydrophobicContact SD-CB 3.9Å
636K95.3Very high95.2Very high77 Ų7751.5 Ų51.534%0.33529%0.292SS..BIsolated β-bridgetrans-73.6144.7169.2-72.8-178.8175.91770111.1G511 Y512 L624 F638 E639 A640G511-K636 PolarHBondContact O-NZ 3.18Å; Y512-K636 HydrophobicContact CE1-CB 3.96Å; Y512-K636 HydrophobicContact CE1-CD 4.11Å; L624-K636 HydrophobicContact CD2-CG 3.67Å; K636-F638 VanDerWaalsContact C-N 3.33Å; K636-F638 PolarHBondContact O-N 3.16Å; K636-F638 VanDerWaalsContact O-N 3.11Å; K636-E639 HydrophobicContact CB-CB 4.33Å; K636-E639 HydrophobicContact CB-CG 4.24Å; K636-E639 PolarHBondContact O-N 2.83Å; K636-A640 WeakPolarHBondContact O-CB 3.41Å; K636-A640 PolarHBondContact O-N 3.39Å
637R94.6Very high95.3Very high3 Ų349.6 Ų49.61%0.01128%0.284CS..Hα-helixtrans-47-43.7-175.861.7177.7178.6171.1-1.5115.9Y512 L619 G623 R641 D672 I673 E675Y512-R637 VanDerWaalsContact OH-CG 3.27Å; Y512-R637 WeakPolarHBondContact OH-CG 3.38Å; L619-R637 HydrophobicContact CD1-CB 4.49Å; L619-R637 HydrophobicContact CD2-CB 3.94Å; G623-R637 PolarHBondContact O-N 3.09Å; R637-R641 PolarHBondContact O-N 2.72Å; R637-D672 IonicContact NH2-OD1 3.49Å; R637-D672 PolarHBondContact NH2-OD1 3.34Å; R637-D672 IonicContact NH2-OD2 2.8Å; R637-I673 PolarHBondContact NH1-O 2.99Å; R637-I673 PolarHBondContact NH2-O 3.36Å; R637-E675 WeakPolarHBondContact CD-OE2 3.48Å; R637-E675 IonicContact CZ-OE2 2.84Å; R637-E675 IonicContact NH1-OE2 3.26Å; R637-E675 PolarHBondContact NH1-OE2 3.39Å
638F96.1Very high95.4Very high11 Ų1144.2 Ų44.25%0.04826%0.255CS..Hα-helixtrans-87.7-18.2-178.9-57.5-53.6000113.9V509 Y512 V516 F518 K636 R641 I673V509-F638 HydrophobicContact CB-CE2 4.49Å; V509-F638 HydrophobicContact CG1-CD2 4.09Å; V509-F638 HydrophobicContact CG1-CE2 3.73Å; V509-F638 HydrophobicContact CG2-CD2 4.46Å; V509-F638 HydrophobicContact CG2-CE2 4.25Å; Y512-F638 HydrophobicContact CD1-CB 4.28Å; Y512-F638 HydrophobicContact CD2-CD2 4.18Å; Y512-F638 HydrophobicContact CE1-CB 3.67Å; Y512-F638 HydrophobicContact CE1-CD2 4.07Å; Y512-F638 HydrophobicContact CE1-CG 4.36Å; Y512-F638 AromaticContact CE2-CD2 3.57Å; Y512-F638 HydrophobicContact CE2-CD2 3.57Å; Y512-F638 HydrophobicContact CE2-CE2 4.22Å; Y512-F638 AromaticContact CZ-CD2 3.48Å; Y512-F638 VanDerWaalsContact CZ-CD2 3.48Å; Y512-F638 PolarHBondContact OH-N 3.09Å; V516-F638 HydrophobicContact CB-CG 4.44Å; V516-F638 HydrophobicContact CG1-CB 3.84Å; V516-F638 HydrophobicContact CG1-CD1 3.75Å; V516-F638 HydrophobicContact CG1-CD2 4.24Å; V516-F638 HydrophobicContact CG1-CE1 4.4Å; V516-F638 HydrophobicContact CG1-CG 3.67Å; V516-F638 HydrophobicContact CG2-CB 3.82Å; V516-F638 HydrophobicContact CG2-CD2 3.97Å; V516-F638 HydrophobicContact CG2-CG 3.97Å; F518-F638 HydrophobicContact CE1-CE1 4.17Å; F518-F638 HydrophobicContact CE1-CZ 4.43Å; F518-F638 AromaticContact CZ-CE1 3.94Å; F518-F638 HydrophobicContact CZ-CE1 3.94Å; F518-F638 AromaticContact CZ-CZ 3.96Å; F518-F638 HydrophobicContact CZ-CZ 3.96Å; K636-F638 VanDerWaalsContact C-N 3.33Å; K636-F638 PolarHBondContact O-N 3.16Å; K636-F638 VanDerWaalsContact O-N 3.11Å; F638-R641 WeakPolarHBondContact O-CB 3.46Å; F638-I673 HydrophobicContact CE2-CB 4.46Å; F638-I673 HydrophobicContact CE2-CG1 4.48Å; F638-I673 HydrophobicContact CZ-CB 4.05Å; F638-I673 HydrophobicContact CZ-CG1 4.26Å; F638-I673 HydrophobicContact CZ-CG2 4.33Å
639E95.6Very high95.5Very high102 Ų10248 Ų4848%0.47727%0.271SS..Hα-helixtrans-74-40.3167.4-68.4169.9-169.900109.8Y512 K636 R641 T642 A643Y512-E639 HydrophobicContact CE1-CG 4.28Å; K636-E639 HydrophobicContact CB-CB 4.33Å; K636-E639 HydrophobicContact CB-CG 4.24Å; K636-E639 PolarHBondContact O-N 2.83Å; E639-R641 VanDerWaalsContact C-N 3.27Å; E639-R641 PolarHBondContact O-N 2.86Å; E639-T642 PolarHBondContact O-N 3.1Å; E639-T642 VanDerWaalsContact O-N 3.17Å; E639-A643 PolarHBondContact O-N 3.03Å; E639-A643 VanDerWaalsContact O-N 3.07Å
640A96.1Very high95.7Very high0 Ų052.1 Ų52.10%029%0.291CS..Hα-helixtrans-60.6-34.7173.500000112.3E543 L625 M635 K636 T642 A643 V644E543-A640 HydrophobicContact CB-CB 4.47Å; L625-A640 HydrophobicContact CD1-CB 3.5Å; L625-A640 VanDerWaalsContact CD1-CB 3.5Å; L625-A640 HydrophobicContact CD2-CB 3.53Å; L625-A640 HydrophobicContact CG-CB 4.2Å; M635-A640 HydrophobicContact CB-CB 4.14Å; K636-A640 WeakPolarHBondContact O-CB 3.41Å; K636-A640 PolarHBondContact O-N 3.39Å; A640-T642 VanDerWaalsContact C-N 3.3Å; A640-T642 PolarHBondContact O-N 2.96Å; A640-A643 PolarHBondContact O-N 3.07Å; A640-V644 WeakPolarHBondContact O-CB 3.43Å; A640-V644 VanDerWaalsContact O-CG2 3.24Å; A640-V644 WeakPolarHBondContact O-CG2 3.24Å; A640-V644 PolarHBondContact O-N 3.06Å
641R95.9Very high95.9Very high29 Ų2953.5 Ų53.511%0.10928%0.282CS..Hα-helixtrans-52.1-49.3172.6-178.1177.8-70.5177.7-0.3111.8E517 I542 E543 R637 F638 E639 L645E517-R641 PolarHBondContact O-NH1 2.97Å; I542-R641 HydrophobicContact CG2-CG 3.73Å; E543-R641 HydrophobicContact CB-CB 4.16Å; E543-R641 IonicContact OE1-CZ 3.78Å; E543-R641 IonicContact OE1-NE 2.95Å; E543-R641 PolarHBondContact OE1-NE 2.81Å; E543-R641 IonicContact OE1-NH2 3.96Å; E543-R641 PolarHBondContact OE1-NH2 3.04Å; E543-R641 WeakPolarHBondContact OE2-CB 3.43Å; E543-R641 WeakPolarHBondContact OE2-CG 3.45Å; E543-R641 IonicContact OE2-CZ 3.74Å; E543-R641 IonicContact OE2-NE 2.74Å; E543-R641 PolarHBondContact OE2-NE 3.06Å; E543-R641 IonicContact OE2-NH2 2.59Å; E543-R641 PolarHBondContact OE2-NH2 3.16Å; R637-R641 PolarHBondContact O-N 2.72Å; F638-R641 WeakPolarHBondContact O-CB 3.46Å; E639-R641 VanDerWaalsContact C-N 3.27Å; E639-R641 PolarHBondContact O-N 2.86Å; R641-L645 WeakPolarHBondContact O-CB 3.36Å; R641-L645 PolarHBondContact O-N 2.75Å; R641-L645 VanDerWaalsContact O-N 3.14Å
642T94.8Very high96Very high96 Ų9651.5 Ų51.559%0.58928%0.278SS*.Hα-helixtrans-68.3-43.2178.9-53.40000111.4E639 A640 L645 Q646E639-T642 PolarHBondContact O-N 3.1Å; E639-T642 VanDerWaalsContact O-N 3.17Å; A640-T642 VanDerWaalsContact C-N 3.3Å; A640-T642 PolarHBondContact O-N 2.96Å; T642-L645 PolarHBondContact O-N 3.29Å; T642-Q646 PolarHBondContact O-N 3.29Å
643A96.4Very high95.9Very high29 Ų2952 Ų5224%0.2428%0.281CS..Hα-helixtrans-63.7-44.7-18000000112.6F632 M635 E639 A640 Q646 A647F632-A643 HydrophobicContact CD1-CB 4.28Å; F632-A643 HydrophobicContact CE1-CB 4.22Å; M635-A643 HydrophobicContact CE-CB 4.4Å; M635-A643 HydrophobicContact SD-CB 3.9Å; E639-A643 PolarHBondContact O-N 3.03Å; E639-A643 VanDerWaalsContact O-N 3.07Å; A640-A643 PolarHBondContact O-N 3.07Å; A643-Q646 PolarHBondContact O-N 3.14Å; A643-A647 WeakPolarHBondContact O-CB 3.38Å; A643-A647 PolarHBondContact O-N 3.36Å
644V97.3Very high96Very high0 Ų049.5 Ų49.50%027%0.266CS..Hα-helixtrans-63-45.5177.1170.50000110.3I542 M545 L546 F572 F632 A640 Q646 A647 L648I542-V644 HydrophobicContact CG1-CG1 3.97Å; M545-V644 HydrophobicContact CG-CG1 3.89Å; M545-V644 HydrophobicContact SD-CG1 4.11Å; L546-V644 HydrophobicContact CD1-CG2 3.81Å; L546-V644 HydrophobicContact CD2-CG2 4.28Å; L546-V644 HydrophobicContact CG-CG2 4.1Å; F572-V644 HydrophobicContact CE2-CG1 4.06Å; F632-V644 HydrophobicContact CD1-CG2 3.88Å; F632-V644 HydrophobicContact CE1-CB 4.41Å; F632-V644 HydrophobicContact CE1-CG2 3.66Å; F632-V644 HydrophobicContact CG-CG2 4.48Å; F632-V644 HydrophobicContact CZ-CG2 4.09Å; A640-V644 WeakPolarHBondContact O-CB 3.43Å; A640-V644 VanDerWaalsContact O-CG2 3.24Å; A640-V644 WeakPolarHBondContact O-CG2 3.24Å; A640-V644 PolarHBondContact O-N 3.06Å; V644-Q646 VanDerWaalsContact C-N 3.32Å; V644-Q646 PolarHBondContact O-N 2.88Å; V644-A647 PolarHBondContact O-N 3.5Å; V644-L648 HydrophobicContact CG1-CD1 4.15Å; V644-L648 HydrophobicContact CG1-CG 4.49Å; V644-L648 WeakPolarHBondContact O-CG 3.19Å; V644-L648 PolarHBondContact O-N 2.78Å
645L96.2Very high96Very high26 Ų2651.1 Ų51.114%0.13626%0.259CS..Hα-helixtrans-59.2-44178.1-177.967.2000111.8V522 R641 T642 L648 K649 F654 I657V522-L645 HydrophobicContact CG1-CD1 3.92Å; R641-L645 WeakPolarHBondContact O-CB 3.36Å; R641-L645 PolarHBondContact O-N 2.75Å; R641-L645 VanDerWaalsContact O-N 3.14Å; T642-L645 PolarHBondContact O-N 3.29Å; L645-L648 PolarHBondContact O-N 2.8Å; L645-K649 WeakPolarHBondContact O-CG 3.47Å; L645-K649 PolarHBondContact O-N 2.96Å; L645-K649 VanDerWaalsContact O-N 3.14Å; L645-F654 HydrophobicContact CD1-CD2 3.59Å; L645-F654 HydrophobicContact CD1-CE2 3.72Å; L645-I657 HydrophobicContact CD1-CD1 4.19Å; L645-I657 HydrophobicContact CD2-CD1 3.85Å
646Q96.7Very high96Very high92 Ų9252 Ų5243%0.4326%0.263SS..Hα-helixtrans-65-44.8176.5-171.658.145.600111.4T642 A643 V644 L648 K649 D650T642-Q646 PolarHBondContact O-N 3.29Å; A643-Q646 PolarHBondContact O-N 3.14Å; V644-Q646 VanDerWaalsContact C-N 3.32Å; V644-Q646 PolarHBondContact O-N 2.88Å; Q646-L648 VanDerWaalsContact C-N 3.26Å; Q646-L648 PolarHBondContact O-N 2.87Å; Q646-K649 WeakPolarHBondContact O-CB 3.43Å; Q646-K649 PolarHBondContact O-N 3.31Å; Q646-D650 PolarHBondContact NE2-OD1 3.18Å; Q646-D650 PolarHBondContact O-N 2.92Å
647A96.8Very high96.1Very high13 Ų1350.5 Ų50.511%0.10726%0.258CS..Hα-helixtrans-63-30.117900000113.5F572 F632 A643 V644 R651F572-A647 HydrophobicContact CE1-CB 3.61Å; F572-A647 HydrophobicContact CZ-CB 3.77Å; F632-A647 HydrophobicContact CE1-CB 4.39Å; F632-A647 HydrophobicContact CZ-CB 3.98Å; A643-A647 WeakPolarHBondContact O-CB 3.38Å; A643-A647 PolarHBondContact O-N 3.36Å; V644-A647 PolarHBondContact O-N 3.5Å; A647-R651 WeakPolarHBondContact O-CG 3.5Å; A647-R651 PolarHBondContact O-N 3.48Å
648L96.8Very high96.1Very high0 Ų055.6 Ų55.60%028%0.28CS..Hα-helixtrans-72.3-36.9171.9-73.1172.5000112.4F524 I542 M545 P571 F572 V644 L645 Q646 R651 G652 Q653 F654F524-L648 HydrophobicContact CB-CD1 4.08Å; F524-L648 HydrophobicContact CD2-CD1 4.02Å; F524-L648 HydrophobicContact CD2-CD2 4.18Å; F524-L648 HydrophobicContact CG-CD1 4.04Å; I542-L648 HydrophobicContact CD1-CD1 3.69Å; I542-L648 HydrophobicContact CG1-CD1 3.87Å; M545-L648 HydrophobicContact SD-CD1 4.39Å; M545-L648 HydrophobicContact SD-CD2 4.4Å; P571-L648 HydrophobicContact CB-CD2 4.25Å; P571-L648 HydrophobicContact CG-CD2 4.12Å; F572-L648 HydrophobicContact CE2-CD2 4Å; F572-L648 HydrophobicContact CE2-CG 4.22Å; F572-L648 HydrophobicContact CZ-CD2 3.71Å; F572-L648 HydrophobicContact CZ-CG 3.82Å; V644-L648 HydrophobicContact CG1-CD1 4.15Å; V644-L648 HydrophobicContact CG1-CG 4.49Å; V644-L648 WeakPolarHBondContact O-CG 3.19Å; V644-L648 PolarHBondContact O-N 2.78Å; L645-L648 PolarHBondContact O-N 2.8Å; Q646-L648 VanDerWaalsContact C-N 3.26Å; Q646-L648 PolarHBondContact O-N 2.87Å; L648-R651 PolarHBondContact O-N 3.39Å; L648-G652 PolarHBondContact O-N 3.1Å; L648-Q653 HydrophobicContact CD2-CB 4.18Å; L648-Q653 PolarHBondContact O-N 3.09Å; L648-F654 HydrophobicContact CB-CB 4.16Å; L648-F654 PolarHBondContact O-N 3.04Å
649K96.6Very high96.1Very high91 Ų9159.7 Ų59.740%0.39630%0.303SS..Hα-helixtrans-64.3-45.7173.8-73.1173.6-178.9176.30111.2L645 Q646 R651 G652 F654L645-K649 WeakPolarHBondContact O-CG 3.47Å; L645-K649 PolarHBondContact O-N 2.96Å; L645-K649 VanDerWaalsContact O-N 3.14Å; Q646-K649 WeakPolarHBondContact O-CB 3.43Å; Q646-K649 PolarHBondContact O-N 3.31Å; K649-R651 PolarHBondContact O-N 3.36Å; K649-G652 PolarHBondContact O-N 3.5Å; K649-F654 HydrophobicContact CB-CB 4.44Å; K649-F654 HydrophobicContact CD-CD1 4.45Å; K649-F654 HydrophobicContact CG-CB 3.73Å; K649-F654 HydrophobicContact CG-CD1 3.69Å; K649-F654 HydrophobicContact CG-CD2 4.48Å; K649-F654 HydrophobicContact CG-CE1 4.46Å; K649-F654 HydrophobicContact CG-CG 3.69Å
650D96.4Very high96Very high115 Ų11555.9 Ų55.962%0.61529%0.286SS*.Hα-helixtrans-62.2-25.6179.4-59.7-18.4000112.1Q646Q646-D650 PolarHBondContact NE2-OD1 3.18Å; Q646-D650 PolarHBondContact O-N 2.92Å
651R94.3Very high95.9Very high137 Ų13760.1 Ų60.152%0.51731%0.313SS..THydrogen-bonded Turntrans-92.5-1.8175.6-73.2176.7165.868.81.8114.6P571 A647 L648 K649 Q653P571-R651 PolarHBondContact O-NE 2.92Å; A647-R651 WeakPolarHBondContact O-CG 3.5Å; A647-R651 PolarHBondContact O-N 3.48Å; L648-R651 PolarHBondContact O-N 3.39Å; K649-R651 PolarHBondContact O-N 3.36Å; R651-Q653 HydrophobicContact CB-CG 4.37Å; R651-Q653 PolarHBondContact O-N 3.14Å
652G94.8Very high95.8Very high50 Ų5060.6 Ų60.652%0.51532%0.317SS..THydrogen-bonded Turntrans68.313-17700000115.3L648 K649L648-G652 PolarHBondContact O-N 3.1Å; K649-G652 PolarHBondContact O-N 3.5Å
653Q95.7Very high95.7Very high14 Ų1459.6 Ų59.67%0.06531%0.311CS..  trans-93.8-15.4-177.8-69.2-179.5-75.200113F524 A525 L648 R651F524-Q653 CarbonylContact C-O 3.56Å; F524-Q653 VanDerWaalsContact CA-O 3.29Å; F524-Q653 WeakPolarHBondContact CA-O 3.09Å; A525-Q653 PolarHBondContact N-O 2.9Å; A525-Q653 PolarHBondContact O-NE2 2.94Å; A525-Q653 VanDerWaalsContact O-NE2 3.13Å; L648-Q653 HydrophobicContact CD2-CB 4.18Å; L648-Q653 PolarHBondContact O-N 3.09Å; R651-Q653 HydrophobicContact CB-CG 4.37Å; R651-Q653 PolarHBondContact O-N 3.14Å
654F97.3Very high95.6Very high50 Ų5058.3 Ų58.322%0.21930%0.3CS..EExtended strand (participates in β ladder)trans-68.3134.9168.8170.1-98.8000111V522 L645 L648 K649 E656 I657V522-F654 HydrophobicContact CG1-CD2 4.3Å; V522-F654 HydrophobicContact CG1-CE2 4.14Å; L645-F654 HydrophobicContact CD1-CD2 3.59Å; L645-F654 HydrophobicContact CD1-CE2 3.72Å; L648-F654 HydrophobicContact CB-CB 4.16Å; L648-F654 PolarHBondContact O-N 3.04Å; K649-F654 HydrophobicContact CB-CB 4.44Å; K649-F654 HydrophobicContact CD-CD1 4.45Å; K649-F654 HydrophobicContact CG-CB 3.73Å; K649-F654 HydrophobicContact CG-CD1 3.69Å; K649-F654 HydrophobicContact CG-CD2 4.48Å; K649-F654 HydrophobicContact CG-CE1 4.46Å; K649-F654 HydrophobicContact CG-CG 3.69Å; F654-E656 WeakPolarHBondContact CE2-O 3.4Å; F654-I657 HydrophobicContact CE2-CD1 4.04Å; F654-I657 HydrophobicContact CE2-CG1 3.52Å; F654-I657 HydrophobicContact CZ-CD1 4.25Å; F654-I657 HydrophobicContact CZ-CG1 3.69Å
655K96.5Very high95.4Very high83 Ų8360.6 Ų60.636%0.36131%0.314SS..EExtended strand (participates in β ladder)trans-109.8-58.4179.7-55.7-57.2-179.8-173.30112.5S523 E534 I536S523-K655 WeakPolarHBondContact O-CB 3.42Å; S523-K655 PolarHBondContact O-N 3.09Å; E534-K655 WeakPolarHBondContact OE2-CE 3.25Å; E534-K655 IonicContact OE2-NZ 3.15Å; E534-K655 PolarHBondContact OE2-NZ 2.85Å; I536-K655 HydrophobicContact CD1-CG 4.31Å; I536-K655 HydrophobicContact CG1-CG 4.46Å; I536-K655 HydrophobicContact CG2-CG 4.13Å
656E96.4Very high95.3Very high75 Ų7560.1 Ų60.135%0.3531%0.313SS..EExtended strand (participates in β ladder)trans-160.7165-177.557.5174.9-173.800112.7S523 F654 K658S523-E656 PolarHBondContact N-O 3.11Å; S523-E656 PolarHBondContact O-N 3.15Å; F654-E656 WeakPolarHBondContact CE2-O 3.4Å; E656-K658 VanDerWaalsContact CD-CE 3.4Å; E656-K658 VanDerWaalsContact OE1-CE 3.29Å; E656-K658 WeakPolarHBondContact OE1-CE 3.46Å; E656-K658 IonicContact OE1-NZ 3.98Å; E656-K658 PolarHBondContact OE1-NZ 3.42Å; E656-K658 WeakPolarHBondContact OE2-CE 3.42Å; E656-K658 IonicContact OE2-NZ 2.95Å; E656-K658 PolarHBondContact OE2-NZ 3.43Å
657I96.5Very high94.8Very high44 Ų4455.8 Ų55.823%0.22629%0.292CS..EExtended strand (participates in β ladder)trans-126.1126.6165.7-58.3-178.6000107.6V520 L521 V522 L645 F654V520-I657 HydrophobicContact CB-CG2 3.72Å; V520-I657 HydrophobicContact CG1-CG2 4.08Å; V520-I657 HydrophobicContact CG2-CG2 4.3Å; L521-I657 WeakPolarHBondContact O-CA 3.43Å; V522-I657 HydrophobicContact CG1-CG1 4.37Å; V522-I657 HydrophobicContact CG2-CD1 4.33Å; V522-I657 HydrophobicContact CG2-CG1 4.12Å; L645-I657 HydrophobicContact CD1-CD1 4.19Å; L645-I657 HydrophobicContact CD2-CD1 3.85Å; F654-I657 HydrophobicContact CE2-CD1 4.04Å; F654-I657 HydrophobicContact CE2-CG1 3.52Å; F654-I657 HydrophobicContact CZ-CD1 4.25Å; F654-I657 HydrophobicContact CZ-CG1 3.69Å
658K95.6Very high93.8Very high110 Ų11056.1 Ų56.148%0.47829%0.294SS..EExtended strand (participates in β ladder)trans-117.8151.9175.8-75.5172.4168.41530110.7V520 L521 E656V520-K658 CarbonylContact C-O 3.42Å; V520-K658 VanDerWaalsContact CA-O 3.28Å; V520-K658 WeakPolarHBondContact CA-O 3.24Å; L521-K658 PolarHBondContact N-O 3.47Å; L521-K658 PolarHBondContact O-N 3.04Å; E656-K658 VanDerWaalsContact CD-CE 3.4Å; E656-K658 VanDerWaalsContact OE1-CE 3.29Å; E656-K658 WeakPolarHBondContact OE1-CE 3.46Å; E656-K658 IonicContact OE1-NZ 3.98Å; E656-K658 PolarHBondContact OE1-NZ 3.42Å; E656-K658 WeakPolarHBondContact OE2-CE 3.42Å; E656-K658 IonicContact OE2-NZ 2.95Å; E656-K658 PolarHBondContact OE2-NZ 3.43Å
659D95.5Very high92.8Very high98 Ų9861.4 Ų61.452%0.52431%0.314SS..EExtended strand (participates in β ladder)trans-69135.6171.4-74.814.8000109.3R504R504-D659 WeakPolarHBondContact CB-OD1 3.4Å; R504-D659 IonicContact CZ-OD1 2.96Å; R504-D659 IonicContact NE-OD1 2.8Å; R504-D659 PolarHBondContact NE-OD1 2.94Å; R504-D659 IonicContact NH2-OD1 3.4Å; R504-D659 PolarHBondContact NH2-OD1 2.55Å
660N94.1Very high92.1Very high22 Ų2258.1 Ų58.112%0.11830%0.302CS..  trans-141117.5-172.9178.466.3000110.7G519 L521 M662G519-N660 CarbonylContact C-O 3.56Å; G519-N660 WeakPolarHBondContact CA-O 3.24Å; G519-N660 PolarHBondContact O-N 2.87Å; G519-N660 VanDerWaalsContact O-O 3.08Å; L521-N660 HydrophobicContact CB-CB 3.72Å; N660-M662 PolarHBondContact O-N 3.05Å
661P93.4Very high91.6Very high89 Ų8957.4 Ų57.458%0.57829%0.294SS*.  trans-57.2134.1168.3-21.132000110.5L501L501-P661 CarbonylContact O-C 3.53Å; L501-P661 WeakPolarHBondContact O-CA 3.35Å
662M93.4Very high91.5Very high38 Ų3851 Ų5119%0.18727%0.27CS..EExtended strand (participates in β ladder)trans-153.1163.6-179.873.2177.6-62.300112.5L501 F518 G519 T540 N660 V664L501-M662 HydrophobicContact CB-CG 4.32Å; L501-M662 HydrophobicContact CD1-CG 4.11Å; L501-M662 PolarHBondContact N-O 3.06Å; L501-M662 PolarHBondContact O-N 3.08Å; F518-M662 HydrophobicContact CB-SD 4.3Å; G519-M662 PolarHBondContact N-SD 3.39Å; T540-M662 HydrophobicContact CG2-CE 4.42Å; T540-M662 HydrophobicContact CG2-SD 4.5Å; N660-M662 PolarHBondContact O-N 3.05Å; M662-V664 HydrophobicContact CE-CG2 3.88Å; M662-V664 HydrophobicContact CG-CG2 4.08Å; M662-V664 HydrophobicContact SD-CG2 4Å
663V93.8Very high91.5Very high76 Ų7649.3 Ų49.346%0.46125%0.249SC..EExtended strand (participates in β ladder)trans-106.6119.9170.9-174.90000108.8K498 K499 E500K498-V663 HydrophobicContact CB-CG1 3.68Å; K498-V663 HydrophobicContact CD-CG1 4.4Å; K498-V663 HydrophobicContact CG-CG1 4.09Å; K499-V663 WeakPolarHBondContact O-CA 3.48Å; E500-V663 HydrophobicContact CG-CG2 4.22Å
664V93.9Very high91.5Very high1 Ų148.9 Ų48.91%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-98.3123.2176.8-1800000109.3K499 L501 F518 M662 V666 I673K499-V664 PolarHBondContact N-O 3.22Å; K499-V664 PolarHBondContact O-N 3.16Å; L501-V664 HydrophobicContact CD1-CG2 3.5Å; L501-V664 HydrophobicContact CG-CG2 4.16Å; F518-V664 HydrophobicContact CB-CG2 4.17Å; F518-V664 HydrophobicContact CD1-CG1 4.48Å; F518-V664 HydrophobicContact CD1-CG2 4.09Å; F518-V664 HydrophobicContact CG-CG2 4.25Å; M662-V664 HydrophobicContact CE-CG2 3.88Å; M662-V664 HydrophobicContact CG-CG2 4.08Å; M662-V664 HydrophobicContact SD-CG2 4Å; V664-V666 HydrophobicContact CG1-CG2 4.22Å; V664-I673 HydrophobicContact CG1-CD1 3.63Å; V664-I673 HydrophobicContact CG1-CG1 4.41Å; V664-I673 HydrophobicContact CG1-CG2 3.98Å
665P93.9Very high91.3Very high48 Ų4846.6 Ų46.631%0.31224%0.237SC..EExtended strand (participates in β ladder)trans-77.5122.8175.132-33.5000110.2V496 V674V496-P665 HydrophobicContact CG1-CB 3.36Å; P665-V674 HydrophobicContact CB-CB 3.99Å; P665-V674 HydrophobicContact CB-CG2 4.31Å; P665-V674 HydrophobicContact CG-CB 4.2Å; P665-V674 PolarHBondContact O-N 2.92Å
666V93.1Very high91.2Very high17 Ų1743.3 Ų43.310%0.10322%0.224CC..EExtended strand (participates in β ladder)trans-120.9129.9-176.7-177.90000109.4V496 D497 K499 V664 S668 K671 D672 I673V496-V666 CarbonylContact C-O 3.5Å; V496-V666 WeakPolarHBondContact CA-O 3.38Å; D497-V666 HydrophobicContact CB-CB 4.35Å; D497-V666 PolarHBondContact N-O 3.18Å; D497-V666 PolarHBondContact O-N 2.94Å; K499-V666 HydrophobicContact CB-CG2 4.05Å; V664-V666 HydrophobicContact CG1-CG2 4.22Å; V666-S668 PolarHBondContact O-N 2.86Å; V666-K671 HydrophobicContact CG1-CB 4.49Å; V666-K671 HydrophobicContact CG1-CD 4.48Å; V666-D672 CarbonylContact C-O 3.55Å; V666-D672 WeakPolarHBondContact CA-O 3.4Å; V666-I673 HydrophobicContact CG2-CD1 3.93Å
667C86.9Confident90.9Very high0 Ų039.8 Ų39.80%021%0.208CC..EExtended strand (participates in β ladder)trans-61.9121.9173.7177.20000109.6I491 R669 S670 K671 D672 V674I491-C667 HydrophobicContact CD1-CB 3.95Å; C667-R669 PolarHBondContact O-N 3.24Å; C667-S670 VanDerWaalsContact CB-OG 3.3Å; C667-S670 WeakPolarHBondContact CB-OG 3.31Å; C667-S670 PolarHBondContact SG-OG 2.96Å; C667-K671 WeakPolarHBondContact O-CA 3.25Å; C667-K671 PolarHBondContact O-N 2.97Å; C667-D672 PolarHBondContact N-O 2.95Å; C667-V674 HydrophobicContact CB-CG2 4.28Å
668S75.3Confident90.6Very high21 Ų2138.6 Ų38.615%0.14720%0.202CC..THydrogen-bonded Turntrans-60.3-23.2-17861.70000113.7E495 D497 V666 K671E495-S668 VanDerWaalsContact O-CB 3.26Å; E495-S668 WeakPolarHBondContact O-CB 3.43Å; E495-S668 PolarHBondContact O-N 3.26Å; E495-S668 PolarHBondContact O-OG 2.9Å; D497-S668 WeakPolarHBondContact OD1-CB 3.37Å; D497-S668 WeakPolarHBondContact OD2-CA 3.21Å; V666-S668 PolarHBondContact O-N 2.86Å; S668-K671 WeakPolarHBondContact O-CE 3.42Å; S668-K671 PolarHBondContact O-NZ 3.49Å
669R76.4Confident90.2Very high111 Ų11135.4 Ų35.442%0.41919%0.188SC..THydrogen-bonded Turntrans-97.1-55.8-176-54.6-55.5-177.1-157.7-1113.6L487 C667L487-R669 HydrophobicContact CD1-CB 4.29Å; C667-R669 PolarHBondContact O-N 3.24Å
670S81.6Confident89.9Confident21 Ų2132.6 Ų32.615%0.14718%0.175CC..THydrogen-bonded Turntrans-84.9-17.6-178.160.40000113.5S484 P510 C667 D672S484-S670 PolarHBondContact OG-OG 2.9Å; P510-S670 WeakPolarHBondContact CG-O 3.41Å; C667-S670 VanDerWaalsContact CB-OG 3.3Å; C667-S670 WeakPolarHBondContact CB-OG 3.31Å; C667-S670 PolarHBondContact SG-OG 2.96Å; S670-D672 PolarHBondContact O-N 3.29Å; S670-D672 WeakPolarHBondContact OG-CB 3.44Å; S670-D672 PolarHBondContact OG-N 3.18Å
671K85.8Confident89.8Confident101 Ų10131.5 Ų31.544%0.43917%0.169SC..  trans6315.7-169.5-51.9-50.6-169.6-169.10114.3D497 V666 C667 S668D497-K671 IonicContact OD2-NZ 2.64Å; D497-K671 PolarHBondContact OD2-NZ 3.18Å; D497-K671 VanDerWaalsContact OD2-NZ 3.15Å; V666-K671 HydrophobicContact CG1-CB 4.49Å; V666-K671 HydrophobicContact CG1-CD 4.48Å; C667-K671 WeakPolarHBondContact O-CA 3.25Å; C667-K671 PolarHBondContact O-N 2.97Å; S668-K671 WeakPolarHBondContact O-CE 3.42Å; S668-K671 PolarHBondContact O-NZ 3.49Å
672D92.3Very high89.9Confident3 Ų327.3 Ų27.32%0.01614%0.142CC..PPolyproline II helixtrans-73.3156.3171.8-161.73.8000111.9C485 T486 V509 P510 R637 V666 C667 S670C485-D672 PolarHBondContact N-OD2 3.42Å; T486-D672 PolarHBondContact N-OD2 2.64Å; T486-D672 WeakPolarHBondContact OG1-CB 3.17Å; T486-D672 PolarHBondContact OG1-OD2 3.39Å; V509-D672 WeakPolarHBondContact CG1-OD1 3.47Å; P510-D672 HydrophobicContact CG-CB 4.1Å; R637-D672 IonicContact NH2-OD1 3.49Å; R637-D672 PolarHBondContact NH2-OD1 3.34Å; R637-D672 IonicContact NH2-OD2 2.8Å; V666-D672 CarbonylContact C-O 3.55Å; V666-D672 WeakPolarHBondContact CA-O 3.4Å; C667-D672 PolarHBondContact N-O 2.95Å; S670-D672 PolarHBondContact O-N 3.29Å; S670-D672 WeakPolarHBondContact OG-CB 3.44Å; S670-D672 PolarHBondContact OG-N 3.18Å
673I95.1Very high89.9Confident13 Ų1326.1 Ų26.17%0.06714%0.135CC..BIsolated β-bridgetrans-78.3124.5172.3-53.8-48.8000108.3V509 F518 R637 F638 V664 V666 E675V509-I673 HydrophobicContact CG1-CG1 4.41Å; V509-I673 HydrophobicContact CG2-CG1 3.92Å; F518-I673 HydrophobicContact CE1-CG1 4.38Å; F518-I673 HydrophobicContact CE1-CG2 4.38Å; F518-I673 HydrophobicContact CE2-CG1 4.29Å; F518-I673 HydrophobicContact CZ-CD1 4.38Å; F518-I673 HydrophobicContact CZ-CG1 3.73Å; F518-I673 HydrophobicContact CZ-CG2 4.5Å; R637-I673 PolarHBondContact NH1-O 2.99Å; R637-I673 PolarHBondContact NH2-O 3.36Å; F638-I673 HydrophobicContact CE2-CB 4.46Å; F638-I673 HydrophobicContact CE2-CG1 4.48Å; F638-I673 HydrophobicContact CZ-CB 4.05Å; F638-I673 HydrophobicContact CZ-CG1 4.26Å; F638-I673 HydrophobicContact CZ-CG2 4.33Å; V664-I673 HydrophobicContact CG1-CD1 3.63Å; V664-I673 HydrophobicContact CG1-CG1 4.41Å; V664-I673 HydrophobicContact CG1-CG2 3.98Å; V666-I673 HydrophobicContact CG2-CD1 3.93Å; I673-E675 PolarHBondContact O-N 3.22Å
674V94.3Very high90Very high6 Ų622.6 Ų22.64%0.03611%0.114CC..PPolyproline II helixtrans-67.7133.8-176.1178.80000110N482 I491 V496 P665 C667N482-V674 HydrophobicContact CB-CG1 3.5Å; I491-V674 HydrophobicContact CD1-CG2 3.91Å; V496-V674 HydrophobicContact CB-CG2 4.44Å; V496-V674 HydrophobicContact CG1-CG2 3.87Å; V496-V674 HydrophobicContact CG2-CG1 4.31Å; V496-V674 HydrophobicContact CG2-CG2 3.96Å; P665-V674 HydrophobicContact CB-CB 3.99Å; P665-V674 HydrophobicContact CB-CG2 4.31Å; P665-V674 HydrophobicContact CG-CB 4.2Å; P665-V674 PolarHBondContact O-N 2.92Å; C667-V674 HydrophobicContact CB-CG2 4.28Å
675E94.1Very high90.1Very high2 Ų224.7 Ų24.71%0.00913%0.128CC..EExtended strand (participates in β ladder)trans-105.4122.7176.8-165.657.4-115.800109.9W483 R541 H600 L619 R637 I673 L677W483-E675 WeakPolarHBondContact CA-O 3.07Å; W483-E675 HydrophobicContact CB-CB 4.39Å; W483-E675 WeakPolarHBondContact CB-O 3.48Å; W483-E675 PolarHBondContact N-O 3.5Å; W483-E675 PolarHBondContact O-N 3.07Å; R541-E675 IonicContact CZ-OE1 2.97Å; R541-E675 VanDerWaalsContact CZ-OE1 3.23Å; R541-E675 IonicContact NH1-OE1 3.14Å; R541-E675 PolarHBondContact NH1-OE1 3.13Å; R541-E675 IonicContact NH2-OE1 2.74Å; R541-E675 PolarHBondContact NH2-OE1 3.29Å; R541-E675 IonicContact NH2-OE2 2.78Å; R541-E675 PolarHBondContact NH2-OE2 3.29Å; R541-E675 VanDerWaalsContact NH2-OE2 3.08Å; H600-E675 IonicContact ND1-OE1 2.77Å; L619-E675 VanDerWaalsContact CD1-CD 3.43Å; L619-E675 HydrophobicContact CD1-CG 3.77Å; R637-E675 WeakPolarHBondContact CD-OE2 3.48Å; R637-E675 IonicContact CZ-OE2 2.84Å; R637-E675 IonicContact NH1-OE2 3.26Å; R637-E675 PolarHBondContact NH1-OE2 3.39Å; I673-E675 PolarHBondContact O-N 3.22Å; E675-L677 PolarHBondContact O-N 3.03Å
676P93.4Very high90.2Very high13 Ų1322.4 Ų22.48%0.08411%0.114CC..EExtended strand (participates in β ladder)trans-65.8112.4163.6-19.133.8000108.8L480 V481 H600L480-P676 HydrophobicContact CD1-CB 4.24Å; L480-P676 HydrophobicContact CD2-CB 4.09Å; V481-P676 WeakPolarHBondContact O-CA 3.19Å; H600-P676 WeakPolarHBondContact O-CG 3.37Å
677L91.4Very high90.2Very high1 Ų126.1 Ų26.11%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-123.2133.6-178-168.168.4000110.4V481 W483 L619 E675 K679V481-L677 WeakPolarHBondContact CG2-O 3.48Å; V481-L677 PolarHBondContact N-O 2.95Å; V481-L677 PolarHBondContact O-N 3.46Å; W483-L677 HydrophobicContact CB-CB 3.68Å; W483-L677 HydrophobicContact CB-CD2 4.23Å; W483-L677 HydrophobicContact CD2-CD2 3.76Å; W483-L677 HydrophobicContact CE3-CD2 4.25Å; W483-L677 HydrophobicContact CG-CB 4.12Å; W483-L677 HydrophobicContact CG-CD2 3.72Å; L619-L677 HydrophobicContact CB-CD1 4.4Å; E675-L677 PolarHBondContact O-N 3.03Å; L677-K679 HydrophobicContact CD2-CD 4.4Å; L677-K679 VanDerWaalsContact CD2-CE 3.44Å; L677-K679 HydrophobicContact CD2-CG 4.08Å; L677-K679 HydrophobicContact CG-CG 4.2Å; L677-K679 PolarHBondContact O-N 2.98Å
678L89.3Confident90.6Very high19 Ų1931 Ų3110%0.09916%0.16CC..EExtended strand (participates in β ladder)trans-78.8108.3-179.9-16970.2000110.5K478 L480 Y605 F615K478-L678 HydrophobicContact CD-CD2 4.07Å; K478-L678 HydrophobicContact CD-CG 4.08Å; K478-L678 HydrophobicContact CG-CD1 3.98Å; K478-L678 HydrophobicContact CG-CD2 4.24Å; K478-L678 HydrophobicContact CG-CG 3.74Å; L480-L678 HydrophobicContact CD2-CB 4.3Å; Y605-L678 HydrophobicContact CD2-CD1 4.47Å; Y605-L678 HydrophobicContact CE2-CD1 3.86Å; F615-L678 HydrophobicContact CB-CD2 4.18Å
679K87.5Confident91.6Very high44 Ų4430.5 Ų30.519%0.19116%0.155CC..EExtended strand (participates in β ladder)trans-133.6142.5-175.4-75.1-75.9176.1179.10112.7K478 R479 V481 W483 E621 L677 Q681K478-K679 WeakPolarHBondContact CA-O 3.29Å; R479-K679 PolarHBondContact N-O 3.47Å; R479-K679 PolarHBondContact O-N 3.49Å; V481-K679 HydrophobicContact CG2-CB 4.07Å; V481-K679 HydrophobicContact CG2-CG 4.16Å; W483-K679 HydrophobicContact CE3-CG 4.48Å; W483-K679 HydrophobicContact CZ3-CG 4.49Å; E621-K679 VanDerWaalsContact CD-NZ 3.29Å; E621-K679 IonicContact OE1-NZ 3.54Å; E621-K679 PolarHBondContact OE1-NZ 3.32Å; L677-K679 HydrophobicContact CD2-CD 4.4Å; L677-K679 VanDerWaalsContact CD2-CE 3.44Å; L677-K679 HydrophobicContact CD2-CG 4.08Å; L677-K679 HydrophobicContact CG-CG 4.2Å; L677-K679 PolarHBondContact O-N 2.98Å; K679-Q681 HydrophobicContact CB-CG 4.36Å; K679-Q681 PolarHBondContact O-N 3.14Å
680P89.6Confident92.6Very high38 Ų3825.2 Ų25.225%0.24714%0.135CC..EExtended strand (participates in β ladder)trans-65.2128.1164.128.1-31.9000109.3D752 M753P680-D752 WeakPolarHBondContact CB-OD2 3.37Å; P680-M753 HydrophobicContact CB-SD 3.55Å; P680-M753 VanDerWaalsContact CB-SD 3.55Å
681Q92Very high93.4Very high0 Ų029.5 Ų29.50%015%0.151CC..EExtended strand (participates in β ladder)trans-144.8164.6176.4-64.2-65.111.800111.4R476 S477 V481 K679 Y683 S726 Q728 D789R476-Q681 WeakPolarHBondContact CA-O 3.43Å; S477-Q681 PolarHBondContact N-O 3.01Å; S477-Q681 PolarHBondContact O-N 2.95Å; V481-Q681 HydrophobicContact CG1-CG 3.73Å; K679-Q681 HydrophobicContact CB-CG 4.36Å; K679-Q681 PolarHBondContact O-N 3.14Å; Q681-Y683 HydrophobicContact CB-CD2 4.41Å; Q681-Y683 HydrophobicContact CB-CE2 3.64Å; Q681-Y683 WeakPolarHBondContact O-CD2 3.35Å; Q681-S726 WeakPolarHBondContact CA-OG 3.45Å; Q681-S726 WeakPolarHBondContact CB-OG 3.47Å; Q681-S726 PolarHBondContact OE1-OG 3.08Å; Q681-Q728 VanDerWaalsContact NE2-NE2 3.15Å; Q681-Q728 VanDerWaalsContact NE2-OE1 3.1Å; Q681-D789 PolarHBondContact OE1-OD2 3Å
682W94.4Very high93.9Very high1 Ų128 Ų280%0.00415%0.145CC..EExtended strand (participates in β ladder)trans-90.2133.4172.4-67.996.5000111.2F465 H469 I474 Y475 R476 C724 I725 S726 I735 A737 W758 D787F465-W682 HydrophobicContact CZ-CD2 4.07Å; F465-W682 HydrophobicContact CZ-CE3 4Å; F465-W682 HydrophobicContact CZ-CZ3 4.22Å; H469-W682 AromaticContact CD2-CZ3 3.59Å; H469-W682 AromaticContact NE2-CH2 3.78Å; H469-W682 AromaticContact NE2-CZ3 3.66Å; I474-W682 HydrophobicContact CG2-CE3 3.6Å; I474-W682 HydrophobicContact CG2-CZ3 4.09Å; Y475-W682 WeakPolarHBondContact O-CA 3.48Å; R476-W682 HydrophobicContact CB-CD2 4.45Å; R476-W682 HydrophobicContact CB-CE3 4.18Å; R476-W682 HydrophobicContact CB-CH2 4.43Å; R476-W682 HydrophobicContact CB-CZ3 4.18Å; W682-C724 CarbonylContact O-C 3.53Å; W682-C724 WeakPolarHBondContact O-CA 3.19Å; W682-I725 HydrophobicContact CB-CD1 4.19Å; W682-I725 HydrophobicContact CB-CG1 3.76Å; W682-I725 WeakPolarHBondContact O-CG1 3.22Å; W682-I725 PolarHBondContact O-N 2.95Å; W682-S726 PolarHBondContact N-OG 2.95Å; W682-I735 VanDerWaalsContact CD1-CD1 3.45Å; W682-I735 HydrophobicContact CG-CD1 4.14Å; W682-A737 HydrophobicContact CH2-CB 3.89Å; W682-A737 HydrophobicContact CZ2-CB 3.45Å; W682-A737 VanDerWaalsContact CZ2-CB 3.45Å; W682-W758 HydrophobicContact CH2-CB 3.87Å; W682-W758 HydrophobicContact CH2-CD2 4.38Å; W682-W758 HydrophobicContact CH2-CE3 4.48Å; W682-W758 HydrophobicContact CH2-CG 4.16Å; W682-W758 HydrophobicContact CZ2-CB 4.32Å; W682-W758 AromaticContact CZ2-CD2 3.93Å; W682-W758 HydrophobicContact CZ2-CD2 3.93Å; W682-W758 AromaticContact CZ2-CE3 3.81Å; W682-W758 HydrophobicContact CZ2-CE3 3.81Å; W682-W758 HydrophobicContact CZ2-CG 4.19Å; W682-W758 HydrophobicContact CZ2-CZ3 4.4Å; W682-D787 PolarHBondContact NE1-OD2 3.29Å
683Y93.8Very high94.2Very high13 Ų1327.8 Ų27.85%0.05114%0.144CC..EExtended strand (participates in β ladder)trans-126.4146.3-179.6-66.1-93.5000111.2I474 Y475 Q681 D722 W723 C724I474-Y683 VanDerWaalsContact CA-O 3.27Å; I474-Y683 WeakPolarHBondContact CA-O 3.49Å; Y475-Y683 PolarHBondContact N-O 2.76Å; Y475-Y683 PolarHBondContact O-N 3.02Å; Q681-Y683 HydrophobicContact CB-CD2 4.41Å; Q681-Y683 HydrophobicContact CB-CE2 3.64Å; Q681-Y683 WeakPolarHBondContact O-CD2 3.35Å; Y683-D722 HydrophobicContact CD1-CB 4.42Å; Y683-W723 CarbonylContact C-O 3.57Å; Y683-W723 VanDerWaalsContact CA-O 3.26Å; Y683-W723 WeakPolarHBondContact CA-O 3.44Å; Y683-C724 HydrophobicContact CD1-CB 3.97Å; Y683-C724 HydrophobicContact CE1-CB 3.59Å
684V95.9Very high94.3Very high2 Ų227.2 Ų27.21%0.01214%0.141CC..EExtended strand (participates in β ladder)trans-97125.8164.41750000108.2M468 V473 I474 C686 M689 D722 W723 I725 F795M468-V684 HydrophobicContact CE-CG1 3.81Å; V473-V684 HydrophobicContact CG1-CG1 4.17Å; I474-V684 HydrophobicContact CD1-CG2 4.34Å; I474-V684 HydrophobicContact CG1-CG2 3.79Å; V684-C686 PolarHBondContact O-N 2.84Å; V684-C686 PolarHBondContact O-SG 3.18Å; V684-M689 HydrophobicContact CG1-SD 4.09Å; V684-D722 WeakPolarHBondContact O-CA 3.37Å; V684-D722 WeakPolarHBondContact O-CB 3.41Å; V684-W723 HydrophobicContact CB-CB 4.37Å; V684-W723 HydrophobicContact CB-CE3 4.12Å; V684-W723 HydrophobicContact CG1-CE3 4.48Å; V684-W723 HydrophobicContact CG2-CE3 3.99Å; V684-W723 HydrophobicContact CG2-CZ3 4.5Å; V684-W723 PolarHBondContact N-O 2.66Å; V684-W723 PolarHBondContact O-N 3.2Å; V684-I725 HydrophobicContact CB-CG2 4.5Å; V684-I725 HydrophobicContact CG2-CD1 3.96Å; V684-I725 HydrophobicContact CG2-CG1 4.34Å; V684-I725 HydrophobicContact CG2-CG2 3.58Å; V684-F795 HydrophobicContact CG2-CE2 4.3Å
685S95.6Very high94.5Very high44 Ų4429.1 Ų29.131%0.30815%0.151SC..  trans-67111.8169-179.50000110V473 D722V473-S685 PolarHBondContact O-N 2.77Å; S685-D722 WeakPolarHBondContact CA-OD1 3.37Å
686C95.3Very high94.7Very high0 Ų029.7 Ų29.70%016%0.155CC..  trans-99.5-16.9-169.3-77.60000114.1V684 E688 M689 G690 I720 D722V684-C686 PolarHBondContact O-N 2.84Å; V684-C686 PolarHBondContact O-SG 3.18Å; C686-E688 PolarHBondContact O-N 3.35Å; C686-M689 PolarHBondContact O-N 2.88Å; C686-G690 PolarHBondContact O-N 2.77Å; C686-I720 HydrophobicContact CB-CD1 3.83Å; C686-I720 HydrophobicContact CB-CG1 3.87Å; C686-I720 HydrophobicContact CB-CG2 3.94Å; C686-D722 PolarHBondContact N-OD1 3.28Å
687T94.2Very high94.9Very high95 Ų9529.7 Ų29.758%0.58316%0.155SC*.Hα-helixtrans-53.7-54.3-170.7-53.60000113.3K691T687-K691 PolarHBondContact O-N 3Å; T687-K691 VanDerWaalsContact O-N 3.11Å
688E96.1Very high95.2Very high104 Ų10435.2 Ų35.249%0.48618%0.176SC..Hα-helixtrans-71.1-38.9-178.3-179.255.8-152.500111.8C686 G690 K691 Q692C686-E688 PolarHBondContact O-N 3.35Å; E688-G690 PolarHBondContact O-N 3.39Å; E688-K691 PolarHBondContact O-N 3.34Å; E688-Q692 WeakPolarHBondContact O-CG 3.42Å; E688-Q692 PolarHBondContact O-N 3.43Å; E688-Q692 PolarHBondContact OE1-NE2 3.44Å
689M96.2Very high95.5Very high10 Ų1039.9 Ų39.95%0.04920%0.197CC..Hα-helixtrans-65-39.8178.2-64.2175.167.500111.7M468 V473 V684 C686 Q692 A693 M839 M840 K843M468-M689 HydrophobicContact CE-CE 3.86Å; M468-M689 HydrophobicContact CE-SD 3.75Å; V473-M689 HydrophobicContact CG1-SD 4.08Å; V684-M689 HydrophobicContact CG1-SD 4.09Å; C686-M689 PolarHBondContact O-N 2.88Å; M689-Q692 PolarHBondContact O-N 3.44Å; M689-A693 WeakPolarHBondContact O-CB 3.22Å; M689-A693 PolarHBondContact O-N 2.75Å; M689-M839 HydrophobicContact CB-CB 4.04Å; M689-M839 HydrophobicContact CB-CG 3.96Å; M689-M839 HydrophobicContact CB-SD 3.79Å; M689-M839 HydrophobicContact CE-CB 3.7Å; M689-M839 WeakPolarHBondContact CE-O 3.45Å; M689-M840 HydrophobicContact CE-CG 4.41Å; M689-K843 HydrophobicContact CE-CB 3.59Å; M689-K843 HydrophobicContact CE-CG 3.95Å; M689-K843 HydrophobicContact SD-CB 4.31Å; M689-K843 HydrophobicContact SD-CG 4.17Å
690G96.8Very high96Very high0 Ų040 Ų400%021%0.211CC..Hα-helixtrans-65.1-43.417600000111.9C686 E688 A693 A694C686-G690 PolarHBondContact O-N 2.77Å; E688-G690 PolarHBondContact O-N 3.39Å; G690-A693 PolarHBondContact O-N 2.95Å; G690-A694 PolarHBondContact O-N 2.99Å
691K97.6Very high96.3Very high110 Ų11044.2 Ų44.248%0.47823%0.225SC..Hα-helixtrans-57.3-50.6173.4-177.9-175.4172.9-167.50111.7T687 E688 A693 A694 D695T687-K691 PolarHBondContact O-N 3Å; T687-K691 VanDerWaalsContact O-N 3.11Å; E688-K691 PolarHBondContact O-N 3.34Å; K691-A693 VanDerWaalsContact C-N 3.31Å; K691-A693 PolarHBondContact O-N 3.02Å; K691-A694 WeakPolarHBondContact O-CB 3.39Å; K691-A694 PolarHBondContact O-N 3.44Å; K691-A694 VanDerWaalsContact O-N 3.1Å; K691-D695 VanDerWaalsContact O-CG 3.27Å; K691-D695 PolarHBondContact O-N 3.13Å
692Q97.7Very high96.6Very high69 Ų6944.3 Ų44.332%0.32223%0.226SC..Hα-helixtrans-60.1-41.2177.8-69.217611.200112.1E688 M689 A694 D695 V696 L842E688-Q692 WeakPolarHBondContact O-CG 3.42Å; E688-Q692 PolarHBondContact O-N 3.43Å; E688-Q692 PolarHBondContact OE1-NE2 3.44Å; M689-Q692 PolarHBondContact O-N 3.44Å; Q692-A694 VanDerWaalsContact C-N 3.32Å; Q692-A694 PolarHBondContact O-N 3.27Å; Q692-D695 PolarHBondContact O-N 2.92Å; Q692-V696 WeakPolarHBondContact O-CG1 3.16Å; Q692-V696 WeakPolarHBondContact O-CG2 3.31Å; Q692-V696 PolarHBondContact O-N 2.93Å; Q692-V696 VanDerWaalsContact O-N 3.08Å; Q692-L842 HydrophobicContact CB-CD1 4.25Å
693A97.6Very high96.8Very high0 Ų049.5 Ų49.50%025%0.248CC..Hα-helixtrans-65.5-31.917600000113.1M689 G690 K691 V696 W713 M717 V838 M839M689-A693 WeakPolarHBondContact O-CB 3.22Å; M689-A693 PolarHBondContact O-N 2.75Å; G690-A693 PolarHBondContact O-N 2.95Å; K691-A693 VanDerWaalsContact C-N 3.31Å; K691-A693 PolarHBondContact O-N 3.02Å; A693-V696 VanDerWaalsContact O-CG2 3.3Å; A693-V696 WeakPolarHBondContact O-CG2 3.28Å; A693-W713 HydrophobicContact CB-CZ2 4.2Å; A693-W713 PolarHBondContact O-NE1 3.11Å; A693-M717 HydrophobicContact CB-SD 4.17Å; A693-V838 HydrophobicContact CB-CB 4.46Å; A693-V838 HydrophobicContact CB-CG1 3.71Å; A693-M839 HydrophobicContact CB-CG 3.97Å
694A97.6Very high97Very high0 Ų049 Ų490%025%0.246CC..Hα-helixtrans-71.8-44.7171.900000111.4G690 K691 Q692 V697 R698 F714 M717G690-A694 PolarHBondContact O-N 2.99Å; K691-A694 WeakPolarHBondContact O-CB 3.39Å; K691-A694 PolarHBondContact O-N 3.44Å; K691-A694 VanDerWaalsContact O-N 3.1Å; Q692-A694 VanDerWaalsContact C-N 3.32Å; Q692-A694 PolarHBondContact O-N 3.27Å; A694-V697 PolarHBondContact O-N 2.89Å; A694-V697 VanDerWaalsContact O-N 3.16Å; A694-R698 VanDerWaalsContact CB-NH1 3.34Å; A694-R698 WeakPolarHBondContact O-CG 3.18Å; A694-R698 PolarHBondContact O-N 3.36Å; A694-F714 HydrophobicContact CB-CD1 4.26Å; A694-M717 HydrophobicContact CB-CB 3.84Å; A694-M717 HydrophobicContact CB-CG 4.37Å
695D98Very high97Very high46 Ų4650.6 Ų50.625%0.24626%0.255CS..Hα-helixtrans-65.4-42.2-174.9-69.1-16.5000112.2K691 Q692 V697 R698 E699K691-D695 VanDerWaalsContact O-CG 3.27Å; K691-D695 PolarHBondContact O-N 3.13Å; Q692-D695 PolarHBondContact O-N 2.92Å; D695-V697 PolarHBondContact O-N 3.46Å; D695-V697 VanDerWaalsContact O-N 3.16Å; D695-R698 PolarHBondContact O-N 2.89Å; D695-R698 VanDerWaalsContact O-N 3.09Å; D695-R698 IonicContact OD1-CZ 3.24Å; D695-R698 IonicContact OD1-NH1 2.68Å; D695-R698 PolarHBondContact OD1-NH1 3.05Å; D695-E699 WeakPolarHBondContact O-CB 3.37Å; D695-E699 VanDerWaalsContact O-CG 3.24Å; D695-E699 WeakPolarHBondContact O-CG 3.34Å; D695-E699 PolarHBondContact O-N 3.09Å
696V98.1Very high96.8Very high15 Ų1550.6 Ų50.69%0.09125%0.254CS..Hα-helixtrans-60.6-27.1175.5-64.60000113.6Q692 A693 K701 L702 V838 L842 L848Q692-V696 WeakPolarHBondContact O-CG1 3.16Å; Q692-V696 WeakPolarHBondContact O-CG2 3.31Å; Q692-V696 PolarHBondContact O-N 2.93Å; Q692-V696 VanDerWaalsContact O-N 3.08Å; A693-V696 VanDerWaalsContact O-CG2 3.3Å; A693-V696 WeakPolarHBondContact O-CG2 3.28Å; V696-K701 HydrophobicContact CB-CB 4.38Å; V696-K701 WeakPolarHBondContact O-CB 3.33Å; V696-K701 PolarHBondContact O-N 3.44Å; V696-L702 HydrophobicContact CG2-CB 4.27Å; V696-L702 PolarHBondContact O-N 3.14Å; V696-V838 HydrophobicContact CG2-CG1 4.21Å; V696-L842 HydrophobicContact CG1-CD1 4.05Å; V696-L842 HydrophobicContact CG1-CD2 4.35Å; V696-L842 HydrophobicContact CG2-CD1 4.31Å; V696-L848 HydrophobicContact CB-CD2 4.1Å; V696-L848 HydrophobicContact CG1-CD2 4.24Å; V696-L848 HydrophobicContact CG2-CD2 3.86Å
697V97.9Very high96.7Very high13 Ų1356.1 Ų56.18%0.07928%0.283CS..Hα-helixtrans-80.8-43.2173.8177.60000110.6A694 D695 E699 G700 L702 I704 L710 W713 F714A694-V697 PolarHBondContact O-N 2.89Å; A694-V697 VanDerWaalsContact O-N 3.16Å; D695-V697 PolarHBondContact O-N 3.46Å; D695-V697 VanDerWaalsContact O-N 3.16Å; V697-E699 PolarHBondContact O-N 3Å; V697-G700 PolarHBondContact O-N 3.12Å; V697-G700 VanDerWaalsContact O-N 3.07Å; V697-L702 HydrophobicContact CG2-CB 4.07Å; V697-L702 HydrophobicContact CG2-CD2 3.82Å; V697-L702 HydrophobicContact CG2-CG 4.09Å; V697-I704 HydrophobicContact CG1-CD1 4.29Å; V697-I704 HydrophobicContact CG2-CD1 3.98Å; V697-I704 HydrophobicContact CG2-CG1 4.4Å; V697-L710 HydrophobicContact CG1-CD2 3.51Å; V697-W713 HydrophobicContact CG2-CZ2 4.22Å; V697-F714 HydrophobicContact CB-CE1 4.15Å; V697-F714 HydrophobicContact CB-CZ 4.45Å; V697-F714 HydrophobicContact CG1-CE1 4.03Å; V697-F714 HydrophobicContact CG1-CZ 3.9Å
698R97.3Very high96.4Very high117 Ų11757.4 Ų57.444%0.44228%0.282SS..Hα-helixtrans-58.8-37.1174.8-68.6176.6-176.1123.23.2112.3A694 D695 G700 F714 D718A694-R698 VanDerWaalsContact CB-NH1 3.34Å; A694-R698 WeakPolarHBondContact O-CG 3.18Å; A694-R698 PolarHBondContact O-N 3.36Å; D695-R698 PolarHBondContact O-N 2.89Å; D695-R698 VanDerWaalsContact O-N 3.09Å; D695-R698 IonicContact OD1-CZ 3.24Å; D695-R698 IonicContact OD1-NH1 2.68Å; D695-R698 PolarHBondContact OD1-NH1 3.05Å; R698-G700 VanDerWaalsContact C-N 3.29Å; R698-G700 PolarHBondContact O-N 3.32Å; R698-F714 HydrophobicContact CG-CD1 4.34Å; R698-F714 HydrophobicContact CG-CE1 3.55Å; R698-F714 HydrophobicContact CG-CZ 3.77Å; R698-D718 IonicContact CZ-OD1 3.01Å; R698-D718 IonicContact NH1-OD1 2.99Å; R698-D718 IonicContact NH2-OD1 3.98Å; R698-D718 PolarHBondContact NH2-OD1 3.15Å; R698-D718 IonicContact NH2-OD2 4Å; R698-D718 PolarHBondContact NH2-OD2 3.35Å
699E97.3Very high96.3Very high116 Ų11653.1 Ų53.154%0.54226%0.262SS..THydrogen-bonded Turntrans-79.3-7178.5-68.2173.3-176.800113.6D695 V697 K701D695-E699 WeakPolarHBondContact O-CB 3.37Å; D695-E699 VanDerWaalsContact O-CG 3.24Å; D695-E699 WeakPolarHBondContact O-CG 3.34Å; D695-E699 PolarHBondContact O-N 3.09Å; V697-E699 PolarHBondContact O-N 3Å; E699-K701 VanDerWaalsContact C-N 3.28Å; E699-K701 HydrophobicContact CB-CG 4.32Å; E699-K701 PolarHBondContact O-N 3.02Å; E699-K701 WeakPolarHBondContact OE2-CD 3.26Å; E699-K701 WeakPolarHBondContact OE2-CE 3.45Å; E699-K701 IonicContact OE2-NZ 3.56Å; E699-K701 PolarHBondContact OE2-NZ 3.24Å
700G96.6Very high96.3Very high48 Ų4854.8 Ų54.850%0.49527%0.271SS..THydrogen-bonded Turntrans73.811.7-178.700000115.1V697 R698V697-G700 PolarHBondContact O-N 3.12Å; V697-G700 VanDerWaalsContact O-N 3.07Å; R698-G700 VanDerWaalsContact C-N 3.29Å; R698-G700 PolarHBondContact O-N 3.32Å
701K97.4Very high96.2Very high126 Ų12662 Ų6255%0.54830%0.303SS..SBendtrans-70.7-33.8174.6-67.2175.2177.2158.50112V696 E699 L848V696-K701 HydrophobicContact CB-CB 4.38Å; V696-K701 WeakPolarHBondContact O-CB 3.33Å; V696-K701 PolarHBondContact O-N 3.44Å; E699-K701 VanDerWaalsContact C-N 3.28Å; E699-K701 HydrophobicContact CB-CG 4.32Å; E699-K701 PolarHBondContact O-N 3.02Å; E699-K701 WeakPolarHBondContact OE2-CD 3.26Å; E699-K701 WeakPolarHBondContact OE2-CE 3.45Å; E699-K701 IonicContact OE2-NZ 3.56Å; E699-K701 PolarHBondContact OE2-NZ 3.24Å; K701-L848 HydrophobicContact CB-CD1 3.94Å; K701-L848 WeakPolarHBondContact O-CD1 3.33Å
702L98.3Very high96Very high1 Ų160.1 Ų60.11%0.00530%0.3CS..SBendtrans-116.3124.2171.5176.564.1000109.1V696 V697 V838 L848 F850 V853V696-L702 HydrophobicContact CG2-CB 4.27Å; V696-L702 PolarHBondContact O-N 3.14Å; V697-L702 HydrophobicContact CG2-CB 4.07Å; V697-L702 HydrophobicContact CG2-CD2 3.82Å; V697-L702 HydrophobicContact CG2-CG 4.09Å; L702-V838 HydrophobicContact CD2-CG1 4.15Å; L702-V838 HydrophobicContact CD2-CG2 3.55Å; L702-L848 HydrophobicContact CB-CD1 4.09Å; L702-L848 HydrophobicContact CB-CD2 4.26Å; L702-F850 HydrophobicContact CD1-CD2 3.71Å; L702-F850 HydrophobicContact CD1-CE2 3.91Å; L702-F850 WeakPolarHBondContact CD1-O 3.26Å; L702-V853 HydrophobicContact CD1-CG2 4.06Å
703K97.9Very high95.9Very high110 Ų11056.9 Ų56.948%0.47829%0.285SS..EExtended strand (participates in β ladder)trans-98.4133.7174.5-57.7-175.6-162.7153.30111.1K851 E852 V853K703-K851 PolarHBondContact N-O 3.23Å; K703-K851 VanDerWaalsContact N-O 3.1Å; K703-E852 HydrophobicContact CB-CG 4.22Å; K703-E852 HydrophobicContact CD-CG 4.36Å; K703-E852 IonicContact NZ-OE1 2.71Å; K703-E852 PolarHBondContact NZ-OE1 3.06Å; K703-E852 CarbonylContact O-C 3.47Å; K703-E852 WeakPolarHBondContact O-CA 3.46Å; K703-V853 PolarHBondContact O-N 2.88Å
704I97.6Very high95.9Very high2 Ų259.1 Ų59.11%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-112.5117.9172.6-60.1177.1000107.9V697 P706 H709 L710 W713 V853 L855V697-I704 HydrophobicContact CG1-CD1 4.29Å; V697-I704 HydrophobicContact CG2-CD1 3.98Å; V697-I704 HydrophobicContact CG2-CG1 4.4Å; I704-P706 CarbonylContact O-C 3.52Å; I704-H709 HydrophobicContact CG2-CB 4.02Å; I704-L710 HydrophobicContact CB-CD2 4.07Å; I704-W713 HydrophobicContact CD1-CB 4.19Å; I704-W713 HydrophobicContact CD1-CD2 3.46Å; I704-W713 VanDerWaalsContact CD1-CD2 3.46Å; I704-W713 HydrophobicContact CD1-CE3 3.66Å; I704-W713 HydrophobicContact CD1-CG 3.71Å; I704-W713 HydrophobicContact CD1-CH2 4.47Å; I704-W713 HydrophobicContact CD1-CZ2 4.35Å; I704-W713 HydrophobicContact CD1-CZ3 4.17Å; I704-V853 HydrophobicContact CG1-CB 4.49Å; I704-L855 HydrophobicContact CG2-CD1 3.85Å
705I95.2Very high95.6Very high37 Ų3763.6 Ų63.619%0.1932%0.319CS..EExtended strand (participates in β ladder)trans-116.4130.8-173.3-56.9170.8000108.3V853 Y854 L855 Y1009I705-V853 PolarHBondContact N-O 3.36Å; I705-Y854 HydrophobicContact CB-CD2 4.27Å; I705-Y854 HydrophobicContact CG2-CD2 3.91Å; I705-Y854 HydrophobicContact CG2-CE2 4.44Å; I705-L855 PolarHBondContact O-N 2.97Å; I705-Y1009 HydrophobicContact CD1-CD2 4.05Å; I705-Y1009 HydrophobicContact CD1-CE2 3.58Å; I705-Y1009 HydrophobicContact CG2-CD2 4.31Å
706P91.8Very high95.4Very high44 Ų4465 Ų6529%0.28632%0.321SS..SBendcis-77.8157.8-630.5-38.2000114.6I704 H708 H709I704-P706 CarbonylContact O-C 3.52Å; P706-H708 WeakPolarHBondContact CG-CE1 3.26Å; P706-H708 VanDerWaalsContact CG-ND1 3.32Å; P706-H708 WeakPolarHBondContact CG-ND1 3.13Å; P706-H708 PolarHBondContact O-N 2.89Å; P706-H709 PolarHBondContact O-CD2 2.98Å; P706-H709 PolarHBondContact O-N 3.31Å; P706-H709 VanDerWaalsContact O-N 3.16Å
707D92.9Very high95.2Very high116 Ų11664.5 Ų64.562%0.6232%0.317SS*.G310 helixtrans-60-19.8-173-67.2-1.1000115.3H709 L710D707-H709 PolarHBondContact O-N 3.18Å; D707-H709 VanDerWaalsContact O-N 3.12Å; D707-L710 HydrophobicContact CB-CD1 3.95Å; D707-L710 HydrophobicContact CB-CG 4.48Å; D707-L710 WeakPolarHBondContact O-CB 3.23Å; D707-L710 WeakPolarHBondContact O-CG 3.36Å; D707-L710 PolarHBondContact O-N 3.03Å
708H89.7Confident94.9Very high122 Ų12267.9 Ų67.957%0.56534%0.335SS*.G310 helixtrans-65-17.5178.374.7-100.9000112.9P706 L710P706-H708 WeakPolarHBondContact CG-CE1 3.26Å; P706-H708 VanDerWaalsContact CG-ND1 3.32Å; P706-H708 WeakPolarHBondContact CG-ND1 3.13Å; P706-H708 PolarHBondContact O-N 2.89Å; H708-L710 VanDerWaalsContact C-N 3.31Å
709H93.6Very high94.5Very high13 Ų1368.2 Ų68.26%0.0635%0.346CS..G310 helixtrans-73.9-18.4172.7-70.2-61.5000113.6I704 P706 D707 K711 T712 W713 L830 L855I704-H709 HydrophobicContact CG2-CB 4.02Å; P706-H709 PolarHBondContact O-CD2 2.98Å; P706-H709 PolarHBondContact O-N 3.31Å; P706-H709 VanDerWaalsContact O-N 3.16Å; D707-H709 PolarHBondContact O-N 3.18Å; D707-H709 VanDerWaalsContact O-N 3.12Å; H709-K711 VanDerWaalsContact C-N 3.34Å; H709-K711 PolarHBondContact O-N 2.89Å; H709-T712 PolarHBondContact O-N 3.07Å; H709-W713 PolarHBondContact O-N 3.45Å; H709-L830 HydrophobicContact CB-CD2 4.31Å; H709-L855 HydrophobicContact CB-CD1 4.07Å
710L95.6Very high94.2Very high45 Ų4563.7 Ų63.724%0.23633%0.325CS..Hα-helixtrans-58.4-42-176-65.4175.4000112.7V697 I704 D707 H708 T712 W713 F714V697-L710 HydrophobicContact CG1-CD2 3.51Å; I704-L710 HydrophobicContact CB-CD2 4.07Å; D707-L710 HydrophobicContact CB-CD1 3.95Å; D707-L710 HydrophobicContact CB-CG 4.48Å; D707-L710 WeakPolarHBondContact O-CB 3.23Å; D707-L710 WeakPolarHBondContact O-CG 3.36Å; D707-L710 PolarHBondContact O-N 3.03Å; H708-L710 VanDerWaalsContact C-N 3.31Å; L710-T712 VanDerWaalsContact C-N 3.29Å; L710-T712 PolarHBondContact O-N 3.45Å; L710-W713 WeakPolarHBondContact O-CB 3.49Å; L710-W713 PolarHBondContact O-N 2.89Å; L710-F714 HydrophobicContact CB-CD2 4.43Å; L710-F714 HydrophobicContact CB-CE2 3.94Å; L710-F714 WeakPolarHBondContact O-CD2 3.36Å; L710-F714 WeakPolarHBondContact O-CG 3.38Å; L710-F714 PolarHBondContact O-N 3.21Å
711K94.9Very high93.8Very high153 Ų15370.4 Ų70.467%0.66534%0.336SS*.Hα-helixtrans-59.5-42.4176.6-177.1178.4179.5179.80111.9H709 N715H709-K711 VanDerWaalsContact C-N 3.34Å; H709-K711 PolarHBondContact O-N 2.89Å; K711-N715 WeakPolarHBondContact O-CB 3.35Å; K711-N715 PolarHBondContact O-N 3.44Å; K711-N715 VanDerWaalsContact O-N 3.09Å; K711-N715 PolarHBondContact O-OD1 3.13Å
712T92.4Very high93.5Very high70 Ų7066.3 Ų66.343%0.42932%0.32SS..Hα-helixtrans-69.9-38.9179.2-45.10000110.2H709 L710 W716 F831H709-T712 PolarHBondContact O-N 3.07Å; L710-T712 VanDerWaalsContact C-N 3.29Å; L710-T712 PolarHBondContact O-N 3.45Å; T712-W716 WeakPolarHBondContact O-CB 3.45Å; T712-W716 PolarHBondContact O-N 3.26Å; T712-W716 VanDerWaalsContact O-N 3.14Å; T712-F831 HydrophobicContact CG2-CE2 3.6Å; T712-F831 HydrophobicContact CG2-CZ 3.55Å; T712-F831 WeakPolarHBondContact O-CZ 3.45Å
713W96.1Very high93.2Very high0 Ų067.2 Ų67.20%032%0.323CS..Hα-helixtrans-57.4-55.4175.1-179.8-95.7000112A693 V697 I704 H709 L710 N715 W716 M717 L830 F831 V834 A835 V838A693-W713 HydrophobicContact CB-CZ2 4.2Å; A693-W713 PolarHBondContact O-NE1 3.11Å; V697-W713 HydrophobicContact CG2-CZ2 4.22Å; I704-W713 HydrophobicContact CD1-CB 4.19Å; I704-W713 HydrophobicContact CD1-CD2 3.46Å; I704-W713 VanDerWaalsContact CD1-CD2 3.46Å; I704-W713 HydrophobicContact CD1-CE3 3.66Å; I704-W713 HydrophobicContact CD1-CG 3.71Å; I704-W713 HydrophobicContact CD1-CH2 4.47Å; I704-W713 HydrophobicContact CD1-CZ2 4.35Å; I704-W713 HydrophobicContact CD1-CZ3 4.17Å; H709-W713 PolarHBondContact O-N 3.45Å; L710-W713 WeakPolarHBondContact O-CB 3.49Å; L710-W713 PolarHBondContact O-N 2.89Å; W713-N715 PolarHBondContact O-N 3.11Å; W713-W716 PolarHBondContact O-N 2.94Å; W713-M717 HydrophobicContact CD2-CE 3.99Å; W713-M717 HydrophobicContact CD2-CG 4.16Å; W713-M717 HydrophobicContact CE3-CE 3.84Å; W713-M717 HydrophobicContact CG-CG 4.37Å; W713-M717 HydrophobicContact CH2-CE 4.05Å; W713-M717 HydrophobicContact CZ2-CE 4.15Å; W713-M717 HydrophobicContact CZ2-CG 4.22Å; W713-M717 HydrophobicContact CZ2-SD 4.32Å; W713-M717 HydrophobicContact CZ3-CE 3.87Å; W713-M717 WeakPolarHBondContact O-CG 3.47Å; W713-M717 PolarHBondContact O-N 2.95Å; W713-L830 HydrophobicContact CE3-CD1 3.73Å; W713-L830 HydrophobicContact CE3-CG 4.11Å; W713-L830 HydrophobicContact CZ3-CD1 3.75Å; W713-L830 HydrophobicContact CZ3-CG 4.39Å; W713-F831 HydrophobicContact CE3-CE1 4.27Å; W713-V834 HydrophobicContact CZ3-CG1 4.36Å; W713-A835 HydrophobicContact CH2-CB 4.08Å; W713-A835 HydrophobicContact CZ3-CB 3.93Å; W713-V838 HydrophobicContact CH2-CB 4.37Å; W713-V838 HydrophobicContact CH2-CG2 4.15Å
714F97.1Very high92.8Very high47 Ų4763.1 Ų63.121%0.20631%0.308CS..Hα-helixtrans-63.3-45-178.8-61-46.8000112.2A694 V697 R698 L710 W716 M717 D718A694-F714 HydrophobicContact CB-CD1 4.26Å; V697-F714 HydrophobicContact CB-CE1 4.15Å; V697-F714 HydrophobicContact CB-CZ 4.45Å; V697-F714 HydrophobicContact CG1-CE1 4.03Å; V697-F714 HydrophobicContact CG1-CZ 3.9Å; R698-F714 HydrophobicContact CG-CD1 4.34Å; R698-F714 HydrophobicContact CG-CE1 3.55Å; R698-F714 HydrophobicContact CG-CZ 3.77Å; L710-F714 HydrophobicContact CB-CD2 4.43Å; L710-F714 HydrophobicContact CB-CE2 3.94Å; L710-F714 WeakPolarHBondContact O-CD2 3.36Å; L710-F714 WeakPolarHBondContact O-CG 3.38Å; L710-F714 PolarHBondContact O-N 3.21Å; F714-W716 PolarHBondContact O-N 3.4Å; F714-W716 VanDerWaalsContact O-N 3.14Å; F714-M717 PolarHBondContact O-N 3.23Å; F714-D718 VanDerWaalsContact O-CB 3.25Å; F714-D718 WeakPolarHBondContact O-CB 3.35Å; F714-D718 PolarHBondContact O-N 3.47Å
715N93.2Very high92.6Very high94 Ų9463 Ų6350%0.50331%0.307SS..Hα-helixtrans-54.9-36.8175.9-77.9-1.6000112.6K711 W713 N719K711-N715 WeakPolarHBondContact O-CB 3.35Å; K711-N715 PolarHBondContact O-N 3.44Å; K711-N715 VanDerWaalsContact O-N 3.09Å; K711-N715 PolarHBondContact O-OD1 3.13Å; W713-N715 PolarHBondContact O-N 3.11Å; N715-N719 WeakPolarHBondContact O-CB 3.42Å; N715-N719 PolarHBondContact O-ND2 2.94Å
716W92.4Very high92.5Very high77 Ų7761.2 Ų61.229%0.29230%0.298SS..Hα-helixtrans-81.7-43.2-179.4-160.995000112.7T712 W713 F714 N719 I720 F831 A835T712-W716 WeakPolarHBondContact O-CB 3.45Å; T712-W716 PolarHBondContact O-N 3.26Å; T712-W716 VanDerWaalsContact O-N 3.14Å; W713-W716 PolarHBondContact O-N 2.94Å; F714-W716 PolarHBondContact O-N 3.4Å; F714-W716 VanDerWaalsContact O-N 3.14Å; W716-N719 CarbonylContact O-C 3.51Å; W716-N719 PolarHBondContact O-N 3.09Å; W716-I720 HydrophobicContact CE3-CD1 3.85Å; W716-I720 HydrophobicContact CE3-CG1 4.08Å; W716-I720 HydrophobicContact CH2-CD1 4.02Å; W716-I720 HydrophobicContact CH2-CG1 4.37Å; W716-I720 HydrophobicContact CZ3-CD1 3.31Å; W716-I720 HydrophobicContact CZ3-CG1 3.86Å; W716-I720 WeakPolarHBondContact O-CA 3.31Å; W716-I720 PolarHBondContact O-N 3.35Å; W716-I720 VanDerWaalsContact O-N 3.08Å; W716-F831 HydrophobicContact CB-CD1 3.72Å; W716-F831 HydrophobicContact CB-CE1 3.35Å; W716-F831 HydrophobicContact CB-CZ 3.89Å; W716-F831 AromaticContact CD1-CD1 3.96Å; W716-F831 AromaticContact CD1-CG 3.98Å; W716-F831 HydrophobicContact CD2-CB 4.25Å; W716-F831 AromaticContact CD2-CD1 3.47Å; W716-F831 HydrophobicContact CD2-CD1 3.47Å; W716-F831 VanDerWaalsContact CD2-CD1 3.47Å; W716-F831 HydrophobicContact CD2-CE1 4.1Å; W716-F831 AromaticContact CD2-CG 3.98Å; W716-F831 HydrophobicContact CD2-CG 3.98Å; W716-F831 AromaticContact CE2-CD1 3.92Å; W716-F831 AromaticContact CE2-CG 3.94Å; W716-F831 AromaticContact CE3-CD1 3.85Å; W716-F831 HydrophobicContact CE3-CD1 3.85Å; W716-F831 AromaticContact CG-CD1 3.45Å; W716-F831 HydrophobicContact CG-CD1 3.45Å; W716-F831 VanDerWaalsContact CG-CD1 3.45Å; W716-F831 AromaticContact CG-CE1 3.65Å; W716-F831 HydrophobicContact CG-CE1 3.65Å; W716-F831 AromaticContact CG-CG 3.95Å; W716-F831 HydrophobicContact CG-CG 3.95Å; W716-F831 HydrophobicContact CG-CZ 4.28Å; W716-F831 HydrophobicContact CH2-CB 4.12Å; W716-F831 HydrophobicContact CZ2-CB 3.77Å; W716-F831 HydrophobicContact CZ2-CD1 4.49Å; W716-F831 HydrophobicContact CZ2-CG 4.39Å; W716-F831 HydrophobicContact CZ3-CD1 4.35Å; W716-A835 HydrophobicContact CH2-CB 4.41Å; W716-A835 HydrophobicContact CZ3-CB 3.98Å
717M94.6Very high92.4Very high3 Ų359.7 Ų59.72%0.01529%0.287CS..Hα-helixtrans-66.8-40.8179.5-67.1-47.5127.100112.3A693 A694 W713 F714 N719 I720 F831 A835A693-M717 HydrophobicContact CB-SD 4.17Å; A694-M717 HydrophobicContact CB-CB 3.84Å; A694-M717 HydrophobicContact CB-CG 4.37Å; W713-M717 HydrophobicContact CD2-CE 3.99Å; W713-M717 HydrophobicContact CD2-CG 4.16Å; W713-M717 HydrophobicContact CE3-CE 3.84Å; W713-M717 HydrophobicContact CG-CG 4.37Å; W713-M717 HydrophobicContact CH2-CE 4.05Å; W713-M717 HydrophobicContact CZ2-CE 4.15Å; W713-M717 HydrophobicContact CZ2-CG 4.22Å; W713-M717 HydrophobicContact CZ2-SD 4.32Å; W713-M717 HydrophobicContact CZ3-CE 3.87Å; W713-M717 WeakPolarHBondContact O-CG 3.47Å; W713-M717 PolarHBondContact O-N 2.95Å; F714-M717 PolarHBondContact O-N 3.23Å; M717-N719 VanDerWaalsContact C-N 3.26Å; M717-N719 PolarHBondContact O-N 2.89Å; M717-I720 WeakPolarHBondContact O-CG2 3.25Å; M717-I720 PolarHBondContact O-N 3.25Å; M717-F831 HydrophobicContact CE-CD1 3.88Å; M717-F831 HydrophobicContact CE-CE1 4.05Å; M717-A835 HydrophobicContact CE-CB 3.39Å; M717-A835 HydrophobicContact SD-CB 4.36Å
718D91.9Very high92.3Very high85 Ų8555.8 Ų55.846%0.45527%0.265SS..THydrogen-bonded Turntrans-71.8-21.4-177.9-65-27.3000112.5R698 F714R698-D718 IonicContact CZ-OD1 3.01Å; R698-D718 IonicContact NH1-OD1 2.99Å; R698-D718 IonicContact NH2-OD1 3.98Å; R698-D718 PolarHBondContact NH2-OD1 3.15Å; R698-D718 IonicContact NH2-OD2 4Å; R698-D718 PolarHBondContact NH2-OD2 3.35Å; F714-D718 VanDerWaalsContact O-CB 3.25Å; F714-D718 WeakPolarHBondContact O-CB 3.35Å; F714-D718 PolarHBondContact O-N 3.47Å
719N88.7Confident92.3Very high123 Ų12350.3 Ų50.366%0.65824%0.24SC*.THydrogen-bonded Turntrans-117.422.7-179.7-58.5-73.7000112.5N715 W716 M717N715-N719 WeakPolarHBondContact O-CB 3.42Å; N715-N719 PolarHBondContact O-ND2 2.94Å; W716-N719 CarbonylContact O-C 3.51Å; W716-N719 PolarHBondContact O-N 3.09Å; M717-N719 VanDerWaalsContact C-N 3.26Å; M717-N719 PolarHBondContact O-N 2.89Å
720I90.4Very high92.2Very high22 Ų2251.9 Ų51.911%0.11325%0.245CC..PPolyproline II helixtrans-64.6137.5-176.3-162.4168.7000110.6C686 W716 M717 M839C686-I720 HydrophobicContact CB-CD1 3.83Å; C686-I720 HydrophobicContact CB-CG1 3.87Å; C686-I720 HydrophobicContact CB-CG2 3.94Å; W716-I720 HydrophobicContact CE3-CD1 3.85Å; W716-I720 HydrophobicContact CE3-CG1 4.08Å; W716-I720 HydrophobicContact CH2-CD1 4.02Å; W716-I720 HydrophobicContact CH2-CG1 4.37Å; W716-I720 HydrophobicContact CZ3-CD1 3.31Å; W716-I720 HydrophobicContact CZ3-CG1 3.86Å; W716-I720 WeakPolarHBondContact O-CA 3.31Å; W716-I720 PolarHBondContact O-N 3.35Å; W716-I720 VanDerWaalsContact O-N 3.08Å; M717-I720 WeakPolarHBondContact O-CG2 3.25Å; M717-I720 PolarHBondContact O-N 3.25Å; I720-M839 HydrophobicContact CD1-CE 3.97Å; I720-M839 HydrophobicContact CD1-SD 3.66Å
721R88.8Confident92.1Very high189 Ų18949.8 Ų49.871%0.71323%0.234SC*.PPolyproline II helixtrans-100.7158.5172.6-65.7-177.3177.3-170.2-6.8110.4W723R721-W723 PolarHBondContact O-N 2.94Å
722D90.8Very high92.1Very high40 Ų4043 Ų4321%0.21421%0.207CC..PPolyproline II helixtrans-58.9134.5175.7-70.5-9.4000111.6Y475 R479 Y683 V684 S685 C686Y475-D722 PolarHBondContact OH-OD2 3.33Å; R479-D722 IonicContact NH1-OD2 3.5Å; Y683-D722 HydrophobicContact CD1-CB 4.42Å; V684-D722 WeakPolarHBondContact O-CA 3.37Å; V684-D722 WeakPolarHBondContact O-CB 3.41Å; S685-D722 WeakPolarHBondContact CA-OD1 3.37Å; C686-D722 PolarHBondContact N-OD1 3.28Å
723W91Very high92.3Very high19 Ų1940.3 Ų40.37%0.07219%0.19CC..EExtended strand (participates in β ladder)trans-92.9115.6-169.8167.929.4000110.6Y683 V684 R721 I725 D792 W794 F795 R836 M840Y683-W723 CarbonylContact C-O 3.57Å; Y683-W723 VanDerWaalsContact CA-O 3.26Å; Y683-W723 WeakPolarHBondContact CA-O 3.44Å; V684-W723 HydrophobicContact CB-CB 4.37Å; V684-W723 HydrophobicContact CB-CE3 4.12Å; V684-W723 HydrophobicContact CG1-CE3 4.48Å; V684-W723 HydrophobicContact CG2-CE3 3.99Å; V684-W723 HydrophobicContact CG2-CZ3 4.5Å; V684-W723 PolarHBondContact N-O 2.66Å; V684-W723 PolarHBondContact O-N 3.2Å; R721-W723 PolarHBondContact O-N 2.94Å; W723-I725 HydrophobicContact CD2-CG2 3.48Å; W723-I725 VanDerWaalsContact CD2-CG2 3.48Å; W723-I725 HydrophobicContact CE3-CG2 3.8Å; W723-I725 HydrophobicContact CG-CG2 3.94Å; W723-I725 HydrophobicContact CH2-CG2 4.3Å; W723-I725 HydrophobicContact CZ2-CG2 3.94Å; W723-I725 HydrophobicContact CZ3-CG2 4.2Å; W723-I725 PolarHBondContact O-N 3.17Å; W723-D792 HydrophobicContact CZ2-CB 4.36Å; W723-D792 PolarHBondContact NE1-OD2 3.49Å; W723-W794 HydrophobicContact CH2-CB 4.44Å; W723-W794 HydrophobicContact CZ2-CB 3.82Å; W723-F795 VanDerWaalsContact CH2-CA 3.47Å; W723-F795 HydrophobicContact CH2-CB 3.89Å; W723-F795 AromaticContact CH2-CD2 3.94Å; W723-F795 HydrophobicContact CH2-CD2 3.94Å; W723-F795 HydrophobicContact CH2-CG 4.37Å; W723-F795 HydrophobicContact CZ2-CB 4.07Å; W723-F795 HydrophobicContact CZ3-CD2 4.04Å; W723-R836 HydrophobicContact CH2-CG 4.33Å; W723-M840 HydrophobicContact CH2-SD 4.44Å; W723-M840 HydrophobicContact CZ3-SD 4.26Å
724C91.1Very high92.3Very high24 Ų2445.4 Ų45.416%0.16221%0.209CC..EExtended strand (participates in β ladder)trans-67.5113.3171.3-171.20000110.4W682 Y683 R727W682-C724 CarbonylContact O-C 3.53Å; W682-C724 WeakPolarHBondContact O-CA 3.19Å; Y683-C724 HydrophobicContact CD1-CB 3.97Å; Y683-C724 HydrophobicContact CE1-CB 3.59Å; C724-R727 PolarHBondContact O-NH1 3.04Å; C724-R727 PolarHBondContact O-NH2 2.65Å
725I92.5Very high92.3Very high0 Ų043.2 Ų43.20%020%0.199CC..  trans-104.5-10.7-175.155.8162.7000114.3F465 I474 W682 V684 W723 L791 D792 F795F465-I725 HydrophobicContact CD2-CD1 4.09Å; F465-I725 HydrophobicContact CE2-CD1 3.83Å; I474-I725 HydrophobicContact CD1-CD1 3.81Å; I474-I725 HydrophobicContact CG1-CD1 4.05Å; I474-I725 HydrophobicContact CG2-CD1 4.09Å; W682-I725 HydrophobicContact CB-CD1 4.19Å; W682-I725 HydrophobicContact CB-CG1 3.76Å; W682-I725 WeakPolarHBondContact O-CG1 3.22Å; W682-I725 PolarHBondContact O-N 2.95Å; V684-I725 HydrophobicContact CB-CG2 4.5Å; V684-I725 HydrophobicContact CG2-CD1 3.96Å; V684-I725 HydrophobicContact CG2-CG1 4.34Å; V684-I725 HydrophobicContact CG2-CG2 3.58Å; W723-I725 HydrophobicContact CD2-CG2 3.48Å; W723-I725 VanDerWaalsContact CD2-CG2 3.48Å; W723-I725 HydrophobicContact CE3-CG2 3.8Å; W723-I725 HydrophobicContact CG-CG2 3.94Å; W723-I725 HydrophobicContact CH2-CG2 4.3Å; W723-I725 HydrophobicContact CZ2-CG2 3.94Å; W723-I725 HydrophobicContact CZ3-CG2 4.2Å; W723-I725 PolarHBondContact O-N 3.17Å; I725-L791 HydrophobicContact CB-CD2 4.39Å; I725-L791 HydrophobicContact CD1-CD2 3.97Å; I725-L791 HydrophobicContact CG1-CD2 4.43Å; I725-L791 CarbonylContact O-C 3.57Å; I725-L791 VanDerWaalsContact O-CA 3.31Å; I725-L791 WeakPolarHBondContact O-CA 3.48Å; I725-D792 PolarHBondContact O-N 2.8Å; I725-F795 HydrophobicContact CB-CD2 4.44Å; I725-F795 HydrophobicContact CD1-CD2 4.38Å; I725-F795 HydrophobicContact CD1-CE2 4.24Å; I725-F795 HydrophobicContact CG2-CD2 3.91Å
726S92.6Very high92.4Very high0 Ų038.9 Ų38.90%018%0.177CC..EExtended strand (participates in β ladder)trans-90.1148.1175.749.90000112.9Q681 W682 D789 V790Q681-S726 WeakPolarHBondContact CA-OG 3.45Å; Q681-S726 WeakPolarHBondContact CB-OG 3.47Å; Q681-S726 PolarHBondContact OE1-OG 3.08Å; W682-S726 PolarHBondContact N-OG 2.95Å; S726-D789 WeakPolarHBondContact CB-OD2 3.28Å; S726-V790 CarbonylContact C-O 3.56Å
727R90Very high92.7Very high11 Ų1135.2 Ų35.24%0.04216%0.163CC..EExtended strand (participates in β ladder)trans-142.6138.8179.7-61.2-67.7-177.7-81.6-6.5110A490 C724 L729 D789 V790 D792A490-R727 WeakPolarHBondContact O-CD 3.43Å; C724-R727 PolarHBondContact O-NH1 3.04Å; C724-R727 PolarHBondContact O-NH2 2.65Å; R727-L729 HydrophobicContact CB-CB 4.5Å; R727-L729 HydrophobicContact CB-CD1 3.93Å; R727-L729 HydrophobicContact CB-CG 3.96Å; R727-L729 HydrophobicContact CG-CD1 4.41Å; R727-L729 PolarHBondContact O-N 2.96Å; R727-D789 WeakPolarHBondContact O-CA 3.46Å; R727-V790 HydrophobicContact CB-CG2 4.12Å; R727-V790 PolarHBondContact N-O 2.93Å; R727-V790 PolarHBondContact O-N 3.33Å; R727-D792 IonicContact CZ-OD1 2.79Å; R727-D792 IonicContact CZ-OD2 3.59Å; R727-D792 IonicContact NH2-OD1 2.69Å; R727-D792 PolarHBondContact NH2-OD1 3.37Å; R727-D792 IonicContact NH2-OD2 3Å; R727-D792 PolarHBondContact NH2-OD2 2.89Å
728Q90.8Very high92.8Very high35 Ų3536 Ų3616%0.16417%0.165CC..  trans-85.243.8179.9-66.36358.600111.5W483 N488 S489 A490 Q681 D789W483-Q728 HydrophobicContact CH2-CB 4.46Å; W483-Q728 HydrophobicContact CH2-CG 4.12Å; W483-Q728 HydrophobicContact CZ3-CG 4.21Å; N488-Q728 WeakPolarHBondContact O-CB 3.48Å; S489-Q728 PolarHBondContact OG-N 3.12Å; A490-Q728 VanDerWaalsContact N-OE1 3.08Å; Q681-Q728 VanDerWaalsContact NE2-NE2 3.15Å; Q681-Q728 VanDerWaalsContact NE2-OE1 3.1Å; Q728-D789 WeakPolarHBondContact CG-OD1 3.36Å; Q728-D789 PolarHBondContact NE2-OD1 3.1Å; Q728-D789 PolarHBondContact NE2-OD2 2.67Å
729L89.9Confident93Very high7 Ų732.9 Ų32.94%0.03715%0.148CC..  trans-101.4161.4-178.7-57.1173.4000110.2I392 R727 V790I392-L729 HydrophobicContact CB-CD1 3.67Å; I392-L729 HydrophobicContact CD1-CD1 3.89Å; I392-L729 HydrophobicContact CD1-CD2 3.38Å; I392-L729 HydrophobicContact CD1-CG 4.25Å; I392-L729 HydrophobicContact CG1-CD1 4.39Å; R727-L729 HydrophobicContact CB-CB 4.5Å; R727-L729 HydrophobicContact CB-CD1 3.93Å; R727-L729 HydrophobicContact CB-CG 3.96Å; R727-L729 HydrophobicContact CG-CD1 4.41Å; R727-L729 PolarHBondContact O-N 2.96Å; L729-V790 HydrophobicContact CB-CG2 3.66Å; L729-V790 WeakPolarHBondContact O-CG1 3.43Å
730W91.8Very high93.4Very high45 Ų4527 Ų2717%0.1712%0.117CC..SBendtrans-97.7-23.9175.3-66.1-6.6000111.8R410 H411 R415 F418R410-W730 HydrophobicContact CB-CE3 3.99Å; R410-W730 HydrophobicContact CB-CH2 4.32Å; R410-W730 HydrophobicContact CB-CZ3 3.65Å; R410-W730 HydrophobicContact CG-CE3 4.29Å; R410-W730 HydrophobicContact CG-CH2 4.24Å; R410-W730 HydrophobicContact CG-CZ3 3.99Å; R410-W730 WeakPolarHBondContact O-CH2 3.45Å; R410-W730 WeakPolarHBondContact O-CZ3 3.44Å; H411-W730 AromaticContact ND1-CH2 3.91Å; H411-W730 AromaticContact ND1-CZ2 3.81Å; R415-W730 HydrophobicContact CB-CD2 4.09Å; R415-W730 HydrophobicContact CB-CE3 4.11Å; R415-W730 HydrophobicContact CB-CH2 4.5Å; R415-W730 HydrophobicContact CB-CZ3 4.29Å; R415-W730 HydrophobicContact CG-CB 4.18Å; R415-W730 HydrophobicContact CG-CD2 3.98Å; R415-W730 HydrophobicContact CG-CE3 4.29Å; R415-W730 HydrophobicContact CG-CG 3.94Å; F418-W730 HydrophobicContact CB-CE3 3.83Å; F418-W730 HydrophobicContact CB-CZ3 3.93Å; F418-W730 HydrophobicContact CD1-CB 4.2Å; F418-W730 AromaticContact CD1-CE3 3.72Å; F418-W730 HydrophobicContact CD1-CE3 3.72Å; F418-W730 AromaticContact CG-CE3 3.9Å; F418-W730 HydrophobicContact CG-CE3 3.9Å; F418-W730 HydrophobicContact CG-CZ3 4.28Å
731W94.1Very high93.6Very high2 Ų229.1 Ų29.11%0.00813%0.131CC..SBendtrans-99.1118.2175.9-173.6-114.7000111.8H389 Q395 I419 V422 W423 F451 M453H389-W731 HydrophobicContact CB-CZ2 4.3Å; H389-W731 PolarHBondContact O-NE1 3.26Å; H389-W731 VanDerWaalsContact O-NE1 3.08Å; Q395-W731 HydrophobicContact CB-CB 4.28Å; I419-W731 HydrophobicContact CG2-CE3 4.48Å; I419-W731 HydrophobicContact CG2-CZ3 4.22Å; V422-W731 HydrophobicContact CB-CD2 4.15Å; V422-W731 HydrophobicContact CB-CE3 3.87Å; V422-W731 HydrophobicContact CB-CZ3 4.12Å; V422-W731 HydrophobicContact CG1-CD2 3.32Å; V422-W731 VanDerWaalsContact CG1-CE2 3.47Å; V422-W731 HydrophobicContact CG1-CE3 3.53Å; V422-W731 HydrophobicContact CG1-CG 3.78Å; V422-W731 HydrophobicContact CG1-CH2 4Å; V422-W731 HydrophobicContact CG1-CZ2 3.81Å; V422-W731 HydrophobicContact CG1-CZ3 3.86Å; W423-W731 AromaticContact CD1-CZ3 3.7Å; W423-W731 AromaticContact CD2-CH2 3.72Å; W423-W731 HydrophobicContact CD2-CH2 3.72Å; W423-W731 HydrophobicContact CD2-CZ3 4.2Å; W423-W731 AromaticContact CE2-CH2 3.54Å; W423-W731 AromaticContact CE2-CZ3 3.82Å; W423-W731 HydrophobicContact CE3-CH2 4.25Å; W423-W731 HydrophobicContact CG-CH2 4.03Å; W423-W731 HydrophobicContact CG-CZ3 4.13Å; W423-W731 HydrophobicContact CH2-CH2 4.44Å; W423-W731 AromaticContact CZ2-CH2 3.93Å; W423-W731 HydrophobicContact CZ2-CH2 3.93Å; W423-W731 HydrophobicContact CZ2-CZ3 4.43Å; W423-W731 AromaticContact NE1-CH2 3.74Å; W423-W731 AromaticContact NE1-CZ3 3.5Å; F451-W731 HydrophobicContact CE1-CZ2 4.36Å; F451-W731 HydrophobicContact CZ-CZ2 4.03Å; M453-W731 HydrophobicContact CE-CH2 4.4Å; M453-W731 HydrophobicContact CE-CZ3 4.37Å; M453-W731 HydrophobicContact SD-CD2 4.25Å; M453-W731 HydrophobicContact SD-CH2 4.03Å; M453-W731 HydrophobicContact SD-CZ2 3.68Å; M453-W731 HydrophobicContact SD-CZ3 4.45Å
732G94.4Very high93.8Very high10 Ų1021.1 Ų21.110%0.10310%0.103CC..SBendtrans150.3-178.9-178.700000111.6M453 R734M453-G732 WeakPolarHBondContact CE-O 3.08Å; G732-R734 PolarHBondContact O-N 3.36Å
733H96.3Very high93.8Very high13 Ų1323.7 Ų23.76%0.0612%0.117CC..PPolyproline II helixtrans-76.8116.1175.3-59.6-91.5000109.5T452 S458 V461 I735 V790 L791 S796T452-H733 PolarHBondContact O-CE1 3.31Å; T452-H733 PolarHBondContact O-NE2 3.32Å; S458-H733 PolarHBondContact OG-CE1 3.46Å; S458-H733 PolarHBondContact OG-ND1 2.9Å; V461-H733 HydrophobicContact CG1-CB 3.95Å; H733-I735 PolarHBondContact O-N 3.3Å; H733-V790 CarbonylContact O-C 3.56Å; H733-V790 WeakPolarHBondContact O-CA 3.38Å; H733-V790 WeakPolarHBondContact O-CB 3.46Å; H733-L791 HydrophobicContact CB-CB 4.36Å; H733-L791 HydrophobicContact CB-CD1 4.16Å; H733-L791 PolarHBondContact O-N 3.3Å; H733-S796 VanDerWaalsContact NE2-CB 3.31Å; H733-S796 WeakPolarHBondContact NE2-CB 3.46Å; H733-S796 PolarHBondContact NE2-OG 3.18Å
734R95Very high93.7Very high108 Ų10824.5 Ų24.541%0.40812%0.122SC..BIsolated β-bridgetrans-61.3134.5176.1-168.2177.5-178-177.55.9109.9G732 D787G732-R734 PolarHBondContact O-N 3.36Å; R734-D787 PolarHBondContact NE-O 3.32Å; R734-D787 PolarHBondContact NH2-O 3.04Å
735I97Very high93.4Very high0 Ų030 Ų300%016%0.157CC..PPolyproline II helixtrans-62.6126.7-178.7-65-179.6000109.2F465 W682 H733 A737 Q786 D787 D789 L791F465-I735 HydrophobicContact CD2-CG2 4.44Å; F465-I735 HydrophobicContact CE1-CG2 4.03Å; F465-I735 HydrophobicContact CE2-CG2 3.68Å; F465-I735 HydrophobicContact CZ-CG2 3.44Å; F465-I735 VanDerWaalsContact CZ-CG2 3.44Å; W682-I735 VanDerWaalsContact CD1-CD1 3.45Å; W682-I735 HydrophobicContact CG-CD1 4.14Å; H733-I735 PolarHBondContact O-N 3.3Å; I735-A737 HydrophobicContact CG2-CB 3.68Å; I735-A737 PolarHBondContact O-N 3.21Å; I735-Q786 PolarHBondContact O-NE2 3.01Å; I735-D787 HydrophobicContact CB-CB 4.3Å; I735-D787 HydrophobicContact CG2-CB 4.46Å; I735-D789 HydrophobicContact CD1-CB 3.72Å; I735-D789 HydrophobicContact CG1-CB 4.41Å; I735-D789 PolarHBondContact N-O 3.48Å; I735-L791 HydrophobicContact CD1-CD2 4.24Å; I735-L791 HydrophobicContact CG1-CD2 3.79Å; I735-L791 HydrophobicContact CG1-CG 3.86Å
736P96.9Very high93.2Very high4 Ų434.3 Ų34.33%0.02619%0.193CC..  trans-83.642.5-178.236.7-37.4000111.6Q462 F465 I466 S760 G761Q462-P736 HydrophobicContact CG-CB 3.84Å; Q462-P736 HydrophobicContact CG-CG 4.05Å; F465-P736 HydrophobicContact CB-CG 3.9Å; F465-P736 HydrophobicContact CD1-CG 3.56Å; F465-P736 HydrophobicContact CE1-CG 4.33Å; F465-P736 HydrophobicContact CG-CG 3.84Å; I466-P736 HydrophobicContact CG1-CG 4.29Å; P736-S760 WeakPolarHBondContact O-CA 3.17Å; P736-S760 WeakPolarHBondContact O-CB 3.34Å; P736-G761 PolarHBondContact O-N 2.82Å; P736-G761 VanDerWaalsContact O-N 3.11Å
737A97.1Very high93Very high0 Ų035.9 Ų35.90%020%0.203CC..EExtended strand (participates in β ladder)trans-116.3143.917900000110.7F465 W682 I735 W758 V759 Q786 D787F465-A737 HydrophobicContact CE1-CB 4.01Å; F465-A737 HydrophobicContact CZ-CB 4.19Å; W682-A737 HydrophobicContact CH2-CB 3.89Å; W682-A737 HydrophobicContact CZ2-CB 3.45Å; W682-A737 VanDerWaalsContact CZ2-CB 3.45Å; I735-A737 HydrophobicContact CG2-CB 3.68Å; I735-A737 PolarHBondContact O-N 3.21Å; A737-W758 HydrophobicContact CB-CE3 4.19Å; A737-V759 CarbonylContact C-O 3.52Å; A737-V759 WeakPolarHBondContact CA-O 3.29Å; A737-Q786 WeakPolarHBondContact O-CA 3.45Å; A737-Q786 WeakPolarHBondContact O-CG 3.42Å; A737-D787 PolarHBondContact O-N 2.74Å
738Y97.1Very high92.9Very high18 Ų1843.7 Ų43.77%0.07124%0.237CC..EExtended strand (participates in β ladder)trans-129.8127.8-172.7-59.1-100.3000109.6W758 V759 E764 A767 L784 R785 Q786Y738-W758 WeakPolarHBondContact O-CA 3.46Å; Y738-V759 PolarHBondContact N-O 3.09Å; Y738-V759 PolarHBondContact O-N 3.27Å; Y738-E764 HydrophobicContact CE1-CB 4.32Å; Y738-E764 HydrophobicContact CE1-CG 4.25Å; Y738-A767 HydrophobicContact CD2-CB 3.46Å; Y738-A767 VanDerWaalsContact CD2-CB 3.46Å; Y738-A767 HydrophobicContact CE2-CB 3.81Å; Y738-A767 HydrophobicContact CG-CB 3.94Å; Y738-L784 HydrophobicContact CD1-CB 4.09Å; Y738-L784 HydrophobicContact CD1-CD1 4.03Å; Y738-L784 HydrophobicContact CG-CD1 4.03Å; Y738-R785 CarbonylContact C-O 3.57Å; Y738-R785 WeakPolarHBondContact CA-O 3.39Å; Y738-Q786 HydrophobicContact CD1-CB 3.67Å; Y738-Q786 HydrophobicContact CD1-CG 4.08Å; Y738-Q786 HydrophobicContact CE1-CB 3.61Å; Y738-Q786 HydrophobicContact CE1-CG 3.81Å; Y738-Q786 HydrophobicContact CG-CB 4.48Å
739F96.4Very high92.8Very high21 Ų2148 Ų489%0.09227%0.268CS..EExtended strand (participates in β ladder)trans-75.7130169.3-173.9-99.8000109.1Y757 W758 L784 R785F739-Y757 CarbonylContact C-O 3.55Å; F739-Y757 WeakPolarHBondContact CA-O 3.26Å; F739-W758 HydrophobicContact CB-CD2 4.24Å; F739-W758 HydrophobicContact CB-CE3 4.05Å; F739-W758 HydrophobicContact CB-CH2 3.76Å; F739-W758 HydrophobicContact CB-CZ2 3.93Å; F739-W758 HydrophobicContact CB-CZ3 3.8Å; F739-W758 HydrophobicContact CD2-CD2 4.14Å; F739-W758 AromaticContact CD2-CE2 3.61Å; F739-W758 AromaticContact CD2-CZ2 3.85Å; F739-W758 HydrophobicContact CD2-CZ2 3.85Å; F739-W758 AromaticContact CD2-NE1 3.67Å; F739-W758 HydrophobicContact CG-CZ2 4.3Å; F739-W758 VanDerWaalsContact N-CE3 3.33Å; F739-W758 VanDerWaalsContact N-CZ3 3.33Å; F739-L784 WeakPolarHBondContact O-CA 3.42Å; F739-R785 HydrophobicContact CB-CB 4.5Å; F739-R785 PolarHBondContact N-O 3.25Å; F739-R785 PolarHBondContact O-N 2.68Å
740V96.5Very high92.5Very high0 Ų048.8 Ų48.80%028%0.278CS..EExtended strand (participates in β ladder)trans-95.3123-176.6-176.90000109.6V742 Y757 V759 A771 F775 I782 L784V740-V742 HydrophobicContact CG1-CG2 3.86Å; V740-Y757 WeakPolarHBondContact CB-O 3.45Å; V740-Y757 WeakPolarHBondContact CG2-O 3.3Å; V740-Y757 PolarHBondContact N-O 3.34Å; V740-Y757 WeakPolarHBondContact O-CD1 3.5Å; V740-V759 HydrophobicContact CG2-CB 4.43Å; V740-V759 HydrophobicContact CG2-CG1 4.02Å; V740-V759 HydrophobicContact CG2-CG2 3.67Å; V740-A771 HydrophobicContact CB-CB 4.44Å; V740-A771 HydrophobicContact CG1-CB 3.88Å; V740-A771 HydrophobicContact CG2-CB 3.61Å; V740-F775 HydrophobicContact CB-CE2 3.95Å; V740-F775 HydrophobicContact CG1-CD2 3.93Å; V740-F775 HydrophobicContact CG1-CE2 3.63Å; V740-F775 HydrophobicContact CG2-CE2 4.31Å; V740-I782 HydrophobicContact CG1-CD1 3.97Å; V740-I782 HydrophobicContact CG1-CG2 4.17Å; V740-L784 HydrophobicContact CB-CD2 4.33Å; V740-L784 HydrophobicContact CG1-CD2 4.49Å; V740-L784 HydrophobicContact CG2-CD2 3.81Å
741T95.3Very high92.2Very high66 Ų6653.5 Ų53.541%0.40530%0.302SS..EExtended strand (participates in β ladder)trans-106.2121163.3-59.50000108.2S783T741-S783 PolarHBondContact N-O 3.42Å; T741-S783 PolarHBondContact O-N 2.98Å
742V93.7Very high91.7Very high20 Ų2055.8 Ų55.812%0.12131%0.314CS..EExtended strand (participates in β ladder)trans-97.4116.2177.5-172.20000109.1V740 D744 V747 F775 V777 I782V740-V742 HydrophobicContact CG1-CG2 3.86Å; V742-D744 HydrophobicContact CG1-CB 3.88Å; V742-D744 PolarHBondContact O-N 3.45Å; V742-V747 HydrophobicContact CB-CB 4.13Å; V742-V747 HydrophobicContact CB-CG1 3.97Å; V742-V747 HydrophobicContact CB-CG2 4.49Å; V742-V747 HydrophobicContact CG1-CB 4.06Å; V742-V747 HydrophobicContact CG1-CG1 4.31Å; V742-V747 HydrophobicContact CG1-CG2 3.93Å; V742-V747 HydrophobicContact CG2-CG1 4.08Å; V742-F775 HydrophobicContact CG2-CB 4.12Å; V742-F775 HydrophobicContact CG2-CD1 3.88Å; V742-F775 HydrophobicContact CG2-CD2 3.79Å; V742-F775 HydrophobicContact CG2-CE1 4.23Å; V742-F775 HydrophobicContact CG2-CE2 4.18Å; V742-F775 HydrophobicContact CG2-CG 3.64Å; V742-F775 HydrophobicContact CG2-CZ 4.39Å; V742-V777 HydrophobicContact CG1-CG1 4.19Å; V742-V777 HydrophobicContact CG1-CG2 4.11Å; V742-I782 HydrophobicContact CG1-CD1 4.39Å; V742-I782 HydrophobicContact CG2-CD1 3.91Å
743N90.9Very high91.1Very high95 Ų9558.1 Ų58.151%0.50832%0.323SS..  trans-82.255.5177.1-62.2-32.9000110.5K781 S783N743-K781 PolarHBondContact N-O 3Å; N743-S783 PolarHBondContact ND2-OG 3.14Å; N743-S783 VanDerWaalsContact ND2-OG 3.13Å
744D87.3Confident90.7Very high35 Ų3560.9 Ų60.919%0.18734%0.338CS..  trans-136119.3175.8-163.6-48.7000109.7V742 A746 V747 K781V742-D744 HydrophobicContact CG1-CB 3.88Å; V742-D744 PolarHBondContact O-N 3.45Å; D744-A746 PolarHBondContact O-N 2.79Å; D744-A746 WeakPolarHBondContact OD1-CB 3.44Å; D744-A746 PolarHBondContact OD1-N 2.99Å; D744-V747 HydrophobicContact CB-CG2 4.26Å; D744-V747 PolarHBondContact O-N 3.37Å; D744-K781 HydrophobicContact CB-CD 4.38Å; D744-K781 IonicContact OD2-NZ 2.71Å; D744-K781 PolarHBondContact OD2-NZ 3.49Å
745P86.4Confident90.2Very high139 Ų13957.6 Ų57.690%0.90334%0.338SS*.THydrogen-bonded Turntrans-58-19.8179.5-24.734.1000114.8V747P745-V747 VanDerWaalsContact C-N 3.29Å
746A87.6Confident89.8Confident91 Ų9161.7 Ų61.775%0.75236%0.357SS*.THydrogen-bonded Turntrans-76.3-16.2176.900000113.3D744D744-A746 PolarHBondContact O-N 2.79Å; D744-A746 WeakPolarHBondContact OD1-CB 3.44Å; D744-A746 PolarHBondContact OD1-N 2.99Å
747V88Confident89.7Confident33 Ų3362.3 Ų62.320%0.236%0.359CS..SBendtrans-100.6128.9-179.7-177.90000109.3V742 D744 P745 Y757 F775V742-V747 HydrophobicContact CB-CB 4.13Å; V742-V747 HydrophobicContact CB-CG1 3.97Å; V742-V747 HydrophobicContact CB-CG2 4.49Å; V742-V747 HydrophobicContact CG1-CB 4.06Å; V742-V747 HydrophobicContact CG1-CG1 4.31Å; V742-V747 HydrophobicContact CG1-CG2 3.93Å; V742-V747 HydrophobicContact CG2-CG1 4.08Å; D744-V747 HydrophobicContact CB-CG2 4.26Å; D744-V747 PolarHBondContact O-N 3.37Å; P745-V747 VanDerWaalsContact C-N 3.29Å; V747-Y757 HydrophobicContact CG1-CE1 4.47Å; V747-F775 HydrophobicContact CG1-CD1 3.84Å; V747-F775 HydrophobicContact CG1-CE1 4.13Å
748K88.9Confident89.6Confident175 Ų17562.3 Ų62.376%0.76136%0.359SS*.PPolyproline II helixtrans-61.9142.6176.4-69.8-176.8179.2179.60109.9G750 Y757K748-G750 PolarHBondContact O-N 3.48Å; K748-Y757 PolarHBondContact O-OH 2.86Å
749P87.8Confident89.6Confident125 Ų12561.5 Ų61.581%0.81236%0.355SS*.PPolyproline II helixtrans-56.7132.7169.9-24.934.7000110.4
750G84.7Confident89.7Confident24 Ų2460.5 Ų60.525%0.24735%0.351CS..PPolyproline II helixtrans-69.9149.817700000112.1K748 Y757K748-G750 PolarHBondContact O-N 3.48Å; G750-Y757 VanDerWaalsContact CA-CZ 3.48Å
751E85.7Confident89.6Confident144 Ų14460.5 Ų60.567%0.67335%0.351SS*.  trans-104147.6167.1-65.4-175.4-175.100109.5M753 D754E751-M753 PolarHBondContact O-N 3.48Å; E751-D754 PolarHBondContact O-N 3.5Å
752D82.3Confident89.5Confident50 Ų5061.6 Ų61.627%0.26735%0.348SS..THydrogen-bonded Turntrans-56.8-26.5-178.3-165.691000112.8R476 P680 W758 R785R476-D752 VanDerWaalsContact CD-O 3.3Å; R476-D752 WeakPolarHBondContact CD-O 3.41Å; R476-D752 IonicContact CZ-OD2 3.73Å; R476-D752 VanDerWaalsContact CZ-OD2 3.26Å; R476-D752 PolarHBondContact NE-O 2.91Å; R476-D752 IonicContact NE-OD2 2.93Å; R476-D752 PolarHBondContact NE-OD2 2.84Å; R476-D752 IonicContact NH2-OD1 2.74Å; R476-D752 IonicContact NH2-OD2 3.9Å; R476-D752 PolarHBondContact NH2-OD2 3.09Å; P680-D752 WeakPolarHBondContact CB-OD2 3.37Å; D752-W758 PolarHBondContact O-NE1 3.36Å; D752-W758 WeakPolarHBondContact OD1-CZ2 3.41Å; D752-R785 IonicContact OD1-NH2 2.82Å
753M83.1Confident89.6Confident60 Ų6062.9 Ų62.930%0.29636%0.357SS..THydrogen-bonded Turntrans-81.8-15.5178.9-66.2-45.6-47.100115K478 P680 E751 G755K478-M753 HydrophobicContact CB-CE 3.53Å; K478-M753 HydrophobicContact CB-CG 4.45Å; K478-M753 HydrophobicContact CB-SD 3.64Å; K478-M753 HydrophobicContact CD-SD 4.34Å; K478-M753 HydrophobicContact CG-SD 4.31Å; P680-M753 HydrophobicContact CB-SD 3.55Å; P680-M753 VanDerWaalsContact CB-SD 3.55Å; E751-M753 PolarHBondContact O-N 3.48Å; M753-G755 PolarHBondContact O-N 3.17Å
754D86.5Confident89.8Confident71 Ų7162.2 Ų62.238%0.3835%0.352SS..  trans-84.3103.1-178.7-172.2-7.9000109.7E751 H756 Y757E751-D754 PolarHBondContact O-N 3.5Å; D754-H756 PolarHBondContact O-N 2.9Å; D754-H756 WeakPolarHBondContact OD1-CB 3.39Å; D754-H756 PolarHBondContact OD1-N 2.88Å; D754-Y757 HydrophobicContact CB-CD2 3.88Å; D754-Y757 HydrophobicContact CB-CE2 4.48Å; D754-Y757 PolarHBondContact O-N 3.39Å; D754-Y757 WeakPolarHBondContact OD2-CD2 3.41Å; D754-Y757 VanDerWaalsContact OD2-CE2 3.31Å; D754-Y757 WeakPolarHBondContact OD2-CE2 3.34Å
755G85.3Confident90.2Very high38 Ų3866.2 Ų66.239%0.39237%0.369SS..G310 helixtrans-55.7-20.3176.400000113.7M753 Y757 W758M753-G755 PolarHBondContact O-N 3.17Å; G755-Y757 PolarHBondContact O-N 3.26Å; G755-W758 PolarHBondContact O-N 3.22Å; G755-W758 VanDerWaalsContact O-N 3.15Å
756H89.3Confident90.6Very high86 Ų8661.5 Ų61.540%0.39834%0.335SS..G310 helixtrans-59.5-35.2173.7-169.568.5000112.3D754 W758 R774 F775D754-H756 PolarHBondContact O-N 2.9Å; D754-H756 WeakPolarHBondContact OD1-CB 3.39Å; D754-H756 PolarHBondContact OD1-N 2.88Å; H756-W758 VanDerWaalsContact C-N 3.32Å; H756-W758 PolarHBondContact O-N 2.94Å; H756-R774 WeakPolarHBondContact O-CD 3.42Å; H756-R774 PolarHBondContact O-NH1 3.17Å; H756-F775 AromaticContact CD2-CE1 3.42Å; H756-F775 VanDerWaalsContact CD2-CE1 3.42Å; H756-F775 WeakPolarHBondContact CD2-CE1 3.43Å; H756-F775 AromaticContact CD2-CZ 3.55Å; H756-F775 AromaticContact NE2-CD1 3.95Å; H756-F775 AromaticContact NE2-CE1 3.5Å; H756-F775 AromaticContact NE2-CZ 3.87Å
757Y94.1Very high91Very high18 Ų1857.1 Ų57.17%0.07130%0.299CS..G310 helixtrans-87.35.2179.9-68.4-97.7000113.7F739 V740 V747 K748 G750 D754 G755 F775F739-Y757 CarbonylContact C-O 3.55Å; F739-Y757 WeakPolarHBondContact CA-O 3.26Å; V740-Y757 WeakPolarHBondContact CB-O 3.45Å; V740-Y757 WeakPolarHBondContact CG2-O 3.3Å; V740-Y757 PolarHBondContact N-O 3.34Å; V740-Y757 WeakPolarHBondContact O-CD1 3.5Å; V747-Y757 HydrophobicContact CG1-CE1 4.47Å; K748-Y757 PolarHBondContact O-OH 2.86Å; G750-Y757 VanDerWaalsContact CA-CZ 3.48Å; D754-Y757 HydrophobicContact CB-CD2 3.88Å; D754-Y757 HydrophobicContact CB-CE2 4.48Å; D754-Y757 PolarHBondContact O-N 3.39Å; D754-Y757 WeakPolarHBondContact OD2-CD2 3.41Å; D754-Y757 VanDerWaalsContact OD2-CE2 3.31Å; D754-Y757 WeakPolarHBondContact OD2-CE2 3.34Å; G755-Y757 PolarHBondContact O-N 3.26Å; Y757-F775 AromaticContact CD1-CE1 3.91Å; Y757-F775 HydrophobicContact CD1-CE1 3.91Å; Y757-F775 HydrophobicContact CD1-CE2 4.34Å; Y757-F775 AromaticContact CD1-CZ 3.42Å; Y757-F775 HydrophobicContact CD1-CZ 3.42Å; Y757-F775 VanDerWaalsContact CD1-CZ 3.42Å; Y757-F775 HydrophobicContact CD2-CZ 4.24Å; Y757-F775 AromaticContact CE1-CE1 3.52Å; Y757-F775 HydrophobicContact CE1-CE1 3.52Å; Y757-F775 AromaticContact CE1-CZ 3.57Å; Y757-F775 HydrophobicContact CE1-CZ 3.57Å; Y757-F775 HydrophobicContact CE2-CE1 4.26Å; Y757-F775 HydrophobicContact CE2-CZ 4.34Å; Y757-F775 HydrophobicContact CG-CE1 4.46Å; Y757-F775 AromaticContact CG-CZ 3.8Å; Y757-F775 HydrophobicContact CG-CZ 3.8Å; Y757-F775 AromaticContact CZ-CE1 3.71Å
758W95.6Very high91.4Very high0 Ų058.2 Ų58.20%030%0.301CS..EExtended strand (participates in β ladder)trans-110.6123.7174.3-72.695.6000111.5H469 R476 W682 A737 Y738 F739 D752 G755 H756 R774 D787H469-W758 PolarHBondContact CE1-O 2.75Å; R476-W758 VanDerWaalsContact CD-NE1 3.29Å; W682-W758 HydrophobicContact CH2-CB 3.87Å; W682-W758 HydrophobicContact CH2-CD2 4.38Å; W682-W758 HydrophobicContact CH2-CE3 4.48Å; W682-W758 HydrophobicContact CH2-CG 4.16Å; W682-W758 HydrophobicContact CZ2-CB 4.32Å; W682-W758 AromaticContact CZ2-CD2 3.93Å; W682-W758 HydrophobicContact CZ2-CD2 3.93Å; W682-W758 AromaticContact CZ2-CE3 3.81Å; W682-W758 HydrophobicContact CZ2-CE3 3.81Å; W682-W758 HydrophobicContact CZ2-CG 4.19Å; W682-W758 HydrophobicContact CZ2-CZ3 4.4Å; A737-W758 HydrophobicContact CB-CE3 4.19Å; Y738-W758 WeakPolarHBondContact O-CA 3.46Å; F739-W758 HydrophobicContact CB-CD2 4.24Å; F739-W758 HydrophobicContact CB-CE3 4.05Å; F739-W758 HydrophobicContact CB-CH2 3.76Å; F739-W758 HydrophobicContact CB-CZ2 3.93Å; F739-W758 HydrophobicContact CB-CZ3 3.8Å; F739-W758 HydrophobicContact CD2-CD2 4.14Å; F739-W758 AromaticContact CD2-CE2 3.61Å; F739-W758 AromaticContact CD2-CZ2 3.85Å; F739-W758 HydrophobicContact CD2-CZ2 3.85Å; F739-W758 AromaticContact CD2-NE1 3.67Å; F739-W758 HydrophobicContact CG-CZ2 4.3Å; F739-W758 VanDerWaalsContact N-CE3 3.33Å; F739-W758 VanDerWaalsContact N-CZ3 3.33Å; D752-W758 PolarHBondContact O-NE1 3.36Å; D752-W758 WeakPolarHBondContact OD1-CZ2 3.41Å; G755-W758 PolarHBondContact O-N 3.22Å; G755-W758 VanDerWaalsContact O-N 3.15Å; H756-W758 VanDerWaalsContact C-N 3.32Å; H756-W758 PolarHBondContact O-N 2.94Å; W758-R774 PolarHBondContact O-NH1 3.15Å; W758-D787 HydrophobicContact CH2-CB 4.15Å; W758-D787 HydrophobicContact CZ3-CB 3.87Å
759V96.8Very high91.8Very high0 Ų056 Ų560%029%0.293CS..EExtended strand (participates in β ladder)trans-121.3142.5176.3-66.20000110.3A737 Y738 V740 A767 K770 A771 L784A737-V759 CarbonylContact C-O 3.52Å; A737-V759 WeakPolarHBondContact CA-O 3.29Å; Y738-V759 PolarHBondContact N-O 3.09Å; Y738-V759 PolarHBondContact O-N 3.27Å; V740-V759 HydrophobicContact CG2-CB 4.43Å; V740-V759 HydrophobicContact CG2-CG1 4.02Å; V740-V759 HydrophobicContact CG2-CG2 3.67Å; V759-A767 HydrophobicContact CG2-CB 4.1Å; V759-K770 HydrophobicContact CG1-CB 4.48Å; V759-A771 HydrophobicContact CG1-CB 4.22Å; V759-A771 HydrophobicContact CG2-CB 4.18Å; V759-L784 HydrophobicContact CG2-CD2 4.38Å
760S97.2Very high92.1Very high0 Ų052.4 Ų52.40%027%0.265CS..EExtended strand (participates in β ladder)trans-108142.6174.157.10000111.8H469 P736 K770H469-S760 WeakPolarHBondContact ND1-CB 3.31Å; H469-S760 PolarHBondContact ND1-OG 3.31Å; P736-S760 WeakPolarHBondContact O-CA 3.17Å; P736-S760 WeakPolarHBondContact O-CB 3.34Å; S760-K770 WeakPolarHBondContact O-CD 3.45Å; S760-K770 PolarHBondContact O-NZ 3.33Å
761G95.6Very high92.7Very high0 Ų051.2 Ų51.20%025%0.253CS..  trans-155.1154.9-177.500000113.2P736 S763P736-G761 PolarHBondContact O-N 2.82Å; P736-G761 VanDerWaalsContact O-N 3.11Å; G761-S763 VanDerWaalsContact C-N 3.27Å
762R93.8Very high93.1Very high90 Ų9044.7 Ų44.734%0.3422%0.224SC..SBendtrans-72.3-28.1176.4-61.7172.1-170.781.1-0.9111.5Q462 E463 I466 E766Q462-R762 VanDerWaalsContact NE2-CA 3.33Å; Q462-R762 PolarHBondContact NE2-O 3.18Å; E463-R762 IonicContact OE1-NH2 3.91Å; E463-R762 PolarHBondContact OE1-NH2 2.82Å; E463-R762 IonicContact OE2-CZ 2.88Å; E463-R762 IonicContact OE2-NE 3.93Å; E463-R762 PolarHBondContact OE2-NE 2.97Å; E463-R762 IonicContact OE2-NH2 3.81Å; E463-R762 PolarHBondContact OE2-NH2 3.02Å; I466-R762 HydrophobicContact CD1-CB 4.34Å; I466-R762 HydrophobicContact CD1-CG 3.52Å; R762-E766 WeakPolarHBondContact CB-OE2 3.4Å; R762-E766 VanDerWaalsContact CG-OE2 3.25Å; R762-E766 WeakPolarHBondContact CG-OE2 3.4Å; R762-E766 PolarHBondContact N-OE2 3.09Å; R762-E766 VanDerWaalsContact NH1-CD 3.33Å; R762-E766 IonicContact NH1-OE1 3.62Å; R762-E766 PolarHBondContact NH1-OE1 3.04Å; R762-E766 IonicContact NH1-OE2 2.89Å; R762-E766 PolarHBondContact NH1-OE2 3.25Å; R762-E766 VanDerWaalsContact NH1-OE2 3.11Å
763S94.8Very high93.7Very high46 Ų4651 Ų5132%0.32225%0.249SC..SBendtrans-136.2169171.680.80000110.9G761 E765 E766 A767G761-S763 VanDerWaalsContact C-N 3.27Å; S763-E765 WeakPolarHBondContact CB-OE2 3.36Å; S763-E765 PolarHBondContact O-N 2.72Å; S763-E765 PolarHBondContact OG-N 2.92Å; S763-E765 PolarHBondContact OG-OE2 2.85Å; S763-E766 PolarHBondContact O-N 3.48Å; S763-E766 PolarHBondContact OG-N 2.84Å; S763-A767 PolarHBondContact O-N 3.03Å; S763-A767 VanDerWaalsContact O-N 3.14Å
764E94.4Very high94.2Very high82 Ų8252.4 Ų52.438%0.38325%0.251SS..Hα-helixtrans-64.1-33.6175.1-169.4-179.1139.300111.3Y738 A767 K768 L784Y738-E764 HydrophobicContact CE1-CB 4.32Å; Y738-E764 HydrophobicContact CE1-CG 4.25Å; E764-A767 PolarHBondContact O-N 3.26Å; E764-K768 WeakPolarHBondContact O-CB 3.36Å; E764-K768 WeakPolarHBondContact O-CG 3.3Å; E764-K768 PolarHBondContact O-N 3.41Å; E764-K768 WeakPolarHBondContact OE1-CE 3.49Å; E764-K768 IonicContact OE1-NZ 2.82Å; E764-K768 PolarHBondContact OE1-NZ 3.41Å; E764-L784 HydrophobicContact CG-CD1 4.03Å
765E95.6Very high94.6Very high118 Ų11850.1 Ų50.155%0.55124%0.237SC*.Hα-helixtrans-63.9-49.3176.5-59.571.9-155.200111.4S763 A767 K768 E769S763-E765 WeakPolarHBondContact CB-OE2 3.36Å; S763-E765 PolarHBondContact O-N 2.72Å; S763-E765 PolarHBondContact OG-N 2.92Å; S763-E765 PolarHBondContact OG-OE2 2.85Å; E765-A767 VanDerWaalsContact C-N 3.28Å; E765-A767 PolarHBondContact O-N 3.49Å; E765-K768 PolarHBondContact O-N 2.99Å; E765-K768 VanDerWaalsContact O-N 3.15Å; E765-E769 WeakPolarHBondContact O-CG 3.4Å; E765-E769 PolarHBondContact O-N 2.79Å
766E95.9Very high95Very high40 Ų4055.4 Ų55.419%0.18726%0.257CS..Hα-helixtrans-58.7-42.8175.7-173.5-167.3158.400110.8R762 S763 K768 E769 K770R762-E766 WeakPolarHBondContact CB-OE2 3.4Å; R762-E766 VanDerWaalsContact CG-OE2 3.25Å; R762-E766 WeakPolarHBondContact CG-OE2 3.4Å; R762-E766 PolarHBondContact N-OE2 3.09Å; R762-E766 VanDerWaalsContact NH1-CD 3.33Å; R762-E766 IonicContact NH1-OE1 3.62Å; R762-E766 PolarHBondContact NH1-OE1 3.04Å; R762-E766 IonicContact NH1-OE2 2.89Å; R762-E766 PolarHBondContact NH1-OE2 3.25Å; R762-E766 VanDerWaalsContact NH1-OE2 3.11Å; S763-E766 PolarHBondContact O-N 3.48Å; S763-E766 PolarHBondContact OG-N 2.84Å; E766-K768 PolarHBondContact O-N 3.4Å; E766-E769 PolarHBondContact O-N 2.71Å; E766-K770 WeakPolarHBondContact O-CG 3.39Å; E766-K770 PolarHBondContact O-N 3.34Å; E766-K770 WeakPolarHBondContact OE1-CE 3.3Å; E766-K770 IonicContact OE1-NZ 3.28Å; E766-K770 PolarHBondContact OE1-NZ 3.09Å
767A96.1Very high95.2Very high0 Ų052.6 Ų52.60%025%0.246CC..Hα-helixtrans-63.5-40.8177.900000111.9Y738 V759 S763 E764 E765 K770 A771 L784Y738-A767 HydrophobicContact CD2-CB 3.46Å; Y738-A767 VanDerWaalsContact CD2-CB 3.46Å; Y738-A767 HydrophobicContact CE2-CB 3.81Å; Y738-A767 HydrophobicContact CG-CB 3.94Å; V759-A767 HydrophobicContact CG2-CB 4.1Å; S763-A767 PolarHBondContact O-N 3.03Å; S763-A767 VanDerWaalsContact O-N 3.14Å; E764-A767 PolarHBondContact O-N 3.26Å; E765-A767 VanDerWaalsContact C-N 3.28Å; E765-A767 PolarHBondContact O-N 3.49Å; A767-K770 PolarHBondContact O-N 3.32Å; A767-A771 WeakPolarHBondContact O-CB 3.23Å; A767-A771 PolarHBondContact O-N 3.03Å; A767-L784 HydrophobicContact CB-CD1 3.57Å
768K96.4Very high95.1Very high56 Ų5654.3 Ų54.324%0.24326%0.26CS..Hα-helixtrans-63.6-43.4176.9-81.6179.7-176.6159.40111.6E764 E765 E766 A771 A772 V779 I782 L784E764-K768 WeakPolarHBondContact O-CB 3.36Å; E764-K768 WeakPolarHBondContact O-CG 3.3Å; E764-K768 PolarHBondContact O-N 3.41Å; E764-K768 WeakPolarHBondContact OE1-CE 3.49Å; E764-K768 IonicContact OE1-NZ 2.82Å; E764-K768 PolarHBondContact OE1-NZ 3.41Å; E765-K768 PolarHBondContact O-N 2.99Å; E765-K768 VanDerWaalsContact O-N 3.15Å; E766-K768 PolarHBondContact O-N 3.4Å; K768-A771 PolarHBondContact O-N 3.29Å; K768-A772 WeakPolarHBondContact O-CB 3.27Å; K768-A772 PolarHBondContact O-N 3.41Å; K768-V779 HydrophobicContact CB-CG1 4.11Å; K768-I782 HydrophobicContact CG-CG2 4.25Å; K768-L784 HydrophobicContact CB-CD1 4.32Å; K768-L784 HydrophobicContact CG-CD1 3.51Å; K768-L784 HydrophobicContact CG-CG 3.8Å
769E96.1Very high95Very high128 Ų12857.7 Ų57.760%0.59828%0.28SS*.Hα-helixtrans-63-45.2176.7-71.2177.4179.700111.8E765 E766 A771 A772 K773E765-E769 WeakPolarHBondContact O-CG 3.4Å; E765-E769 PolarHBondContact O-N 2.79Å; E766-E769 PolarHBondContact O-N 2.71Å; E769-A771 VanDerWaalsContact C-N 3.33Å; E769-A771 PolarHBondContact O-N 3.01Å; E769-A772 PolarHBondContact O-N 3.25Å; E769-K773 WeakPolarHBondContact O-CB 3.32Å; E769-K773 PolarHBondContact O-N 3.41Å
770K95.8Very high94.8Very high49 Ų4963.9 Ų63.921%0.21331%0.314CS..Hα-helixtrans-59.6-43.4174.8-75.9-176.8-178.8-179.50111.8D470 V759 S760 E766 A767 R774D470-K770 IonicContact OD1-NZ 2.56Å; D470-K770 IonicContact OD2-NZ 3.6Å; D470-K770 PolarHBondContact OD2-NZ 3.35Å; V759-K770 HydrophobicContact CG1-CB 4.48Å; S760-K770 WeakPolarHBondContact O-CD 3.45Å; S760-K770 PolarHBondContact O-NZ 3.33Å; E766-K770 WeakPolarHBondContact O-CG 3.39Å; E766-K770 PolarHBondContact O-N 3.34Å; E766-K770 WeakPolarHBondContact OE1-CE 3.3Å; E766-K770 IonicContact OE1-NZ 3.28Å; E766-K770 PolarHBondContact OE1-NZ 3.09Å; A767-K770 PolarHBondContact O-N 3.32Å; K770-R774 WeakPolarHBondContact O-CB 3.38Å; K770-R774 PolarHBondContact O-N 3.26Å
771A95.4Very high94.7Very high0 Ų067.2 Ų67.20%033%0.328CS..Hα-helixtrans-64.6-48.7177.700000112.2V740 V759 A767 K768 E769 K773 R774 F775 I782 L784V740-A771 HydrophobicContact CB-CB 4.44Å; V740-A771 HydrophobicContact CG1-CB 3.88Å; V740-A771 HydrophobicContact CG2-CB 3.61Å; V759-A771 HydrophobicContact CG1-CB 4.22Å; V759-A771 HydrophobicContact CG2-CB 4.18Å; A767-A771 WeakPolarHBondContact O-CB 3.23Å; A767-A771 PolarHBondContact O-N 3.03Å; K768-A771 PolarHBondContact O-N 3.29Å; E769-A771 VanDerWaalsContact C-N 3.33Å; E769-A771 PolarHBondContact O-N 3.01Å; A771-K773 VanDerWaalsContact C-N 3.29Å; A771-K773 PolarHBondContact O-N 3.29Å; A771-R774 PolarHBondContact O-N 3.15Å; A771-F775 WeakPolarHBondContact O-CD2 3.12Å; A771-F775 PolarHBondContact O-N 3.19Å; A771-I782 HydrophobicContact CB-CD1 4.26Å; A771-I782 HydrophobicContact CB-CG1 4.31Å; A771-I782 HydrophobicContact CB-CG2 3.84Å; A771-L784 HydrophobicContact CB-CD2 4.38Å
772A95.1Very high94.7Very high7 Ų767.7 Ų67.76%0.05833%0.33CS..Hα-helixtrans-55.9-45.4177.900000111.4K768 E769 N776 V777 V779 I782K768-A772 WeakPolarHBondContact O-CB 3.27Å; K768-A772 PolarHBondContact O-N 3.41Å; E769-A772 PolarHBondContact O-N 3.25Å; A772-N776 WeakPolarHBondContact O-CA 3.37Å; A772-N776 PolarHBondContact O-N 2.59Å; A772-V777 CarbonylContact C-O 3.56Å; A772-V777 WeakPolarHBondContact CB-O 3.18Å; A772-V777 PolarHBondContact O-N 2.87Å; A772-V779 HydrophobicContact CB-CB 4.45Å; A772-V779 HydrophobicContact CB-CG2 3.7Å; A772-I782 HydrophobicContact CB-CG1 4.11Å
773K95Very high94.7Very high182 Ų18265.8 Ų65.879%0.79133%0.331SS*.Hα-helixtrans-63.3-41.6175-173177.9-180-179.40112.6E769 A771 N776E769-K773 WeakPolarHBondContact O-CB 3.32Å; E769-K773 PolarHBondContact O-N 3.41Å; A771-K773 VanDerWaalsContact C-N 3.29Å; A771-K773 PolarHBondContact O-N 3.29Å; K773-N776 PolarHBondContact O-N 3.44Å
774R94Very high94.8Very high90 Ų9065.1 Ų65.134%0.3432%0.324SS..Hα-helixtrans-65.2-42.4-178.8-178.5173.8-67.8173.6-0.4112.7H756 W758 K770 A771H756-R774 WeakPolarHBondContact O-CD 3.42Å; H756-R774 PolarHBondContact O-NH1 3.17Å; W758-R774 PolarHBondContact O-NH1 3.15Å; K770-R774 WeakPolarHBondContact O-CB 3.38Å; K770-R774 PolarHBondContact O-N 3.26Å; A771-R774 PolarHBondContact O-N 3.15Å
775F94.1Very high94.8Very high22 Ų2266.8 Ų66.810%0.09633%0.326CS..Hα-helixtrans-90.5-1179.9-70.5-80.5000113.5V740 V742 V747 H756 Y757 A771 V777V740-F775 HydrophobicContact CB-CE2 3.95Å; V740-F775 HydrophobicContact CG1-CD2 3.93Å; V740-F775 HydrophobicContact CG1-CE2 3.63Å; V740-F775 HydrophobicContact CG2-CE2 4.31Å; V742-F775 HydrophobicContact CG2-CB 4.12Å; V742-F775 HydrophobicContact CG2-CD1 3.88Å; V742-F775 HydrophobicContact CG2-CD2 3.79Å; V742-F775 HydrophobicContact CG2-CE1 4.23Å; V742-F775 HydrophobicContact CG2-CE2 4.18Å; V742-F775 HydrophobicContact CG2-CG 3.64Å; V742-F775 HydrophobicContact CG2-CZ 4.39Å; V747-F775 HydrophobicContact CG1-CD1 3.84Å; V747-F775 HydrophobicContact CG1-CE1 4.13Å; H756-F775 AromaticContact CD2-CE1 3.42Å; H756-F775 VanDerWaalsContact CD2-CE1 3.42Å; H756-F775 WeakPolarHBondContact CD2-CE1 3.43Å; H756-F775 AromaticContact CD2-CZ 3.55Å; H756-F775 AromaticContact NE2-CD1 3.95Å; H756-F775 AromaticContact NE2-CE1 3.5Å; H756-F775 AromaticContact NE2-CZ 3.87Å; Y757-F775 AromaticContact CD1-CE1 3.91Å; Y757-F775 HydrophobicContact CD1-CE1 3.91Å; Y757-F775 HydrophobicContact CD1-CE2 4.34Å; Y757-F775 AromaticContact CD1-CZ 3.42Å; Y757-F775 HydrophobicContact CD1-CZ 3.42Å; Y757-F775 VanDerWaalsContact CD1-CZ 3.42Å; Y757-F775 HydrophobicContact CD2-CZ 4.24Å; Y757-F775 AromaticContact CE1-CE1 3.52Å; Y757-F775 HydrophobicContact CE1-CE1 3.52Å; Y757-F775 AromaticContact CE1-CZ 3.57Å; Y757-F775 HydrophobicContact CE1-CZ 3.57Å; Y757-F775 HydrophobicContact CE2-CE1 4.26Å; Y757-F775 HydrophobicContact CE2-CZ 4.34Å; Y757-F775 HydrophobicContact CG-CE1 4.46Å; Y757-F775 AromaticContact CG-CZ 3.8Å; Y757-F775 HydrophobicContact CG-CZ 3.8Å; Y757-F775 AromaticContact CZ-CE1 3.71Å; A771-F775 WeakPolarHBondContact O-CD2 3.12Å; A771-F775 PolarHBondContact O-N 3.19Å; F775-V777 VanDerWaalsContact C-N 3.32Å; F775-V777 HydrophobicContact CB-CG2 4.05Å; F775-V777 PolarHBondContact O-N 3.42Å
776N93.6Very high94.8Very high150 Ų15063.1 Ų63.180%0.80231%0.31SS*.THydrogen-bonded Turntrans53.646.1-177-166.347.6000113A772 K773A772-N776 WeakPolarHBondContact O-CA 3.37Å; A772-N776 PolarHBondContact O-N 2.59Å; K773-N776 PolarHBondContact O-N 3.44Å
777V93.8Very high94.7Very high27 Ų2761.6 Ų61.616%0.16430%0.303CS..SBendtrans-126.1167.3177.9-63.50000110.5V742 A772 F775 K781 I782V742-V777 HydrophobicContact CG1-CG1 4.19Å; V742-V777 HydrophobicContact CG1-CG2 4.11Å; A772-V777 CarbonylContact C-O 3.56Å; A772-V777 WeakPolarHBondContact CB-O 3.18Å; A772-V777 PolarHBondContact O-N 2.87Å; F775-V777 VanDerWaalsContact C-N 3.32Å; F775-V777 HydrophobicContact CB-CG2 4.05Å; F775-V777 PolarHBondContact O-N 3.42Å; V777-K781 HydrophobicContact CB-CB 4.38Å; V777-K781 HydrophobicContact CB-CD 4.23Å; V777-K781 HydrophobicContact CG2-CB 4.35Å; V777-I782 HydrophobicContact CG2-CD1 3.57Å; V777-I782 HydrophobicContact CG2-CG1 4.1Å
778S92.6Very high94.6Very high54 Ų5467.4 Ų67.438%0.37833%0.33SS..  trans-74.3152.3173.459.70000111.7D780 K781S778-D780 WeakPolarHBondContact CB-OD1 3.34Å; S778-D780 PolarHBondContact O-N 2.96Å; S778-D780 PolarHBondContact OG-OD1 3.47Å; S778-K781 WeakPolarHBondContact O-CB 3.42Å; S778-K781 PolarHBondContact O-N 3.26Å
779V92.8Very high94.5Very high70 Ų7065.6 Ų65.642%0.42432%0.323SS..G310 helixtrans-60.7-31.9-174.6174.30000112.6K768 A772 K781 I782K768-V779 HydrophobicContact CB-CG1 4.11Å; A772-V779 HydrophobicContact CB-CB 4.45Å; A772-V779 HydrophobicContact CB-CG2 3.7Å; V779-K781 PolarHBondContact O-N 3.45Å; V779-I782 PolarHBondContact O-N 2.94Å; V779-I782 VanDerWaalsContact O-N 3.09Å
780D93.7Very high94.5Very high130 Ų13059.6 Ų59.670%0.69530%0.295SS*.G310 helixtrans-64.5-20176.659.1-65.9000113.7S778 I782S778-D780 WeakPolarHBondContact CB-OD1 3.34Å; S778-D780 PolarHBondContact O-N 2.96Å; S778-D780 PolarHBondContact OG-OD1 3.47Å; D780-I782 VanDerWaalsContact C-N 3.32Å
781K93.7Very high94.4Very high71 Ų7157.4 Ų57.431%0.30929%0.286SS..G310 helixtrans-85.6-2.7175.1-66.7-177.6170.7-173.80113.5N743 D744 V777 S778 V779N743-K781 PolarHBondContact N-O 3Å; D744-K781 HydrophobicContact CB-CD 4.38Å; D744-K781 IonicContact OD2-NZ 2.71Å; D744-K781 PolarHBondContact OD2-NZ 3.49Å; V777-K781 HydrophobicContact CB-CB 4.38Å; V777-K781 HydrophobicContact CB-CD 4.23Å; V777-K781 HydrophobicContact CG2-CB 4.35Å; S778-K781 WeakPolarHBondContact O-CB 3.42Å; S778-K781 PolarHBondContact O-N 3.26Å; V779-K781 PolarHBondContact O-N 3.45Å
782I95.8Very high94.3Very high9 Ų957.9 Ų57.95%0.04629%0.288CS..EExtended strand (participates in β ladder)trans-100.9126.5-177.4-60.8-59.2000110.7V740 V742 K768 A771 A772 V777 V779 D780 L784V740-I782 HydrophobicContact CG1-CD1 3.97Å; V740-I782 HydrophobicContact CG1-CG2 4.17Å; V742-I782 HydrophobicContact CG1-CD1 4.39Å; V742-I782 HydrophobicContact CG2-CD1 3.91Å; K768-I782 HydrophobicContact CG-CG2 4.25Å; A771-I782 HydrophobicContact CB-CD1 4.26Å; A771-I782 HydrophobicContact CB-CG1 4.31Å; A771-I782 HydrophobicContact CB-CG2 3.84Å; A772-I782 HydrophobicContact CB-CG1 4.11Å; V777-I782 HydrophobicContact CG2-CD1 3.57Å; V777-I782 HydrophobicContact CG2-CG1 4.1Å; V779-I782 PolarHBondContact O-N 2.94Å; V779-I782 VanDerWaalsContact O-N 3.09Å; D780-I782 VanDerWaalsContact C-N 3.32Å; I782-L784 HydrophobicContact CG2-CD2 3.65Å; I782-L784 HydrophobicContact CG2-CG 4.04Å
783S94.8Very high94.1Very high51 Ų5158.3 Ų58.336%0.35729%0.29SS..EExtended strand (participates in β ladder)trans-113.5137.3165.1-62.30000109.4T741 N743T741-S783 PolarHBondContact N-O 3.42Å; T741-S783 PolarHBondContact O-N 2.98Å; N743-S783 PolarHBondContact ND2-OG 3.14Å; N743-S783 VanDerWaalsContact ND2-OG 3.13Å
784L96Very high94Very high31 Ų3152.8 Ų52.816%0.16226%0.264CS..EExtended strand (participates in β ladder)trans-116.7144.8-177.7-64.7-170.7000111.4Y738 F739 V740 V759 E764 A767 K768 A771 I782Y738-L784 HydrophobicContact CD1-CB 4.09Å; Y738-L784 HydrophobicContact CD1-CD1 4.03Å; Y738-L784 HydrophobicContact CG-CD1 4.03Å; F739-L784 WeakPolarHBondContact O-CA 3.42Å; V740-L784 HydrophobicContact CB-CD2 4.33Å; V740-L784 HydrophobicContact CG1-CD2 4.49Å; V740-L784 HydrophobicContact CG2-CD2 3.81Å; V759-L784 HydrophobicContact CG2-CD2 4.38Å; E764-L784 HydrophobicContact CG-CD1 4.03Å; A767-L784 HydrophobicContact CB-CD1 3.57Å; K768-L784 HydrophobicContact CB-CD1 4.32Å; K768-L784 HydrophobicContact CG-CD1 3.51Å; K768-L784 HydrophobicContact CG-CG 3.8Å; A771-L784 HydrophobicContact CB-CD2 4.38Å; I782-L784 HydrophobicContact CG2-CD2 3.65Å; I782-L784 HydrophobicContact CG2-CG 4.04Å
785R94.7Very high94.1Very high117 Ų11748.5 Ų48.544%0.44225%0.248SC..EExtended strand (participates in β ladder)trans-126.8111.8166.5179.8-179.863.585.80.6108.9Y738 F739 D752Y738-R785 CarbonylContact C-O 3.57Å; Y738-R785 WeakPolarHBondContact CA-O 3.39Å; F739-R785 HydrophobicContact CB-CB 4.5Å; F739-R785 PolarHBondContact N-O 3.25Å; F739-R785 PolarHBondContact O-N 2.68Å; D752-R785 IonicContact OD1-NH2 2.82Å
786Q95.6Very high94.2Very high42 Ų4247.6 Ų47.620%0.19624%0.244CC..EExtended strand (participates in β ladder)trans-64.8140.8176.1-166.9-178.29.400110.5I735 A737 Y738 E788I735-Q786 PolarHBondContact O-NE2 3.01Å; A737-Q786 WeakPolarHBondContact O-CA 3.45Å; A737-Q786 WeakPolarHBondContact O-CG 3.42Å; Y738-Q786 HydrophobicContact CD1-CB 3.67Å; Y738-Q786 HydrophobicContact CD1-CG 4.08Å; Y738-Q786 HydrophobicContact CE1-CB 3.61Å; Y738-Q786 HydrophobicContact CE1-CG 3.81Å; Y738-Q786 HydrophobicContact CG-CB 4.48Å; Q786-E788 PolarHBondContact O-N 2.69Å
787D94.6Very high94.2Very high8 Ų840.5 Ų40.54%0.04321%0.206CC..  trans-55.5137.6170.4-153.8-35.7000110.2R476 W682 R734 I735 A737 W758 D789R476-D787 IonicContact CZ-OD2 3.55Å; R476-D787 IonicContact NH1-OD2 3.11Å; R476-D787 PolarHBondContact NH1-OD2 3.17Å; R476-D787 IonicContact NH2-OD2 3.04Å; W682-D787 PolarHBondContact NE1-OD2 3.29Å; R734-D787 PolarHBondContact NE-O 3.32Å; R734-D787 PolarHBondContact NH2-O 3.04Å; I735-D787 HydrophobicContact CB-CB 4.3Å; I735-D787 HydrophobicContact CG2-CB 4.46Å; A737-D787 PolarHBondContact O-N 2.74Å; W758-D787 HydrophobicContact CH2-CB 4.15Å; W758-D787 HydrophobicContact CZ3-CB 3.87Å; D787-D789 WeakPolarHBondContact OD1-CB 3.43Å; D787-D789 PolarHBondContact OD1-N 2.71Å; D787-D789 VanDerWaalsContact OD1-N 3.12Å
788E93Very high94.3Very high121 Ų12139.2 Ų39.257%0.56520%0.199SC*.  trans-85.7-18.6-179.2-66.5-163.8171.800112.5R415 Q786R415-E788 PolarHBondContact NH1-O 3.31Å; R415-E788 PolarHBondContact NH2-O 3.28Å; Q786-E788 PolarHBondContact O-N 2.69Å
789D94.3Very high94.5Very high18 Ų1836.6 Ų36.610%0.09618%0.181CC..  trans-62155.1178-76.9-12.3000112Q681 S726 R727 Q728 I735 D787Q681-D789 PolarHBondContact OE1-OD2 3Å; S726-D789 WeakPolarHBondContact CB-OD2 3.28Å; R727-D789 WeakPolarHBondContact O-CA 3.46Å; Q728-D789 WeakPolarHBondContact CG-OD1 3.36Å; Q728-D789 PolarHBondContact NE2-OD1 3.1Å; Q728-D789 PolarHBondContact NE2-OD2 2.67Å; I735-D789 HydrophobicContact CD1-CB 3.72Å; I735-D789 HydrophobicContact CG1-CB 4.41Å; I735-D789 PolarHBondContact N-O 3.48Å; D787-D789 WeakPolarHBondContact OD1-CB 3.43Å; D787-D789 PolarHBondContact OD1-N 2.71Å; D787-D789 VanDerWaalsContact OD1-N 3.12Å
790V95.4Very high94.8Very high2 Ų233.3 Ų33.31%0.01216%0.16CC..EExtended strand (participates in β ladder)trans-110.6158.4169.6-580000110.5S726 R727 L729 H733S726-V790 CarbonylContact C-O 3.56Å; R727-V790 HydrophobicContact CB-CG2 4.12Å; R727-V790 PolarHBondContact N-O 2.93Å; R727-V790 PolarHBondContact O-N 3.33Å; L729-V790 HydrophobicContact CB-CG2 3.66Å; L729-V790 WeakPolarHBondContact O-CG1 3.43Å; H733-V790 CarbonylContact O-C 3.56Å; H733-V790 WeakPolarHBondContact O-CA 3.38Å; H733-V790 WeakPolarHBondContact O-CB 3.46Å
791L95.2Very high94.9Very high4 Ų427.2 Ų27.22%0.02113%0.128CC..EExtended strand (participates in β ladder)trans-73.1146.4175.3-67.8167.1000111.3V461 F465 I725 H733 I735 F795V461-L791 HydrophobicContact CG1-CD1 3.49Å; V461-L791 VanDerWaalsContact CG1-CD1 3.49Å; F465-L791 HydrophobicContact CD2-CD1 4.38Å; F465-L791 HydrophobicContact CD2-CD2 3.74Å; F465-L791 HydrophobicContact CE2-CD2 4.01Å; I725-L791 HydrophobicContact CB-CD2 4.39Å; I725-L791 HydrophobicContact CD1-CD2 3.97Å; I725-L791 HydrophobicContact CG1-CD2 4.43Å; I725-L791 CarbonylContact O-C 3.57Å; I725-L791 VanDerWaalsContact O-CA 3.31Å; I725-L791 WeakPolarHBondContact O-CA 3.48Å; H733-L791 HydrophobicContact CB-CB 4.36Å; H733-L791 HydrophobicContact CB-CD1 4.16Å; H733-L791 PolarHBondContact O-N 3.3Å; I735-L791 HydrophobicContact CD1-CD2 4.24Å; I735-L791 HydrophobicContact CG1-CD2 3.79Å; I735-L791 HydrophobicContact CG1-CG 3.86Å; L791-F795 HydrophobicContact CB-CB 4.39Å; L791-F795 HydrophobicContact CD1-CD1 3.77Å; L791-F795 HydrophobicContact CD1-CE1 3.99Å; L791-F795 HydrophobicContact CD2-CD1 4.4Å; L791-F795 HydrophobicContact CD2-CG 4.47Å; L791-F795 HydrophobicContact CG-CD1 4.46Å
792D91.7Very high95.1Very high10 Ų1023.8 Ų23.85%0.05311%0.113CC..  trans-51.8136.2166.5-174.512.8000109.9W723 I725 R727 W794 F795W723-D792 HydrophobicContact CZ2-CB 4.36Å; W723-D792 PolarHBondContact NE1-OD2 3.49Å; I725-D792 PolarHBondContact O-N 2.8Å; R727-D792 IonicContact CZ-OD1 2.79Å; R727-D792 IonicContact CZ-OD2 3.59Å; R727-D792 IonicContact NH2-OD1 2.69Å; R727-D792 PolarHBondContact NH2-OD1 3.37Å; R727-D792 IonicContact NH2-OD2 3Å; R727-D792 PolarHBondContact NH2-OD2 2.89Å; D792-W794 PolarHBondContact O-N 3.23Å; D792-F795 WeakPolarHBondContact O-CB 3.41Å; D792-F795 PolarHBondContact O-N 3.15Å
793T92.2Very high95.1Very high15 Ų1523.5 Ų23.59%0.09211%0.112CC..Hα-helixtrans-56.2-36.5179.1-62.10000111.4D388 H389 G391 F795 S796 S797D388-T793 WeakPolarHBondContact OD1-CG2 3.28Å; D388-T793 VanDerWaalsContact OD2-CG2 3.25Å; D388-T793 WeakPolarHBondContact OD2-CG2 2.98Å; H389-T793 VanDerWaalsContact CE1-CG2 3.45Å; H389-T793 WeakPolarHBondContact CE1-CG2 3.18Å; H389-T793 PolarHBondContact NE2-OG1 3.18Å; G391-T793 VanDerWaalsContact CA-OG1 3.28Å; G391-T793 WeakPolarHBondContact CA-OG1 3.44Å; G391-T793 PolarHBondContact N-OG1 3.42Å; T793-F795 PolarHBondContact O-N 3.37Å; T793-S796 PolarHBondContact O-N 3.22Å; T793-S796 PolarHBondContact O-OG 3.19Å; T793-S796 VanDerWaalsContact O-OG 3.13Å; T793-S797 PolarHBondContact O-N 3.31Å; T793-S797 PolarHBondContact O-OG 3.49Å
794W92.9Very high95.2Very high66 Ų6621.3 Ų21.325%0.2510%0.096CC..Hα-helixtrans-66.4-16.7178.2-57.3110.7000113.7W723 D792 G798 F832 W833W723-W794 HydrophobicContact CH2-CB 4.44Å; W723-W794 HydrophobicContact CZ2-CB 3.82Å; D792-W794 PolarHBondContact O-N 3.23Å; W794-G798 WeakPolarHBondContact O-CA 3.32Å; W794-G798 PolarHBondContact O-N 3.28Å; W794-F832 HydrophobicContact CD2-CB 3.89Å; W794-F832 HydrophobicContact CE3-CB 3.92Å; W794-F832 HydrophobicContact CH2-CB 3.7Å; W794-F832 HydrophobicContact CH2-CD2 4.46Å; W794-F832 HydrophobicContact CZ2-CB 3.65Å; W794-F832 HydrophobicContact CZ2-CD2 4.3Å; W794-F832 HydrophobicContact CZ2-CG 4.29Å; W794-F832 HydrophobicContact CZ3-CB 3.84Å; W794-W833 HydrophobicContact CE3-CB 4.25Å; W794-W833 HydrophobicContact CZ3-CB 3.88Å; W794-W833 HydrophobicContact CZ3-CG 4.31Å
795F95.8Very high95.2Very high0 Ų020.1 Ų20.10%09%0.089CC..Hα-helixtrans-70.5-45172.7-168.4-89000111.6V461 A464 F465 I474 V684 W723 I725 L791 D792 T793 M840V461-F795 HydrophobicContact CG1-CD1 3.98Å; V461-F795 HydrophobicContact CG1-CE1 4.12Å; A464-F795 HydrophobicContact CB-CE1 4.14Å; A464-F795 HydrophobicContact CB-CZ 4.22Å; F465-F795 HydrophobicContact CB-CE1 4.26Å; F465-F795 HydrophobicContact CB-CZ 4.2Å; I474-F795 HydrophobicContact CD1-CE2 4.01Å; I474-F795 HydrophobicContact CD1-CZ 4.07Å; V684-F795 HydrophobicContact CG2-CE2 4.3Å; W723-F795 VanDerWaalsContact CH2-CA 3.47Å; W723-F795 HydrophobicContact CH2-CB 3.89Å; W723-F795 AromaticContact CH2-CD2 3.94Å; W723-F795 HydrophobicContact CH2-CD2 3.94Å; W723-F795 HydrophobicContact CH2-CG 4.37Å; W723-F795 HydrophobicContact CZ2-CB 4.07Å; W723-F795 HydrophobicContact CZ3-CD2 4.04Å; I725-F795 HydrophobicContact CB-CD2 4.44Å; I725-F795 HydrophobicContact CD1-CD2 4.38Å; I725-F795 HydrophobicContact CD1-CE2 4.24Å; I725-F795 HydrophobicContact CG2-CD2 3.91Å; L791-F795 HydrophobicContact CB-CB 4.39Å; L791-F795 HydrophobicContact CD1-CD1 3.77Å; L791-F795 HydrophobicContact CD1-CE1 3.99Å; L791-F795 HydrophobicContact CD2-CD1 4.4Å; L791-F795 HydrophobicContact CD2-CG 4.47Å; L791-F795 HydrophobicContact CG-CD1 4.46Å; D792-F795 WeakPolarHBondContact O-CB 3.41Å; D792-F795 PolarHBondContact O-N 3.15Å; T793-F795 PolarHBondContact O-N 3.37Å; F795-M840 HydrophobicContact CD1-CE 4.47Å; F795-M840 HydrophobicContact CD2-CE 3.98Å; F795-M840 HydrophobicContact CE1-CE 4.21Å; F795-M840 HydrophobicContact CE2-CE 3.68Å; F795-M840 HydrophobicContact CG-CE 4.38Å; F795-M840 HydrophobicContact CZ-CE 3.81Å
796S95.8Very high95.2Very high3 Ų314.9 Ų14.92%0.0217%0.072CC..Hα-helixtrans-75.5-40.6175.759.20000112.3H389 H733 T793 G798 I799H389-S796 PolarHBondContact CE1-OG 3.48Å; H389-S796 VanDerWaalsContact CE1-OG 3.27Å; H733-S796 VanDerWaalsContact NE2-CB 3.31Å; H733-S796 WeakPolarHBondContact NE2-CB 3.46Å; H733-S796 PolarHBondContact NE2-OG 3.18Å; T793-S796 PolarHBondContact O-N 3.22Å; T793-S796 PolarHBondContact O-OG 3.19Å; T793-S796 VanDerWaalsContact O-OG 3.13Å; S796-G798 PolarHBondContact O-N 2.92Å; S796-I799 WeakPolarHBondContact O-CG1 3.46Å; S796-I799 PolarHBondContact O-N 3.12Å
797S94.3Very high95.2Very high1 Ų113.7 Ų13.71%0.0077%0.066CC..Hα-helixtrans-67.4-27.2175.9-58.40000112.1D388 T793 I799 F800 W833D388-S797 PolarHBondContact OD2-OG 2.86Å; T793-S797 PolarHBondContact O-N 3.31Å; T793-S797 PolarHBondContact O-OG 3.49Å; S797-I799 PolarHBondContact O-N 3.1Å; S797-F800 VanDerWaalsContact O-CB 3.23Å; S797-F800 WeakPolarHBondContact O-CB 3.44Å; S797-F800 PolarHBondContact O-N 3.38Å; S797-W833 PolarHBondContact O-NE1 3.13Å
798G95.7Very high95.3Very high0 Ų014.3 Ų14.30%07%0.071CC..THydrogen-bonded Turntrans-65.3-18.7174.400000114.5W794 S796 M837W794-G798 WeakPolarHBondContact O-CA 3.32Å; W794-G798 PolarHBondContact O-N 3.28Å; S796-G798 PolarHBondContact O-N 2.92Å; G798-M837 VanDerWaalsContact O-CA 3.23Å; G798-M837 WeakPolarHBondContact O-CA 3.49Å; G798-M837 WeakPolarHBondContact O-CG 3.24Å
799I97.4Very high95.4Very high0 Ų012.9 Ų12.90%07%0.067CC..THydrogen-bonded Turntrans-107.15.1175.964.8168.4000113.5A460 V461 A464 S796 S797 F802 S803 M840 L844A460-I799 HydrophobicContact CB-CD1 3.84Å; V461-I799 HydrophobicContact CB-CD1 4.39Å; V461-I799 HydrophobicContact CG2-CD1 3.76Å; V461-I799 HydrophobicContact CG2-CG1 4.4Å; A464-I799 HydrophobicContact CB-CD1 4.31Å; A464-I799 HydrophobicContact CB-CG2 4.47Å; S796-I799 WeakPolarHBondContact O-CG1 3.46Å; S796-I799 PolarHBondContact O-N 3.12Å; S797-I799 PolarHBondContact O-N 3.1Å; I799-F802 HydrophobicContact CB-CD2 4.46Å; I799-F802 HydrophobicContact CB-CE1 4.1Å; I799-F802 HydrophobicContact CB-CE2 3.66Å; I799-F802 HydrophobicContact CB-CZ 3.45Å; I799-F802 VanDerWaalsContact CB-CZ 3.45Å; I799-F802 HydrophobicContact CG2-CE1 4.39Å; I799-F802 HydrophobicContact CG2-CE2 3.98Å; I799-F802 HydrophobicContact CG2-CZ 3.52Å; I799-F802 PolarHBondContact O-N 2.7Å; I799-S803 WeakPolarHBondContact O-CB 3.33Å; I799-S803 PolarHBondContact O-N 2.84Å; I799-S803 PolarHBondContact O-OG 3.19Å; I799-M840 HydrophobicContact CG2-CB 4.04Å; I799-M840 HydrophobicContact CG2-CE 3.34Å; I799-M840 HydrophobicContact CG2-CG 4.5Å; I799-M840 HydrophobicContact CG2-SD 3.72Å; I799-L844 HydrophobicContact CG2-CD1 3.83Å
800F97.4Very high95.2Very high0 Ų018.9 Ų18.90%09%0.094CC..Hα-helixtrans-50.2-43.5-175.3-164.3-105.9000114.5C346 P349 T452 L457 S797 F802 S803 I804 W833C346-F800 HydrophobicContact CB-CD1 4.17Å; C346-F800 HydrophobicContact CB-CE1 3.99Å; P349-F800 HydrophobicContact CB-CE1 4.39Å; P349-F800 HydrophobicContact CB-CE2 4.15Å; P349-F800 HydrophobicContact CB-CZ 3.93Å; P349-F800 HydrophobicContact CG-CD1 4.41Å; P349-F800 HydrophobicContact CG-CD2 4.32Å; P349-F800 HydrophobicContact CG-CE1 4.23Å; P349-F800 HydrophobicContact CG-CE2 4.15Å; P349-F800 HydrophobicContact CG-CG 4.45Å; P349-F800 HydrophobicContact CG-CZ 4.1Å; T452-F800 HydrophobicContact CG2-CD2 4.3Å; T452-F800 HydrophobicContact CG2-CE2 4.38Å; L457-F800 HydrophobicContact CD2-CD2 4.32Å; L457-F800 HydrophobicContact CD2-CE2 4.26Å; S797-F800 VanDerWaalsContact O-CB 3.23Å; S797-F800 WeakPolarHBondContact O-CB 3.44Å; S797-F800 PolarHBondContact O-N 3.38Å; F800-F802 PolarHBondContact O-N 2.94Å; F800-S803 WeakPolarHBondContact CA-OG 3.16Å; F800-S803 PolarHBondContact O-N 2.66Å; F800-I804 HydrophobicContact CD1-CG2 4.07Å; F800-I804 HydrophobicContact CD2-CG2 3.74Å; F800-I804 HydrophobicContact CE1-CG2 3.87Å; F800-I804 HydrophobicContact CE2-CG2 3.5Å; F800-I804 HydrophobicContact CG-CG2 4.02Å; F800-I804 HydrophobicContact CZ-CG2 3.57Å; F800-I804 WeakPolarHBondContact O-CG1 3.29Å; F800-I804 VanDerWaalsContact O-CG2 3.29Å; F800-I804 WeakPolarHBondContact O-CG2 3.43Å; F800-I804 PolarHBondContact O-N 3.36Å; F800-W833 HydrophobicContact CB-CZ2 4.45Å; F800-W833 HydrophobicContact CD1-CZ2 4.13Å
801P96.8Very high95.2Very high2 Ų220.6 Ų20.61%0.01311%0.106CC..Hα-helixtrans-60.2-18.6-175.5-2737.1000115.7Y818 M837 P849 F850P801-Y818 HydrophobicContact CB-CE2 4.39Å; P801-M837 VanDerWaalsContact CD-SD 3.52Å; P801-M837 HydrophobicContact CG-CB 4.23Å; P801-M837 HydrophobicContact CG-CG 3.89Å; P801-M837 HydrophobicContact CG-SD 3.27Å; P801-M837 WeakPolarHBondContact CG-SD 3.3Å; P801-P849 HydrophobicContact CB-CB 3.96Å; P801-P849 HydrophobicContact CG-CB 3.92Å; P801-F850 HydrophobicContact CG-CE1 4.48Å
802F96.9Very high95.1Very high0 Ų025.2 Ų25.20%013%0.128CC..Hα-helixtrans-125-24.5179.352.8-89.3000113.3I799 F800 I804 F805 W807 L814 Y818 L844 T845I799-F802 HydrophobicContact CB-CD2 4.46Å; I799-F802 HydrophobicContact CB-CE1 4.1Å; I799-F802 HydrophobicContact CB-CE2 3.66Å; I799-F802 HydrophobicContact CB-CZ 3.45Å; I799-F802 VanDerWaalsContact CB-CZ 3.45Å; I799-F802 HydrophobicContact CG2-CE1 4.39Å; I799-F802 HydrophobicContact CG2-CE2 3.98Å; I799-F802 HydrophobicContact CG2-CZ 3.52Å; I799-F802 PolarHBondContact O-N 2.7Å; F800-F802 PolarHBondContact O-N 2.94Å; F802-I804 VanDerWaalsContact C-N 3.28Å; F802-I804 PolarHBondContact O-N 3.36Å; F802-F805 PolarHBondContact O-N 3.43Å; F802-W807 HydrophobicContact CB-CB 4.29Å; F802-W807 HydrophobicContact CD2-CB 3.75Å; F802-W807 AromaticContact CD2-CD2 3.6Å; F802-W807 HydrophobicContact CD2-CD2 3.6Å; F802-W807 AromaticContact CD2-CE3 3.86Å; F802-W807 HydrophobicContact CD2-CE3 3.86Å; F802-W807 AromaticContact CD2-CG 3.53Å; F802-W807 HydrophobicContact CD2-CG 3.53Å; F802-W807 AromaticContact CE2-CD2 3.69Å; F802-W807 HydrophobicContact CE2-CD2 3.69Å; F802-W807 AromaticContact CE2-CE3 3.66Å; F802-W807 HydrophobicContact CE2-CE3 3.66Å; F802-W807 HydrophobicContact CE2-CG 4.13Å; F802-W807 HydrophobicContact CE2-CZ3 4.1Å; F802-W807 WeakPolarHBondContact O-CB 3.34Å; F802-W807 PolarHBondContact O-N 3.05Å; F802-L814 HydrophobicContact CB-CD1 3.98Å; F802-Y818 HydrophobicContact CB-CD2 3.91Å; F802-Y818 HydrophobicContact CB-CE2 3.83Å; F802-Y818 HydrophobicContact CB-CG 4.31Å; F802-Y818 AromaticContact CD1-CE2 3.88Å; F802-Y818 HydrophobicContact CD1-CE2 3.88Å; F802-Y818 HydrophobicContact CG-CE2 4.29Å; F802-L844 HydrophobicContact CE2-CD1 4.3Å; F802-L844 HydrophobicContact CZ-CB 4.39Å; F802-L844 HydrophobicContact CZ-CD1 4.06Å; F802-T845 HydrophobicContact CD1-CG2 4.31Å; F802-T845 HydrophobicContact CD2-CG2 4.14Å; F802-T845 HydrophobicContact CE1-CG2 4.37Å; F802-T845 HydrophobicContact CE2-CG2 4.18Å; F802-T845 HydrophobicContact CG-CG2 4.18Å; F802-T845 HydrophobicContact CZ-CG2 4.28Å
803S97.3Very high95.3Very high2 Ų226.3 Ų26.31%0.01413%0.134CC..Hα-helixtrans-65.7-31.6174.1710000112.3I799 F800 F805 G806I799-S803 WeakPolarHBondContact O-CB 3.33Å; I799-S803 PolarHBondContact O-N 2.84Å; I799-S803 PolarHBondContact O-OG 3.19Å; F800-S803 WeakPolarHBondContact CA-OG 3.16Å; F800-S803 PolarHBondContact O-N 2.66Å; S803-F805 PolarHBondContact O-N 3.49Å; S803-F805 VanDerWaalsContact O-N 3.14Å; S803-G806 PolarHBondContact O-N 3.06Å
804I96.4Very high95.5Very high5 Ų526.3 Ų26.33%0.02613%0.133CC..THydrogen-bonded Turntrans-60-23.1175.762.1180000112.9M344 C346 N384 C450 K456 L457 F800 F802M344-I804 HydrophobicContact CE-CD1 4.36Å; C346-I804 HydrophobicContact CB-CD1 4.02Å; N384-I804 HydrophobicContact CB-CD1 4Å; C450-I804 WeakPolarHBondContact SG-CG2 3.4Å; K456-I804 WeakPolarHBondContact CE-O 3.39Å; K456-I804 PolarHBondContact NZ-O 3.29Å; L457-I804 HydrophobicContact CD2-CG2 4.32Å; F800-I804 HydrophobicContact CD1-CG2 4.07Å; F800-I804 HydrophobicContact CD2-CG2 3.74Å; F800-I804 HydrophobicContact CE1-CG2 3.87Å; F800-I804 HydrophobicContact CE2-CG2 3.5Å; F800-I804 HydrophobicContact CG-CG2 4.02Å; F800-I804 HydrophobicContact CZ-CG2 3.57Å; F800-I804 WeakPolarHBondContact O-CG1 3.29Å; F800-I804 VanDerWaalsContact O-CG2 3.29Å; F800-I804 WeakPolarHBondContact O-CG2 3.43Å; F800-I804 PolarHBondContact O-N 3.36Å; F802-I804 VanDerWaalsContact C-N 3.28Å; F802-I804 PolarHBondContact O-N 3.36Å
805F95.9Very high95.6Very high6 Ų628 Ų283%0.02615%0.147CC..THydrogen-bonded Turntrans-98.53.6177.9-55.3-49.5000114M344 L382 F802 S803 S811 D813 L814 F817M344-F805 HydrophobicContact CE-CE2 3.4Å; M344-F805 VanDerWaalsContact CE-CE2 3.4Å; M344-F805 HydrophobicContact CE-CZ 3.5Å; M344-F805 VanDerWaalsContact CE-CZ 3.5Å; M344-F805 HydrophobicContact CG-CZ 4.49Å; L382-F805 HydrophobicContact CD2-CE1 3.91Å; L382-F805 HydrophobicContact CD2-CZ 4.06Å; F802-F805 PolarHBondContact O-N 3.43Å; S803-F805 PolarHBondContact O-N 3.49Å; S803-F805 VanDerWaalsContact O-N 3.14Å; F805-S811 WeakPolarHBondContact O-CB 3.26Å; F805-S811 PolarHBondContact O-OG 3.11Å; F805-D813 HydrophobicContact CB-CB 4.25Å; F805-D813 HydrophobicContact CD1-CB 3.52Å; F805-D813 HydrophobicContact CE1-CB 4.12Å; F805-D813 HydrophobicContact CG-CB 4.08Å; F805-L814 HydrophobicContact CB-CB 3.77Å; F805-L814 HydrophobicContact CB-CD1 4.11Å; F805-L814 HydrophobicContact CD2-CD1 4.27Å; F805-F817 HydrophobicContact CE1-CB 4.27Å; F805-F817 HydrophobicContact CE1-CD2 4.49Å; F805-F817 HydrophobicContact CE2-CB 3.9Å; F805-F817 HydrophobicContact CZ-CB 3.61Å; F805-F817 HydrophobicContact CZ-CG 4.44Å
806G94.1Very high95.6Very high8 Ų829.3 Ų29.38%0.08216%0.155CC..THydrogen-bonded Turntrans90.415.6175.100000115.9S803 N809S803-G806 PolarHBondContact O-N 3.06Å; G806-N809 WeakPolarHBondContact O-CB 3.36Å; G806-N809 PolarHBondContact O-N 3.13Å
807W97.2Very high95.6Very high16 Ų1629.2 Ų29.26%0.06115%0.154CC..THydrogen-bonded Turntrans-49.4138.1167.4179.992.1000110.2A460 E463 A464 F802 L814 L844A460-W807 WeakPolarHBondContact CA-O 3.41Å; A460-W807 HydrophobicContact CB-CE3 4.06Å; A460-W807 WeakPolarHBondContact CB-O 3.37Å; A460-W807 WeakPolarHBondContact O-CZ3 3.45Å; E463-W807 HydrophobicContact CB-CH2 4.38Å; E463-W807 HydrophobicContact CB-CZ3 4.21Å; E463-W807 HydrophobicContact CG-CH2 4.03Å; E463-W807 HydrophobicContact CG-CZ3 4.31Å; A464-W807 HydrophobicContact CB-CH2 4.19Å; A464-W807 HydrophobicContact CB-CZ3 4.02Å; F802-W807 HydrophobicContact CB-CB 4.29Å; F802-W807 HydrophobicContact CD2-CB 3.75Å; F802-W807 AromaticContact CD2-CD2 3.6Å; F802-W807 HydrophobicContact CD2-CD2 3.6Å; F802-W807 AromaticContact CD2-CE3 3.86Å; F802-W807 HydrophobicContact CD2-CE3 3.86Å; F802-W807 AromaticContact CD2-CG 3.53Å; F802-W807 HydrophobicContact CD2-CG 3.53Å; F802-W807 AromaticContact CE2-CD2 3.69Å; F802-W807 HydrophobicContact CE2-CD2 3.69Å; F802-W807 AromaticContact CE2-CE3 3.66Å; F802-W807 HydrophobicContact CE2-CE3 3.66Å; F802-W807 HydrophobicContact CE2-CG 4.13Å; F802-W807 HydrophobicContact CE2-CZ3 4.1Å; F802-W807 WeakPolarHBondContact O-CB 3.34Å; F802-W807 PolarHBondContact O-N 3.05Å; W807-L814 HydrophobicContact CB-CD2 4.29Å; W807-L844 HydrophobicContact CH2-CB 4.07Å; W807-L844 HydrophobicContact CH2-CD1 3.97Å; W807-L844 HydrophobicContact CH2-CD2 3.99Å; W807-L844 HydrophobicContact CH2-CG 4.24Å; W807-L844 HydrophobicContact CZ2-CB 3.81Å; W807-L844 HydrophobicContact CZ2-CD2 4.33Å; W807-L844 HydrophobicContact CZ2-CG 4.45Å; W807-L844 HydrophobicContact CZ3-CD1 4.38Å
808P95.5Very high95.7Very high22 Ų2230 Ų3014%0.14316%0.157CC..THydrogen-bonded Turncis-82.3-3.412.237.1-43.3000116Y459 E463Y459-P808 HydrophobicContact CD1-CG 4.32Å; Y459-P808 HydrophobicContact CE1-CG 3.64Å; E463-P808 HydrophobicContact CB-CG 3.99Å; E463-P808 HydrophobicContact CG-CB 3.9Å; E463-P808 HydrophobicContact CG-CG 3.64Å
809N94.8Very high95.8Very high91 Ų9132.4 Ų32.449%0.48717%0.173SC..SBendtrans-73.2138.5-179-60.6-32.3000109.9G806 S811G806-N809 WeakPolarHBondContact O-CB 3.36Å; G806-N809 PolarHBondContact O-N 3.13Å; N809-S811 PolarHBondContact O-N 3.06Å
810E91.2Very high95.7Very high144 Ų14432.5 Ų32.567%0.67317%0.174SC*.  trans-65.3129.7171.3-72.1-62.3154.800109.8N815E810-N815 PolarHBondContact OE2-ND2 3.42Å; E810-N815 PolarHBondContact OE2-OD1 2.8Å
811S94.1Very high95.8Very high37 Ų3733.9 Ų33.926%0.25918%0.183SC..  trans-138.1157.9176.378.80000110.6F805 N809 D813 L814 N815F805-S811 WeakPolarHBondContact O-CB 3.26Å; F805-S811 PolarHBondContact O-OG 3.11Å; N809-S811 PolarHBondContact O-N 3.06Å; S811-D813 VanDerWaalsContact C-N 3.31Å; S811-D813 PolarHBondContact O-N 2.94Å; S811-L814 PolarHBondContact O-N 2.71Å; S811-L814 VanDerWaalsContact OG-CB 3.28Å; S811-L814 WeakPolarHBondContact OG-CB 3.48Å; S811-L814 PolarHBondContact OG-N 2.79Å; S811-N815 PolarHBondContact O-N 3Å; S811-N815 VanDerWaalsContact O-N 3.11Å; S811-N815 PolarHBondContact O-ND2 2.99Å
812Q94.1Very high95.8Very high101 Ų10134 Ų3447%0.47218%0.184SC..Hα-helixtrans-59.8-45.1176.6-171.8-179.813.800110.9I334 S335 L814 N815 V816I334-Q812 HydrophobicContact CD1-CG 4Å; I334-Q812 HydrophobicContact CG1-CG 4.17Å; S335-Q812 WeakPolarHBondContact OG-CG 3.28Å; S335-Q812 PolarHBondContact OG-NE2 2.88Å; Q812-L814 PolarHBondContact O-N 3.24Å; Q812-N815 PolarHBondContact O-N 2.71Å; Q812-V816 HydrophobicContact CG-CG2 4.47Å; Q812-V816 WeakPolarHBondContact O-CG2 3.2Å; Q812-V816 PolarHBondContact O-N 3.33Å
813D95.2Very high95.9Very high34 Ų3434 Ų3418%0.18218%0.184CC..Hα-helixtrans-62.6-43.2178.9-77.3-7.1000111.6I334 R448 F805 S811 N815 V816 F817I334-D813 VanDerWaalsContact CD1-OD1 3.3Å; I334-D813 WeakPolarHBondContact CD1-OD1 3.15Å; R448-D813 IonicContact CZ-OD1 2.75Å; R448-D813 IonicContact CZ-OD2 3.63Å; R448-D813 IonicContact NE-OD1 2.91Å; R448-D813 IonicContact NE-OD2 2.76Å; R448-D813 PolarHBondContact NE-OD2 3.29Å; R448-D813 IonicContact NH2-OD1 3.26Å; R448-D813 PolarHBondContact NH2-OD1 3.27Å; R448-D813 IonicContact NH2-OD2 2.79Å; F805-D813 HydrophobicContact CB-CB 4.25Å; F805-D813 HydrophobicContact CD1-CB 3.52Å; F805-D813 HydrophobicContact CE1-CB 4.12Å; F805-D813 HydrophobicContact CG-CB 4.08Å; S811-D813 VanDerWaalsContact C-N 3.31Å; S811-D813 PolarHBondContact O-N 2.94Å; D813-N815 VanDerWaalsContact C-N 3.29Å; D813-N815 PolarHBondContact O-N 2.68Å; D813-V816 PolarHBondContact O-N 3.05Å; D813-F817 HydrophobicContact CB-CD2 4.14Å; D813-F817 VanDerWaalsContact O-CB 3.31Å; D813-F817 WeakPolarHBondContact O-CB 3.41Å; D813-F817 PolarHBondContact O-N 3.26Å
814L96.4Very high95.9Very high14 Ų1433.9 Ų33.97%0.07318%0.183CC..Hα-helixtrans-60.1-42.1177.9-176.765.6000110.9F802 F805 W807 S811 Q812 Y818F802-L814 HydrophobicContact CB-CD1 3.98Å; F805-L814 HydrophobicContact CB-CB 3.77Å; F805-L814 HydrophobicContact CB-CD1 4.11Å; F805-L814 HydrophobicContact CD2-CD1 4.27Å; W807-L814 HydrophobicContact CB-CD2 4.29Å; S811-L814 PolarHBondContact O-N 2.71Å; S811-L814 VanDerWaalsContact OG-CB 3.28Å; S811-L814 WeakPolarHBondContact OG-CB 3.48Å; S811-L814 PolarHBondContact OG-N 2.79Å; Q812-L814 PolarHBondContact O-N 3.24Å; L814-Y818 HydrophobicContact CD1-CD1 4.23Å; L814-Y818 HydrophobicContact CD1-CG 4.07Å; L814-Y818 VanDerWaalsContact O-CB 3.23Å; L814-Y818 WeakPolarHBondContact O-CB 3.41Å; L814-Y818 PolarHBondContact O-N 2.94Å; L814-Y818 VanDerWaalsContact O-N 3.15Å
815N94.9Very high95.9Very high102 Ų10233.9 Ų33.955%0.54518%0.183SC..Hα-helixtrans-71.5-32.6-178.7-78.6-61.3000113.7E810 S811 Q812 D813E810-N815 PolarHBondContact OE2-ND2 3.42Å; E810-N815 PolarHBondContact OE2-OD1 2.8Å; S811-N815 PolarHBondContact O-N 3Å; S811-N815 VanDerWaalsContact O-N 3.11Å; S811-N815 PolarHBondContact O-ND2 2.99Å; Q812-N815 PolarHBondContact O-N 2.71Å; D813-N815 VanDerWaalsContact C-N 3.29Å; D813-N815 PolarHBondContact O-N 2.68Å
816V95.6Very high95.7Very high27 Ų2733.8 Ų33.816%0.16418%0.184CC..Hα-helixtrans-85.7-40.7-178.4174.40000111.8I342 Q812 D813I342-V816 HydrophobicContact CD1-CG1 4.04Å; Q812-V816 HydrophobicContact CG-CG2 4.47Å; Q812-V816 WeakPolarHBondContact O-CG2 3.2Å; Q812-V816 PolarHBondContact O-N 3.33Å; D813-V816 PolarHBondContact O-N 3.05Å
817F96.8Very high95.5Very high2 Ų234.6 Ų34.61%0.00919%0.185CC..Hα-helixtrans-108-8.6-165.5-64.5-61.1000114.5P327 I334 I342 M344 T380 L382 F805 D813 P819P327-F817 HydrophobicContact CB-CE1 4.29Å; P327-F817 HydrophobicContact CB-CZ 3.74Å; P327-F817 HydrophobicContact CG-CE2 4.36Å; P327-F817 HydrophobicContact CG-CZ 3.77Å; I334-F817 HydrophobicContact CB-CZ 4.48Å; I334-F817 HydrophobicContact CD1-CE2 3.93Å; I342-F817 HydrophobicContact CG2-CD1 3.94Å; I342-F817 HydrophobicContact CG2-CE1 4.14Å; M344-F817 HydrophobicContact CB-CB 4.44Å; M344-F817 HydrophobicContact CB-CD1 4.27Å; M344-F817 HydrophobicContact CG-CB 3.88Å; M344-F817 HydrophobicContact CG-CD1 4.37Å; M344-F817 HydrophobicContact CG-CG 4.48Å; M344-F817 WeakPolarHBondContact CG-O 3.49Å; T380-F817 HydrophobicContact CG2-CE1 4.24Å; T380-F817 HydrophobicContact CG2-CZ 4.46Å; L382-F817 HydrophobicContact CB-CD1 3.99Å; L382-F817 HydrophobicContact CB-CE1 3.73Å; L382-F817 HydrophobicContact CB-CZ 4.09Å; L382-F817 HydrophobicContact CD2-CB 4.29Å; L382-F817 HydrophobicContact CD2-CD1 3.97Å; L382-F817 HydrophobicContact CD2-CD2 3.56Å; L382-F817 HydrophobicContact CD2-CE1 4.15Å; L382-F817 HydrophobicContact CD2-CE2 3.77Å; L382-F817 HydrophobicContact CD2-CG 3.68Å; L382-F817 HydrophobicContact CD2-CZ 4.07Å; F805-F817 HydrophobicContact CE1-CB 4.27Å; F805-F817 HydrophobicContact CE1-CD2 4.49Å; F805-F817 HydrophobicContact CE2-CB 3.9Å; F805-F817 HydrophobicContact CZ-CB 3.61Å; F805-F817 HydrophobicContact CZ-CG 4.44Å; D813-F817 HydrophobicContact CB-CD2 4.14Å; D813-F817 VanDerWaalsContact O-CB 3.31Å; D813-F817 WeakPolarHBondContact O-CB 3.41Å; D813-F817 PolarHBondContact O-N 3.26Å; F817-P819 CarbonylContact O-C 3.52Å
818Y96.8Very high95Very high16 Ų1636.6 Ų36.66%0.06320%0.197CC..  trans-110125.6174.4-173.7-102.4000111.9P801 F802 L814 T845 K847 P849P801-Y818 HydrophobicContact CB-CE2 4.39Å; F802-Y818 HydrophobicContact CB-CD2 3.91Å; F802-Y818 HydrophobicContact CB-CE2 3.83Å; F802-Y818 HydrophobicContact CB-CG 4.31Å; F802-Y818 AromaticContact CD1-CE2 3.88Å; F802-Y818 HydrophobicContact CD1-CE2 3.88Å; F802-Y818 HydrophobicContact CG-CE2 4.29Å; L814-Y818 HydrophobicContact CD1-CD1 4.23Å; L814-Y818 HydrophobicContact CD1-CG 4.07Å; L814-Y818 VanDerWaalsContact O-CB 3.23Å; L814-Y818 WeakPolarHBondContact O-CB 3.41Å; L814-Y818 PolarHBondContact O-N 2.94Å; L814-Y818 VanDerWaalsContact O-N 3.15Å; Y818-T845 HydrophobicContact CE1-CG2 4.04Å; Y818-T845 PolarHBondContact OH-OG1 3.04Å; Y818-K847 HydrophobicContact CD1-CD 4.34Å; Y818-K847 HydrophobicContact CE1-CB 3.9Å; Y818-K847 HydrophobicContact CE1-CD 4.11Å; Y818-K847 PolarHBondContact OH-O 2.91Å; Y818-P849 HydrophobicContact CE2-CB 4.44Å
819P96.7Very high94.8Very high52 Ų5237.1 Ų37.134%0.33820%0.199SC..SBendcis-76.6151.77.534.4-39.4000113.9F817 L848F817-P819 CarbonylContact O-C 3.52Å; P819-L848 WeakPolarHBondContact CB-O 3.31Å
820G96.6Very high94.8Very high2 Ų233 Ų332%0.02118%0.176CC..EExtended strand (participates in β ladder)trans-63.4160.9176.600000113P849 F850 K851G820-P849 PolarHBondContact N-O 2.96Å; G820-F850 VanDerWaalsContact O-CA 3.27Å; G820-F850 WeakPolarHBondContact O-CA 3.32Å; G820-K851 PolarHBondContact O-N 3.19Å
821S97.8Very high94.7Very high28 Ų2827.4 Ų27.420%0.19615%0.15CC..EExtended strand (participates in β ladder)trans-82.1-52.6178.2-53.70000111.2I342 F343 M344 K851 E852I342-S821 PolarHBondContact O-OG 3.19Å; F343-S821 WeakPolarHBondContact CA-OG 3.21Å; M344-S821 PolarHBondContact N-OG 2.93Å; M344-S821 WeakPolarHBondContact O-CB 3.29Å; M344-S821 PolarHBondContact O-N 3.34Å; S821-K851 PolarHBondContact O-N 3.38Å; S821-E852 PolarHBondContact O-N 3.11Å
822L98.1Very high94.1Very high5 Ų528.3 Ų28.33%0.02615%0.149CC..EExtended strand (participates in β ladder)trans-136.8138.9-175.5175.465.8000109.7F343 M344 M345 L370 E824 E852 Y1009F343-L822 HydrophobicContact CE2-CB 4.03Å; F343-L822 HydrophobicContact CE2-CD2 4.28Å; F343-L822 HydrophobicContact CZ-CB 4.36Å; F343-L822 HydrophobicContact CZ-CD2 4.25Å; M344-L822 PolarHBondContact O-N 3.05Å; M345-L822 WeakPolarHBondContact CG-O 3.17Å; M345-L822 HydrophobicContact SD-CD2 4.29Å; M345-L822 HydrophobicContact SD-CG 4.46Å; L370-L822 HydrophobicContact CD1-CD2 3.66Å; L822-E824 HydrophobicContact CD2-CB 4.45Å; L822-E852 WeakPolarHBondContact CA-O 3.43Å; L822-E852 HydrophobicContact CD1-CB 4.04Å; L822-Y1009 HydrophobicContact CD1-CE1 4.44Å; L822-Y1009 HydrophobicContact CD2-CE1 3.88Å
823L98.1Very high94.1Very high0 Ų023.8 Ų23.80%013%0.128CC..EExtended strand (participates in β ladder)trans-106.8121.2156.9-177.777000109.3W833 V834 M837 F850 E852 V853 Y854L823-W833 HydrophobicContact CD1-CH2 3.77Å; L823-W833 HydrophobicContact CD1-CZ3 3.76Å; L823-W833 HydrophobicContact CD2-CZ3 4.45Å; L823-V834 HydrophobicContact CD2-CB 4.25Å; L823-V834 HydrophobicContact CD2-CG1 4.07Å; L823-V834 HydrophobicContact CD2-CG2 3.59Å; L823-M837 HydrophobicContact CD1-CE 4.06Å; L823-M837 HydrophobicContact CD2-CE 3.3Å; L823-M837 HydrophobicContact CG-CE 4.33Å; L823-F850 HydrophobicContact CB-CB 4.37Å; L823-F850 HydrophobicContact CB-CD1 3.62Å; L823-F850 HydrophobicContact CB-CD2 4.02Å; L823-F850 HydrophobicContact CB-CE1 3.88Å; L823-F850 HydrophobicContact CB-CE2 4.27Å; L823-F850 HydrophobicContact CB-CG 3.7Å; L823-F850 HydrophobicContact CB-CZ 4.2Å; L823-F850 HydrophobicContact CD1-CD1 4.5Å; L823-F850 HydrophobicContact CD1-CE1 4.41Å; L823-F850 HydrophobicContact CD2-CD1 4.22Å; L823-F850 HydrophobicContact CD2-CE1 3.58Å; L823-F850 HydrophobicContact CD2-CE2 4.26Å; L823-F850 HydrophobicContact CD2-CZ 3.61Å; L823-F850 HydrophobicContact CG-CD1 4.33Å; L823-F850 HydrophobicContact CG-CE1 4.16Å; L823-F850 HydrophobicContact CG-CZ 4.5Å; L823-E852 PolarHBondContact N-O 3.46Å; L823-V853 CarbonylContact O-C 3.55Å; L823-V853 VanDerWaalsContact O-CA 3.26Å; L823-V853 WeakPolarHBondContact O-CA 3.38Å; L823-Y854 PolarHBondContact O-N 3.47Å
824E97.1Very high94.2Very high0 Ų022.1 Ų22.10%012%0.119CC..EExtended strand (participates in β ladder)trans-107.9133.3171.4-172.8-87.3-174.200109.8M345 P348 T363 I366 Q367 L822 Y854 H856M345-E824 HydrophobicContact SD-CB 3.81Å; P348-E824 WeakPolarHBondContact CG-O 3.43Å; T363-E824 WeakPolarHBondContact CG2-OE2 3.38Å; I366-E824 WeakPolarHBondContact CB-OE1 3.48Å; I366-E824 HydrophobicContact CG2-CG 3.76Å; I366-E824 WeakPolarHBondContact CG2-OE1 3.11Å; Q367-E824 VanDerWaalsContact CD-OE2 3.31Å; Q367-E824 HydrophobicContact CG-CB 3.99Å; Q367-E824 HydrophobicContact CG-CG 4.17Å; Q367-E824 WeakPolarHBondContact CG-OE2 3.39Å; Q367-E824 PolarHBondContact NE2-O 3.27Å; Q367-E824 PolarHBondContact NE2-OE2 3.42Å; L822-E824 HydrophobicContact CD2-CB 4.45Å; E824-Y854 WeakPolarHBondContact CA-O 3.4Å; E824-Y854 HydrophobicContact CG-CD1 3.63Å; E824-Y854 HydrophobicContact CG-CE1 4.43Å; E824-H856 VanDerWaalsContact CD-ND1 3.3Å; E824-H856 IonicContact OE1-CE1 2.72Å; E824-H856 PolarHBondContact OE1-CE1 2.89Å; E824-H856 IonicContact OE1-CG 3.68Å; E824-H856 IonicContact OE1-ND1 3.61Å; E824-H856 PolarHBondContact OE1-ND1 3.06Å; E824-H856 IonicContact OE2-CE1 3.53Å; E824-H856 IonicContact OE2-ND1 3.99Å
825T96.2Very high94.2Very high4 Ų421.5 Ų21.53%0.02512%0.116CC..EExtended strand (participates in β ladder)trans-163172.6175.1-163.80000113I829 V834 Y854 L855 H856T825-I829 HydrophobicContact CG2-CD1 4.47Å; T825-I829 HydrophobicContact CG2-CG1 3.99Å; T825-I829 WeakPolarHBondContact OG1-CD1 2.98Å; T825-I829 WeakPolarHBondContact OG1-CG1 3.26Å; T825-V834 HydrophobicContact CG2-CG2 3.81Å; T825-Y854 PolarHBondContact N-O 2.79Å; T825-L855 HydrophobicContact CG2-CD2 3.76Å; T825-L855 CarbonylContact O-C 3.51Å; T825-L855 VanDerWaalsContact O-CA 3.25Å; T825-L855 WeakPolarHBondContact O-CA 3.34Å; T825-H856 PolarHBondContact O-N 3.26Å; T825-H856 PolarHBondContact O-ND1 2.68Å
826G92.6Very high94.2Very high4 Ų417.9 Ų17.94%0.04110%0.095CC..EExtended strand (participates in β ladder)trans-71.6143.8171.800000111.5D828 I829 H856G826-D828 PolarHBondContact O-N 2.85Å; G826-I829 PolarHBondContact O-N 3.33Å; G826-H856 PolarHBondContact N-CE1 3.47Å; G826-H856 VanDerWaalsContact N-CE1 3.29Å; G826-H856 PolarHBondContact N-NE2 3.24Å
827H90.7Very high94.3Very high25 Ų2516.6 Ų16.612%0.1169%0.087CC..G310 helixtrans-62.1-14.1179.372.2-92.4000114I829 L855 H856 R938H827-I829 VanDerWaalsContact C-N 3.27Å; H827-I829 PolarHBondContact O-N 2.69Å; H827-L855 HydrophobicContact CB-CB 4.14Å; H827-H856 PolarHBondContact N-O 3.46Å; H827-H856 VanDerWaalsContact N-O 3.16Å; H827-H856 PolarHBondContact ND1-O 2.98Å; H827-R938 VanDerWaalsContact CE1-CG 3.44Å; H827-R938 WeakPolarHBondContact CE1-CG 3.46Å; H827-R938 PolarHBondContact CE1-O 2.98Å; H827-R938 VanDerWaalsContact CE1-O 3.22Å; H827-R938 PolarHBondContact NE2-NE 2.74Å
828D86.3Confident94.4Very high59 Ų5916.5 Ų16.532%0.3169%0.086SC..G310 helixtrans-71.7-17.7179.666.9-36.3000113.6G826 F832 V858 K866G826-D828 PolarHBondContact O-N 2.85Å; D828-F832 WeakPolarHBondContact O-CE2 3.4Å; D828-F832 VanDerWaalsContact O-CZ 3.3Å; D828-F832 WeakPolarHBondContact O-CZ 3.44Å; D828-V858 HydrophobicContact CB-CG2 4.09Å; D828-K866 IonicContact OD2-NZ 2.95Å; D828-K866 PolarHBondContact OD2-NZ 3.14Å; D828-K866 VanDerWaalsContact OD2-NZ 3.11Å
829I90.8Very high94.4Very high33 Ų3315.9 Ų15.917%0.1698%0.084CC..G310 helixtrans-111.416.1177.169.3174.5000114.6T825 G826 H827 F831 F832 W833 V834T825-I829 HydrophobicContact CG2-CD1 4.47Å; T825-I829 HydrophobicContact CG2-CG1 3.99Å; T825-I829 WeakPolarHBondContact OG1-CD1 2.98Å; T825-I829 WeakPolarHBondContact OG1-CG1 3.26Å; G826-I829 PolarHBondContact O-N 3.33Å; H827-I829 VanDerWaalsContact C-N 3.27Å; H827-I829 PolarHBondContact O-N 2.69Å; I829-F831 VanDerWaalsContact C-N 3.26Å; I829-F831 PolarHBondContact O-N 2.92Å; I829-F832 HydrophobicContact CB-CD2 4.29Å; I829-F832 HydrophobicContact CG2-CD2 4.06Å; I829-F832 PolarHBondContact O-N 2.8Å; I829-W833 HydrophobicContact CB-CB 4.37Å; I829-W833 HydrophobicContact CD1-CB 4.2Å; I829-W833 HydrophobicContact CD1-CD2 4.31Å; I829-W833 HydrophobicContact CD1-CE3 3.62Å; I829-W833 HydrophobicContact CD1-CZ3 4.43Å; I829-W833 HydrophobicContact CG1-CB 4.39Å; I829-W833 HydrophobicContact CG1-CE3 4.45Å; I829-W833 PolarHBondContact O-N 2.99Å; I829-V834 PolarHBondContact O-N 2.68Å
830L94Very high94.5Very high3 Ų313.4 Ų13.42%0.0167%0.068CC..Iπ-helixtrans-50.5-44176.3178.356.1000112.5H709 W713 V834 A835 L855H709-L830 HydrophobicContact CB-CD2 4.31Å; W713-L830 HydrophobicContact CE3-CD1 3.73Å; W713-L830 HydrophobicContact CE3-CG 4.11Å; W713-L830 HydrophobicContact CZ3-CD1 3.75Å; W713-L830 HydrophobicContact CZ3-CG 4.39Å; L830-V834 HydrophobicContact CD1-CB 4.03Å; L830-V834 HydrophobicContact CD1-CG1 4.17Å; L830-V834 HydrophobicContact CD1-CG2 4.36Å; L830-V834 VanDerWaalsContact O-CB 3.3Å; L830-V834 WeakPolarHBondContact O-CB 3.44Å; L830-V834 PolarHBondContact O-N 3.43Å; L830-A835 PolarHBondContact O-N 2.78Å; L830-L855 HydrophobicContact CB-CD1 4.49Å; L830-L855 HydrophobicContact CD1-CD1 3.84Å; L830-L855 HydrophobicContact CD1-CD2 4.33Å; L830-L855 HydrophobicContact CD2-CD1 3.89Å; L830-L855 HydrophobicContact CG-CD1 4.28Å
831F90.1Very high94.6Very high28 Ų2813.3 Ų13.312%0.1237%0.067CC..Iπ-helixtrans-91.8-25.2-177.4-60.8-61.5000114T712 W713 W716 M717 I829T712-F831 HydrophobicContact CG2-CE2 3.6Å; T712-F831 HydrophobicContact CG2-CZ 3.55Å; T712-F831 WeakPolarHBondContact O-CZ 3.45Å; W713-F831 HydrophobicContact CE3-CE1 4.27Å; W716-F831 HydrophobicContact CB-CD1 3.72Å; W716-F831 HydrophobicContact CB-CE1 3.35Å; W716-F831 HydrophobicContact CB-CZ 3.89Å; W716-F831 AromaticContact CD1-CD1 3.96Å; W716-F831 AromaticContact CD1-CG 3.98Å; W716-F831 HydrophobicContact CD2-CB 4.25Å; W716-F831 AromaticContact CD2-CD1 3.47Å; W716-F831 HydrophobicContact CD2-CD1 3.47Å; W716-F831 VanDerWaalsContact CD2-CD1 3.47Å; W716-F831 HydrophobicContact CD2-CE1 4.1Å; W716-F831 AromaticContact CD2-CG 3.98Å; W716-F831 HydrophobicContact CD2-CG 3.98Å; W716-F831 AromaticContact CE2-CD1 3.92Å; W716-F831 AromaticContact CE2-CG 3.94Å; W716-F831 AromaticContact CE3-CD1 3.85Å; W716-F831 HydrophobicContact CE3-CD1 3.85Å; W716-F831 AromaticContact CG-CD1 3.45Å; W716-F831 HydrophobicContact CG-CD1 3.45Å; W716-F831 VanDerWaalsContact CG-CD1 3.45Å; W716-F831 AromaticContact CG-CE1 3.65Å; W716-F831 HydrophobicContact CG-CE1 3.65Å; W716-F831 AromaticContact CG-CG 3.95Å; W716-F831 HydrophobicContact CG-CG 3.95Å; W716-F831 HydrophobicContact CG-CZ 4.28Å; W716-F831 HydrophobicContact CH2-CB 4.12Å; W716-F831 HydrophobicContact CZ2-CB 3.77Å; W716-F831 HydrophobicContact CZ2-CD1 4.49Å; W716-F831 HydrophobicContact CZ2-CG 4.39Å; W716-F831 HydrophobicContact CZ3-CD1 4.35Å; M717-F831 HydrophobicContact CE-CD1 3.88Å; M717-F831 HydrophobicContact CE-CE1 4.05Å; I829-F831 VanDerWaalsContact C-N 3.26Å; I829-F831 PolarHBondContact O-N 2.92Å
832F81.9Confident94.6Very high56 Ų5613.2 Ų13.225%0.2466%0.064CC..Iπ-helixtrans-83-31.4-175.4-40.6-29.3000110.6I494 W794 D828 I829 R836I494-F832 HydrophobicContact CD1-CD1 3.53Å; I494-F832 HydrophobicContact CD1-CD2 4.05Å; I494-F832 HydrophobicContact CD1-CE1 2.87Å; I494-F832 HydrophobicContact CD1-CE2 3.36Å; I494-F832 HydrophobicContact CD1-CG 4.16Å; I494-F832 HydrophobicContact CD1-CZ 2.81Å; I494-F832 HydrophobicContact CG1-CE1 4.31Å; I494-F832 HydrophobicContact CG1-CZ 4.26Å; W794-F832 HydrophobicContact CD2-CB 3.89Å; W794-F832 HydrophobicContact CE3-CB 3.92Å; W794-F832 HydrophobicContact CH2-CB 3.7Å; W794-F832 HydrophobicContact CH2-CD2 4.46Å; W794-F832 HydrophobicContact CZ2-CB 3.65Å; W794-F832 HydrophobicContact CZ2-CD2 4.3Å; W794-F832 HydrophobicContact CZ2-CG 4.29Å; W794-F832 HydrophobicContact CZ3-CB 3.84Å; D828-F832 WeakPolarHBondContact O-CE2 3.4Å; D828-F832 VanDerWaalsContact O-CZ 3.3Å; D828-F832 WeakPolarHBondContact O-CZ 3.44Å; I829-F832 HydrophobicContact CB-CD2 4.29Å; I829-F832 HydrophobicContact CG2-CD2 4.06Å; I829-F832 PolarHBondContact O-N 2.8Å; F832-R836 WeakPolarHBondContact O-CG 3.38Å
833W93.8Very high94.5Very high5 Ų516 Ų162%0.0198%0.076CC..Iπ-helixtrans-122-58.4-174-162.938.2000112.6P348 P349 W794 S797 F800 L823 I829 A835 R836 M837P348-W833 HydrophobicContact CB-CE3 4.29Å; P348-W833 HydrophobicContact CB-CH2 3.95Å; P348-W833 HydrophobicContact CB-CZ3 3.53Å; P348-W833 HydrophobicContact CG-CH2 4.24Å; P348-W833 HydrophobicContact CG-CZ3 3.73Å; P349-W833 HydrophobicContact CG-CZ2 4.45Å; W794-W833 HydrophobicContact CE3-CB 4.25Å; W794-W833 HydrophobicContact CZ3-CB 3.88Å; W794-W833 HydrophobicContact CZ3-CG 4.31Å; S797-W833 PolarHBondContact O-NE1 3.13Å; F800-W833 HydrophobicContact CB-CZ2 4.45Å; F800-W833 HydrophobicContact CD1-CZ2 4.13Å; L823-W833 HydrophobicContact CD1-CH2 3.77Å; L823-W833 HydrophobicContact CD1-CZ3 3.76Å; L823-W833 HydrophobicContact CD2-CZ3 4.45Å; I829-W833 HydrophobicContact CB-CB 4.37Å; I829-W833 HydrophobicContact CD1-CB 4.2Å; I829-W833 HydrophobicContact CD1-CD2 4.31Å; I829-W833 HydrophobicContact CD1-CE3 3.62Å; I829-W833 HydrophobicContact CD1-CZ3 4.43Å; I829-W833 HydrophobicContact CG1-CB 4.39Å; I829-W833 HydrophobicContact CG1-CE3 4.45Å; I829-W833 PolarHBondContact O-N 2.99Å; W833-A835 PolarHBondContact O-N 2.74Å; W833-R836 PolarHBondContact O-N 3.19Å; W833-R836 VanDerWaalsContact O-N 3.1Å; W833-M837 HydrophobicContact CB-CE 4.42Å; W833-M837 HydrophobicContact CD2-CE 3.34Å; W833-M837 HydrophobicContact CD2-SD 4.04Å; W833-M837 VanDerWaalsContact CE2-CE 3.44Å; W833-M837 HydrophobicContact CE3-CE 3.65Å; W833-M837 HydrophobicContact CG-CE 3.7Å; W833-M837 HydrophobicContact CG-SD 4.39Å; W833-M837 HydrophobicContact CH2-CE 4.07Å; W833-M837 HydrophobicContact CH2-SD 4.3Å; W833-M837 HydrophobicContact CZ2-CE 3.84Å; W833-M837 HydrophobicContact CZ2-SD 3.65Å; W833-M837 HydrophobicContact CZ3-CE 3.99Å; W833-M837 PolarHBondContact NE1-SD 3.2Å; W833-M837 WeakPolarHBondContact O-CG 3.41Å; W833-M837 PolarHBondContact O-N 2.87Å
834V97.1Very high94.5Very high0 Ų016.7 Ų16.70%08%0.08CC..Iπ-helixtrans-59.7-49.4-174.3-174.40000111.3W713 L823 T825 I829 L830 R836 M837 V838 F850 V853W713-V834 HydrophobicContact CZ3-CG1 4.36Å; L823-V834 HydrophobicContact CD2-CB 4.25Å; L823-V834 HydrophobicContact CD2-CG1 4.07Å; L823-V834 HydrophobicContact CD2-CG2 3.59Å; T825-V834 HydrophobicContact CG2-CG2 3.81Å; I829-V834 PolarHBondContact O-N 2.68Å; L830-V834 HydrophobicContact CD1-CB 4.03Å; L830-V834 HydrophobicContact CD1-CG1 4.17Å; L830-V834 HydrophobicContact CD1-CG2 4.36Å; L830-V834 VanDerWaalsContact O-CB 3.3Å; L830-V834 WeakPolarHBondContact O-CB 3.44Å; L830-V834 PolarHBondContact O-N 3.43Å; V834-R836 VanDerWaalsContact C-N 3.32Å; V834-R836 PolarHBondContact O-N 2.88Å; V834-M837 HydrophobicContact CG2-CE 4.45Å; V834-M837 PolarHBondContact O-N 3.26Å; V834-V838 WeakPolarHBondContact O-CG2 3.36Å; V834-V838 PolarHBondContact O-N 3.45Å; V834-F850 HydrophobicContact CG1-CE2 4.05Å; V834-F850 HydrophobicContact CG1-CZ 3.81Å; V834-V853 HydrophobicContact CG1-CG1 3.97Å; V834-V853 HydrophobicContact CG1-CG2 3.75Å; V834-V853 HydrophobicContact CG2-CG1 4.38Å
835A96.1Very high94.5Very high0 Ų018.5 Ų18.50%09%0.091CC..Hα-helixtrans-57.6-42.7175.500000113.1W713 W716 M717 L830 W833 V838 M839W713-A835 HydrophobicContact CH2-CB 4.08Å; W713-A835 HydrophobicContact CZ3-CB 3.93Å; W716-A835 HydrophobicContact CH2-CB 4.41Å; W716-A835 HydrophobicContact CZ3-CB 3.98Å; M717-A835 HydrophobicContact CE-CB 3.39Å; M717-A835 HydrophobicContact SD-CB 4.36Å; L830-A835 PolarHBondContact O-N 2.78Å; W833-A835 PolarHBondContact O-N 2.74Å; A835-V838 PolarHBondContact O-N 3.07Å; A835-M839 WeakPolarHBondContact O-CB 3.32Å; A835-M839 VanDerWaalsContact O-CG 3.32Å; A835-M839 WeakPolarHBondContact O-CG 3.47Å; A835-M839 PolarHBondContact O-N 3.44Å
836R95.7Very high94.5Very high27 Ų2721.3 Ų21.310%0.10212%0.12CC..Hα-helixtrans-64.6-42.1178.3-62-60.8-176.3-121.52.3111.3W723 F832 W833 V834 M839 M840W723-R836 HydrophobicContact CH2-CG 4.33Å; F832-R836 WeakPolarHBondContact O-CG 3.38Å; W833-R836 PolarHBondContact O-N 3.19Å; W833-R836 VanDerWaalsContact O-N 3.1Å; V834-R836 VanDerWaalsContact C-N 3.32Å; V834-R836 PolarHBondContact O-N 2.88Å; R836-M839 PolarHBondContact O-N 2.83Å; R836-M840 VanDerWaalsContact O-CB 3.3Å; R836-M840 WeakPolarHBondContact O-CB 3.37Å; R836-M840 VanDerWaalsContact O-CG 3.27Å; R836-M840 WeakPolarHBondContact O-CG 3.05Å; R836-M840 PolarHBondContact O-N 3.01Å
837M98.1Very high94.7Very high0 Ų026.3 Ų26.30%014%0.141CC..Hα-helixtrans-62.9-42175.6-70.3-175.4-7000113.1G798 P801 L823 W833 V834 G841 P849 F850G798-M837 VanDerWaalsContact O-CA 3.23Å; G798-M837 WeakPolarHBondContact O-CA 3.49Å; G798-M837 WeakPolarHBondContact O-CG 3.24Å; P801-M837 VanDerWaalsContact CD-SD 3.52Å; P801-M837 HydrophobicContact CG-CB 4.23Å; P801-M837 HydrophobicContact CG-CG 3.89Å; P801-M837 HydrophobicContact CG-SD 3.27Å; P801-M837 WeakPolarHBondContact CG-SD 3.3Å; L823-M837 HydrophobicContact CD1-CE 4.06Å; L823-M837 HydrophobicContact CD2-CE 3.3Å; L823-M837 HydrophobicContact CG-CE 4.33Å; W833-M837 HydrophobicContact CB-CE 4.42Å; W833-M837 HydrophobicContact CD2-CE 3.34Å; W833-M837 HydrophobicContact CD2-SD 4.04Å; W833-M837 VanDerWaalsContact CE2-CE 3.44Å; W833-M837 HydrophobicContact CE3-CE 3.65Å; W833-M837 HydrophobicContact CG-CE 3.7Å; W833-M837 HydrophobicContact CG-SD 4.39Å; W833-M837 HydrophobicContact CH2-CE 4.07Å; W833-M837 HydrophobicContact CH2-SD 4.3Å; W833-M837 HydrophobicContact CZ2-CE 3.84Å; W833-M837 HydrophobicContact CZ2-SD 3.65Å; W833-M837 HydrophobicContact CZ3-CE 3.99Å; W833-M837 PolarHBondContact NE1-SD 3.2Å; W833-M837 WeakPolarHBondContact O-CG 3.41Å; W833-M837 PolarHBondContact O-N 2.87Å; V834-M837 HydrophobicContact CG2-CE 4.45Å; V834-M837 PolarHBondContact O-N 3.26Å; M837-G841 WeakPolarHBondContact O-CA 3.44Å; M837-G841 PolarHBondContact O-N 3.3Å; M837-P849 HydrophobicContact CB-CB 4.38Å; M837-P849 HydrophobicContact CB-CG 4.19Å; M837-P849 WeakPolarHBondContact O-CG 3.46Å; M837-F850 HydrophobicContact CB-CE1 3.99Å; M837-F850 HydrophobicContact CB-CZ 4.23Å; M837-F850 HydrophobicContact CE-CE1 3.87Å; M837-F850 HydrophobicContact CE-CZ 4.23Å; M837-F850 HydrophobicContact SD-CE1 4.08Å
838V98.3Very high95.1Very high0 Ų026.4 Ų26.40%014%0.142CC..Hα-helixtrans-65.3-50177.9175.70000110.3A693 V696 L702 W713 V834 A835 L842 L848 P849 F850A693-V838 HydrophobicContact CB-CB 4.46Å; A693-V838 HydrophobicContact CB-CG1 3.71Å; V696-V838 HydrophobicContact CG2-CG1 4.21Å; L702-V838 HydrophobicContact CD2-CG1 4.15Å; L702-V838 HydrophobicContact CD2-CG2 3.55Å; W713-V838 HydrophobicContact CH2-CB 4.37Å; W713-V838 HydrophobicContact CH2-CG2 4.15Å; V834-V838 WeakPolarHBondContact O-CG2 3.36Å; V834-V838 PolarHBondContact O-N 3.45Å; A835-V838 PolarHBondContact O-N 3.07Å; V838-L842 HydrophobicContact CG1-CD1 3.95Å; V838-L842 WeakPolarHBondContact O-CB 3.33Å; V838-L842 VanDerWaalsContact O-CG 3.29Å; V838-L842 WeakPolarHBondContact O-CG 3.48Å; V838-L842 PolarHBondContact O-N 2.78Å; V838-L848 HydrophobicContact CG1-CD2 4.26Å; V838-P849 HydrophobicContact CG2-CG 4.11Å; V838-F850 HydrophobicContact CG2-CE2 3.91Å; V838-F850 HydrophobicContact CG2-CZ 3.92Å
839M97.6Very high95.6Very high2 Ų223.7 Ų23.71%0.0113%0.128CC..Hα-helixtrans-59.7-50.8178.5-73.1-163.8-52.800112.1M689 A693 I720 A835 R836 K843M689-M839 HydrophobicContact CB-CB 4.04Å; M689-M839 HydrophobicContact CB-CG 3.96Å; M689-M839 HydrophobicContact CB-SD 3.79Å; M689-M839 HydrophobicContact CE-CB 3.7Å; M689-M839 WeakPolarHBondContact CE-O 3.45Å; A693-M839 HydrophobicContact CB-CG 3.97Å; I720-M839 HydrophobicContact CD1-CE 3.97Å; I720-M839 HydrophobicContact CD1-SD 3.66Å; A835-M839 WeakPolarHBondContact O-CB 3.32Å; A835-M839 VanDerWaalsContact O-CG 3.32Å; A835-M839 WeakPolarHBondContact O-CG 3.47Å; A835-M839 PolarHBondContact O-N 3.44Å; R836-M839 PolarHBondContact O-N 2.83Å; M839-K843 VanDerWaalsContact O-CB 3.25Å; M839-K843 WeakPolarHBondContact O-CB 3.27Å; M839-K843 PolarHBondContact O-N 3.05Å
840M97.9Very high95.9Very high1 Ų122.3 Ų22.31%0.00512%0.12CC..Hα-helixtrans-71.5-36.4-177.1-65.4-171.283.100112.4A464 M468 M689 W723 F795 I799 R836 K843 L844A464-M840 HydrophobicContact CB-CE 4.45Å; M468-M840 HydrophobicContact SD-CE 4.27Å; M689-M840 HydrophobicContact CE-CG 4.41Å; W723-M840 HydrophobicContact CH2-SD 4.44Å; W723-M840 HydrophobicContact CZ3-SD 4.26Å; F795-M840 HydrophobicContact CD1-CE 4.47Å; F795-M840 HydrophobicContact CD2-CE 3.98Å; F795-M840 HydrophobicContact CE1-CE 4.21Å; F795-M840 HydrophobicContact CE2-CE 3.68Å; F795-M840 HydrophobicContact CG-CE 4.38Å; F795-M840 HydrophobicContact CZ-CE 3.81Å; I799-M840 HydrophobicContact CG2-CB 4.04Å; I799-M840 HydrophobicContact CG2-CE 3.34Å; I799-M840 HydrophobicContact CG2-CG 4.5Å; I799-M840 HydrophobicContact CG2-SD 3.72Å; R836-M840 VanDerWaalsContact O-CB 3.3Å; R836-M840 WeakPolarHBondContact O-CB 3.37Å; R836-M840 VanDerWaalsContact O-CG 3.27Å; R836-M840 WeakPolarHBondContact O-CG 3.05Å; R836-M840 PolarHBondContact O-N 3.01Å; M840-K843 PolarHBondContact O-N 2.85Å; M840-L844 HydrophobicContact CB-CD1 4.34Å; M840-L844 HydrophobicContact CE-CD1 4.07Å; M840-L844 VanDerWaalsContact O-CB 3.26Å; M840-L844 WeakPolarHBondContact O-CB 3.29Å; M840-L844 WeakPolarHBondContact O-CG 3.45Å; M840-L844 PolarHBondContact O-N 2.91Å
841G97.8Very high96.1Very high0 Ų028.2 Ų28.20%015%0.146CC..Hα-helixtrans-59.5-50.3174.200000111.8M837 K843 T845 G846 K847M837-G841 WeakPolarHBondContact O-CA 3.44Å; M837-G841 PolarHBondContact O-N 3.3Å; G841-K843 PolarHBondContact O-N 3.47Å; G841-T845 WeakPolarHBondContact O-CB 3.39Å; G841-T845 PolarHBondContact O-N 2.84Å; G841-T845 PolarHBondContact O-OG1 2.97Å; G841-G846 PolarHBondContact O-N 3Å; G841-K847 CarbonylContact C-O 3.57Å
842L97.8Very high96.4Very high26 Ų2629 Ų2914%0.13615%0.15CC..Hα-helixtrans-61.8-45.8176.4-69.8171.3000111.4Q692 V696 V838 G846 K847 L848Q692-L842 HydrophobicContact CB-CD1 4.25Å; V696-L842 HydrophobicContact CG1-CD1 4.05Å; V696-L842 HydrophobicContact CG1-CD2 4.35Å; V696-L842 HydrophobicContact CG2-CD1 4.31Å; V838-L842 HydrophobicContact CG1-CD1 3.95Å; V838-L842 WeakPolarHBondContact O-CB 3.33Å; V838-L842 VanDerWaalsContact O-CG 3.29Å; V838-L842 WeakPolarHBondContact O-CG 3.48Å; V838-L842 PolarHBondContact O-N 2.78Å; L842-G846 VanDerWaalsContact O-CA 3.22Å; L842-G846 WeakPolarHBondContact O-CA 3.37Å; L842-G846 PolarHBondContact O-N 2.92Å; L842-K847 PolarHBondContact N-O 3.14Å; L842-L848 HydrophobicContact CD1-CD2 4.38Å; L842-L848 HydrophobicContact CD2-CD2 4.02Å; L842-L848 HydrophobicContact CD2-CG 4.3Å; L842-L848 HydrophobicContact CG-CD2 4.3Å
843K97.6Very high97.2Very high62 Ų6226.3 Ų26.327%0.2714%0.138SC..Hα-helixtrans-66.7-43-177179.662.1-171.9177.10113.7M468 E471 M689 M839 M840 G841M468-K843 HydrophobicContact CE-CG 4.12Å; M468-K843 HydrophobicContact CG-CG 4.45Å; M468-K843 HydrophobicContact SD-CG 4.43Å; E471-K843 WeakPolarHBondContact OE2-CE 3.47Å; E471-K843 IonicContact OE2-NZ 3.13Å; E471-K843 PolarHBondContact OE2-NZ 3.09Å; M689-K843 HydrophobicContact CE-CB 3.59Å; M689-K843 HydrophobicContact CE-CG 3.95Å; M689-K843 HydrophobicContact SD-CB 4.31Å; M689-K843 HydrophobicContact SD-CG 4.17Å; M839-K843 VanDerWaalsContact O-CB 3.25Å; M839-K843 WeakPolarHBondContact O-CB 3.27Å; M839-K843 PolarHBondContact O-N 3.05Å; M840-K843 PolarHBondContact O-N 2.85Å; G841-K843 PolarHBondContact O-N 3.47Å
844L97.7Very high97.4Very high15 Ų1527.2 Ų27.28%0.07914%0.142CC..Hα-helixtrans-94.8-24.5-170.7-67.3170.7000113.8A464 R467 M468 I799 F802 W807 M840A464-L844 HydrophobicContact CB-CD1 3.61Å; A464-L844 HydrophobicContact CB-CD2 4.37Å; R467-L844 HydrophobicContact CB-CD2 4.47Å; M468-L844 HydrophobicContact CG-CD2 3.92Å; M468-L844 HydrophobicContact SD-CD2 4.2Å; M468-L844 HydrophobicContact SD-CG 4.48Å; I799-L844 HydrophobicContact CG2-CD1 3.83Å; F802-L844 HydrophobicContact CE2-CD1 4.3Å; F802-L844 HydrophobicContact CZ-CB 4.39Å; F802-L844 HydrophobicContact CZ-CD1 4.06Å; W807-L844 HydrophobicContact CH2-CB 4.07Å; W807-L844 HydrophobicContact CH2-CD1 3.97Å; W807-L844 HydrophobicContact CH2-CD2 3.99Å; W807-L844 HydrophobicContact CH2-CG 4.24Å; W807-L844 HydrophobicContact CZ2-CB 3.81Å; W807-L844 HydrophobicContact CZ2-CD2 4.33Å; W807-L844 HydrophobicContact CZ2-CG 4.45Å; W807-L844 HydrophobicContact CZ3-CD1 4.38Å; M840-L844 HydrophobicContact CB-CD1 4.34Å; M840-L844 HydrophobicContact CE-CD1 4.07Å; M840-L844 VanDerWaalsContact O-CB 3.26Å; M840-L844 WeakPolarHBondContact O-CB 3.29Å; M840-L844 WeakPolarHBondContact O-CG 3.45Å; M840-L844 PolarHBondContact O-N 2.91Å
845T96.8Very high97.3Very high38 Ų3827.5 Ų27.523%0.23314%0.144CC..Hα-helixtrans-122.4-14.1-175.481.20000113.8F802 Y818 G841 K847F802-T845 HydrophobicContact CD1-CG2 4.31Å; F802-T845 HydrophobicContact CD2-CG2 4.14Å; F802-T845 HydrophobicContact CE1-CG2 4.37Å; F802-T845 HydrophobicContact CE2-CG2 4.18Å; F802-T845 HydrophobicContact CG-CG2 4.18Å; F802-T845 HydrophobicContact CZ-CG2 4.28Å; Y818-T845 HydrophobicContact CE1-CG2 4.04Å; Y818-T845 PolarHBondContact OH-OG1 3.04Å; G841-T845 WeakPolarHBondContact O-CB 3.39Å; G841-T845 PolarHBondContact O-N 2.84Å; G841-T845 PolarHBondContact O-OG1 2.97Å; T845-K847 PolarHBondContact O-N 3.46Å; T845-K847 PolarHBondContact OG1-N 3.33Å; T845-K847 VanDerWaalsContact OG1-N 3.08Å; T845-K847 PolarHBondContact OG1-O 3.04Å
846G96.4Very high97.1Very high63 Ų6328 Ų2865%0.64915%0.146SC*.SBendtrans704.2-171.700000114.3G841 L842G841-G846 PolarHBondContact O-N 3Å; L842-G846 VanDerWaalsContact O-CA 3.22Å; L842-G846 WeakPolarHBondContact O-CA 3.37Å; L842-G846 PolarHBondContact O-N 2.92Å
847K97Very high96.7Very high110 Ų11027.1 Ų27.148%0.47814%0.144SC..SBendtrans-120152.1-177.6-60.8176.2-177.1174.50110.6Y818 G841 L842 T845Y818-K847 HydrophobicContact CD1-CD 4.34Å; Y818-K847 HydrophobicContact CE1-CB 3.9Å; Y818-K847 HydrophobicContact CE1-CD 4.11Å; Y818-K847 PolarHBondContact OH-O 2.91Å; G841-K847 CarbonylContact C-O 3.57Å; L842-K847 PolarHBondContact N-O 3.14Å; T845-K847 PolarHBondContact O-N 3.46Å; T845-K847 PolarHBondContact OG1-N 3.33Å; T845-K847 VanDerWaalsContact OG1-N 3.08Å; T845-K847 PolarHBondContact OG1-O 3.04Å
848L97.9Very high96.2Very high27 Ų2728.2 Ų28.214%0.14115%0.151CC..  trans-64.9144.6168.9-75.4171.2000110V696 K701 L702 P819 V838 L842 F850V696-L848 HydrophobicContact CB-CD2 4.1Å; V696-L848 HydrophobicContact CG1-CD2 4.24Å; V696-L848 HydrophobicContact CG2-CD2 3.86Å; K701-L848 HydrophobicContact CB-CD1 3.94Å; K701-L848 WeakPolarHBondContact O-CD1 3.33Å; L702-L848 HydrophobicContact CB-CD1 4.09Å; L702-L848 HydrophobicContact CB-CD2 4.26Å; P819-L848 WeakPolarHBondContact CB-O 3.31Å; V838-L848 HydrophobicContact CG1-CD2 4.26Å; L842-L848 HydrophobicContact CD1-CD2 4.38Å; L842-L848 HydrophobicContact CD2-CD2 4.02Å; L842-L848 HydrophobicContact CD2-CG 4.3Å; L842-L848 HydrophobicContact CG-CD2 4.3Å; L848-F850 VanDerWaalsContact C-N 3.31Å; L848-F850 PolarHBondContact O-N 2.89Å
849P97.7Very high95.6Very high1 Ų128.5 Ų28.51%0.00615%0.152CC..SBendtrans-69.7-28.8176.329.9-38.3000113.6P801 Y818 G820 M837 V838P801-P849 HydrophobicContact CB-CB 3.96Å; P801-P849 HydrophobicContact CG-CB 3.92Å; Y818-P849 HydrophobicContact CE2-CB 4.44Å; G820-P849 PolarHBondContact N-O 2.96Å; M837-P849 HydrophobicContact CB-CB 4.38Å; M837-P849 HydrophobicContact CB-CG 4.19Å; M837-P849 WeakPolarHBondContact O-CG 3.46Å; V838-P849 HydrophobicContact CG2-CG 4.11Å
850F97.6Very high95.1Very high4 Ų431.5 Ų31.52%0.01816%0.164CC..EExtended strand (participates in β ladder)trans-156.4161.4-179.434.7-99.8000109.5L702 P801 G820 L823 V834 M837 V838 L848 V853L702-F850 HydrophobicContact CD1-CD2 3.71Å; L702-F850 HydrophobicContact CD1-CE2 3.91Å; L702-F850 WeakPolarHBondContact CD1-O 3.26Å; P801-F850 HydrophobicContact CG-CE1 4.48Å; G820-F850 VanDerWaalsContact O-CA 3.27Å; G820-F850 WeakPolarHBondContact O-CA 3.32Å; L823-F850 HydrophobicContact CB-CB 4.37Å; L823-F850 HydrophobicContact CB-CD1 3.62Å; L823-F850 HydrophobicContact CB-CD2 4.02Å; L823-F850 HydrophobicContact CB-CE1 3.88Å; L823-F850 HydrophobicContact CB-CE2 4.27Å; L823-F850 HydrophobicContact CB-CG 3.7Å; L823-F850 HydrophobicContact CB-CZ 4.2Å; L823-F850 HydrophobicContact CD1-CD1 4.5Å; L823-F850 HydrophobicContact CD1-CE1 4.41Å; L823-F850 HydrophobicContact CD2-CD1 4.22Å; L823-F850 HydrophobicContact CD2-CE1 3.58Å; L823-F850 HydrophobicContact CD2-CE2 4.26Å; L823-F850 HydrophobicContact CD2-CZ 3.61Å; L823-F850 HydrophobicContact CG-CD1 4.33Å; L823-F850 HydrophobicContact CG-CE1 4.16Å; L823-F850 HydrophobicContact CG-CZ 4.5Å; V834-F850 HydrophobicContact CG1-CE2 4.05Å; V834-F850 HydrophobicContact CG1-CZ 3.81Å; M837-F850 HydrophobicContact CB-CE1 3.99Å; M837-F850 HydrophobicContact CB-CZ 4.23Å; M837-F850 HydrophobicContact CE-CE1 3.87Å; M837-F850 HydrophobicContact CE-CZ 4.23Å; M837-F850 HydrophobicContact SD-CE1 4.08Å; V838-F850 HydrophobicContact CG2-CE2 3.91Å; V838-F850 HydrophobicContact CG2-CZ 3.92Å; L848-F850 VanDerWaalsContact C-N 3.31Å; L848-F850 PolarHBondContact O-N 2.89Å; F850-V853 HydrophobicContact CD2-CG2 3.56Å; F850-V853 HydrophobicContact CE2-CG2 3.18Å; F850-V853 HydrophobicContact CZ-CG2 4.12Å
851K96.7Very high94.3Very high127 Ų12732 Ų3255%0.55217%0.166SC*.EExtended strand (participates in β ladder)trans-88.2-34.5-179.9-62.4178.4-177.2174.50113.1K703 G820 S821K703-K851 PolarHBondContact N-O 3.23Å; K703-K851 VanDerWaalsContact N-O 3.1Å; G820-K851 PolarHBondContact O-N 3.19Å; S821-K851 PolarHBondContact O-N 3.38Å
852E97.8Very high93.2Very high44 Ų4433.8 Ų33.821%0.20618%0.181CC..EExtended strand (participates in β ladder)trans-132.8146.4-177.2-56.8-169.7160.200110.5K703 S821 L822 L823 Y1009K703-E852 HydrophobicContact CB-CG 4.22Å; K703-E852 HydrophobicContact CD-CG 4.36Å; K703-E852 IonicContact NZ-OE1 2.71Å; K703-E852 PolarHBondContact NZ-OE1 3.06Å; K703-E852 CarbonylContact O-C 3.47Å; K703-E852 WeakPolarHBondContact O-CA 3.46Å; S821-E852 PolarHBondContact O-N 3.11Å; L822-E852 WeakPolarHBondContact CA-O 3.43Å; L822-E852 HydrophobicContact CD1-CB 4.04Å; L823-E852 PolarHBondContact N-O 3.46Å; E852-Y1009 PolarHBondContact OE2-OH 3.01Å
853V98.2Very high92.2Very high0 Ų036.5 Ų36.50%019%0.193CC..EExtended strand (participates in β ladder)trans-120.6119.7172.3-176.50000108.2L702 K703 I704 I705 L823 V834 F850 L855L702-V853 HydrophobicContact CD1-CG2 4.06Å; K703-V853 PolarHBondContact O-N 2.88Å; I704-V853 HydrophobicContact CG1-CB 4.49Å; I705-V853 PolarHBondContact N-O 3.36Å; L823-V853 CarbonylContact O-C 3.55Å; L823-V853 VanDerWaalsContact O-CA 3.26Å; L823-V853 WeakPolarHBondContact O-CA 3.38Å; V834-V853 HydrophobicContact CG1-CG1 3.97Å; V834-V853 HydrophobicContact CG1-CG2 3.75Å; V834-V853 HydrophobicContact CG2-CG1 4.38Å; F850-V853 HydrophobicContact CD2-CG2 3.56Å; F850-V853 HydrophobicContact CE2-CG2 3.18Å; F850-V853 HydrophobicContact CZ-CG2 4.12Å; V853-L855 HydrophobicContact CG1-CD2 3.73Å; V853-L855 HydrophobicContact CG1-CG 3.97Å
854Y97.2Very high91.2Very high24 Ų2434.8 Ų34.89%0.09419%0.193CC..EExtended strand (participates in β ladder)trans-104.9121.9171.1177.8-118.2000110.2I366 I705 L823 E824 T825 H856 Y1009 F1011I366-Y854 HydrophobicContact CG2-CD1 4.34Å; I366-Y854 HydrophobicContact CG2-CE1 4.07Å; I705-Y854 HydrophobicContact CB-CD2 4.27Å; I705-Y854 HydrophobicContact CG2-CD2 3.91Å; I705-Y854 HydrophobicContact CG2-CE2 4.44Å; L823-Y854 PolarHBondContact O-N 3.47Å; E824-Y854 WeakPolarHBondContact CA-O 3.4Å; E824-Y854 HydrophobicContact CG-CD1 3.63Å; E824-Y854 HydrophobicContact CG-CE1 4.43Å; T825-Y854 PolarHBondContact N-O 2.79Å; Y854-H856 HydrophobicContact CE1-CB 4.38Å; Y854-Y1009 HydrophobicContact CD1-CD1 4.33Å; Y854-Y1009 HydrophobicContact CD2-CD1 4.45Å; Y854-Y1009 HydrophobicContact CD2-CD2 4.25Å; Y854-Y1009 AromaticContact CD2-CG 3.93Å; Y854-Y1009 HydrophobicContact CD2-CG 3.93Å; Y854-Y1009 HydrophobicContact CE2-CG 4.21Å; Y854-Y1009 HydrophobicContact CG-CD1 4.19Å; Y854-Y1009 HydrophobicContact CG-CG 4.13Å; Y854-F1011 AromaticContact CE1-CE2 3.75Å; Y854-F1011 HydrophobicContact CE1-CE2 3.75Å
855L95.3Very high90.1Very high7 Ų738.6 Ų38.64%0.03721%0.206CC..EExtended strand (participates in β ladder)trans-107.6111-177-61.4173.1000110.9I704 I705 H709 T825 H827 L830 V853I704-L855 HydrophobicContact CG2-CD1 3.85Å; I705-L855 PolarHBondContact O-N 2.97Å; H709-L855 HydrophobicContact CB-CD1 4.07Å; T825-L855 HydrophobicContact CG2-CD2 3.76Å; T825-L855 CarbonylContact O-C 3.51Å; T825-L855 VanDerWaalsContact O-CA 3.25Å; T825-L855 WeakPolarHBondContact O-CA 3.34Å; H827-L855 HydrophobicContact CB-CB 4.14Å; L830-L855 HydrophobicContact CB-CD1 4.49Å; L830-L855 HydrophobicContact CD1-CD1 3.84Å; L830-L855 HydrophobicContact CD1-CD2 4.33Å; L830-L855 HydrophobicContact CD2-CD1 3.89Å; L830-L855 HydrophobicContact CG-CD1 4.28Å; V853-L855 HydrophobicContact CG1-CD2 3.73Å; V853-L855 HydrophobicContact CG1-CG 3.97Å
856H92.8Very high89.1Confident11 Ų1141.5 Ų41.55%0.05122%0.215CC..EExtended strand (participates in β ladder)trans-89165.2176.962.9-107.7000113.7T363 I366 E824 T825 G826 H827 Y854T363-H856 PolarHBondContact OG1-CE1 3.47Å; T363-H856 PolarHBondContact OG1-NE2 2.88Å; T363-H856 VanDerWaalsContact OG1-NE2 3.15Å; I366-H856 HydrophobicContact CD1-CB 3.79Å; E824-H856 VanDerWaalsContact CD-ND1 3.3Å; E824-H856 IonicContact OE1-CE1 2.72Å; E824-H856 PolarHBondContact OE1-CE1 2.89Å; E824-H856 IonicContact OE1-CG 3.68Å; E824-H856 IonicContact OE1-ND1 3.61Å; E824-H856 PolarHBondContact OE1-ND1 3.06Å; E824-H856 IonicContact OE2-CE1 3.53Å; E824-H856 IonicContact OE2-ND1 3.99Å; T825-H856 PolarHBondContact O-N 3.26Å; T825-H856 PolarHBondContact O-ND1 2.68Å; G826-H856 PolarHBondContact N-CE1 3.47Å; G826-H856 VanDerWaalsContact N-CE1 3.29Å; G826-H856 PolarHBondContact N-NE2 3.24Å; H827-H856 PolarHBondContact N-O 3.46Å; H827-H856 VanDerWaalsContact N-O 3.16Å; H827-H856 PolarHBondContact ND1-O 2.98Å; Y854-H856 HydrophobicContact CE1-CB 4.38Å
857A87.8Confident88.3Confident8 Ų839 Ų397%0.06619%0.187CC..PPolyproline II helixtrans-69.1147.7176.800000113.2L362 G937 R938 I940L362-A857 WeakPolarHBondContact CD2-O 3.42Å; A857-G937 WeakPolarHBondContact CB-O 3.05Å; A857-R938 VanDerWaalsContact CA-O 3.22Å; A857-R938 WeakPolarHBondContact CA-O 3.5Å; A857-R938 WeakPolarHBondContact CB-O 3.22Å; A857-I940 HydrophobicContact CB-CD1 3.85Å; A857-I940 HydrophobicContact CB-CG1 3.81Å
858V87.1Confident87.1Confident22 Ų2235 Ų3513%0.13317%0.173CC..EExtended strand (participates in β ladder)trans-86.6132.3-179.7176.60000110.8D828 R938 D939 I940D828-V858 HydrophobicContact CB-CG2 4.09Å; V858-R938 PolarHBondContact N-O 2.84Å; V858-R938 VanDerWaalsContact N-O 3.13Å; V858-D939 WeakPolarHBondContact O-CA 3.23Å; V858-I940 PolarHBondContact O-N 3.01Å
859V86.1Confident86.1Confident6 Ų637.8 Ų37.84%0.03618%0.184CC..EExtended strand (participates in β ladder)trans-72.4133.3176.6-176.90000111.1L358 L362 M867 L942L358-V859 HydrophobicContact CB-CG1 4.38Å; L362-V859 HydrophobicContact CB-CG2 3.9Å; L362-V859 HydrophobicContact CD2-CG2 3.53Å; L362-V859 HydrophobicContact CG-CG2 4.35Å; V859-M867 HydrophobicContact CG1-CE 3.65Å; V859-M867 HydrophobicContact CG1-SD 4Å; V859-L942 HydrophobicContact CG1-CB 4.11Å; V859-L942 HydrophobicContact CG1-CD2 4.38Å
860R85.7Confident84.7Confident66 Ų6641.4 Ų41.425%0.24921%0.209CC..EExtended strand (participates in β ladder)trans-121.5157.8178.2-59.2-163.4173.5-127.74.9110.7G864 R865 M867 D939 I940 L942R860-G864 VanDerWaalsContact CD-O 3.26Å; R860-G864 WeakPolarHBondContact CD-O 3.22Å; R860-G864 PolarHBondContact NH1-O 3.38Å; R860-R865 WeakPolarHBondContact CA-O 3.36Å; R860-R865 WeakPolarHBondContact CB-O 3.3Å; R860-M867 WeakPolarHBondContact O-CE 3.37Å; R860-D939 HydrophobicContact CG-CB 4.27Å; R860-D939 IonicContact CZ-OD1 3.34Å; R860-D939 VanDerWaalsContact CZ-OD1 3.26Å; R860-D939 IonicContact CZ-OD2 3.77Å; R860-D939 IonicContact NE-OD1 2.71Å; R860-D939 PolarHBondContact NE-OD1 3.44Å; R860-D939 IonicContact NE-OD2 3.69Å; R860-D939 PolarHBondContact NE-OD2 3.39Å; R860-D939 IonicContact NH2-OD1 3.65Å; R860-D939 PolarHBondContact NH2-OD1 2.97Å; R860-D939 IonicContact NH2-OD2 2.95Å; R860-D939 PolarHBondContact NH2-OD2 3.5Å; R860-I940 PolarHBondContact N-O 3.38Å; R860-L942 PolarHBondContact O-N 2.98Å
861D80.9Confident83.6Confident10 Ų1044.1 Ų44.15%0.05322%0.224CC..  trans-65.2170.8171.971.914.3000111.6H863 G864 R865 N873D861-H863 PolarHBondContact O-N 2.85Å; D861-H863 WeakPolarHBondContact OD1-CA 3.15Å; D861-H863 WeakPolarHBondContact OD1-CB 3.45Å; D861-H863 PolarHBondContact OD1-N 2.89Å; D861-G864 PolarHBondContact O-N 3.08Å; D861-G864 PolarHBondContact OD1-N 3.1Å; D861-G864 VanDerWaalsContact OD1-N 3.14Å; D861-R865 PolarHBondContact N-O 2.99Å; D861-R865 PolarHBondContact OD1-N 3.39Å; D861-R865 IonicContact OD1-NE 3.05Å; D861-R865 WeakPolarHBondContact OD2-CB 3.25Å; D861-R865 IonicContact OD2-CZ 3.14Å; D861-R865 IonicContact OD2-NE 3.82Å; D861-R865 PolarHBondContact OD2-NE 3.23Å; D861-R865 IonicContact OD2-NH2 3.8Å; D861-R865 PolarHBondContact OD2-NH2 2.99Å; D861-N873 HydrophobicContact CB-CB 4.49Å; D861-N873 PolarHBondContact OD2-ND2 2.74Å
862A74.6Confident82.6Confident38 Ų3838.5 Ų38.531%0.31420%0.202SC..THydrogen-bonded Turntrans-60.8-6-179.400000114.3
863H77.6Confident81.9Confident84 Ų8437.3 Ų37.339%0.38920%0.197SC..THydrogen-bonded Turntrans-108.95.1177.1-58-81.1000113.2K119 D861 R865 D913K119-H863 PolarHBondContact NZ-CE1 3.07Å; K119-H863 PolarHBondContact NZ-ND1 2.89Å; D861-H863 PolarHBondContact O-N 2.85Å; D861-H863 WeakPolarHBondContact OD1-CA 3.15Å; D861-H863 WeakPolarHBondContact OD1-CB 3.45Å; D861-H863 PolarHBondContact OD1-N 2.89Å; H863-R865 VanDerWaalsContact C-N 3.34Å; H863-D913 IonicContact CD2-OD2 2.84Å; H863-D913 IonicContact CE1-OD1 3.61Å; H863-D913 IonicContact NE2-OD1 2.66Å; H863-D913 PolarHBondContact NE2-OD1 3.03Å; H863-D913 IonicContact NE2-OD2 3.16Å; H863-D913 PolarHBondContact NE2-OD2 2.86Å
864G76.6Confident81.3Confident25 Ų2538.9 Ų38.926%0.25821%0.206SC..SBendtrans77.215.918000000114.5R860 D861 N941R860-G864 VanDerWaalsContact CD-O 3.26Å; R860-G864 WeakPolarHBondContact CD-O 3.22Å; R860-G864 PolarHBondContact NH1-O 3.38Å; D861-G864 PolarHBondContact O-N 3.08Å; D861-G864 PolarHBondContact OD1-N 3.1Å; D861-G864 VanDerWaalsContact OD1-N 3.14Å; G864-N941 WeakPolarHBondContact CA-OD1 3.19Å
865R74.7Confident80.9Confident95 Ų9538.4 Ų38.436%0.35821%0.205SC..PPolyproline II helixtrans-87.7141171.7-54.2177.3-62.9177.90.6109.4R860 D861 H863 M867R860-R865 WeakPolarHBondContact CA-O 3.36Å; R860-R865 WeakPolarHBondContact CB-O 3.3Å; D861-R865 PolarHBondContact N-O 2.99Å; D861-R865 PolarHBondContact OD1-N 3.39Å; D861-R865 IonicContact OD1-NE 3.05Å; D861-R865 WeakPolarHBondContact OD2-CB 3.25Å; D861-R865 IonicContact OD2-CZ 3.14Å; D861-R865 IonicContact OD2-NE 3.82Å; D861-R865 PolarHBondContact OD2-NE 3.23Å; D861-R865 IonicContact OD2-NH2 3.8Å; D861-R865 PolarHBondContact OD2-NH2 2.99Å; H863-R865 VanDerWaalsContact C-N 3.34Å; R865-M867 PolarHBondContact O-N 2.93Å
866K74.8Confident80.8Confident100 Ų10038.6 Ų38.644%0.43521%0.206SC..BIsolated β-bridgetrans-54.6129.1172.4-176.5170.8-176.5165.20108.9D828 S868 N873D828-K866 IonicContact OD2-NZ 2.95Å; D828-K866 PolarHBondContact OD2-NZ 3.14Å; D828-K866 VanDerWaalsContact OD2-NZ 3.11Å; K866-S868 PolarHBondContact O-N 3.22Å; K866-N873 PolarHBondContact O-ND2 3.35Å
867M80Confident80.9Confident10 Ų1038 Ų385%0.04920%0.204CC..PPolyproline II helixtrans-66.6124.5172.3-71.5-171.8-173.700108.8L358 V859 R860 R865 V874L358-M867 HydrophobicContact CB-CE 4.41Å; L358-M867 HydrophobicContact CB-SD 4.27Å; L358-M867 HydrophobicContact CD1-CE 4.38Å; V859-M867 HydrophobicContact CG1-CE 3.65Å; V859-M867 HydrophobicContact CG1-SD 4Å; R860-M867 WeakPolarHBondContact O-CE 3.37Å; R865-M867 PolarHBondContact O-N 2.93Å; M867-V874 HydrophobicContact CB-CG2 4.28Å
868S73.4Confident81.2Confident27 Ų2739.1 Ų39.119%0.18921%0.208CC..  trans-149143.2175.673.60000112K866 S870 L871 G872 N873K866-S868 PolarHBondContact O-N 3.22Å; S868-S870 PolarHBondContact O-N 3.46Å; S868-S870 VanDerWaalsContact O-N 3.15Å; S868-S870 PolarHBondContact OG-OG 3.42Å; S868-L871 PolarHBondContact O-N 3.23Å; S868-L871 WeakPolarHBondContact OG-CB 3.39Å; S868-L871 WeakPolarHBondContact OG-CD1 3.39Å; S868-L871 WeakPolarHBondContact OG-CG 3.46Å; S868-L871 PolarHBondContact OG-N 3.39Å; S868-G872 PolarHBondContact O-N 2.94Å; S868-N873 PolarHBondContact N-OD1 2.53Å; S868-N873 PolarHBondContact O-OD1 3.42Å
869K75.3Confident81.5Confident85 Ų8538.6 Ų38.637%0.3721%0.205SC..THydrogen-bonded Turntrans-58.9-27.9178.5-66.5179.5-179.7175.30112.4T353 S355 V874 L898T353-K869 PolarHBondContact O-NZ 3.44Å; T353-K869 PolarHBondContact OG1-NZ 2.98Å; S355-K869 VanDerWaalsContact O-CE 3.32Å; S355-K869 WeakPolarHBondContact O-CE 3.33Å; S355-K869 PolarHBondContact O-NZ 2.69Å; K869-V874 HydrophobicContact CG-CG2 4.37Å; K869-L898 WeakPolarHBondContact O-CD2 3.35Å
870S69.8Low82Confident76 Ų7638.3 Ų38.353%0.53120%0.203SC..THydrogen-bonded Turntrans-75.6-18178.147.40000114.8S868 L898S868-S870 PolarHBondContact O-N 3.46Å; S868-S870 VanDerWaalsContact O-N 3.15Å; S868-S870 PolarHBondContact OG-OG 3.42Å; S870-L898 VanDerWaalsContact C-CD2 3.45Å; S870-L898 VanDerWaalsContact O-CD2 3.23Å; S870-L898 WeakPolarHBondContact O-CD2 3.49Å
871L72.7Confident82.4Confident62 Ų6235.5 Ų35.533%0.32519%0.193SC..THydrogen-bonded Turntrans-100.8-6.7178.1-67.7176.1000112.8S868 N873S868-L871 PolarHBondContact O-N 3.23Å; S868-L871 WeakPolarHBondContact OG-CB 3.39Å; S868-L871 WeakPolarHBondContact OG-CD1 3.39Å; S868-L871 WeakPolarHBondContact OG-CG 3.46Å; S868-L871 PolarHBondContact OG-N 3.39Å; L871-N873 PolarHBondContact O-N 2.95Å; L871-N873 VanDerWaalsContact O-N 3.11Å
872G77.3Confident83.1Confident9 Ų939 Ų399%0.09321%0.214CC..THydrogen-bonded Turntrans64.712.4-17700000114.7S868 V874 L898S868-G872 PolarHBondContact O-N 2.94Å; G872-V874 VanDerWaalsContact C-N 3.33Å; G872-L898 VanDerWaalsContact CA-CD1 3.47Å
873N82.8Confident84Confident18 Ų1838 Ų3810%0.09621%0.209CC..  trans-97.219.6179.971.7-23.1000112.9D861 K866 S868 L871D861-N873 HydrophobicContact CB-CB 4.49Å; D861-N873 PolarHBondContact OD2-ND2 2.74Å; K866-N873 PolarHBondContact O-ND2 3.35Å; S868-N873 PolarHBondContact N-OD1 2.53Å; S868-N873 PolarHBondContact O-OD1 3.42Å; L871-N873 PolarHBondContact O-N 2.95Å; L871-N873 VanDerWaalsContact O-N 3.11Å
874V84.7Confident84.8Confident33 Ų3335.5 Ų35.520%0.220%0.198CC..  trans-87.3136.2176.8162.50000109.3H357 M867 K869 G872H357-V874 HydrophobicContact CB-CB 4.47Å; H357-V874 HydrophobicContact CB-CG1 3.38Å; H357-V874 HydrophobicContact CB-CG2 4.47Å; M867-V874 HydrophobicContact CB-CG2 4.28Å; K869-V874 HydrophobicContact CG-CG2 4.37Å; G872-V874 VanDerWaalsContact C-N 3.33Å
875I89Confident85.6Confident15 Ų1537 Ų378%0.07720%0.204CC..  trans-109.6126.6172.5-58.5169.5000107.9H357 L358 V880 Y914 I918 V944H357-I875 VanDerWaalsContact CA-O 3.29Å; H357-I875 WeakPolarHBondContact CA-O 3.42Å; L358-I875 HydrophobicContact CD1-CB 3.74Å; L358-I875 HydrophobicContact CD1-CD1 4.05Å; L358-I875 HydrophobicContact CD1-CG1 4.47Å; L358-I875 HydrophobicContact CD1-CG2 3.84Å; L358-I875 HydrophobicContact CG-CB 4.05Å; L358-I875 HydrophobicContact CG-CG2 4.22Å; L358-I875 PolarHBondContact N-O 2.81Å; I875-V880 HydrophobicContact CG2-CG2 3.87Å; I875-Y914 HydrophobicContact CD1-CE2 4.01Å; I875-Y914 WeakPolarHBondContact CD1-OH 3.29Å; I875-I918 HydrophobicContact CG2-CD1 3.85Å; I875-V944 HydrophobicContact CD1-CG2 4.38Å
876D92.4Very high86.5Confident10 Ų1033.4 Ų33.45%0.05319%0.192CC..  trans-69.6131.2173.1-168.2-45.8000108.1S355 R432 Q436 L878 D879S355-D876 WeakPolarHBondContact CB-OD2 3.15Å; R432-D876 IonicContact CZ-OD2 3.08Å; R432-D876 IonicContact NH2-OD2 3.8Å; R432-D876 PolarHBondContact NH2-OD2 3.46Å; Q436-D876 PolarHBondContact NE2-OD1 2.94Å; Q436-D876 PolarHBondContact NE2-OD2 3.49Å; D876-L878 PolarHBondContact O-N 2.88Å; D876-L878 VanDerWaalsContact O-N 3.16Å; D876-L878 WeakPolarHBondContact OD1-CB 3.3Å; D876-L878 WeakPolarHBondContact OD1-CG 2.83Å; D876-L878 PolarHBondContact OD1-N 3.33Å; D876-D879 HydrophobicContact CB-CB 4.49Å; D876-D879 WeakPolarHBondContact CB-OD2 3.42Å; D876-D879 VanDerWaalsContact O-CB 3.32Å; D876-D879 WeakPolarHBondContact O-CB 3.07Å; D876-D879 PolarHBondContact O-N 3.09Å
877P94.8Very high87.3Confident0 Ų035 Ų350%020%0.201CC..Hα-helixtrans-56.4-30.2176.821.8-33.3000113.3L356 L358 A361 L440 D879 V880 I881 L926L356-P877 HydrophobicContact CB-CG 4.27Å; L356-P877 WeakPolarHBondContact O-CD 3.37Å; L358-P877 HydrophobicContact CD2-CB 4.18Å; A361-P877 HydrophobicContact CB-CB 4.07Å; L440-P877 HydrophobicContact CD1-CB 4.5Å; L440-P877 HydrophobicContact CD1-CG 4.45Å; L440-P877 HydrophobicContact CD2-CB 4.1Å; P877-D879 VanDerWaalsContact C-N 3.28Å; P877-D879 PolarHBondContact O-N 3.31Å; P877-V880 PolarHBondContact O-N 2.74Å; P877-I881 VanDerWaalsContact O-CG1 3.31Å; P877-I881 WeakPolarHBondContact O-CG1 3.38Å; P877-I881 PolarHBondContact O-N 2.82Å; P877-L926 HydrophobicContact CB-CD2 4.14Å
878L95.1Very high87.9Confident30 Ų3035.6 Ų35.616%0.15721%0.21CC..Hα-helixtrans-64.1-35.4177.1-62.5-176.7000111.9Q436 K439 D876 V880 I881 T882Q436-L878 HydrophobicContact CG-CD1 3.82Å; Q436-L878 HydrophobicContact CG-CG 4.01Å; K439-L878 HydrophobicContact CB-CD2 3.55Å; K439-L878 HydrophobicContact CG-CD2 3.87Å; D876-L878 PolarHBondContact O-N 2.88Å; D876-L878 VanDerWaalsContact O-N 3.16Å; D876-L878 WeakPolarHBondContact OD1-CB 3.3Å; D876-L878 WeakPolarHBondContact OD1-CG 2.83Å; D876-L878 PolarHBondContact OD1-N 3.33Å; L878-V880 PolarHBondContact O-N 3.05Å; L878-I881 HydrophobicContact CD2-CD1 4.25Å; L878-I881 PolarHBondContact O-N 3.37Å; L878-I881 VanDerWaalsContact O-N 3.1Å; L878-T882 PolarHBondContact O-N 3.13Å; L878-T882 PolarHBondContact O-OG1 2.6Å
879D94.3Very high88.7Confident12 Ų1234.5 Ų34.56%0.06420%0.202CC..Hα-helixtrans-61.3-31.5178-64.7-22.6000111.8D876 P877 G883 I884 Q892 I918D876-D879 HydrophobicContact CB-CB 4.49Å; D876-D879 WeakPolarHBondContact CB-OD2 3.42Å; D876-D879 VanDerWaalsContact O-CB 3.32Å; D876-D879 WeakPolarHBondContact O-CB 3.07Å; D876-D879 PolarHBondContact O-N 3.09Å; P877-D879 VanDerWaalsContact C-N 3.28Å; P877-D879 PolarHBondContact O-N 3.31Å; D879-G883 CarbonylContact O-C 3.57Å; D879-G883 VanDerWaalsContact O-C 3.29Å; D879-G883 WeakPolarHBondContact O-CA 3.25Å; D879-G883 PolarHBondContact O-N 2.78Å; D879-I884 HydrophobicContact CB-CB 4.26Å; D879-I884 HydrophobicContact CB-CG2 3.6Å; D879-I884 WeakPolarHBondContact OD1-CD1 3.48Å; D879-Q892 PolarHBondContact OD1-NE2 2.82Å; D879-Q892 PolarHBondContact OD2-NE2 2.7Å; D879-Q892 PolarHBondContact OD2-OE1 3.33Å; D879-I918 HydrophobicContact CB-CD1 4.42Å; D879-I918 WeakPolarHBondContact O-CG2 3.39Å
880V94.8Very high89.5Confident0 Ų032.7 Ų32.70%019%0.194CC..Hα-helixtrans-80.6-38.1174.6-1780000111.4L358 I875 P877 L878 I918 C921 L926 I947L358-V880 HydrophobicContact CD1-CG2 4.29Å; L358-V880 HydrophobicContact CD2-CG2 4.09Å; I875-V880 HydrophobicContact CG2-CG2 3.87Å; P877-V880 PolarHBondContact O-N 2.74Å; L878-V880 PolarHBondContact O-N 3.05Å; V880-I918 HydrophobicContact CG2-CG2 4.25Å; V880-C921 HydrophobicContact CG1-CB 4.04Å; V880-C921 WeakPolarHBondContact O-CB 3.18Å; V880-C921 PolarHBondContact O-N 3.28Å; V880-L926 HydrophobicContact CG1-CD1 4.19Å; V880-I947 HydrophobicContact CG1-CD1 3.88Å; V880-I947 HydrophobicContact CG1-CG2 4.08Å
881I95.5Very high90.4Very high6 Ų631.4 Ų31.43%0.03119%0.188CC..Hα-helixtrans-66-52.6-179.5-68165000110.5L440 P877 L878 E920 G922 T923 L926L440-I881 HydrophobicContact CD2-CD1 4.05Å; L440-I881 HydrophobicContact CG-CD1 4.49Å; P877-I881 VanDerWaalsContact O-CG1 3.31Å; P877-I881 WeakPolarHBondContact O-CG1 3.38Å; P877-I881 PolarHBondContact O-N 2.82Å; L878-I881 HydrophobicContact CD2-CD1 4.25Å; L878-I881 PolarHBondContact O-N 3.37Å; L878-I881 VanDerWaalsContact O-N 3.1Å; I881-E920 VanDerWaalsContact O-CG 3.26Å; I881-E920 WeakPolarHBondContact O-CG 3.29Å; I881-G922 PolarHBondContact O-N 3.1Å; I881-T923 WeakPolarHBondContact CG2-OG1 3.42Å; I881-L926 HydrophobicContact CD1-CD2 4.24Å; I881-L926 HydrophobicContact CG1-CD2 3.98Å
882T94.4Very high91.1Very high83 Ų8332 Ų3251%0.50919%0.19SC..Hα-helixtrans-96.8-12.4-173.763.20000113.8L878L878-T882 PolarHBondContact O-N 3.13Å; L878-T882 PolarHBondContact O-OG1 2.6Å
883G93.4Very high91.4Very high19 Ų1932.2 Ų32.220%0.19619%0.188CC..  trans77.6157.3-168.800000112.2D879 I918D879-G883 CarbonylContact O-C 3.57Å; D879-G883 VanDerWaalsContact O-C 3.29Å; D879-G883 WeakPolarHBondContact O-CA 3.25Å; D879-G883 PolarHBondContact O-N 2.78Å; G883-I918 VanDerWaalsContact CA-O 3.26Å; G883-I918 WeakPolarHBondContact CA-O 3.3Å
884I94.5Very high91.3Very high31 Ų3135.6 Ų35.616%0.15921%0.21CC..BIsolated β-bridgetrans-153.3141.7175.6-172.6165.6000110.4D879 L889 Q892 G917 I918D879-I884 HydrophobicContact CB-CB 4.26Å; D879-I884 HydrophobicContact CB-CG2 3.6Å; D879-I884 WeakPolarHBondContact OD1-CD1 3.48Å; I884-L889 HydrophobicContact CD1-CD2 4.26Å; I884-L889 HydrophobicContact CD1-CG 4.32Å; I884-L889 HydrophobicContact CG1-CG 4.31Å; I884-L889 HydrophobicContact CG2-CD1 4.17Å; I884-L889 HydrophobicContact CG2-CD2 3.66Å; I884-L889 HydrophobicContact CG2-CG 3.68Å; I884-Q892 HydrophobicContact CD1-CG 4.45Å; I884-Q892 VanDerWaalsContact CD1-NE2 3.31Å; I884-G917 CarbonylContact O-C 3.57Å; I884-G917 VanDerWaalsContact O-CA 3.24Å; I884-G917 WeakPolarHBondContact O-CA 3.37Å; I884-I918 HydrophobicContact CG2-CB 3.92Å; I884-I918 HydrophobicContact CG2-CD1 4.23Å; I884-I918 HydrophobicContact CG2-CG1 4.38Å; I884-I918 PolarHBondContact N-O 3.41Å; I884-I918 PolarHBondContact O-N 2.92Å
885S94.6Very high90.8Very high57 Ų5740.3 Ų40.340%0.39923%0.234SC..  trans-74.4163.4175.287.40000111.8E887 G888 L889S885-E887 VanDerWaalsContact C-N 3.25Å; S885-E887 WeakPolarHBondContact CB-OE2 3.25Å; S885-E887 PolarHBondContact O-N 3.29Å; S885-E887 PolarHBondContact OG-N 3.28Å; S885-E887 PolarHBondContact OG-OE2 3.49Å; S885-G888 PolarHBondContact O-N 2.72Å; S885-G888 VanDerWaalsContact O-N 3.14Å; S885-G888 PolarHBondContact OG-N 2.75Å; S885-G888 VanDerWaalsContact OG-N 3.13Å; S885-L889 PolarHBondContact O-N 2.91Å
886L92.4Very high90.2Very high19 Ų1941.4 Ų41.410%0.09924%0.243CC..Hα-helixtrans-60.7-37.6174.7179.861.2000111.7G888 L889 H890 Q910 K911L886-G888 VanDerWaalsContact C-N 3.33Å; L886-L889 PolarHBondContact O-N 3.36Å; L886-H890 WeakPolarHBondContact CD1-NE2 3.38Å; L886-H890 VanDerWaalsContact O-CG 3.32Å; L886-H890 PolarHBondContact O-N 3.04Å; L886-Q910 HydrophobicContact CD1-CB 4.32Å; L886-K911 HydrophobicContact CD1-CB 4.45Å; L886-K911 HydrophobicContact CD2-CB 4.39Å; L886-K911 HydrophobicContact CD2-CG 4.16Å
887E92.6Very high89.1Confident134 Ų13443.9 Ų43.963%0.62626%0.256SS*.Hα-helixtrans-63.5-40.4175.1-59.272.7-156.800111.4S885 H890 A891S885-E887 VanDerWaalsContact C-N 3.25Å; S885-E887 WeakPolarHBondContact CB-OE2 3.25Å; S885-E887 PolarHBondContact O-N 3.29Å; S885-E887 PolarHBondContact OG-N 3.28Å; S885-E887 PolarHBondContact OG-OE2 3.49Å; E887-H890 PolarHBondContact O-N 3.19Å; E887-A891 WeakPolarHBondContact O-CB 3.42Å; E887-A891 PolarHBondContact O-N 2.98Å
888G92.1Very high88.1Confident22 Ų2245 Ų4523%0.22726%0.262CS..Hα-helixtrans-61.3-45.3174.200000112.3S885 L886 H890 A891 Q892S885-G888 PolarHBondContact O-N 2.72Å; S885-G888 VanDerWaalsContact O-N 3.14Å; S885-G888 PolarHBondContact OG-N 2.75Å; S885-G888 VanDerWaalsContact OG-N 3.13Å; L886-G888 VanDerWaalsContact C-N 3.33Å; G888-H890 VanDerWaalsContact C-N 3.34Å; G888-H890 PolarHBondContact O-N 2.83Å; G888-A891 WeakPolarHBondContact O-CB 3.32Å; G888-A891 PolarHBondContact O-N 2.96Å; G888-Q892 WeakPolarHBondContact O-CG 3.49Å; G888-Q892 PolarHBondContact O-N 2.88Å; G888-Q892 VanDerWaalsContact O-N 3.08Å
889L90.1Very high87Confident4 Ų448.1 Ų48.12%0.02128%0.278CS..Hα-helixtrans-60.1-42.8175.2-73.4170.3000112I884 S885 L886 Q892 L893 Q910 Y914 I918I884-L889 HydrophobicContact CD1-CD2 4.26Å; I884-L889 HydrophobicContact CD1-CG 4.32Å; I884-L889 HydrophobicContact CG1-CG 4.31Å; I884-L889 HydrophobicContact CG2-CD1 4.17Å; I884-L889 HydrophobicContact CG2-CD2 3.66Å; I884-L889 HydrophobicContact CG2-CG 3.68Å; S885-L889 PolarHBondContact O-N 2.91Å; L886-L889 PolarHBondContact O-N 3.36Å; L889-Q892 PolarHBondContact O-N 2.63Å; L889-L893 PolarHBondContact O-N 3.38Å; L889-Q910 PolarHBondContact O-OE1 2.85Å; L889-Y914 HydrophobicContact CD1-CD2 4.33Å; L889-I918 HydrophobicContact CD1-CD1 4.31Å; L889-I918 HydrophobicContact CD1-CG1 4.26Å; L889-I918 HydrophobicContact CD2-CD1 4.2Å
890H91.9Very high86.2Confident47 Ų4752.3 Ų52.322%0.21831%0.306CS..Hα-helixtrans-66.1-36.4176-69.7172.5000112.9L886 E887 G888 L893 T894 Q910L886-H890 WeakPolarHBondContact CD1-NE2 3.38Å; L886-H890 VanDerWaalsContact O-CG 3.32Å; L886-H890 PolarHBondContact O-N 3.04Å; E887-H890 PolarHBondContact O-N 3.19Å; G888-H890 VanDerWaalsContact C-N 3.34Å; G888-H890 PolarHBondContact O-N 2.83Å; H890-L893 PolarHBondContact O-N 3.11Å; H890-T894 PolarHBondContact O-N 2.85Å; H890-T894 PolarHBondContact O-OG1 3Å; H890-Q910 PolarHBondContact CD2-OE1 2.91Å
891A88.5Confident85.4Confident49 Ų4957.3 Ų57.341%0.40534%0.337SS..Hα-helixtrans-63.6-45.3176.700000110.9E887 G888 L893 T894 D895E887-A891 WeakPolarHBondContact O-CB 3.42Å; E887-A891 PolarHBondContact O-N 2.98Å; G888-A891 WeakPolarHBondContact O-CB 3.32Å; G888-A891 PolarHBondContact O-N 2.96Å; A891-L893 VanDerWaalsContact C-N 3.29Å; A891-L893 PolarHBondContact O-N 3.42Å; A891-T894 WeakPolarHBondContact O-CB 3.38Å; A891-T894 PolarHBondContact O-N 2.82Å; A891-D895 PolarHBondContact O-N 3.5Å
892Q87Confident84.6Confident75 Ų7559.3 Ų59.335%0.3535%0.346SS..Hα-helixtrans-58.7-37.4176.3-69.8178.7-11.700113.1D879 I884 G888 L889 T894 S896D879-Q892 PolarHBondContact OD1-NE2 2.82Å; D879-Q892 PolarHBondContact OD2-NE2 2.7Å; D879-Q892 PolarHBondContact OD2-OE1 3.33Å; I884-Q892 HydrophobicContact CD1-CG 4.45Å; I884-Q892 VanDerWaalsContact CD1-NE2 3.31Å; G888-Q892 WeakPolarHBondContact O-CG 3.49Å; G888-Q892 PolarHBondContact O-N 2.88Å; G888-Q892 VanDerWaalsContact O-N 3.08Å; L889-Q892 PolarHBondContact O-N 2.63Å; Q892-T894 VanDerWaalsContact C-N 3.33Å; Q892-S896 PolarHBondContact O-N 3.11Å
893L85.1Confident84.1Confident12 Ų1256 Ų566%0.06333%0.326CS..Hα-helixtrans-66.2-36.8174.4-70.8178.7000112.3L889 H890 A891 S896 L898 V903 A906 K907 Q910L889-L893 PolarHBondContact O-N 3.38Å; H890-L893 PolarHBondContact O-N 3.11Å; A891-L893 VanDerWaalsContact C-N 3.29Å; A891-L893 PolarHBondContact O-N 3.42Å; L893-S896 WeakPolarHBondContact O-CB 3.37Å; L893-S896 PolarHBondContact O-N 3.2Å; L893-S896 PolarHBondContact O-OG 3.41Å; L893-L898 HydrophobicContact CD2-CD1 3.79Å; L893-V903 HydrophobicContact CB-CG1 4.36Å; L893-A906 HydrophobicContact CD1-CB 3.59Å; L893-A906 HydrophobicContact CD2-CB 3.93Å; L893-A906 HydrophobicContact CG-CB 4.42Å; L893-K907 HydrophobicContact CD1-CG 3.82Å; L893-Q910 VanDerWaalsContact CD1-CD 3.48Å; L893-Q910 HydrophobicContact CD1-CG 4.48Å
894T79.8Confident83.8Confident89 Ų8959.8 Ų59.855%0.54634%0.338SS..Hα-helixtrans-70.8-35.1-178.4-52.50000111.5H890 A891 Q892 S896H890-T894 PolarHBondContact O-N 2.85Å; H890-T894 PolarHBondContact O-OG1 3Å; A891-T894 WeakPolarHBondContact O-CB 3.38Å; A891-T894 PolarHBondContact O-N 2.82Å; Q892-T894 VanDerWaalsContact C-N 3.33Å; T894-S896 PolarHBondContact O-N 3.23Å
895D74.9Confident83.3Confident133 Ų13363.3 Ų63.371%0.71135%0.353SS*.THydrogen-bonded Turntrans-79.6-1.5176.4-69-15000113.6A891A891-D895 PolarHBondContact O-N 3.5Å
896S75.8Confident82.8Confident37 Ų3761.1 Ų61.126%0.25934%0.338SS..SBendtrans-83.4173.1-176.582.20000113.6R404 Q892 L893 T894 L898R404-S896 PolarHBondContact NH1-O 2.93Å; R404-S896 VanDerWaalsContact NH1-O 3.11Å; Q892-S896 PolarHBondContact O-N 3.11Å; L893-S896 WeakPolarHBondContact O-CB 3.37Å; L893-S896 PolarHBondContact O-N 3.2Å; L893-S896 PolarHBondContact O-OG 3.41Å; T894-S896 PolarHBondContact O-N 3.23Å; S896-L898 VanDerWaalsContact C-N 3.27Å; S896-L898 PolarHBondContact O-N 3.44Å; S896-L898 WeakPolarHBondContact OG-CB 3.45Å; S896-L898 VanDerWaalsContact OG-CD1 3.31Å; S896-L898 WeakPolarHBondContact OG-CD1 3.38Å; S896-L898 VanDerWaalsContact OG-CG 3.25Å; S896-L898 WeakPolarHBondContact OG-CG 3.24Å; S896-L898 PolarHBondContact OG-N 2.71Å
897N70.5Confident82.7Confident62 Ų6262.5 Ų62.533%0.33234%0.343SS..SBendtrans-91.122.5173.6-68-4.3000112.6V397 R404V397-N897 PolarHBondContact O-ND2 2.96Å; R404-N897 PolarHBondContact NH1-OD1 2.96Å; R404-N897 PolarHBondContact NH2-OD1 3.21Å
898L73.9Confident82.4Confident25 Ų2562.9 Ų62.913%0.13135%0.345CS..  trans-73.8152.4-179.7-74.8168.9000112.1K869 S870 G872 L893 S896 E902 V903K869-L898 WeakPolarHBondContact O-CD2 3.35Å; S870-L898 VanDerWaalsContact C-CD2 3.45Å; S870-L898 VanDerWaalsContact O-CD2 3.23Å; S870-L898 WeakPolarHBondContact O-CD2 3.49Å; G872-L898 VanDerWaalsContact CA-CD1 3.47Å; L893-L898 HydrophobicContact CD2-CD1 3.79Å; S896-L898 VanDerWaalsContact C-N 3.27Å; S896-L898 PolarHBondContact O-N 3.44Å; S896-L898 WeakPolarHBondContact OG-CB 3.45Å; S896-L898 VanDerWaalsContact OG-CD1 3.31Å; S896-L898 WeakPolarHBondContact OG-CD1 3.38Å; S896-L898 VanDerWaalsContact OG-CG 3.25Å; S896-L898 WeakPolarHBondContact OG-CG 3.24Å; S896-L898 PolarHBondContact OG-N 2.71Å; L898-E902 HydrophobicContact CD2-CB 4.48Å; L898-V903 HydrophobicContact CB-CG2 3.59Å; L898-V903 HydrophobicContact CD1-CG2 4.36Å
899D72Confident82Confident94 Ų9462.8 Ų62.850%0.50334%0.344SS..  trans-64.4139.6168.3-174.6-83000109.9V901 E902 V903D899-V901 PolarHBondContact O-N 2.74Å; D899-V901 VanDerWaalsContact O-N 3.1Å; D899-V901 VanDerWaalsContact OD1-CB 3.3Å; D899-V901 WeakPolarHBondContact OD1-CB 3.41Å; D899-V901 WeakPolarHBondContact OD1-CG2 3.25Å; D899-V901 PolarHBondContact OD1-N 3.11Å; D899-E902 HydrophobicContact CB-CB 4.42Å; D899-E902 HydrophobicContact CB-CG 4.43Å; D899-E902 PolarHBondContact O-N 2.74Å; D899-V903 PolarHBondContact O-N 3.18Å
900P76.6Confident81.9Confident100 Ų10063.6 Ų63.665%0.64935%0.348SS*.Hα-helixtrans-52.5-33.5-179.9-28.335.5000114.5V903 E904P900-V903 PolarHBondContact O-N 3.35Å; P900-E904 PolarHBondContact O-N 3.38Å
901V76.8Confident81.7Confident105 Ų10567.8 Ų67.864%0.63637%0.365SS*.Hα-helixtrans-69.1-41.9177.2-179.70000111D899 V903 E904 K905D899-V901 PolarHBondContact O-N 2.74Å; D899-V901 VanDerWaalsContact O-N 3.1Å; D899-V901 VanDerWaalsContact OD1-CB 3.3Å; D899-V901 WeakPolarHBondContact OD1-CB 3.41Å; D899-V901 WeakPolarHBondContact OD1-CG2 3.25Å; D899-V901 PolarHBondContact OD1-N 3.11Å; V901-V903 VanDerWaalsContact C-N 3.34Å; V901-E904 PolarHBondContact O-N 2.81Å; V901-K905 PolarHBondContact O-N 3.5Å
902E79.9Confident81.5Confident48 Ų4869.6 Ų69.622%0.22438%0.375CS..Hα-helixtrans-70.2-31.7176.9-70.4-61.9145.800111.7L898 D899 K905 A906L898-E902 HydrophobicContact CD2-CB 4.48Å; D899-E902 HydrophobicContact CB-CB 4.42Å; D899-E902 HydrophobicContact CB-CG 4.43Å; D899-E902 PolarHBondContact O-N 2.74Å; E902-K905 PolarHBondContact O-N 3.14Å; E902-K905 IonicContact OE1-NZ 3Å; E902-K905 IonicContact OE2-NZ 3.35Å; E902-A906 WeakPolarHBondContact O-CB 3.37Å; E902-A906 PolarHBondContact O-N 2.73Å
903V84.6Confident81.4Confident15 Ų1568 Ų689%0.09137%0.369CS..Hα-helixtrans-58.9-49.7172.5171.60000111L893 L898 D899 P900 V901 K905 A906 K907L893-V903 HydrophobicContact CB-CG1 4.36Å; L898-V903 HydrophobicContact CB-CG2 3.59Å; L898-V903 HydrophobicContact CD1-CG2 4.36Å; D899-V903 PolarHBondContact O-N 3.18Å; P900-V903 PolarHBondContact O-N 3.35Å; V901-V903 VanDerWaalsContact C-N 3.34Å; V903-K905 VanDerWaalsContact C-N 3.34Å; V903-K905 PolarHBondContact O-N 3.25Å; V903-A906 PolarHBondContact O-N 3.25Å; V903-K907 HydrophobicContact CG1-CD 4.34Å; V903-K907 WeakPolarHBondContact O-CG 3.35Å; V903-K907 PolarHBondContact O-N 3Å
904E85.4Confident81.5Confident97 Ų9768.6 Ų68.645%0.45337%0.37SS..Hα-helixtrans-66.4-37.4-178.7-70.3-56.1120.700112.3P900 V901 K907 Q908P900-E904 PolarHBondContact O-N 3.38Å; V901-E904 PolarHBondContact O-N 2.81Å; E904-K907 PolarHBondContact O-N 2.82Å; E904-K907 IonicContact OE1-NZ 3.69Å; E904-K907 PolarHBondContact OE1-NZ 3.4Å; E904-Q908 WeakPolarHBondContact O-CG 3.29Å; E904-Q908 PolarHBondContact O-N 3.32Å; E904-Q908 VanDerWaalsContact O-N 3.09Å
905K84.4Confident81.9Confident106 Ų10668.1 Ų68.146%0.46137%0.369SS..Hα-helixtrans-65.1-41.1173.5-171.5-179.2176.3-170.80112.1V901 E902 V903 Q908 G909V901-K905 PolarHBondContact O-N 3.5Å; E902-K905 PolarHBondContact O-N 3.14Å; E902-K905 IonicContact OE1-NZ 3Å; E902-K905 IonicContact OE2-NZ 3.35Å; V903-K905 VanDerWaalsContact C-N 3.34Å; V903-K905 PolarHBondContact O-N 3.25Å; K905-Q908 PolarHBondContact O-N 3.46Å; K905-G909 PolarHBondContact O-N 3.41Å
906A85.1Confident82.6Confident11 Ų1169.1 Ų69.19%0.09137%0.374CS..Hα-helixtrans-66.7-41.3177.100000111.7L893 E902 V903 Q908 G909 Q910L893-A906 HydrophobicContact CD1-CB 3.59Å; L893-A906 HydrophobicContact CD2-CB 3.93Å; L893-A906 HydrophobicContact CG-CB 4.42Å; E902-A906 WeakPolarHBondContact O-CB 3.37Å; E902-A906 PolarHBondContact O-N 2.73Å; V903-A906 PolarHBondContact O-N 3.25Å; A906-Q908 VanDerWaalsContact C-N 3.35Å; A906-Q908 PolarHBondContact O-N 3.29Å; A906-G909 PolarHBondContact O-N 3.27Å; A906-G909 VanDerWaalsContact O-N 3.17Å; A906-Q910 WeakPolarHBondContact O-CG 3.47Å; A906-Q910 PolarHBondContact O-N 2.65Å
907K89Confident83.3Confident48 Ų4867.8 Ų67.821%0.20937%0.366CS..Hα-helixtrans-59-43.6173-72.8177.8-175.5163.70112.2L893 V903 E904 G909 Q910 K911L893-K907 HydrophobicContact CD1-CG 3.82Å; V903-K907 HydrophobicContact CG1-CD 4.34Å; V903-K907 WeakPolarHBondContact O-CG 3.35Å; V903-K907 PolarHBondContact O-N 3Å; E904-K907 PolarHBondContact O-N 2.82Å; E904-K907 IonicContact OE1-NZ 3.69Å; E904-K907 PolarHBondContact OE1-NZ 3.4Å; K907-G909 VanDerWaalsContact C-N 3.32Å; K907-G909 PolarHBondContact O-N 3.4Å; K907-Q910 PolarHBondContact O-N 3.02Å; K907-K911 VanDerWaalsContact O-CB 3.3Å; K907-K911 WeakPolarHBondContact O-CB 3.38Å; K907-K911 PolarHBondContact O-N 2.82Å
908Q86.4Confident84.3Confident141 Ų14165 Ų6566%0.65935%0.352SS*.Hα-helixtrans-62.3-41175.7-71.8176.714.700111.9E904 K905 A906 S912E904-Q908 WeakPolarHBondContact O-CG 3.29Å; E904-Q908 PolarHBondContact O-N 3.32Å; E904-Q908 VanDerWaalsContact O-N 3.09Å; K905-Q908 PolarHBondContact O-N 3.46Å; A906-Q908 VanDerWaalsContact C-N 3.35Å; A906-Q908 PolarHBondContact O-N 3.29Å; Q908-S912 WeakPolarHBondContact O-CB 3.36Å; Q908-S912 PolarHBondContact O-N 2.82Å; Q908-S912 VanDerWaalsContact O-N 3.09Å
909G84.1Confident85.2Confident21 Ų2166.2 Ų66.222%0.21636%0.361CS..Hα-helixtrans-60.9-53.8173.400000112.4K905 A906 K907 K911 S912 D913K905-G909 PolarHBondContact O-N 3.41Å; A906-G909 PolarHBondContact O-N 3.27Å; A906-G909 VanDerWaalsContact O-N 3.17Å; K907-G909 VanDerWaalsContact C-N 3.32Å; K907-G909 PolarHBondContact O-N 3.4Å; G909-K911 VanDerWaalsContact C-N 3.29Å; G909-K911 PolarHBondContact O-N 3.19Å; G909-S912 WeakPolarHBondContact O-CA 3.42Å; G909-S912 WeakPolarHBondContact O-CB 3.31Å; G909-S912 PolarHBondContact O-N 2.97Å; G909-D913 PolarHBondContact O-N 3.15Å
910Q87.3Confident86.2Confident20 Ų2063.3 Ų63.39%0.09334%0.344CS..Hα-helixtrans-57.4-40.8178.2-73.8179.2-16.500112.3L886 L889 H890 L893 A906 K907 S912 D913 Y914L886-Q910 HydrophobicContact CD1-CB 4.32Å; L889-Q910 PolarHBondContact O-OE1 2.85Å; H890-Q910 PolarHBondContact CD2-OE1 2.91Å; L893-Q910 VanDerWaalsContact CD1-CD 3.48Å; L893-Q910 HydrophobicContact CD1-CG 4.48Å; A906-Q910 WeakPolarHBondContact O-CG 3.47Å; A906-Q910 PolarHBondContact O-N 2.65Å; K907-Q910 PolarHBondContact O-N 3.02Å; Q910-S912 VanDerWaalsContact C-N 3.31Å; Q910-S912 PolarHBondContact O-N 2.87Å; Q910-D913 PolarHBondContact O-N 3.17Å; Q910-Y914 CarbonylContact O-C 3.52Å; Q910-Y914 WeakPolarHBondContact O-CA 3.45Å; Q910-Y914 WeakPolarHBondContact O-CB 3.4Å; Q910-Y914 PolarHBondContact O-N 2.9Å
911K87.8Confident87.1Confident136 Ų13658.6 Ų58.659%0.59131%0.313SS*.Hα-helixtrans-65.8-33.4176.2-175.8174.3-177.6176.40113L886 K907 G909 P915L886-K911 HydrophobicContact CD1-CB 4.45Å; L886-K911 HydrophobicContact CD2-CB 4.39Å; L886-K911 HydrophobicContact CD2-CG 4.16Å; K907-K911 VanDerWaalsContact O-CB 3.3Å; K907-K911 WeakPolarHBondContact O-CB 3.38Å; K907-K911 PolarHBondContact O-N 2.82Å; G909-K911 VanDerWaalsContact C-N 3.29Å; G909-K911 PolarHBondContact O-N 3.19Å; K911-P915 WeakPolarHBondContact O-CA 3.35Å
912S86.1Confident88.1Confident87 Ų8753.6 Ų53.661%0.60828%0.283SS*.Hα-helixtrans-72.4-45.6176.2175.80000111.4Q908 G909 Q910Q908-S912 WeakPolarHBondContact O-CB 3.36Å; Q908-S912 PolarHBondContact O-N 2.82Å; Q908-S912 VanDerWaalsContact O-N 3.09Å; G909-S912 WeakPolarHBondContact O-CA 3.42Å; G909-S912 WeakPolarHBondContact O-CB 3.31Å; G909-S912 PolarHBondContact O-N 2.97Å; Q910-S912 VanDerWaalsContact C-N 3.31Å; Q910-S912 PolarHBondContact O-N 2.87Å
913D83.5Confident88.9Confident41 Ų4151.3 Ų51.322%0.21927%0.272CS..Hα-helixtrans-82.7-34.7-172.5-63.8-19.1000112.2H863 G909 Q910H863-D913 IonicContact CD2-OD2 2.84Å; H863-D913 IonicContact CE1-OD1 3.61Å; H863-D913 IonicContact NE2-OD1 2.66Å; H863-D913 PolarHBondContact NE2-OD1 3.03Å; H863-D913 IonicContact NE2-OD2 3.16Å; H863-D913 PolarHBondContact NE2-OD2 2.86Å; G909-D913 PolarHBondContact O-N 3.15Å; Q910-D913 PolarHBondContact O-N 3.17Å
914Y88Confident89.6Confident24 Ų2450.6 Ų50.69%0.09427%0.268CS..  trans-131.462.9-174.7-49-61.5000111.3I875 L889 Q910 N916 G917 I918 V944I875-Y914 HydrophobicContact CD1-CE2 4.01Å; I875-Y914 WeakPolarHBondContact CD1-OH 3.29Å; L889-Y914 HydrophobicContact CD1-CD2 4.33Å; Q910-Y914 CarbonylContact O-C 3.52Å; Q910-Y914 WeakPolarHBondContact O-CA 3.45Å; Q910-Y914 WeakPolarHBondContact O-CB 3.4Å; Q910-Y914 PolarHBondContact O-N 2.9Å; Y914-N916 PolarHBondContact O-N 3.43Å; Y914-G917 PolarHBondContact O-N 3.24Å; Y914-I918 HydrophobicContact CD1-CG1 3.75Å; Y914-I918 HydrophobicContact CD2-CD1 4.41Å; Y914-I918 HydrophobicContact CD2-CG1 4.23Å; Y914-I918 HydrophobicContact CE1-CG1 4.11Å; Y914-I918 HydrophobicContact CE2-CD1 4.4Å; Y914-I918 HydrophobicContact CG-CG1 3.84Å; Y914-V944 HydrophobicContact CE1-CB 3.98Å; Y914-V944 HydrophobicContact CE1-CG2 3.75Å
915P88.4Confident90.2Very high79 Ų7946 Ų4651%0.51325%0.246SC..THydrogen-bonded Turntrans-59.8-24-173.723.5-34.8000114.2K911K911-P915 WeakPolarHBondContact O-CA 3.35Å
916N88.3Confident90.8Very high154 Ų15440.9 Ų40.982%0.82423%0.225SC*.THydrogen-bonded Turntrans-11214.8177.2-57.5-41.6000112.5Y914Y914-N916 PolarHBondContact O-N 3.43Å
917G90.9Very high91.4Very high9 Ų940.4 Ų40.49%0.09322%0.22CC..  trans81-173.5-166.700000113.2I884 Y914I884-G917 CarbonylContact O-C 3.57Å; I884-G917 VanDerWaalsContact O-CA 3.24Å; I884-G917 WeakPolarHBondContact O-CA 3.37Å; Y914-G917 PolarHBondContact O-N 3.24Å
918I92.5Very high91.8Very high5 Ų538.2 Ų38.23%0.02621%0.211CC..BIsolated β-bridgetrans-95125177-68.8169000108.5I875 D879 V880 G883 I884 L889 Y914 V944I875-I918 HydrophobicContact CG2-CD1 3.85Å; D879-I918 HydrophobicContact CB-CD1 4.42Å; D879-I918 WeakPolarHBondContact O-CG2 3.39Å; V880-I918 HydrophobicContact CG2-CG2 4.25Å; G883-I918 VanDerWaalsContact CA-O 3.26Å; G883-I918 WeakPolarHBondContact CA-O 3.3Å; I884-I918 HydrophobicContact CG2-CB 3.92Å; I884-I918 HydrophobicContact CG2-CD1 4.23Å; I884-I918 HydrophobicContact CG2-CG1 4.38Å; I884-I918 PolarHBondContact N-O 3.41Å; I884-I918 PolarHBondContact O-N 2.92Å; L889-I918 HydrophobicContact CD1-CD1 4.31Å; L889-I918 HydrophobicContact CD1-CG1 4.26Å; L889-I918 HydrophobicContact CD2-CD1 4.2Å; Y914-I918 HydrophobicContact CD1-CG1 3.75Å; Y914-I918 HydrophobicContact CD2-CD1 4.41Å; Y914-I918 HydrophobicContact CD2-CG1 4.23Å; Y914-I918 HydrophobicContact CE1-CG1 4.11Å; Y914-I918 HydrophobicContact CE2-CD1 4.4Å; Y914-I918 HydrophobicContact CG-CG1 3.84Å; I918-V944 HydrophobicContact CG2-CG1 3.91Å
919P92.4Very high92.2Very high50 Ų5031.5 Ų31.533%0.32518%0.179SC..PPolyproline II helixtrans-69.7147.5177.429.9-34.5000110.8C921 L948P919-C921 PolarHBondContact O-N 3.04Å; P919-C921 PolarHBondContact O-SG 3.16Å; P919-C921 VanDerWaalsContact O-SG 3.34Å; P919-L948 HydrophobicContact CB-CD1 4.39Å; P919-L948 HydrophobicContact CG-CD1 4.36Å; P919-L948 HydrophobicContact CG-CD2 4.27Å
920E93.7Very high92.8Very high33 Ų3330.5 Ų30.515%0.15417%0.169CC..PPolyproline II helixtrans-57.9126.6169.3-176.1-168.4-112.700109.4Q309 I881 R951Q309-E920 WeakPolarHBondContact CG-OE1 3.33Å; Q309-E920 PolarHBondContact NE2-OE1 3.05Å; I881-E920 VanDerWaalsContact O-CG 3.26Å; I881-E920 WeakPolarHBondContact O-CG 3.29Å; E920-R951 VanDerWaalsContact C-NH1 3.31Å; E920-R951 WeakPolarHBondContact O-CD 3.26Å; E920-R951 PolarHBondContact O-NH1 3.15Å; E920-R951 IonicContact OE2-CZ 3.3Å; E920-R951 IonicContact OE2-NH1 3.48Å; E920-R951 PolarHBondContact OE2-NH1 2.5Å; E920-R951 IonicContact OE2-NH2 2.66Å; E920-R951 PolarHBondContact OE2-NH2 3.03Å
921C94.9Very high93.1Very high0 Ų029.6 Ų29.60%017%0.165CC..  trans-115.6-29.3178-66.10000113.1V880 P919 A925 I947V880-C921 HydrophobicContact CG1-CB 4.04Å; V880-C921 WeakPolarHBondContact O-CB 3.18Å; V880-C921 PolarHBondContact O-N 3.28Å; P919-C921 PolarHBondContact O-N 3.04Å; P919-C921 PolarHBondContact O-SG 3.16Å; P919-C921 VanDerWaalsContact O-SG 3.34Å; C921-A925 HydrophobicContact CB-CB 4.37Å; C921-A925 WeakPolarHBondContact O-CB 3.22Å; C921-I947 HydrophobicContact CB-CG2 3.76Å
922G96.6Very high93.4Very high0 Ų023.3 Ų23.30%014%0.139CC..  trans82.6162.1-168.500000113.6E312 I881 L926E312-G922 WeakPolarHBondContact OE1-CA 3.25Å; I881-G922 PolarHBondContact O-N 3.1Å; G922-L926 PolarHBondContact O-N 3.21Å
923T98.1Very high93.5Very high0 Ų019.5 Ų19.50%011%0.111CC..Hα-helixtrans-68.2-44.9-175.6-60.20000112.4E312 K439 L440 I881 A925 L926 R927 F1075E312-T923 WeakPolarHBondContact OE1-CB 3.5Å; E312-T923 PolarHBondContact OE1-N 3.06Å; E312-T923 PolarHBondContact OE1-OG1 3.25Å; E312-T923 PolarHBondContact OE2-OG1 3.22Å; K439-T923 WeakPolarHBondContact O-CG2 3.32Å; K439-T923 PolarHBondContact O-OG1 3.42Å; L440-T923 VanDerWaalsContact C-CG2 3.46Å; L440-T923 WeakPolarHBondContact O-CG2 3.5Å; I881-T923 WeakPolarHBondContact CG2-OG1 3.42Å; T923-A925 PolarHBondContact O-N 2.93Å; T923-L926 PolarHBondContact O-N 2.92Å; T923-R927 HydrophobicContact CG2-CG 4.31Å; T923-R927 WeakPolarHBondContact O-CG 3.26Å; T923-R927 PolarHBondContact O-N 3.32Å; T923-F1075 HydrophobicContact CG2-CD2 4.06Å; T923-F1075 HydrophobicContact CG2-CE2 3.65Å
924D98.4Very high93.5Very high0 Ų018.5 Ų18.50%011%0.106CC..Hα-helixtrans-63.8-41.3-178.5-71.8-30.2000112.4R927 F928 M1073 P1074 F1075 V1076D924-R927 PolarHBondContact O-N 2.98Å; D924-F928 WeakPolarHBondContact O-CB 3.45Å; D924-F928 PolarHBondContact O-N 3.43Å; D924-M1073 HydrophobicContact CB-CB 3.74Å; D924-M1073 HydrophobicContact CB-CG 3.84Å; D924-M1073 HydrophobicContact CB-SD 4.31Å; D924-M1073 WeakPolarHBondContact OD1-CA 3.5Å; D924-P1074 WeakPolarHBondContact OD1-CD 3.43Å; D924-F1075 PolarHBondContact OD1-N 2.85Å; D924-F1075 VanDerWaalsContact OD1-N 3.1Å; D924-F1075 WeakPolarHBondContact OD2-CB 3.27Å; D924-F1075 PolarHBondContact OD2-N 3.49Å; D924-V1076 HydrophobicContact CB-CG1 4.37Å; D924-V1076 VanDerWaalsContact OD2-CB 3.28Å; D924-V1076 WeakPolarHBondContact OD2-CB 3.38Å; D924-V1076 VanDerWaalsContact OD2-CG1 3.31Å; D924-V1076 WeakPolarHBondContact OD2-CG1 3.42Å; D924-V1076 PolarHBondContact OD2-N 3.05Å
925A97.8Very high92.6Very high0 Ų021.1 Ų21.10%013%0.128CC..Hα-helixtrans-63.3-43.3176.800000111.2C921 T923 A929 I947 R951C921-A925 HydrophobicContact CB-CB 4.37Å; C921-A925 WeakPolarHBondContact O-CB 3.22Å; T923-A925 PolarHBondContact O-N 2.93Å; A925-A929 VanDerWaalsContact O-CB 3.26Å; A925-A929 WeakPolarHBondContact O-CB 3.38Å; A925-A929 PolarHBondContact O-N 2.73Å; A925-I947 HydrophobicContact CB-CG2 4.18Å; A925-R951 HydrophobicContact CB-CB 4.27Å
926L97.4Very high91.4Very high0 Ų021.2 Ų21.20%012%0.122CC..Hα-helixtrans-59.8-51.9175.6174.159.8000111.5L358 A361 L440 P877 V880 I881 G922 T923 F928 A929 L930 I947L358-L926 HydrophobicContact CD2-CD1 4.02Å; L358-L926 HydrophobicContact CD2-CD2 4.45Å; A361-L926 HydrophobicContact CB-CD2 4.48Å; L440-L926 HydrophobicContact CD2-CD2 3.84Å; P877-L926 HydrophobicContact CB-CD2 4.14Å; V880-L926 HydrophobicContact CG1-CD1 4.19Å; I881-L926 HydrophobicContact CD1-CD2 4.24Å; I881-L926 HydrophobicContact CG1-CD2 3.98Å; G922-L926 PolarHBondContact O-N 3.21Å; T923-L926 PolarHBondContact O-N 2.92Å; L926-F928 PolarHBondContact O-N 3.05Å; L926-A929 PolarHBondContact O-N 2.83Å; L926-L930 HydrophobicContact CD1-CD1 3.64Å; L926-L930 HydrophobicContact CD1-CG 3.96Å; L926-L930 HydrophobicContact CG-CD1 3.84Å; L926-L930 VanDerWaalsContact O-CG 3.23Å; L926-L930 WeakPolarHBondContact O-CG 3.48Å; L926-L930 PolarHBondContact O-N 2.9Å; L926-I947 HydrophobicContact CB-CG2 4.28Å; L926-I947 HydrophobicContact CD1-CD1 3.82Å
927R97.9Very high90.4Very high1 Ų116.3 Ų16.30%0.00411%0.107CC..Hα-helixtrans-60.8-47.2-178.7-70.917262.41291.3112.7A365 D368 L440 G441 T923 D924 A929 L930 C931 P1071 L1072A365-R927 HydrophobicContact CB-CB 4.26Å; A365-R927 HydrophobicContact CB-CG 4.25Å; D368-R927 IonicContact OD2-CZ 3.69Å; D368-R927 IonicContact OD2-NH1 2.86Å; D368-R927 PolarHBondContact OD2-NH1 2.83Å; D368-R927 IonicContact OD2-NH2 2.72Å; D368-R927 PolarHBondContact OD2-NH2 3.21Å; L440-R927 WeakPolarHBondContact O-CD 3.17Å; L440-R927 PolarHBondContact O-NH1 3.18Å; G441-R927 PolarHBondContact O-NH1 3.11Å; T923-R927 HydrophobicContact CG2-CG 4.31Å; T923-R927 WeakPolarHBondContact O-CG 3.26Å; T923-R927 PolarHBondContact O-N 3.32Å; D924-R927 PolarHBondContact O-N 2.98Å; R927-A929 VanDerWaalsContact C-N 3.33Å; R927-A929 PolarHBondContact O-N 2.89Å; R927-L930 PolarHBondContact O-N 2.81Å; R927-C931 PolarHBondContact O-N 3.42Å; R927-C931 PolarHBondContact O-SG 3.17Å; R927-P1071 PolarHBondContact NH2-O 2.95Å; R927-L1072 WeakPolarHBondContact CB-O 3.32Å; R927-L1072 PolarHBondContact NE-O 2.96Å; R927-L1072 VanDerWaalsContact NE-O 3.12Å
928F97.7Very high89.5Confident1 Ų123.7 Ų23.70%0.00413%0.132CC..Hα-helixtrans-63.4-41.9179.9-167.2-83.1000111.4D924 L926 C931 A932 Y950 F953 T1015 Y1019 L1069 L1072 M1073D924-F928 WeakPolarHBondContact O-CB 3.45Å; D924-F928 PolarHBondContact O-N 3.43Å; L926-F928 PolarHBondContact O-N 3.05Å; F928-C931 PolarHBondContact O-N 2.83Å; F928-A932 WeakPolarHBondContact O-CB 3.46Å; F928-A932 PolarHBondContact O-N 3.24Å; F928-Y950 AromaticContact CD1-CD1 3.36Å; F928-Y950 HydrophobicContact CD1-CD1 3.36Å; F928-Y950 HydrophobicContact CD1-CD2 4.35Å; F928-Y950 AromaticContact CD1-CE1 3.42Å; F928-Y950 HydrophobicContact CD1-CE1 3.42Å; F928-Y950 VanDerWaalsContact CD1-CE1 3.42Å; F928-Y950 HydrophobicContact CD1-CE2 4.36Å; F928-Y950 AromaticContact CD1-CG 3.86Å; F928-Y950 HydrophobicContact CD1-CG 3.86Å; F928-Y950 AromaticContact CD1-CZ 3.92Å; F928-Y950 AromaticContact CE1-CD1 3.62Å; F928-Y950 HydrophobicContact CE1-CD1 3.62Å; F928-Y950 AromaticContact CE1-CE1 3.32Å; F928-Y950 HydrophobicContact CE1-CE1 3.32Å; F928-Y950 HydrophobicContact CG-CD1 4.43Å; F928-F953 HydrophobicContact CE2-CE1 4.3Å; F928-F953 HydrophobicContact CZ-CE1 4.27Å; F928-T1015 HydrophobicContact CD1-CG2 4.41Å; F928-T1015 HydrophobicContact CD2-CG2 4.31Å; F928-T1015 HydrophobicContact CE1-CG2 4.2Å; F928-T1015 HydrophobicContact CE2-CG2 4.11Å; F928-T1015 HydrophobicContact CG-CG2 4.47Å; F928-T1015 HydrophobicContact CZ-CG2 4.06Å; F928-T1015 WeakPolarHBondContact CZ-O 3.14Å; F928-Y1019 HydrophobicContact CE1-CD2 4.41Å; F928-L1069 HydrophobicContact CD2-CD1 3.91Å; F928-L1069 HydrophobicContact CE2-CD1 3.61Å; F928-L1072 HydrophobicContact CD2-CB 3.99Å; F928-L1072 HydrophobicContact CD2-CD1 4.11Å; F928-L1072 HydrophobicContact CE2-CD1 3.95Å; F928-M1073 HydrophobicContact CB-CE 3.3Å; F928-M1073 HydrophobicContact CB-CG 4.06Å; F928-M1073 HydrophobicContact CB-SD 4.47Å; F928-M1073 HydrophobicContact CD1-CE 4.16Å; F928-M1073 HydrophobicContact CD2-CE 3.57Å; F928-M1073 HydrophobicContact CD2-CG 3.93Å; F928-M1073 HydrophobicContact CD2-SD 4.12Å; F928-M1073 HydrophobicContact CE2-CE 4.4Å; F928-M1073 HydrophobicContact CG-CE 3.41Å; F928-M1073 VanDerWaalsContact CG-CE 3.41Å; F928-M1073 HydrophobicContact CG-CG 4.42Å
929A95.4Very high88.9Confident0 Ų025.7 Ų25.70%014%0.143CC..Hα-helixtrans-59.2-50.6175.200000111.4A925 L926 R927 C931 A932 Y933 I947 Y950A925-A929 VanDerWaalsContact O-CB 3.26Å; A925-A929 WeakPolarHBondContact O-CB 3.38Å; A925-A929 PolarHBondContact O-N 2.73Å; L926-A929 PolarHBondContact O-N 2.83Å; R927-A929 VanDerWaalsContact C-N 3.33Å; R927-A929 PolarHBondContact O-N 2.89Å; A929-C931 VanDerWaalsContact C-N 3.32Å; A929-C931 PolarHBondContact O-N 3.44Å; A929-A932 PolarHBondContact O-N 3.4Å; A929-A932 VanDerWaalsContact O-N 3.13Å; A929-Y933 HydrophobicContact CB-CD2 4.42Å; A929-Y933 HydrophobicContact CB-CE2 4.49Å; A929-Y933 WeakPolarHBondContact O-CD2 3.44Å; A929-Y933 PolarHBondContact O-N 3.04Å; A929-I947 HydrophobicContact CB-CB 4.3Å; A929-I947 HydrophobicContact CB-CG1 3.8Å; A929-I947 HydrophobicContact CB-CG2 4.33Å; A929-Y950 HydrophobicContact CB-CD2 3.57Å; A929-Y950 HydrophobicContact CB-CE2 3.88Å
930L94.8Very high88.4Confident1 Ų123.3 Ų23.31%0.00513%0.128CC..Hα-helixtrans-59-43.1-178.3-70.7169.1000111.9A361 L362 A365 L926 R927 Y933 L942A361-L930 HydrophobicContact CB-CD1 3.72Å; L362-L930 HydrophobicContact CB-CD2 4.25Å; L362-L930 HydrophobicContact CD1-CB 3.88Å; L362-L930 WeakPolarHBondContact CD1-O 3.19Å; A365-L930 HydrophobicContact CB-CB 4.37Å; A365-L930 HydrophobicContact CB-CD1 4.48Å; L926-L930 HydrophobicContact CD1-CD1 3.64Å; L926-L930 HydrophobicContact CD1-CG 3.96Å; L926-L930 HydrophobicContact CG-CD1 3.84Å; L926-L930 VanDerWaalsContact O-CG 3.23Å; L926-L930 WeakPolarHBondContact O-CG 3.48Å; L926-L930 PolarHBondContact O-N 2.9Å; R927-L930 PolarHBondContact O-N 2.81Å; L930-Y933 PolarHBondContact O-N 3.43Å; L930-L942 HydrophobicContact CD2-CD1 3.98Å; L930-L942 HydrophobicContact CD2-CD2 4.19Å
931C95.3Very high87.9Confident1 Ų125.3 Ų25.31%0.00714%0.139CC..Hα-helixtrans-63.1-44.2174.7-66.50000111.8R927 F928 A929 Y933 T934 F1011 T1015 L1072R927-C931 PolarHBondContact O-N 3.42Å; R927-C931 PolarHBondContact O-SG 3.17Å; F928-C931 PolarHBondContact O-N 2.83Å; A929-C931 VanDerWaalsContact C-N 3.32Å; A929-C931 PolarHBondContact O-N 3.44Å; C931-Y933 VanDerWaalsContact C-N 3.28Å; C931-Y933 PolarHBondContact O-N 3.39Å; C931-T934 PolarHBondContact O-N 3.37Å; C931-T934 PolarHBondContact O-OG1 3.19Å; C931-F1011 HydrophobicContact CB-CB 4.11Å; C931-T1015 HydrophobicContact CB-CG2 3.82Å; C931-L1072 HydrophobicContact CB-CD2 3.8Å
932A93.2Very high87.2Confident4 Ų425.4 Ų25.43%0.03314%0.14CC..Hα-helixtrans-64.8-29.7178.300000113.5F928 A929 T934 S935 T1015F928-A932 WeakPolarHBondContact O-CB 3.46Å; F928-A932 PolarHBondContact O-N 3.24Å; A929-A932 PolarHBondContact O-N 3.4Å; A929-A932 VanDerWaalsContact O-N 3.13Å; A932-T934 VanDerWaalsContact C-N 3.32Å; A932-T934 PolarHBondContact O-N 3.02Å; A932-S935 PolarHBondContact O-OG 3.48Å; A932-S935 VanDerWaalsContact O-OG 3.09Å; A932-T1015 HydrophobicContact CB-CG2 4.19Å
933Y87.9Confident86.5Confident7 Ų728.7 Ų28.73%0.02716%0.157CC..Hα-helixtrans-74.7-15.5-178.8-93.3-70000114.7A929 L930 C931 S935 Q936 I940 L942 D943 R946A929-Y933 HydrophobicContact CB-CD2 4.42Å; A929-Y933 HydrophobicContact CB-CE2 4.49Å; A929-Y933 WeakPolarHBondContact O-CD2 3.44Å; A929-Y933 PolarHBondContact O-N 3.04Å; L930-Y933 PolarHBondContact O-N 3.43Å; C931-Y933 VanDerWaalsContact C-N 3.28Å; C931-Y933 PolarHBondContact O-N 3.39Å; Y933-S935 PolarHBondContact O-N 3.45Å; Y933-Q936 HydrophobicContact CD1-CG 4.42Å; Y933-Q936 PolarHBondContact O-N 2.9Å; Y933-Q936 VanDerWaalsContact O-N 3.13Å; Y933-I940 HydrophobicContact CD1-CG2 3.98Å; Y933-I940 HydrophobicContact CG-CG2 3.98Å; Y933-L942 HydrophobicContact CD2-CD1 3.41Å; Y933-L942 VanDerWaalsContact CD2-CD1 3.41Å; Y933-L942 HydrophobicContact CE2-CD1 3.41Å; Y933-L942 VanDerWaalsContact CE2-CD1 3.41Å; Y933-L942 HydrophobicContact CE2-CG 4.5Å; Y933-L942 HydrophobicContact CG-CD1 4.09Å; Y933-D943 PolarHBondContact OH-N 3.01Å; Y933-D943 PolarHBondContact OH-O 3.14Å; Y933-R946 VanDerWaalsContact CE1-NH1 3.33Å; Y933-R946 HydrophobicContact CE2-CB 4.1Å; Y933-R946 HydrophobicContact CE2-CG 4.28Å; Y933-R946 WeakPolarHBondContact OH-CB 3.34Å; Y933-R946 WeakPolarHBondContact OH-CD 3.23Å
934T83.1Confident85.8Confident20 Ų2028.8 Ų28.812%0.12316%0.158CC..G310 helixtrans-61.9-9-179.156.40000114L362 I366 C931 A932 Q936 I940 P1012L362-T934 HydrophobicContact CD1-CG2 3.94Å; I366-T934 HydrophobicContact CD1-CG2 4.04Å; C931-T934 PolarHBondContact O-N 3.37Å; C931-T934 PolarHBondContact O-OG1 3.19Å; A932-T934 VanDerWaalsContact C-N 3.32Å; A932-T934 PolarHBondContact O-N 3.02Å; T934-Q936 VanDerWaalsContact C-N 3.27Å; T934-Q936 PolarHBondContact O-N 3.33Å; T934-I940 HydrophobicContact CG2-CD1 4.36Å; T934-P1012 WeakPolarHBondContact OG1-CD 3.27Å; T934-P1012 WeakPolarHBondContact OG1-CG 3.28Å
935S70.9Confident85Confident79 Ų7933.5 Ų33.555%0.55218%0.183SC*.G310 helixtrans-67.4-14.9171.749.60000115.2A932 Y933 G937 P1012A932-S935 PolarHBondContact O-OG 3.48Å; A932-S935 VanDerWaalsContact O-OG 3.09Å; Y933-S935 PolarHBondContact O-N 3.45Å; S935-G937 PolarHBondContact O-N 3.09Å; S935-G937 VanDerWaalsContact O-N 3.15Å; S935-P1012 VanDerWaalsContact N-CG 3.34Å
936Q63.2Low84.3Confident81 Ų8138.2 Ų38.238%0.37920%0.201SC..G310 helixtrans-778.2-173.8-67.4-171.1-8.800115.3Y933 T934 I940Y933-Q936 HydrophobicContact CD1-CG 4.42Å; Y933-Q936 PolarHBondContact O-N 2.9Å; Y933-Q936 VanDerWaalsContact O-N 3.13Å; T934-Q936 VanDerWaalsContact C-N 3.27Å; T934-Q936 PolarHBondContact O-N 3.33Å; Q936-I940 HydrophobicContact CB-CG1 4.43Å
937G67.1Low84.1Confident50 Ų5038.2 Ų38.252%0.51520%0.201SC..THydrogen-bonded Turntrans84.2-130.8177.600000112.1A857 S935A857-G937 WeakPolarHBondContact CB-O 3.05Å; S935-G937 PolarHBondContact O-N 3.09Å; S935-G937 VanDerWaalsContact O-N 3.15Å
938R71Confident83.7Confident164 Ų16440.3 Ų40.362%0.61921%0.212SC*.THydrogen-bonded Turntrans-75.5-27.8-171.4-170.2175.2179.9178.22.4114H827 A857 V858H827-R938 VanDerWaalsContact CE1-CG 3.44Å; H827-R938 WeakPolarHBondContact CE1-CG 3.46Å; H827-R938 PolarHBondContact CE1-O 2.98Å; H827-R938 VanDerWaalsContact CE1-O 3.22Å; H827-R938 PolarHBondContact NE2-NE 2.74Å; A857-R938 VanDerWaalsContact CA-O 3.22Å; A857-R938 WeakPolarHBondContact CA-O 3.5Å; A857-R938 WeakPolarHBondContact CB-O 3.22Å; V858-R938 PolarHBondContact N-O 2.84Å; V858-R938 VanDerWaalsContact N-O 3.13Å
939D80.2Confident83.5Confident47 Ų4742 Ų4225%0.25123%0.229SC..EExtended strand (participates in β ladder)trans-132.9141.4-175.3-69.6-62.1000110.2V858 R860V858-D939 WeakPolarHBondContact O-CA 3.23Å; R860-D939 HydrophobicContact CG-CB 4.27Å; R860-D939 IonicContact CZ-OD1 3.34Å; R860-D939 VanDerWaalsContact CZ-OD1 3.26Å; R860-D939 IonicContact CZ-OD2 3.77Å; R860-D939 IonicContact NE-OD1 2.71Å; R860-D939 PolarHBondContact NE-OD1 3.44Å; R860-D939 IonicContact NE-OD2 3.69Å; R860-D939 PolarHBondContact NE-OD2 3.39Å; R860-D939 IonicContact NH2-OD1 3.65Å; R860-D939 PolarHBondContact NH2-OD1 2.97Å; R860-D939 IonicContact NH2-OD2 2.95Å; R860-D939 PolarHBondContact NH2-OD2 3.5Å
940I81.3Confident83.5Confident1 Ų143.3 Ų43.31%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-110.9115.4179.4-65.9166.5000109.5L362 A857 V858 R860 Y933 T934 Q936 L942L362-I940 HydrophobicContact CD1-CD1 4.46Å; L362-I940 HydrophobicContact CD2-CD1 3.6Å; A857-I940 HydrophobicContact CB-CD1 3.85Å; A857-I940 HydrophobicContact CB-CG1 3.81Å; V858-I940 PolarHBondContact O-N 3.01Å; R860-I940 PolarHBondContact N-O 3.38Å; Y933-I940 HydrophobicContact CD1-CG2 3.98Å; Y933-I940 HydrophobicContact CG-CG2 3.98Å; T934-I940 HydrophobicContact CG2-CD1 4.36Å; Q936-I940 HydrophobicContact CB-CG1 4.43Å; I940-L942 PolarHBondContact O-N 3.33Å
941N83.9Confident83.6Confident74 Ų7445.8 Ų45.840%0.39624%0.243SC..EExtended strand (participates in β ladder)trans-88.899.4171.7-66-21.1000108.6G864G864-N941 WeakPolarHBondContact CA-OD1 3.19Å
942L79.4Confident83.6Confident3 Ų351.3 Ų51.32%0.01627%0.269CS..  trans-84.7123.5-171.8-168.776.8000111.7L358 V859 R860 L930 Y933 I940 I947L358-L942 HydrophobicContact CB-CD2 4.04Å; L358-L942 HydrophobicContact CD1-CD2 3.33Å; L358-L942 HydrophobicContact CG-CD2 4.21Å; V859-L942 HydrophobicContact CG1-CB 4.11Å; V859-L942 HydrophobicContact CG1-CD2 4.38Å; R860-L942 PolarHBondContact O-N 2.98Å; L930-L942 HydrophobicContact CD2-CD1 3.98Å; L930-L942 HydrophobicContact CD2-CD2 4.19Å; Y933-L942 HydrophobicContact CD2-CD1 3.41Å; Y933-L942 VanDerWaalsContact CD2-CD1 3.41Å; Y933-L942 HydrophobicContact CE2-CD1 3.41Å; Y933-L942 VanDerWaalsContact CE2-CD1 3.41Å; Y933-L942 HydrophobicContact CE2-CG 4.5Å; Y933-L942 HydrophobicContact CG-CD1 4.09Å; I940-L942 PolarHBondContact O-N 3.33Å; L942-I947 HydrophobicContact CD2-CD1 4.34Å
943D82.9Confident83.7Confident69 Ų6951.4 Ų51.437%0.36927%0.269SS..  trans-105.5120.3167.8-179.47.1000110.5Y933 N945 R946Y933-D943 PolarHBondContact OH-N 3.01Å; Y933-D943 PolarHBondContact OH-O 3.14Å; D943-N945 PolarHBondContact O-N 3.31Å; D943-N945 WeakPolarHBondContact OD1-CB 3.39Å; D943-N945 PolarHBondContact OD1-N 3.08Å; D943-N945 PolarHBondContact OD1-ND2 3.25Å; D943-R946 WeakPolarHBondContact O-CB 3.22Å; D943-R946 PolarHBondContact O-N 3.43Å; D943-R946 VanDerWaalsContact O-N 3.13Å
944V83.4Confident84.2Confident2 Ų251 Ų511%0.01227%0.267CS..Hα-helixtrans-61.5-29.9178.1176.70000111.6I875 Y914 I918 R946 I947 L948I875-V944 HydrophobicContact CD1-CG2 4.38Å; Y914-V944 HydrophobicContact CE1-CB 3.98Å; Y914-V944 HydrophobicContact CE1-CG2 3.75Å; I918-V944 HydrophobicContact CG2-CG1 3.91Å; V944-R946 PolarHBondContact O-N 2.67Å; V944-I947 WeakPolarHBondContact O-CA 3.33Å; V944-I947 VanDerWaalsContact O-CB 3.25Å; V944-I947 WeakPolarHBondContact O-CB 3.15Å; V944-I947 PolarHBondContact O-N 2.97Å; V944-L948 PolarHBondContact O-N 2.86Å; V944-L948 VanDerWaalsContact O-N 3.15Å
945N80.3Confident84.9Confident98 Ų9852.4 Ų52.452%0.52427%0.274SS..Hα-helixtrans-64.9-28.1177.4-64.2-61.4000112.6D943 I947 L948 G949D943-N945 PolarHBondContact O-N 3.31Å; D943-N945 WeakPolarHBondContact OD1-CB 3.39Å; D943-N945 PolarHBondContact OD1-N 3.08Å; D943-N945 PolarHBondContact OD1-ND2 3.25Å; N945-I947 VanDerWaalsContact C-N 3.3Å; N945-L948 WeakPolarHBondContact O-CB 3.47Å; N945-L948 PolarHBondContact O-N 3.32Å; N945-G949 PolarHBondContact O-N 3.48Å; N945-G949 VanDerWaalsContact O-N 3.15Å
946R84.3Confident86.1Confident100 Ų10052 Ų5238%0.37726%0.262SS..Hα-helixtrans-69.3-33.1173.2-161.3-179.6-179.2175.9-4.6111.6Y933 D943 V944 L948 G949 Y950Y933-R946 VanDerWaalsContact CE1-NH1 3.33Å; Y933-R946 HydrophobicContact CE2-CB 4.1Å; Y933-R946 HydrophobicContact CE2-CG 4.28Å; Y933-R946 WeakPolarHBondContact OH-CB 3.34Å; Y933-R946 WeakPolarHBondContact OH-CD 3.23Å; D943-R946 WeakPolarHBondContact O-CB 3.22Å; D943-R946 PolarHBondContact O-N 3.43Å; D943-R946 VanDerWaalsContact O-N 3.13Å; V944-R946 PolarHBondContact O-N 2.67Å; R946-L948 VanDerWaalsContact C-N 3.33Å; R946-G949 WeakPolarHBondContact O-CA 3.42Å; R946-G949 PolarHBondContact O-N 3.42Å; R946-G949 VanDerWaalsContact O-N 3.15Å; R946-Y950 HydrophobicContact CG-CE2 4.11Å; R946-Y950 VanDerWaalsContact O-CD2 3.24Å; R946-Y950 WeakPolarHBondContact O-CD2 3.34Å; R946-Y950 PolarHBondContact O-N 2.91Å
947I92.6Very high87.7Confident0 Ų048.2 Ų48.20%024%0.244CC..Hα-helixtrans-64-42.2174.3-49177.4000109.9V880 C921 A925 L926 A929 L942 V944 N945 G949 Y950 R951V880-I947 HydrophobicContact CG1-CD1 3.88Å; V880-I947 HydrophobicContact CG1-CG2 4.08Å; C921-I947 HydrophobicContact CB-CG2 3.76Å; A925-I947 HydrophobicContact CB-CG2 4.18Å; L926-I947 HydrophobicContact CB-CG2 4.28Å; L926-I947 HydrophobicContact CD1-CD1 3.82Å; A929-I947 HydrophobicContact CB-CB 4.3Å; A929-I947 HydrophobicContact CB-CG1 3.8Å; A929-I947 HydrophobicContact CB-CG2 4.33Å; L942-I947 HydrophobicContact CD2-CD1 4.34Å; V944-I947 WeakPolarHBondContact O-CA 3.33Å; V944-I947 VanDerWaalsContact O-CB 3.25Å; V944-I947 WeakPolarHBondContact O-CB 3.15Å; V944-I947 PolarHBondContact O-N 2.97Å; N945-I947 VanDerWaalsContact C-N 3.3Å; I947-G949 PolarHBondContact O-N 3.34Å; I947-Y950 PolarHBondContact O-N 2.85Å; I947-R951 PolarHBondContact O-N 3.15Å; I947-R951 VanDerWaalsContact O-N 3.09Å
948L90.4Very high89.1Confident45 Ų4545.8 Ų45.824%0.23622%0.22CC..Hα-helixtrans-58.8-36.7172.9-176.765.3000112.2P919 V944 N945 R946 Y950 R951 H952P919-L948 HydrophobicContact CB-CD1 4.39Å; P919-L948 HydrophobicContact CG-CD1 4.36Å; P919-L948 HydrophobicContact CG-CD2 4.27Å; V944-L948 PolarHBondContact O-N 2.86Å; V944-L948 VanDerWaalsContact O-N 3.15Å; N945-L948 WeakPolarHBondContact O-CB 3.47Å; N945-L948 PolarHBondContact O-N 3.32Å; R946-L948 VanDerWaalsContact C-N 3.33Å; L948-Y950 VanDerWaalsContact C-N 3.29Å; L948-Y950 PolarHBondContact O-N 2.83Å; L948-R951 HydrophobicContact CD1-CB 4.44Å; L948-R951 VanDerWaalsContact O-CB 3.31Å; L948-R951 WeakPolarHBondContact O-CB 3.43Å; L948-R951 PolarHBondContact O-N 3.23Å; L948-R951 VanDerWaalsContact O-N 3.12Å; L948-H952 PolarHBondContact O-CD2 3.03Å; L948-H952 PolarHBondContact O-N 3.24Å
949G92.5Very high90.3Very high35 Ų3541.2 Ų41.236%0.36121%0.207SC..Hα-helixtrans-55.5-41.617100000113.1N945 R946 I947 H952 F953N945-G949 PolarHBondContact O-N 3.48Å; N945-G949 VanDerWaalsContact O-N 3.15Å; R946-G949 WeakPolarHBondContact O-CA 3.42Å; R946-G949 PolarHBondContact O-N 3.42Å; R946-G949 VanDerWaalsContact O-N 3.15Å; I947-G949 PolarHBondContact O-N 3.34Å; G949-H952 WeakPolarHBondContact O-CB 3.25Å; G949-H952 PolarHBondContact O-N 3.45Å; G949-F953 PolarHBondContact O-N 2.98Å
950Y95.9Very high91Very high29 Ų2939.2 Ų39.211%0.11420%0.197CC..Hα-helixtrans-75.4-23.1176.6-64.9-64.4000113.6F928 A929 R946 I947 L948 H952 F953 C954 Y1019F928-Y950 AromaticContact CD1-CD1 3.36Å; F928-Y950 HydrophobicContact CD1-CD1 3.36Å; F928-Y950 HydrophobicContact CD1-CD2 4.35Å; F928-Y950 AromaticContact CD1-CE1 3.42Å; F928-Y950 HydrophobicContact CD1-CE1 3.42Å; F928-Y950 VanDerWaalsContact CD1-CE1 3.42Å; F928-Y950 HydrophobicContact CD1-CE2 4.36Å; F928-Y950 AromaticContact CD1-CG 3.86Å; F928-Y950 HydrophobicContact CD1-CG 3.86Å; F928-Y950 AromaticContact CD1-CZ 3.92Å; F928-Y950 AromaticContact CE1-CD1 3.62Å; F928-Y950 HydrophobicContact CE1-CD1 3.62Å; F928-Y950 AromaticContact CE1-CE1 3.32Å; F928-Y950 HydrophobicContact CE1-CE1 3.32Å; F928-Y950 HydrophobicContact CG-CD1 4.43Å; A929-Y950 HydrophobicContact CB-CD2 3.57Å; A929-Y950 HydrophobicContact CB-CE2 3.88Å; R946-Y950 HydrophobicContact CG-CE2 4.11Å; R946-Y950 VanDerWaalsContact O-CD2 3.24Å; R946-Y950 WeakPolarHBondContact O-CD2 3.34Å; R946-Y950 PolarHBondContact O-N 2.91Å; I947-Y950 PolarHBondContact O-N 2.85Å; L948-Y950 VanDerWaalsContact C-N 3.29Å; L948-Y950 PolarHBondContact O-N 2.83Å; Y950-H952 VanDerWaalsContact C-N 3.27Å; Y950-H952 PolarHBondContact O-N 3.46Å; Y950-F953 WeakPolarHBondContact O-CB 3.47Å; Y950-F953 PolarHBondContact O-N 3.07Å; Y950-F953 VanDerWaalsContact O-N 3.13Å; Y950-C954 PolarHBondContact O-N 3.01Å; Y950-C954 PolarHBondContact O-SG 3.19Å; Y950-Y1019 HydrophobicContact CD1-CE2 4.38Å; Y950-Y1019 HydrophobicContact CE1-CD2 4.24Å; Y950-Y1019 HydrophobicContact CE1-CE2 4.23Å
951R95.8Very high91.7Very high52 Ų5239.1 Ų39.120%0.19620%0.197CC..Hα-helixtrans-59.7-40.3165.2-177.7-171.2171.9124.44.9110.9Y306 E920 A925 I947 L948 F953 C954 N955Y306-R951 HydrophobicContact CD1-CG 4.43Å; Y306-R951 HydrophobicContact CE1-CG 4.09Å; E920-R951 VanDerWaalsContact C-NH1 3.31Å; E920-R951 WeakPolarHBondContact O-CD 3.26Å; E920-R951 PolarHBondContact O-NH1 3.15Å; E920-R951 IonicContact OE2-CZ 3.3Å; E920-R951 IonicContact OE2-NH1 3.48Å; E920-R951 PolarHBondContact OE2-NH1 2.5Å; E920-R951 IonicContact OE2-NH2 2.66Å; E920-R951 PolarHBondContact OE2-NH2 3.03Å; A925-R951 HydrophobicContact CB-CB 4.27Å; I947-R951 PolarHBondContact O-N 3.15Å; I947-R951 VanDerWaalsContact O-N 3.09Å; L948-R951 HydrophobicContact CD1-CB 4.44Å; L948-R951 VanDerWaalsContact O-CB 3.31Å; L948-R951 WeakPolarHBondContact O-CB 3.43Å; L948-R951 PolarHBondContact O-N 3.23Å; L948-R951 VanDerWaalsContact O-N 3.12Å; R951-F953 VanDerWaalsContact C-N 3.28Å; R951-F953 PolarHBondContact O-N 2.87Å; R951-C954 WeakPolarHBondContact O-CB 3.35Å; R951-C954 PolarHBondContact O-N 3.3Å; R951-N955 PolarHBondContact O-N 3.06Å; R951-N955 VanDerWaalsContact O-N 3.11Å
952H95.3Very high92.1Very high118 Ų11838.7 Ų38.755%0.54619%0.192SC..Hα-helixtrans-66.1-32.8174.9-61.2-47.1000112.4L948 G949 Y950 N955 K956L948-H952 PolarHBondContact O-CD2 3.03Å; L948-H952 PolarHBondContact O-N 3.24Å; G949-H952 WeakPolarHBondContact O-CB 3.25Å; G949-H952 PolarHBondContact O-N 3.45Å; Y950-H952 VanDerWaalsContact C-N 3.27Å; Y950-H952 PolarHBondContact O-N 3.46Å; H952-N955 PolarHBondContact O-N 3.43Å; H952-K956 PolarHBondContact O-N 3Å
953F97.2Very high92.7Very high5 Ų541.6 Ų41.62%0.02220%0.204CC..Hα-helixtrans-63.5-44.8171.4179.7-124000111.8F928 G949 Y950 R951 N955 K956 L957 Y1019 W1022 L1023 L1069 M1073F928-F953 HydrophobicContact CE2-CE1 4.3Å; F928-F953 HydrophobicContact CZ-CE1 4.27Å; G949-F953 PolarHBondContact O-N 2.98Å; Y950-F953 WeakPolarHBondContact O-CB 3.47Å; Y950-F953 PolarHBondContact O-N 3.07Å; Y950-F953 VanDerWaalsContact O-N 3.13Å; R951-F953 VanDerWaalsContact C-N 3.28Å; R951-F953 PolarHBondContact O-N 2.87Å; F953-N955 VanDerWaalsContact C-N 3.25Å; F953-N955 PolarHBondContact O-N 3.49Å; F953-K956 WeakPolarHBondContact O-CA 3.45Å; F953-K956 WeakPolarHBondContact O-CB 3.27Å; F953-K956 PolarHBondContact O-N 3.29Å; F953-L957 HydrophobicContact CD1-CD1 4.39Å; F953-L957 HydrophobicContact CE1-CD1 4.07Å; F953-L957 HydrophobicContact CE1-CD2 4.49Å; F953-L957 HydrophobicContact CE1-CG 4.44Å; F953-L957 HydrophobicContact CE2-CD2 4Å; F953-L957 HydrophobicContact CE2-CG 4.29Å; F953-L957 HydrophobicContact CZ-CD1 4.26Å; F953-L957 HydrophobicContact CZ-CD2 3.86Å; F953-L957 HydrophobicContact CZ-CG 4.21Å; F953-L957 WeakPolarHBondContact O-CG 3.45Å; F953-L957 PolarHBondContact O-N 2.95Å; F953-Y1019 HydrophobicContact CB-CE2 3.99Å; F953-Y1019 AromaticContact CD1-CD2 3.96Å; F953-Y1019 HydrophobicContact CD1-CD2 3.96Å; F953-Y1019 HydrophobicContact CD1-CE2 4.28Å; F953-Y1019 AromaticContact CD2-CD2 3.75Å; F953-Y1019 HydrophobicContact CD2-CD2 3.75Å; F953-Y1019 AromaticContact CD2-CE2 3.67Å; F953-Y1019 HydrophobicContact CD2-CE2 3.67Å; F953-Y1019 HydrophobicContact CE1-CD2 4.05Å; F953-Y1019 AromaticContact CE2-CD2 3.84Å; F953-Y1019 HydrophobicContact CE2-CD2 3.84Å; F953-Y1019 HydrophobicContact CE2-CE2 4.2Å; F953-Y1019 AromaticContact CG-CD2 3.81Å; F953-Y1019 HydrophobicContact CG-CD2 3.81Å; F953-Y1019 AromaticContact CG-CE2 3.72Å; F953-Y1019 HydrophobicContact CG-CE2 3.72Å; F953-Y1019 AromaticContact CZ-CD2 4Å; F953-Y1019 HydrophobicContact CZ-CD2 4Å; F953-W1022 HydrophobicContact CE2-CB 3.77Å; F953-W1022 HydrophobicContact CZ-CB 3.81Å; F953-W1022 HydrophobicContact CZ-CG 4.31Å; F953-L1023 HydrophobicContact CE2-CB 4.47Å; F953-L1069 HydrophobicContact CE1-CD1 4.47Å; F953-M1073 HydrophobicContact CD1-CE 3.74Å; F953-M1073 HydrophobicContact CD1-SD 4.34Å; F953-M1073 HydrophobicContact CE1-CE 4.18Å; F953-M1073 HydrophobicContact CE1-SD 4.33Å
954C97.9Very high93.1Very high0 Ų038.3 Ų38.30%019%0.187CC..Hα-helixtrans-55-41.5171.8-620000112.1Y306 Y950 R951 K956 L957 W958Y306-C954 HydrophobicContact CD1-CB 3.85Å; Y306-C954 HydrophobicContact CD2-CB 4.19Å; Y306-C954 HydrophobicContact CE1-CB 3.49Å; Y306-C954 VanDerWaalsContact CE1-CB 3.49Å; Y306-C954 HydrophobicContact CE2-CB 3.85Å; Y306-C954 HydrophobicContact CG-CB 4.18Å; Y306-C954 VanDerWaalsContact CZ-CB 3.5Å; Y950-C954 PolarHBondContact O-N 3.01Å; Y950-C954 PolarHBondContact O-SG 3.19Å; R951-C954 WeakPolarHBondContact O-CB 3.35Å; R951-C954 PolarHBondContact O-N 3.3Å; C954-K956 VanDerWaalsContact C-N 3.34Å; C954-K956 PolarHBondContact O-N 3Å; C954-L957 WeakPolarHBondContact O-CB 3.3Å; C954-L957 PolarHBondContact O-N 3.38Å; C954-W958 WeakPolarHBondContact O-CB 3.43Å; C954-W958 PolarHBondContact O-N 3.45Å
955N96.6Very high93.5Very high49 Ų4941.4 Ų41.426%0.26220%0.202SC..Hα-helixtrans-67-31.4174.7-170.459.4000113.2Y306 R951 H952 F953 W958 N959Y306-N955 WeakPolarHBondContact CB-OD1 3.33Å; Y306-N955 HydrophobicContact CD1-CB 4.46Å; Y306-N955 PolarHBondContact N-OD1 3.36Å; R951-N955 PolarHBondContact O-N 3.06Å; R951-N955 VanDerWaalsContact O-N 3.11Å; H952-N955 PolarHBondContact O-N 3.43Å; F953-N955 VanDerWaalsContact C-N 3.25Å; F953-N955 PolarHBondContact O-N 3.49Å; N955-W958 WeakPolarHBondContact O-CB 3.45Å; N955-N959 PolarHBondContact ND2-ND2 3.29Å; N955-N959 PolarHBondContact O-N 3.42Å; N955-N959 VanDerWaalsContact O-N 3.1Å; N955-N959 PolarHBondContact O-ND2 3.28Å
956K96.1Very high94Very high70 Ų7045.4 Ų45.430%0.30421%0.214SC..Hα-helixtrans-66.6-46172.8-171.386.9179.9-151.10110.7H952 F953 C954 W958 N959 A960 L1023 D1028H952-K956 PolarHBondContact O-N 3Å; F953-K956 WeakPolarHBondContact O-CA 3.45Å; F953-K956 WeakPolarHBondContact O-CB 3.27Å; F953-K956 PolarHBondContact O-N 3.29Å; C954-K956 VanDerWaalsContact C-N 3.34Å; C954-K956 PolarHBondContact O-N 3Å; K956-W958 VanDerWaalsContact C-N 3.31Å; K956-W958 PolarHBondContact O-N 2.89Å; K956-N959 PolarHBondContact O-N 2.79Å; K956-A960 WeakPolarHBondContact O-CB 3.23Å; K956-A960 PolarHBondContact O-N 3.14Å; K956-L1023 HydrophobicContact CD-CD1 3.83Å; K956-L1023 HydrophobicContact CG-CD1 3.82Å; K956-D1028 IonicContact NZ-OD1 3.65Å; K956-D1028 PolarHBondContact NZ-OD1 3.22Å
957L97.3Very high94.2Very high1 Ų141.6 Ų41.61%0.00520%0.202CC..Hα-helixtrans-56.3-46.9175-61.1173.6000111.3F953 C954 N959 A960 V961 W1022 L1069 M1073 V1076 L1080F953-L957 HydrophobicContact CD1-CD1 4.39Å; F953-L957 HydrophobicContact CE1-CD1 4.07Å; F953-L957 HydrophobicContact CE1-CD2 4.49Å; F953-L957 HydrophobicContact CE1-CG 4.44Å; F953-L957 HydrophobicContact CE2-CD2 4Å; F953-L957 HydrophobicContact CE2-CG 4.29Å; F953-L957 HydrophobicContact CZ-CD1 4.26Å; F953-L957 HydrophobicContact CZ-CD2 3.86Å; F953-L957 HydrophobicContact CZ-CG 4.21Å; F953-L957 WeakPolarHBondContact O-CG 3.45Å; F953-L957 PolarHBondContact O-N 2.95Å; C954-L957 WeakPolarHBondContact O-CB 3.3Å; C954-L957 PolarHBondContact O-N 3.38Å; L957-N959 PolarHBondContact O-N 3.03Å; L957-A960 PolarHBondContact O-N 3.24Å; L957-V961 PolarHBondContact O-N 3.27Å; L957-W1022 HydrophobicContact CD2-CB 3.83Å; L957-W1022 HydrophobicContact CD2-CD2 3.19Å; L957-W1022 HydrophobicContact CD2-CE3 3.34Å; L957-W1022 HydrophobicContact CD2-CG 3.42Å; L957-W1022 VanDerWaalsContact CD2-CG 3.42Å; L957-W1022 HydrophobicContact CD2-CH2 4.47Å; L957-W1022 HydrophobicContact CD2-CZ2 4.36Å; L957-W1022 HydrophobicContact CD2-CZ3 4Å; L957-L1069 HydrophobicContact CD1-CD2 3.36Å; L957-L1069 HydrophobicContact CD2-CD2 4.29Å; L957-L1069 HydrophobicContact CG-CD2 4.48Å; L957-M1073 HydrophobicContact CD1-SD 4.23Å; L957-V1076 HydrophobicContact CD1-CG1 4.4Å; L957-L1080 HydrophobicContact CB-CD1 4.14Å
958W96.9Very high94.2Very high0 Ų042.2 Ų42.20%021%0.206CC..Hα-helixtrans-54.5-50.5176.6-174.5-91.6000112.4L302 P303 Y306 Y310 V311 C954 N955 K956 K962 E1079 L1080L302-W958 HydrophobicContact CB-CZ2 3.9Å; L302-W958 HydrophobicContact CD2-CD2 4.31Å; L302-W958 HydrophobicContact CD2-CE3 4.19Å; L302-W958 HydrophobicContact CD2-CH2 3.22Å; L302-W958 HydrophobicContact CD2-CZ2 3.35Å; L302-W958 HydrophobicContact CD2-CZ3 3.65Å; L302-W958 HydrophobicContact CG-CH2 4.49Å; L302-W958 HydrophobicContact CG-CZ2 4.22Å; P303-W958 HydrophobicContact CB-CZ2 4.1Å; P303-W958 HydrophobicContact CG-CZ2 4.09Å; P303-W958 PolarHBondContact O-NE1 3.38Å; Y306-W958 HydrophobicContact CD2-CE3 4.12Å; Y310-W958 AromaticContact CD1-CH2 3.86Å; Y310-W958 HydrophobicContact CD1-CH2 3.86Å; Y310-W958 AromaticContact CE1-CH2 3.78Å; Y310-W958 HydrophobicContact CE1-CH2 3.78Å; V311-W958 HydrophobicContact CG2-CE3 4.17Å; V311-W958 HydrophobicContact CG2-CH2 4.11Å; V311-W958 HydrophobicContact CG2-CZ3 3.49Å; V311-W958 VanDerWaalsContact CG2-CZ3 3.49Å; C954-W958 WeakPolarHBondContact O-CB 3.43Å; C954-W958 PolarHBondContact O-N 3.45Å; N955-W958 WeakPolarHBondContact O-CB 3.45Å; K956-W958 VanDerWaalsContact C-N 3.31Å; K956-W958 PolarHBondContact O-N 2.89Å; W958-K962 VanDerWaalsContact O-CB 3.27Å; W958-K962 WeakPolarHBondContact O-CB 3.31Å; W958-K962 PolarHBondContact O-N 3.13Å; W958-E1079 HydrophobicContact CZ3-CG 3.91Å; W958-L1080 HydrophobicContact CE3-CD2 3.88Å; W958-L1080 HydrophobicContact CZ3-CD2 4.32Å
959N95.8Very high93.9Very high67 Ų6741.6 Ų41.636%0.35821%0.21SC..Hα-helixtrans-68.5-36.4-179.9-73.3-51.3000112.5N955 K956 L957 F963N955-N959 PolarHBondContact ND2-ND2 3.29Å; N955-N959 PolarHBondContact O-N 3.42Å; N955-N959 VanDerWaalsContact O-N 3.1Å; N955-N959 PolarHBondContact O-ND2 3.28Å; K956-N959 PolarHBondContact O-N 2.79Å; L957-N959 PolarHBondContact O-N 3.03Å; N959-F963 VanDerWaalsContact O-CB 3.29Å; N959-F963 WeakPolarHBondContact O-CB 3.36Å; N959-F963 PolarHBondContact O-N 3.48Å
960A95.4Very high93.5Very high5 Ų546.7 Ų46.74%0.04123%0.229CC..Hα-helixtrans-62.8-47.9176.900000111.4K956 L957 F963 A964 W1022 C1027 L1031K956-A960 WeakPolarHBondContact O-CB 3.23Å; K956-A960 PolarHBondContact O-N 3.14Å; L957-A960 PolarHBondContact O-N 3.24Å; A960-F963 PolarHBondContact O-N 3.3Å; A960-A964 WeakPolarHBondContact O-CB 3.33Å; A960-A964 PolarHBondContact O-N 2.96Å; A960-W1022 HydrophobicContact CB-CZ3 4.24Å; A960-C1027 VanDerWaalsContact CB-SG 3.59Å; A960-L1031 HydrophobicContact CB-CD1 4.11Å
961V95.1Very high93Very high0 Ų052.7 Ų52.70%026%0.263CS..Hα-helixtrans-68.4-41.9177.4175.20000111.3L957 F963 A964 M965 W1022 L1062 L1080 L1084L957-V961 PolarHBondContact O-N 3.27Å; V961-F963 VanDerWaalsContact C-N 3.33Å; V961-F963 PolarHBondContact O-N 3.32Å; V961-A964 PolarHBondContact O-N 3.26Å; V961-M965 HydrophobicContact CG1-CG 4.15Å; V961-M965 HydrophobicContact CG1-SD 4.01Å; V961-M965 WeakPolarHBondContact O-CB 3.35Å; V961-M965 VanDerWaalsContact O-CG 3.32Å; V961-M965 WeakPolarHBondContact O-CG 3.27Å; V961-M965 PolarHBondContact O-N 3.31Å; V961-W1022 HydrophobicContact CG2-CH2 4.22Å; V961-W1022 HydrophobicContact CG2-CZ3 4.46Å; V961-L1062 HydrophobicContact CG2-CD2 4.16Å; V961-L1080 HydrophobicContact CB-CD1 4.38Å; V961-L1080 HydrophobicContact CB-CD2 3.99Å; V961-L1080 HydrophobicContact CG1-CB 4.33Å; V961-L1080 HydrophobicContact CG1-CD2 4Å; V961-L1080 HydrophobicContact CG2-CB 4.28Å; V961-L1080 HydrophobicContact CG2-CD1 3.93Å; V961-L1080 HydrophobicContact CG2-CD2 4.39Å; V961-L1080 HydrophobicContact CG2-CG 4.42Å; V961-L1084 HydrophobicContact CG1-CD2 4.32Å
962K93.8Very high92.8Very high64 Ų6451.2 Ų51.228%0.27826%0.258SS..Hα-helixtrans-58.8-44175.6-176.3171.3176.6166.90111.8L302 P303 D304 W958 K966L302-K962 HydrophobicContact CB-CD 4.21Å; L302-K962 HydrophobicContact CD1-CB 3.96Å; L302-K962 HydrophobicContact CD1-CG 4.35Å; L302-K962 PolarHBondContact O-NZ 2.81Å; P303-K962 PolarHBondContact O-NZ 3.44Å; D304-K962 IonicContact OD1-NZ 2.73Å; D304-K962 PolarHBondContact OD1-NZ 3.49Å; W958-K962 VanDerWaalsContact O-CB 3.27Å; W958-K962 WeakPolarHBondContact O-CB 3.31Å; W958-K962 PolarHBondContact O-N 3.13Å; K962-K966 PolarHBondContact O-N 3.2Å
963F92Very high92.6Very high65 Ų6550.5 Ų50.529%0.28526%0.262SS..Hα-helixtrans-60.8-51.4173.3171.5-97.8000110.9N959 A960 V961 M965 K966 T967 L1031 K1035N959-F963 VanDerWaalsContact O-CB 3.29Å; N959-F963 WeakPolarHBondContact O-CB 3.36Å; N959-F963 PolarHBondContact O-N 3.48Å; A960-F963 PolarHBondContact O-N 3.3Å; V961-F963 VanDerWaalsContact C-N 3.33Å; V961-F963 PolarHBondContact O-N 3.32Å; F963-M965 PolarHBondContact O-N 3.05Å; F963-K966 WeakPolarHBondContact O-CB 3.33Å; F963-K966 PolarHBondContact O-N 3.33Å; F963-T967 PolarHBondContact O-N 2.89Å; F963-T967 VanDerWaalsContact O-N 3.1Å; F963-T967 PolarHBondContact O-OG1 3.08Å; F963-T967 VanDerWaalsContact O-OG1 3.14Å; F963-L1031 HydrophobicContact CD1-CD1 4.16Å; F963-L1031 HydrophobicContact CD1-CD2 4.11Å; F963-L1031 HydrophobicContact CE1-CB 4.48Å; F963-L1031 HydrophobicContact CE1-CD2 4.06Å; F963-K1035 HydrophobicContact CE2-CG 4.31Å; F963-K1035 HydrophobicContact CZ-CD 4.37Å; F963-K1035 HydrophobicContact CZ-CG 3.72Å
964A91.8Very high92.5Very high0 Ų050.7 Ų50.70%026%0.263CS..Hα-helixtrans-64.6-39.2-175.300000113A960 V961 K966 T967 L968 L1058 L1062A960-A964 WeakPolarHBondContact O-CB 3.33Å; A960-A964 PolarHBondContact O-N 2.96Å; V961-A964 PolarHBondContact O-N 3.26Å; A964-K966 VanDerWaalsContact C-N 3.28Å; A964-K966 PolarHBondContact O-N 3.35Å; A964-T967 CarbonylContact O-C 3.07Å; A964-T967 PolarHBondContact O-N 2.65Å; A964-L968 VanDerWaalsContact O-CG 3.26Å; A964-L968 WeakPolarHBondContact O-CG 3.19Å; A964-L968 PolarHBondContact O-N 3.27Å; A964-L1058 HydrophobicContact CB-CD1 4.17Å; A964-L1058 HydrophobicContact CB-CD2 3.79Å; A964-L1058 HydrophobicContact CB-CG 4.08Å; A964-L1062 HydrophobicContact CB-CD1 3.42Å; A964-L1062 VanDerWaalsContact CB-CD1 3.42Å; A964-L1062 HydrophobicContact CB-CD2 4.34Å; A964-L1062 HydrophobicContact CB-CG 4.38Å
965M91.3Very high92.2Very high66 Ų6652.8 Ų52.833%0.32528%0.278SS..Hα-helixtrans-56.9-42.4174.6-74.1175.967.500111.9L302 V961 F963 T967 G969 R1083 L1084L302-M965 HydrophobicContact CD1-SD 3.97Å; V961-M965 HydrophobicContact CG1-CG 4.15Å; V961-M965 HydrophobicContact CG1-SD 4.01Å; V961-M965 WeakPolarHBondContact O-CB 3.35Å; V961-M965 VanDerWaalsContact O-CG 3.32Å; V961-M965 WeakPolarHBondContact O-CG 3.27Å; V961-M965 PolarHBondContact O-N 3.31Å; F963-M965 PolarHBondContact O-N 3.05Å; M965-T967 VanDerWaalsContact C-N 3.32Å; M965-T967 PolarHBondContact O-N 2.77Å; M965-G969 PolarHBondContact O-N 2.93Å; M965-R1083 HydrophobicContact CE-CB 3.85Å; M965-R1083 HydrophobicContact SD-CB 3.86Å; M965-L1084 HydrophobicContact CG-CD2 4.38Å
966K89.8Confident91.8Very high182 Ų18257.4 Ų57.479%0.79130%0.298SS*.Hα-helixtrans-62.3-40.8174.6-176.3-177.5176.4-177.10111.5K962 F963 A964K962-K966 PolarHBondContact O-N 3.2Å; F963-K966 WeakPolarHBondContact O-CB 3.33Å; F963-K966 PolarHBondContact O-N 3.33Å; A964-K966 VanDerWaalsContact C-N 3.28Å; A964-K966 PolarHBondContact O-N 3.35Å
967T89.6Confident91.4Very high20 Ų2060.3 Ų60.312%0.12331%0.311CS..Hα-helixtrans-74.2-32.9-178.1-57.70000113.7F963 A964 M965 F1038 R1055 L1058F963-T967 PolarHBondContact O-N 2.89Å; F963-T967 VanDerWaalsContact O-N 3.1Å; F963-T967 PolarHBondContact O-OG1 3.08Å; F963-T967 VanDerWaalsContact O-OG1 3.14Å; A964-T967 CarbonylContact O-C 3.07Å; A964-T967 PolarHBondContact O-N 2.65Å; M965-T967 VanDerWaalsContact C-N 3.32Å; M965-T967 PolarHBondContact O-N 2.77Å; T967-F1038 HydrophobicContact CG2-CB 4.44Å; T967-F1038 HydrophobicContact CG2-CD1 3.79Å; T967-F1038 HydrophobicContact CG2-CD2 3.26Å; T967-F1038 HydrophobicContact CG2-CE1 3.79Å; T967-F1038 HydrophobicContact CG2-CE2 3.21Å; T967-F1038 HydrophobicContact CG2-CG 3.55Å; T967-F1038 HydrophobicContact CG2-CZ 3.49Å; T967-F1038 VanDerWaalsContact CG2-CZ 3.49Å; T967-R1055 PolarHBondContact O-NE 2.99Å; T967-R1055 VanDerWaalsContact O-NE 3.11Å; T967-L1058 HydrophobicContact CG2-CD2 4.45Å
968L91.1Very high91Very high14 Ų1460.9 Ų60.97%0.07332%0.316CS..Hα-helixtrans-63.7-45.4173.5-68.9174.4000110A964 F972 R1055 Y1059A964-L968 VanDerWaalsContact O-CG 3.26Å; A964-L968 WeakPolarHBondContact O-CG 3.19Å; A964-L968 PolarHBondContact O-N 3.27Å; L968-F972 HydrophobicContact CB-CB 4.08Å; L968-F972 HydrophobicContact CB-CD1 4.15Å; L968-F972 HydrophobicContact CB-CG 4.05Å; L968-F972 HydrophobicContact CD1-CD1 4.23Å; L968-F972 HydrophobicContact CD1-CE1 4.35Å; L968-F972 HydrophobicContact CD2-CD1 4Å; L968-F972 HydrophobicContact CD2-CD2 4.16Å; L968-F972 HydrophobicContact CD2-CE1 3.91Å; L968-F972 HydrophobicContact CD2-CE2 4.07Å; L968-F972 HydrophobicContact CD2-CG 4.12Å; L968-F972 HydrophobicContact CD2-CZ 3.94Å; L968-F972 HydrophobicContact CG-CD1 4.34Å; L968-F972 WeakPolarHBondContact O-CB 3.23Å; L968-R1055 HydrophobicContact CD2-CB 3.82Å; L968-R1055 HydrophobicContact CD2-CG 4.21Å; L968-R1055 WeakPolarHBondContact CD2-O 3.38Å; L968-R1055 WeakPolarHBondContact O-CD 3.4Å; L968-R1055 PolarHBondContact O-NE 3.11Å; L968-Y1059 HydrophobicContact CD1-CD2 4.22Å
969G85.6Confident90.6Very high31 Ų3167.5 Ų67.532%0.3235%0.347SS..  trans82.4160179.100000113.7M965 N971 F972M965-G969 PolarHBondContact O-N 2.93Å; G969-N971 PolarHBondContact O-N 3.26Å; G969-N971 VanDerWaalsContact O-N 3.17Å; G969-F972 WeakPolarHBondContact O-CB 3.15Å; G969-F972 PolarHBondContact O-N 3.15Å; G969-F972 VanDerWaalsContact O-N 3.13Å
970D83.1Confident90.4Very high142 Ų14267.9 Ų67.976%0.75935%0.348SS*.THydrogen-bonded Turntrans-67.6-18.3-170.3-62.5-32.1000114.2R1085D970-R1085 PolarHBondContact O-NH1 3.43Å; D970-R1085 VanDerWaalsContact O-NH1 3.08Å; D970-R1085 PolarHBondContact O-NH2 3.21Å
971N85.9Confident90.1Very high156 Ų15670.5 Ų70.583%0.83437%0.366SS*.THydrogen-bonded Turntrans-99.13.4179-65.1-26.6000113.1G969 V973G969-N971 PolarHBondContact O-N 3.26Å; G969-N971 VanDerWaalsContact O-N 3.17Å; N971-V973 PolarHBondContact O-N 3.39Å
972F91.7Very high89.9Confident20 Ų2073.8 Ų73.89%0.08840%0.4CS..  trans-64.5133.3179.5179.2-105.3000111.7L968 G969 P974 R1055 Q1056 Y1059 R1085L968-F972 HydrophobicContact CB-CB 4.08Å; L968-F972 HydrophobicContact CB-CD1 4.15Å; L968-F972 HydrophobicContact CB-CG 4.05Å; L968-F972 HydrophobicContact CD1-CD1 4.23Å; L968-F972 HydrophobicContact CD1-CE1 4.35Å; L968-F972 HydrophobicContact CD2-CD1 4Å; L968-F972 HydrophobicContact CD2-CD2 4.16Å; L968-F972 HydrophobicContact CD2-CE1 3.91Å; L968-F972 HydrophobicContact CD2-CE2 4.07Å; L968-F972 HydrophobicContact CD2-CG 4.12Å; L968-F972 HydrophobicContact CD2-CZ 3.94Å; L968-F972 HydrophobicContact CG-CD1 4.34Å; L968-F972 WeakPolarHBondContact O-CB 3.23Å; G969-F972 WeakPolarHBondContact O-CB 3.15Å; G969-F972 PolarHBondContact O-N 3.15Å; G969-F972 VanDerWaalsContact O-N 3.13Å; F972-P974 HydrophobicContact CE1-CB 3.86Å; F972-P974 HydrophobicContact CE1-CG 4.49Å; F972-P974 HydrophobicContact CZ-CB 4.25Å; F972-R1055 HydrophobicContact CD2-CB 3.91Å; F972-R1055 HydrophobicContact CE2-CB 3.63Å; F972-Q1056 HydrophobicContact CE2-CG 4.34Å; F972-Y1059 HydrophobicContact CE1-CD1 4.49Å; F972-Y1059 AromaticContact CE1-CD2 3.66Å; F972-Y1059 HydrophobicContact CE1-CD2 3.66Å; F972-Y1059 HydrophobicContact CE1-CE2 4.4Å; F972-Y1059 AromaticContact CE1-CG 3.7Å; F972-Y1059 HydrophobicContact CE1-CG 3.7Å; F972-Y1059 HydrophobicContact CZ-CD2 4.43Å; F972-Y1059 HydrophobicContact CZ-CG 4.02Å; F972-R1085 WeakPolarHBondContact O-CD 3.43Å; F972-R1085 PolarHBondContact O-NH1 2.97Å
973V91.4Very high89.8Confident103 Ų10375.5 Ų75.562%0.62441%0.409SS*.  trans-121.8116.1172.7-177.90000107.5N971 Q1056N971-V973 PolarHBondContact O-N 3.39Å; V973-Q1056 PolarHBondContact O-NE2 2.81Å
974P93.6Very high90Very high9 Ų973.6 Ų73.66%0.05840%0.401CS..  trans-67.6144176.429.6-34.7000110.3F972 Y1059 R1085 R1087F972-P974 HydrophobicContact CE1-CB 3.86Å; F972-P974 HydrophobicContact CE1-CG 4.49Å; F972-P974 HydrophobicContact CZ-CB 4.25Å; P974-Y1059 HydrophobicContact CB-CD1 3.68Å; P974-Y1059 HydrophobicContact CB-CD2 4.27Å; P974-Y1059 HydrophobicContact CB-CE1 3.35Å; P974-Y1059 HydrophobicContact CB-CE2 3.96Å; P974-Y1059 HydrophobicContact CB-CG 4.13Å; P974-Y1059 VanDerWaalsContact CB-CZ 3.5Å; P974-Y1059 HydrophobicContact CG-CE1 4.22Å; P974-Y1059 HydrophobicContact CG-CE2 4.23Å; P974-R1085 HydrophobicContact CG-CB 4.32Å; P974-R1087 HydrophobicContact CB-CG 4.15Å; P974-R1087 HydrophobicContact CG-CG 4.37Å
975S91.4Very high90.1Very high45 Ų4574.8 Ų74.832%0.31541%0.409SS..  trans-60.2146.1175.2-57.70000110.7K977 Q1056 R1087S975-K977 WeakPolarHBondContact CB-O 3.47Å; S975-K977 PolarHBondContact O-N 3.42Å; S975-Q1056 PolarHBondContact OG-OE1 2.7Å; S975-R1087 WeakPolarHBondContact O-CD 3.28Å; S975-R1087 WeakPolarHBondContact O-CG 3.46Å; S975-R1087 PolarHBondContact O-NH1 3.03Å
976E88.4Confident90.2Very high145 Ų14573.1 Ų73.168%0.67840%0.403SS*.SBendtrans-56.7-28.7-178.1-68.5-168.6174.100113.7K1088E976-K1088 WeakPolarHBondContact O-CE 3.46Å
977K88.2Confident90.5Very high132 Ų13264.5 Ų64.557%0.57437%0.365SS*.SBendtrans-133.7152.4174.5-66.3-175.1179.5-179.20109.9S975 Q979 R1087S975-K977 WeakPolarHBondContact CB-O 3.47Å; S975-K977 PolarHBondContact O-N 3.42Å; K977-Q979 PolarHBondContact O-N 2.86Å; K977-R1087 PolarHBondContact O-NH1 2.94Å
978A89.3Confident90.8Very high13 Ų1363.6 Ų63.611%0.10736%0.36CS..  trans-76117.4168.100000108.3T1060 F1107 W1109A978-T1060 HydrophobicContact CB-CG2 3.78Å; A978-F1107 HydrophobicContact CB-CE1 3.86Å; A978-F1107 HydrophobicContact CB-CZ 4.5Å; A978-W1109 HydrophobicContact CB-CH2 3.82Å; A978-W1109 HydrophobicContact CB-CZ2 4.48Å
979Q89.1Confident91.1Very high139 Ų13968.9 Ų68.965%0.6538%0.379SS*.  trans-155.1155.3-177.765.6-174.511.500110.8K977K977-Q979 PolarHBondContact O-N 2.86Å
980L90.7Very high91.7Very high75 Ų7568.3 Ų68.339%0.39337%0.367SS..  trans-75.3131.8170.4-63.2172000109.5E984 L992 W1109L980-E984 WeakPolarHBondContact CA-OE1 3.49Å; L980-E984 HydrophobicContact CD2-CG 3.93Å; L980-L992 HydrophobicContact CD2-CD1 3.5Å; L980-L992 VanDerWaalsContact CD2-CD1 3.5Å; L980-W1109 HydrophobicContact CD1-CG 4.26Å; L980-W1109 HydrophobicContact CG-CG 4.39Å
981S90.3Very high92.4Very high59 Ų5961.6 Ų61.641%0.41333%0.331SS..  trans-82.8-20170.464.40000112.8E983 E984S981-E983 VanDerWaalsContact C-N 3.27Å; S981-E983 PolarHBondContact OG-N 2.91Å; S981-E984 WeakPolarHBondContact CA-OE1 3.27Å; S981-E984 WeakPolarHBondContact CB-OE1 3.49Å; S981-E984 PolarHBondContact N-OE1 2.7Å; S981-E984 PolarHBondContact OG-OE1 3.48Å
982G89.8Confident93Very high69 Ų6954.5 Ų54.571%0.71129%0.293SS*.SBendtrans87.1-7.3-172.400000113.6E984G982-E984 VanDerWaalsContact CA-OE2 3.27Å; G982-E984 WeakPolarHBondContact CA-OE2 3.49Å; G982-E984 PolarHBondContact N-OE2 3.03Å
983E92.8Very high93.3Very high101 Ų10153.5 Ų53.547%0.47229%0.289SS..  trans-101.98.7-179.9-64.2175.8-132.800112.5S981 S985 R1049 V1053S981-E983 VanDerWaalsContact C-N 3.27Å; S981-E983 PolarHBondContact OG-N 2.91Å; E983-S985 PolarHBondContact O-N 2.91Å; E983-R1049 IonicContact OE1-CZ 3.94Å; E983-R1049 IonicContact OE1-NE 3.59Å; E983-R1049 IonicContact OE1-NH2 3.79Å; E983-R1049 PolarHBondContact OE1-NH2 3.26Å; E983-R1049 WeakPolarHBondContact OE2-CG 3.44Å; E983-R1049 IonicContact OE2-CZ 3.66Å; E983-R1049 IonicContact OE2-NE 2.74Å; E983-R1049 PolarHBondContact OE2-NE 3.47Å; E983-R1049 IonicContact OE2-NH2 3.11Å; E983-R1049 PolarHBondContact OE2-NH2 2.82Å; E983-V1053 HydrophobicContact CB-CG2 4.05Å
984E94.3Very high93.6Very high25 Ų2551.9 Ų51.912%0.11727%0.272CS..  trans-61.9133.7-179.7-70.373.5-150.600112L980 S981 G982 D988 R989 L992 V1053L980-E984 WeakPolarHBondContact CA-OE1 3.49Å; L980-E984 HydrophobicContact CD2-CG 3.93Å; S981-E984 WeakPolarHBondContact CA-OE1 3.27Å; S981-E984 WeakPolarHBondContact CB-OE1 3.49Å; S981-E984 PolarHBondContact N-OE1 2.7Å; S981-E984 PolarHBondContact OG-OE1 3.48Å; G982-E984 VanDerWaalsContact CA-OE2 3.27Å; G982-E984 WeakPolarHBondContact CA-OE2 3.49Å; G982-E984 PolarHBondContact N-OE2 3.03Å; E984-D988 HydrophobicContact CB-CB 3.85Å; E984-D988 HydrophobicContact CG-CB 4.16Å; E984-R989 HydrophobicContact CB-CG 3.55Å; E984-L992 HydrophobicContact CG-CD1 4.47Å; E984-V1053 HydrophobicContact CG-CG1 4.12Å
985S94.1Very high93.8Very high25 Ų2551.5 Ų51.518%0.17527%0.269CS..  trans-68169.1170.275.90000111.5E983 A987 D988 R989E983-S985 PolarHBondContact O-N 2.91Å; S985-A987 PolarHBondContact O-N 3.25Å; S985-A987 PolarHBondContact OG-N 3.02Å; S985-D988 WeakPolarHBondContact CB-OD2 3.32Å; S985-D988 PolarHBondContact N-OD2 2.89Å; S985-D988 PolarHBondContact O-N 2.77Å; S985-D988 VanDerWaalsContact O-N 3.12Å; S985-D988 PolarHBondContact OG-N 3.5Å; S985-D988 PolarHBondContact OG-OD2 3.3Å; S985-R989 PolarHBondContact O-N 2.87Å
986V94.3Very high94.1Very high30 Ų3049.4 Ų49.418%0.18225%0.254CS..Hα-helixtrans-59.9-32.5176.2-61.30000112.8W990 K1159 Y1160V986-W990 WeakPolarHBondContact O-CB 3.38Å; V986-W990 PolarHBondContact O-N 2.99Å; V986-K1159 HydrophobicContact CG1-CD 4.12Å; V986-K1159 HydrophobicContact CG1-CG 3.76Å; V986-Y1160 HydrophobicContact CB-CD1 4.5Å; V986-Y1160 HydrophobicContact CB-CE1 3.96Å; V986-Y1160 HydrophobicContact CG2-CD1 4Å; V986-Y1160 HydrophobicContact CG2-CE1 3.95Å
987A95.5Very high94.6Very high1 Ų143.3 Ų43.31%0.00823%0.229CC..Hα-helixtrans-73.2-39175.800000111.8S985 W990 I991 Y1030 Q1163S985-A987 PolarHBondContact O-N 3.25Å; S985-A987 PolarHBondContact OG-N 3.02Å; A987-W990 PolarHBondContact O-N 2.88Å; A987-I991 PolarHBondContact O-N 2.7Å; A987-Y1030 HydrophobicContact CB-CD2 4.33Å; A987-Y1030 HydrophobicContact CB-CE2 4.41Å; A987-Y1030 WeakPolarHBondContact O-CD2 3.44Å; A987-Q1163 HydrophobicContact CB-CG 4.29Å
988D96.7Very high95.1Very high1 Ų137.2 Ų37.21%0.00520%0.203CC..Hα-helixtrans-65.4-48176.7-56-44000110.5E984 S985 W990 I991 L992 Y1030 T1057E984-D988 HydrophobicContact CB-CB 3.85Å; E984-D988 HydrophobicContact CG-CB 4.16Å; S985-D988 WeakPolarHBondContact CB-OD2 3.32Å; S985-D988 PolarHBondContact N-OD2 2.89Å; S985-D988 PolarHBondContact O-N 2.77Å; S985-D988 VanDerWaalsContact O-N 3.12Å; S985-D988 PolarHBondContact OG-N 3.5Å; S985-D988 PolarHBondContact OG-OD2 3.3Å; D988-W990 VanDerWaalsContact C-N 3.3Å; D988-W990 PolarHBondContact O-N 3.07Å; D988-I991 VanDerWaalsContact O-CG2 3.29Å; D988-I991 WeakPolarHBondContact O-CG2 3.15Å; D988-I991 PolarHBondContact O-N 2.85Å; D988-L992 WeakPolarHBondContact O-CB 3.13Å; D988-L992 VanDerWaalsContact O-CG 3.28Å; D988-L992 WeakPolarHBondContact O-CG 3.47Å; D988-L992 PolarHBondContact O-N 3.29Å; D988-L992 VanDerWaalsContact O-N 3.09Å; D988-Y1030 WeakPolarHBondContact OD1-CE2 3.46Å; D988-Y1030 PolarHBondContact OD1-OH 2.89Å; D988-T1057 HydrophobicContact CB-CG2 4.01Å
989R97Very high95.5Very high126 Ų12636.6 Ų36.648%0.47520%0.198SC..Hα-helixtrans-61.2-39.5175.5-68.9-169.764.8173.1-2.7112.2E984 S985 S993 V1114E984-R989 HydrophobicContact CB-CG 3.55Å; S985-R989 PolarHBondContact O-N 2.87Å; R989-S993 WeakPolarHBondContact O-CB 3.24Å; R989-S993 PolarHBondContact O-N 3.25Å; R989-V1114 HydrophobicContact CB-CG1 4.48Å
990W97.8Very high95.9Very high19 Ų1931.7 Ų31.77%0.07218%0.181CC..Hα-helixtrans-63.3-51177.3172.970.2000111.6V986 A987 D988 L992 S993 R994 E1025 V1029 V1114 M1118V986-W990 WeakPolarHBondContact O-CB 3.38Å; V986-W990 PolarHBondContact O-N 2.99Å; A987-W990 PolarHBondContact O-N 2.88Å; D988-W990 VanDerWaalsContact C-N 3.3Å; D988-W990 PolarHBondContact O-N 3.07Å; W990-L992 VanDerWaalsContact C-N 3.26Å; W990-L992 PolarHBondContact O-N 3.21Å; W990-S993 WeakPolarHBondContact O-CB 3.49Å; W990-S993 PolarHBondContact O-N 2.71Å; W990-S993 VanDerWaalsContact O-N 3.12Å; W990-R994 HydrophobicContact CD2-CG 4.16Å; W990-R994 HydrophobicContact CG-CG 4.46Å; W990-R994 HydrophobicContact CZ2-CG 3.89Å; W990-R994 WeakPolarHBondContact O-CG 3.3Å; W990-R994 PolarHBondContact O-N 3.07Å; W990-E1025 HydrophobicContact CH2-CB 4.05Å; W990-E1025 HydrophobicContact CH2-CG 4.5Å; W990-E1025 HydrophobicContact CZ2-CB 4.47Å; W990-E1025 HydrophobicContact CZ2-CG 4.49Å; W990-V1029 HydrophobicContact CE3-CG1 4.27Å; W990-V1029 HydrophobicContact CH2-CB 3.58Å; W990-V1029 HydrophobicContact CH2-CG1 3.39Å; W990-V1029 HydrophobicContact CH2-CG2 4.2Å; W990-V1029 HydrophobicContact CZ2-CG1 4.3Å; W990-V1029 HydrophobicContact CZ3-CB 3.8Å; W990-V1029 HydrophobicContact CZ3-CG1 3.36Å; W990-V1114 HydrophobicContact CB-CG1 3.61Å; W990-V1114 HydrophobicContact CG-CG1 4.42Å; W990-M1118 HydrophobicContact CD2-CB 4.46Å; W990-M1118 HydrophobicContact CD2-CE 4.26Å; W990-M1118 HydrophobicContact CD2-CG 3.74Å; W990-M1118 HydrophobicContact CE3-CE 4.1Å; W990-M1118 HydrophobicContact CE3-CG 4.5Å; W990-M1118 HydrophobicContact CG-CB 3.97Å; W990-M1118 HydrophobicContact CG-CG 3.73Å; W990-M1118 HydrophobicContact CZ2-CG 4.32Å; W990-M1118 HydrophobicContact CZ3-CE 4.31Å
991I98.1Very high96.3Very high0 Ų032.3 Ų32.30%018%0.184CC..Hα-helixtrans-65.7-31.7-178.2-166.160.9000112.2A987 D988 R994 L995 F1021 E1025 L1026 Y1030 T1057A987-I991 PolarHBondContact O-N 2.7Å; D988-I991 VanDerWaalsContact O-CG2 3.29Å; D988-I991 WeakPolarHBondContact O-CG2 3.15Å; D988-I991 PolarHBondContact O-N 2.85Å; I991-R994 HydrophobicContact CD1-CB 4.48Å; I991-R994 PolarHBondContact O-N 3.17Å; I991-L995 VanDerWaalsContact O-CB 3.32Å; I991-L995 WeakPolarHBondContact O-CB 3.29Å; I991-L995 PolarHBondContact O-N 3.05Å; I991-F1021 HydrophobicContact CD1-CD2 4.42Å; I991-F1021 HydrophobicContact CD1-CE2 3.77Å; I991-F1021 HydrophobicContact CD1-CZ 4.48Å; I991-F1021 HydrophobicContact CG1-CE2 4.21Å; I991-E1025 HydrophobicContact CD1-CB 4.07Å; I991-L1026 HydrophobicContact CD1-CB 4.32Å; I991-L1026 HydrophobicContact CG1-CD1 4.35Å; I991-Y1030 HydrophobicContact CB-CD1 4.43Å; I991-Y1030 HydrophobicContact CB-CD2 3.61Å; I991-Y1030 HydrophobicContact CB-CE2 4.07Å; I991-Y1030 HydrophobicContact CB-CG 3.81Å; I991-Y1030 HydrophobicContact CD1-CG 4.44Å; I991-Y1030 HydrophobicContact CG1-CD1 4.18Å; I991-Y1030 HydrophobicContact CG1-CD2 4.21Å; I991-Y1030 HydrophobicContact CG1-CG 3.85Å; I991-Y1030 HydrophobicContact CG2-CD1 4.19Å; I991-Y1030 HydrophobicContact CG2-CD2 3.45Å; I991-Y1030 VanDerWaalsContact CG2-CD2 3.45Å; I991-Y1030 HydrophobicContact CG2-CE1 4.08Å; I991-Y1030 HydrophobicContact CG2-CE2 3.34Å; I991-Y1030 HydrophobicContact CG2-CG 3.87Å; I991-T1057 HydrophobicContact CG2-CG2 3.71Å
992L98.1Very high96.7Very high7 Ų729.5 Ų29.54%0.03716%0.164CC..Hα-helixtrans-69.9-35.3174.4-69.1179.4000112.5L980 E984 D988 W990 L995 S996 T1057 T1060 W1109L980-L992 HydrophobicContact CD2-CD1 3.5Å; L980-L992 VanDerWaalsContact CD2-CD1 3.5Å; E984-L992 HydrophobicContact CG-CD1 4.47Å; D988-L992 WeakPolarHBondContact O-CB 3.13Å; D988-L992 VanDerWaalsContact O-CG 3.28Å; D988-L992 WeakPolarHBondContact O-CG 3.47Å; D988-L992 PolarHBondContact O-N 3.29Å; D988-L992 VanDerWaalsContact O-N 3.09Å; W990-L992 VanDerWaalsContact C-N 3.26Å; W990-L992 PolarHBondContact O-N 3.21Å; L992-L995 HydrophobicContact CD2-CD2 4.37Å; L992-S996 WeakPolarHBondContact O-CB 3.46Å; L992-S996 PolarHBondContact O-N 2.89Å; L992-S996 PolarHBondContact O-OG 2.88Å; L992-T1057 HydrophobicContact CD1-CG2 4.13Å; L992-T1057 HydrophobicContact CD2-CG2 3.93Å; L992-T1057 HydrophobicContact CG-CG2 3.82Å; L992-T1060 HydrophobicContact CD2-CG2 4.36Å; L992-W1109 HydrophobicContact CB-CB 4.27Å; L992-W1109 HydrophobicContact CB-CD2 4.46Å; L992-W1109 HydrophobicContact CB-CE3 3.84Å; L992-W1109 HydrophobicContact CD1-CE3 4.32Å; L992-W1109 HydrophobicContact CD2-CE3 3.77Å; L992-W1109 HydrophobicContact CD2-CZ3 3.67Å; L992-W1109 HydrophobicContact CG-CE3 4.18Å
993S98.1Very high97Very high0 Ų027.2 Ų27.20%014%0.136CC..Hα-helixtrans-61.7-49.9169177.40000110.5R989 W990 L995 S996 A997 W1109 N1110 S1111 D1115R989-S993 WeakPolarHBondContact O-CB 3.24Å; R989-S993 PolarHBondContact O-N 3.25Å; W990-S993 WeakPolarHBondContact O-CB 3.49Å; W990-S993 PolarHBondContact O-N 2.71Å; W990-S993 VanDerWaalsContact O-N 3.12Å; S993-L995 PolarHBondContact O-N 2.73Å; S993-S996 WeakPolarHBondContact O-CB 3.25Å; S993-S996 PolarHBondContact O-N 2.96Å; S993-S996 VanDerWaalsContact O-N 3.13Å; S993-A997 PolarHBondContact O-N 3.47Å; S993-W1109 WeakPolarHBondContact CA-O 3.45Å; S993-N1110 PolarHBondContact O-OD1 3.36Å; S993-S1111 PolarHBondContact OG-N 3.15Å; S993-D1115 VanDerWaalsContact CB-OD1 3.3Å; S993-D1115 WeakPolarHBondContact CB-OD1 3.44Å; S993-D1115 VanDerWaalsContact OG-CG 3.32Å; S993-D1115 PolarHBondContact OG-OD1 3.5Å; S993-D1115 PolarHBondContact OG-OD2 3.01Å
994R98.3Very high97.2Very high69 Ų6925.2 Ų25.226%0.2613%0.133SC..Hα-helixtrans-62-39.1177.4-61.8-43.1-61.8170.3-2.5113.7W990 I991 A997 A998 E1025 D1115W990-R994 HydrophobicContact CD2-CG 4.16Å; W990-R994 HydrophobicContact CG-CG 4.46Å; W990-R994 HydrophobicContact CZ2-CG 3.89Å; W990-R994 WeakPolarHBondContact O-CG 3.3Å; W990-R994 PolarHBondContact O-N 3.07Å; I991-R994 HydrophobicContact CD1-CB 4.48Å; I991-R994 PolarHBondContact O-N 3.17Å; R994-A997 PolarHBondContact O-N 2.65Å; R994-A998 PolarHBondContact O-N 2.77Å; R994-E1025 WeakPolarHBondContact CB-OE2 3.34Å; R994-E1025 HydrophobicContact CG-CG 4.47Å; R994-E1025 IonicContact CZ-OE1 3.64Å; R994-E1025 IonicContact NE-OE1 3.4Å; R994-E1025 PolarHBondContact NE-OE1 2.87Å; R994-E1025 IonicContact NE-OE2 3.49Å; R994-E1025 IonicContact NH2-OE1 2.69Å; R994-E1025 PolarHBondContact NH2-OE1 3.29Å; R994-D1115 WeakPolarHBondContact CD-OD2 3.36Å; R994-D1115 IonicContact CZ-OD2 2.74Å; R994-D1115 IonicContact NH1-OD2 3.15Å; R994-D1115 PolarHBondContact NH1-OD2 2.83Å
995L98.4Very high97.3Very high0 Ų024.2 Ų24.20%013%0.129CC..Hα-helixtrans-60.6-46.4172.9178.867.6000111.1I991 L992 S993 A997 A998 V999 F1021 T1060 V1064 L1068I991-L995 VanDerWaalsContact O-CB 3.32Å; I991-L995 WeakPolarHBondContact O-CB 3.29Å; I991-L995 PolarHBondContact O-N 3.05Å; L992-L995 HydrophobicContact CD2-CD2 4.37Å; S993-L995 PolarHBondContact O-N 2.73Å; L995-A997 VanDerWaalsContact C-N 3.3Å; L995-A997 PolarHBondContact O-N 3.09Å; L995-A998 WeakPolarHBondContact O-CB 3.41Å; L995-A998 PolarHBondContact O-N 2.95Å; L995-A998 VanDerWaalsContact O-N 3.15Å; L995-V999 WeakPolarHBondContact O-CG2 3.45Å; L995-V999 PolarHBondContact O-N 3.07Å; L995-F1021 HydrophobicContact CB-CD2 4.45Å; L995-F1021 HydrophobicContact CB-CE2 3.67Å; L995-F1021 HydrophobicContact CB-CZ 4.02Å; L995-F1021 HydrophobicContact CD1-CD1 4.41Å; L995-F1021 HydrophobicContact CD1-CD2 4.47Å; L995-F1021 HydrophobicContact CD1-CE1 3.74Å; L995-F1021 HydrophobicContact CD1-CE2 3.81Å; L995-F1021 HydrophobicContact CD1-CZ 3.4Å; L995-F1021 VanDerWaalsContact CD1-CZ 3.4Å; L995-F1021 HydrophobicContact CG-CE2 4.35Å; L995-F1021 HydrophobicContact CG-CZ 4.25Å; L995-T1060 HydrophobicContact CD2-CG2 4.33Å; L995-V1064 HydrophobicContact CD1-CB 3.94Å; L995-V1064 HydrophobicContact CD1-CG1 3.7Å; L995-V1064 HydrophobicContact CD2-CB 3.96Å; L995-V1064 HydrophobicContact CD2-CG1 4.08Å; L995-V1064 HydrophobicContact CD2-CG2 4.22Å; L995-V1064 HydrophobicContact CG-CB 4.42Å; L995-V1064 HydrophobicContact CG-CG1 4.1Å; L995-L1068 HydrophobicContact CD1-CD1 4.46Å
996S97.9Very high97.5Very high1 Ų123 Ų231%0.00712%0.121CC..Hα-helixtrans-62.5-38.4178.4-58.80000111.4L992 S993 V999 A1000 F1107 W1109 N1110L992-S996 WeakPolarHBondContact O-CB 3.46Å; L992-S996 PolarHBondContact O-N 2.89Å; L992-S996 PolarHBondContact O-OG 2.88Å; S993-S996 WeakPolarHBondContact O-CB 3.25Å; S993-S996 PolarHBondContact O-N 2.96Å; S993-S996 VanDerWaalsContact O-N 3.13Å; S996-V999 PolarHBondContact O-N 3.09Å; S996-A1000 PolarHBondContact O-N 2.9Å; S996-F1107 VanDerWaalsContact CB-O 3.26Å; S996-F1107 WeakPolarHBondContact CB-O 3.28Å; S996-F1107 PolarHBondContact OG-O 2.81Å; S996-W1109 PolarHBondContact OG-N 2.87Å; S996-N1110 WeakPolarHBondContact CB-OD1 3.33Å
997A97.9Very high97.5Very high18 Ų1827.6 Ų27.615%0.14914%0.139CC..Hα-helixtrans-64-43.1172.600000111.9S993 R994 L995 V999 A1000 L1001 N1110S993-A997 PolarHBondContact O-N 3.47Å; R994-A997 PolarHBondContact O-N 2.65Å; L995-A997 VanDerWaalsContact C-N 3.3Å; L995-A997 PolarHBondContact O-N 3.09Å; A997-V999 PolarHBondContact O-N 3.26Å; A997-A1000 PolarHBondContact O-N 2.7Å; A997-L1001 WeakPolarHBondContact O-CB 3.34Å; A997-L1001 VanDerWaalsContact O-CG 3.3Å; A997-L1001 WeakPolarHBondContact O-CG 3.43Å; A997-L1001 PolarHBondContact O-N 2.98Å; A997-N1110 PolarHBondContact N-OD1 3.37Å
998A98.4Very high97.5Very high4 Ų430.7 Ų30.73%0.03316%0.164CC..Hα-helixtrans-62.7-40.7175.900000112.2R994 L995 L1001 C1002 F1021 L1068R994-A998 PolarHBondContact O-N 2.77Å; L995-A998 WeakPolarHBondContact O-CB 3.41Å; L995-A998 PolarHBondContact O-N 2.95Å; L995-A998 VanDerWaalsContact O-N 3.15Å; A998-L1001 PolarHBondContact O-N 3.13Å; A998-C1002 WeakPolarHBondContact O-CB 3.26Å; A998-C1002 PolarHBondContact O-N 2.85Å; A998-C1002 PolarHBondContact O-SG 2.91Å; A998-F1021 HydrophobicContact CB-CB 3.98Å; A998-F1021 HydrophobicContact CB-CD2 4.44Å; A998-F1021 HydrophobicContact CB-CG 4.24Å; A998-L1068 HydrophobicContact CB-CD1 4.19Å
999V98.6Very high97.4Very high0 Ų032.1 Ų32.10%017%0.17CC..Hα-helixtrans-59-48.7173.8173.70000110.6L995 S996 A997 L1001 C1002 D1003 V1064 L1068 P1102 T1104 F1107L995-V999 WeakPolarHBondContact O-CG2 3.45Å; L995-V999 PolarHBondContact O-N 3.07Å; S996-V999 PolarHBondContact O-N 3.09Å; A997-V999 PolarHBondContact O-N 3.26Å; V999-L1001 PolarHBondContact O-N 2.86Å; V999-C1002 PolarHBondContact O-N 2.81Å; V999-D1003 WeakPolarHBondContact O-CB 3.18Å; V999-D1003 PolarHBondContact O-N 2.73Å; V999-V1064 HydrophobicContact CG2-CG1 4.05Å; V999-L1068 HydrophobicContact CG2-CD1 3.98Å; V999-L1068 HydrophobicContact CG2-CD2 4.11Å; V999-L1068 HydrophobicContact CG2-CG 4.42Å; V999-P1102 HydrophobicContact CG1-CB 4.17Å; V999-P1102 HydrophobicContact CG2-CB 3.92Å; V999-T1104 HydrophobicContact CG1-CG2 4.06Å; V999-F1107 HydrophobicContact CG2-CB 4.11Å; V999-F1107 HydrophobicContact CG2-CD2 4.42Å; V999-F1107 HydrophobicContact CG2-CG 4.42Å
1000A97.8Very high97.3Very high35 Ų3529.6 Ų29.629%0.28917%0.166SC..Hα-helixtrans-64.3-40.5179.700000113.2S996 A997 S1004 T1104S996-A1000 PolarHBondContact O-N 2.9Å; A997-A1000 PolarHBondContact O-N 2.7Å; A1000-S1004 WeakPolarHBondContact O-CB 3.41Å; A1000-S1004 PolarHBondContact O-N 3.46Å; A1000-S1004 PolarHBondContact O-OG 3.27Å; A1000-T1104 HydrophobicContact CB-CG2 4.09Å
1001L98Very high97.3Very high88 Ų8828.7 Ų28.746%0.46116%0.162SC..Hα-helixtrans-66.5-38.7176.2-71.9170.6000112.1A997 A998 V999 S1004 G1005 A1017A997-L1001 WeakPolarHBondContact O-CB 3.34Å; A997-L1001 VanDerWaalsContact O-CG 3.3Å; A997-L1001 WeakPolarHBondContact O-CG 3.43Å; A997-L1001 PolarHBondContact O-N 2.98Å; A998-L1001 PolarHBondContact O-N 3.13Å; V999-L1001 PolarHBondContact O-N 2.86Å; L1001-S1004 WeakPolarHBondContact CA-OG 3.48Å; L1001-S1004 PolarHBondContact O-OG 3.01Å; L1001-S1004 VanDerWaalsContact O-OG 3.09Å; L1001-G1005 PolarHBondContact O-N 3.26Å; L1001-A1017 HydrophobicContact CB-CB 3.69Å; L1001-A1017 HydrophobicContact CD1-CB 4.05Å
1002C98.3Very high97.1Very high0 Ų029.6 Ų29.60%017%0.168CC..Hα-helixtrans-67-46.7175.2-66.20000111.5A998 V999 S1004 G1005 F1006 I1014 V1018 L1068A998-C1002 WeakPolarHBondContact O-CB 3.26Å; A998-C1002 PolarHBondContact O-N 2.85Å; A998-C1002 PolarHBondContact O-SG 2.91Å; V999-C1002 PolarHBondContact O-N 2.81Å; C1002-S1004 PolarHBondContact O-N 2.82Å; C1002-G1005 PolarHBondContact O-N 2.88Å; C1002-F1006 WeakPolarHBondContact O-CD2 3.37Å; C1002-F1006 PolarHBondContact O-N 2.85Å; C1002-I1014 HydrophobicContact CB-CG2 4.31Å; C1002-V1018 WeakPolarHBondContact SG-CG2 3.35Å; C1002-L1068 HydrophobicContact CB-CD2 4.12Å
1003D96.5Very high97Very high22 Ų2230.8 Ų30.812%0.11818%0.179CC..Hα-helixtrans-59.6-46.7179.2176.565.4000112.1V999 K1007 T1104V999-D1003 WeakPolarHBondContact O-CB 3.18Å; V999-D1003 PolarHBondContact O-N 2.73Å; D1003-K1007 VanDerWaalsContact CG-NZ 3.29Å; D1003-K1007 WeakPolarHBondContact O-CG 3.27Å; D1003-K1007 PolarHBondContact O-N 2.93Å; D1003-K1007 VanDerWaalsContact OD1-CE 3.22Å; D1003-K1007 WeakPolarHBondContact OD1-CE 3.48Å; D1003-K1007 IonicContact OD1-NZ 3.35Å; D1003-K1007 PolarHBondContact OD1-NZ 3.47Å; D1003-K1007 VanDerWaalsContact OD1-NZ 3.16Å; D1003-K1007 WeakPolarHBondContact OD2-CE 3.45Å; D1003-K1007 IonicContact OD2-NZ 2.81Å; D1003-K1007 PolarHBondContact OD2-NZ 2.96Å; D1003-T1104 HydrophobicContact CB-CG2 4.2Å
1004S97.1Very high97Very high59 Ų5930.8 Ų30.841%0.41318%0.179SC..Hα-helixtrans-65.2-41.7175.1540000112.5A1000 L1001 C1002 K1007 A1008A1000-S1004 WeakPolarHBondContact O-CB 3.41Å; A1000-S1004 PolarHBondContact O-N 3.46Å; A1000-S1004 PolarHBondContact O-OG 3.27Å; L1001-S1004 WeakPolarHBondContact CA-OG 3.48Å; L1001-S1004 PolarHBondContact O-OG 3.01Å; L1001-S1004 VanDerWaalsContact O-OG 3.09Å; C1002-S1004 PolarHBondContact O-N 2.82Å; S1004-K1007 PolarHBondContact O-N 2.99Å; S1004-A1008 WeakPolarHBondContact O-CB 3.2Å; S1004-A1008 PolarHBondContact O-N 3.43Å
1005G97.3Very high97Very high3 Ų327.7 Ų27.73%0.03117%0.168CC..Hα-helixtrans-60.9-44.417700000112.9L1001 C1002 A1008 Y1009 D1010L1001-G1005 PolarHBondContact O-N 3.26Å; C1002-G1005 PolarHBondContact O-N 2.88Å; G1005-A1008 CarbonylContact O-C 3.59Å; G1005-A1008 PolarHBondContact O-N 3.1Å; G1005-Y1009 PolarHBondContact O-N 3.29Å; G1005-D1010 PolarHBondContact O-N 2.89Å
1006F97.3Very high97Very high1 Ų131.2 Ų31.20%0.00419%0.189CC..Hα-helixtrans-63.3-43.1176.7-85.8-66.3000112.3C369 L370 W373 C1002 A1008 Y1009 I1014 P1071 Y1101C369-F1006 WeakPolarHBondContact SG-CE1 3.2Å; C369-F1006 VanDerWaalsContact SG-CZ 3.59Å; L370-F1006 HydrophobicContact CD2-CD1 4.19Å; W373-F1006 HydrophobicContact CB-CD1 4Å; W373-F1006 HydrophobicContact CB-CE1 3.8Å; W373-F1006 HydrophobicContact CB-CE2 4.42Å; W373-F1006 HydrophobicContact CB-CG 4.38Å; W373-F1006 HydrophobicContact CB-CZ 4.05Å; W373-F1006 AromaticContact CD1-CD2 3.49Å; W373-F1006 VanDerWaalsContact CD1-CD2 3.49Å; W373-F1006 AromaticContact CD1-CE2 3.73Å; W373-F1006 AromaticContact CD1-CG 3.82Å; W373-F1006 HydrophobicContact CD2-CB 3.68Å; W373-F1006 AromaticContact CD2-CD1 3.88Å; W373-F1006 HydrophobicContact CD2-CD1 3.88Å; W373-F1006 HydrophobicContact CD2-CD2 4.12Å; W373-F1006 AromaticContact CD2-CG 3.63Å; W373-F1006 HydrophobicContact CD2-CG 3.63Å; W373-F1006 VanDerWaalsContact CE2-CB 3.46Å; W373-F1006 AromaticContact CE2-CD2 3.95Å; W373-F1006 AromaticContact CE2-CG 3.71Å; W373-F1006 HydrophobicContact CE3-CB 3.95Å; W373-F1006 HydrophobicContact CE3-CD1 4.19Å; W373-F1006 HydrophobicContact CE3-CG 4.19Å; W373-F1006 HydrophobicContact CG-CB 4.3Å; W373-F1006 AromaticContact CG-CD1 3.8Å; W373-F1006 HydrophobicContact CG-CD1 3.8Å; W373-F1006 AromaticContact CG-CD2 3.84Å; W373-F1006 HydrophobicContact CG-CD2 3.84Å; W373-F1006 HydrophobicContact CG-CE1 4.02Å; W373-F1006 HydrophobicContact CG-CE2 4.09Å; W373-F1006 AromaticContact CG-CG 3.71Å; W373-F1006 HydrophobicContact CG-CG 3.71Å; W373-F1006 HydrophobicContact CG-CZ 4.18Å; W373-F1006 HydrophobicContact CH2-CB 3.84Å; W373-F1006 HydrophobicContact CZ2-CB 3.56Å; W373-F1006 HydrophobicContact CZ2-CG 4.32Å; W373-F1006 HydrophobicContact CZ3-CB 4.02Å; W373-F1006 AromaticContact NE1-CD2 3.55Å; W373-F1006 AromaticContact NE1-CG 3.81Å; C1002-F1006 WeakPolarHBondContact O-CD2 3.37Å; C1002-F1006 PolarHBondContact O-N 2.85Å; F1006-A1008 PolarHBondContact O-N 3.38Å; F1006-Y1009 PolarHBondContact O-N 2.88Å; F1006-I1014 HydrophobicContact CB-CD1 4.3Å; F1006-I1014 HydrophobicContact CD1-CD1 3.68Å; F1006-I1014 HydrophobicContact CD2-CD1 3.77Å; F1006-I1014 HydrophobicContact CD2-CG1 4.39Å; F1006-I1014 HydrophobicContact CE1-CD1 3.83Å; F1006-I1014 HydrophobicContact CE2-CD1 3.89Å; F1006-I1014 HydrophobicContact CE2-CG2 3.91Å; F1006-I1014 HydrophobicContact CG-CD1 3.64Å; F1006-I1014 HydrophobicContact CZ-CD1 3.92Å; F1006-I1014 HydrophobicContact CZ-CG2 4.23Å; F1006-P1071 HydrophobicContact CZ-CB 3.99Å; F1006-P1071 HydrophobicContact CZ-CG 4.25Å; F1006-Y1101 AromaticContact CE2-CZ 3.94Å; F1006-Y1101 WeakPolarHBondContact CE2-OH 3.47Å
1007K95.1Very high97Very high126 Ų12631.5 Ų31.555%0.54819%0.192SC..Hα-helixtrans-63.8-28.9176.7-71.8168.8-179.51670113W373 D1003 S1004W373-K1007 HydrophobicContact CH2-CG 4.06Å; W373-K1007 HydrophobicContact CZ2-CG 4.47Å; D1003-K1007 VanDerWaalsContact CG-NZ 3.29Å; D1003-K1007 WeakPolarHBondContact O-CG 3.27Å; D1003-K1007 PolarHBondContact O-N 2.93Å; D1003-K1007 VanDerWaalsContact OD1-CE 3.22Å; D1003-K1007 WeakPolarHBondContact OD1-CE 3.48Å; D1003-K1007 IonicContact OD1-NZ 3.35Å; D1003-K1007 PolarHBondContact OD1-NZ 3.47Å; D1003-K1007 VanDerWaalsContact OD1-NZ 3.16Å; D1003-K1007 WeakPolarHBondContact OD2-CE 3.45Å; D1003-K1007 IonicContact OD2-NZ 2.81Å; D1003-K1007 PolarHBondContact OD2-NZ 2.96Å; S1004-K1007 PolarHBondContact O-N 2.99Å
1008A94.9Very high97Very high66 Ų6630.6 Ų30.655%0.54519%0.185SC..Hα-helixtrans-97.1-1.4-179.200000114.3S1004 G1005 F1006 D1010S1004-A1008 WeakPolarHBondContact O-CB 3.2Å; S1004-A1008 PolarHBondContact O-N 3.43Å; G1005-A1008 CarbonylContact O-C 3.59Å; G1005-A1008 PolarHBondContact O-N 3.1Å; F1006-A1008 PolarHBondContact O-N 3.38Å; A1008-D1010 HydrophobicContact CB-CB 4.39Å; A1008-D1010 PolarHBondContact O-N 3.28Å
1009Y95.3Very high97Very high30 Ų3033.3 Ų33.312%0.11819%0.194CC..THydrogen-bonded Turntrans58.326.3-169.5-51-78.1000114.1L370 I705 L822 E852 Y854 G1005 F1006 F1011L370-Y1009 HydrophobicContact CD1-CD1 4.13Å; L370-Y1009 HydrophobicContact CD1-CE1 4.08Å; L370-Y1009 HydrophobicContact CD2-CD1 4.05Å; L370-Y1009 HydrophobicContact CD2-CE1 4.06Å; I705-Y1009 HydrophobicContact CD1-CD2 4.05Å; I705-Y1009 HydrophobicContact CD1-CE2 3.58Å; I705-Y1009 HydrophobicContact CG2-CD2 4.31Å; L822-Y1009 HydrophobicContact CD1-CE1 4.44Å; L822-Y1009 HydrophobicContact CD2-CE1 3.88Å; E852-Y1009 PolarHBondContact OE2-OH 3.01Å; Y854-Y1009 HydrophobicContact CD1-CD1 4.33Å; Y854-Y1009 HydrophobicContact CD2-CD1 4.45Å; Y854-Y1009 HydrophobicContact CD2-CD2 4.25Å; Y854-Y1009 AromaticContact CD2-CG 3.93Å; Y854-Y1009 HydrophobicContact CD2-CG 3.93Å; Y854-Y1009 HydrophobicContact CE2-CG 4.21Å; Y854-Y1009 HydrophobicContact CG-CD1 4.19Å; Y854-Y1009 HydrophobicContact CG-CG 4.13Å; G1005-Y1009 PolarHBondContact O-N 3.29Å; F1006-Y1009 PolarHBondContact O-N 2.88Å; Y1009-F1011 WeakPolarHBondContact O-CD2 3.26Å; Y1009-F1011 WeakPolarHBondContact O-CE2 3.49Å; Y1009-F1011 PolarHBondContact O-N 3.17Å
1010D95.1Very high96.9Very high74 Ų7436 Ų3640%0.39621%0.209SC..  trans-91.271.5179.7-168.4-17.3000110.9G1005 A1008 P1012 A1013 I1014G1005-D1010 PolarHBondContact O-N 2.89Å; A1008-D1010 HydrophobicContact CB-CB 4.39Å; A1008-D1010 PolarHBondContact O-N 3.28Å; D1010-P1012 VanDerWaalsContact C-N 3.31Å; D1010-P1012 VanDerWaalsContact OD1-CD 3.23Å; D1010-P1012 WeakPolarHBondContact OD1-CD 3.32Å; D1010-A1013 HydrophobicContact CB-CB 4.07Å; D1010-A1013 PolarHBondContact O-N 2.98Å; D1010-A1013 WeakPolarHBondContact OD1-CB 3.41Å; D1010-A1013 PolarHBondContact OD1-N 3.34Å; D1010-I1014 WeakPolarHBondContact O-CG1 3.17Å; D1010-I1014 PolarHBondContact O-N 3.46Å
1011F96Very high97Very high0 Ų034.4 Ų34.40%020%0.195CC..Hα-helixtrans-56-36.2176.5-57.2-83.3000114.3I366 C369 L370 Y854 C931 Y1009 I1014 T1015I366-F1011 HydrophobicContact CB-CZ 4.42Å; I366-F1011 HydrophobicContact CG1-CD2 4.5Å; I366-F1011 HydrophobicContact CG1-CE2 4.37Å; I366-F1011 HydrophobicContact CG2-CE1 4.3Å; I366-F1011 HydrophobicContact CG2-CE2 3.77Å; I366-F1011 HydrophobicContact CG2-CZ 3.57Å; C369-F1011 HydrophobicContact CB-CE1 4.34Å; L370-F1011 HydrophobicContact CD1-CZ 4.01Å; L370-F1011 HydrophobicContact CD2-CE1 4.32Å; L370-F1011 HydrophobicContact CD2-CZ 4.01Å; L370-F1011 HydrophobicContact CG-CE1 4.17Å; L370-F1011 HydrophobicContact CG-CZ 3.86Å; Y854-F1011 AromaticContact CE1-CE2 3.75Å; Y854-F1011 HydrophobicContact CE1-CE2 3.75Å; C931-F1011 HydrophobicContact CB-CB 4.11Å; Y1009-F1011 WeakPolarHBondContact O-CD2 3.26Å; Y1009-F1011 WeakPolarHBondContact O-CE2 3.49Å; Y1009-F1011 PolarHBondContact O-N 3.17Å; F1011-I1014 HydrophobicContact CD1-CD1 4.29Å; F1011-I1014 PolarHBondContact O-N 3.28Å; F1011-T1015 WeakPolarHBondContact O-CG2 3.35Å; F1011-T1015 PolarHBondContact O-N 3.44Å; F1011-T1015 PolarHBondContact O-OG1 3.08Å
1012P95Very high97Very high18 Ų1830.2 Ų30.212%0.11717%0.173CC..Hα-helixtrans-61.7-42.1174.8-25.637.5000112.4T934 S935 D1010 T1015 T1016T934-P1012 WeakPolarHBondContact OG1-CD 3.27Å; T934-P1012 WeakPolarHBondContact OG1-CG 3.28Å; S935-P1012 VanDerWaalsContact N-CG 3.34Å; D1010-P1012 VanDerWaalsContact C-N 3.31Å; D1010-P1012 VanDerWaalsContact OD1-CD 3.23Å; D1010-P1012 WeakPolarHBondContact OD1-CD 3.32Å; P1012-T1015 WeakPolarHBondContact CA-OG1 3.48Å; P1012-T1015 PolarHBondContact O-N 3.22Å; P1012-T1015 PolarHBondContact O-OG1 2.91Å; P1012-T1016 VanDerWaalsContact O-CB 3.31Å; P1012-T1016 WeakPolarHBondContact O-CB 3.15Å; P1012-T1016 PolarHBondContact O-N 3.45Å; P1012-T1016 PolarHBondContact O-OG1 3.34Å
1013A96.2Very high96.9Very high33 Ų3331.3 Ų31.327%0.27318%0.179SC..Hα-helixtrans-61.2-43.7174.300000111.9D1010 T1016 A1017D1010-A1013 HydrophobicContact CB-CB 4.07Å; D1010-A1013 PolarHBondContact O-N 2.98Å; D1010-A1013 WeakPolarHBondContact OD1-CB 3.41Å; D1010-A1013 PolarHBondContact OD1-N 3.34Å; A1013-T1016 PolarHBondContact O-N 3.13Å; A1013-A1017 WeakPolarHBondContact O-CB 3.45Å; A1013-A1017 PolarHBondContact O-N 2.92Å
1014I98.2Very high96.9Very high0 Ų035.8 Ų35.80%020%0.195CC..Hα-helixtrans-61.3-52.6177.4-54.8166000110.4C1002 F1006 D1010 F1011 T1016 A1017 V1018 L1072C1002-I1014 HydrophobicContact CB-CG2 4.31Å; F1006-I1014 HydrophobicContact CB-CD1 4.3Å; F1006-I1014 HydrophobicContact CD1-CD1 3.68Å; F1006-I1014 HydrophobicContact CD2-CD1 3.77Å; F1006-I1014 HydrophobicContact CD2-CG1 4.39Å; F1006-I1014 HydrophobicContact CE1-CD1 3.83Å; F1006-I1014 HydrophobicContact CE2-CD1 3.89Å; F1006-I1014 HydrophobicContact CE2-CG2 3.91Å; F1006-I1014 HydrophobicContact CG-CD1 3.64Å; F1006-I1014 HydrophobicContact CZ-CD1 3.92Å; F1006-I1014 HydrophobicContact CZ-CG2 4.23Å; D1010-I1014 WeakPolarHBondContact O-CG1 3.17Å; D1010-I1014 PolarHBondContact O-N 3.46Å; F1011-I1014 HydrophobicContact CD1-CD1 4.29Å; F1011-I1014 PolarHBondContact O-N 3.28Å; I1014-T1016 VanDerWaalsContact C-N 3.28Å; I1014-T1016 PolarHBondContact O-N 2.81Å; I1014-A1017 PolarHBondContact O-N 2.87Å; I1014-V1018 WeakPolarHBondContact O-CG2 3.47Å; I1014-V1018 PolarHBondContact O-N 2.6Å; I1014-V1018 VanDerWaalsContact O-N 3.07Å; I1014-L1072 HydrophobicContact CG2-CD1 3.99Å
1015T97.8Very high96.9Very high4 Ų434.1 Ų34.13%0.02518%0.181CC..Hα-helixtrans-59.8-39.6-179.957.20000111.8F928 C931 A932 F1011 P1012 Y1019 L1072F928-T1015 HydrophobicContact CD1-CG2 4.41Å; F928-T1015 HydrophobicContact CD2-CG2 4.31Å; F928-T1015 HydrophobicContact CE1-CG2 4.2Å; F928-T1015 HydrophobicContact CE2-CG2 4.11Å; F928-T1015 HydrophobicContact CG-CG2 4.47Å; F928-T1015 HydrophobicContact CZ-CG2 4.06Å; F928-T1015 WeakPolarHBondContact CZ-O 3.14Å; C931-T1015 HydrophobicContact CB-CG2 3.82Å; A932-T1015 HydrophobicContact CB-CG2 4.19Å; F1011-T1015 WeakPolarHBondContact O-CG2 3.35Å; F1011-T1015 PolarHBondContact O-N 3.44Å; F1011-T1015 PolarHBondContact O-OG1 3.08Å; P1012-T1015 WeakPolarHBondContact CA-OG1 3.48Å; P1012-T1015 PolarHBondContact O-N 3.22Å; P1012-T1015 PolarHBondContact O-OG1 2.91Å; T1015-Y1019 WeakPolarHBondContact O-CB 3.38Å; T1015-Y1019 PolarHBondContact O-N 3.42Å; T1015-L1072 HydrophobicContact CG2-CD1 4.02Å; T1015-L1072 HydrophobicContact CG2-CD2 4.03Å
1016T97.7Very high96.9Very high73 Ų7334 Ų3445%0.44818%0.179SC..Hα-helixtrans-63.8-47.2176.4-58.10000111.7P1012 A1013 I1014 V1018 Y1019 N1020P1012-T1016 VanDerWaalsContact O-CB 3.31Å; P1012-T1016 WeakPolarHBondContact O-CB 3.15Å; P1012-T1016 PolarHBondContact O-N 3.45Å; P1012-T1016 PolarHBondContact O-OG1 3.34Å; A1013-T1016 PolarHBondContact O-N 3.13Å; I1014-T1016 VanDerWaalsContact C-N 3.28Å; I1014-T1016 PolarHBondContact O-N 2.81Å; T1016-V1018 PolarHBondContact O-N 2.87Å; T1016-Y1019 PolarHBondContact O-N 3.28Å; T1016-N1020 VanDerWaalsContact O-CB 3.28Å; T1016-N1020 WeakPolarHBondContact O-CB 3.48Å; T1016-N1020 PolarHBondContact O-N 3.37Å; T1016-N1020 PolarHBondContact O-ND2 3.04Å
1017A98.1Very high96.9Very high7 Ų734.3 Ų34.36%0.05818%0.181CC..Hα-helixtrans-59.6-49.6-179.500000111.5L1001 A1013 I1014 N1020 F1021L1001-A1017 HydrophobicContact CB-CB 3.69Å; L1001-A1017 HydrophobicContact CD1-CB 4.05Å; A1013-A1017 WeakPolarHBondContact O-CB 3.45Å; A1013-A1017 PolarHBondContact O-N 2.92Å; I1014-A1017 PolarHBondContact O-N 2.87Å; A1017-N1020 PolarHBondContact O-N 2.83Å; A1017-F1021 WeakPolarHBondContact O-CB 3.21Å; A1017-F1021 PolarHBondContact O-N 3.17Å
1018V97.9Very high96.8Very high0 Ų031.3 Ų31.30%017%0.171CC..Hα-helixtrans-69.6-39.2-179.2-176.50000111.8C1002 I1014 T1016 W1022 L1068 L1069C1002-V1018 WeakPolarHBondContact SG-CG2 3.35Å; I1014-V1018 WeakPolarHBondContact O-CG2 3.47Å; I1014-V1018 PolarHBondContact O-N 2.6Å; I1014-V1018 VanDerWaalsContact O-N 3.07Å; T1016-V1018 PolarHBondContact O-N 2.87Å; V1018-W1022 PolarHBondContact O-N 3.37Å; V1018-L1068 HydrophobicContact CG2-CB 4.2Å; V1018-L1069 HydrophobicContact CB-CD1 4.47Å; V1018-L1069 HydrophobicContact CG1-CB 3.8Å; V1018-L1069 HydrophobicContact CG1-CD1 3.56Å; V1018-L1069 HydrophobicContact CG1-CG 4.15Å
1019Y98.1Very high96.9Very high61 Ų6128.7 Ų28.724%0.23915%0.149CC..Hα-helixtrans-62.1-46.2176.2-173.7-93.5000111.6F928 Y950 F953 T1015 T1016 W1022 L1023 Y1024F928-Y1019 HydrophobicContact CE1-CD2 4.41Å; Y950-Y1019 HydrophobicContact CD1-CE2 4.38Å; Y950-Y1019 HydrophobicContact CE1-CD2 4.24Å; Y950-Y1019 HydrophobicContact CE1-CE2 4.23Å; F953-Y1019 HydrophobicContact CB-CE2 3.99Å; F953-Y1019 AromaticContact CD1-CD2 3.96Å; F953-Y1019 HydrophobicContact CD1-CD2 3.96Å; F953-Y1019 HydrophobicContact CD1-CE2 4.28Å; F953-Y1019 AromaticContact CD2-CD2 3.75Å; F953-Y1019 HydrophobicContact CD2-CD2 3.75Å; F953-Y1019 AromaticContact CD2-CE2 3.67Å; F953-Y1019 HydrophobicContact CD2-CE2 3.67Å; F953-Y1019 HydrophobicContact CE1-CD2 4.05Å; F953-Y1019 AromaticContact CE2-CD2 3.84Å; F953-Y1019 HydrophobicContact CE2-CD2 3.84Å; F953-Y1019 HydrophobicContact CE2-CE2 4.2Å; F953-Y1019 AromaticContact CG-CD2 3.81Å; F953-Y1019 HydrophobicContact CG-CD2 3.81Å; F953-Y1019 AromaticContact CG-CE2 3.72Å; F953-Y1019 HydrophobicContact CG-CE2 3.72Å; F953-Y1019 AromaticContact CZ-CD2 4Å; F953-Y1019 HydrophobicContact CZ-CD2 4Å; T1015-Y1019 WeakPolarHBondContact O-CB 3.38Å; T1015-Y1019 PolarHBondContact O-N 3.42Å; T1016-Y1019 PolarHBondContact O-N 3.28Å; Y1019-W1022 PolarHBondContact O-N 3.11Å; Y1019-L1023 HydrophobicContact CD1-CD2 4.42Å; Y1019-L1023 HydrophobicContact CE1-CB 4.43Å; Y1019-L1023 HydrophobicContact CE1-CD2 3.5Å; Y1019-L1023 VanDerWaalsContact CE1-CD2 3.5Å; Y1019-L1023 HydrophobicContact CE2-CD2 4.3Å; Y1019-L1023 VanDerWaalsContact CZ-CD2 3.43Å; Y1019-L1023 VanDerWaalsContact O-CB 3.28Å; Y1019-L1023 WeakPolarHBondContact O-CB 3.46Å; Y1019-L1023 PolarHBondContact O-N 3.49Å; Y1019-L1023 VanDerWaalsContact OH-CD2 3.25Å; Y1019-L1023 WeakPolarHBondContact OH-CD2 3.29Å; Y1019-Y1024 HydrophobicContact CD1-CE2 4.12Å; Y1019-Y1024 AromaticContact CE1-CE2 3.93Å; Y1019-Y1024 HydrophobicContact CE1-CE2 3.93Å
1020N97.9Very high96.9Very high57 Ų5727.3 Ų27.331%0.30514%0.143SC..Hα-helixtrans-63.8-45.1179.4-72.4-11.2000111.6T1016 A1017 Y1024 E1025T1016-N1020 VanDerWaalsContact O-CB 3.28Å; T1016-N1020 WeakPolarHBondContact O-CB 3.48Å; T1016-N1020 PolarHBondContact O-N 3.37Å; T1016-N1020 PolarHBondContact O-ND2 3.04Å; A1017-N1020 PolarHBondContact O-N 2.83Å; N1020-Y1024 HydrophobicContact CB-CD2 4.26Å; N1020-Y1024 PolarHBondContact O-N 2.87Å; N1020-Y1024 WeakPolarHBondContact OD1-CD2 3.47Å; N1020-Y1024 WeakPolarHBondContact OD1-CE2 3.38Å; N1020-E1025 PolarHBondContact O-N 3.44Å; N1020-E1025 VanDerWaalsContact O-N 3.08Å
1021F98.6Very high97Very high0 Ų024.2 Ų24.20%013%0.127CC..Iπ-helixtrans-57.9-52176.9175.5-104.2000111.8I991 L995 A998 A1017 E1025 L1026 C1061I991-F1021 HydrophobicContact CD1-CD2 4.42Å; I991-F1021 HydrophobicContact CD1-CE2 3.77Å; I991-F1021 HydrophobicContact CD1-CZ 4.48Å; I991-F1021 HydrophobicContact CG1-CE2 4.21Å; L995-F1021 HydrophobicContact CB-CD2 4.45Å; L995-F1021 HydrophobicContact CB-CE2 3.67Å; L995-F1021 HydrophobicContact CB-CZ 4.02Å; L995-F1021 HydrophobicContact CD1-CD1 4.41Å; L995-F1021 HydrophobicContact CD1-CD2 4.47Å; L995-F1021 HydrophobicContact CD1-CE1 3.74Å; L995-F1021 HydrophobicContact CD1-CE2 3.81Å; L995-F1021 HydrophobicContact CD1-CZ 3.4Å; L995-F1021 VanDerWaalsContact CD1-CZ 3.4Å; L995-F1021 HydrophobicContact CG-CE2 4.35Å; L995-F1021 HydrophobicContact CG-CZ 4.25Å; A998-F1021 HydrophobicContact CB-CB 3.98Å; A998-F1021 HydrophobicContact CB-CD2 4.44Å; A998-F1021 HydrophobicContact CB-CG 4.24Å; A1017-F1021 WeakPolarHBondContact O-CB 3.21Å; A1017-F1021 PolarHBondContact O-N 3.17Å; F1021-E1025 VanDerWaalsContact CA-OE2 3.27Å; F1021-E1025 WeakPolarHBondContact CA-OE2 3.23Å; F1021-L1026 HydrophobicContact CE1-CD2 4.25Å; F1021-L1026 HydrophobicContact CZ-CD2 4.47Å; F1021-L1026 WeakPolarHBondContact O-CB 3.34Å; F1021-L1026 PolarHBondContact O-N 3.41Å; F1021-C1061 HydrophobicContact CZ-CB 4.02Å
1022W98.1Very high96.9Very high1 Ų127.8 Ų27.80%0.00414%0.143CC..Iπ-helixtrans-68.5-47.6-177.6-87.4101.2000113F953 L957 A960 V961 V1018 Y1019 L1026 C1027 L1062 G1065 L1066F953-W1022 HydrophobicContact CE2-CB 3.77Å; F953-W1022 HydrophobicContact CZ-CB 3.81Å; F953-W1022 HydrophobicContact CZ-CG 4.31Å; L957-W1022 HydrophobicContact CD2-CB 3.83Å; L957-W1022 HydrophobicContact CD2-CD2 3.19Å; L957-W1022 HydrophobicContact CD2-CE3 3.34Å; L957-W1022 HydrophobicContact CD2-CG 3.42Å; L957-W1022 VanDerWaalsContact CD2-CG 3.42Å; L957-W1022 HydrophobicContact CD2-CH2 4.47Å; L957-W1022 HydrophobicContact CD2-CZ2 4.36Å; L957-W1022 HydrophobicContact CD2-CZ3 4Å; A960-W1022 HydrophobicContact CB-CZ3 4.24Å; V961-W1022 HydrophobicContact CG2-CH2 4.22Å; V961-W1022 HydrophobicContact CG2-CZ3 4.46Å; V1018-W1022 PolarHBondContact O-N 3.37Å; Y1019-W1022 PolarHBondContact O-N 3.11Å; W1022-L1026 HydrophobicContact CD2-CD2 4.26Å; W1022-L1026 HydrophobicContact CE3-CD2 3.62Å; W1022-L1026 HydrophobicContact CH2-CD2 4.32Å; W1022-L1026 HydrophobicContact CZ3-CD2 3.66Å; W1022-C1027 WeakPolarHBondContact O-CB 3.45Å; W1022-C1027 PolarHBondContact O-N 2.97Å; W1022-C1027 PolarHBondContact O-SG 3.47Å; W1022-L1062 HydrophobicContact CH2-CD2 3.77Å; W1022-L1062 HydrophobicContact CZ3-CD2 3.87Å; W1022-G1065 PolarHBondContact NE1-O 3.27Å; W1022-L1066 HydrophobicContact CH2-CD2 4.16Å; W1022-L1066 HydrophobicContact CH2-CG 4.17Å; W1022-L1066 HydrophobicContact CZ2-CD2 3.88Å; W1022-L1066 HydrophobicContact CZ2-CG 3.87Å
1023L96.5Very high96.8Very high22 Ų2227 Ų2712%0.11514%0.138CC..Iπ-helixtrans-82.2-60.4-171.5-176.662000111.9F953 K956 Y1019 C1027 D1028F953-L1023 HydrophobicContact CE2-CB 4.47Å; K956-L1023 HydrophobicContact CD-CD1 3.83Å; K956-L1023 HydrophobicContact CG-CD1 3.82Å; Y1019-L1023 HydrophobicContact CD1-CD2 4.42Å; Y1019-L1023 HydrophobicContact CE1-CB 4.43Å; Y1019-L1023 HydrophobicContact CE1-CD2 3.5Å; Y1019-L1023 VanDerWaalsContact CE1-CD2 3.5Å; Y1019-L1023 HydrophobicContact CE2-CD2 4.3Å; Y1019-L1023 VanDerWaalsContact CZ-CD2 3.43Å; Y1019-L1023 VanDerWaalsContact O-CB 3.28Å; Y1019-L1023 WeakPolarHBondContact O-CB 3.46Å; Y1019-L1023 PolarHBondContact O-N 3.49Å; Y1019-L1023 VanDerWaalsContact OH-CD2 3.25Å; Y1019-L1023 WeakPolarHBondContact OH-CD2 3.29Å; L1023-C1027 WeakPolarHBondContact O-CB 3.41Å; L1023-D1028 WeakPolarHBondContact O-CB 3.31Å; L1023-D1028 PolarHBondContact O-N 2.85Å
1024Y95.9Very high96.5Very high117 Ų11725.5 Ų25.546%0.45913%0.126SC..Iπ-helixtrans-84.2-34.2-168.1-58.7-51.6000112.6Y1019 N1020 V1029Y1019-Y1024 HydrophobicContact CD1-CE2 4.12Å; Y1019-Y1024 AromaticContact CE1-CE2 3.93Å; Y1019-Y1024 HydrophobicContact CE1-CE2 3.93Å; N1020-Y1024 HydrophobicContact CB-CD2 4.26Å; N1020-Y1024 PolarHBondContact O-N 2.87Å; N1020-Y1024 WeakPolarHBondContact OD1-CD2 3.47Å; N1020-Y1024 WeakPolarHBondContact OD1-CE2 3.38Å; Y1024-V1029 WeakPolarHBondContact O-CG2 3.47Å
1025E97.4Very high96.3Very high24 Ų2428.8 Ų28.811%0.11214%0.14CC..Iπ-helixtrans-93.1-54.4-174.3-59.4170.8161.500111.2W990 I991 R994 N1020 F1021 Y1030W990-E1025 HydrophobicContact CH2-CB 4.05Å; W990-E1025 HydrophobicContact CH2-CG 4.5Å; W990-E1025 HydrophobicContact CZ2-CB 4.47Å; W990-E1025 HydrophobicContact CZ2-CG 4.49Å; I991-E1025 HydrophobicContact CD1-CB 4.07Å; R994-E1025 WeakPolarHBondContact CB-OE2 3.34Å; R994-E1025 HydrophobicContact CG-CG 4.47Å; R994-E1025 IonicContact CZ-OE1 3.64Å; R994-E1025 IonicContact NE-OE1 3.4Å; R994-E1025 PolarHBondContact NE-OE1 2.87Å; R994-E1025 IonicContact NE-OE2 3.49Å; R994-E1025 IonicContact NH2-OE1 2.69Å; R994-E1025 PolarHBondContact NH2-OE1 3.29Å; N1020-E1025 PolarHBondContact O-N 3.44Å; N1020-E1025 VanDerWaalsContact O-N 3.08Å; F1021-E1025 VanDerWaalsContact CA-OE2 3.27Å; F1021-E1025 WeakPolarHBondContact CA-OE2 3.23Å; E1025-Y1030 PolarHBondContact O-N 2.71Å
1026L97.6Very high95.9Very high0 Ų029.7 Ų29.70%015%0.146CC..Iπ-helixtrans-73.8-59.1-178.9-178.859.7000111.6I991 F1021 W1022 Y1030 L1031 L1058 C1061 L1062I991-L1026 HydrophobicContact CD1-CB 4.32Å; I991-L1026 HydrophobicContact CG1-CD1 4.35Å; F1021-L1026 HydrophobicContact CE1-CD2 4.25Å; F1021-L1026 HydrophobicContact CZ-CD2 4.47Å; F1021-L1026 WeakPolarHBondContact O-CB 3.34Å; F1021-L1026 PolarHBondContact O-N 3.41Å; W1022-L1026 HydrophobicContact CD2-CD2 4.26Å; W1022-L1026 HydrophobicContact CE3-CD2 3.62Å; W1022-L1026 HydrophobicContact CH2-CD2 4.32Å; W1022-L1026 HydrophobicContact CZ3-CD2 3.66Å; L1026-Y1030 HydrophobicContact CD1-CD1 3.7Å; L1026-Y1030 HydrophobicContact CD1-CE1 4.49Å; L1026-Y1030 HydrophobicContact CD1-CG 4.46Å; L1026-Y1030 PolarHBondContact O-N 3.05Å; L1026-L1031 HydrophobicContact CD1-CD2 4.41Å; L1026-L1031 HydrophobicContact CD1-CG 4.39Å; L1026-L1031 HydrophobicContact CG-CG 4.48Å; L1026-L1031 WeakPolarHBondContact O-CG 3.18Å; L1026-L1031 PolarHBondContact O-N 3.2Å; L1026-L1058 HydrophobicContact CD1-CD1 4.34Å; L1026-C1061 HydrophobicContact CD1-CB 4.05Å; L1026-C1061 HydrophobicContact CD2-CB 4.46Å; L1026-L1062 HydrophobicContact CD2-CD2 4.27Å
1027C96.5Very high95.6Very high7 Ų726.9 Ų26.95%0.04713%0.129CC..Iπ-helixtrans-73.1-52-173.4-68.40000113.6A960 W1022 L1023A960-C1027 VanDerWaalsContact CB-SG 3.59Å; W1022-C1027 WeakPolarHBondContact O-CB 3.45Å; W1022-C1027 PolarHBondContact O-N 2.97Å; W1022-C1027 PolarHBondContact O-SG 3.47Å; L1023-C1027 WeakPolarHBondContact O-CB 3.41Å
1028D94.5Very high95.2Very high63 Ų6327.4 Ų27.434%0.33713%0.13SC..Iπ-helixtrans-79.6-20.3-168.9-70.5-4000113.3K956 L1023K956-D1028 IonicContact NZ-OD1 3.65Å; K956-D1028 PolarHBondContact NZ-OD1 3.22Å; L1023-D1028 WeakPolarHBondContact O-CB 3.31Å; L1023-D1028 PolarHBondContact O-N 2.85Å
1029V95.9Very high94.7Very high12 Ų1232 Ų327%0.07315%0.153CC..Iπ-helixtrans-119.3-63.2-177.3-179.80000111.7W990 Y1024 E1032 S1033 M1118 M1122 L1167W990-V1029 HydrophobicContact CE3-CG1 4.27Å; W990-V1029 HydrophobicContact CH2-CB 3.58Å; W990-V1029 HydrophobicContact CH2-CG1 3.39Å; W990-V1029 HydrophobicContact CH2-CG2 4.2Å; W990-V1029 HydrophobicContact CZ2-CG1 4.3Å; W990-V1029 HydrophobicContact CZ3-CB 3.8Å; W990-V1029 HydrophobicContact CZ3-CG1 3.36Å; Y1024-V1029 WeakPolarHBondContact O-CG2 3.47Å; V1029-E1032 PolarHBondContact O-N 3.14Å; V1029-S1033 VanDerWaalsContact O-CB 3.27Å; V1029-S1033 WeakPolarHBondContact O-CB 3.25Å; V1029-S1033 PolarHBondContact O-N 2.93Å; V1029-S1033 PolarHBondContact O-OG 2.95Å; V1029-M1118 HydrophobicContact CG1-CE 3.38Å; V1029-M1122 HydrophobicContact CG1-SD 4.13Å; V1029-M1122 HydrophobicContact CG2-CE 3.75Å; V1029-M1122 HydrophobicContact CG2-SD 4.19Å; V1029-L1167 HydrophobicContact CG1-CD1 3.96Å
1030Y96.9Very high94.1Very high0 Ų035 Ų350%016%0.164CC..Iπ-helixtrans-65.7-53.4-171.2-178.7-105.7000112.4A987 D988 I991 E1025 L1026 E1032 S1033 V1034 C1054 T1057 L1058A987-Y1030 HydrophobicContact CB-CD2 4.33Å; A987-Y1030 HydrophobicContact CB-CE2 4.41Å; A987-Y1030 WeakPolarHBondContact O-CD2 3.44Å; D988-Y1030 WeakPolarHBondContact OD1-CE2 3.46Å; D988-Y1030 PolarHBondContact OD1-OH 2.89Å; I991-Y1030 HydrophobicContact CB-CD1 4.43Å; I991-Y1030 HydrophobicContact CB-CD2 3.61Å; I991-Y1030 HydrophobicContact CB-CE2 4.07Å; I991-Y1030 HydrophobicContact CB-CG 3.81Å; I991-Y1030 HydrophobicContact CD1-CG 4.44Å; I991-Y1030 HydrophobicContact CG1-CD1 4.18Å; I991-Y1030 HydrophobicContact CG1-CD2 4.21Å; I991-Y1030 HydrophobicContact CG1-CG 3.85Å; I991-Y1030 HydrophobicContact CG2-CD1 4.19Å; I991-Y1030 HydrophobicContact CG2-CD2 3.45Å; I991-Y1030 VanDerWaalsContact CG2-CD2 3.45Å; I991-Y1030 HydrophobicContact CG2-CE1 4.08Å; I991-Y1030 HydrophobicContact CG2-CE2 3.34Å; I991-Y1030 HydrophobicContact CG2-CG 3.87Å; E1025-Y1030 PolarHBondContact O-N 2.71Å; L1026-Y1030 HydrophobicContact CD1-CD1 3.7Å; L1026-Y1030 HydrophobicContact CD1-CE1 4.49Å; L1026-Y1030 HydrophobicContact CD1-CG 4.46Å; L1026-Y1030 PolarHBondContact O-N 3.05Å; Y1030-E1032 PolarHBondContact O-N 3.24Å; Y1030-S1033 WeakPolarHBondContact O-CB 3.3Å; Y1030-S1033 PolarHBondContact O-N 2.86Å; Y1030-V1034 HydrophobicContact CD2-CG1 4.02Å; Y1030-V1034 HydrophobicContact CE1-CG1 4.2Å; Y1030-V1034 HydrophobicContact CE2-CG1 3.61Å; Y1030-V1034 HydrophobicContact CG-CG1 4.46Å; Y1030-V1034 WeakPolarHBondContact O-CG1 3.39Å; Y1030-V1034 WeakPolarHBondContact O-CG2 3.43Å; Y1030-V1034 PolarHBondContact O-N 2.96Å; Y1030-C1054 PolarHBondContact OH-SG 3.17Å; Y1030-T1057 HydrophobicContact CE2-CG2 4.49Å; Y1030-T1057 WeakPolarHBondContact OH-CB 3.39Å; Y1030-T1057 WeakPolarHBondContact OH-CG2 3.2Å; Y1030-L1058 HydrophobicContact CE1-CB 4.25Å; Y1030-L1058 HydrophobicContact CE1-CD1 4.27Å
1031L95.7Very high93.6Very high10 Ų1032.4 Ų32.45%0.05215%0.151CC..Hα-helixtrans-57-38.8179.3-71.4-172.1000112.2A960 F963 L1026 V1034 K1035 L1058A960-L1031 HydrophobicContact CB-CD1 4.11Å; F963-L1031 HydrophobicContact CD1-CD1 4.16Å; F963-L1031 HydrophobicContact CD1-CD2 4.11Å; F963-L1031 HydrophobicContact CE1-CB 4.48Å; F963-L1031 HydrophobicContact CE1-CD2 4.06Å; L1026-L1031 HydrophobicContact CD1-CD2 4.41Å; L1026-L1031 HydrophobicContact CD1-CG 4.39Å; L1026-L1031 HydrophobicContact CG-CG 4.48Å; L1026-L1031 WeakPolarHBondContact O-CG 3.18Å; L1026-L1031 PolarHBondContact O-N 3.2Å; L1031-V1034 WeakPolarHBondContact O-CG2 3.38Å; L1031-K1035 WeakPolarHBondContact O-CG 3.47Å; L1031-K1035 PolarHBondContact O-N 3.01Å; L1031-L1058 HydrophobicContact CD2-CD1 3.48Å; L1031-L1058 VanDerWaalsContact CD2-CD1 3.48Å; L1031-L1058 HydrophobicContact CD2-CD2 4.27Å
1032E94.4Very high92.9Very high74 Ų7438.7 Ų38.735%0.34618%0.184SC..Hα-helixtrans-69-40.9176-63.5-55.9141.600111.9V1029 Y1030 V1034 K1035 T1166 L1167V1029-E1032 PolarHBondContact O-N 3.14Å; Y1030-E1032 PolarHBondContact O-N 3.24Å; E1032-V1034 VanDerWaalsContact C-N 3.31Å; E1032-V1034 PolarHBondContact O-N 3.21Å; E1032-K1035 PolarHBondContact O-N 3.22Å; E1032-K1035 IonicContact OE1-NZ 2.85Å; E1032-K1035 PolarHBondContact OE1-NZ 3.47Å; E1032-K1035 WeakPolarHBondContact OE2-CE 3.28Å; E1032-K1035 IonicContact OE2-NZ 3.64Å; E1032-K1035 PolarHBondContact OE2-NZ 2.91Å; E1032-T1166 VanDerWaalsContact O-CG2 3.3Å; E1032-T1166 WeakPolarHBondContact O-CG2 3.27Å; E1032-L1167 HydrophobicContact CB-CD2 3.64Å
1033S92.3Very high92.3Very high2 Ų246.2 Ų46.21%0.01422%0.22CC..Hα-helixtrans-66.8-28.6-178.5-61.90000113.7V1029 Y1030 P1036V1029-S1033 VanDerWaalsContact O-CB 3.27Å; V1029-S1033 WeakPolarHBondContact O-CB 3.25Å; V1029-S1033 PolarHBondContact O-N 2.93Å; V1029-S1033 PolarHBondContact O-OG 2.95Å; Y1030-S1033 WeakPolarHBondContact O-CB 3.3Å; Y1030-S1033 PolarHBondContact O-N 2.86Å; S1033-P1036 WeakPolarHBondContact O-CD 3.49Å
1034V91.4Very high91.7Very high2 Ų248.8 Ų48.81%0.01223%0.234CC..Hα-helixtrans-93.1-15.1-176.9-59.10000113.7Y1030 L1031 E1032 P1036 V1037 F1038 C1054Y1030-V1034 HydrophobicContact CD2-CG1 4.02Å; Y1030-V1034 HydrophobicContact CE1-CG1 4.2Å; Y1030-V1034 HydrophobicContact CE2-CG1 3.61Å; Y1030-V1034 HydrophobicContact CG-CG1 4.46Å; Y1030-V1034 WeakPolarHBondContact O-CG1 3.39Å; Y1030-V1034 WeakPolarHBondContact O-CG2 3.43Å; Y1030-V1034 PolarHBondContact O-N 2.96Å; L1031-V1034 WeakPolarHBondContact O-CG2 3.38Å; E1032-V1034 VanDerWaalsContact C-N 3.31Å; E1032-V1034 PolarHBondContact O-N 3.21Å; V1034-P1036 VanDerWaalsContact C-CD 3.48Å; V1034-V1037 WeakPolarHBondContact O-CA 3.3Å; V1034-V1037 VanDerWaalsContact O-CB 3.29Å; V1034-V1037 WeakPolarHBondContact O-CB 3.45Å; V1034-V1037 PolarHBondContact O-N 3.31Å; V1034-F1038 HydrophobicContact CB-CD2 4.38Å; V1034-F1038 HydrophobicContact CB-CE2 3.86Å; V1034-F1038 HydrophobicContact CG2-CD2 4.24Å; V1034-F1038 HydrophobicContact CG2-CE2 3.61Å; V1034-F1038 WeakPolarHBondContact O-CD2 3.46Å; V1034-F1038 PolarHBondContact O-N 3.29Å; V1034-C1054 VanDerWaalsContact CB-SG 3.55Å; V1034-C1054 WeakPolarHBondContact CG1-SG 3.4Å
1035K92.3Very high90.9Very high68 Ų6848.2 Ų48.230%0.29625%0.247SC..Hα-helixtrans-50.5-46.6175.7-80.8169-167-179.40113.4F963 L1031 E1032 V1037 F1038 I1039F963-K1035 HydrophobicContact CE2-CG 4.31Å; F963-K1035 HydrophobicContact CZ-CD 4.37Å; F963-K1035 HydrophobicContact CZ-CG 3.72Å; L1031-K1035 WeakPolarHBondContact O-CG 3.47Å; L1031-K1035 PolarHBondContact O-N 3.01Å; E1032-K1035 PolarHBondContact O-N 3.22Å; E1032-K1035 IonicContact OE1-NZ 2.85Å; E1032-K1035 PolarHBondContact OE1-NZ 3.47Å; E1032-K1035 WeakPolarHBondContact OE2-CE 3.28Å; E1032-K1035 IonicContact OE2-NZ 3.64Å; E1032-K1035 PolarHBondContact OE2-NZ 2.91Å; K1035-V1037 VanDerWaalsContact C-N 3.26Å; K1035-V1037 PolarHBondContact O-N 3.23Å; K1035-F1038 PolarHBondContact O-N 3.01Å; K1035-I1039 WeakPolarHBondContact O-CG1 2.97Å; K1035-I1039 PolarHBondContact O-N 3.28Å; K1035-I1039 VanDerWaalsContact O-N 3.09Å
1036P90.7Very high90.1Very high24 Ų2451 Ų5116%0.15627%0.273CS..Hα-helixtrans-65.1-29177.6-19.732.6000113.5S1033 V1034 R1040 L1162 T1166S1033-P1036 WeakPolarHBondContact O-CD 3.49Å; V1034-P1036 VanDerWaalsContact C-CD 3.48Å; P1036-R1040 WeakPolarHBondContact O-CB 3.31Å; P1036-R1040 VanDerWaalsContact O-CG 3.27Å; P1036-R1040 WeakPolarHBondContact O-CG 3.3Å; P1036-R1040 PolarHBondContact O-N 3.37Å; P1036-L1162 HydrophobicContact CB-CD1 4.36Å; P1036-T1166 HydrophobicContact CG-CG2 3.75Å; P1036-T1166 WeakPolarHBondContact CG-OG1 3.14Å
1037V90.7Very high89.4Confident13 Ų1352.3 Ų52.38%0.07928%0.281CS..Hα-helixtrans-64.9-45.1177.5-177.30000109.7V1034 K1035 R1040 A1041 Q1050 A1051 L1162V1034-V1037 WeakPolarHBondContact O-CA 3.3Å; V1034-V1037 VanDerWaalsContact O-CB 3.29Å; V1034-V1037 WeakPolarHBondContact O-CB 3.45Å; V1034-V1037 PolarHBondContact O-N 3.31Å; K1035-V1037 VanDerWaalsContact C-N 3.26Å; K1035-V1037 PolarHBondContact O-N 3.23Å; V1037-R1040 PolarHBondContact O-N 3Å; V1037-A1041 WeakPolarHBondContact O-CB 3.4Å; V1037-A1041 PolarHBondContact O-N 2.7Å; V1037-Q1050 HydrophobicContact CG1-CG 4.11Å; V1037-A1051 HydrophobicContact CG1-CB 4.46Å; V1037-L1162 HydrophobicContact CG2-CD2 4.31Å
1038F89.5Confident88.9Confident18 Ų1855.5 Ų55.58%0.07930%0.296CS..Hα-helixtrans-68.1-41177.5-63-58000113T967 V1034 K1035 R1040 A1041 D1042 A1051 C1054 R1055T967-F1038 HydrophobicContact CG2-CB 4.44Å; T967-F1038 HydrophobicContact CG2-CD1 3.79Å; T967-F1038 HydrophobicContact CG2-CD2 3.26Å; T967-F1038 HydrophobicContact CG2-CE1 3.79Å; T967-F1038 HydrophobicContact CG2-CE2 3.21Å; T967-F1038 HydrophobicContact CG2-CG 3.55Å; T967-F1038 HydrophobicContact CG2-CZ 3.49Å; T967-F1038 VanDerWaalsContact CG2-CZ 3.49Å; V1034-F1038 HydrophobicContact CB-CD2 4.38Å; V1034-F1038 HydrophobicContact CB-CE2 3.86Å; V1034-F1038 HydrophobicContact CG2-CD2 4.24Å; V1034-F1038 HydrophobicContact CG2-CE2 3.61Å; V1034-F1038 WeakPolarHBondContact O-CD2 3.46Å; V1034-F1038 PolarHBondContact O-N 3.29Å; K1035-F1038 PolarHBondContact O-N 3.01Å; F1038-R1040 VanDerWaalsContact C-N 3.33Å; F1038-R1040 PolarHBondContact O-N 3.49Å; F1038-A1041 PolarHBondContact O-N 3.32Å; F1038-D1042 PolarHBondContact O-N 2.68Å; F1038-A1051 HydrophobicContact CD1-CB 4.04Å; F1038-A1051 HydrophobicContact CE1-CB 4.18Å; F1038-C1054 HydrophobicContact CE1-CB 4.18Å; F1038-C1054 HydrophobicContact CZ-CB 3.89Å; F1038-C1054 VanDerWaalsContact CZ-SG 3.53Å; F1038-R1055 HydrophobicContact CE1-CG 3.75Å; F1038-R1055 HydrophobicContact CZ-CG 4.27Å
1039I88.1Confident88.7Confident97 Ų9758 Ų5850%0.49730%0.3SS..Hα-helixtrans-60.3-44.9176-66.8164.8000110.7K1035 A1041 D1042 E1043K1035-I1039 WeakPolarHBondContact O-CG1 2.97Å; K1035-I1039 PolarHBondContact O-N 3.28Å; K1035-I1039 VanDerWaalsContact O-N 3.09Å; I1039-A1041 VanDerWaalsContact C-N 3.34Å; I1039-A1041 PolarHBondContact O-N 2.8Å; I1039-D1042 PolarHBondContact O-N 2.58Å; I1039-E1043 PolarHBondContact O-N 3.26Å
1040R86.2Confident88.4Confident124 Ų12461.4 Ų61.447%0.46832%0.316SS..Hα-helixtrans-65.5-35.7178.2-73.1176.1-174.1-179.52.9112.7P1036 V1037 F1038 D1042 E1043 D1044 T1047P1036-R1040 WeakPolarHBondContact O-CB 3.31Å; P1036-R1040 VanDerWaalsContact O-CG 3.27Å; P1036-R1040 WeakPolarHBondContact O-CG 3.3Å; P1036-R1040 PolarHBondContact O-N 3.37Å; V1037-R1040 PolarHBondContact O-N 3Å; F1038-R1040 VanDerWaalsContact C-N 3.33Å; F1038-R1040 PolarHBondContact O-N 3.49Å; R1040-D1042 VanDerWaalsContact C-N 3.26Å; R1040-D1042 PolarHBondContact O-N 3.47Å; R1040-E1043 CarbonylContact O-C 3.59Å; R1040-E1043 PolarHBondContact O-N 3.26Å; R1040-D1044 PolarHBondContact O-N 2.83Å; R1040-T1047 VanDerWaalsContact C-OG1 3.29Å; R1040-T1047 PolarHBondContact O-OG1 3.33Å
1041A86.3Confident88.1Confident3 Ų361.4 Ų61.43%0.02532%0.316CS..Hα-helixtrans-68.8-23.2178.300000114V1037 F1038 I1039 E1043 T1047 Q1048 A1051V1037-A1041 WeakPolarHBondContact O-CB 3.4Å; V1037-A1041 PolarHBondContact O-N 2.7Å; F1038-A1041 PolarHBondContact O-N 3.32Å; I1039-A1041 VanDerWaalsContact C-N 3.34Å; I1039-A1041 PolarHBondContact O-N 2.8Å; A1041-E1043 VanDerWaalsContact C-N 3.34Å; A1041-T1047 WeakPolarHBondContact CA-OG1 3.21Å; A1041-T1047 PolarHBondContact N-OG1 2.7Å; A1041-Q1048 PolarHBondContact O-NE2 3.34Å; A1041-Q1048 VanDerWaalsContact O-NE2 3.14Å; A1041-A1051 HydrophobicContact CB-CB 3.49Å; A1041-A1051 VanDerWaalsContact CB-CB 3.49Å
1042D83.2Confident88Confident131 Ų13164.9 Ų64.970%0.70133%0.332SS*.Hα-helixtrans-76-25170.8-68.1-20.3000111.8F1038 I1039 R1040F1038-D1042 PolarHBondContact O-N 2.68Å; I1039-D1042 PolarHBondContact O-N 2.58Å; R1040-D1042 VanDerWaalsContact C-N 3.26Å; R1040-D1042 PolarHBondContact O-N 3.47Å
1043E86.3Confident87.9Confident160 Ų16061.7 Ų61.775%0.74832%0.317SS*.Hα-helixtrans-96.4-33.8-177.9-66.3175.5173.200113.4I1039 R1040 A1041I1039-E1043 PolarHBondContact O-N 3.26Å; R1040-E1043 CarbonylContact O-C 3.59Å; R1040-E1043 PolarHBondContact O-N 3.26Å; A1041-E1043 VanDerWaalsContact C-N 3.34Å
1044D83.8Confident88.1Confident76 Ų7661.7 Ų61.741%0.40632%0.317SS..  trans-133.2114-173.8-179.88.2000112.4R1040 A1046 T1047R1040-D1044 PolarHBondContact O-N 2.83Å; D1044-A1046 PolarHBondContact O-N 2.84Å; D1044-A1046 VanDerWaalsContact O-N 3.15Å; D1044-A1046 WeakPolarHBondContact OD1-CB 3.26Å; D1044-A1046 PolarHBondContact OD1-N 2.9Å; D1044-T1047 PolarHBondContact O-N 3.18Å; D1044-T1047 PolarHBondContact O-OG1 2.99Å
1045S79.6Confident88.2Confident105 Ų10563.9 Ų63.973%0.73433%0.325SS*.G310 helixtrans-56.7-27177.464.70000114.4T1047 Q1048S1045-T1047 PolarHBondContact O-N 2.85Å; S1045-Q1048 WeakPolarHBondContact O-CB 3.4Å; S1045-Q1048 PolarHBondContact O-N 3.2Å
1046A79.3Confident88.4Confident81 Ų8163 Ų6367%0.66932%0.322SS*.G310 helixtrans-68.3-20.2178.800000112.9D1044D1044-A1046 PolarHBondContact O-N 2.84Å; D1044-A1046 VanDerWaalsContact O-N 3.15Å; D1044-A1046 WeakPolarHBondContact OD1-CB 3.26Å; D1044-A1046 PolarHBondContact OD1-N 2.9Å
1047T84.6Confident88.7Confident28 Ų2862 Ų6217%0.17232%0.316CS..G310 helixtrans-97.4-1.3-179.866.30000113.8R1040 A1041 D1044 S1045 R1049 Q1050 A1051R1040-T1047 VanDerWaalsContact C-OG1 3.29Å; R1040-T1047 PolarHBondContact O-OG1 3.33Å; A1041-T1047 WeakPolarHBondContact CA-OG1 3.21Å; A1041-T1047 PolarHBondContact N-OG1 2.7Å; D1044-T1047 PolarHBondContact O-N 3.18Å; D1044-T1047 PolarHBondContact O-OG1 2.99Å; S1045-T1047 PolarHBondContact O-N 2.85Å; T1047-R1049 VanDerWaalsContact C-N 3.32Å; T1047-R1049 PolarHBondContact O-N 3.2Å; T1047-Q1050 PolarHBondContact O-N 3.1Å; T1047-A1051 PolarHBondContact O-N 3.35Å
1048Q86Confident89Confident75 Ų7561.4 Ų61.435%0.3531%0.312SS..Hα-helixtrans-54.9-45.1177.1-82.4-88.8-30.600112.4A1041 S1045 Q1050 A1051 E1052A1041-Q1048 PolarHBondContact O-NE2 3.34Å; A1041-Q1048 VanDerWaalsContact O-NE2 3.14Å; S1045-Q1048 WeakPolarHBondContact O-CB 3.4Å; S1045-Q1048 PolarHBondContact O-N 3.2Å; Q1048-Q1050 VanDerWaalsContact C-N 3.34Å; Q1048-Q1050 PolarHBondContact O-N 3.3Å; Q1048-A1051 WeakPolarHBondContact O-CB 3.38Å; Q1048-A1051 PolarHBondContact O-N 3.13Å; Q1048-A1051 VanDerWaalsContact O-N 3.12Å; Q1048-E1052 WeakPolarHBondContact O-CG 3.21Å; Q1048-E1052 PolarHBondContact O-N 3.41Å
1049R89.9Confident89.4Confident114 Ų11460.8 Ų60.843%0.4331%0.309SS..Hα-helixtrans-60-42.9-178.1179.957.4-176.8159.30.6112.5E983 T1047 A1051 E1052 V1053E983-R1049 IonicContact OE1-CZ 3.94Å; E983-R1049 IonicContact OE1-NE 3.59Å; E983-R1049 IonicContact OE1-NH2 3.79Å; E983-R1049 PolarHBondContact OE1-NH2 3.26Å; E983-R1049 WeakPolarHBondContact OE2-CG 3.44Å; E983-R1049 IonicContact OE2-CZ 3.66Å; E983-R1049 IonicContact OE2-NE 2.74Å; E983-R1049 PolarHBondContact OE2-NE 3.47Å; E983-R1049 IonicContact OE2-NH2 3.11Å; E983-R1049 PolarHBondContact OE2-NH2 2.82Å; T1047-R1049 VanDerWaalsContact C-N 3.32Å; T1047-R1049 PolarHBondContact O-N 3.2Å; R1049-A1051 VanDerWaalsContact C-N 3.34Å; R1049-A1051 PolarHBondContact O-N 3.4Å; R1049-E1052 IonicContact NH1-OE2 2.77Å; R1049-E1052 PolarHBondContact NH1-OE2 3.4Å; R1049-E1052 WeakPolarHBondContact O-CB 3.36Å; R1049-E1052 PolarHBondContact O-N 3.04Å; R1049-V1053 PolarHBondContact O-N 2.97Å
1050Q89.3Confident89.8Confident85 Ų8556.5 Ų56.540%0.39729%0.288SS..Hα-helixtrans-65.1-39.3176.8-171.4177.517.400111.7V1037 T1047 Q1048 E1052 V1053 C1054V1037-Q1050 HydrophobicContact CG1-CG 4.11Å; T1047-Q1050 PolarHBondContact O-N 3.1Å; Q1048-Q1050 VanDerWaalsContact C-N 3.34Å; Q1048-Q1050 PolarHBondContact O-N 3.3Å; Q1050-E1052 VanDerWaalsContact C-N 3.35Å; Q1050-V1053 PolarHBondContact O-N 2.88Å; Q1050-C1054 WeakPolarHBondContact O-CB 3.37Å; Q1050-C1054 PolarHBondContact O-N 3.04Å
1051A91.8Very high90.4Very high0 Ų050.6 Ų50.60%027%0.266CS..Hα-helixtrans-65-36.2174.900000112.5V1037 F1038 A1041 T1047 Q1048 R1049 C1054 R1055V1037-A1051 HydrophobicContact CG1-CB 4.46Å; F1038-A1051 HydrophobicContact CD1-CB 4.04Å; F1038-A1051 HydrophobicContact CE1-CB 4.18Å; A1041-A1051 HydrophobicContact CB-CB 3.49Å; A1041-A1051 VanDerWaalsContact CB-CB 3.49Å; T1047-A1051 PolarHBondContact O-N 3.35Å; Q1048-A1051 WeakPolarHBondContact O-CB 3.38Å; Q1048-A1051 PolarHBondContact O-N 3.13Å; Q1048-A1051 VanDerWaalsContact O-N 3.12Å; R1049-A1051 VanDerWaalsContact C-N 3.34Å; R1049-A1051 PolarHBondContact O-N 3.4Å; A1051-C1054 PolarHBondContact O-N 3.35Å; A1051-R1055 WeakPolarHBondContact O-CG 3.29Å; A1051-R1055 PolarHBondContact O-N 3.24Å
1052E92Very high90.9Very high83 Ų8350.5 Ų50.539%0.38826%0.264SS..Hα-helixtrans-61.8-47.3174.7-70.5173.6176.200112.5Q1048 R1049 Q1050 C1054 R1055 Q1056Q1048-E1052 WeakPolarHBondContact O-CG 3.21Å; Q1048-E1052 PolarHBondContact O-N 3.41Å; R1049-E1052 IonicContact NH1-OE2 2.77Å; R1049-E1052 PolarHBondContact NH1-OE2 3.4Å; R1049-E1052 WeakPolarHBondContact O-CB 3.36Å; R1049-E1052 PolarHBondContact O-N 3.04Å; Q1050-E1052 VanDerWaalsContact C-N 3.35Å; E1052-C1054 VanDerWaalsContact C-N 3.29Å; E1052-C1054 PolarHBondContact O-N 2.99Å; E1052-R1055 WeakPolarHBondContact O-CB 3.42Å; E1052-R1055 PolarHBondContact O-N 3.36Å; E1052-Q1056 WeakPolarHBondContact O-CG 3.47Å; E1052-Q1056 PolarHBondContact O-N 3.22Å
1053V93.9Very high91.6Very high7 Ų744.5 Ų44.54%0.04223%0.233CC..Hα-helixtrans-60-42.1175.8176.50000110.5E983 E984 R1049 Q1050 R1055 Q1056 T1057E983-V1053 HydrophobicContact CB-CG2 4.05Å; E984-V1053 HydrophobicContact CG-CG1 4.12Å; R1049-V1053 PolarHBondContact O-N 2.97Å; Q1050-V1053 PolarHBondContact O-N 2.88Å; V1053-R1055 PolarHBondContact O-N 2.96Å; V1053-Q1056 PolarHBondContact O-N 3.4Å; V1053-T1057 PolarHBondContact O-N 3.35Å; V1053-T1057 PolarHBondContact O-OG1 2.99Å; V1053-T1057 VanDerWaalsContact O-OG1 3.09Å
1054C94.7Very high92.1Very high2 Ų236.9 Ų36.91%0.01420%0.197CC..Hα-helixtrans-63.7-39.6176.1-168.10000112.5Y1030 V1034 F1038 Q1050 A1051 E1052 T1057 L1058Y1030-C1054 PolarHBondContact OH-SG 3.17Å; V1034-C1054 VanDerWaalsContact CB-SG 3.55Å; V1034-C1054 WeakPolarHBondContact CG1-SG 3.4Å; F1038-C1054 HydrophobicContact CE1-CB 4.18Å; F1038-C1054 HydrophobicContact CZ-CB 3.89Å; F1038-C1054 VanDerWaalsContact CZ-SG 3.53Å; Q1050-C1054 WeakPolarHBondContact O-CB 3.37Å; Q1050-C1054 PolarHBondContact O-N 3.04Å; A1051-C1054 PolarHBondContact O-N 3.35Å; E1052-C1054 VanDerWaalsContact C-N 3.29Å; E1052-C1054 PolarHBondContact O-N 2.99Å; C1054-T1057 PolarHBondContact O-N 2.79Å; C1054-L1058 VanDerWaalsContact O-CB 3.29Å; C1054-L1058 WeakPolarHBondContact O-CB 3.3Å; C1054-L1058 PolarHBondContact O-N 2.98Å
1055R95.1Very high92.8Very high48 Ų4833.3 Ų33.318%0.18118%0.178CC..Hα-helixtrans-61.3-43.2173.7-73.1178.1-175.7134.82.6111.6T967 L968 F972 F1038 A1051 E1052 V1053 L1058 Y1059T967-R1055 PolarHBondContact O-NE 2.99Å; T967-R1055 VanDerWaalsContact O-NE 3.11Å; L968-R1055 HydrophobicContact CD2-CB 3.82Å; L968-R1055 HydrophobicContact CD2-CG 4.21Å; L968-R1055 WeakPolarHBondContact CD2-O 3.38Å; L968-R1055 WeakPolarHBondContact O-CD 3.4Å; L968-R1055 PolarHBondContact O-NE 3.11Å; F972-R1055 HydrophobicContact CD2-CB 3.91Å; F972-R1055 HydrophobicContact CE2-CB 3.63Å; F1038-R1055 HydrophobicContact CE1-CG 3.75Å; F1038-R1055 HydrophobicContact CZ-CG 4.27Å; A1051-R1055 WeakPolarHBondContact O-CG 3.29Å; A1051-R1055 PolarHBondContact O-N 3.24Å; E1052-R1055 WeakPolarHBondContact O-CB 3.42Å; E1052-R1055 PolarHBondContact O-N 3.36Å; V1053-R1055 PolarHBondContact O-N 2.96Å; R1055-L1058 PolarHBondContact O-N 2.8Å; R1055-Y1059 WeakPolarHBondContact O-CB 3.37Å; R1055-Y1059 PolarHBondContact O-N 2.68Å
1056Q96.1Very high93.7Very high48 Ų4828.3 Ų28.322%0.22414%0.143CC..Hα-helixtrans-63.6-42.1176.7-66.8-65-2200112F972 V973 S975 E1052 V1053 T1060F972-Q1056 HydrophobicContact CE2-CG 4.34Å; V973-Q1056 PolarHBondContact O-NE2 2.81Å; S975-Q1056 PolarHBondContact OG-OE1 2.7Å; E1052-Q1056 WeakPolarHBondContact O-CG 3.47Å; E1052-Q1056 PolarHBondContact O-N 3.22Å; V1053-Q1056 PolarHBondContact O-N 3.4Å; Q1056-T1060 WeakPolarHBondContact O-CB 3.03Å; Q1056-T1060 PolarHBondContact O-N 2.96Å; Q1056-T1060 PolarHBondContact O-OG1 2.79Å
1057T97Very high94.6Very high5 Ų525.3 Ų25.33%0.03111%0.114CC..Hα-helixtrans-64.4-49.7176.5-60.80000110.9D988 I991 L992 Y1030 V1053 C1054 Y1059 T1060 C1061D988-T1057 HydrophobicContact CB-CG2 4.01Å; I991-T1057 HydrophobicContact CG2-CG2 3.71Å; L992-T1057 HydrophobicContact CD1-CG2 4.13Å; L992-T1057 HydrophobicContact CD2-CG2 3.93Å; L992-T1057 HydrophobicContact CG-CG2 3.82Å; Y1030-T1057 HydrophobicContact CE2-CG2 4.49Å; Y1030-T1057 WeakPolarHBondContact OH-CB 3.39Å; Y1030-T1057 WeakPolarHBondContact OH-CG2 3.2Å; V1053-T1057 PolarHBondContact O-N 3.35Å; V1053-T1057 PolarHBondContact O-OG1 2.99Å; V1053-T1057 VanDerWaalsContact O-OG1 3.09Å; C1054-T1057 PolarHBondContact O-N 2.79Å; T1057-Y1059 PolarHBondContact O-N 2.84Å; T1057-T1060 WeakPolarHBondContact O-CB 3.38Å; T1057-T1060 PolarHBondContact O-N 3.18Å; T1057-T1060 VanDerWaalsContact O-N 3.12Å; T1057-C1061 PolarHBondContact O-N 2.77Å; T1057-C1061 PolarHBondContact O-SG 2.85Å; T1057-C1061 VanDerWaalsContact O-SG 3.37Å
1058L97.1Very high95.3Very high0 Ų024 Ų240%011%0.106CC..Hα-helixtrans-57.7-48.3177.4175.854.9000111.4A964 T967 L1026 Y1030 L1031 C1054 R1055 T1060 C1061 L1062A964-L1058 HydrophobicContact CB-CD1 4.17Å; A964-L1058 HydrophobicContact CB-CD2 3.79Å; A964-L1058 HydrophobicContact CB-CG 4.08Å; T967-L1058 HydrophobicContact CG2-CD2 4.45Å; L1026-L1058 HydrophobicContact CD1-CD1 4.34Å; Y1030-L1058 HydrophobicContact CE1-CB 4.25Å; Y1030-L1058 HydrophobicContact CE1-CD1 4.27Å; L1031-L1058 HydrophobicContact CD2-CD1 3.48Å; L1031-L1058 VanDerWaalsContact CD2-CD1 3.48Å; L1031-L1058 HydrophobicContact CD2-CD2 4.27Å; C1054-L1058 VanDerWaalsContact O-CB 3.29Å; C1054-L1058 WeakPolarHBondContact O-CB 3.3Å; C1054-L1058 PolarHBondContact O-N 2.98Å; R1055-L1058 PolarHBondContact O-N 2.8Å; L1058-T1060 VanDerWaalsContact C-N 3.3Å; L1058-T1060 PolarHBondContact O-N 3.15Å; L1058-C1061 WeakPolarHBondContact O-CB 3.17Å; L1058-C1061 PolarHBondContact O-N 2.85Å; L1058-L1062 HydrophobicContact CD1-CD2 4.42Å; L1058-L1062 HydrophobicContact CD1-CG 4.28Å; L1058-L1062 WeakPolarHBondContact O-CG 3.3Å; L1058-L1062 PolarHBondContact O-N 3.13Å
1059Y97.2Very high95.9Very high4 Ų420.4 Ų20.42%0.0169%0.089CC..Hα-helixtrans-57.1-44176.1173.6-89.9000111.9L968 F972 P974 R1055 T1057 C1061 L1062 D1063 L1084 R1085 R1087L968-Y1059 HydrophobicContact CD1-CD2 4.22Å; F972-Y1059 HydrophobicContact CE1-CD1 4.49Å; F972-Y1059 AromaticContact CE1-CD2 3.66Å; F972-Y1059 HydrophobicContact CE1-CD2 3.66Å; F972-Y1059 HydrophobicContact CE1-CE2 4.4Å; F972-Y1059 AromaticContact CE1-CG 3.7Å; F972-Y1059 HydrophobicContact CE1-CG 3.7Å; F972-Y1059 HydrophobicContact CZ-CD2 4.43Å; F972-Y1059 HydrophobicContact CZ-CG 4.02Å; P974-Y1059 HydrophobicContact CB-CD1 3.68Å; P974-Y1059 HydrophobicContact CB-CD2 4.27Å; P974-Y1059 HydrophobicContact CB-CE1 3.35Å; P974-Y1059 HydrophobicContact CB-CE2 3.96Å; P974-Y1059 HydrophobicContact CB-CG 4.13Å; P974-Y1059 VanDerWaalsContact CB-CZ 3.5Å; P974-Y1059 HydrophobicContact CG-CE1 4.22Å; P974-Y1059 HydrophobicContact CG-CE2 4.23Å; R1055-Y1059 WeakPolarHBondContact O-CB 3.37Å; R1055-Y1059 PolarHBondContact O-N 2.68Å; T1057-Y1059 PolarHBondContact O-N 2.84Å; Y1059-C1061 PolarHBondContact O-N 2.82Å; Y1059-L1062 PolarHBondContact O-N 3Å; Y1059-D1063 HydrophobicContact CE1-CB 4.23Å; Y1059-D1063 WeakPolarHBondContact O-CB 3.25Å; Y1059-D1063 PolarHBondContact O-N 3.09Å; Y1059-L1084 HydrophobicContact CE2-CB 4.22Å; Y1059-R1085 VanDerWaalsContact CE2-O 3.27Å; Y1059-R1085 WeakPolarHBondContact CE2-O 3.06Å; Y1059-R1085 VanDerWaalsContact CZ-O 3.28Å; Y1059-R1085 PolarHBondContact OH-O 2.92Å; Y1059-R1087 HydrophobicContact CE1-CG 3.89Å; Y1059-R1087 VanDerWaalsContact CE1-CZ 3.49Å
1060T97.1Very high96.3Very high8 Ų815 Ų155%0.0497%0.069CC..Hα-helixtrans-60.1-44.8177.2-59.60000111.5A978 L992 L995 Q1056 T1057 L1058 L1062 D1063 V1064 R1087 F1107 W1109A978-T1060 HydrophobicContact CB-CG2 3.78Å; L992-T1060 HydrophobicContact CD2-CG2 4.36Å; L995-T1060 HydrophobicContact CD2-CG2 4.33Å; Q1056-T1060 WeakPolarHBondContact O-CB 3.03Å; Q1056-T1060 PolarHBondContact O-N 2.96Å; Q1056-T1060 PolarHBondContact O-OG1 2.79Å; T1057-T1060 WeakPolarHBondContact O-CB 3.38Å; T1057-T1060 PolarHBondContact O-N 3.18Å; T1057-T1060 VanDerWaalsContact O-N 3.12Å; L1058-T1060 VanDerWaalsContact C-N 3.3Å; L1058-T1060 PolarHBondContact O-N 3.15Å; T1060-L1062 VanDerWaalsContact C-N 3.34Å; T1060-L1062 PolarHBondContact O-N 2.92Å; T1060-D1063 PolarHBondContact O-N 3.02Å; T1060-V1064 HydrophobicContact CG2-CG2 4.09Å; T1060-V1064 WeakPolarHBondContact O-CB 3.25Å; T1060-V1064 WeakPolarHBondContact O-CG2 3.33Å; T1060-V1064 PolarHBondContact O-N 3.05Å; T1060-R1087 PolarHBondContact OG1-NH2 3.14Å; T1060-F1107 HydrophobicContact CG2-CE1 4.43Å; T1060-W1109 HydrophobicContact CG2-CH2 4.21Å; T1060-W1109 HydrophobicContact CG2-CZ3 4.1Å
1061C97.8Very high96.7Very high0 Ų010.9 Ų10.90%05%0.05CC..Hα-helixtrans-60.6-40.3176.1-67.70000112.8F1021 L1026 T1057 L1058 Y1059 G1065F1021-C1061 HydrophobicContact CZ-CB 4.02Å; L1026-C1061 HydrophobicContact CD1-CB 4.05Å; L1026-C1061 HydrophobicContact CD2-CB 4.46Å; T1057-C1061 PolarHBondContact O-N 2.77Å; T1057-C1061 PolarHBondContact O-SG 2.85Å; T1057-C1061 VanDerWaalsContact O-SG 3.37Å; L1058-C1061 WeakPolarHBondContact O-CB 3.17Å; L1058-C1061 PolarHBondContact O-N 2.85Å; Y1059-C1061 PolarHBondContact O-N 2.82Å; C1061-G1065 WeakPolarHBondContact O-CA 3.26Å; C1061-G1065 PolarHBondContact O-N 3.46Å
1062L97.8Very high97Very high0 Ų011 Ų110%05%0.05CC..Hα-helixtrans-69.1-50.4177.8-59.8174.6000111.7V961 A964 W1022 L1026 L1058 Y1059 T1060 G1065 L1066 L1084V961-L1062 HydrophobicContact CG2-CD2 4.16Å; A964-L1062 HydrophobicContact CB-CD1 3.42Å; A964-L1062 VanDerWaalsContact CB-CD1 3.42Å; A964-L1062 HydrophobicContact CB-CD2 4.34Å; A964-L1062 HydrophobicContact CB-CG 4.38Å; W1022-L1062 HydrophobicContact CH2-CD2 3.77Å; W1022-L1062 HydrophobicContact CZ3-CD2 3.87Å; L1026-L1062 HydrophobicContact CD2-CD2 4.27Å; L1058-L1062 HydrophobicContact CD1-CD2 4.42Å; L1058-L1062 HydrophobicContact CD1-CG 4.28Å; L1058-L1062 WeakPolarHBondContact O-CG 3.3Å; L1058-L1062 PolarHBondContact O-N 3.13Å; Y1059-L1062 PolarHBondContact O-N 3Å; T1060-L1062 VanDerWaalsContact C-N 3.34Å; T1060-L1062 PolarHBondContact O-N 2.92Å; L1062-G1065 PolarHBondContact O-N 2.89Å; L1062-L1066 VanDerWaalsContact O-CB 3.29Å; L1062-L1066 WeakPolarHBondContact O-CB 3.28Å; L1062-L1066 WeakPolarHBondContact O-CG 3.45Å; L1062-L1066 PolarHBondContact O-N 3.41Å; L1062-L1084 HydrophobicContact CB-CD1 3.93Å; L1062-L1084 HydrophobicContact CD1-CD2 4.17Å
1063D97Very high97.3Very high6 Ų67 Ų73%0.0323%0.032CC..Hα-helixtrans-58.4-53.2-179.2167.338.7000111Y1059 T1060 L1066 R1067 Y1081 R1087Y1059-D1063 HydrophobicContact CE1-CB 4.23Å; Y1059-D1063 WeakPolarHBondContact O-CB 3.25Å; Y1059-D1063 PolarHBondContact O-N 3.09Å; T1060-D1063 PolarHBondContact O-N 3.02Å; D1063-L1066 PolarHBondContact O-N 3.28Å; D1063-R1067 VanDerWaalsContact O-CG 3.31Å; D1063-R1067 WeakPolarHBondContact O-CG 3.32Å; D1063-R1067 PolarHBondContact O-N 3.48Å; D1063-R1067 VanDerWaalsContact O-N 3.12Å; D1063-R1067 PolarHBondContact O-NE 2.74Å; D1063-R1067 IonicContact OD1-CZ 2.7Å; D1063-R1067 IonicContact OD1-NE 2.71Å; D1063-R1067 PolarHBondContact OD1-NE 2.83Å; D1063-R1067 IonicContact OD1-NH2 2.65Å; D1063-R1067 IonicContact OD2-CZ 2.62Å; D1063-R1067 IonicContact OD2-NE 2.7Å; D1063-R1067 IonicContact OD2-NH2 3.53Å; D1063-R1067 PolarHBondContact OD2-NH2 2.82Å; D1063-Y1081 WeakPolarHBondContact OD1-CE2 3.45Å; D1063-R1087 IonicContact OD2-NE 3.6Å; D1063-R1087 IonicContact OD2-NH2 3.88Å
1064V97.7Very high97.6Very high0 Ų06.7 Ų6.70%03%0.03CC..Hα-helixtrans-68.3-43.2-179.9-176.40000111.1L995 V999 T1060 L1066 R1067 L1068 P1102 F1107L995-V1064 HydrophobicContact CD1-CB 3.94Å; L995-V1064 HydrophobicContact CD1-CG1 3.7Å; L995-V1064 HydrophobicContact CD2-CB 3.96Å; L995-V1064 HydrophobicContact CD2-CG1 4.08Å; L995-V1064 HydrophobicContact CD2-CG2 4.22Å; L995-V1064 HydrophobicContact CG-CB 4.42Å; L995-V1064 HydrophobicContact CG-CG1 4.1Å; V999-V1064 HydrophobicContact CG2-CG1 4.05Å; T1060-V1064 HydrophobicContact CG2-CG2 4.09Å; T1060-V1064 WeakPolarHBondContact O-CB 3.25Å; T1060-V1064 WeakPolarHBondContact O-CG2 3.33Å; T1060-V1064 PolarHBondContact O-N 3.05Å; V1064-L1066 VanDerWaalsContact C-N 3.33Å; V1064-L1066 PolarHBondContact O-N 3.47Å; V1064-R1067 PolarHBondContact O-N 3.21Å; V1064-R1067 VanDerWaalsContact O-N 3.16Å; V1064-L1068 HydrophobicContact CG1-CG 4.5Å; V1064-L1068 WeakPolarHBondContact O-CG 3.45Å; V1064-L1068 PolarHBondContact O-N 2.54Å; V1064-P1102 HydrophobicContact CG1-CB 3.74Å; V1064-P1102 HydrophobicContact CG1-CG 3.64Å; V1064-F1107 HydrophobicContact CG1-CD2 4.36Å; V1064-F1107 HydrophobicContact CG1-CE1 4.47Å; V1064-F1107 HydrophobicContact CG1-CE2 4.27Å; V1064-F1107 HydrophobicContact CG1-CZ 4.34Å; V1064-F1107 HydrophobicContact CG2-CD1 4.13Å; V1064-F1107 HydrophobicContact CG2-CE1 3.4Å; V1064-F1107 VanDerWaalsContact CG2-CE1 3.4Å; V1064-F1107 HydrophobicContact CG2-CE2 4.13Å; V1064-F1107 HydrophobicContact CG2-CZ 3.41Å; V1064-F1107 VanDerWaalsContact CG2-CZ 3.41Å
1065G98.1Very high97.7Very high0 Ų06.8 Ų6.80%03%0.03CC..Hα-helixtrans-62.4-35.9178.900000113.5W1022 C1061 L1062 L1069W1022-G1065 PolarHBondContact NE1-O 3.27Å; C1061-G1065 WeakPolarHBondContact O-CA 3.26Å; C1061-G1065 PolarHBondContact O-N 3.46Å; L1062-G1065 PolarHBondContact O-N 2.89Å; G1065-L1069 WeakPolarHBondContact O-CB 3.46Å; G1065-L1069 PolarHBondContact O-N 2.49Å
1066L98.6Very high97.9Very high0 Ų04.5 Ų4.50%02%0.021CC..Hα-helixtrans-70.6-40174.5-72.2172.6000110.8W1022 L1062 D1063 V1064 L1069 S1070 T1077 L1080 L1084 I1096W1022-L1066 HydrophobicContact CH2-CD2 4.16Å; W1022-L1066 HydrophobicContact CH2-CG 4.17Å; W1022-L1066 HydrophobicContact CZ2-CD2 3.88Å; W1022-L1066 HydrophobicContact CZ2-CG 3.87Å; L1062-L1066 VanDerWaalsContact O-CB 3.29Å; L1062-L1066 WeakPolarHBondContact O-CB 3.28Å; L1062-L1066 WeakPolarHBondContact O-CG 3.45Å; L1062-L1066 PolarHBondContact O-N 3.41Å; D1063-L1066 PolarHBondContact O-N 3.28Å; V1064-L1066 VanDerWaalsContact C-N 3.33Å; V1064-L1066 PolarHBondContact O-N 3.47Å; L1066-L1069 PolarHBondContact O-N 3.01Å; L1066-S1070 WeakPolarHBondContact O-CB 3.4Å; L1066-S1070 PolarHBondContact O-N 3.04Å; L1066-T1077 HydrophobicContact CD2-CG2 4.17Å; L1066-L1080 HydrophobicContact CD1-CB 4Å; L1066-L1080 HydrophobicContact CD2-CB 3.98Å; L1066-L1080 HydrophobicContact CD2-CD1 4.14Å; L1066-L1084 HydrophobicContact CD1-CD1 3.74Å; L1066-I1096 HydrophobicContact CB-CD1 4.07Å
1067R98.3Very high98Very high18 Ų182.2 Ų2.27%0.0681%0.011CC..Hα-helixtrans-64.5-40.6176.1-70.8-175.1-82150.4-7.7112.2M376 D1063 V1064 L1069 S1070 I1096 T1099 S1100 Y1101 P1102M376-R1067 HydrophobicContact CE-CB 4.29Å; D1063-R1067 VanDerWaalsContact O-CG 3.31Å; D1063-R1067 WeakPolarHBondContact O-CG 3.32Å; D1063-R1067 PolarHBondContact O-N 3.48Å; D1063-R1067 VanDerWaalsContact O-N 3.12Å; D1063-R1067 PolarHBondContact O-NE 2.74Å; D1063-R1067 IonicContact OD1-CZ 2.7Å; D1063-R1067 IonicContact OD1-NE 2.71Å; D1063-R1067 PolarHBondContact OD1-NE 2.83Å; D1063-R1067 IonicContact OD1-NH2 2.65Å; D1063-R1067 IonicContact OD2-CZ 2.62Å; D1063-R1067 IonicContact OD2-NE 2.7Å; D1063-R1067 IonicContact OD2-NH2 3.53Å; D1063-R1067 PolarHBondContact OD2-NH2 2.82Å; V1064-R1067 PolarHBondContact O-N 3.21Å; V1064-R1067 VanDerWaalsContact O-N 3.16Å; R1067-L1069 VanDerWaalsContact C-N 3.3Å; R1067-L1069 PolarHBondContact O-N 3.15Å; R1067-S1070 PolarHBondContact O-N 3.31Å; R1067-I1096 HydrophobicContact CG-CD1 4.12Å; R1067-I1096 HydrophobicContact CG-CG1 4.14Å; R1067-T1099 HydrophobicContact CG-CG2 4.48Å; R1067-S1100 PolarHBondContact NH1-O 3.26Å; R1067-Y1101 VanDerWaalsContact O-CE2 3.31Å; R1067-Y1101 WeakPolarHBondContact O-CE2 3.47Å; R1067-P1102 HydrophobicContact CB-CG 3.78Å
1068L98.5Very high98.1Very high0 Ų02 Ų20%01%0.009CC..Hα-helixtrans-59.6-41.4173.6-72.9-179.9000112.3L995 A998 V999 C1002 V1018 V1064 Y1101 P1102L995-L1068 HydrophobicContact CD1-CD1 4.46Å; A998-L1068 HydrophobicContact CB-CD1 4.19Å; V999-L1068 HydrophobicContact CG2-CD1 3.98Å; V999-L1068 HydrophobicContact CG2-CD2 4.11Å; V999-L1068 HydrophobicContact CG2-CG 4.42Å; C1002-L1068 HydrophobicContact CB-CD2 4.12Å; V1018-L1068 HydrophobicContact CG2-CB 4.2Å; V1064-L1068 HydrophobicContact CG1-CG 4.5Å; V1064-L1068 WeakPolarHBondContact O-CG 3.45Å; V1064-L1068 PolarHBondContact O-N 2.54Å; L1068-Y1101 WeakPolarHBondContact CA-OH 3.38Å; L1068-Y1101 HydrophobicContact CD2-CE1 3.82Å; L1068-Y1101 WeakPolarHBondContact CD2-OH 3.33Å; L1068-Y1101 PolarHBondContact O-OH 2.87Å; L1068-Y1101 VanDerWaalsContact O-OH 3.1Å; L1068-P1102 HydrophobicContact CD2-CB 3.92Å; L1068-P1102 HydrophobicContact CD2-CG 3.83Å; L1068-P1102 HydrophobicContact CG-CB 4.44Å; L1068-P1102 HydrophobicContact CG-CG 4.02Å
1069L98.4Very high98.1Very high0 Ų02 Ų20%01%0.009CC..Hα-helixtrans-79.7-22.6-176.2-173.362.6000113.4F928 F953 L957 V1018 G1065 L1066 R1067 L1072 M1073 T1077F928-L1069 HydrophobicContact CD2-CD1 3.91Å; F928-L1069 HydrophobicContact CE2-CD1 3.61Å; F953-L1069 HydrophobicContact CE1-CD1 4.47Å; L957-L1069 HydrophobicContact CD1-CD2 3.36Å; L957-L1069 HydrophobicContact CD2-CD2 4.29Å; L957-L1069 HydrophobicContact CG-CD2 4.48Å; V1018-L1069 HydrophobicContact CB-CD1 4.47Å; V1018-L1069 HydrophobicContact CG1-CB 3.8Å; V1018-L1069 HydrophobicContact CG1-CD1 3.56Å; V1018-L1069 HydrophobicContact CG1-CG 4.15Å; G1065-L1069 WeakPolarHBondContact O-CB 3.46Å; G1065-L1069 PolarHBondContact O-N 2.49Å; L1066-L1069 PolarHBondContact O-N 3.01Å; R1067-L1069 VanDerWaalsContact C-N 3.3Å; R1067-L1069 PolarHBondContact O-N 3.15Å; L1069-L1072 HydrophobicContact CD1-CB 4.42Å; L1069-L1072 HydrophobicContact CD1-CD1 4.46Å; L1069-L1072 WeakPolarHBondContact O-CB 3.35Å; L1069-L1072 PolarHBondContact O-N 2.64Å; L1069-M1073 HydrophobicContact CD1-CB 4.37Å; L1069-M1073 HydrophobicContact CD1-CG 4Å; L1069-M1073 HydrophobicContact CD1-SD 3.93Å; L1069-M1073 HydrophobicContact CD2-CB 4.46Å; L1069-M1073 HydrophobicContact CD2-SD 3.93Å; L1069-M1073 HydrophobicContact CG-CB 4.08Å; L1069-M1073 HydrophobicContact CG-CG 4.23Å; L1069-M1073 HydrophobicContact CG-SD 4.17Å; L1069-M1073 PolarHBondContact O-N 2.93Å; L1069-T1077 HydrophobicContact CB-CG2 3.82Å; L1069-T1077 HydrophobicContact CD2-CG2 3.84Å; L1069-T1077 HydrophobicContact CG-CG2 3.79Å
1070S98.4Very high98.1Very high0 Ų01.8 Ų1.80%01%0.008CC..THydrogen-bonded Turntrans-56.7-39.5-170.2-168.90000115.7L1066 R1067 L1072 P1074 T1077 I1096L1066-S1070 WeakPolarHBondContact O-CB 3.4Å; L1066-S1070 PolarHBondContact O-N 3.04Å; R1067-S1070 PolarHBondContact O-N 3.31Å; S1070-L1072 PolarHBondContact O-N 2.99Å; S1070-P1074 WeakPolarHBondContact O-CA 3.32Å; S1070-T1077 WeakPolarHBondContact CA-OG1 3.32Å; S1070-T1077 PolarHBondContact OG-OG1 3.06Å; S1070-I1096 WeakPolarHBondContact OG-CG2 3.46Å
1071P98.6Very high98.1Very high0 Ų01.8 Ų1.80%01%0.007CC..THydrogen-bonded Turntrans-59.9-29.4173.9-27.137.2000114.3C369 R372 W373 M376 R927 F1006 Y1101C369-P1071 WeakPolarHBondContact CA-O 3.26Å; R372-P1071 HydrophobicContact CB-CB 4.03Å; R372-P1071 HydrophobicContact CB-CG 4.35Å; W373-P1071 HydrophobicContact CB-CG 4.44Å; M376-P1071 HydrophobicContact SD-CG 4.09Å; R927-P1071 PolarHBondContact NH2-O 2.95Å; F1006-P1071 HydrophobicContact CZ-CB 3.99Å; F1006-P1071 HydrophobicContact CZ-CG 4.25Å; P1071-Y1101 HydrophobicContact CG-CD2 4.2Å; P1071-Y1101 HydrophobicContact CG-CE2 3.69Å
1072L98.4Very high98Very high1 Ų12.7 Ų2.71%0.0051%0.012CC..THydrogen-bonded Turntrans-89.9-43.7-177.6-64.5163.6000111.9C369 R927 F928 C931 I1014 T1015 L1069 S1070C369-L1072 VanDerWaalsContact SG-CD2 3.52Å; R927-L1072 WeakPolarHBondContact CB-O 3.32Å; R927-L1072 PolarHBondContact NE-O 2.96Å; R927-L1072 VanDerWaalsContact NE-O 3.12Å; F928-L1072 HydrophobicContact CD2-CB 3.99Å; F928-L1072 HydrophobicContact CD2-CD1 4.11Å; F928-L1072 HydrophobicContact CE2-CD1 3.95Å; C931-L1072 HydrophobicContact CB-CD2 3.8Å; I1014-L1072 HydrophobicContact CG2-CD1 3.99Å; T1015-L1072 HydrophobicContact CG2-CD1 4.02Å; T1015-L1072 HydrophobicContact CG2-CD2 4.03Å; L1069-L1072 HydrophobicContact CD1-CB 4.42Å; L1069-L1072 HydrophobicContact CD1-CD1 4.46Å; L1069-L1072 WeakPolarHBondContact O-CB 3.35Å; L1069-L1072 PolarHBondContact O-N 2.64Å; S1070-L1072 PolarHBondContact O-N 2.99Å
1073M98.6Very high97.8Very high0 Ų03.8 Ų3.80%02%0.016CC..  trans-126.573.2-174.8-62.6-172.2159.900111.6D924 F928 F953 L957 L1069 F1075 V1076 T1077D924-M1073 HydrophobicContact CB-CB 3.74Å; D924-M1073 HydrophobicContact CB-CG 3.84Å; D924-M1073 HydrophobicContact CB-SD 4.31Å; D924-M1073 WeakPolarHBondContact OD1-CA 3.5Å; F928-M1073 HydrophobicContact CB-CE 3.3Å; F928-M1073 HydrophobicContact CB-CG 4.06Å; F928-M1073 HydrophobicContact CB-SD 4.47Å; F928-M1073 HydrophobicContact CD1-CE 4.16Å; F928-M1073 HydrophobicContact CD2-CE 3.57Å; F928-M1073 HydrophobicContact CD2-CG 3.93Å; F928-M1073 HydrophobicContact CD2-SD 4.12Å; F928-M1073 HydrophobicContact CE2-CE 4.4Å; F928-M1073 HydrophobicContact CG-CE 3.41Å; F928-M1073 VanDerWaalsContact CG-CE 3.41Å; F928-M1073 HydrophobicContact CG-CG 4.42Å; F953-M1073 HydrophobicContact CD1-CE 3.74Å; F953-M1073 HydrophobicContact CD1-SD 4.34Å; F953-M1073 HydrophobicContact CE1-CE 4.18Å; F953-M1073 HydrophobicContact CE1-SD 4.33Å; L957-M1073 HydrophobicContact CD1-SD 4.23Å; L1069-M1073 HydrophobicContact CD1-CB 4.37Å; L1069-M1073 HydrophobicContact CD1-CG 4Å; L1069-M1073 HydrophobicContact CD1-SD 3.93Å; L1069-M1073 HydrophobicContact CD2-CB 4.46Å; L1069-M1073 HydrophobicContact CD2-SD 3.93Å; L1069-M1073 HydrophobicContact CG-CB 4.08Å; L1069-M1073 HydrophobicContact CG-CG 4.23Å; L1069-M1073 HydrophobicContact CG-SD 4.17Å; L1069-M1073 PolarHBondContact O-N 2.93Å; M1073-F1075 PolarHBondContact O-N 2.88Å; M1073-V1076 HydrophobicContact CB-CG1 3.85Å; M1073-V1076 HydrophobicContact SD-CG1 4.2Å; M1073-T1077 HydrophobicContact CB-CG2 4.44Å; M1073-T1077 WeakPolarHBondContact O-CB 3.38Å; M1073-T1077 WeakPolarHBondContact O-CG2 3.4Å; M1073-T1077 PolarHBondContact O-N 3.2Å; M1073-T1077 PolarHBondContact O-OG1 3.09Å
1074P98.4Very high97.6Very high0 Ų03.9 Ų3.90%02%0.016CC..Hα-helixtrans-65.8-30.8-17026.6-37.1000115W319 R372 D924 S1070 T1077 E1078W319-P1074 HydrophobicContact CH2-CB 4.1Å; R372-P1074 VanDerWaalsContact CZ-CB 3.45Å; D924-P1074 WeakPolarHBondContact OD1-CD 3.43Å; S1070-P1074 WeakPolarHBondContact O-CA 3.32Å; P1074-T1077 PolarHBondContact O-OG1 3.3Å; P1074-E1078 VanDerWaalsContact O-CB 3.28Å; P1074-E1078 WeakPolarHBondContact O-CB 3.26Å; P1074-E1078 PolarHBondContact O-N 3.18Å; P1074-E1078 VanDerWaalsContact O-N 3.17Å
1075F98.7Very high97.2Very high5 Ų59.8 Ų9.82%0.0224%0.039CC..Hα-helixtrans-79.5-53-171.9-66.6-86.4000112.4V311 E312 W315 Y316 W319 T923 D924 M1073 T1077 E1078 E1079V311-F1075 HydrophobicContact CG1-CB 4.17Å; E312-F1075 HydrophobicContact CB-CD1 4Å; E312-F1075 HydrophobicContact CB-CE1 4.32Å; E312-F1075 HydrophobicContact CB-CG 4.28Å; E312-F1075 HydrophobicContact CG-CB 3.87Å; E312-F1075 HydrophobicContact CG-CD1 4.01Å; E312-F1075 HydrophobicContact CG-CD2 4.15Å; E312-F1075 HydrophobicContact CG-CG 3.76Å; W315-F1075 HydrophobicContact CB-CD1 4.13Å; W315-F1075 HydrophobicContact CB-CE1 4.41Å; Y316-F1075 HydrophobicContact CD2-CZ 4.29Å; W319-F1075 AromaticContact CH2-CD1 3.52Å; W319-F1075 HydrophobicContact CH2-CD1 3.52Å; W319-F1075 HydrophobicContact CH2-CD2 4.5Å; W319-F1075 AromaticContact CH2-CE1 3.71Å; W319-F1075 HydrophobicContact CH2-CE1 3.71Å; W319-F1075 AromaticContact CH2-CG 3.97Å; W319-F1075 HydrophobicContact CH2-CG 3.97Å; W319-F1075 HydrophobicContact CH2-CZ 4.28Å; W319-F1075 AromaticContact CZ3-CD1 3.85Å; W319-F1075 HydrophobicContact CZ3-CD1 3.85Å; W319-F1075 AromaticContact CZ3-CE1 3.5Å; W319-F1075 HydrophobicContact CZ3-CE1 3.5Å; W319-F1075 HydrophobicContact CZ3-CE2 4.45Å; W319-F1075 HydrophobicContact CZ3-CG 4.49Å; W319-F1075 AromaticContact CZ3-CZ 3.84Å; W319-F1075 HydrophobicContact CZ3-CZ 3.84Å; T923-F1075 HydrophobicContact CG2-CD2 4.06Å; T923-F1075 HydrophobicContact CG2-CE2 3.65Å; D924-F1075 PolarHBondContact OD1-N 2.85Å; D924-F1075 VanDerWaalsContact OD1-N 3.1Å; D924-F1075 WeakPolarHBondContact OD2-CB 3.27Å; D924-F1075 PolarHBondContact OD2-N 3.49Å; M1073-F1075 PolarHBondContact O-N 2.88Å; F1075-T1077 VanDerWaalsContact C-N 3.26Å; F1075-T1077 PolarHBondContact O-N 3.02Å; F1075-E1078 PolarHBondContact O-N 3.44Å; F1075-E1079 WeakPolarHBondContact O-CB 3.4Å; F1075-E1079 PolarHBondContact O-N 3.31Å
1076V98.4Very high96.8Very high0 Ų011.6 Ų11.60%05%0.046CC..Hα-helixtrans-64.1-34.917972.20000110.9Y306 V311 D924 L957 M1073 L1080Y306-V1076 HydrophobicContact CD2-CG2 4.37Å; Y306-V1076 HydrophobicContact CE2-CB 4.42Å; Y306-V1076 HydrophobicContact CE2-CG2 4.02Å; V311-V1076 HydrophobicContact CG1-CB 4.19Å; D924-V1076 HydrophobicContact CB-CG1 4.37Å; D924-V1076 VanDerWaalsContact OD2-CB 3.28Å; D924-V1076 WeakPolarHBondContact OD2-CB 3.38Å; D924-V1076 VanDerWaalsContact OD2-CG1 3.31Å; D924-V1076 WeakPolarHBondContact OD2-CG1 3.42Å; D924-V1076 PolarHBondContact OD2-N 3.05Å; L957-V1076 HydrophobicContact CD1-CG1 4.4Å; M1073-V1076 HydrophobicContact CB-CG1 3.85Å; M1073-V1076 HydrophobicContact SD-CG1 4.2Å; V1076-L1080 HydrophobicContact CG2-CD1 3.88Å; V1076-L1080 HydrophobicContact CG2-CG 4.32Å; V1076-L1080 WeakPolarHBondContact O-CB 3.37Å; V1076-L1080 WeakPolarHBondContact O-CG 3.21Å; V1076-L1080 PolarHBondContact O-N 3.31Å
1077T98.5Very high96.4Very high0 Ų013.2 Ų13.20%05%0.051CC..Hα-helixtrans-70.9-40.4177.158.20000111.9L1066 L1069 S1070 M1073 P1074 F1075 Y1081L1066-T1077 HydrophobicContact CD2-CG2 4.17Å; L1069-T1077 HydrophobicContact CB-CG2 3.82Å; L1069-T1077 HydrophobicContact CD2-CG2 3.84Å; L1069-T1077 HydrophobicContact CG-CG2 3.79Å; S1070-T1077 WeakPolarHBondContact CA-OG1 3.32Å; S1070-T1077 PolarHBondContact OG-OG1 3.06Å; M1073-T1077 HydrophobicContact CB-CG2 4.44Å; M1073-T1077 WeakPolarHBondContact O-CB 3.38Å; M1073-T1077 WeakPolarHBondContact O-CG2 3.4Å; M1073-T1077 PolarHBondContact O-N 3.2Å; M1073-T1077 PolarHBondContact O-OG1 3.09Å; P1074-T1077 PolarHBondContact O-OG1 3.3Å; F1075-T1077 VanDerWaalsContact C-N 3.26Å; F1075-T1077 PolarHBondContact O-N 3.02Å; T1077-Y1081 WeakPolarHBondContact O-CB 3.46Å; T1077-Y1081 PolarHBondContact O-N 3.05Å
1078E98.4Very high95.9Very high0 Ų015.9 Ų15.90%06%0.064CC..Hα-helixtrans-61.6-49.4172.6-174.279.4-127.300111.3W315 W319 P1074 F1075 L1080 Y1081 Q1082 S1095 I1096 C1097W315-E1078 HydrophobicContact CD2-CG 3.78Å; W315-E1078 HydrophobicContact CE3-CG 3.73Å; W315-E1078 HydrophobicContact CG-CG 4.32Å; W315-E1078 HydrophobicContact CH2-CG 4.42Å; W315-E1078 HydrophobicContact CZ2-CG 4.44Å; W315-E1078 HydrophobicContact CZ3-CG 4.06Å; W319-E1078 HydrophobicContact CZ2-CB 3.73Å; W319-E1078 HydrophobicContact CZ2-CG 3.8Å; W319-E1078 PolarHBondContact NE1-OE2 2.76Å; P1074-E1078 VanDerWaalsContact O-CB 3.28Å; P1074-E1078 WeakPolarHBondContact O-CB 3.26Å; P1074-E1078 PolarHBondContact O-N 3.18Å; P1074-E1078 VanDerWaalsContact O-N 3.17Å; F1075-E1078 PolarHBondContact O-N 3.44Å; E1078-L1080 VanDerWaalsContact C-N 3.33Å; E1078-L1080 PolarHBondContact O-N 2.71Å; E1078-Y1081 PolarHBondContact O-N 3.36Å; E1078-Q1082 HydrophobicContact CG-CG 4.29Å; E1078-Q1082 WeakPolarHBondContact O-CB 3.36Å; E1078-Q1082 WeakPolarHBondContact O-CG 3.39Å; E1078-Q1082 PolarHBondContact O-N 3.08Å; E1078-Q1082 PolarHBondContact OE1-NE2 3.18Å; E1078-S1095 WeakPolarHBondContact OE1-CA 3.42Å; E1078-S1095 PolarHBondContact OE1-OG 3.03Å; E1078-S1095 PolarHBondContact OE2-OG 3.41Å; E1078-I1096 HydrophobicContact CB-CG2 4.02Å; E1078-I1096 PolarHBondContact OE1-N 3.14Å; E1078-I1096 WeakPolarHBondContact OE2-CG2 3.48Å; E1078-C1097 PolarHBondContact OE2-SG 3.04Å; E1078-C1097 VanDerWaalsContact OE2-SG 3.33Å
1079E97.9Very high95Very high0 Ų020 Ų200%09%0.09CC..Hα-helixtrans-55.3-46.5-179.7-17873.1-164.400112.5K296 Y310 V311 W315 W958 F1075 R1083K296-E1079 WeakPolarHBondContact CD-OE2 3.5Å; K296-E1079 IonicContact NZ-OE1 3.93Å; K296-E1079 PolarHBondContact NZ-OE1 2.79Å; K296-E1079 IonicContact NZ-OE2 3.87Å; K296-E1079 PolarHBondContact NZ-OE2 3.04Å; Y310-E1079 VanDerWaalsContact CE1-OE1 3.26Å; Y310-E1079 WeakPolarHBondContact CE1-OE1 3.45Å; V311-E1079 HydrophobicContact CG1-CB 3.97Å; V311-E1079 HydrophobicContact CG1-CG 4.23Å; V311-E1079 HydrophobicContact CG2-CG 4.19Å; W315-E1079 VanDerWaalsContact CE2-OE2 3.24Å; W315-E1079 VanDerWaalsContact CZ2-OE2 3.25Å; W315-E1079 WeakPolarHBondContact CZ2-OE2 3.31Å; W315-E1079 PolarHBondContact NE1-OE2 2.79Å; W958-E1079 HydrophobicContact CZ3-CG 3.91Å; F1075-E1079 WeakPolarHBondContact O-CB 3.4Å; F1075-E1079 PolarHBondContact O-N 3.31Å; E1079-R1083 PolarHBondContact O-NH1 3.27Å; E1079-R1083 IonicContact OE1-CZ 3.5Å; E1079-R1083 IonicContact OE1-NH1 2.75Å; E1079-R1083 PolarHBondContact OE1-NH1 3.48Å; E1079-R1083 IonicContact OE1-NH2 2.94Å; E1079-R1083 PolarHBondContact OE1-NH2 3.11Å; E1079-R1083 IonicContact OE2-NH1 3.29Å
1080L97.4Very high94Very high0 Ų028.1 Ų28.10%013%0.128CC..Hα-helixtrans-76-39.3-179.3-64.4177.2000111.3L957 W958 V961 L1066 V1076 E1078 Q1082 R1083 L1084L957-L1080 HydrophobicContact CB-CD1 4.14Å; W958-L1080 HydrophobicContact CE3-CD2 3.88Å; W958-L1080 HydrophobicContact CZ3-CD2 4.32Å; V961-L1080 HydrophobicContact CB-CD1 4.38Å; V961-L1080 HydrophobicContact CB-CD2 3.99Å; V961-L1080 HydrophobicContact CG1-CB 4.33Å; V961-L1080 HydrophobicContact CG1-CD2 4Å; V961-L1080 HydrophobicContact CG2-CB 4.28Å; V961-L1080 HydrophobicContact CG2-CD1 3.93Å; V961-L1080 HydrophobicContact CG2-CD2 4.39Å; V961-L1080 HydrophobicContact CG2-CG 4.42Å; L1066-L1080 HydrophobicContact CD1-CB 4Å; L1066-L1080 HydrophobicContact CD2-CB 3.98Å; L1066-L1080 HydrophobicContact CD2-CD1 4.14Å; V1076-L1080 HydrophobicContact CG2-CD1 3.88Å; V1076-L1080 HydrophobicContact CG2-CG 4.32Å; V1076-L1080 WeakPolarHBondContact O-CB 3.37Å; V1076-L1080 WeakPolarHBondContact O-CG 3.21Å; V1076-L1080 PolarHBondContact O-N 3.31Å; E1078-L1080 VanDerWaalsContact C-N 3.33Å; E1078-L1080 PolarHBondContact O-N 2.71Å; L1080-Q1082 VanDerWaalsContact C-N 3.33Å; L1080-Q1082 PolarHBondContact O-N 3.31Å; L1080-R1083 PolarHBondContact O-N 3Å; L1080-L1084 PolarHBondContact O-N 3.36Å
1081Y96.3Very high93.3Very high7 Ų733.1 Ų33.13%0.02716%0.159CC..Hα-helixtrans-64.6-36.4179.5-176.3-110.5000112.4D1063 T1077 E1078 R1083 L1084 R1086 I1096D1063-Y1081 WeakPolarHBondContact OD1-CE2 3.45Å; T1077-Y1081 WeakPolarHBondContact O-CB 3.46Å; T1077-Y1081 PolarHBondContact O-N 3.05Å; E1078-Y1081 PolarHBondContact O-N 3.36Å; Y1081-R1083 PolarHBondContact O-N 2.75Å; Y1081-L1084 PolarHBondContact O-N 3.3Å; Y1081-R1086 PolarHBondContact O-NH1 3.38Å; Y1081-R1086 PolarHBondContact O-NH2 3.18Å; Y1081-I1096 HydrophobicContact CD1-CB 3.47Å; Y1081-I1096 VanDerWaalsContact CD1-CB 3.47Å; Y1081-I1096 HydrophobicContact CD1-CD1 4.3Å; Y1081-I1096 HydrophobicContact CD1-CG1 4.03Å; Y1081-I1096 HydrophobicContact CD2-CD1 3.98Å; Y1081-I1096 HydrophobicContact CD2-CG1 4.35Å; Y1081-I1096 HydrophobicContact CE1-CB 3.94Å; Y1081-I1096 HydrophobicContact CE1-CG1 4.31Å; Y1081-I1096 HydrophobicContact CG-CB 3.88Å; Y1081-I1096 HydrophobicContact CG-CD1 3.81Å; Y1081-I1096 HydrophobicContact CG-CG1 4.05Å
1082Q95.5Very high92.8Very high19 Ų1935.2 Ų35.29%0.08917%0.17CC..THydrogen-bonded Turntrans-69-15.9178.1-68-66.7-13.600113.7V298 W315 E1078 L1080 R1086 P1094V298-Q1082 HydrophobicContact CG1-CB 4.19Å; V298-Q1082 HydrophobicContact CG2-CB 4.02Å; W315-Q1082 HydrophobicContact CH2-CB 4.11Å; W315-Q1082 HydrophobicContact CH2-CG 3.72Å; W315-Q1082 HydrophobicContact CZ2-CG 4.43Å; W315-Q1082 HydrophobicContact CZ3-CG 4.16Å; E1078-Q1082 HydrophobicContact CG-CG 4.29Å; E1078-Q1082 WeakPolarHBondContact O-CB 3.36Å; E1078-Q1082 WeakPolarHBondContact O-CG 3.39Å; E1078-Q1082 PolarHBondContact O-N 3.08Å; E1078-Q1082 PolarHBondContact OE1-NE2 3.18Å; L1080-Q1082 VanDerWaalsContact C-N 3.33Å; L1080-Q1082 PolarHBondContact O-N 3.31Å; Q1082-R1086 VanDerWaalsContact CD-NH2 3.25Å; Q1082-R1086 VanDerWaalsContact OE1-NH2 3.1Å; Q1082-P1094 PolarHBondContact NE2-O 3.38Å
1083R93.2Very high92.5Very high23 Ų2337.1 Ų37.19%0.08718%0.183CC..THydrogen-bonded Turntrans-91.8-16175.9-73.2179.6171.876.3-7.8114V298 L302 Y310 M965 E1079 L1080 Y1081V298-R1083 HydrophobicContact CB-CG 3.95Å; V298-R1083 HydrophobicContact CG2-CG 4.49Å; L302-R1083 VanDerWaalsContact CD2-NE 3.28Å; Y310-R1083 PolarHBondContact OH-NH2 2.66Å; M965-R1083 HydrophobicContact CE-CB 3.85Å; M965-R1083 HydrophobicContact SD-CB 3.86Å; E1079-R1083 PolarHBondContact O-NH1 3.27Å; E1079-R1083 IonicContact OE1-CZ 3.5Å; E1079-R1083 IonicContact OE1-NH1 2.75Å; E1079-R1083 PolarHBondContact OE1-NH1 3.48Å; E1079-R1083 IonicContact OE1-NH2 2.94Å; E1079-R1083 PolarHBondContact OE1-NH2 3.11Å; E1079-R1083 IonicContact OE2-NH1 3.29Å; L1080-R1083 PolarHBondContact O-N 3Å; Y1081-R1083 PolarHBondContact O-N 2.75Å
1084L92.6Very high92.3Very high9 Ų939.9 Ų39.95%0.04720%0.201CC..SBendtrans-77.4139.8172.1-60.2-176.6000109.4V961 M965 Y1059 L1062 L1066 L1080 Y1081V961-L1084 HydrophobicContact CG1-CD2 4.32Å; M965-L1084 HydrophobicContact CG-CD2 4.38Å; Y1059-L1084 HydrophobicContact CE2-CB 4.22Å; L1062-L1084 HydrophobicContact CB-CD1 3.93Å; L1062-L1084 HydrophobicContact CD1-CD2 4.17Å; L1066-L1084 HydrophobicContact CD1-CD1 3.74Å; L1080-L1084 PolarHBondContact O-N 3.36Å; Y1081-L1084 PolarHBondContact O-N 3.3Å
1085R90.7Very high92.2Very high123 Ų12339.9 Ų39.946%0.46420%0.201SC..PPolyproline II helixtrans-60.5141.2170-69-174.6171.4-159.1-6.9109.6D970 F972 P974 Y1059D970-R1085 PolarHBondContact O-NH1 3.43Å; D970-R1085 VanDerWaalsContact O-NH1 3.08Å; D970-R1085 PolarHBondContact O-NH2 3.21Å; F972-R1085 WeakPolarHBondContact O-CD 3.43Å; F972-R1085 PolarHBondContact O-NH1 2.97Å; P974-R1085 HydrophobicContact CG-CB 4.32Å; Y1059-R1085 VanDerWaalsContact CE2-O 3.27Å; Y1059-R1085 WeakPolarHBondContact CE2-O 3.06Å; Y1059-R1085 VanDerWaalsContact CZ-O 3.28Å; Y1059-R1085 PolarHBondContact OH-O 2.92Å
1086R89.6Confident92.1Very high39 Ų3939.7 Ų39.715%0.14720%0.2CC..PPolyproline II helixtrans-80144.2177.7-67.6-70.1179.7-111.2-5.6110.4Y1081 Q1082 P1089 D1092Y1081-R1086 PolarHBondContact O-NH1 3.38Å; Y1081-R1086 PolarHBondContact O-NH2 3.18Å; Q1082-R1086 VanDerWaalsContact CD-NH2 3.25Å; Q1082-R1086 VanDerWaalsContact OE1-NH2 3.1Å; R1086-P1089 HydrophobicContact CB-CB 4.36Å; R1086-P1089 HydrophobicContact CB-CG 4.12Å; R1086-D1092 HydrophobicContact CB-CB 4.42Å; R1086-D1092 WeakPolarHBondContact CB-OD2 3.42Å
1087R90.1Very high92Very high33 Ų3339.7 Ų39.713%0.12520%0.2CC..SBendtrans-68.6-39.7176.1-69.8-172.7-174.4-91.63110.5P974 S975 K977 Y1059 T1060 D1063 D1092P974-R1087 HydrophobicContact CB-CG 4.15Å; P974-R1087 HydrophobicContact CG-CG 4.37Å; S975-R1087 WeakPolarHBondContact O-CD 3.28Å; S975-R1087 WeakPolarHBondContact O-CG 3.46Å; S975-R1087 PolarHBondContact O-NH1 3.03Å; K977-R1087 PolarHBondContact O-NH1 2.94Å; Y1059-R1087 HydrophobicContact CE1-CG 3.89Å; Y1059-R1087 VanDerWaalsContact CE1-CZ 3.49Å; T1060-R1087 PolarHBondContact OG1-NH2 3.14Å; D1063-R1087 IonicContact OD2-NE 3.6Å; D1063-R1087 IonicContact OD2-NH2 3.88Å; R1087-D1092 PolarHBondContact N-OD2 3.39Å; R1087-D1092 VanDerWaalsContact N-OD2 3.1Å
1088K86.9Confident91.9Very high75 Ų7540.6 Ų40.633%0.32621%0.205SC..SBendtrans-134.380177.9-58.1179.4-180-179.40110E976 Q1090 T1091 D1092E976-K1088 WeakPolarHBondContact O-CE 3.46Å; K1088-Q1090 PolarHBondContact O-N 3.45Å; K1088-T1091 WeakPolarHBondContact CB-OG1 3.37Å; K1088-T1091 PolarHBondContact O-N 2.94Å; K1088-D1092 WeakPolarHBondContact CB-OD1 3.36Å; K1088-D1092 PolarHBondContact N-OD2 3.27Å; K1088-D1092 VanDerWaalsContact O-CB 3.27Å; K1088-D1092 WeakPolarHBondContact O-CB 3.21Å; K1088-D1092 PolarHBondContact O-N 2.94Å
1089P79.7Confident91.8Very high86 Ų8641.1 Ų41.156%0.55821%0.209SC*.THydrogen-bonded Turntrans-52.6-30.4-171.4-26.132.9000115.4R1086R1086-P1089 HydrophobicContact CB-CB 4.36Å; R1086-P1089 HydrophobicContact CB-CG 4.12Å
1090Q78.1Confident91.6Very high170 Ų17044.9 Ų44.979%0.79424%0.235SC*.THydrogen-bonded Turntrans-81.3-24.5-178.1-62.278.39.900113.7K1088K1088-Q1090 PolarHBondContact O-N 3.45Å
1091T83.8Confident91.6Very high106 Ų10645.6 Ų45.665%0.6524%0.238SC*.THydrogen-bonded Turntrans-117.9-17.4-174.7600000113.4K1088K1088-T1091 WeakPolarHBondContact CB-OG1 3.37Å; K1088-T1091 PolarHBondContact O-N 2.94Å
1092D86.5Confident91.6Very high44 Ų4445.5 Ų45.524%0.23524%0.238CC..SBendtrans-66137.3179.2-76.9-6.8000109.9R1086 R1087 K1088R1086-D1092 HydrophobicContact CB-CB 4.42Å; R1086-D1092 WeakPolarHBondContact CB-OD2 3.42Å; R1087-D1092 PolarHBondContact N-OD2 3.39Å; R1087-D1092 VanDerWaalsContact N-OD2 3.1Å; K1088-D1092 WeakPolarHBondContact CB-OD1 3.36Å; K1088-D1092 PolarHBondContact N-OD2 3.27Å; K1088-D1092 VanDerWaalsContact O-CB 3.27Å; K1088-D1092 WeakPolarHBondContact O-CB 3.21Å; K1088-D1092 PolarHBondContact O-N 2.94Å
1093P92.6Very high91.4Very high41 Ų4147.5 Ų47.527%0.26625%0.249SC..  trans-57.1146.4177.1-26.736.9000112S1095 V1098P1093-S1095 PolarHBondContact O-N 3.4Å; P1093-V1098 HydrophobicContact CB-CB 4.49Å; P1093-V1098 HydrophobicContact CB-CG2 3.81Å; P1093-V1098 WeakPolarHBondContact CB-O 3.37Å; P1093-V1098 WeakPolarHBondContact CG-O 2.91Å
1094P94.4Very high91.4Very high58 Ų5848.9 Ų48.938%0.37726%0.26SS..SBendtrans-68.3-19.6-171.926.3-36000113.8W318 F324 Q1082W318-P1094 WeakPolarHBondContact CH2-O 3.46Å; F324-P1094 HydrophobicContact CE1-CG 3.61Å; F324-P1094 HydrophobicContact CZ-CB 4.19Å; F324-P1094 HydrophobicContact CZ-CG 3.61Å; Q1082-P1094 PolarHBondContact NE2-O 3.38Å
1095S97Very high91.4Very high0 Ų054 Ų540%029%0.292CS..SBendtrans-136.5149.3-174.81620000111.3E1078 P1093 C1097 V1098 T1099E1078-S1095 WeakPolarHBondContact OE1-CA 3.42Å; E1078-S1095 PolarHBondContact OE1-OG 3.03Å; E1078-S1095 PolarHBondContact OE2-OG 3.41Å; P1093-S1095 PolarHBondContact O-N 3.4Å; S1095-C1097 PolarHBondContact O-N 3.23Å; S1095-C1097 VanDerWaalsContact OG-CB 3.25Å; S1095-C1097 WeakPolarHBondContact OG-CB 3.06Å; S1095-C1097 PolarHBondContact OG-N 3.17Å; S1095-C1097 PolarHBondContact OG-SG 3Å; S1095-V1098 WeakPolarHBondContact O-CG2 3.32Å; S1095-V1098 PolarHBondContact O-N 2.82Å; S1095-T1099 PolarHBondContact O-N 3.38Å; S1095-T1099 PolarHBondContact O-OG1 3.02Å
1096I97.4Very high91.5Very high0 Ų052.3 Ų52.30%029%0.289CS..G310 helixtrans-60.6-29.8173.1-162.2168.7000111.6L1066 R1067 S1070 E1078 Y1081 V1098 T1099L1066-I1096 HydrophobicContact CB-CD1 4.07Å; R1067-I1096 HydrophobicContact CG-CD1 4.12Å; R1067-I1096 HydrophobicContact CG-CG1 4.14Å; S1070-I1096 WeakPolarHBondContact OG-CG2 3.46Å; E1078-I1096 HydrophobicContact CB-CG2 4.02Å; E1078-I1096 PolarHBondContact OE1-N 3.14Å; E1078-I1096 WeakPolarHBondContact OE2-CG2 3.48Å; Y1081-I1096 HydrophobicContact CD1-CB 3.47Å; Y1081-I1096 VanDerWaalsContact CD1-CB 3.47Å; Y1081-I1096 HydrophobicContact CD1-CD1 4.3Å; Y1081-I1096 HydrophobicContact CD1-CG1 4.03Å; Y1081-I1096 HydrophobicContact CD2-CD1 3.98Å; Y1081-I1096 HydrophobicContact CD2-CG1 4.35Å; Y1081-I1096 HydrophobicContact CE1-CB 3.94Å; Y1081-I1096 HydrophobicContact CE1-CG1 4.31Å; Y1081-I1096 HydrophobicContact CG-CB 3.88Å; Y1081-I1096 HydrophobicContact CG-CD1 3.81Å; Y1081-I1096 HydrophobicContact CG-CG1 4.05Å; I1096-V1098 PolarHBondContact O-N 2.94Å; I1096-V1098 VanDerWaalsContact O-N 3.09Å; I1096-T1099 PolarHBondContact O-N 3.37Å; I1096-T1099 VanDerWaalsContact O-N 3.09Å
1097C94.8Very high91.7Very high0 Ų050.5 Ų50.50%028%0.283CS..G310 helixtrans-59.7-22.3-179.8-61.90000114R372 E1078 S1095R372-C1097 PolarHBondContact NH1-SG 3.21Å; E1078-C1097 PolarHBondContact OE2-SG 3.04Å; E1078-C1097 VanDerWaalsContact OE2-SG 3.33Å; S1095-C1097 PolarHBondContact O-N 3.23Å; S1095-C1097 VanDerWaalsContact OG-CB 3.25Å; S1095-C1097 WeakPolarHBondContact OG-CB 3.06Å; S1095-C1097 PolarHBondContact OG-N 3.17Å; S1095-C1097 PolarHBondContact OG-SG 3Å
1098V96.4Very high91.9Very high20 Ų2053 Ų5312%0.12130%0.304CS..G310 helixtrans-12413.7-179.1-68.10000111.8F324 F329 P1093 S1095 I1096F324-V1098 HydrophobicContact CB-CG1 3.91Å; F324-V1098 HydrophobicContact CD1-CG1 4.08Å; F324-V1098 HydrophobicContact CD1-CG2 4.17Å; F324-V1098 HydrophobicContact CE1-CG2 4.34Å; F324-V1098 HydrophobicContact CG-CG1 4.14Å; F329-V1098 HydrophobicContact CD1-CB 4.29Å; F329-V1098 HydrophobicContact CD1-CG1 3.79Å; F329-V1098 HydrophobicContact CE1-CB 3.8Å; F329-V1098 HydrophobicContact CE1-CG1 3.71Å; F329-V1098 HydrophobicContact CE1-CG2 3.89Å; F329-V1098 HydrophobicContact CZ-CG1 4.43Å; F329-V1098 HydrophobicContact CZ-CG2 4.19Å; P1093-V1098 HydrophobicContact CB-CB 4.49Å; P1093-V1098 HydrophobicContact CB-CG2 3.81Å; P1093-V1098 WeakPolarHBondContact CB-O 3.37Å; P1093-V1098 WeakPolarHBondContact CG-O 2.91Å; S1095-V1098 WeakPolarHBondContact O-CG2 3.32Å; S1095-V1098 PolarHBondContact O-N 2.82Å; I1096-V1098 PolarHBondContact O-N 2.94Å; I1096-V1098 VanDerWaalsContact O-N 3.09Å
1099T95.9Very high92.2Very high11 Ų1151.2 Ų51.27%0.06730%0.295CS..SBendtrans-86.6144173.5-59.70000110.1M376 R1067 S1095 I1096 Y1101M376-T1099 WeakPolarHBondContact CB-O 3.27Å; M376-T1099 VanDerWaalsContact CE-O 3.3Å; M376-T1099 WeakPolarHBondContact CE-O 3.5Å; M376-T1099 VanDerWaalsContact CG-O 3.31Å; M376-T1099 WeakPolarHBondContact CG-O 3.33Å; R1067-T1099 HydrophobicContact CG-CG2 4.48Å; S1095-T1099 PolarHBondContact O-N 3.38Å; S1095-T1099 PolarHBondContact O-OG1 3.02Å; I1096-T1099 PolarHBondContact O-N 3.37Å; I1096-T1099 VanDerWaalsContact O-N 3.09Å; T1099-Y1101 PolarHBondContact O-N 3.4Å
1100S95.3Very high92.8Very high79 Ų7951.5 Ų51.555%0.55229%0.292SS*.PPolyproline II helixtrans-58.3131.8-177.9-60.50000112.9M376 R1067M376-S1100 CarbonylContact O-C 3.49Å; M376-S1100 VanDerWaalsContact O-CA 3.24Å; M376-S1100 WeakPolarHBondContact O-CA 3.33Å; R1067-S1100 PolarHBondContact NH1-O 3.26Å
1101Y97.3Very high93.6Very high14 Ų1444.4 Ų44.46%0.05526%0.261CS..PPolyproline II helixtrans-66.5142.2176-159.4-101.6000109.9W373 M376 F1006 R1067 L1068 P1071 T1099 D1103W373-Y1101 AromaticContact CD1-CD1 3.66Å; W373-Y1101 AromaticContact CD1-CD2 4Å; W373-Y1101 AromaticContact CD1-CE1 3.72Å; W373-Y1101 AromaticContact CD1-CG 3.81Å; W373-Y1101 AromaticContact CD1-CZ 3.93Å; W373-Y1101 AromaticContact NE1-CD1 3.66Å; W373-Y1101 AromaticContact NE1-CE1 3.75Å; M376-Y1101 HydrophobicContact CB-CD2 4.29Å; M376-Y1101 HydrophobicContact CB-CG 4.47Å; M376-Y1101 HydrophobicContact CE-CD2 3.86Å; M376-Y1101 PolarHBondContact O-N 3.45Å; M376-Y1101 HydrophobicContact SD-CD2 3.99Å; F1006-Y1101 AromaticContact CE2-CZ 3.94Å; F1006-Y1101 WeakPolarHBondContact CE2-OH 3.47Å; R1067-Y1101 VanDerWaalsContact O-CE2 3.31Å; R1067-Y1101 WeakPolarHBondContact O-CE2 3.47Å; L1068-Y1101 WeakPolarHBondContact CA-OH 3.38Å; L1068-Y1101 HydrophobicContact CD2-CE1 3.82Å; L1068-Y1101 WeakPolarHBondContact CD2-OH 3.33Å; L1068-Y1101 PolarHBondContact O-OH 2.87Å; L1068-Y1101 VanDerWaalsContact O-OH 3.1Å; P1071-Y1101 HydrophobicContact CG-CD2 4.2Å; P1071-Y1101 HydrophobicContact CG-CE2 3.69Å; T1099-Y1101 PolarHBondContact O-N 3.4Å; Y1101-D1103 PolarHBondContact O-N 3.41Å
1102P96.3Very high94.1Very high5 Ų547.8 Ų47.83%0.03227%0.27CS..PPolyproline II helixtrans-58.9130.7178.2-27.739.3000112V999 V1064 R1067 L1068 F1107V999-P1102 HydrophobicContact CG1-CB 4.17Å; V999-P1102 HydrophobicContact CG2-CB 3.92Å; V1064-P1102 HydrophobicContact CG1-CB 3.74Å; V1064-P1102 HydrophobicContact CG1-CG 3.64Å; R1067-P1102 HydrophobicContact CB-CG 3.78Å; L1068-P1102 HydrophobicContact CD2-CB 3.92Å; L1068-P1102 HydrophobicContact CD2-CG 3.83Å; L1068-P1102 HydrophobicContact CG-CB 4.44Å; L1068-P1102 HydrophobicContact CG-CG 4.02Å; P1102-F1107 HydrophobicContact CB-CD2 3.85Å; P1102-F1107 HydrophobicContact CB-CE2 3.86Å
1103D90.7Very high94.5Very high61 Ų6150.8 Ų50.833%0.32628%0.282SS..  trans-109.9145.6-176.9-175.491.7000111.4Y1101 T1105 E1106 F1107Y1101-D1103 PolarHBondContact O-N 3.41Å; D1103-T1105 PolarHBondContact O-N 2.91Å; D1103-T1105 WeakPolarHBondContact OD2-CA 3.41Å; D1103-T1105 WeakPolarHBondContact OD2-CB 3.33Å; D1103-T1105 WeakPolarHBondContact OD2-CG2 3.36Å; D1103-T1105 PolarHBondContact OD2-N 2.73Å; D1103-T1105 PolarHBondContact OD2-OG1 2.97Å; D1103-E1106 HydrophobicContact CB-CB 4.49Å; D1103-E1106 PolarHBondContact O-N 3.42Å; D1103-F1107 WeakPolarHBondContact O-CD2 3.3Å; D1103-F1107 PolarHBondContact O-N 2.69Å
1104T94.3Very high94.7Very high53 Ų5349.2 Ų49.233%0.32527%0.272SS..THydrogen-bonded Turntrans-68-21.6-177.751.40000113.5V999 A1000 D1003 C1108V999-T1104 HydrophobicContact CG1-CG2 4.06Å; A1000-T1104 HydrophobicContact CB-CG2 4.09Å; D1003-T1104 HydrophobicContact CB-CG2 4.2Å; T1104-C1108 WeakPolarHBondContact O-CB 3.48Å
1105T92.1Very high94.7Very high115 Ų11547.8 Ų47.871%0.70626%0.261SS*.THydrogen-bonded Turntrans-77.7-33.7173.368.50000112D1103 C1108D1103-T1105 PolarHBondContact O-N 2.91Å; D1103-T1105 WeakPolarHBondContact OD2-CA 3.41Å; D1103-T1105 WeakPolarHBondContact OD2-CB 3.33Å; D1103-T1105 WeakPolarHBondContact OD2-CG2 3.36Å; D1103-T1105 PolarHBondContact OD2-N 2.73Å; D1103-T1105 PolarHBondContact OD2-OG1 2.97Å; T1105-C1108 PolarHBondContact O-SG 2.95Å
1106E91.7Very high94.7Very high88 Ų8854.9 Ų54.941%0.41129%0.288SS..THydrogen-bonded Turntrans-75.2-42.6176.6-172.1-179.1-172.800111.1D1103D1103-E1106 HydrophobicContact CB-CB 4.49Å; D1103-E1106 PolarHBondContact O-N 3.42Å
1107F94.8Very high94.6Very high2 Ų255.5 Ų55.51%0.00929%0.291CS..SBendtrans-110.473-176.4-57.8-73.2000111A978 S996 V999 T1060 V1064 P1102 D1103 W1109A978-F1107 HydrophobicContact CB-CE1 3.86Å; A978-F1107 HydrophobicContact CB-CZ 4.5Å; S996-F1107 VanDerWaalsContact CB-O 3.26Å; S996-F1107 WeakPolarHBondContact CB-O 3.28Å; S996-F1107 PolarHBondContact OG-O 2.81Å; V999-F1107 HydrophobicContact CG2-CB 4.11Å; V999-F1107 HydrophobicContact CG2-CD2 4.42Å; V999-F1107 HydrophobicContact CG2-CG 4.42Å; T1060-F1107 HydrophobicContact CG2-CE1 4.43Å; V1064-F1107 HydrophobicContact CG1-CD2 4.36Å; V1064-F1107 HydrophobicContact CG1-CE1 4.47Å; V1064-F1107 HydrophobicContact CG1-CE2 4.27Å; V1064-F1107 HydrophobicContact CG1-CZ 4.34Å; V1064-F1107 HydrophobicContact CG2-CD1 4.13Å; V1064-F1107 HydrophobicContact CG2-CE1 3.4Å; V1064-F1107 VanDerWaalsContact CG2-CE1 3.4Å; V1064-F1107 HydrophobicContact CG2-CE2 4.13Å; V1064-F1107 HydrophobicContact CG2-CZ 3.41Å; V1064-F1107 VanDerWaalsContact CG2-CZ 3.41Å; P1102-F1107 HydrophobicContact CB-CD2 3.85Å; P1102-F1107 HydrophobicContact CB-CE2 3.86Å; D1103-F1107 WeakPolarHBondContact O-CD2 3.3Å; D1103-F1107 PolarHBondContact O-N 2.69Å; F1107-W1109 HydrophobicContact CD1-CE3 4.36Å; F1107-W1109 AromaticContact CD1-CH2 3.55Å; F1107-W1109 HydrophobicContact CD1-CH2 3.55Å; F1107-W1109 HydrophobicContact CD1-CZ2 4.38Å; F1107-W1109 AromaticContact CD1-CZ3 3.54Å; F1107-W1109 HydrophobicContact CD1-CZ3 3.54Å; F1107-W1109 AromaticContact CE1-CH2 3.85Å; F1107-W1109 HydrophobicContact CE1-CH2 3.85Å; F1107-W1109 HydrophobicContact CE1-CZ3 4.14Å
1108C93.1Very high94.6Very high84 Ų8455.6 Ų55.657%0.56829%0.292SS*.  trans-110.633.8-174.555.80000113.7T1104 T1105 N1110T1104-C1108 WeakPolarHBondContact O-CB 3.48Å; T1105-C1108 PolarHBondContact O-SG 2.95Å; C1108-N1110 VanDerWaalsContact C-N 3.29Å; C1108-N1110 PolarHBondContact O-N 3.46Å
1109W95.1Very high94.6Very high39 Ų3961 Ų6115%0.14832%0.315CS..  trans-90.722-173.7-50.2-46.8000114.5A978 L980 L992 S993 S996 T1060 F1107 S1111A978-W1109 HydrophobicContact CB-CH2 3.82Å; A978-W1109 HydrophobicContact CB-CZ2 4.48Å; L980-W1109 HydrophobicContact CD1-CG 4.26Å; L980-W1109 HydrophobicContact CG-CG 4.39Å; L992-W1109 HydrophobicContact CB-CB 4.27Å; L992-W1109 HydrophobicContact CB-CD2 4.46Å; L992-W1109 HydrophobicContact CB-CE3 3.84Å; L992-W1109 HydrophobicContact CD1-CE3 4.32Å; L992-W1109 HydrophobicContact CD2-CE3 3.77Å; L992-W1109 HydrophobicContact CD2-CZ3 3.67Å; L992-W1109 HydrophobicContact CG-CE3 4.18Å; S993-W1109 WeakPolarHBondContact CA-O 3.45Å; S996-W1109 PolarHBondContact OG-N 2.87Å; T1060-W1109 HydrophobicContact CG2-CH2 4.21Å; T1060-W1109 HydrophobicContact CG2-CZ3 4.1Å; F1107-W1109 HydrophobicContact CD1-CE3 4.36Å; F1107-W1109 AromaticContact CD1-CH2 3.55Å; F1107-W1109 HydrophobicContact CD1-CH2 3.55Å; F1107-W1109 HydrophobicContact CD1-CZ2 4.38Å; F1107-W1109 AromaticContact CD1-CZ3 3.54Å; F1107-W1109 HydrophobicContact CD1-CZ3 3.54Å; F1107-W1109 AromaticContact CE1-CH2 3.85Å; F1107-W1109 HydrophobicContact CE1-CH2 3.85Å; F1107-W1109 HydrophobicContact CE1-CZ3 4.14Å; W1109-S1111 PolarHBondContact O-N 3.47Å
1110N92.1Very high94.5Very high91 Ų9162 Ų6249%0.48732%0.319SS..  trans-58.4134177.1-74.4-31.5000111S993 S996 A997 C1108S993-N1110 PolarHBondContact O-OD1 3.36Å; S996-N1110 WeakPolarHBondContact CB-OD1 3.33Å; A997-N1110 PolarHBondContact N-OD1 3.37Å; C1108-N1110 VanDerWaalsContact C-N 3.29Å; C1108-N1110 PolarHBondContact O-N 3.46Å
1111S95.2Very high94.5Very high22 Ų2258.3 Ų58.315%0.15429%0.293CS..  trans-142.398.1179.8-179.70000110.5S993 W1109 E1113 V1114 D1115S993-S1111 PolarHBondContact OG-N 3.15Å; W1109-S1111 PolarHBondContact O-N 3.47Å; S1111-E1113 PolarHBondContact O-N 3.4Å; S1111-V1114 PolarHBondContact O-N 2.92Å; S1111-V1114 VanDerWaalsContact OG-CG2 3.26Å; S1111-V1114 WeakPolarHBondContact OG-CG2 3.32Å; S1111-V1114 PolarHBondContact OG-N 2.95Å; S1111-D1115 PolarHBondContact O-N 3.34Å
1112E93.8Very high94.4Very high176 Ų17659 Ų5982%0.82230%0.298SS*.Hα-helixtrans-58.9-36.1180-66.3-175.5175.600112.6R1116E1112-R1116 VanDerWaalsContact O-CB 3.27Å; E1112-R1116 WeakPolarHBondContact O-CB 3.46Å; E1112-R1116 PolarHBondContact O-N 3.36Å
1113E95.1Very high94.3Very high108 Ų10861.2 Ų61.251%0.50531%0.311SS..Hα-helixtrans-61.7-50.7176.8-174.2-167149.700111.1S1111 D1115 R1116 D1117S1111-E1113 PolarHBondContact O-N 3.4Å; E1113-D1115 VanDerWaalsContact C-N 3.34Å; E1113-D1115 PolarHBondContact O-N 3.37Å; E1113-R1116 PolarHBondContact O-N 3.04Å; E1113-D1117 VanDerWaalsContact O-CB 3.31Å; E1113-D1117 WeakPolarHBondContact O-CB 3.33Å; E1113-D1117 PolarHBondContact O-N 3.26Å
1114V95.7Very high94.6Very high7 Ų758.3 Ų58.34%0.04230%0.295CS..Hα-helixtrans-67.1-38.8-177.5173.20000110.9R989 W990 S1111 M1118R989-V1114 HydrophobicContact CB-CG1 4.48Å; W990-V1114 HydrophobicContact CB-CG1 3.61Å; W990-V1114 HydrophobicContact CG-CG1 4.42Å; S1111-V1114 PolarHBondContact O-N 2.92Å; S1111-V1114 VanDerWaalsContact OG-CG2 3.26Å; S1111-V1114 WeakPolarHBondContact OG-CG2 3.32Å; S1111-V1114 PolarHBondContact OG-N 2.95Å; V1114-M1118 VanDerWaalsContact O-CB 3.25Å; V1114-M1118 WeakPolarHBondContact O-CB 3.38Å; V1114-M1118 PolarHBondContact O-N 3.36Å
1115D95.7Very high94.7Very high29 Ų2955.8 Ų55.816%0.15528%0.28CS..Hα-helixtrans-63.1-48.6177.2-80.918.9000111.3S993 R994 S1111 E1113 M1118 E1119S993-D1115 VanDerWaalsContact CB-OD1 3.3Å; S993-D1115 WeakPolarHBondContact CB-OD1 3.44Å; S993-D1115 VanDerWaalsContact OG-CG 3.32Å; S993-D1115 PolarHBondContact OG-OD1 3.5Å; S993-D1115 PolarHBondContact OG-OD2 3.01Å; R994-D1115 WeakPolarHBondContact CD-OD2 3.36Å; R994-D1115 IonicContact CZ-OD2 2.74Å; R994-D1115 IonicContact NH1-OD2 3.15Å; R994-D1115 PolarHBondContact NH1-OD2 2.83Å; S1111-D1115 PolarHBondContact O-N 3.34Å; E1113-D1115 VanDerWaalsContact C-N 3.34Å; E1113-D1115 PolarHBondContact O-N 3.37Å; D1115-M1118 PolarHBondContact O-N 3.41Å; D1115-E1119 WeakPolarHBondContact O-CB 3.44Å; D1115-E1119 PolarHBondContact O-N 2.94Å
1116R95.4Very high94.8Very high149 Ų14956.9 Ų56.956%0.56228%0.275SS*.Hα-helixtrans-62.9-44.5177.8-177.2-166.164.8-139.5-8.5112E1112 E1113 E1119 F1120E1112-R1116 VanDerWaalsContact O-CB 3.27Å; E1112-R1116 WeakPolarHBondContact O-CB 3.46Å; E1112-R1116 PolarHBondContact O-N 3.36Å; E1113-R1116 PolarHBondContact O-N 3.04Å; R1116-E1119 PolarHBondContact O-N 2.93Å; R1116-F1120 PolarHBondContact O-N 3.49Å
1117D95.8Very high94.8Very high13 Ų1353.9 Ų53.97%0.0726%0.263CS..Hα-helixtrans-66.2-40.3-178.9-70.23.9000111.2E1113 F1120 A1121 L1156 Y1160E1113-D1117 VanDerWaalsContact O-CB 3.31Å; E1113-D1117 WeakPolarHBondContact O-CB 3.33Å; E1113-D1117 PolarHBondContact O-N 3.26Å; D1117-F1120 PolarHBondContact O-N 2.95Å; D1117-A1121 PolarHBondContact O-N 3.14Å; D1117-L1156 HydrophobicContact CB-CD1 3.74Å; D1117-L1156 HydrophobicContact CB-CG 4.49Å; D1117-L1156 WeakPolarHBondContact OD1-CD1 3.27Å; D1117-L1156 WeakPolarHBondContact OD2-CD1 3.42Å; D1117-Y1160 HydrophobicContact CB-CE2 3.72Å; D1117-Y1160 WeakPolarHBondContact CB-OH 3.47Å
1118M95.6Very high94.8Very high1 Ų153.8 Ų53.81%0.00526%0.262CS..Hα-helixtrans-68.6-37.5174.5-171.566171.600112W990 V1029 V1114 D1115 F1120 A1121 M1122 Y1160 Q1163W990-M1118 HydrophobicContact CD2-CB 4.46Å; W990-M1118 HydrophobicContact CD2-CE 4.26Å; W990-M1118 HydrophobicContact CD2-CG 3.74Å; W990-M1118 HydrophobicContact CE3-CE 4.1Å; W990-M1118 HydrophobicContact CE3-CG 4.5Å; W990-M1118 HydrophobicContact CG-CB 3.97Å; W990-M1118 HydrophobicContact CG-CG 3.73Å; W990-M1118 HydrophobicContact CZ2-CG 4.32Å; W990-M1118 HydrophobicContact CZ3-CE 4.31Å; V1029-M1118 HydrophobicContact CG1-CE 3.38Å; V1114-M1118 VanDerWaalsContact O-CB 3.25Å; V1114-M1118 WeakPolarHBondContact O-CB 3.38Å; V1114-M1118 PolarHBondContact O-N 3.36Å; D1115-M1118 PolarHBondContact O-N 3.41Å; M1118-F1120 VanDerWaalsContact C-N 3.31Å; M1118-F1120 PolarHBondContact O-N 2.92Å; M1118-A1121 PolarHBondContact O-N 3.18Å; M1118-M1122 HydrophobicContact CE-SD 4.31Å; M1118-M1122 HydrophobicContact CG-CG 4.48Å; M1118-M1122 WeakPolarHBondContact O-CB 3.43Å; M1118-M1122 VanDerWaalsContact O-CG 3.3Å; M1118-M1122 WeakPolarHBondContact O-CG 3.26Å; M1118-M1122 PolarHBondContact O-N 3.27Å; M1118-Y1160 HydrophobicContact CB-CE1 4.01Å; M1118-Y1160 HydrophobicContact CG-CE1 4.44Å; M1118-Y1160 HydrophobicContact SD-CD1 3.65Å; M1118-Y1160 HydrophobicContact SD-CE1 3.66Å; M1118-Q1163 HydrophobicContact CE-CB 4.44Å; M1118-Q1163 HydrophobicContact CE-CG 4.31Å
1119E94.8Very high94.8Very high133 Ų13355.2 Ų55.262%0.62126%0.256SS*.Hα-helixtrans-60.3-41.6174.3-178.2173-157.200111.7D1115 R1116 M1122 T1123D1115-E1119 WeakPolarHBondContact O-CB 3.44Å; D1115-E1119 PolarHBondContact O-N 2.94Å; R1116-E1119 PolarHBondContact O-N 2.93Å; E1119-M1122 PolarHBondContact O-N 2.96Å; E1119-T1123 PolarHBondContact O-N 3.33Å; E1119-T1123 PolarHBondContact O-OG1 2.77Å
1120F95.1Very high94.6Very high32 Ų3256.5 Ų56.514%0.1427%0.271CS..Hα-helixtrans-62.5-46.9173.3-175.9-107000111.9R1116 D1117 M1118 M1122 T1123 V1124 T1153 L1156 L1157 S1192 R1194 C1195R1116-F1120 PolarHBondContact O-N 3.49Å; D1117-F1120 PolarHBondContact O-N 2.95Å; M1118-F1120 VanDerWaalsContact C-N 3.31Å; M1118-F1120 PolarHBondContact O-N 2.92Å; F1120-M1122 VanDerWaalsContact C-N 3.29Å; F1120-M1122 PolarHBondContact O-N 2.58Å; F1120-T1123 WeakPolarHBondContact O-CB 3.36Å; F1120-T1123 PolarHBondContact O-N 3.39Å; F1120-T1123 VanDerWaalsContact O-N 3.08Å; F1120-V1124 HydrophobicContact CE1-CG2 4.47Å; F1120-V1124 PolarHBondContact O-N 2.75Å; F1120-V1124 VanDerWaalsContact O-N 3.1Å; F1120-T1153 HydrophobicContact CE1-CG2 4.1Å; F1120-T1153 HydrophobicContact CZ-CG2 4.23Å; F1120-L1156 HydrophobicContact CD1-CD2 3.41Å; F1120-L1156 VanDerWaalsContact CD1-CD2 3.41Å; F1120-L1156 HydrophobicContact CE1-CD2 3.94Å; F1120-L1156 HydrophobicContact CG-CD2 4.41Å; F1120-L1157 HydrophobicContact CD1-CD2 4.03Å; F1120-L1157 HydrophobicContact CE1-CD1 4.18Å; F1120-L1157 HydrophobicContact CE1-CD2 3.81Å; F1120-L1157 HydrophobicContact CE1-CG 4.08Å; F1120-S1192 VanDerWaalsContact CE2-OG 3.24Å; F1120-S1192 WeakPolarHBondContact CE2-OG 3.25Å; F1120-R1194 HydrophobicContact CE2-CB 4.43Å; F1120-R1194 HydrophobicContact CZ-CB 4.15Å; F1120-C1195 HydrophobicContact CZ-CB 3.87Å
1121A95.8Very high94.3Very high2 Ų252.7 Ų52.72%0.01725%0.25CS..Hα-helixtrans-58.7-40.3175.100000112.1D1117 M1118 T1123 V1124 V1125 Y1160 I1164D1117-A1121 PolarHBondContact O-N 3.14Å; M1118-A1121 PolarHBondContact O-N 3.18Å; A1121-T1123 VanDerWaalsContact C-N 3.32Å; A1121-T1123 PolarHBondContact O-N 3.1Å; A1121-V1124 WeakPolarHBondContact O-CB 3.38Å; A1121-V1124 PolarHBondContact O-N 2.77Å; A1121-V1125 WeakPolarHBondContact O-CG2 3.27Å; A1121-V1125 PolarHBondContact O-N 3.37Å; A1121-Y1160 HydrophobicContact CB-CD1 4.24Å; A1121-Y1160 HydrophobicContact CB-CG 4.16Å; A1121-I1164 HydrophobicContact CB-CD1 4.16Å; A1121-I1164 HydrophobicContact CB-CG1 4.03Å
1122M95.4Very high94Very high30 Ų3052.3 Ų52.315%0.14825%0.245CC..Hα-helixtrans-67.5-30.7176.1-72.6-55.6-61.900112.9V1029 M1118 E1119 F1120 V1125 K1126 L1167V1029-M1122 HydrophobicContact CG1-SD 4.13Å; V1029-M1122 HydrophobicContact CG2-CE 3.75Å; V1029-M1122 HydrophobicContact CG2-SD 4.19Å; M1118-M1122 HydrophobicContact CE-SD 4.31Å; M1118-M1122 HydrophobicContact CG-CG 4.48Å; M1118-M1122 WeakPolarHBondContact O-CB 3.43Å; M1118-M1122 VanDerWaalsContact O-CG 3.3Å; M1118-M1122 WeakPolarHBondContact O-CG 3.26Å; M1118-M1122 PolarHBondContact O-N 3.27Å; E1119-M1122 PolarHBondContact O-N 2.96Å; F1120-M1122 VanDerWaalsContact C-N 3.29Å; F1120-M1122 PolarHBondContact O-N 2.58Å; M1122-V1125 HydrophobicContact CE-CG1 4.46Å; M1122-V1125 PolarHBondContact O-N 3.36Å; M1122-K1126 VanDerWaalsContact O-CG 3.28Å; M1122-K1126 WeakPolarHBondContact O-CG 3.46Å; M1122-K1126 PolarHBondContact O-N 3.29Å; M1122-L1167 HydrophobicContact CE-CD1 4.28Å; M1122-L1167 HydrophobicContact SD-CD1 3.52Å; M1122-L1167 VanDerWaalsContact SD-CD1 3.52Å
1123T93.8Very high93.7Very high50 Ų5047 Ų4731%0.30723%0.232SC..Hα-helixtrans-63.4-47171.2-60.60000110.4E1119 F1120 A1121 V1125 K1126 T1127 A1191E1119-T1123 PolarHBondContact O-N 3.33Å; E1119-T1123 PolarHBondContact O-OG1 2.77Å; F1120-T1123 WeakPolarHBondContact O-CB 3.36Å; F1120-T1123 PolarHBondContact O-N 3.39Å; F1120-T1123 VanDerWaalsContact O-N 3.08Å; A1121-T1123 VanDerWaalsContact C-N 3.32Å; A1121-T1123 PolarHBondContact O-N 3.1Å; T1123-V1125 PolarHBondContact O-N 2.97Å; T1123-K1126 PolarHBondContact O-N 3.07Å; T1123-T1127 PolarHBondContact O-N 3.15Å; T1123-T1127 PolarHBondContact O-OG1 2.91Å; T1123-T1127 VanDerWaalsContact O-OG1 3.13Å; T1123-A1191 WeakPolarHBondContact CG2-O 3.36Å
1124V96Very high93Very high0 Ų046.7 Ų46.70%023%0.234CC..Hα-helixtrans-59.1-44.6173.6176.40000111.4F1120 A1121 K1126 T1127 I1128 L1146 L1157 I1164 A1191 V1197F1120-V1124 HydrophobicContact CE1-CG2 4.47Å; F1120-V1124 PolarHBondContact O-N 2.75Å; F1120-V1124 VanDerWaalsContact O-N 3.1Å; A1121-V1124 WeakPolarHBondContact O-CB 3.38Å; A1121-V1124 PolarHBondContact O-N 2.77Å; V1124-K1126 PolarHBondContact O-N 3.28Å; V1124-T1127 PolarHBondContact O-N 2.85Å; V1124-I1128 HydrophobicContact CG1-CD1 3.81Å; V1124-I1128 HydrophobicContact CG1-CG1 4.37Å; V1124-I1128 VanDerWaalsContact O-CG1 3.29Å; V1124-I1128 WeakPolarHBondContact O-CG1 3.43Å; V1124-I1128 PolarHBondContact O-N 2.92Å; V1124-L1146 HydrophobicContact CG1-CD1 3.98Å; V1124-L1146 HydrophobicContact CG1-CD2 3.7Å; V1124-L1157 HydrophobicContact CG2-CD2 4.03Å; V1124-I1164 HydrophobicContact CG1-CG2 4.13Å; V1124-A1191 HydrophobicContact CG2-CB 4.06Å; V1124-V1197 HydrophobicContact CG1-CG2 4.07Å
1125V96.1Very high92.2Very high1 Ų148 Ų481%0.00624%0.238CC..Hα-helixtrans-58-46.2175.7167.90000111.9A1121 M1122 T1123 T1127 I1128 R1129 I1164 L1167A1121-V1125 WeakPolarHBondContact O-CG2 3.27Å; A1121-V1125 PolarHBondContact O-N 3.37Å; M1122-V1125 HydrophobicContact CE-CG1 4.46Å; M1122-V1125 PolarHBondContact O-N 3.36Å; T1123-V1125 PolarHBondContact O-N 2.97Å; V1125-T1127 VanDerWaalsContact C-N 3.34Å; V1125-I1128 PolarHBondContact O-N 3.41Å; V1125-R1129 HydrophobicContact CG1-CG 4.34Å; V1125-R1129 WeakPolarHBondContact O-CB 3.45Å; V1125-R1129 WeakPolarHBondContact O-CG 3.03Å; V1125-R1129 PolarHBondContact O-N 3.37Å; V1125-I1164 HydrophobicContact CG2-CB 4.22Å; V1125-I1164 HydrophobicContact CG2-CG1 4.23Å; V1125-I1164 HydrophobicContact CG2-CG2 4.13Å; V1125-L1167 HydrophobicContact CG1-CB 3.71Å; V1125-L1167 HydrophobicContact CG2-CB 4.03Å
1126K94.8Very high91.4Very high138 Ų13851.1 Ų51.160%0.626%0.255SS*.Hα-helixtrans-61-44.1178.3-74.6169.1-176.1172.80110.8M1122 T1123 V1124 R1129 S1130M1122-K1126 VanDerWaalsContact O-CG 3.28Å; M1122-K1126 WeakPolarHBondContact O-CG 3.46Å; M1122-K1126 PolarHBondContact O-N 3.29Å; T1123-K1126 PolarHBondContact O-N 3.07Å; V1124-K1126 PolarHBondContact O-N 3.28Å; K1126-R1129 PolarHBondContact O-N 3.38Å; K1126-S1130 WeakPolarHBondContact O-CB 3.35Å; K1126-S1130 PolarHBondContact O-N 3.42Å
1127T92.7Very high90.8Very high25 Ų2544.7 Ų44.715%0.15323%0.232CC..Hα-helixtrans-62-46.3176.9-57.50000111.7T1123 V1124 V1125 R1129 S1130 L1131 A1189 A1191 V1197T1123-T1127 PolarHBondContact O-N 3.15Å; T1123-T1127 PolarHBondContact O-OG1 2.91Å; T1123-T1127 VanDerWaalsContact O-OG1 3.13Å; V1124-T1127 PolarHBondContact O-N 2.85Å; V1125-T1127 VanDerWaalsContact C-N 3.34Å; T1127-R1129 PolarHBondContact O-N 3.38Å; T1127-S1130 PolarHBondContact O-N 3.13Å; T1127-L1131 WeakPolarHBondContact O-CB 3.36Å; T1127-L1131 PolarHBondContact O-N 2.82Å; T1127-A1189 HydrophobicContact CG2-CB 3.58Å; T1127-A1191 HydrophobicContact CG2-CB 4.09Å; T1127-V1197 HydrophobicContact CG2-CB 4.17Å; T1127-V1197 HydrophobicContact CG2-CG2 3.94Å
1128I94.4Very high90Very high0 Ų049.7 Ų49.70%026%0.263CS..Hα-helixtrans-61.6-45.9176.2-61.7161.9000110.7V1124 V1125 S1130 L1131 R1132 C1144 L1146 I1164 V1197 L1199V1124-I1128 HydrophobicContact CG1-CD1 3.81Å; V1124-I1128 HydrophobicContact CG1-CG1 4.37Å; V1124-I1128 VanDerWaalsContact O-CG1 3.29Å; V1124-I1128 WeakPolarHBondContact O-CG1 3.43Å; V1124-I1128 PolarHBondContact O-N 2.92Å; V1125-I1128 PolarHBondContact O-N 3.41Å; I1128-S1130 VanDerWaalsContact C-N 3.34Å; I1128-S1130 PolarHBondContact O-N 3.45Å; I1128-L1131 PolarHBondContact O-N 2.96Å; I1128-R1132 HydrophobicContact CG2-CG 4.21Å; I1128-R1132 WeakPolarHBondContact O-CB 3.26Å; I1128-R1132 WeakPolarHBondContact O-CG 3.38Å; I1128-R1132 PolarHBondContact O-N 3.42Å; I1128-C1144 VanDerWaalsContact CD1-SG 3.55Å; I1128-L1146 HydrophobicContact CD1-CD2 4.44Å; I1128-I1164 HydrophobicContact CD1-CG2 3.69Å; I1128-V1197 HydrophobicContact CG1-CB 4.49Å; I1128-V1197 HydrophobicContact CG1-CG1 3.58Å; I1128-V1197 HydrophobicContact CG1-CG2 4.02Å; I1128-L1199 HydrophobicContact CG2-CD1 4.32Å
1129R93.5Very high89.3Confident113 Ų11357.7 Ų57.743%0.42630%0.298SS..Hα-helixtrans-62-40.8178.8-76.2178.3173.8175.8-1.5112V1125 K1126 T1127 R1132 A1133 L1167V1125-R1129 HydrophobicContact CG1-CG 4.34Å; V1125-R1129 WeakPolarHBondContact O-CB 3.45Å; V1125-R1129 WeakPolarHBondContact O-CG 3.03Å; V1125-R1129 PolarHBondContact O-N 3.37Å; K1126-R1129 PolarHBondContact O-N 3.38Å; T1127-R1129 PolarHBondContact O-N 3.38Å; R1129-R1132 PolarHBondContact O-N 2.67Å; R1129-A1133 WeakPolarHBondContact O-CB 3.36Å; R1129-A1133 PolarHBondContact O-N 2.79Å; R1129-L1167 PolarHBondContact NE-O 2.83Å; R1129-L1167 PolarHBondContact NH2-O 3.02Å
1130S89Confident88.9Confident67 Ų6754.4 Ų54.447%0.46929%0.287SS..Hα-helixtrans-60.9-50174.9-167.90000110.5K1126 T1127 I1128 R1132 A1133 D1134K1126-S1130 WeakPolarHBondContact O-CB 3.35Å; K1126-S1130 PolarHBondContact O-N 3.42Å; T1127-S1130 PolarHBondContact O-N 3.13Å; I1128-S1130 VanDerWaalsContact C-N 3.34Å; I1128-S1130 PolarHBondContact O-N 3.45Å; S1130-R1132 VanDerWaalsContact C-N 3.32Å; S1130-R1132 PolarHBondContact O-N 3.08Å; S1130-A1133 WeakPolarHBondContact O-CA 3.45Å; S1130-A1133 WeakPolarHBondContact O-CB 3.48Å; S1130-A1133 PolarHBondContact O-N 3.03Å; S1130-D1134 PolarHBondContact O-N 3.27Å
1131L86.5Confident88.5Confident11 Ų1158.6 Ų58.66%0.05830%0.301CS..Hα-helixtrans-60.1-43.5179.3-163.362.1000111.2T1127 I1128 A1133 D1134 Y1135 A1187 A1189 V1197 L1199T1127-L1131 WeakPolarHBondContact O-CB 3.36Å; T1127-L1131 PolarHBondContact O-N 2.82Å; I1128-L1131 PolarHBondContact O-N 2.96Å; L1131-A1133 VanDerWaalsContact C-N 3.3Å; L1131-A1133 PolarHBondContact O-N 3.37Å; L1131-D1134 PolarHBondContact O-N 3.23Å; L1131-Y1135 HydrophobicContact CD1-CD2 4.19Å; L1131-Y1135 HydrophobicContact CD1-CE2 3.64Å; L1131-Y1135 HydrophobicContact CG-CD2 4.21Å; L1131-Y1135 HydrophobicContact CG-CE2 4.07Å; L1131-Y1135 WeakPolarHBondContact O-CD2 3.34Å; L1131-Y1135 PolarHBondContact O-N 3.05Å; L1131-A1187 HydrophobicContact CD1-CB 4.2Å; L1131-A1187 HydrophobicContact CD2-CB 4.11Å; L1131-A1187 HydrophobicContact CG-CB 4.28Å; L1131-A1189 HydrophobicContact CD1-CB 4.1Å; L1131-A1189 HydrophobicContact CD2-CB 4.1Å; L1131-V1197 HydrophobicContact CD2-CG1 4.19Å; L1131-L1199 HydrophobicContact CD2-CB 3.62Å; L1131-L1199 HydrophobicContact CD2-CD2 4.26Å; L1131-L1199 HydrophobicContact CG-CB 4.46Å; L1131-L1199 HydrophobicContact CG-CD2 4.25Å
1132R89.7Confident88.2Confident13 Ų1358.5 Ų58.55%0.04930%0.301CS..Hα-helixtrans-59.6-39.2173.9-71.6173.163.573.512.7112.6I1128 R1129 S1130 Y1135 N1136 L1137 T1140 S1168 Y1169 L1199I1128-R1132 HydrophobicContact CG2-CG 4.21Å; I1128-R1132 WeakPolarHBondContact O-CB 3.26Å; I1128-R1132 WeakPolarHBondContact O-CG 3.38Å; I1128-R1132 PolarHBondContact O-N 3.42Å; R1129-R1132 PolarHBondContact O-N 2.67Å; S1130-R1132 VanDerWaalsContact C-N 3.32Å; S1130-R1132 PolarHBondContact O-N 3.08Å; R1132-Y1135 CarbonylContact O-C 3.59Å; R1132-Y1135 PolarHBondContact O-N 3.02Å; R1132-N1136 PolarHBondContact O-N 2.88Å; R1132-N1136 VanDerWaalsContact O-N 3.13Å; R1132-L1137 HydrophobicContact CB-CB 4.17Å; R1132-L1137 HydrophobicContact CG-CB 4.44Å; R1132-L1137 PolarHBondContact NH2-O 2.98Å; R1132-L1137 PolarHBondContact O-N 3.34Å; R1132-T1140 PolarHBondContact NH1-O 3.14Å; R1132-T1140 PolarHBondContact NH2-O 3.21Å; R1132-S1168 WeakPolarHBondContact CD-O 3.5Å; R1132-S1168 PolarHBondContact NE-O 3.43Å; R1132-Y1169 PolarHBondContact NH1-O 2.98Å; R1132-L1199 HydrophobicContact CG-CD2 3.7Å
1133A85.9Confident88.1Confident66 Ų6659.4 Ų59.455%0.54531%0.306SS..Hα-helixtrans-66.7-42177.400000111.5R1129 S1130 L1131 Y1135 N1136R1129-A1133 WeakPolarHBondContact O-CB 3.36Å; R1129-A1133 PolarHBondContact O-N 2.79Å; S1130-A1133 WeakPolarHBondContact O-CA 3.45Å; S1130-A1133 WeakPolarHBondContact O-CB 3.48Å; S1130-A1133 PolarHBondContact O-N 3.03Å; L1131-A1133 VanDerWaalsContact C-N 3.3Å; L1131-A1133 PolarHBondContact O-N 3.37Å; A1133-Y1135 PolarHBondContact O-N 3.34Å; A1133-N1136 PolarHBondContact O-N 3.12Å
1134D80.5Confident88.1Confident100 Ų10057 Ų5754%0.53529%0.292SS..Hα-helixtrans-58.7-36.5177.1-64.9-30.8000111.7S1130 L1131S1130-D1134 PolarHBondContact O-N 3.27Å; L1131-D1134 PolarHBondContact O-N 3.23Å
1135Y79.6Confident88Confident34 Ų3458.8 Ų58.813%0.13330%0.299CS..THydrogen-bonded Turntrans-94.411.5177.1-65.3-75000114.5L1131 R1132 A1133 L1137 A1187 L1201 F1270L1131-Y1135 HydrophobicContact CD1-CD2 4.19Å; L1131-Y1135 HydrophobicContact CD1-CE2 3.64Å; L1131-Y1135 HydrophobicContact CG-CD2 4.21Å; L1131-Y1135 HydrophobicContact CG-CE2 4.07Å; L1131-Y1135 WeakPolarHBondContact O-CD2 3.34Å; L1131-Y1135 PolarHBondContact O-N 3.05Å; R1132-Y1135 CarbonylContact O-C 3.59Å; R1132-Y1135 PolarHBondContact O-N 3.02Å; A1133-Y1135 PolarHBondContact O-N 3.34Å; Y1135-L1137 PolarHBondContact O-N 2.78Å; Y1135-L1137 VanDerWaalsContact O-N 3.15Å; Y1135-A1187 HydrophobicContact CD2-CB 4.11Å; Y1135-A1187 HydrophobicContact CE2-CB 3.3Å; Y1135-A1187 WeakPolarHBondContact OH-CB 3.4Å; Y1135-L1201 HydrophobicContact CD1-CD1 3.53Å; Y1135-L1201 HydrophobicContact CD2-CD1 3.84Å; Y1135-L1201 HydrophobicContact CE1-CD1 3.55Å; Y1135-L1201 HydrophobicContact CE2-CD1 3.91Å; Y1135-L1201 HydrophobicContact CG-CD1 3.69Å; Y1135-L1201 HydrophobicContact CG-CD2 4.44Å; Y1135-F1270 AromaticContact CD1-CE1 3.94Å; Y1135-F1270 HydrophobicContact CD1-CE1 3.94Å; Y1135-F1270 HydrophobicContact CD1-CE2 4.09Å; Y1135-F1270 AromaticContact CD1-CZ 3.49Å; Y1135-F1270 HydrophobicContact CD1-CZ 3.49Å; Y1135-F1270 VanDerWaalsContact CD1-CZ 3.49Å; Y1135-F1270 HydrophobicContact CE1-CE1 4.23Å; Y1135-F1270 HydrophobicContact CE1-CE2 4.38Å; Y1135-F1270 HydrophobicContact CE1-CZ 4.03Å
1136N78.6Confident88Confident96 Ų9658.7 Ų58.751%0.51330%0.298SS..THydrogen-bonded Turntrans54.527.5-179.3-63.8-72.5000115.1R1132 A1133 T1138R1132-N1136 PolarHBondContact O-N 2.88Å; R1132-N1136 VanDerWaalsContact O-N 3.13Å; A1133-N1136 PolarHBondContact O-N 3.12Å; N1136-T1138 VanDerWaalsContact C-N 3.32Å; N1136-T1138 PolarHBondContact O-N 3.16Å
1137L83.4Confident87.8Confident13 Ų1354.9 Ų54.97%0.06828%0.283CS..  trans-78.678.1177.1-64.3176.9000110.7R1132 Y1135 L1199 L1201 I1205R1132-L1137 HydrophobicContact CB-CB 4.17Å; R1132-L1137 HydrophobicContact CG-CB 4.44Å; R1132-L1137 PolarHBondContact NH2-O 2.98Å; R1132-L1137 PolarHBondContact O-N 3.34Å; Y1135-L1137 PolarHBondContact O-N 2.78Å; Y1135-L1137 VanDerWaalsContact O-N 3.15Å; L1137-L1199 HydrophobicContact CD1-CD2 3.95Å; L1137-L1201 HydrophobicContact CD1-CD2 3.68Å; L1137-I1205 HydrophobicContact CD2-CD1 4.03Å; L1137-I1205 HydrophobicContact CD2-CG1 4.01Å; L1137-I1205 HydrophobicContact CG-CD1 4.42Å
1138T79.2Confident87.8Confident118 Ų11853.8 Ų53.872%0.72428%0.276SS*.SBendtrans-81.8-38.6-176530000113.9N1136N1136-T1138 VanDerWaalsContact C-N 3.32Å; N1136-T1138 PolarHBondContact O-N 3.16Å
1139K80.9Confident87.5Confident169 Ų16958.6 Ų58.674%0.73530%0.301SS*.SBendtrans-130.1-9.6-177.1-64.1-173.3-179.9-176.70114.6Y1169K1139-Y1169 WeakPolarHBondContact O-CE1 3.43Å
1140T85.2Confident87.2Confident64 Ų6456.1 Ų56.139%0.39330%0.296SS..  trans-83.1122.4177.7-48.40000109R1132 L1204R1132-T1140 PolarHBondContact NH1-O 3.14Å; R1132-T1140 PolarHBondContact NH2-O 3.21Å; T1140-L1204 HydrophobicContact CG2-CB 4.45Å; T1140-L1204 HydrophobicContact CG2-CD2 4.11Å
1141R87.9Confident87.3Confident120 Ų12056.1 Ų56.145%0.45330%0.3SS..  trans-78.2144.2172.8-67-172.2179.91750.5108.8Y1169 Q1171R1141-Y1169 HydrophobicContact CG-CD1 3.88Å; R1141-Y1169 HydrophobicContact CG-CE1 3.64Å; R1141-Q1171 HydrophobicContact CB-CB 3.85Å
1142A88.9Confident87.5Confident1 Ų159 Ų591%0.00833%0.325CS..  trans-135.3147.3-179.100000109.4S1170 Q1171 L1199 L1204A1142-S1170 WeakPolarHBondContact O-CA 3.24Å; A1142-Q1171 PolarHBondContact O-N 3.26Å; A1142-L1199 HydrophobicContact CB-CD1 3.78Å; A1142-L1199 HydrophobicContact CB-CG 4.2Å; A1142-L1204 HydrophobicContact CB-CD1 3.51Å
1143D92.6Very high87.6Confident48 Ų4858.3 Ų58.326%0.25732%0.323SS..  trans-70.5138.8173.5-66.6-32.7000109.9Y1145 Q1171 A1172 M1200D1143-Y1145 HydrophobicContact CB-CE2 3.86Å; D1143-Q1171 VanDerWaalsContact OD1-CB 3.3Å; D1143-Q1171 WeakPolarHBondContact OD1-CB 3.31Å; D1143-Q1171 VanDerWaalsContact OD1-CG 3.29Å; D1143-Q1171 WeakPolarHBondContact OD1-CG 3.31Å; D1143-A1172 WeakPolarHBondContact OD1-CB 3.48Å; D1143-A1172 PolarHBondContact OD1-N 3.15Å; D1143-M1200 HydrophobicContact CB-CB 4.15Å; D1143-M1200 WeakPolarHBondContact O-CB 3.47Å; D1143-M1200 PolarHBondContact O-N 3.24Å
1144C94.6Very high88Confident0 Ų056.4 Ų56.40%030%0.304CS..EExtended strand (participates in β ladder)trans-122.4120.2-179.3-172.50000109.4I1128 A1172 V1173 I1174 L1199I1128-C1144 VanDerWaalsContact CD1-SG 3.55Å; C1144-A1172 PolarHBondContact N-O 2.98Å; C1144-V1173 HydrophobicContact CB-CG2 4.44Å; C1144-V1173 CarbonylContact O-C 3.59Å; C1144-V1173 WeakPolarHBondContact O-CA 3.3Å; C1144-I1174 PolarHBondContact O-N 3.18Å; C1144-L1199 HydrophobicContact CB-CD1 4.29Å
1145Y94.6Very high88.6Confident37 Ų3755.5 Ų55.515%0.14531%0.305CS..EExtended strand (participates in β ladder)trans-103.7122.4177.2-58.1-92.9000109D1143 I1174 L1176 P1183 N1198 M1200D1143-Y1145 HydrophobicContact CB-CE2 3.86Å; Y1145-I1174 CarbonylContact C-O 3.58Å; Y1145-I1174 WeakPolarHBondContact CA-O 3.39Å; Y1145-I1174 HydrophobicContact CD1-CB 3.83Å; Y1145-I1174 HydrophobicContact CD1-CD1 3.96Å; Y1145-I1174 HydrophobicContact CD1-CG1 4.47Å; Y1145-I1174 HydrophobicContact CD1-CG2 4.03Å; Y1145-I1174 HydrophobicContact CE1-CB 4.16Å; Y1145-I1174 HydrophobicContact CE1-CD1 3.38Å; Y1145-I1174 HydrophobicContact CE1-CG1 4.34Å; Y1145-I1174 HydrophobicContact CE1-CG2 4.31Å; Y1145-L1176 HydrophobicContact CD1-CD1 4.02Å; Y1145-L1176 HydrophobicContact CG-CD1 4.41Å; Y1145-P1183 HydrophobicContact CD1-CG 4.14Å; Y1145-P1183 HydrophobicContact CD2-CG 4.29Å; Y1145-P1183 HydrophobicContact CE1-CG 3.73Å; Y1145-P1183 HydrophobicContact CE2-CB 4.44Å; Y1145-P1183 HydrophobicContact CE2-CG 3.93Å; Y1145-P1183 HydrophobicContact CG-CG 4.41Å; Y1145-N1198 PolarHBondContact N-O 3.34Å; Y1145-N1198 WeakPolarHBondContact O-CB 2.98Å; Y1145-N1198 PolarHBondContact O-N 3.46Å; Y1145-N1198 PolarHBondContact O-ND2 3.17Å; Y1145-M1200 HydrophobicContact CE2-CB 4.29Å; Y1145-M1200 HydrophobicContact CE2-CE 4.16Å
1146L95.1Very high89.3Confident0 Ų054.9 Ų54.90%030%0.304CS..EExtended strand (participates in β ladder)trans-10498.7-176.3-55.6-179.1000109V1124 I1128 C1148 L1157 I1164 V1173 I1174 L1176 V1197V1124-L1146 HydrophobicContact CG1-CD1 3.98Å; V1124-L1146 HydrophobicContact CG1-CD2 3.7Å; I1128-L1146 HydrophobicContact CD1-CD2 4.44Å; L1146-C1148 PolarHBondContact O-N 3.05Å; L1146-C1148 PolarHBondContact O-SG 3.45Å; L1146-L1157 HydrophobicContact CB-CD1 4.21Å; L1146-L1157 HydrophobicContact CD1-CB 4.23Å; L1146-L1157 HydrophobicContact CD1-CD1 3.98Å; L1146-L1157 HydrophobicContact CD1-CD2 4.3Å; L1146-L1157 HydrophobicContact CD1-CG 4.41Å; L1146-I1164 HydrophobicContact CD1-CD1 4.32Å; L1146-V1173 HydrophobicContact CD1-CG1 3.47Å; L1146-V1173 VanDerWaalsContact CD1-CG1 3.47Å; L1146-V1173 HydrophobicContact CG-CG1 4.02Å; L1146-I1174 PolarHBondContact N-O 2.82Å; L1146-L1176 PolarHBondContact O-N 3.08Å; L1146-V1197 HydrophobicContact CD2-CG2 3.88Å
1147Q91.9Very high90.1Very high58 Ų5850.3 Ų50.327%0.27128%0.28SS..EExtended strand (participates in β ladder)trans-80.3115.9179.8-167.4175.33000109.5A1178 V1182 C1195 T1196Q1147-A1178 PolarHBondContact NE2-O 2.95Å; Q1147-V1182 HydrophobicContact CB-CG2 4.31Å; Q1147-V1182 HydrophobicContact CG-CG2 4.4Å; Q1147-C1195 WeakPolarHBondContact O-CA 3.4Å; Q1147-T1196 PolarHBondContact N-O 2.95Å; Q1147-T1196 PolarHBondContact O-N 2.83Å
1148C92.1Very high90.6Very high2 Ų254.8 Ų54.81%0.01430%0.3CS..EExtended strand (participates in β ladder)trans-109.8145.2-171.6-55.40000111.1L1146 D1150 T1153 V1154 L1157 L1176 T1177 A1178 R1194L1146-C1148 PolarHBondContact O-N 3.05Å; L1146-C1148 PolarHBondContact O-SG 3.45Å; C1148-D1150 VanDerWaalsContact C-N 3.34Å; C1148-D1150 PolarHBondContact O-N 2.94Å; C1148-T1153 HydrophobicContact CB-CG2 3.93Å; C1148-V1154 HydrophobicContact CB-CG2 3.57Å; C1148-L1157 VanDerWaalsContact SG-CD1 3.54Å; C1148-L1176 WeakPolarHBondContact CB-O 3.43Å; C1148-L1176 PolarHBondContact N-O 2.81Å; C1148-T1177 CarbonylContact O-C 3.51Å; C1148-A1178 PolarHBondContact O-N 3.24Å; C1148-R1194 WeakPolarHBondContact CA-O 3.47Å
1149I88.3Confident91.4Very high101 Ų10153.8 Ų53.852%0.51829%0.286SS..SBendtrans-74.2-23-178.767.5168000113.8D1193 R1194I1149-D1193 WeakPolarHBondContact CG2-O 3.42Å; I1149-R1194 HydrophobicContact CD1-CB 4.21Å; I1149-R1194 HydrophobicContact CD1-CG 3.76Å; I1149-R1194 HydrophobicContact CG1-CB 4.21Å; I1149-R1194 HydrophobicContact CG1-CG 4.25Å; I1149-R1194 PolarHBondContact N-O 3.02Å; I1149-R1194 VanDerWaalsContact N-O 3.13Å
1150D87.4Confident92Very high60 Ų6045.8 Ų45.832%0.32125%0.251SS..SBendtrans-148.7163.7-175.365.255.9000112.9C1148 A1152 T1153 V1154C1148-D1150 VanDerWaalsContact C-N 3.34Å; C1148-D1150 PolarHBondContact O-N 2.94Å; D1150-A1152 VanDerWaalsContact C-N 3.32Å; D1150-A1152 PolarHBondContact O-N 3.02Å; D1150-A1152 WeakPolarHBondContact OD1-CA 3.41Å; D1150-A1152 WeakPolarHBondContact OD1-CB 3.36Å; D1150-A1152 PolarHBondContact OD1-N 3.17Å; D1150-T1153 VanDerWaalsContact CG-OG1 3.26Å; D1150-T1153 PolarHBondContact O-N 2.92Å; D1150-T1153 WeakPolarHBondContact OD1-CB 3.4Å; D1150-T1153 PolarHBondContact OD1-N 3.38Å; D1150-T1153 PolarHBondContact OD1-OG1 3.4Å; D1150-T1153 PolarHBondContact OD2-OG1 3.44Å; D1150-V1154 PolarHBondContact O-N 2.94Å
1151A90.4Very high92.4Very high68 Ų6844.1 Ų44.156%0.56224%0.242SC*.Hα-helixtrans-68.3-25.7-178.200000114.1S1155A1151-S1155 WeakPolarHBondContact O-CB 3.15Å; A1151-S1155 PolarHBondContact O-N 3.41Å; A1151-S1155 PolarHBondContact O-OG 3.05Å
1152A91.4Very high92.6Very high70 Ų7039.9 Ų39.958%0.57923%0.229SC*.Hα-helixtrans-70-40.5177.500000110.7D1150 S1155 L1156D1150-A1152 VanDerWaalsContact C-N 3.32Å; D1150-A1152 PolarHBondContact O-N 3.02Å; D1150-A1152 WeakPolarHBondContact OD1-CA 3.41Å; D1150-A1152 WeakPolarHBondContact OD1-CB 3.36Å; D1150-A1152 PolarHBondContact OD1-N 3.17Å; A1152-S1155 PolarHBondContact O-N 3.33Å; A1152-L1156 WeakPolarHBondContact O-CB 3.3Å; A1152-L1156 PolarHBondContact O-N 2.77Å
1153T91.5Very high92.9Very high0 Ų040.4 Ų40.40%023%0.231CC..Hα-helixtrans-65.4-42.2175.1-53.20000111.3F1120 C1148 D1150 L1156 L1157 R1194F1120-T1153 HydrophobicContact CE1-CG2 4.1Å; F1120-T1153 HydrophobicContact CZ-CG2 4.23Å; C1148-T1153 HydrophobicContact CB-CG2 3.93Å; D1150-T1153 VanDerWaalsContact CG-OG1 3.26Å; D1150-T1153 PolarHBondContact O-N 2.92Å; D1150-T1153 WeakPolarHBondContact OD1-CB 3.4Å; D1150-T1153 PolarHBondContact OD1-N 3.38Å; D1150-T1153 PolarHBondContact OD1-OG1 3.4Å; D1150-T1153 PolarHBondContact OD2-OG1 3.44Å; T1153-L1156 PolarHBondContact O-N 3.29Å; T1153-L1157 HydrophobicContact CG2-CD1 4.06Å; T1153-L1157 WeakPolarHBondContact O-CG 3.49Å; T1153-L1157 PolarHBondContact O-N 3.11Å; T1153-R1194 HydrophobicContact CG2-CB 4.31Å; T1153-R1194 PolarHBondContact OG1-NE 2.93Å; T1153-R1194 VanDerWaalsContact OG1-NE 3.15Å; T1153-R1194 PolarHBondContact OG1-NH2 3.22Å
1154V93.4Very high93.1Very high25 Ų2538.1 Ų38.115%0.15222%0.219CC..Hα-helixtrans-57.2-50.7172.7171.80000110.3C1148 D1150 L1156 L1157 Q1158 P1175 T1177C1148-V1154 HydrophobicContact CB-CG2 3.57Å; D1150-V1154 PolarHBondContact O-N 2.94Å; V1154-L1156 VanDerWaalsContact C-N 3.33Å; V1154-L1156 PolarHBondContact O-N 3.48Å; V1154-L1157 PolarHBondContact O-N 3.04Å; V1154-Q1158 VanDerWaalsContact O-CB 3.27Å; V1154-Q1158 WeakPolarHBondContact O-CB 3.42Å; V1154-Q1158 PolarHBondContact O-N 3.46Å; V1154-P1175 HydrophobicContact CG1-CB 4Å; V1154-T1177 HydrophobicContact CG2-CG2 4.06Å
1155S94.4Very high93.1Very high81 Ų8140.6 Ų40.657%0.56623%0.23SC*.Hα-helixtrans-62.2-38.9-178.6-62.70000112.2A1151 A1152 K1159A1151-S1155 WeakPolarHBondContact O-CB 3.15Å; A1151-S1155 PolarHBondContact O-N 3.41Å; A1151-S1155 PolarHBondContact O-OG 3.05Å; A1152-S1155 PolarHBondContact O-N 3.33Å; S1155-K1159 WeakPolarHBondContact O-CB 3.24Å; S1155-K1159 PolarHBondContact O-N 2.78Å
1156L94.2Very high93Very high21 Ų2140.6 Ų40.611%0.1123%0.234CC..Hα-helixtrans-64.6-51.1174.1-178.9131.8000111.9D1117 F1120 A1152 T1153 V1154 Q1158 K1159 Y1160D1117-L1156 HydrophobicContact CB-CD1 3.74Å; D1117-L1156 HydrophobicContact CB-CG 4.49Å; D1117-L1156 WeakPolarHBondContact OD1-CD1 3.27Å; D1117-L1156 WeakPolarHBondContact OD2-CD1 3.42Å; F1120-L1156 HydrophobicContact CD1-CD2 3.41Å; F1120-L1156 VanDerWaalsContact CD1-CD2 3.41Å; F1120-L1156 HydrophobicContact CE1-CD2 3.94Å; F1120-L1156 HydrophobicContact CG-CD2 4.41Å; A1152-L1156 WeakPolarHBondContact O-CB 3.3Å; A1152-L1156 PolarHBondContact O-N 2.77Å; T1153-L1156 PolarHBondContact O-N 3.29Å; V1154-L1156 VanDerWaalsContact C-N 3.33Å; V1154-L1156 PolarHBondContact O-N 3.48Å; L1156-Q1158 VanDerWaalsContact C-N 3.27Å; L1156-Q1158 PolarHBondContact O-N 3.09Å; L1156-K1159 WeakPolarHBondContact O-CB 3.49Å; L1156-K1159 PolarHBondContact O-N 3.22Å; L1156-K1159 VanDerWaalsContact O-N 3.14Å; L1156-Y1160 HydrophobicContact CG-CD2 4.46Å; L1156-Y1160 WeakPolarHBondContact O-CD2 3.42Å; L1156-Y1160 PolarHBondContact O-N 3.36Å; L1156-Y1160 VanDerWaalsContact O-N 3.11Å
1157L94.8Very high93Very high0 Ų040.8 Ų40.80%024%0.235CC..Hα-helixtrans-67.4-29.8179.5-68.5171.4000112.4F1120 V1124 L1146 C1148 T1153 V1154 Y1160 S1161 I1164 P1175 C1195F1120-L1157 HydrophobicContact CD1-CD2 4.03Å; F1120-L1157 HydrophobicContact CE1-CD1 4.18Å; F1120-L1157 HydrophobicContact CE1-CD2 3.81Å; F1120-L1157 HydrophobicContact CE1-CG 4.08Å; V1124-L1157 HydrophobicContact CG2-CD2 4.03Å; L1146-L1157 HydrophobicContact CB-CD1 4.21Å; L1146-L1157 HydrophobicContact CD1-CB 4.23Å; L1146-L1157 HydrophobicContact CD1-CD1 3.98Å; L1146-L1157 HydrophobicContact CD1-CD2 4.3Å; L1146-L1157 HydrophobicContact CD1-CG 4.41Å; C1148-L1157 VanDerWaalsContact SG-CD1 3.54Å; T1153-L1157 HydrophobicContact CG2-CD1 4.06Å; T1153-L1157 WeakPolarHBondContact O-CG 3.49Å; T1153-L1157 PolarHBondContact O-N 3.11Å; V1154-L1157 PolarHBondContact O-N 3.04Å; L1157-Y1160 CarbonylContact O-C 3.54Å; L1157-Y1160 PolarHBondContact O-N 2.8Å; L1157-S1161 WeakPolarHBondContact O-CA 3.25Å; L1157-S1161 PolarHBondContact O-N 3.45Å; L1157-I1164 HydrophobicContact CD2-CD1 3.61Å; L1157-P1175 HydrophobicContact CB-CB 4.35Å; L1157-P1175 HydrophobicContact CB-CG 4.02Å; L1157-C1195 HydrophobicContact CD1-CB 4.3Å
1158Q94.5Very high93.1Very high107 Ų10738.1 Ų38.150%0.522%0.223SC..Hα-helixtrans-63.1-46.1171.2-165.872.719.300110.8V1154 L1156 Y1160 S1161 P1175V1154-Q1158 VanDerWaalsContact O-CB 3.27Å; V1154-Q1158 WeakPolarHBondContact O-CB 3.42Å; V1154-Q1158 PolarHBondContact O-N 3.46Å; L1156-Q1158 VanDerWaalsContact C-N 3.27Å; L1156-Q1158 PolarHBondContact O-N 3.09Å; Q1158-Y1160 VanDerWaalsContact C-N 3.28Å; Q1158-Y1160 PolarHBondContact O-N 2.85Å; Q1158-S1161 VanDerWaalsContact O-CB 3.27Å; Q1158-S1161 WeakPolarHBondContact O-CB 3.22Å; Q1158-S1161 PolarHBondContact O-N 3.49Å; Q1158-S1161 PolarHBondContact O-OG 3.39Å; Q1158-P1175 HydrophobicContact CB-CG 4.4Å; Q1158-P1175 VanDerWaalsContact OE1-CD 3.23Å; Q1158-P1175 VanDerWaalsContact OE1-CG 3.32Å
1159K94.4Very high93.1Very high98 Ų9842.7 Ų42.743%0.42624%0.24SC..Hα-helixtrans-59.6-34.5176.9174.2-178.9174.8-1700112.8V986 S1155 L1156V986-K1159 HydrophobicContact CG1-CD 4.12Å; V986-K1159 HydrophobicContact CG1-CG 3.76Å; S1155-K1159 WeakPolarHBondContact O-CB 3.24Å; S1155-K1159 PolarHBondContact O-N 2.78Å; L1156-K1159 WeakPolarHBondContact O-CB 3.49Å; L1156-K1159 PolarHBondContact O-N 3.22Å; L1156-K1159 VanDerWaalsContact O-N 3.14Å
1160Y95.1Very high93.3Very high0 Ų038 Ų380%022%0.216CC..THydrogen-bonded Turntrans-101.210.9178.9-71.5-94.8000114.3V986 D1117 M1118 A1121 L1156 L1157 Q1158 L1162 Q1163 I1164V986-Y1160 HydrophobicContact CB-CD1 4.5Å; V986-Y1160 HydrophobicContact CB-CE1 3.96Å; V986-Y1160 HydrophobicContact CG2-CD1 4Å; V986-Y1160 HydrophobicContact CG2-CE1 3.95Å; D1117-Y1160 HydrophobicContact CB-CE2 3.72Å; D1117-Y1160 WeakPolarHBondContact CB-OH 3.47Å; M1118-Y1160 HydrophobicContact CB-CE1 4.01Å; M1118-Y1160 HydrophobicContact CG-CE1 4.44Å; M1118-Y1160 HydrophobicContact SD-CD1 3.65Å; M1118-Y1160 HydrophobicContact SD-CE1 3.66Å; A1121-Y1160 HydrophobicContact CB-CD1 4.24Å; A1121-Y1160 HydrophobicContact CB-CG 4.16Å; L1156-Y1160 HydrophobicContact CG-CD2 4.46Å; L1156-Y1160 WeakPolarHBondContact O-CD2 3.42Å; L1156-Y1160 PolarHBondContact O-N 3.36Å; L1156-Y1160 VanDerWaalsContact O-N 3.11Å; L1157-Y1160 CarbonylContact O-C 3.54Å; L1157-Y1160 PolarHBondContact O-N 2.8Å; Q1158-Y1160 VanDerWaalsContact C-N 3.28Å; Q1158-Y1160 PolarHBondContact O-N 2.85Å; Y1160-L1162 VanDerWaalsContact C-N 3.32Å; Y1160-L1162 PolarHBondContact O-N 3.11Å; Y1160-Q1163 PolarHBondContact O-N 3.31Å; Y1160-Q1163 VanDerWaalsContact O-N 3.14Å; Y1160-Q1163 PolarHBondContact O-OE1 2.88Å; Y1160-I1164 WeakPolarHBondContact O-CG1 3.44Å; Y1160-I1164 PolarHBondContact O-N 2.99Å
1161S93.4Very high93.5Very high30 Ų3040.4 Ų40.421%0.2123%0.226CC..Hα-helixtrans-58.1-39.7-172.455.60000113.3L1157 Q1158 Q1163 I1164 Q1165L1157-S1161 WeakPolarHBondContact O-CA 3.25Å; L1157-S1161 PolarHBondContact O-N 3.45Å; Q1158-S1161 VanDerWaalsContact O-CB 3.27Å; Q1158-S1161 WeakPolarHBondContact O-CB 3.22Å; Q1158-S1161 PolarHBondContact O-N 3.49Å; Q1158-S1161 PolarHBondContact O-OG 3.39Å; S1161-Q1163 PolarHBondContact O-N 3.42Å; S1161-I1164 PolarHBondContact O-N 2.68Å; S1161-Q1165 WeakPolarHBondContact O-CB 3.41Å; S1161-Q1165 PolarHBondContact O-N 2.94Å
1162L92.1Very high93.6Very high31 Ų3138.6 Ų38.616%0.16221%0.211CC..Hα-helixtrans-62.2-44.5177.9179.963.2000111.8P1036 V1037 Y1160 T1166P1036-L1162 HydrophobicContact CB-CD1 4.36Å; V1037-L1162 HydrophobicContact CG2-CD2 4.31Å; Y1160-L1162 VanDerWaalsContact C-N 3.32Å; Y1160-L1162 PolarHBondContact O-N 3.11Å; L1162-T1166 VanDerWaalsContact O-CB 3.29Å; L1162-T1166 WeakPolarHBondContact O-CB 3.42Å; L1162-T1166 PolarHBondContact O-N 3.07Å; L1162-T1166 PolarHBondContact O-OG1 2.98Å
1163Q94.6Very high93.7Very high12 Ų1236 Ų366%0.05619%0.188CC..Hα-helixtrans-66.1-45.9178.7-66.971.126.800110A987 M1118 Y1160 S1161 Q1165 T1166 L1167A987-Q1163 HydrophobicContact CB-CG 4.29Å; M1118-Q1163 HydrophobicContact CE-CB 4.44Å; M1118-Q1163 HydrophobicContact CE-CG 4.31Å; Y1160-Q1163 PolarHBondContact O-N 3.31Å; Y1160-Q1163 VanDerWaalsContact O-N 3.14Å; Y1160-Q1163 PolarHBondContact O-OE1 2.88Å; S1161-Q1163 PolarHBondContact O-N 3.42Å; Q1163-Q1165 PolarHBondContact O-N 2.77Å; Q1163-T1166 PolarHBondContact O-N 3.03Å; Q1163-L1167 VanDerWaalsContact O-CB 3.31Å; Q1163-L1167 WeakPolarHBondContact O-CB 3.47Å; Q1163-L1167 VanDerWaalsContact O-CG 3.27Å; Q1163-L1167 WeakPolarHBondContact O-CG 3.22Å; Q1163-L1167 PolarHBondContact O-N 3.47Å
1164I95.9Very high93.9Very high0 Ų039 Ų390%020%0.203CC..Hα-helixtrans-60.7-49178.1-62.2166.8000110.1A1121 V1124 V1125 I1128 L1146 L1157 Y1160 S1161 T1166 S1168 V1173A1121-I1164 HydrophobicContact CB-CD1 4.16Å; A1121-I1164 HydrophobicContact CB-CG1 4.03Å; V1124-I1164 HydrophobicContact CG1-CG2 4.13Å; V1125-I1164 HydrophobicContact CG2-CB 4.22Å; V1125-I1164 HydrophobicContact CG2-CG1 4.23Å; V1125-I1164 HydrophobicContact CG2-CG2 4.13Å; I1128-I1164 HydrophobicContact CD1-CG2 3.69Å; L1146-I1164 HydrophobicContact CD1-CD1 4.32Å; L1157-I1164 HydrophobicContact CD2-CD1 3.61Å; Y1160-I1164 WeakPolarHBondContact O-CG1 3.44Å; Y1160-I1164 PolarHBondContact O-N 2.99Å; S1161-I1164 PolarHBondContact O-N 2.68Å; I1164-T1166 PolarHBondContact O-N 3.32Å; I1164-S1168 WeakPolarHBondContact O-CB 3.42Å; I1164-S1168 PolarHBondContact O-N 3.29Å; I1164-S1168 PolarHBondContact O-OG 2.94Å; I1164-V1173 HydrophobicContact CB-CG1 4.43Å; I1164-V1173 HydrophobicContact CB-CG2 4.4Å; I1164-V1173 HydrophobicContact CG2-CG1 4.07Å; I1164-V1173 HydrophobicContact CG2-CG2 3.94Å
1165Q94.8Very high93.9Very high51 Ų5138.3 Ų38.324%0.23820%0.199CC..Hα-helixtrans-57.7-49179.9-176.4-172.910.400111.3S1161 Q1163 Y1169 S1170 Q1171 V1173S1161-Q1165 WeakPolarHBondContact O-CB 3.41Å; S1161-Q1165 PolarHBondContact O-N 2.94Å; Q1163-Q1165 PolarHBondContact O-N 2.77Å; Q1165-Y1169 PolarHBondContact O-N 2.97Å; Q1165-Y1169 VanDerWaalsContact O-N 3.11Å; Q1165-S1170 WeakPolarHBondContact CG-O 3.49Å; Q1165-S1170 PolarHBondContact O-N 2.74Å; Q1165-Q1171 PolarHBondContact NE2-O 2.92Å; Q1165-V1173 HydrophobicContact CB-CB 4.47Å; Q1165-V1173 HydrophobicContact CB-CG2 3.73Å; Q1165-V1173 HydrophobicContact CG-CG2 4.37Å
1166T93.3Very high93.8Very high37 Ų3735.3 Ų35.323%0.22718%0.177CC..Hα-helixtrans-67-52.8-176.4-56.40000111.4E1032 P1036 L1162 Q1163 I1164 Y1169E1032-T1166 VanDerWaalsContact O-CG2 3.3Å; E1032-T1166 WeakPolarHBondContact O-CG2 3.27Å; P1036-T1166 HydrophobicContact CG-CG2 3.75Å; P1036-T1166 WeakPolarHBondContact CG-OG1 3.14Å; L1162-T1166 VanDerWaalsContact O-CB 3.29Å; L1162-T1166 WeakPolarHBondContact O-CB 3.42Å; L1162-T1166 PolarHBondContact O-N 3.07Å; L1162-T1166 PolarHBondContact O-OG1 2.98Å; Q1163-T1166 PolarHBondContact O-N 3.03Å; I1164-T1166 PolarHBondContact O-N 3.32Å; T1166-Y1169 PolarHBondContact O-N 3.15Å
1167L94.4Very high93.5Very high5 Ų536.5 Ų36.53%0.02619%0.185CC..Hα-helixtrans-70.4-38-175.4-62.5171.2000110.9V1029 E1032 M1122 V1125 R1129 Q1163 Y1169V1029-L1167 HydrophobicContact CG1-CD1 3.96Å; E1032-L1167 HydrophobicContact CB-CD2 3.64Å; M1122-L1167 HydrophobicContact CE-CD1 4.28Å; M1122-L1167 HydrophobicContact SD-CD1 3.52Å; M1122-L1167 VanDerWaalsContact SD-CD1 3.52Å; V1125-L1167 HydrophobicContact CG1-CB 3.71Å; V1125-L1167 HydrophobicContact CG2-CB 4.03Å; R1129-L1167 PolarHBondContact NE-O 2.83Å; R1129-L1167 PolarHBondContact NH2-O 3.02Å; Q1163-L1167 VanDerWaalsContact O-CB 3.31Å; Q1163-L1167 WeakPolarHBondContact O-CB 3.47Å; Q1163-L1167 VanDerWaalsContact O-CG 3.27Å; Q1163-L1167 WeakPolarHBondContact O-CG 3.22Å; Q1163-L1167 PolarHBondContact O-N 3.47Å; L1167-Y1169 PolarHBondContact O-N 2.92Å
1168S94.1Very high92.7Very high1 Ų139.3 Ų39.31%0.00721%0.208CC..Hα-helixtrans-76.3-8.9176.369.50000114.3R1132 I1164 S1170R1132-S1168 WeakPolarHBondContact CD-O 3.5Å; R1132-S1168 PolarHBondContact NE-O 3.43Å; I1164-S1168 WeakPolarHBondContact O-CB 3.42Å; I1164-S1168 PolarHBondContact O-N 3.29Å; I1164-S1168 PolarHBondContact O-OG 2.94Å; S1168-S1170 VanDerWaalsContact C-N 3.3Å; S1168-S1170 WeakPolarHBondContact OG-CB 3.32Å; S1168-S1170 PolarHBondContact OG-OG 3.26Å
1169Y92.8Very high91.8Very high99 Ų9943 Ų4339%0.38823%0.225SC..THydrogen-bonded Turntrans58.341.3-173.3-157.9-100.5000112.6R1132 K1139 R1141 Q1165 T1166 L1167R1132-Y1169 PolarHBondContact NH1-O 2.98Å; K1139-Y1169 WeakPolarHBondContact O-CE1 3.43Å; R1141-Y1169 HydrophobicContact CG-CD1 3.88Å; R1141-Y1169 HydrophobicContact CG-CE1 3.64Å; Q1165-Y1169 PolarHBondContact O-N 2.97Å; Q1165-Y1169 VanDerWaalsContact O-N 3.11Å; T1166-Y1169 PolarHBondContact O-N 3.15Å; L1167-Y1169 PolarHBondContact O-N 2.92Å
1170S92.4Very high91.2Very high2 Ų242.5 Ų42.51%0.01422%0.224CC..  trans-88.9153.8178.7-61.90000111.8A1142 Q1165 S1168A1142-S1170 WeakPolarHBondContact O-CA 3.24Å; Q1165-S1170 WeakPolarHBondContact CG-O 3.49Å; Q1165-S1170 PolarHBondContact O-N 2.74Å; S1168-S1170 VanDerWaalsContact C-N 3.3Å; S1168-S1170 WeakPolarHBondContact OG-CB 3.32Å; S1168-S1170 PolarHBondContact OG-OG 3.26Å
1171Q91.6Very high90.5Very high111 Ų11148 Ų4852%0.51926%0.26SS..SBendtrans-72-55.7176.4179.999.715.600109.5R1141 A1142 D1143 Q1165R1141-Q1171 HydrophobicContact CB-CB 3.85Å; A1142-Q1171 PolarHBondContact O-N 3.26Å; D1143-Q1171 VanDerWaalsContact OD1-CB 3.3Å; D1143-Q1171 WeakPolarHBondContact OD1-CB 3.31Å; D1143-Q1171 VanDerWaalsContact OD1-CG 3.29Å; D1143-Q1171 WeakPolarHBondContact OD1-CG 3.31Å; Q1165-Q1171 PolarHBondContact NE2-O 2.92Å
1172A92.1Very high90.2Very high30 Ų3048.5 Ų48.525%0.24826%0.262CS..  trans-135.6157169.900000110.1D1143 C1144 I1174D1143-A1172 WeakPolarHBondContact OD1-CB 3.48Å; D1143-A1172 PolarHBondContact OD1-N 3.15Å; C1144-A1172 PolarHBondContact N-O 2.98Å; A1172-I1174 HydrophobicContact CB-CD1 4.37Å; A1172-I1174 HydrophobicContact CB-CG1 4.36Å
1173V94.9Very high89.8Confident16 Ų1649.1 Ų49.110%0.09727%0.268CS..EExtended strand (participates in β ladder)trans-123.8118.8171.8175.30000107.5C1144 L1146 I1164 Q1165C1144-V1173 HydrophobicContact CB-CG2 4.44Å; C1144-V1173 CarbonylContact O-C 3.59Å; C1144-V1173 WeakPolarHBondContact O-CA 3.3Å; L1146-V1173 HydrophobicContact CD1-CG1 3.47Å; L1146-V1173 VanDerWaalsContact CD1-CG1 3.47Å; L1146-V1173 HydrophobicContact CG-CG1 4.02Å; I1164-V1173 HydrophobicContact CB-CG1 4.43Å; I1164-V1173 HydrophobicContact CB-CG2 4.4Å; I1164-V1173 HydrophobicContact CG2-CG1 4.07Å; I1164-V1173 HydrophobicContact CG2-CG2 3.94Å; Q1165-V1173 HydrophobicContact CB-CB 4.47Å; Q1165-V1173 HydrophobicContact CB-CG2 3.73Å; Q1165-V1173 HydrophobicContact CG-CG2 4.37Å
1174I94.9Very high89.1Confident61 Ų6156.1 Ų56.131%0.31330%0.3SS..EExtended strand (participates in β ladder)trans-124.998.3-170.7-57.6165.7000108.5C1144 Y1145 L1146 A1172 L1176C1144-I1174 PolarHBondContact O-N 3.18Å; Y1145-I1174 CarbonylContact C-O 3.58Å; Y1145-I1174 WeakPolarHBondContact CA-O 3.39Å; Y1145-I1174 HydrophobicContact CD1-CB 3.83Å; Y1145-I1174 HydrophobicContact CD1-CD1 3.96Å; Y1145-I1174 HydrophobicContact CD1-CG1 4.47Å; Y1145-I1174 HydrophobicContact CD1-CG2 4.03Å; Y1145-I1174 HydrophobicContact CE1-CB 4.16Å; Y1145-I1174 HydrophobicContact CE1-CD1 3.38Å; Y1145-I1174 HydrophobicContact CE1-CG1 4.34Å; Y1145-I1174 HydrophobicContact CE1-CG2 4.31Å; L1146-I1174 PolarHBondContact N-O 2.82Å; A1172-I1174 HydrophobicContact CB-CD1 4.37Å; A1172-I1174 HydrophobicContact CB-CG1 4.36Å; I1174-L1176 HydrophobicContact CG2-CD2 3.9Å; I1174-L1176 HydrophobicContact CG2-CG 4.43Å
1175P93.4Very high88.2Confident11 Ų1157.3 Ų57.37%0.07131%0.313CS..EExtended strand (participates in β ladder)trans-65.5132.5170.4-21.335.3000111.4V1154 L1157 Q1158V1154-P1175 HydrophobicContact CG1-CB 4Å; L1157-P1175 HydrophobicContact CB-CB 4.35Å; L1157-P1175 HydrophobicContact CB-CG 4.02Å; Q1158-P1175 HydrophobicContact CB-CG 4.4Å; Q1158-P1175 VanDerWaalsContact OE1-CD 3.23Å; Q1158-P1175 VanDerWaalsContact OE1-CG 3.32Å
1176L91.8Very high87.7Confident19 Ų1955.9 Ų55.910%0.09931%0.308CS..EExtended strand (participates in β ladder)trans-124.7147.2179.9-61.4178.6000110.1Y1145 L1146 C1148 I1174 Q1180 V1182Y1145-L1176 HydrophobicContact CD1-CD1 4.02Å; Y1145-L1176 HydrophobicContact CG-CD1 4.41Å; L1146-L1176 PolarHBondContact O-N 3.08Å; C1148-L1176 WeakPolarHBondContact CB-O 3.43Å; C1148-L1176 PolarHBondContact N-O 2.81Å; I1174-L1176 HydrophobicContact CG2-CD2 3.9Å; I1174-L1176 HydrophobicContact CG2-CG 4.43Å; L1176-Q1180 VanDerWaalsContact CA-OE1 3.28Å; L1176-Q1180 HydrophobicContact CB-CB 4.13Å; L1176-Q1180 HydrophobicContact CD2-CB 4.3Å; L1176-V1182 HydrophobicContact CD1-CG2 4.32Å
1177T88.1Confident87.2Confident46 Ų4654.3 Ų54.328%0.28230%0.299SS..EExtended strand (participates in β ladder)trans-74.1160.316760.70000110.6C1148 V1154 E1179 Q1180C1148-T1177 CarbonylContact O-C 3.51Å; V1154-T1177 HydrophobicContact CG2-CG2 4.06Å; T1177-E1179 PolarHBondContact O-N 2.79Å; T1177-E1179 VanDerWaalsContact O-N 3.1Å; T1177-Q1180 PolarHBondContact O-N 2.84Å; T1177-Q1180 WeakPolarHBondContact OG1-CG 3.39Å
1178A77.7Confident86.8Confident58 Ų5858.3 Ų58.348%0.47932%0.323SS..THydrogen-bonded Turntrans-55.1-30.5179.200000113.5Q1147 C1148Q1147-A1178 PolarHBondContact NE2-O 2.95Å; C1148-A1178 PolarHBondContact O-N 3.24Å
1179E75.3Confident86.3Confident185 Ų18559.3 Ų59.386%0.86433%0.332SS*.THydrogen-bonded Turntrans-82.3-16.5-178.8-63169.1-178.800113.6T1177T1177-E1179 PolarHBondContact O-N 2.79Å; T1177-E1179 VanDerWaalsContact O-N 3.1Å
1180Q82.3Confident85.8Confident87 Ų8760.7 Ų60.741%0.40735%0.345SS..SBendtrans-80132.3179.2-78.5174.7-28.400110.9L1176 T1177 V1182L1176-Q1180 VanDerWaalsContact CA-OE1 3.28Å; L1176-Q1180 HydrophobicContact CB-CB 4.13Å; L1176-Q1180 HydrophobicContact CD2-CB 4.3Å; T1177-Q1180 PolarHBondContact O-N 2.84Å; T1177-Q1180 WeakPolarHBondContact OG1-CG 3.39Å; Q1180-V1182 PolarHBondContact O-N 2.74Å
1181P81.3Confident85.3Confident117 Ų11761.3 Ų61.376%0.7635%0.35SS*.PPolyproline II helixtrans-69.4131.2-177.727.3-33.2000111.2
1182V86.1Confident84.9Confident39 Ų3957.2 Ų57.224%0.23633%0.334CS..PPolyproline II helixtrans-76.6134.4170.81790000108.8Q1147 L1176 Q1180 C1186 N1198Q1147-V1182 HydrophobicContact CB-CG2 4.31Å; Q1147-V1182 HydrophobicContact CG-CG2 4.4Å; L1176-V1182 HydrophobicContact CD1-CG2 4.32Å; Q1180-V1182 PolarHBondContact O-N 2.74Å; V1182-C1186 HydrophobicContact CG1-CB 4.39Å; V1182-N1198 HydrophobicContact CG1-CB 3.58Å
1183P84.6Confident84.4Confident45 Ų4562.4 Ų62.429%0.29236%0.357SS..PPolyproline II helixtrans-58.4139.5176-29.539.4000113.6Y1145 C1186 M1200Y1145-P1183 HydrophobicContact CD1-CG 4.14Å; Y1145-P1183 HydrophobicContact CD2-CG 4.29Å; Y1145-P1183 HydrophobicContact CE1-CG 3.73Å; Y1145-P1183 HydrophobicContact CE2-CB 4.44Å; Y1145-P1183 HydrophobicContact CE2-CG 3.93Å; Y1145-P1183 HydrophobicContact CG-CG 4.41Å; P1183-C1186 PolarHBondContact O-SG 3.42Å; P1183-M1200 HydrophobicContact CB-CE 3.43Å; P1183-M1200 VanDerWaalsContact CB-CE 3.43Å; P1183-M1200 HydrophobicContact CG-CE 4.41Å
1184E79.2Confident83.9Confident158 Ų15865.6 Ų65.674%0.73837%0.367SS*.THydrogen-bonded Turntrans-63142.8177.9-67.2-177.1175.600112.4
1185G77.4Confident83.7Confident25 Ų2562.7 Ų62.726%0.25835%0.353SS..THydrogen-bonded Turntrans89.820.4178.200000115L1201 K1202 M1273G1185-L1201 PolarHBondContact O-N 3.05Å; G1185-K1202 PolarHBondContact O-N 3.4Å; G1185-M1273 VanDerWaalsContact O-CE 3.31Å; G1185-M1273 WeakPolarHBondContact O-CE 3.38Å
1186C84.1Confident83.6Confident21 Ų2163.9 Ų63.914%0.14236%0.36CS..EExtended strand (participates in β ladder)trans-86.6143.8168.9-64.10000112V1182 P1183 N1198 L1199V1182-C1186 HydrophobicContact CG1-CB 4.39Å; P1183-C1186 PolarHBondContact O-SG 3.42Å; C1186-N1198 HydrophobicContact CB-CB 3.88Å; C1186-L1199 CarbonylContact C-O 3.56Å; C1186-L1199 WeakPolarHBondContact CA-O 3.34Å
1187A83.7Confident83.6Confident4 Ų463 Ų633%0.03336%0.355CS..EExtended strand (participates in β ladder)trans-82.4142.7159.400000110.1L1131 Y1135 N1198 L1199 L1201L1131-A1187 HydrophobicContact CD1-CB 4.2Å; L1131-A1187 HydrophobicContact CD2-CB 4.11Å; L1131-A1187 HydrophobicContact CG-CB 4.28Å; Y1135-A1187 HydrophobicContact CD2-CB 4.11Å; Y1135-A1187 HydrophobicContact CE2-CB 3.3Å; Y1135-A1187 WeakPolarHBondContact OH-CB 3.4Å; A1187-N1198 CarbonylContact O-C 3.36Å; A1187-N1198 WeakPolarHBondContact O-CA 3.44Å; A1187-L1199 PolarHBondContact N-O 3.42Å; A1187-L1199 PolarHBondContact O-N 3.41Å; A1187-L1201 HydrophobicContact CB-CD1 3.57Å; A1187-L1201 HydrophobicContact CB-CG 4.04Å
1188V85Confident83.8Confident89 Ų8961.2 Ų61.254%0.53934%0.344SS..EExtended strand (participates in β ladder)trans-114.8135-171.3-1720000110.4T1196 V1197 N1198V1188-T1196 HydrophobicContact CG1-CG2 3.43Å; V1188-T1196 VanDerWaalsContact CG1-CG2 3.43Å; V1188-V1197 CarbonylContact C-O 3.47Å; V1188-V1197 WeakPolarHBondContact CA-O 3.41Å; V1188-N1198 WeakPolarHBondContact CG2-OD1 3.2Å
1189A83.6Confident84.4Confident23 Ų2358.4 Ų58.419%0.1932%0.321CS..EExtended strand (participates in β ladder)trans-142.4139.816900000110.5T1127 L1131 V1197T1127-A1189 HydrophobicContact CG2-CB 3.58Å; L1131-A1189 HydrophobicContact CD1-CB 4.1Å; L1131-A1189 HydrophobicContact CD2-CB 4.1Å; A1189-V1197 PolarHBondContact N-O 3.35Å; A1189-V1197 WeakPolarHBondContact O-CA 3.08Å; A1189-V1197 WeakPolarHBondContact O-CB 3.42Å; A1189-V1197 PolarHBondContact O-N 2.98Å
1190I83.3Confident85.1Confident128 Ų12850.9 Ų50.966%0.65629%0.286SS*.EExtended strand (participates in β ladder)trans-83.4120.3178-58.8173.9000107.9S1192I1190-S1192 VanDerWaalsContact CG2-O 3.25Å; I1190-S1192 WeakPolarHBondContact CG2-O 3.46Å
1191A80.3Confident85.2Confident14 Ų1446.9 Ų46.912%0.11627%0.267CS..EExtended strand (participates in β ladder)trans-87.4-34.1174.500000111.7T1123 V1124 T1127 C1195 V1197T1123-A1191 WeakPolarHBondContact CG2-O 3.36Å; V1124-A1191 HydrophobicContact CG2-CB 4.06Å; T1127-A1191 HydrophobicContact CG2-CB 4.09Å; A1191-C1195 WeakPolarHBondContact CB-O 3.3Å; A1191-C1195 PolarHBondContact N-O 2.77Å; A1191-V1197 HydrophobicContact CB-CG2 3.96Å
1192S84.9Confident84.9Confident26 Ų2647.7 Ų47.718%0.18226%0.259CS..EExtended strand (participates in β ladder)trans-162.6177.3176.259.40000109.8F1120 I1190 R1194 C1195F1120-S1192 VanDerWaalsContact CE2-OG 3.24Å; F1120-S1192 WeakPolarHBondContact CE2-OG 3.25Å; I1190-S1192 VanDerWaalsContact CG2-O 3.25Å; I1190-S1192 WeakPolarHBondContact CG2-O 3.46Å; S1192-R1194 PolarHBondContact O-N 3.02Å; S1192-R1194 PolarHBondContact OG-N 2.85Å; S1192-C1195 PolarHBondContact N-O 2.56Å; S1192-C1195 VanDerWaalsContact N-O 3.17Å; S1192-C1195 PolarHBondContact O-N 2.94Å; S1192-C1195 PolarHBondContact OG-N 2.97Å; S1192-C1195 VanDerWaalsContact OG-N 3.15Å
1193D79.8Confident84.3Confident138 Ų13849.6 Ų49.674%0.73829%0.286SS*.THydrogen-bonded Turntrans-58.2-20.4166.862.1-26.1000113.7I1149I1149-D1193 WeakPolarHBondContact CG2-O 3.42Å
1194R85.5Confident83.8Confident83 Ų8350.7 Ų50.731%0.31329%0.289SS..THydrogen-bonded Turntrans-99.8-17-177.9-67.4177.653.6-167.3-7115.5F1120 C1148 I1149 T1153 S1192F1120-R1194 HydrophobicContact CE2-CB 4.43Å; F1120-R1194 HydrophobicContact CZ-CB 4.15Å; C1148-R1194 WeakPolarHBondContact CA-O 3.47Å; I1149-R1194 HydrophobicContact CD1-CB 4.21Å; I1149-R1194 HydrophobicContact CD1-CG 3.76Å; I1149-R1194 HydrophobicContact CG1-CB 4.21Å; I1149-R1194 HydrophobicContact CG1-CG 4.25Å; I1149-R1194 PolarHBondContact N-O 3.02Å; I1149-R1194 VanDerWaalsContact N-O 3.13Å; T1153-R1194 HydrophobicContact CG2-CB 4.31Å; T1153-R1194 PolarHBondContact OG1-NE 2.93Å; T1153-R1194 VanDerWaalsContact OG1-NE 3.15Å; T1153-R1194 PolarHBondContact OG1-NH2 3.22Å; S1192-R1194 PolarHBondContact O-N 3.02Å; S1192-R1194 PolarHBondContact OG-N 2.85Å
1195C90.9Very high83.4Confident1 Ų144 Ų441%0.00726%0.259CS..EExtended strand (participates in β ladder)trans-148.9127.5-171.3-179.90000112.6F1120 Q1147 L1157 A1191 S1192F1120-C1195 HydrophobicContact CZ-CB 3.87Å; Q1147-C1195 WeakPolarHBondContact O-CA 3.4Å; L1157-C1195 HydrophobicContact CD1-CB 4.3Å; A1191-C1195 WeakPolarHBondContact CB-O 3.3Å; A1191-C1195 PolarHBondContact N-O 2.77Å; S1192-C1195 PolarHBondContact N-O 2.56Å; S1192-C1195 VanDerWaalsContact N-O 3.17Å; S1192-C1195 PolarHBondContact O-N 2.94Å; S1192-C1195 PolarHBondContact OG-N 2.97Å; S1192-C1195 VanDerWaalsContact OG-N 3.15Å
1196T90.1Very high83Confident36 Ų3647.1 Ų47.122%0.22127%0.269CS..EExtended strand (participates in β ladder)trans-108.4128.8171.7-59.40000110Q1147 V1188 N1198Q1147-T1196 PolarHBondContact N-O 2.95Å; Q1147-T1196 PolarHBondContact O-N 2.83Å; V1188-T1196 HydrophobicContact CG1-CG2 3.43Å; V1188-T1196 VanDerWaalsContact CG1-CG2 3.43Å; T1196-N1198 PolarHBondContact O-ND2 3.3Å
1197V92.9Very high82.2Confident0 Ų047.6 Ų47.60%027%0.271CS..EExtended strand (participates in β ladder)trans-87.9125.7177.2170.80000109.3V1124 T1127 I1128 L1131 L1146 V1188 A1189 A1191V1124-V1197 HydrophobicContact CG1-CG2 4.07Å; T1127-V1197 HydrophobicContact CG2-CB 4.17Å; T1127-V1197 HydrophobicContact CG2-CG2 3.94Å; I1128-V1197 HydrophobicContact CG1-CB 4.49Å; I1128-V1197 HydrophobicContact CG1-CG1 3.58Å; I1128-V1197 HydrophobicContact CG1-CG2 4.02Å; L1131-V1197 HydrophobicContact CD2-CG1 4.19Å; L1146-V1197 HydrophobicContact CD2-CG2 3.88Å; V1188-V1197 CarbonylContact C-O 3.47Å; V1188-V1197 WeakPolarHBondContact CA-O 3.41Å; A1189-V1197 PolarHBondContact N-O 3.35Å; A1189-V1197 WeakPolarHBondContact O-CA 3.08Å; A1189-V1197 WeakPolarHBondContact O-CB 3.42Å; A1189-V1197 PolarHBondContact O-N 2.98Å; A1191-V1197 HydrophobicContact CB-CG2 3.96Å
1198N91.4Very high81.6Confident8 Ų853.6 Ų53.64%0.04330%0.299CS..EExtended strand (participates in β ladder)trans-121.5104.8175.1-59.1-85.7000109.2Y1145 V1182 C1186 A1187 V1188 T1196Y1145-N1198 PolarHBondContact N-O 3.34Å; Y1145-N1198 WeakPolarHBondContact O-CB 2.98Å; Y1145-N1198 PolarHBondContact O-N 3.46Å; Y1145-N1198 PolarHBondContact O-ND2 3.17Å; V1182-N1198 HydrophobicContact CG1-CB 3.58Å; C1186-N1198 HydrophobicContact CB-CB 3.88Å; A1187-N1198 CarbonylContact O-C 3.36Å; A1187-N1198 WeakPolarHBondContact O-CA 3.44Å; V1188-N1198 WeakPolarHBondContact CG2-OD1 3.2Å; T1196-N1198 PolarHBondContact O-ND2 3.3Å
1199L91.2Very high81Confident0 Ų055.8 Ų55.80%030%0.301CS..EExtended strand (participates in β ladder)trans-97.3118.5-176.1-17471.6000110.6I1128 L1131 R1132 L1137 A1142 C1144 C1186 A1187 L1201I1128-L1199 HydrophobicContact CG2-CD1 4.32Å; L1131-L1199 HydrophobicContact CD2-CB 3.62Å; L1131-L1199 HydrophobicContact CD2-CD2 4.26Å; L1131-L1199 HydrophobicContact CG-CB 4.46Å; L1131-L1199 HydrophobicContact CG-CD2 4.25Å; R1132-L1199 HydrophobicContact CG-CD2 3.7Å; L1137-L1199 HydrophobicContact CD1-CD2 3.95Å; A1142-L1199 HydrophobicContact CB-CD1 3.78Å; A1142-L1199 HydrophobicContact CB-CG 4.2Å; C1144-L1199 HydrophobicContact CB-CD1 4.29Å; C1186-L1199 CarbonylContact C-O 3.56Å; C1186-L1199 WeakPolarHBondContact CA-O 3.34Å; A1187-L1199 PolarHBondContact N-O 3.42Å; A1187-L1199 PolarHBondContact O-N 3.41Å; L1199-L1201 HydrophobicContact CD2-CD2 4.09Å; L1199-L1201 HydrophobicContact CG-CD2 4.23Å; L1199-L1201 PolarHBondContact O-N 3.45Å
1200M90Very high80.4Confident27 Ų2756.8 Ų56.813%0.13330%0.302CS..EExtended strand (participates in β ladder)trans-65.6119.7-179.5-178.85672.400111.1D1143 Y1145 P1183 K1202 L1204D1143-M1200 HydrophobicContact CB-CB 4.15Å; D1143-M1200 WeakPolarHBondContact O-CB 3.47Å; D1143-M1200 PolarHBondContact O-N 3.24Å; Y1145-M1200 HydrophobicContact CE2-CB 4.29Å; Y1145-M1200 HydrophobicContact CE2-CE 4.16Å; P1183-M1200 HydrophobicContact CB-CE 3.43Å; P1183-M1200 VanDerWaalsContact CB-CE 3.43Å; P1183-M1200 HydrophobicContact CG-CE 4.41Å; M1200-K1202 HydrophobicContact SD-CB 3.85Å; M1200-L1204 WeakPolarHBondContact O-CD1 3.46Å
1201L83.9Confident80.1Confident3 Ų351.5 Ų51.52%0.01628%0.275CS..  trans-112-26177-57.8-171.2000112.7Y1135 L1137 G1185 A1187 L1199 G1203 L1204 I1205 M1273Y1135-L1201 HydrophobicContact CD1-CD1 3.53Å; Y1135-L1201 HydrophobicContact CD2-CD1 3.84Å; Y1135-L1201 HydrophobicContact CE1-CD1 3.55Å; Y1135-L1201 HydrophobicContact CE2-CD1 3.91Å; Y1135-L1201 HydrophobicContact CG-CD1 3.69Å; Y1135-L1201 HydrophobicContact CG-CD2 4.44Å; L1137-L1201 HydrophobicContact CD1-CD2 3.68Å; G1185-L1201 PolarHBondContact O-N 3.05Å; A1187-L1201 HydrophobicContact CB-CD1 3.57Å; A1187-L1201 HydrophobicContact CB-CG 4.04Å; L1199-L1201 HydrophobicContact CD2-CD2 4.09Å; L1199-L1201 HydrophobicContact CG-CD2 4.23Å; L1199-L1201 PolarHBondContact O-N 3.45Å; L1201-G1203 PolarHBondContact O-N 2.96Å; L1201-L1204 PolarHBondContact O-N 3.22Å; L1201-I1205 HydrophobicContact CB-CD1 4.14Å; L1201-I1205 HydrophobicContact CD1-CD1 4.12Å; L1201-I1205 HydrophobicContact CD2-CD1 3.87Å; L1201-I1205 HydrophobicContact CG-CD1 4.28Å; L1201-I1205 PolarHBondContact O-N 3.46Å; L1201-M1273 HydrophobicContact CB-CE 3.74Å; L1201-M1273 HydrophobicContact CD1-CE 3.88Å; L1201-M1273 HydrophobicContact CD1-SD 4.1Å; L1201-M1273 HydrophobicContact CG-CE 4.17Å
1202K75.4Confident79.9Confident133 Ų13355 Ų5558%0.57830%0.295SS*.BIsolated β-bridgetrans-58.4122.1-179.4-169.9173.3-176.5174.30110.3G1185 M1200 L1204G1185-K1202 PolarHBondContact O-N 3.4Å; M1200-K1202 HydrophobicContact SD-CB 3.85Å; K1202-L1204 VanDerWaalsContact C-N 3.29Å; K1202-L1204 PolarHBondContact O-N 3.4Å
1203G72.4Confident79.5Confident79 Ų7958.8 Ų58.881%0.81431%0.309SS*.THydrogen-bonded Turntrans83-11.1-177.800000115.8L1201L1201-G1203 PolarHBondContact O-N 2.96Å
1204L74.3Confident79.4Confident69 Ų6952.9 Ų52.936%0.36128%0.277SS..THydrogen-bonded Turntrans-100.2-18.4175.9-65.8176.3000113T1140 A1142 M1200 L1201 K1202T1140-L1204 HydrophobicContact CG2-CB 4.45Å; T1140-L1204 HydrophobicContact CG2-CD2 4.11Å; A1142-L1204 HydrophobicContact CB-CD1 3.51Å; M1200-L1204 WeakPolarHBondContact O-CD1 3.46Å; L1201-L1204 PolarHBondContact O-N 3.22Å; K1202-L1204 VanDerWaalsContact C-N 3.29Å; K1202-L1204 PolarHBondContact O-N 3.4Å
1205I70.9Confident79.1Confident18 Ų1852.8 Ų52.89%0.09228%0.281CS..BIsolated β-bridgetrans-123.2127.5176-54.3-177.4000108.1L1137 L1201 V1207 E1210 F1270L1137-I1205 HydrophobicContact CD2-CD1 4.03Å; L1137-I1205 HydrophobicContact CD2-CG1 4.01Å; L1137-I1205 HydrophobicContact CG-CD1 4.42Å; L1201-I1205 HydrophobicContact CB-CD1 4.14Å; L1201-I1205 HydrophobicContact CD1-CD1 4.12Å; L1201-I1205 HydrophobicContact CD2-CD1 3.87Å; L1201-I1205 HydrophobicContact CG-CD1 4.28Å; L1201-I1205 PolarHBondContact O-N 3.46Å; I1205-V1207 PolarHBondContact O-N 3.07Å; I1205-V1207 VanDerWaalsContact O-N 3.11Å; I1205-E1210 HydrophobicContact CG2-CB 3.94Å; I1205-E1210 HydrophobicContact CG2-CG 3.52Å; I1205-F1270 HydrophobicContact CD1-CE1 4.06Å; I1205-F1270 HydrophobicContact CD1-CZ 4.27Å; I1205-F1270 HydrophobicContact CG2-CE1 3.87Å; I1205-F1270 HydrophobicContact CG2-CZ 4.29Å
1206D69Low78.7Confident90 Ų9056.5 Ų56.548%0.48130%0.304SS..  trans-7596.1166.8179.4-18.7000107.3E1208 K1209 E1210D1206-E1208 VanDerWaalsContact C-N 3.27Å; D1206-E1208 PolarHBondContact O-N 2.89Å; D1206-E1208 PolarHBondContact OD1-N 3.18Å; D1206-K1209 HydrophobicContact CB-CB 3.78Å; D1206-K1209 HydrophobicContact CB-CD 4.39Å; D1206-K1209 PolarHBondContact O-N 2.92Å; D1206-K1209 WeakPolarHBondContact OD1-CB 3.44Å; D1206-K1209 PolarHBondContact OD1-N 3.15Å; D1206-K1209 VanDerWaalsContact OD2-CB 3.24Å; D1206-K1209 WeakPolarHBondContact OD2-CB 3.48Å; D1206-E1210 PolarHBondContact O-N 2.88Å
1207V68.8Low78.2Confident30 Ų3058.8 Ų58.818%0.18231%0.311CS..Hα-helixtrans-59.7-39.7-172.4-176.80000110.7I1205 V1211 F1270 M1274I1205-V1207 PolarHBondContact O-N 3.07Å; I1205-V1207 VanDerWaalsContact O-N 3.11Å; V1207-V1211 HydrophobicContact CG1-CG2 4.34Å; V1207-V1211 VanDerWaalsContact O-CB 3.24Å; V1207-V1211 WeakPolarHBondContact O-CB 3.45Å; V1207-V1211 WeakPolarHBondContact O-CG2 3.25Å; V1207-V1211 PolarHBondContact O-N 2.88Å; V1207-F1270 HydrophobicContact CG1-CB 4.08Å; V1207-F1270 HydrophobicContact CG1-CD1 4.23Å; V1207-F1270 VanDerWaalsContact CG1-O 3.24Å; V1207-F1270 WeakPolarHBondContact CG1-O 3.32Å; V1207-M1274 HydrophobicContact CB-CG 4.32Å; V1207-M1274 HydrophobicContact CG1-CG 3.51Å; V1207-M1274 HydrophobicContact CG1-SD 4.28Å
1208E69.9Low77.8Confident130 Ų13061.3 Ų61.361%0.60732%0.322SS*.Hα-helixtrans-67.9-42.9177.4-71.3-171.9164.700112D1206 T1212 M1274D1206-E1208 VanDerWaalsContact C-N 3.27Å; D1206-E1208 PolarHBondContact O-N 2.89Å; D1206-E1208 PolarHBondContact OD1-N 3.18Å; E1208-T1212 VanDerWaalsContact O-CB 3.29Å; E1208-T1212 WeakPolarHBondContact O-CB 3.49Å; E1208-T1212 PolarHBondContact O-N 3.12Å; E1208-T1212 PolarHBondContact O-OG1 3.24Å; E1208-M1274 HydrophobicContact CG-CE 3.78Å
1209K72.9Confident77.6Confident136 Ų13661.9 Ų61.959%0.59133%0.329SS*.Hα-helixtrans-69.3-38.9178.3-174.1179.1-178.8178.20112.7D1206 T1212 K1213D1206-K1209 HydrophobicContact CB-CB 3.78Å; D1206-K1209 HydrophobicContact CB-CD 4.39Å; D1206-K1209 PolarHBondContact O-N 2.92Å; D1206-K1209 WeakPolarHBondContact OD1-CB 3.44Å; D1206-K1209 PolarHBondContact OD1-N 3.15Å; D1206-K1209 VanDerWaalsContact OD2-CB 3.24Å; D1206-K1209 WeakPolarHBondContact OD2-CB 3.48Å; K1209-T1212 PolarHBondContact O-N 3Å; K1209-K1213 VanDerWaalsContact O-CB 3.3Å; K1209-K1213 WeakPolarHBondContact O-CB 3.49Å; K1209-K1213 PolarHBondContact O-N 2.85Å
1210E71.5Confident77.3Confident43 Ų4366.2 Ų66.220%0.20135%0.352CS..Hα-helixtrans-74.3-35.6176.1-75.4-54.2157.500112.2I1205 D1206 T1212 K1213 L1214 F1270I1205-E1210 HydrophobicContact CG2-CB 3.94Å; I1205-E1210 HydrophobicContact CG2-CG 3.52Å; D1206-E1210 PolarHBondContact O-N 2.88Å; E1210-T1212 VanDerWaalsContact C-N 3.32Å; E1210-T1212 PolarHBondContact O-N 3.22Å; E1210-K1213 PolarHBondContact O-N 3.32Å; E1210-K1213 IonicContact OE1-NZ 3.37Å; E1210-K1213 PolarHBondContact OE1-NZ 3.3Å; E1210-K1213 WeakPolarHBondContact OE2-CD 3.49Å; E1210-K1213 IonicContact OE2-NZ 2.91Å; E1210-K1213 PolarHBondContact OE2-NZ 2.85Å; E1210-K1213 VanDerWaalsContact OE2-NZ 3.08Å; E1210-L1214 VanDerWaalsContact O-CB 3.24Å; E1210-L1214 WeakPolarHBondContact O-CB 3.21Å; E1210-L1214 VanDerWaalsContact O-CG 3.23Å; E1210-L1214 WeakPolarHBondContact O-CG 3.43Å; E1210-L1214 PolarHBondContact O-N 2.87Å; E1210-F1270 HydrophobicContact CB-CZ 4.46Å
1211V75.3Confident77Confident17 Ų1765.4 Ų65.410%0.10335%0.348CS..Hα-helixtrans-60.6-43.1167.1169.40000110.3V1207 K1213 L1214 M1215 I1267 F1270V1207-V1211 HydrophobicContact CG1-CG2 4.34Å; V1207-V1211 VanDerWaalsContact O-CB 3.24Å; V1207-V1211 WeakPolarHBondContact O-CB 3.45Å; V1207-V1211 WeakPolarHBondContact O-CG2 3.25Å; V1207-V1211 PolarHBondContact O-N 2.88Å; V1211-K1213 PolarHBondContact O-N 3.45Å; V1211-L1214 PolarHBondContact O-N 3.03Å; V1211-M1215 HydrophobicContact CG1-CG 4.22Å; V1211-M1215 VanDerWaalsContact O-CB 3.23Å; V1211-M1215 WeakPolarHBondContact O-CB 3.43Å; V1211-M1215 WeakPolarHBondContact O-CG 3.48Å; V1211-M1215 PolarHBondContact O-N 3.5Å; V1211-I1267 HydrophobicContact CG1-CG2 4.43Å; V1211-F1270 HydrophobicContact CG2-CB 3.52Å; V1211-F1270 HydrophobicContact CG2-CG 4.37Å
1212T77.6Confident77.2Confident87 Ų8769.4 Ų69.453%0.53437%0.367SS..Hα-helixtrans-63.8-42177.7-60.30000112.1E1208 K1209 E1210 M1215 T1216E1208-T1212 VanDerWaalsContact O-CB 3.29Å; E1208-T1212 WeakPolarHBondContact O-CB 3.49Å; E1208-T1212 PolarHBondContact O-N 3.12Å; E1208-T1212 PolarHBondContact O-OG1 3.24Å; K1209-T1212 PolarHBondContact O-N 3Å; E1210-T1212 VanDerWaalsContact C-N 3.32Å; E1210-T1212 PolarHBondContact O-N 3.22Å; T1212-M1215 PolarHBondContact O-N 3.04Å; T1212-T1216 WeakPolarHBondContact O-CB 3.39Å; T1212-T1216 PolarHBondContact O-N 3.11Å; T1212-T1216 PolarHBondContact O-OG1 3.46Å
1213K76.3Confident77.9Confident107 Ų10769 Ų6947%0.46537%0.365SS..Hα-helixtrans-70.3-40.6177.9-172.7-156.2-169.4178.80111.9K1209 E1210 V1211 T1216 K1217K1209-K1213 VanDerWaalsContact O-CB 3.3Å; K1209-K1213 WeakPolarHBondContact O-CB 3.49Å; K1209-K1213 PolarHBondContact O-N 2.85Å; E1210-K1213 PolarHBondContact O-N 3.32Å; E1210-K1213 IonicContact OE1-NZ 3.37Å; E1210-K1213 PolarHBondContact OE1-NZ 3.3Å; E1210-K1213 WeakPolarHBondContact OE2-CD 3.49Å; E1210-K1213 IonicContact OE2-NZ 2.91Å; E1210-K1213 PolarHBondContact OE2-NZ 2.85Å; E1210-K1213 VanDerWaalsContact OE2-NZ 3.08Å; V1211-K1213 PolarHBondContact O-N 3.45Å; K1213-T1216 WeakPolarHBondContact O-CB 3.42Å; K1213-T1216 PolarHBondContact O-N 3.34Å; K1213-K1217 WeakPolarHBondContact O-CB 3.45Å; K1213-K1217 PolarHBondContact O-N 3.44Å
1214L77Confident78.5Confident13 Ų1368.9 Ų68.97%0.06834%0.344CS..Hα-helixtrans-67.4-36.5173.5-72.2173000111.4E1210 V1211 T1216 K1217 K1218 V1263 A1266 I1267 F1270E1210-L1214 VanDerWaalsContact O-CB 3.24Å; E1210-L1214 WeakPolarHBondContact O-CB 3.21Å; E1210-L1214 VanDerWaalsContact O-CG 3.23Å; E1210-L1214 WeakPolarHBondContact O-CG 3.43Å; E1210-L1214 PolarHBondContact O-N 2.87Å; V1211-L1214 PolarHBondContact O-N 3.03Å; L1214-T1216 VanDerWaalsContact C-N 3.35Å; L1214-K1217 PolarHBondContact O-N 2.82Å; L1214-K1218 WeakPolarHBondContact O-CB 3.24Å; L1214-K1218 PolarHBondContact O-N 2.84Å; L1214-V1263 HydrophobicContact CB-CG1 4.21Å; L1214-V1263 HydrophobicContact CD2-CG1 4.15Å; L1214-V1263 HydrophobicContact CD2-CG2 4.4Å; L1214-V1263 WeakPolarHBondContact O-CG1 3.4Å; L1214-A1266 HydrophobicContact CD1-CB 4.08Å; L1214-I1267 HydrophobicContact CB-CD1 3.92Å; L1214-I1267 HydrophobicContact CB-CG1 3.55Å; L1214-I1267 HydrophobicContact CD1-CG1 4.17Å; L1214-F1270 HydrophobicContact CD1-CD2 3.57Å; L1214-F1270 HydrophobicContact CD1-CE2 3.55Å
1215M79.9Confident79.1Confident81 Ų8166 Ų6640%0.39933%0.328SS..Hα-helixtrans-64.7-37.9171-76.7-69.7-150.800111.9V1211 T1212 K1218 G1219 I1267V1211-M1215 HydrophobicContact CG1-CG 4.22Å; V1211-M1215 VanDerWaalsContact O-CB 3.23Å; V1211-M1215 WeakPolarHBondContact O-CB 3.43Å; V1211-M1215 WeakPolarHBondContact O-CG 3.48Å; V1211-M1215 PolarHBondContact O-N 3.5Å; T1212-M1215 PolarHBondContact O-N 3.04Å; M1215-K1218 WeakPolarHBondContact O-CB 3.43Å; M1215-K1218 PolarHBondContact O-N 2.88Å; M1215-K1218 HydrophobicContact SD-CD 4.29Å; M1215-G1219 PolarHBondContact O-N 2.89Å; M1215-I1267 HydrophobicContact CE-CG2 4.24Å; M1215-I1267 HydrophobicContact CG-CD1 4.24Å; M1215-I1267 HydrophobicContact SD-CD1 3.99Å
1216T81.3Confident80Confident79 Ų7970.6 Ų70.649%0.48535%0.35SS..Hα-helixtrans-65.3-47.4173-55.20000110.6T1212 K1213 L1214 K1218 G1219 D1220T1212-T1216 WeakPolarHBondContact O-CB 3.39Å; T1212-T1216 PolarHBondContact O-N 3.11Å; T1212-T1216 PolarHBondContact O-OG1 3.46Å; K1213-T1216 WeakPolarHBondContact O-CB 3.42Å; K1213-T1216 PolarHBondContact O-N 3.34Å; L1214-T1216 VanDerWaalsContact C-N 3.35Å; T1216-K1218 VanDerWaalsContact C-N 3.31Å; T1216-K1218 PolarHBondContact O-N 2.89Å; T1216-G1219 PolarHBondContact O-N 3.05Å; T1216-G1219 VanDerWaalsContact O-N 3.17Å; T1216-D1220 PolarHBondContact O-N 3.43Å
1217K79.6Confident80.8Confident85 Ų8573.6 Ų73.637%0.3736%0.358SS..Hα-helixtrans-61.4-39.5176.1-171.8177.5179.6-172.70111.7K1213 L1214 D1220 L1221 E1259 V1263K1213-K1217 WeakPolarHBondContact O-CB 3.45Å; K1213-K1217 PolarHBondContact O-N 3.44Å; L1214-K1217 PolarHBondContact O-N 2.82Å; K1217-D1220 PolarHBondContact O-N 3.34Å; K1217-L1221 HydrophobicContact CG-CD1 4.19Å; K1217-L1221 WeakPolarHBondContact O-CB 3.43Å; K1217-L1221 VanDerWaalsContact O-CG 3.32Å; K1217-L1221 WeakPolarHBondContact O-CG 3.46Å; K1217-L1221 PolarHBondContact O-N 3.02Å; K1217-E1259 WeakPolarHBondContact CE-OE1 3.45Å; K1217-E1259 IonicContact NZ-OE1 3.61Å; K1217-E1259 PolarHBondContact NZ-OE1 2.88Å; K1217-V1263 HydrophobicContact CD-CG2 4.16Å
1218K86.1Confident81.6Confident53 Ų5373 Ų7323%0.2335%0.354CS..Hα-helixtrans-57.8-51.8172.3-174.5-173.4173.51720110.1L1214 M1215 T1216 D1220 L1221 E1222 L1260 V1263 I1267L1214-K1218 WeakPolarHBondContact O-CB 3.24Å; L1214-K1218 PolarHBondContact O-N 2.84Å; M1215-K1218 WeakPolarHBondContact O-CB 3.43Å; M1215-K1218 PolarHBondContact O-N 2.88Å; M1215-K1218 HydrophobicContact SD-CD 4.29Å; T1216-K1218 VanDerWaalsContact C-N 3.31Å; T1216-K1218 PolarHBondContact O-N 2.89Å; K1218-D1220 VanDerWaalsContact C-N 3.34Å; K1218-D1220 PolarHBondContact O-N 3.21Å; K1218-L1221 PolarHBondContact O-N 3.49Å; K1218-E1222 WeakPolarHBondContact CE-OE1 3.39Å; K1218-E1222 WeakPolarHBondContact O-CB 3.32Å; K1218-E1222 VanDerWaalsContact O-CG 3.28Å; K1218-E1222 WeakPolarHBondContact O-CG 3.39Å; K1218-E1222 PolarHBondContact O-N 3.38Å; K1218-L1260 HydrophobicContact CB-CD1 4.28Å; K1218-L1260 HydrophobicContact CG-CD1 3.53Å; K1218-V1263 HydrophobicContact CB-CG1 4.06Å; K1218-I1267 HydrophobicContact CB-CD1 4.38Å; K1218-I1267 HydrophobicContact CD-CD1 4.17Å
1219G85.9Confident82.5Confident20 Ų2072.7 Ų72.721%0.20635%0.347CS..Hα-helixtrans-63.1-35.6177.800000113.9M1215 T1216 K1223M1215-G1219 PolarHBondContact O-N 2.89Å; T1216-G1219 PolarHBondContact O-N 3.05Å; T1216-G1219 VanDerWaalsContact O-N 3.17Å; G1219-K1223 WeakPolarHBondContact O-CB 3.42Å; G1219-K1223 VanDerWaalsContact O-CG 3.27Å; G1219-K1223 WeakPolarHBondContact O-CG 3.44Å; G1219-K1223 PolarHBondContact O-N 2.9Å
1220D84.9Confident83.1Confident90 Ų9071.9 Ų71.948%0.48135%0.346SS..Hα-helixtrans-70.2-41.9175.7-73.4-21.8000112.1T1216 K1217 K1218 K1223 Q1224T1216-D1220 PolarHBondContact O-N 3.43Å; K1217-D1220 PolarHBondContact O-N 3.34Å; K1218-D1220 VanDerWaalsContact C-N 3.34Å; K1218-D1220 PolarHBondContact O-N 3.21Å; D1220-K1223 PolarHBondContact O-N 3.12Å; D1220-Q1224 VanDerWaalsContact O-CB 3.29Å; D1220-Q1224 WeakPolarHBondContact O-CB 3.12Å; D1220-Q1224 PolarHBondContact O-N 3.44Å
1221L84.6Confident83.6Confident10 Ų1073.8 Ų73.85%0.05235%0.353CS..Hα-helixtrans-63.3-43.9173.6-76.9169.8000111K1217 K1218 Q1224 M1225 E1259 L1260 V1263K1217-L1221 HydrophobicContact CG-CD1 4.19Å; K1217-L1221 WeakPolarHBondContact O-CB 3.43Å; K1217-L1221 VanDerWaalsContact O-CG 3.32Å; K1217-L1221 WeakPolarHBondContact O-CG 3.46Å; K1217-L1221 PolarHBondContact O-N 3.02Å; K1218-L1221 PolarHBondContact O-N 3.49Å; L1221-Q1224 PolarHBondContact O-N 3.24Å; L1221-M1225 WeakPolarHBondContact O-CB 3.2Å; L1221-M1225 WeakPolarHBondContact O-CG 3.22Å; L1221-M1225 PolarHBondContact O-N 3.49Å; L1221-E1259 HydrophobicContact CD1-CB 4.32Å; L1221-E1259 HydrophobicContact CD1-CG 4.01Å; L1221-L1260 HydrophobicContact CB-CD1 4.12Å; L1221-V1263 HydrophobicContact CD1-CG2 4.31Å
1222E88.3Confident84Confident87 Ų8775.7 Ų75.741%0.40736%0.362SS..Hα-helixtrans-59.7-47.7175.4-75.3170.316500111.4K1218 Q1224 M1225 E1226 L1260K1218-E1222 WeakPolarHBondContact CE-OE1 3.39Å; K1218-E1222 WeakPolarHBondContact O-CB 3.32Å; K1218-E1222 VanDerWaalsContact O-CG 3.28Å; K1218-E1222 WeakPolarHBondContact O-CG 3.39Å; K1218-E1222 PolarHBondContact O-N 3.38Å; E1222-Q1224 PolarHBondContact O-N 3.42Å; E1222-M1225 PolarHBondContact O-N 3.1Å; E1222-E1226 WeakPolarHBondContact O-CB 3.46Å; E1222-E1226 PolarHBondContact O-N 2.97Å; E1222-L1260 HydrophobicContact CG-CD1 3.96Å; E1222-L1260 HydrophobicContact CG-CD2 4.06Å
1223K88.9Confident84.2Confident125 Ų12575 Ų7554%0.54337%0.365SS..Hα-helixtrans-63.4-39.1175.5-75.4171.2-174168.80113G1219 D1220 E1226 K1227G1219-K1223 WeakPolarHBondContact O-CB 3.42Å; G1219-K1223 VanDerWaalsContact O-CG 3.27Å; G1219-K1223 WeakPolarHBondContact O-CG 3.44Å; G1219-K1223 PolarHBondContact O-N 2.9Å; D1220-K1223 PolarHBondContact O-N 3.12Å; K1223-E1226 PolarHBondContact O-N 3.04Å; K1223-K1227 WeakPolarHBondContact O-CG 3.36Å; K1223-K1227 PolarHBondContact O-N 2.83Å
1224Q84.9Confident84.7Confident77 Ų7776.3 Ų76.336%0.3637%0.371SS..Hα-helixtrans-64.5-43.9176.7176.6176.1-37.500110.6D1220 L1221 E1222 L1228D1220-Q1224 VanDerWaalsContact O-CB 3.29Å; D1220-Q1224 WeakPolarHBondContact O-CB 3.12Å; D1220-Q1224 PolarHBondContact O-N 3.44Å; L1221-Q1224 PolarHBondContact O-N 3.24Å; E1222-Q1224 PolarHBondContact O-N 3.42Å; Q1224-L1228 HydrophobicContact CG-CD1 4.48Å; Q1224-L1228 WeakPolarHBondContact O-CB 3.19Å; Q1224-L1228 PolarHBondContact O-N 2.98Å
1225M88.6Confident84.3Confident7 Ų783.5 Ų83.53%0.03441%0.409CS..Hα-helixtrans-64.5-40.4176.1-72.1175.247.200111.6L1221 E1222 L1228 R1229 L1253 Q1257 L1260L1221-M1225 WeakPolarHBondContact O-CB 3.2Å; L1221-M1225 WeakPolarHBondContact O-CG 3.22Å; L1221-M1225 PolarHBondContact O-N 3.49Å; E1222-M1225 PolarHBondContact O-N 3.1Å; M1225-L1228 PolarHBondContact O-N 3.03Å; M1225-R1229 WeakPolarHBondContact O-CB 3.19Å; M1225-R1229 VanDerWaalsContact O-CG 3.25Å; M1225-R1229 WeakPolarHBondContact O-CG 3.2Å; M1225-R1229 PolarHBondContact O-N 2.97Å; M1225-L1253 HydrophobicContact CB-CD1 3.9Å; M1225-L1253 HydrophobicContact CE-CD1 4.41Å; M1225-L1253 HydrophobicContact CG-CD1 3.93Å; M1225-Q1257 HydrophobicContact CE-CB 4.46Å; M1225-Q1257 HydrophobicContact CE-CG 3.29Å; M1225-Q1257 HydrophobicContact SD-CG 3.99Å; M1225-L1260 HydrophobicContact CE-CD2 4.39Å; M1225-L1260 HydrophobicContact SD-CD2 4.04Å
1226E89.1Confident84.1Confident116 Ų11682.7 Ų82.754%0.54241%0.406SS..Hα-helixtrans-62.1-49.6176.4-171.9165.6-148.800111.6E1222 K1223 L1228 R1229 E1230E1222-E1226 WeakPolarHBondContact O-CB 3.46Å; E1222-E1226 PolarHBondContact O-N 2.97Å; K1223-E1226 PolarHBondContact O-N 3.04Å; E1226-L1228 VanDerWaalsContact C-N 3.29Å; E1226-L1228 PolarHBondContact O-N 3.49Å; E1226-R1229 PolarHBondContact O-N 2.76Å; E1226-R1229 VanDerWaalsContact O-N 3.14Å; E1226-E1230 WeakPolarHBondContact O-CG 3.44Å; E1226-E1230 PolarHBondContact O-N 3.11Å
1227K86.4Confident83.9Confident152 Ų15279.5 Ų79.566%0.66139%0.386SS*.Hα-helixtrans-59.6-38174.1-74.5178.4-178.81750113K1223 K1231K1223-K1227 WeakPolarHBondContact O-CG 3.36Å; K1223-K1227 PolarHBondContact O-N 2.83Å; K1227-K1231 WeakPolarHBondContact O-CB 3.33Å; K1227-K1231 PolarHBondContact O-N 2.89Å
1228L85.9Confident83.5Confident19 Ų1983.7 Ų83.710%0.09940%0.404CS..Hα-helixtrans-66.3-45.3176-118.792.3000110.9Q1224 M1225 E1226 K1231 M1232 D1249 K1252 L1253Q1224-L1228 HydrophobicContact CG-CD1 4.48Å; Q1224-L1228 WeakPolarHBondContact O-CB 3.19Å; Q1224-L1228 PolarHBondContact O-N 2.98Å; M1225-L1228 PolarHBondContact O-N 3.03Å; E1226-L1228 VanDerWaalsContact C-N 3.29Å; E1226-L1228 PolarHBondContact O-N 3.49Å; L1228-K1231 WeakPolarHBondContact O-CB 3.4Å; L1228-K1231 PolarHBondContact O-N 2.74Å; L1228-M1232 WeakPolarHBondContact O-CB 3.11Å; L1228-M1232 WeakPolarHBondContact O-CG 3.42Å; L1228-M1232 PolarHBondContact O-N 3.02Å; L1228-D1249 HydrophobicContact CD2-CB 4.37Å; L1228-D1249 WeakPolarHBondContact CD2-O 3.4Å; L1228-K1252 HydrophobicContact CD1-CD 4.38Å; L1228-K1252 HydrophobicContact CD2-CB 4.13Å; L1228-K1252 HydrophobicContact CD2-CG 4.33Å; L1228-L1253 HydrophobicContact CB-CD1 4.37Å; L1228-L1253 HydrophobicContact CD2-CB 3.98Å
1229R86.9Confident82.7Confident122 Ų12289.5 Ų89.546%0.4643%0.432SS..Hα-helixtrans-62-44.2177.1-75.2171.3178.7167-1.1111.5M1225 E1226 K1231 M1232 A1233 L1253M1225-R1229 WeakPolarHBondContact O-CB 3.19Å; M1225-R1229 VanDerWaalsContact O-CG 3.25Å; M1225-R1229 WeakPolarHBondContact O-CG 3.2Å; M1225-R1229 PolarHBondContact O-N 2.97Å; E1226-R1229 PolarHBondContact O-N 2.76Å; E1226-R1229 VanDerWaalsContact O-N 3.14Å; R1229-K1231 PolarHBondContact O-N 3.11Å; R1229-M1232 CarbonylContact O-C 3.29Å; R1229-M1232 PolarHBondContact O-N 2.82Å; R1229-A1233 WeakPolarHBondContact O-CB 3.43Å; R1229-A1233 PolarHBondContact O-N 2.89Å; R1229-L1253 HydrophobicContact CG-CD1 4.05Å; R1229-L1253 HydrophobicContact CG-CD2 4.11Å
1230E86Confident81.8Confident119 Ų11995.9 Ų95.956%0.55645%0.454SS*.Hα-helixtrans-61.1-42.7174.8-74.5-179.3166.100112.4E1226 M1232 A1233 K1234E1226-E1230 WeakPolarHBondContact O-CG 3.44Å; E1226-E1230 PolarHBondContact O-N 3.11Å; E1230-M1232 VanDerWaalsContact C-N 3.31Å; E1230-M1232 PolarHBondContact O-N 2.78Å; E1230-A1233 PolarHBondContact O-N 2.81Å; E1230-K1234 PolarHBondContact O-N 2.87Å
1231K83.3Confident81Confident83 Ų8393.1 Ų93.136%0.36144%0.44SS..Hα-helixtrans-60.5-43.8175.3-176.3-167.6178.3-160.90110.8K1227 L1228 R1229 Y1237 D1249K1227-K1231 WeakPolarHBondContact O-CB 3.33Å; K1227-K1231 PolarHBondContact O-N 2.89Å; L1228-K1231 WeakPolarHBondContact O-CB 3.4Å; L1228-K1231 PolarHBondContact O-N 2.74Å; R1229-K1231 PolarHBondContact O-N 3.11Å; K1231-Y1237 HydrophobicContact CD-CE2 4.43Å; K1231-Y1237 HydrophobicContact CG-CD2 4.38Å; K1231-Y1237 HydrophobicContact CG-CE2 4.08Å; K1231-Y1237 WeakPolarHBondContact O-CD2 3.32Å; K1231-D1249 WeakPolarHBondContact CE-OD2 3.42Å; K1231-D1249 VanDerWaalsContact NZ-CG 3.25Å; K1231-D1249 IonicContact NZ-OD1 3.63Å; K1231-D1249 PolarHBondContact NZ-OD1 3.29Å; K1231-D1249 IonicContact NZ-OD2 3.02Å; K1231-D1249 PolarHBondContact NZ-OD2 2.67Å
1232M82.4Confident80.4Confident57 Ų5796.8 Ų96.828%0.28147%0.465SS..Hα-helixtrans-73.5-24.8-179.8-67.7170.674.800113.2L1228 R1229 E1230 Y1237 D1249 A1250 L1253L1228-M1232 WeakPolarHBondContact O-CB 3.11Å; L1228-M1232 WeakPolarHBondContact O-CG 3.42Å; L1228-M1232 PolarHBondContact O-N 3.02Å; R1229-M1232 CarbonylContact O-C 3.29Å; R1229-M1232 PolarHBondContact O-N 2.82Å; E1230-M1232 VanDerWaalsContact C-N 3.31Å; E1230-M1232 PolarHBondContact O-N 2.78Å; M1232-Y1237 HydrophobicContact CB-CD1 4.5Å; M1232-Y1237 HydrophobicContact CB-CE1 4.2Å; M1232-Y1237 HydrophobicContact CG-CE1 3.96Å; M1232-Y1237 HydrophobicContact CG-CE2 4.36Å; M1232-D1249 HydrophobicContact CG-CB 4.37Å; M1232-D1249 HydrophobicContact SD-CB 4.24Å; M1232-A1250 HydrophobicContact CE-CB 4.15Å; M1232-L1253 HydrophobicContact SD-CD2 4.28Å
1233A82.1Confident79.3Confident73 Ų7395.7 Ų95.760%0.60347%0.471SS*.THydrogen-bonded Turntrans-83.6-6.4-179.600000114.2R1229 E1230 N1235R1229-A1233 WeakPolarHBondContact O-CB 3.43Å; R1229-A1233 PolarHBondContact O-N 2.89Å; E1230-A1233 PolarHBondContact O-N 2.81Å; A1233-N1235 PolarHBondContact O-N 2.97Å
1234K85.9Confident77.8Confident134 Ų13496.5 Ų96.558%0.58347%0.474SS*.SBendtrans-66.1132.9177-72.5178.9-178.1-179.50110.9E1230 D1236 Y1237E1230-K1234 PolarHBondContact O-N 2.87Å; K1234-D1236 PolarHBondContact O-N 3.12Å; K1234-Y1237 WeakPolarHBondContact O-CB 3.35Å; K1234-Y1237 PolarHBondContact O-N 3.48Å
1235N68.6Low76.8Confident165 Ų16595.1 Ų95.188%0.88247%0.471SS*.THydrogen-bonded Turntrans-57.3-25.1-174.8-67.9-11.1000114.5A1233A1233-N1235 PolarHBondContact O-N 2.97Å
1236D76.2Confident76.1Confident63 Ų6397.2 Ų97.234%0.33748%0.48SS..THydrogen-bonded Turntrans-98.62.7178.467.2-20.1000114.1K1234 E1239 K1240K1234-D1236 PolarHBondContact O-N 3.12Å; D1236-E1239 PolarHBondContact O-N 3.04Å; D1236-K1240 HydrophobicContact CB-CD 4.19Å; D1236-K1240 HydrophobicContact CB-CG 4.43Å; D1236-K1240 WeakPolarHBondContact O-CB 3.44Å; D1236-K1240 PolarHBondContact O-N 3Å; D1236-K1240 WeakPolarHBondContact OD2-CD 3.25Å; D1236-K1240 WeakPolarHBondContact OD2-CE 3.17Å; D1236-K1240 IonicContact OD2-NZ 3.22Å; D1236-K1240 PolarHBondContact OD2-NZ 3.45Å
1237Y77.5Confident75.2Confident12 Ų1295.4 Ų95.45%0.04747%0.472CS..Hα-helixtrans-62.4-46.4-178.5-177.7-98.5000111.7K1231 M1232 K1234 E1239 V1241 Q1246 D1249K1231-Y1237 HydrophobicContact CD-CE2 4.43Å; K1231-Y1237 HydrophobicContact CG-CD2 4.38Å; K1231-Y1237 HydrophobicContact CG-CE2 4.08Å; K1231-Y1237 WeakPolarHBondContact O-CD2 3.32Å; M1232-Y1237 HydrophobicContact CB-CD1 4.5Å; M1232-Y1237 HydrophobicContact CB-CE1 4.2Å; M1232-Y1237 HydrophobicContact CG-CE1 3.96Å; M1232-Y1237 HydrophobicContact CG-CE2 4.36Å; K1234-Y1237 WeakPolarHBondContact O-CB 3.35Å; K1234-Y1237 PolarHBondContact O-N 3.48Å; Y1237-E1239 VanDerWaalsContact C-N 3.27Å; Y1237-E1239 PolarHBondContact O-N 3.04Å; Y1237-V1241 HydrophobicContact CD2-CB 4.17Å; Y1237-V1241 HydrophobicContact CD2-CG2 3.58Å; Y1237-V1241 HydrophobicContact CE2-CB 4.16Å; Y1237-V1241 HydrophobicContact CE2-CG1 4.05Å; Y1237-V1241 HydrophobicContact CE2-CG2 3.87Å; Y1237-V1241 HydrophobicContact CG-CG2 4.23Å; Y1237-V1241 VanDerWaalsContact O-CB 3.24Å; Y1237-V1241 WeakPolarHBondContact O-CB 3.12Å; Y1237-V1241 PolarHBondContact O-N 3.36Å; Y1237-V1241 VanDerWaalsContact O-N 3.11Å; Y1237-Q1246 HydrophobicContact CD1-CG 4.38Å; Y1237-Q1246 HydrophobicContact CE1-CB 4.13Å; Y1237-Q1246 HydrophobicContact CE1-CG 3.72Å; Y1237-Q1246 WeakPolarHBondContact OH-CA 3.45Å; Y1237-D1249 WeakPolarHBondContact OH-CB 3.42Å; Y1237-D1249 VanDerWaalsContact OH-CG 3.3Å; Y1237-D1249 PolarHBondContact OH-OD2 2.9Å
1238K71.2Confident74.1Confident174 Ų17493.4 Ų93.476%0.75747%0.465SS*.Hα-helixtrans-64.5-29.5179.7-73-173.8177.1-179.50113.5Q1246K1238-Q1246 PolarHBondContact O-NE2 2.96Å
1239E69.4Low73.8Confident174 Ų17493.3 Ų93.381%0.81347%0.465SS*.Hα-helixtrans-92.9-36.1-176.4-65.4-175.4170.500113.6D1236 Y1237D1236-E1239 PolarHBondContact O-N 3.04Å; Y1237-E1239 VanDerWaalsContact C-N 3.27Å; Y1237-E1239 PolarHBondContact O-N 3.04Å
1240K66.3Low73.3Confident154 Ų15489.6 Ų89.667%0.6746%0.46SS*.Hα-helixtrans-99.9-21.4-173.9-70.5-174-171.9156.50115.1D1236D1236-K1240 HydrophobicContact CB-CD 4.19Å; D1236-K1240 HydrophobicContact CB-CG 4.43Å; D1236-K1240 WeakPolarHBondContact O-CB 3.44Å; D1236-K1240 PolarHBondContact O-N 3Å; D1236-K1240 WeakPolarHBondContact OD2-CD 3.25Å; D1236-K1240 WeakPolarHBondContact OD2-CE 3.17Å; D1236-K1240 IonicContact OD2-NZ 3.22Å; D1236-K1240 PolarHBondContact OD2-NZ 3.45Å
1241V68.3Low72.6Confident33 Ų3387.2 Ų87.220%0.245%0.449CS..SBendtrans-94.4125.2-177.6-178.20000108.4Y1237 V1245 Q1246Y1237-V1241 HydrophobicContact CD2-CB 4.17Å; Y1237-V1241 HydrophobicContact CD2-CG2 3.58Å; Y1237-V1241 HydrophobicContact CE2-CB 4.16Å; Y1237-V1241 HydrophobicContact CE2-CG1 4.05Å; Y1237-V1241 HydrophobicContact CE2-CG2 3.87Å; Y1237-V1241 HydrophobicContact CG-CG2 4.23Å; Y1237-V1241 VanDerWaalsContact O-CB 3.24Å; Y1237-V1241 WeakPolarHBondContact O-CB 3.12Å; Y1237-V1241 PolarHBondContact O-N 3.36Å; Y1237-V1241 VanDerWaalsContact O-N 3.11Å; V1241-V1245 HydrophobicContact CG1-CB 3.67Å; V1241-V1245 HydrophobicContact CG1-CG1 3.6Å; V1241-Q1246 HydrophobicContact CB-CG 4.17Å; V1241-Q1246 HydrophobicContact CG1-CG 3.99Å; V1241-Q1246 PolarHBondContact O-NE2 3.45Å
1242P71.9Confident72.2Confident86 Ų8688.1 Ų88.156%0.55845%0.453SS*.  trans-57142.8179.6-25.233.9000112K1244 V1245 Q1246P1242-K1244 PolarHBondContact O-N 3.14Å; P1242-V1245 HydrophobicContact CB-CG2 4.4Å; P1242-V1245 WeakPolarHBondContact O-CA 3.31Å; P1242-V1245 WeakPolarHBondContact O-CB 3.41Å; P1242-V1245 PolarHBondContact O-N 3.1Å; P1242-Q1246 PolarHBondContact O-N 3.34Å; P1242-Q1246 VanDerWaalsContact O-N 3.13Å
1243A65.4Low72.2Confident65 Ų6586.5 Ų86.554%0.53745%0.445SS..Hα-helixtrans-52.9-35.4-17700000113.7V1245 Q1246 E1247A1243-V1245 VanDerWaalsContact C-N 3.31Å; A1243-V1245 PolarHBondContact O-N 3.22Å; A1243-Q1246 PolarHBondContact O-N 3.05Å; A1243-E1247 WeakPolarHBondContact O-CB 3.46Å; A1243-E1247 PolarHBondContact O-N 3.2Å
1244K56.8Low71.9Confident142 Ų14289.4 Ų89.462%0.61744%0.441SS*.Hα-helixtrans-60.7-37.2174.6-173.9176.5-178.8177.20112.8P1242 Q1248P1242-K1244 PolarHBondContact O-N 3.14Å; K1244-Q1248 WeakPolarHBondContact O-CB 3.16Å; K1244-Q1248 VanDerWaalsContact O-CG 3.23Å; K1244-Q1248 WeakPolarHBondContact O-CG 3.38Å; K1244-Q1248 PolarHBondContact O-N 3.3Å; K1244-Q1248 VanDerWaalsContact O-N 3.09Å
1245V65.1Low71.1Confident48 Ų4888.2 Ų88.229%0.29144%0.437SS..Hα-helixtrans-78-32.1179-179.90000110.6V1241 P1242 A1243 Q1248 D1249V1241-V1245 HydrophobicContact CG1-CB 3.67Å; V1241-V1245 HydrophobicContact CG1-CG1 3.6Å; P1242-V1245 HydrophobicContact CB-CG2 4.4Å; P1242-V1245 WeakPolarHBondContact O-CA 3.31Å; P1242-V1245 WeakPolarHBondContact O-CB 3.41Å; P1242-V1245 PolarHBondContact O-N 3.1Å; A1243-V1245 VanDerWaalsContact C-N 3.31Å; A1243-V1245 PolarHBondContact O-N 3.22Å; V1245-Q1248 PolarHBondContact O-N 3.23Å; V1245-D1249 WeakPolarHBondContact O-CB 3.46Å; V1245-D1249 VanDerWaalsContact O-CG 3.31Å; V1245-D1249 PolarHBondContact O-N 3.49Å
1246Q73.1Confident71.5Confident50 Ų5080.6 Ų80.623%0.23440%0.397CS..Hα-helixtrans-64.7-43.4172.6-57.6-176.233.700111.8Y1237 K1238 V1241 P1242 A1243 D1249 A1250Y1237-Q1246 HydrophobicContact CD1-CG 4.38Å; Y1237-Q1246 HydrophobicContact CE1-CB 4.13Å; Y1237-Q1246 HydrophobicContact CE1-CG 3.72Å; Y1237-Q1246 WeakPolarHBondContact OH-CA 3.45Å; K1238-Q1246 PolarHBondContact O-NE2 2.96Å; V1241-Q1246 HydrophobicContact CB-CG 4.17Å; V1241-Q1246 HydrophobicContact CG1-CG 3.99Å; V1241-Q1246 PolarHBondContact O-NE2 3.45Å; P1242-Q1246 PolarHBondContact O-N 3.34Å; P1242-Q1246 VanDerWaalsContact O-N 3.13Å; A1243-Q1246 PolarHBondContact O-N 3.05Å; Q1246-D1249 PolarHBondContact O-N 3.08Å; Q1246-A1250 WeakPolarHBondContact O-CB 3.44Å; Q1246-A1250 PolarHBondContact O-N 3.46Å
1247E69.8Low71.7Confident78 Ų7881.7 Ų81.736%0.36440%0.4SS..Hα-helixtrans-65.1-41.6176.7-169.1169.8-164.200111.5K118 A1243 A1250 E1251K118-E1247 VanDerWaalsContact CE-OE2 3.29Å; K118-E1247 WeakPolarHBondContact CE-OE2 3.44Å; K118-E1247 IonicContact NZ-OE2 3.86Å; K118-E1247 PolarHBondContact NZ-OE2 3.36Å; A1243-E1247 WeakPolarHBondContact O-CB 3.46Å; A1243-E1247 PolarHBondContact O-N 3.2Å; E1247-A1250 PolarHBondContact O-N 2.98Å; E1247-E1251 WeakPolarHBondContact O-CB 3.44Å; E1247-E1251 PolarHBondContact O-N 2.82Å
1248Q64.9Low71.2Confident111 Ų11184.2 Ų84.252%0.51942%0.417SS..Hα-helixtrans-64.6-42.2173.4-76.3174.8-15.300113.2K1244 V1245 K1252K1244-Q1248 WeakPolarHBondContact O-CB 3.16Å; K1244-Q1248 VanDerWaalsContact O-CG 3.23Å; K1244-Q1248 WeakPolarHBondContact O-CG 3.38Å; K1244-Q1248 PolarHBondContact O-N 3.3Å; K1244-Q1248 VanDerWaalsContact O-N 3.09Å; V1245-Q1248 PolarHBondContact O-N 3.23Å; Q1248-K1252 WeakPolarHBondContact O-CB 3.14Å; Q1248-K1252 PolarHBondContact O-N 2.76Å
1249D79.4Confident71.3Confident16 Ų1679.7 Ų79.79%0.08640%0.398CS..Hα-helixtrans-65.3-40.1175.6-74.5-27.1000110.5L1228 K1231 M1232 Y1237 V1245 Q1246 K1252 L1253L1228-D1249 HydrophobicContact CD2-CB 4.37Å; L1228-D1249 WeakPolarHBondContact CD2-O 3.4Å; K1231-D1249 WeakPolarHBondContact CE-OD2 3.42Å; K1231-D1249 VanDerWaalsContact NZ-CG 3.25Å; K1231-D1249 IonicContact NZ-OD1 3.63Å; K1231-D1249 PolarHBondContact NZ-OD1 3.29Å; K1231-D1249 IonicContact NZ-OD2 3.02Å; K1231-D1249 PolarHBondContact NZ-OD2 2.67Å; M1232-D1249 HydrophobicContact CG-CB 4.37Å; M1232-D1249 HydrophobicContact SD-CB 4.24Å; Y1237-D1249 WeakPolarHBondContact OH-CB 3.42Å; Y1237-D1249 VanDerWaalsContact OH-CG 3.3Å; Y1237-D1249 PolarHBondContact OH-OD2 2.9Å; V1245-D1249 WeakPolarHBondContact O-CB 3.46Å; V1245-D1249 VanDerWaalsContact O-CG 3.31Å; V1245-D1249 PolarHBondContact O-N 3.49Å; Q1246-D1249 PolarHBondContact O-N 3.08Å; D1249-K1252 PolarHBondContact O-N 2.85Å; D1249-L1253 PolarHBondContact O-N 3.23Å
1250A76.3Confident71.8Confident45 Ų4572.8 Ų72.837%0.37237%0.367SS..Hα-helixtrans-65.6-45.617700000113M1232 Q1246 E1247 K1252 L1253 R1254M1232-A1250 HydrophobicContact CE-CB 4.15Å; Q1246-A1250 WeakPolarHBondContact O-CB 3.44Å; Q1246-A1250 PolarHBondContact O-N 3.46Å; E1247-A1250 PolarHBondContact O-N 2.98Å; A1250-K1252 VanDerWaalsContact C-N 3.32Å; A1250-K1252 PolarHBondContact O-N 3.27Å; A1250-L1253 WeakPolarHBondContact O-CB 3.3Å; A1250-L1253 PolarHBondContact O-N 3.21Å; A1250-R1254 PolarHBondContact O-N 3.42Å
1251E70.9Confident72.2Confident68 Ų6871 Ų7132%0.31836%0.361SS..Hα-helixtrans-64.2-39.5176177.656.1-162.900111.3E1247 L1253 R1254 Q1255E1247-E1251 WeakPolarHBondContact O-CB 3.44Å; E1247-E1251 PolarHBondContact O-N 2.82Å; E1251-L1253 VanDerWaalsContact C-N 3.28Å; E1251-L1253 PolarHBondContact O-N 2.87Å; E1251-R1254 PolarHBondContact O-N 2.98Å; E1251-R1254 IonicContact OE1-CZ 3.5Å; E1251-R1254 IonicContact OE1-NE 2.83Å; E1251-R1254 IonicContact OE1-NH2 3.31Å; E1251-R1254 PolarHBondContact OE1-NH2 3.03Å; E1251-R1254 IonicContact OE2-CZ 2.91Å; E1251-R1254 IonicContact OE2-NE 2.76Å; E1251-R1254 PolarHBondContact OE2-NE 3.34Å; E1251-R1254 IonicContact OE2-NH2 3.62Å; E1251-R1254 PolarHBondContact OE2-NH2 3.42Å; E1251-Q1255 HydrophobicContact CG-CG 4.49Å; E1251-Q1255 WeakPolarHBondContact O-CG 3.42Å; E1251-Q1255 PolarHBondContact O-N 2.87Å; E1251-Q1255 WeakPolarHBondContact OE1-CG 3.31Å; E1251-Q1255 PolarHBondContact OE1-NE2 2.93Å
1252K74.8Confident72.3Confident102 Ų10276.1 Ų76.144%0.44338%0.38SS..Hα-helixtrans-63-34.9175.3-170.8171-174.6175.40112.2L1228 Q1248 D1249 A1250 S1256L1228-K1252 HydrophobicContact CD1-CD 4.38Å; L1228-K1252 HydrophobicContact CD2-CB 4.13Å; L1228-K1252 HydrophobicContact CD2-CG 4.33Å; Q1248-K1252 WeakPolarHBondContact O-CB 3.14Å; Q1248-K1252 PolarHBondContact O-N 2.76Å; D1249-K1252 PolarHBondContact O-N 2.85Å; A1250-K1252 VanDerWaalsContact C-N 3.32Å; A1250-K1252 PolarHBondContact O-N 3.27Å; K1252-S1256 WeakPolarHBondContact O-CB 3.31Å; K1252-S1256 PolarHBondContact O-N 3.45Å; K1252-S1256 VanDerWaalsContact O-N 3.1Å; K1252-S1256 PolarHBondContact O-OG 3.01Å
1253L83.1Confident72.3Confident23 Ų2372.4 Ų72.412%0.1236%0.356CS..Hα-helixtrans-66.7-44.1173.3-173.665.9000111.6M1225 L1228 R1229 M1232 D1249 A1250 E1251 S1256 Q1257M1225-L1253 HydrophobicContact CB-CD1 3.9Å; M1225-L1253 HydrophobicContact CE-CD1 4.41Å; M1225-L1253 HydrophobicContact CG-CD1 3.93Å; L1228-L1253 HydrophobicContact CB-CD1 4.37Å; L1228-L1253 HydrophobicContact CD2-CB 3.98Å; R1229-L1253 HydrophobicContact CG-CD1 4.05Å; R1229-L1253 HydrophobicContact CG-CD2 4.11Å; M1232-L1253 HydrophobicContact SD-CD2 4.28Å; D1249-L1253 PolarHBondContact O-N 3.23Å; A1250-L1253 WeakPolarHBondContact O-CB 3.3Å; A1250-L1253 PolarHBondContact O-N 3.21Å; E1251-L1253 VanDerWaalsContact C-N 3.28Å; E1251-L1253 PolarHBondContact O-N 2.87Å; L1253-S1256 PolarHBondContact O-N 2.96Å; L1253-Q1257 WeakPolarHBondContact O-CG 3.46Å; L1253-Q1257 PolarHBondContact O-N 3.41Å
1254R74.8Confident72.8Confident135 Ų13571.1 Ų71.151%0.50934%0.342SS..Hα-helixtrans-64-43.6178.8-168.5-172.771.891.22.8112.6A1250 E1251 Q1257 T1258A1250-R1254 PolarHBondContact O-N 3.42Å; E1251-R1254 PolarHBondContact O-N 2.98Å; E1251-R1254 IonicContact OE1-CZ 3.5Å; E1251-R1254 IonicContact OE1-NE 2.83Å; E1251-R1254 IonicContact OE1-NH2 3.31Å; E1251-R1254 PolarHBondContact OE1-NH2 3.03Å; E1251-R1254 IonicContact OE2-CZ 2.91Å; E1251-R1254 IonicContact OE2-NE 2.76Å; E1251-R1254 PolarHBondContact OE2-NE 3.34Å; E1251-R1254 IonicContact OE2-NH2 3.62Å; E1251-R1254 PolarHBondContact OE2-NH2 3.42Å; R1254-Q1257 WeakPolarHBondContact O-CB 3.49Å; R1254-Q1257 PolarHBondContact O-N 3.07Å; R1254-T1258 PolarHBondContact O-N 2.97Å; R1254-T1258 PolarHBondContact O-OG1 3.35Å
1255Q68.9Low73.4Confident108 Ų10868.7 Ų68.751%0.50533%0.332SS..Hα-helixtrans-61.9-45.6174.6-71.4176.62.500111.2E1251 Q1257 T1258 E1259E1251-Q1255 HydrophobicContact CG-CG 4.49Å; E1251-Q1255 WeakPolarHBondContact O-CG 3.42Å; E1251-Q1255 PolarHBondContact O-N 2.87Å; E1251-Q1255 WeakPolarHBondContact OE1-CG 3.31Å; E1251-Q1255 PolarHBondContact OE1-NE2 2.93Å; Q1255-Q1257 VanDerWaalsContact C-N 3.29Å; Q1255-Q1257 PolarHBondContact O-N 3.41Å; Q1255-T1258 PolarHBondContact O-N 3.5Å; Q1255-E1259 WeakPolarHBondContact O-CB 3.43Å; Q1255-E1259 PolarHBondContact O-N 2.6Å
1256S78.4Confident73.4Confident6 Ų667.4 Ų67.44%0.04233%0.327CS..Hα-helixtrans-62.5-35.3177.4-54.20000112.1K1252 L1253 L1260K1252-S1256 WeakPolarHBondContact O-CB 3.31Å; K1252-S1256 PolarHBondContact O-N 3.45Å; K1252-S1256 VanDerWaalsContact O-N 3.1Å; K1252-S1256 PolarHBondContact O-OG 3.01Å; L1253-S1256 PolarHBondContact O-N 2.96Å; S1256-L1260 VanDerWaalsContact O-CB 3.32Å; S1256-L1260 WeakPolarHBondContact O-CB 3.37Å; S1256-L1260 PolarHBondContact O-N 3.34Å
1257Q79.4Confident73.4Confident86 Ų8665.3 Ų65.340%0.40232%0.317SS..Hα-helixtrans-66.4-45173.9-81.7174.9-47.900113.1M1225 L1253 R1254 Q1255 E1259 L1260 Q1261M1225-Q1257 HydrophobicContact CE-CB 4.46Å; M1225-Q1257 HydrophobicContact CE-CG 3.29Å; M1225-Q1257 HydrophobicContact SD-CG 3.99Å; L1253-Q1257 WeakPolarHBondContact O-CG 3.46Å; L1253-Q1257 PolarHBondContact O-N 3.41Å; R1254-Q1257 WeakPolarHBondContact O-CB 3.49Å; R1254-Q1257 PolarHBondContact O-N 3.07Å; Q1255-Q1257 VanDerWaalsContact C-N 3.29Å; Q1255-Q1257 PolarHBondContact O-N 3.41Å; Q1257-E1259 VanDerWaalsContact C-N 3.31Å; Q1257-E1259 PolarHBondContact O-N 3.36Å; Q1257-L1260 WeakPolarHBondContact O-CB 3.34Å; Q1257-L1260 PolarHBondContact O-N 2.99Å; Q1257-Q1261 PolarHBondContact O-N 3.38Å
1258T68Low73.5Confident64 Ų6466.9 Ų66.939%0.39333%0.325SS..Hα-helixtrans-64.5-41178.7-53.50000110.5R1254 Q1255 Q1261 K1262R1254-T1258 PolarHBondContact O-N 2.97Å; R1254-T1258 PolarHBondContact O-OG1 3.35Å; Q1255-T1258 PolarHBondContact O-N 3.5Å; T1258-Q1261 PolarHBondContact O-N 3.15Å; T1258-K1262 PolarHBondContact O-N 3.45Å; T1258-K1262 VanDerWaalsContact O-N 3.13Å
1259E71.4Confident73.6Confident80 Ų8064.8 Ų64.837%0.37432%0.317SS..Hα-helixtrans-65.4-39175.3-166.4173.9-179.700111.8K1217 L1221 Q1255 Q1257 Q1261 K1262 V1263K1217-E1259 WeakPolarHBondContact CE-OE1 3.45Å; K1217-E1259 IonicContact NZ-OE1 3.61Å; K1217-E1259 PolarHBondContact NZ-OE1 2.88Å; L1221-E1259 HydrophobicContact CD1-CB 4.32Å; L1221-E1259 HydrophobicContact CD1-CG 4.01Å; Q1255-E1259 WeakPolarHBondContact O-CB 3.43Å; Q1255-E1259 PolarHBondContact O-N 2.6Å; Q1257-E1259 VanDerWaalsContact C-N 3.31Å; Q1257-E1259 PolarHBondContact O-N 3.36Å; E1259-Q1261 PolarHBondContact O-N 3.14Å; E1259-K1262 PolarHBondContact O-N 3.34Å; E1259-V1263 WeakPolarHBondContact O-CB 3.37Å; E1259-V1263 VanDerWaalsContact O-CG2 3.26Å; E1259-V1263 WeakPolarHBondContact O-CG2 3.4Å; E1259-V1263 PolarHBondContact O-N 2.83Å
1260L81.4Confident73.1Confident28 Ų2864.3 Ų64.315%0.14731%0.314CS..Hα-helixtrans-62-41174.9-174.669.4000112.3K1218 L1221 E1222 M1225 S1256 Q1257 V1263 T1264K1218-L1260 HydrophobicContact CB-CD1 4.28Å; K1218-L1260 HydrophobicContact CG-CD1 3.53Å; L1221-L1260 HydrophobicContact CB-CD1 4.12Å; E1222-L1260 HydrophobicContact CG-CD1 3.96Å; E1222-L1260 HydrophobicContact CG-CD2 4.06Å; M1225-L1260 HydrophobicContact CE-CD2 4.39Å; M1225-L1260 HydrophobicContact SD-CD2 4.04Å; S1256-L1260 VanDerWaalsContact O-CB 3.32Å; S1256-L1260 WeakPolarHBondContact O-CB 3.37Å; S1256-L1260 PolarHBondContact O-N 3.34Å; Q1257-L1260 WeakPolarHBondContact O-CB 3.34Å; Q1257-L1260 PolarHBondContact O-N 2.99Å; L1260-V1263 PolarHBondContact O-N 2.96Å; L1260-T1264 WeakPolarHBondContact O-CB 3.45Å; L1260-T1264 PolarHBondContact O-N 3.21Å; L1260-T1264 PolarHBondContact O-OG1 3.39Å
1261Q74.3Confident72.8Confident118 Ų11867.4 Ų67.455%0.55132%0.319SS*.Hα-helixtrans-62.2-49.4176.2-176.2178-8.200111Q1257 T1258 E1259 V1263 T1264 E1265Q1257-Q1261 PolarHBondContact O-N 3.38Å; T1258-Q1261 PolarHBondContact O-N 3.15Å; E1259-Q1261 PolarHBondContact O-N 3.14Å; Q1261-V1263 VanDerWaalsContact C-N 3.34Å; Q1261-V1263 PolarHBondContact O-N 3.46Å; Q1261-T1264 WeakPolarHBondContact O-CB 3.47Å; Q1261-T1264 PolarHBondContact O-N 3.27Å; Q1261-E1265 WeakPolarHBondContact CG-OE1 3.13Å; Q1261-E1265 PolarHBondContact NE2-OE1 3.48Å; Q1261-E1265 WeakPolarHBondContact O-CG 3.47Å; Q1261-E1265 PolarHBondContact O-N 3.45Å
1262K69.5Low72.6Confident139 Ų13971.9 Ų71.960%0.60434%0.338SS*.Hα-helixtrans-60.1-41.3176.2-70.5-174.2176.4-167.60112.8T1258 E1259 T1264 A1266T1258-K1262 PolarHBondContact O-N 3.45Å; T1258-K1262 VanDerWaalsContact O-N 3.13Å; E1259-K1262 PolarHBondContact O-N 3.34Å; K1262-T1264 VanDerWaalsContact C-N 3.29Å; K1262-T1264 PolarHBondContact O-N 3.44Å; K1262-A1266 VanDerWaalsContact O-CB 3.27Å; K1262-A1266 WeakPolarHBondContact O-CB 3.45Å; K1262-A1266 PolarHBondContact O-N 2.74Å
1263V72.7Confident72Confident8 Ų869.9 Ų69.95%0.04833%0.331CS..Hα-helixtrans-63.7-37175.2167.70000110.8L1214 K1217 K1218 L1221 E1259 L1260 Q1261 I1267L1214-V1263 HydrophobicContact CB-CG1 4.21Å; L1214-V1263 HydrophobicContact CD2-CG1 4.15Å; L1214-V1263 HydrophobicContact CD2-CG2 4.4Å; L1214-V1263 WeakPolarHBondContact O-CG1 3.4Å; K1217-V1263 HydrophobicContact CD-CG2 4.16Å; K1218-V1263 HydrophobicContact CB-CG1 4.06Å; L1221-V1263 HydrophobicContact CD1-CG2 4.31Å; E1259-V1263 WeakPolarHBondContact O-CB 3.37Å; E1259-V1263 VanDerWaalsContact O-CG2 3.26Å; E1259-V1263 WeakPolarHBondContact O-CG2 3.4Å; E1259-V1263 PolarHBondContact O-N 2.83Å; L1260-V1263 PolarHBondContact O-N 2.96Å; Q1261-V1263 VanDerWaalsContact C-N 3.34Å; Q1261-V1263 PolarHBondContact O-N 3.46Å; V1263-I1267 HydrophobicContact CG1-CD1 3.94Å; V1263-I1267 WeakPolarHBondContact O-CD1 3.43Å; V1263-I1267 WeakPolarHBondContact O-CG1 3.47Å; V1263-I1267 PolarHBondContact O-N 3.39Å
1264T75.6Confident70.9Confident39 Ų3976 Ų7624%0.23936%0.36CS..Hα-helixtrans-69.9-46.2178.1-57.30000111.8L1260 Q1261 K1262 A1266 I1267 E1268L1260-T1264 WeakPolarHBondContact O-CB 3.45Å; L1260-T1264 PolarHBondContact O-N 3.21Å; L1260-T1264 PolarHBondContact O-OG1 3.39Å; Q1261-T1264 WeakPolarHBondContact O-CB 3.47Å; Q1261-T1264 PolarHBondContact O-N 3.27Å; K1262-T1264 VanDerWaalsContact C-N 3.29Å; K1262-T1264 PolarHBondContact O-N 3.44Å; T1264-A1266 VanDerWaalsContact C-N 3.31Å; T1264-A1266 PolarHBondContact O-N 3.1Å; T1264-I1267 WeakPolarHBondContact O-CB 3.37Å; T1264-I1267 PolarHBondContact O-N 3.42Å; T1264-E1268 PolarHBondContact O-N 3.02Å
1265E70.5Confident70.8Confident90 Ų9073.1 Ų73.142%0.42135%0.353SS..Hα-helixtrans-60.3-41.1174.1-71.4168.3-170.300111.3Q1261 E1268 N1269Q1261-E1265 WeakPolarHBondContact CG-OE1 3.13Å; Q1261-E1265 PolarHBondContact NE2-OE1 3.48Å; Q1261-E1265 WeakPolarHBondContact O-CG 3.47Å; Q1261-E1265 PolarHBondContact O-N 3.45Å; E1265-E1268 PolarHBondContact O-N 2.94Å; E1265-N1269 WeakPolarHBondContact O-CB 3.4Å; E1265-N1269 PolarHBondContact O-N 3.25Å; E1265-N1269 PolarHBondContact O-ND2 2.82Å
1266A64.3Low70.8Confident21 Ų2171.2 Ų71.217%0.17435%0.345CS..Hα-helixtrans-62-43.2173.900000112L1214 K1262 T1264 N1269 F1270L1214-A1266 HydrophobicContact CD1-CB 4.08Å; K1262-A1266 VanDerWaalsContact O-CB 3.27Å; K1262-A1266 WeakPolarHBondContact O-CB 3.45Å; K1262-A1266 PolarHBondContact O-N 2.74Å; T1264-A1266 VanDerWaalsContact C-N 3.31Å; T1264-A1266 PolarHBondContact O-N 3.1Å; A1266-N1269 PolarHBondContact O-N 2.98Å; A1266-F1270 WeakPolarHBondContact O-CD2 3.39Å; A1266-F1270 PolarHBondContact O-N 2.97Å
1267I72.1Confident70.4Confident7 Ų774.8 Ų74.84%0.03636%0.362CS..Hα-helixtrans-61.2-43.7175.3-70.7161000111.2V1211 L1214 M1215 K1218 V1263 T1264 F1270 K1271V1211-I1267 HydrophobicContact CG1-CG2 4.43Å; L1214-I1267 HydrophobicContact CB-CD1 3.92Å; L1214-I1267 HydrophobicContact CB-CG1 3.55Å; L1214-I1267 HydrophobicContact CD1-CG1 4.17Å; M1215-I1267 HydrophobicContact CE-CG2 4.24Å; M1215-I1267 HydrophobicContact CG-CD1 4.24Å; M1215-I1267 HydrophobicContact SD-CD1 3.99Å; K1218-I1267 HydrophobicContact CB-CD1 4.38Å; K1218-I1267 HydrophobicContact CD-CD1 4.17Å; V1263-I1267 HydrophobicContact CG1-CD1 3.94Å; V1263-I1267 WeakPolarHBondContact O-CD1 3.43Å; V1263-I1267 WeakPolarHBondContact O-CG1 3.47Å; V1263-I1267 PolarHBondContact O-N 3.39Å; T1264-I1267 WeakPolarHBondContact O-CB 3.37Å; T1264-I1267 PolarHBondContact O-N 3.42Å; I1267-F1270 PolarHBondContact O-N 2.97Å; I1267-K1271 HydrophobicContact CG2-CD 4.25Å; I1267-K1271 WeakPolarHBondContact O-CG 3.46Å; I1267-K1271 PolarHBondContact O-N 2.9Å
1268E73.1Confident69.9Low110 Ų11074.2 Ų74.251%0.51436%0.36SS..Hα-helixtrans-63.3-41.2177.3-74.5-177.9-178.700112.1T1264 E1265 K1271 K1272T1264-E1268 PolarHBondContact O-N 3.02Å; E1265-E1268 PolarHBondContact O-N 2.94Å; E1268-K1271 PolarHBondContact O-N 3.05Å; E1268-K1272 WeakPolarHBondContact O-CG 3.14Å; E1268-K1272 PolarHBondContact O-N 3.04Å; E1268-K1272 VanDerWaalsContact O-N 3.17Å
1269N67.5Low70Confident67 Ų6774.8 Ų74.836%0.35836%0.357SS..Hα-helixtrans-65.6-43.6175.9-73.7-21.3000111.7E1265 A1266 K1271 K1272 M1273E1265-N1269 WeakPolarHBondContact O-CB 3.4Å; E1265-N1269 PolarHBondContact O-N 3.25Å; E1265-N1269 PolarHBondContact O-ND2 2.82Å; A1266-N1269 PolarHBondContact O-N 2.98Å; N1269-K1271 VanDerWaalsContact C-N 3.31Å; N1269-K1271 PolarHBondContact O-N 3.09Å; N1269-K1272 PolarHBondContact O-N 2.7Å; N1269-K1272 VanDerWaalsContact O-N 3.15Å; N1269-M1273 WeakPolarHBondContact O-CG 2.96Å; N1269-M1273 PolarHBondContact O-N 3.25Å
1270F69.2Low69.9Low7 Ų774.5 Ų74.53%0.03136%0.356CS..Hα-helixtrans-62.5-37175.1-81.6-61.2000112.8Y1135 I1205 V1207 E1210 V1211 L1214 A1266 I1267 K1272 M1273 M1274Y1135-F1270 AromaticContact CD1-CE1 3.94Å; Y1135-F1270 HydrophobicContact CD1-CE1 3.94Å; Y1135-F1270 HydrophobicContact CD1-CE2 4.09Å; Y1135-F1270 AromaticContact CD1-CZ 3.49Å; Y1135-F1270 HydrophobicContact CD1-CZ 3.49Å; Y1135-F1270 VanDerWaalsContact CD1-CZ 3.49Å; Y1135-F1270 HydrophobicContact CE1-CE1 4.23Å; Y1135-F1270 HydrophobicContact CE1-CE2 4.38Å; Y1135-F1270 HydrophobicContact CE1-CZ 4.03Å; I1205-F1270 HydrophobicContact CD1-CE1 4.06Å; I1205-F1270 HydrophobicContact CD1-CZ 4.27Å; I1205-F1270 HydrophobicContact CG2-CE1 3.87Å; I1205-F1270 HydrophobicContact CG2-CZ 4.29Å; V1207-F1270 HydrophobicContact CG1-CB 4.08Å; V1207-F1270 HydrophobicContact CG1-CD1 4.23Å; V1207-F1270 VanDerWaalsContact CG1-O 3.24Å; V1207-F1270 WeakPolarHBondContact CG1-O 3.32Å; E1210-F1270 HydrophobicContact CB-CZ 4.46Å; V1211-F1270 HydrophobicContact CG2-CB 3.52Å; V1211-F1270 HydrophobicContact CG2-CG 4.37Å; L1214-F1270 HydrophobicContact CD1-CD2 3.57Å; L1214-F1270 HydrophobicContact CD1-CE2 3.55Å; A1266-F1270 WeakPolarHBondContact O-CD2 3.39Å; A1266-F1270 PolarHBondContact O-N 2.97Å; I1267-F1270 PolarHBondContact O-N 2.97Å; F1270-K1272 VanDerWaalsContact C-N 3.29Å; F1270-K1272 PolarHBondContact O-N 2.71Å; F1270-M1273 PolarHBondContact O-N 2.59Å; F1270-M1273 VanDerWaalsContact O-N 3.11Å; F1270-M1274 PolarHBondContact O-N 3.13Å
1271K69Low69.1Low110 Ų11077.8 Ų77.848%0.47837%0.371SS..Hα-helixtrans-65.8-28.3174.6-76.6178.2176.9-174.90113.8I1267 E1268 N1269 M1273I1267-K1271 HydrophobicContact CG2-CD 4.25Å; I1267-K1271 WeakPolarHBondContact O-CG 3.46Å; I1267-K1271 PolarHBondContact O-N 2.9Å; E1268-K1271 PolarHBondContact O-N 3.05Å; N1269-K1271 VanDerWaalsContact C-N 3.31Å; N1269-K1271 PolarHBondContact O-N 3.09Å; K1271-M1273 VanDerWaalsContact C-N 3.27Å
1272K66.6Low68.7Low161 Ų16174.7 Ų74.770%0.736%0.358SS*.THydrogen-bonded Turntrans-76.6-13.7173.2-70.2173.8-177.4171.10113.2E1268 N1269 F1270E1268-K1272 WeakPolarHBondContact O-CG 3.14Å; E1268-K1272 PolarHBondContact O-N 3.04Å; E1268-K1272 VanDerWaalsContact O-N 3.17Å; N1269-K1272 PolarHBondContact O-N 2.7Å; N1269-K1272 VanDerWaalsContact O-N 3.15Å; F1270-K1272 VanDerWaalsContact C-N 3.29Å; F1270-K1272 PolarHBondContact O-N 2.71Å
1273M62.8Low68.6Low61 Ų6169.3 Ų69.330%0.334%0.337SS..  trans-96.7-7.4178.4-61.6-177.982.600113.2G1185 L1201 N1269 F1270 K1271G1185-M1273 VanDerWaalsContact O-CE 3.31Å; G1185-M1273 WeakPolarHBondContact O-CE 3.38Å; L1201-M1273 HydrophobicContact CB-CE 3.74Å; L1201-M1273 HydrophobicContact CD1-CE 3.88Å; L1201-M1273 HydrophobicContact CD1-SD 4.1Å; L1201-M1273 HydrophobicContact CG-CE 4.17Å; N1269-M1273 WeakPolarHBondContact O-CG 2.96Å; N1269-M1273 PolarHBondContact O-N 3.25Å; F1270-M1273 PolarHBondContact O-N 2.59Å; F1270-M1273 VanDerWaalsContact O-N 3.11Å; K1271-M1273 VanDerWaalsContact C-N 3.27Å
1274M60.4Low68.3Low151 Ų15174.9 Ų74.974%0.74436%0.363SS*.  trans-79.60162.8-61.3-176.471.200109.1V1207 E1208 F1270V1207-M1274 HydrophobicContact CB-CG 4.32Å; V1207-M1274 HydrophobicContact CG1-CG 3.51Å; V1207-M1274 HydrophobicContact CG1-SD 4.28Å; E1208-M1274 HydrophobicContact CG-CE 3.78Å; F1270-M1274 PolarHBondContact O-N 3.13Å

Retrieved 1,274 of 1,274 residues in 678.4 ms (Link to these results)

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