A0A087XWT9_POEFO Loading...

Metaxin-2

Involved in transport of proteins into the mitochondrion.

AlphaFold DB , UniProt , Accession A0A087XWT9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 234 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
1M40.5Very low77.8Confident163 Ų16359.4 Ų59.480%0.80330%0.303SS*.  0-33.40-103.1-178.6-171.300111.1D3 Q4 C31M1-D3 PolarHBondContact O-N 2.95Å; M1-Q4 PolarHBondContact O-N 3.2Å; M1-C31 HydrophobicContact SD-CB 4.28Å
2D49.5Very low79.4Confident138 Ų13856.5 Ų56.574%0.73829%0.292SS*.G310 helixtrans-62.4-21.1175.5-60.3-21.3000114Q4D2-Q4 PolarHBondContact O-N 3.14Å
3D58.2Low80.7Confident134 Ų13453.5 Ų53.572%0.71728%0.279SS*.G310 helixtrans-71.5-7.2179.9-63.4-42.1000115.2M1 R116M1-D3 PolarHBondContact O-N 2.95Å; D3-R116 WeakPolarHBondContact O-CD 3.43Å; D3-R116 WeakPolarHBondContact O-CG 3.4Å
4Q70.9Confident81.8Confident82 Ų8250.6 Ų50.638%0.38326%0.264SS..G310 helixtrans-103.6-18.5-173.9-64.5-177.5-13.800114M1 D2 S119M1-Q4 PolarHBondContact O-N 3.2Å; D2-Q4 PolarHBondContact O-N 3.14Å; Q4-S119 WeakPolarHBondContact CG-OG 3.46Å
5I82.3Confident82.9Confident52 Ų5247.3 Ų47.327%0.26725%0.247SC..  trans-76.1135-176.7-161.5166.3000110.7D9 H10I5-D9 HydrophobicContact CD1-CB 4.5Å; I5-D9 HydrophobicContact CG1-CB 4.01Å; I5-H10 HydrophobicContact CD1-CB 3.84Å; I5-H10 HydrophobicContact CG1-CB 3.92Å; I5-H10 HydrophobicContact CG2-CB 3.94Å
6L88.7Confident83.9Confident5 Ų544.7 Ų44.73%0.02623%0.233CC..  trans-77.6150.6174.9-76.1179.9000110S8 D9 H10 Q102 W103 R116 Y117L6-S8 PolarHBondContact O-N 2.96Å; L6-D9 HydrophobicContact CB-CB 4.27Å; L6-D9 WeakPolarHBondContact CB-OD2 3.49Å; L6-D9 PolarHBondContact O-N 3.45Å; L6-H10 WeakPolarHBondContact O-CB 3.33Å; L6-H10 PolarHBondContact O-N 2.98Å; L6-Q102 VanDerWaalsContact CB-NE2 3.28Å; L6-W103 HydrophobicContact CD1-CZ2 3.58Å; L6-R116 HydrophobicContact CD2-CB 4.26Å; L6-Y117 HydrophobicContact CD1-CD2 3.79Å
7L90.3Very high84.7Confident2 Ų244.2 Ų44.21%0.0123%0.229CC..Hα-helixtrans-48.7-57.6180-178.578000112.2D9 H10 A11 E98 Q102 T193 T197 L199 L204L7-D9 VanDerWaalsContact C-N 3.34Å; L7-D9 PolarHBondContact O-N 3.33Å; L7-H10 PolarHBondContact O-N 2.68Å; L7-A11 PolarHBondContact O-N 3.46Å; L7-E98 HydrophobicContact CD2-CB 3.82Å; L7-E98 HydrophobicContact CD2-CG 3.71Å; L7-E98 HydrophobicContact CG-CB 4.29Å; L7-E98 HydrophobicContact CG-CG 4.07Å; L7-Q102 HydrophobicContact CB-CG 4.06Å; L7-Q102 HydrophobicContact CD2-CG 4.42Å; L7-T193 HydrophobicContact CD1-CG2 3.6Å; L7-T193 HydrophobicContact CG-CG2 4.21Å; L7-T193 VanDerWaalsContact O-CG2 3.27Å; L7-T193 WeakPolarHBondContact O-CG2 3.36Å; L7-T197 HydrophobicContact CB-CG2 4.45Å; L7-T197 HydrophobicContact CD1-CG2 3.57Å; L7-T197 WeakPolarHBondContact CD1-OG1 3.31Å; L7-L199 HydrophobicContact CD2-CD1 3.96Å; L7-L199 HydrophobicContact CD2-CD2 4.25Å; L7-L204 HydrophobicContact CD2-CD2 4.35Å
8S92.9Very high85.4Confident5 Ų541.7 Ų41.74%0.03522%0.217CC..Hα-helixtrans-63.6-36.1-178.848.40000114L6 S12 E98 L99 Q102L6-S8 PolarHBondContact O-N 2.96Å; S8-S12 WeakPolarHBondContact O-CB 3.22Å; S8-S12 PolarHBondContact O-N 3.33Å; S8-S12 PolarHBondContact O-OG 3.41Å; S8-E98 WeakPolarHBondContact CA-OE2 3.36Å; S8-L99 WeakPolarHBondContact OG-CD2 3.49Å; S8-Q102 VanDerWaalsContact CB-OE1 3.31Å; S8-Q102 VanDerWaalsContact N-OE1 3.15Å; S8-Q102 PolarHBondContact OG-OE1 3.27Å
9D92.6Very high86.1Confident22 Ų2239.5 Ų39.512%0.11821%0.205CC..Hα-helixtrans-69.7-38.2176.2-68.4-31.8000111.6I5 L6 L7 S13 I44I5-D9 HydrophobicContact CD1-CB 4.5Å; I5-D9 HydrophobicContact CG1-CB 4.01Å; L6-D9 HydrophobicContact CB-CB 4.27Å; L6-D9 WeakPolarHBondContact CB-OD2 3.49Å; L6-D9 PolarHBondContact O-N 3.45Å; L7-D9 VanDerWaalsContact C-N 3.34Å; L7-D9 PolarHBondContact O-N 3.33Å; D9-S13 WeakPolarHBondContact O-CB 3.17Å; D9-S13 PolarHBondContact O-N 3.45Å; D9-S13 PolarHBondContact O-OG 3.28Å; D9-I44 HydrophobicContact CB-CD1 3.64Å; D9-I44 HydrophobicContact CB-CG1 3.85Å; D9-I44 WeakPolarHBondContact OD1-CG1 3.47Å
10H93.6Very high86.7Confident50 Ų5038.4 Ų38.423%0.23120%0.199CC..Hα-helixtrans-66.2-43.9175.6-173.7-152.3000111I5 L6 L7 S13 L14 T193I5-H10 HydrophobicContact CD1-CB 3.84Å; I5-H10 HydrophobicContact CG1-CB 3.92Å; I5-H10 HydrophobicContact CG2-CB 3.94Å; L6-H10 WeakPolarHBondContact O-CB 3.33Å; L6-H10 PolarHBondContact O-N 2.98Å; L7-H10 PolarHBondContact O-N 2.68Å; H10-S13 PolarHBondContact O-N 2.8Å; H10-L14 WeakPolarHBondContact NE2-CD1 3.45Å; H10-L14 WeakPolarHBondContact O-CB 3.4Å; H10-L14 PolarHBondContact O-N 2.9Å; H10-T193 HydrophobicContact CB-CG2 3.92Å
11A96.5Very high87.2Confident0 Ų038.5 Ų38.50%020%0.197CC..Hα-helixtrans-58.5-53.517600000111.3L7 S13 L14 S15 E98 H190 T193L7-A11 PolarHBondContact O-N 3.46Å; A11-S13 VanDerWaalsContact C-N 3.27Å; A11-S13 PolarHBondContact O-N 3.04Å; A11-L14 PolarHBondContact O-N 2.93Å; A11-S15 PolarHBondContact O-N 3.49Å; A11-S15 PolarHBondContact O-OG 3.21Å; A11-S15 VanDerWaalsContact O-OG 3.04Å; A11-E98 WeakPolarHBondContact CB-OE2 3.46Å; A11-H190 WeakPolarHBondContact CB-ND1 3.37Å; A11-T193 VanDerWaalsContact CA-OG1 3.28Å; A11-T193 WeakPolarHBondContact CA-OG1 3.36Å; A11-T193 HydrophobicContact CB-CG2 4Å; A11-T193 PolarHBondContact N-OG1 2.65Å
12S96.6Very high89.9Confident25 Ų2531.6 Ų31.618%0.17516%0.163CC..Hα-helixtrans-59.6-39.6178.2-570000111.7S8 S15 V16 P45S8-S12 WeakPolarHBondContact O-CB 3.22Å; S8-S12 PolarHBondContact O-N 3.33Å; S8-S12 PolarHBondContact O-OG 3.41Å; S12-S15 PolarHBondContact O-N 3.22Å; S12-V16 PolarHBondContact O-N 3.09Å; S12-V16 VanDerWaalsContact O-N 3.15Å; S12-P45 VanDerWaalsContact C-CD 3.48Å; S12-P45 WeakPolarHBondContact O-CG 3.23Å
13S95.8Very high92.1Very high17 Ų1726.1 Ų26.112%0.11914%0.136CC..Hα-helixtrans-66.2-42.4177.7-64.40000112.4D9 H10 A11 Q17D9-S13 WeakPolarHBondContact O-CB 3.17Å; D9-S13 PolarHBondContact O-N 3.45Å; D9-S13 PolarHBondContact O-OG 3.28Å; H10-S13 PolarHBondContact O-N 2.8Å; A11-S13 VanDerWaalsContact C-N 3.27Å; A11-S13 PolarHBondContact O-N 3.04Å; S13-Q17 WeakPolarHBondContact O-CB 3.23Å; S13-Q17 VanDerWaalsContact O-CG 3.24Å; S13-Q17 WeakPolarHBondContact O-CG 3.48Å; S13-Q17 PolarHBondContact O-N 3.49Å; S13-Q17 PolarHBondContact O-NE2 2.99Å
14L96.8Very high93.9Very high14 Ų1422.8 Ų22.87%0.07313%0.132CC..Hα-helixtrans-68-36.9175.8-81178000111.8H10 A11 Q17 A18 F192 T193 F226H10-L14 WeakPolarHBondContact NE2-CD1 3.45Å; H10-L14 WeakPolarHBondContact O-CB 3.4Å; H10-L14 PolarHBondContact O-N 2.9Å; A11-L14 PolarHBondContact O-N 2.93Å; L14-Q17 PolarHBondContact O-N 2.74Å; L14-A18 VanDerWaalsContact O-CB 3.24Å; L14-A18 WeakPolarHBondContact O-CB 3.4Å; L14-A18 PolarHBondContact O-N 2.93Å; L14-F192 HydrophobicContact CD1-CD1 3.73Å; L14-F192 HydrophobicContact CD1-CE1 4.37Å; L14-T193 WeakPolarHBondContact CD1-OG1 3.44Å; L14-F226 HydrophobicContact CD2-CE1 4.14Å; L14-F226 HydrophobicContact CD2-CZ 4.49Å
15S98.4Very high95.1Very high1 Ų120.4 Ų20.41%0.00712%0.122CC..Hα-helixtrans-60.1-47.4175.1-59.80000112A11 S12 A18 Y19 A185 L186 G189A11-S15 PolarHBondContact O-N 3.49Å; A11-S15 PolarHBondContact O-OG 3.21Å; A11-S15 VanDerWaalsContact O-OG 3.04Å; S12-S15 PolarHBondContact O-N 3.22Å; S15-A18 PolarHBondContact O-N 3.12Å; S15-Y19 WeakPolarHBondContact O-CB 3.3Å; S15-Y19 PolarHBondContact O-N 2.65Å; S15-A185 WeakPolarHBondContact CA-O 3.48Å; S15-L186 PolarHBondContact OG-O 3.48Å; S15-L186 VanDerWaalsContact OG-O 3.12Å; S15-G189 WeakPolarHBondContact OG-CA 3.47Å
16V98.1Very high95.6Very high5 Ų523.7 Ų23.73%0.0315%0.147CC..Hα-helixtrans-66.7-41.3176.8172.70000111.6S12 A18 Y19 L20 P45 I47 L57 V60S12-V16 PolarHBondContact O-N 3.09Å; S12-V16 VanDerWaalsContact O-N 3.15Å; V16-A18 PolarHBondContact O-N 3.48Å; V16-Y19 PolarHBondContact O-N 3.02Å; V16-L20 HydrophobicContact CG1-CD1 3.84Å; V16-L20 HydrophobicContact CG1-CG 4.34Å; V16-L20 VanDerWaalsContact O-CG 3.29Å; V16-L20 WeakPolarHBondContact O-CG 3.44Å; V16-L20 PolarHBondContact O-N 3.22Å; V16-P45 HydrophobicContact CB-CG 3.71Å; V16-P45 HydrophobicContact CG1-CG 4.33Å; V16-P45 HydrophobicContact CG2-CG 3.45Å; V16-P45 VanDerWaalsContact CG2-CG 3.45Å; V16-I47 HydrophobicContact CG1-CG2 4.05Å; V16-L57 HydrophobicContact CG2-CB 4Å; V16-L57 HydrophobicContact CG2-CD1 4.06Å; V16-V60 HydrophobicContact CG1-CG1 4.33Å; V16-V60 HydrophobicContact CG1-CG2 4.47Å
17Q97.6Very high95.8Very high36 Ų3625.9 Ų25.917%0.16816%0.158CC..Hα-helixtrans-61.3-44.4175.7-75.8177.668.600112.2S13 L14 R21 I27 V29 F226S13-Q17 WeakPolarHBondContact O-CB 3.23Å; S13-Q17 VanDerWaalsContact O-CG 3.24Å; S13-Q17 WeakPolarHBondContact O-CG 3.48Å; S13-Q17 PolarHBondContact O-N 3.49Å; S13-Q17 PolarHBondContact O-NE2 2.99Å; L14-Q17 PolarHBondContact O-N 2.74Å; Q17-R21 WeakPolarHBondContact O-CB 3.4Å; Q17-R21 WeakPolarHBondContact O-CD 3.44Å; Q17-R21 WeakPolarHBondContact O-CG 3.41Å; Q17-R21 PolarHBondContact O-N 3Å; Q17-I27 HydrophobicContact CB-CD1 4.25Å; Q17-I27 HydrophobicContact CG-CD1 4.19Å; Q17-V29 HydrophobicContact CG-CG2 4.09Å; Q17-F226 HydrophobicContact CB-CE1 4.35Å; Q17-F226 HydrophobicContact CB-CZ 4.41Å
18A98.1Very high96Very high0 Ų034.1 Ų34.10%020%0.196CC..Hα-helixtrans-61.5-47.6177.400000110.4L14 S15 V16 L20 R21 M22 A185 F188 F226L14-A18 VanDerWaalsContact O-CB 3.24Å; L14-A18 WeakPolarHBondContact O-CB 3.4Å; L14-A18 PolarHBondContact O-N 2.93Å; S15-A18 PolarHBondContact O-N 3.12Å; V16-A18 PolarHBondContact O-N 3.48Å; A18-L20 PolarHBondContact O-N 3.14Å; A18-R21 PolarHBondContact O-N 2.92Å; A18-M22 HydrophobicContact CB-CE 4.37Å; A18-M22 WeakPolarHBondContact O-CB 3.38Å; A18-M22 WeakPolarHBondContact O-CG 3.43Å; A18-M22 PolarHBondContact O-N 3.44Å; A18-A185 HydrophobicContact CB-CB 4Å; A18-F188 HydrophobicContact CB-CD1 3.79Å; A18-F188 HydrophobicContact CB-CE1 4.31Å; A18-F226 HydrophobicContact CB-CE2 4Å; A18-F226 HydrophobicContact CB-CZ 3.92Å
19Y98.5Very high96Very high0 Ų037.7 Ų37.70%022%0.218CC..Hα-helixtrans-56.4-50.3177.9173.9-104.9000112.4S15 V16 R21 M22 C23 L57 V60 V61 T64 L71 E182S15-Y19 WeakPolarHBondContact O-CB 3.3Å; S15-Y19 PolarHBondContact O-N 2.65Å; V16-Y19 PolarHBondContact O-N 3.02Å; Y19-R21 VanDerWaalsContact C-N 3.34Å; Y19-R21 PolarHBondContact O-N 2.63Å; Y19-M22 WeakPolarHBondContact O-CB 3.35Å; Y19-M22 PolarHBondContact O-N 3.36Å; Y19-C23 VanDerWaalsContact CZ-SG 3.58Å; Y19-C23 PolarHBondContact O-N 3.41Å; Y19-C23 PolarHBondContact O-SG 2.78Å; Y19-L57 HydrophobicContact CD1-CD1 4.2Å; Y19-L57 HydrophobicContact CG-CD1 3.87Å; Y19-V60 HydrophobicContact CD1-CG1 4.01Å; Y19-V60 HydrophobicContact CE1-CG1 4.08Å; Y19-V61 HydrophobicContact CD1-CG2 4.24Å; Y19-V61 HydrophobicContact CD2-CG2 4.06Å; Y19-V61 HydrophobicContact CE1-CB 4.4Å; Y19-V61 HydrophobicContact CE1-CG2 3.86Å; Y19-V61 HydrophobicContact CE2-CB 4.49Å; Y19-V61 HydrophobicContact CE2-CG1 4.49Å; Y19-V61 HydrophobicContact CE2-CG2 3.68Å; Y19-V61 HydrophobicContact CG-CG2 4.33Å; Y19-T64 HydrophobicContact CE1-CG2 4.04Å; Y19-T64 WeakPolarHBondContact CE1-OG1 3.43Å; Y19-T64 PolarHBondContact OH-OG1 3.16Å; Y19-L71 HydrophobicContact CD2-CD1 3.54Å; Y19-L71 HydrophobicContact CD2-CG 4.35Å; Y19-L71 HydrophobicContact CE2-CD1 3.59Å; Y19-L71 HydrophobicContact CE2-CG 3.89Å; Y19-E182 HydrophobicContact CD2-CB 3.87Å; Y19-E182 HydrophobicContact CE2-CB 3.96Å
20L97.9Very high96Very high16 Ų1640.1 Ų40.18%0.08423%0.234CC..Hα-helixtrans-65.5-38.1-179.7-65.7169.4000112V16 A18 C23 G24 L25 I27 I47 V60 T64V16-L20 HydrophobicContact CG1-CD1 3.84Å; V16-L20 HydrophobicContact CG1-CG 4.34Å; V16-L20 VanDerWaalsContact O-CG 3.29Å; V16-L20 WeakPolarHBondContact O-CG 3.44Å; V16-L20 PolarHBondContact O-N 3.22Å; A18-L20 PolarHBondContact O-N 3.14Å; L20-C23 WeakPolarHBondContact O-CB 3.39Å; L20-C23 PolarHBondContact O-N 3.06Å; L20-G24 PolarHBondContact O-N 2.85Å; L20-L25 HydrophobicContact CD2-CD1 3.9Å; L20-L25 WeakPolarHBondContact O-CB 3.45Å; L20-L25 PolarHBondContact O-N 3.18Å; L20-I27 HydrophobicContact CB-CG2 3.61Å; L20-I27 HydrophobicContact CD1-CG2 3.91Å; L20-I27 HydrophobicContact CG-CG2 4.38Å; L20-I47 HydrophobicContact CD1-CG2 3.91Å; L20-V60 HydrophobicContact CD2-CG1 4.03Å; L20-T64 HydrophobicContact CD2-CG2 3.92Å
21R97.3Very high95.7Very high42 Ų4241 Ų4116%0.15825%0.245CC..Hα-helixtrans-65.6-41.2174.4-73.5167.2-179.9-117.18111.8Q17 A18 Y19 C23 G24 I27 Y225 F226Q17-R21 WeakPolarHBondContact O-CB 3.4Å; Q17-R21 WeakPolarHBondContact O-CD 3.44Å; Q17-R21 WeakPolarHBondContact O-CG 3.41Å; Q17-R21 PolarHBondContact O-N 3Å; A18-R21 PolarHBondContact O-N 2.92Å; Y19-R21 VanDerWaalsContact C-N 3.34Å; Y19-R21 PolarHBondContact O-N 2.63Å; R21-C23 VanDerWaalsContact C-N 3.26Å; R21-C23 PolarHBondContact O-N 3.04Å; R21-G24 WeakPolarHBondContact O-CA 3.35Å; R21-G24 PolarHBondContact O-N 2.95Å; R21-I27 HydrophobicContact CG-CD1 3.83Å; R21-I27 HydrophobicContact CG-CG1 4.38Å; R21-Y225 WeakPolarHBondContact CD-O 3.44Å; R21-Y225 PolarHBondContact NH1-O 3.35Å; R21-F226 VanDerWaalsContact CZ-CD1 3.45Å
22M97.1Very high95.3Very high18 Ų1848 Ų489%0.08927%0.271CS..Hα-helixtrans-62.4-35174.9-72.2167.2178.800111.6A18 Y19 G24 L71 A180 D184 A185 I221 Y225A18-M22 HydrophobicContact CB-CE 4.37Å; A18-M22 WeakPolarHBondContact O-CB 3.38Å; A18-M22 WeakPolarHBondContact O-CG 3.43Å; A18-M22 PolarHBondContact O-N 3.44Å; Y19-M22 WeakPolarHBondContact O-CB 3.35Å; Y19-M22 PolarHBondContact O-N 3.36Å; M22-G24 PolarHBondContact O-N 2.91Å; M22-L71 HydrophobicContact CB-CD1 3.64Å; M22-L71 HydrophobicContact CB-CD2 4.18Å; M22-L71 HydrophobicContact SD-CD1 4.34Å; M22-A180 HydrophobicContact CE-CB 3.97Å; M22-A180 HydrophobicContact CG-CB 3.98Å; M22-A180 HydrophobicContact SD-CB 3.62Å; M22-D184 HydrophobicContact CE-CB 4.27Å; M22-A185 HydrophobicContact CE-CB 4.36Å; M22-A185 HydrophobicContact SD-CB 3.8Å; M22-I221 HydrophobicContact CE-CD1 3.75Å; M22-I221 HydrophobicContact CE-CG1 4.03Å; M22-I221 HydrophobicContact CE-CG2 3.78Å; M22-Y225 HydrophobicContact CB-CE1 4.18Å; M22-Y225 HydrophobicContact CE-CD2 4.15Å; M22-Y225 HydrophobicContact CE-CE2 4.04Å; M22-Y225 HydrophobicContact CG-CD1 4.01Å; M22-Y225 HydrophobicContact CG-CD2 4.12Å; M22-Y225 HydrophobicContact CG-CE1 3.74Å; M22-Y225 HydrophobicContact CG-CE2 3.85Å; M22-Y225 HydrophobicContact CG-CG 4.19Å
23C96.3Very high94.6Very high23 Ų2353.8 Ų53.816%0.15529%0.29CS..THydrogen-bonded Turntrans-69.5-3.8171.6-65.20000113.8Y19 L20 R21 L25Y19-C23 VanDerWaalsContact CZ-SG 3.58Å; Y19-C23 PolarHBondContact O-N 3.41Å; Y19-C23 PolarHBondContact O-SG 2.78Å; L20-C23 WeakPolarHBondContact O-CB 3.39Å; L20-C23 PolarHBondContact O-N 3.06Å; R21-C23 VanDerWaalsContact C-N 3.26Å; R21-C23 PolarHBondContact O-N 3.04Å; C23-L25 HydrophobicContact CB-CD1 3.88Å; C23-L25 HydrophobicContact CB-CG 3.83Å; C23-L25 PolarHBondContact O-N 3.43Å
24G95.3Very high94Very high63 Ų6355.5 Ų55.565%0.64930%0.298SS*.THydrogen-bonded Turntrans71.915.7-175.300000114L20 R21 M22L20-G24 PolarHBondContact O-N 2.85Å; R21-G24 WeakPolarHBondContact O-CA 3.35Å; R21-G24 PolarHBondContact O-N 2.95Å; M22-G24 PolarHBondContact O-N 2.91Å
25L95.4Very high93.5Very high33 Ų3355.5 Ų55.517%0.17330%0.3CS..  trans-81.4141.9-175.2-64.2172.5000111.7L20 C23 I27 T64L20-L25 HydrophobicContact CD2-CD1 3.9Å; L20-L25 WeakPolarHBondContact O-CB 3.45Å; L20-L25 PolarHBondContact O-N 3.18Å; C23-L25 HydrophobicContact CB-CD1 3.88Å; C23-L25 HydrophobicContact CB-CG 3.83Å; C23-L25 PolarHBondContact O-N 3.43Å; L25-I27 PolarHBondContact O-N 2.8Å; L25-T64 HydrophobicContact CD1-CG2 3.94Å
26P92.7Very high93Very high121 Ų12156.4 Ų56.479%0.78630%0.304SS*.  trans-69.1130.917029.4-32.7000109.3
27I94.4Very high92.5Very high51 Ų5162.6 Ų62.626%0.26233%0.328SS..  trans-129.1142.4179.365.9165.8000110.9Q17 L20 R21 L25 V29Q17-I27 HydrophobicContact CB-CD1 4.25Å; Q17-I27 HydrophobicContact CG-CD1 4.19Å; L20-I27 HydrophobicContact CB-CG2 3.61Å; L20-I27 HydrophobicContact CD1-CG2 3.91Å; L20-I27 HydrophobicContact CG-CG2 4.38Å; R21-I27 HydrophobicContact CG-CD1 3.83Å; R21-I27 HydrophobicContact CG-CG1 4.38Å; L25-I27 PolarHBondContact O-N 2.8Å; I27-V29 HydrophobicContact CD1-CG2 4.29Å
28Q94.3Very high92Very high174 Ų17465.4 Ų65.481%0.81334%0.342SS*.  trans-119.9121.4167.5-176.5-178.92.400108.3V30Q28-V30 HydrophobicContact CG-CG2 4.17Å
29V92.9Very high91.8Very high80 Ų8065.9 Ų65.949%0.48535%0.345SS..  trans-94125.7179.6-176.80000108.8Q17 I27Q17-V29 HydrophobicContact CG-CG2 4.09Å; I27-V29 HydrophobicContact CD1-CG2 4.29Å
30V91.9Very high91.3Very high74 Ų7470.2 Ų70.245%0.44837%0.374SS..  trans-128.3113.1179-176.10000109Q28 R32Q28-V30 HydrophobicContact CG-CG2 4.17Å; V30-R32 HydrophobicContact CG1-CG 4.22Å
31C88.4Confident90.9Very high69 Ų6971.8 Ų71.847%0.46639%0.386SS..  trans-80.3130.4174.8-58.60000110.1M1M1-C31 HydrophobicContact SD-CB 4.28Å
32R87.4Confident90.5Very high147 Ų14771.6 Ų71.656%0.55540%0.397SS*.  trans-134.8133176.7-64.7-65.5-175.5-127.46.6109V30 N34 A35 M38V30-R32 HydrophobicContact CG1-CG 4.22Å; R32-N34 VanDerWaalsContact C-N 3.28Å; R32-N34 PolarHBondContact O-N 3.07Å; R32-A35 HydrophobicContact CB-CB 4.2Å; R32-A35 WeakPolarHBondContact O-CB 3.2Å; R32-A35 PolarHBondContact O-N 2.76Å; R32-M38 HydrophobicContact CB-SD 4.41Å; R32-M38 HydrophobicContact CG-SD 4.48Å
33Y81.1Confident90.1Very high146 Ų14676.1 Ų76.157%0.57342%0.416SS*.THydrogen-bonded Turntrans-67.4-30.7-179.263.2-93.9000113A35 P120 Y121Y33-A35 VanDerWaalsContact C-N 3.3Å; Y33-P120 VanDerWaalsContact CB-CB 3.4Å; Y33-P120 HydrophobicContact CD2-CB 4.08Å; Y33-P120 HydrophobicContact CG-CB 3.94Å; Y33-Y121 PolarHBondContact O-OH 2.89Å
34N83.6Confident89.9Confident52 Ų5276.4 Ų76.428%0.27842%0.416SS..THydrogen-bonded Turntrans-92.817.9177.766.4-32000112.6R32 E36 Y37 M38R32-N34 VanDerWaalsContact C-N 3.28Å; R32-N34 PolarHBondContact O-N 3.07Å; N34-E36 VanDerWaalsContact C-N 3.27Å; N34-E36 PolarHBondContact O-N 3.03Å; N34-Y37 HydrophobicContact CB-CD2 4.23Å; N34-Y37 PolarHBondContact O-N 3.39Å; N34-M38 PolarHBondContact O-N 3.43Å
35A87.1Confident89.8Confident15 Ų1574.3 Ų74.312%0.12439%0.391CS..Hα-helixtrans-58.8-35.6-175.400000113R32 Y33 Y37 M38 S39 I44 F46R32-A35 HydrophobicContact CB-CB 4.2Å; R32-A35 WeakPolarHBondContact O-CB 3.2Å; R32-A35 PolarHBondContact O-N 2.76Å; Y33-A35 VanDerWaalsContact C-N 3.3Å; A35-Y37 VanDerWaalsContact C-N 3.3Å; A35-Y37 PolarHBondContact O-N 3.13Å; A35-M38 PolarHBondContact O-N 3.2Å; A35-M38 VanDerWaalsContact O-N 3.17Å; A35-S39 PolarHBondContact O-N 3.44Å; A35-S39 VanDerWaalsContact O-N 3.08Å; A35-I44 HydrophobicContact CB-CG2 3.65Å; A35-F46 HydrophobicContact CB-CE1 4.12Å; A35-F46 VanDerWaalsContact O-CE1 3.31Å; A35-F46 WeakPolarHBondContact O-CE1 3.47Å
36E86.8Confident89.8Confident20 Ų2075.1 Ų75.19%0.09339%0.393CS..Hα-helixtrans-56.7-43.7174.2-70-171.1146.900111.4N34 M38 S39 G42 I44 Y117 K133N34-E36 VanDerWaalsContact C-N 3.27Å; N34-E36 PolarHBondContact O-N 3.03Å; E36-M38 VanDerWaalsContact C-N 3.33Å; E36-M38 PolarHBondContact O-N 3.44Å; E36-S39 WeakPolarHBondContact O-CB 3.31Å; E36-S39 PolarHBondContact O-N 3.24Å; E36-G42 WeakPolarHBondContact O-CA 3.46Å; E36-I44 HydrophobicContact CG-CG2 4.29Å; E36-Y117 WeakPolarHBondContact OE2-CE2 3.38Å; E36-Y117 PolarHBondContact OE2-OH 3.4Å; E36-K133 IonicContact OE1-NZ 2.74Å; E36-K133 PolarHBondContact OE1-NZ 2.97Å
37Y87.4Confident90Very high134 Ų13470.4 Ų70.453%0.52536%0.361SS..Hα-helixtrans-74.7-20.7179.2-58.2-64.9000114.2N34 A35 Y121 L129N34-Y37 HydrophobicContact CB-CD2 4.23Å; N34-Y37 PolarHBondContact O-N 3.39Å; A35-Y37 VanDerWaalsContact C-N 3.3Å; A35-Y37 PolarHBondContact O-N 3.13Å; Y37-Y121 HydrophobicContact CE2-CE1 4.14Å; Y37-Y121 VanDerWaalsContact CE2-OH 3.3Å; Y37-Y121 WeakPolarHBondContact CE2-OH 3.44Å; Y37-L129 WeakPolarHBondContact OH-CD1 3.24Å; Y37-L129 WeakPolarHBondContact OH-CD2 3.43Å
38M89.1Confident90Very high96 Ų9674.2 Ų74.247%0.47338%0.377SS..Hα-helixtrans-81.3-21.2173.6-64.1176.567.800112R32 N34 A35 E36 F46R32-M38 HydrophobicContact CB-SD 4.41Å; R32-M38 HydrophobicContact CG-SD 4.48Å; N34-M38 PolarHBondContact O-N 3.43Å; A35-M38 PolarHBondContact O-N 3.2Å; A35-M38 VanDerWaalsContact O-N 3.17Å; E36-M38 VanDerWaalsContact C-N 3.33Å; E36-M38 PolarHBondContact O-N 3.44Å; M38-F46 HydrophobicContact CB-CE1 3.82Å; M38-F46 HydrophobicContact CB-CZ 3.59Å; M38-F46 HydrophobicContact CE-CZ 4.14Å; M38-F46 HydrophobicContact SD-CZ 4.41Å
39S92.1Very high89.9Confident9 Ų969.4 Ų69.46%0.06336%0.36CS..SBendtrans-75.6133.3-177.6-179.50000111.3A35 E36 S41 G42 K43 S55A35-S39 PolarHBondContact O-N 3.44Å; A35-S39 VanDerWaalsContact O-N 3.08Å; E36-S39 WeakPolarHBondContact O-CB 3.31Å; E36-S39 PolarHBondContact O-N 3.24Å; S39-S41 PolarHBondContact O-N 3.19Å; S39-S41 PolarHBondContact OG-N 3.43Å; S39-G42 PolarHBondContact O-N 2.97Å; S39-G42 VanDerWaalsContact O-N 3.07Å; S39-K43 WeakPolarHBondContact CB-O 3.48Å; S39-K43 PolarHBondContact OG-N 2.94Å; S39-K43 PolarHBondContact OG-O 3.45Å; S39-S55 VanDerWaalsContact OG-CB 3.32Å; S39-S55 WeakPolarHBondContact OG-CB 3.45Å
40P89.6Confident89.8Confident91 Ų9168.2 Ų68.259%0.59136%0.363SS*.THydrogen-bonded Turntrans-63-23.7177.225.9-34.1000113V53P40-V53 HydrophobicContact CG-CG1 4.13Å
41S89.4Confident89.7Confident49 Ų4972.8 Ų72.834%0.34339%0.386SS..THydrogen-bonded Turntrans-101.31.2175.767.60000114.3S39 K43 S55 E56S39-S41 PolarHBondContact O-N 3.19Å; S39-S41 PolarHBondContact OG-N 3.43Å; S41-K43 PolarHBondContact O-N 3.32Å; S41-S55 WeakPolarHBondContact CB-OG 3.4Å; S41-S55 WeakPolarHBondContact OG-CB 3.37Å; S41-S55 PolarHBondContact OG-OG 3.36Å; S41-E56 WeakPolarHBondContact CB-OE2 3.32Å; S41-E56 PolarHBondContact OG-OE2 2.83Å
42G88.6Confident90Very high38 Ų3874 Ų7439%0.39238%0.384SS..SBendtrans713.5-172.600000114.3E36 S39E36-G42 WeakPolarHBondContact O-CA 3.46Å; S39-G42 PolarHBondContact O-N 2.97Å; S39-G42 VanDerWaalsContact O-N 3.07Å
43K88.3Confident90.4Very high113 Ų11369.9 Ų69.949%0.49138%0.376SS..  trans-114144.9-179.6-57.9-173.5-156.7157.60111.6S39 S41 E56S39-K43 WeakPolarHBondContact CB-O 3.48Å; S39-K43 PolarHBondContact OG-N 2.94Å; S39-K43 PolarHBondContact OG-O 3.45Å; S41-K43 PolarHBondContact O-N 3.32Å; K43-E56 HydrophobicContact CB-CG 4.32Å; K43-E56 HydrophobicContact CD-CG 4.28Å; K43-E56 IonicContact NZ-OE1 2.74Å; K43-E56 PolarHBondContact NZ-OE1 3.27Å; K43-E56 IonicContact NZ-OE2 3.75Å
44I91.1Very high91.1Very high29 Ų2964 Ų6415%0.14936%0.355CS..SBendtrans-103.9152.4171.959.3172.7000110.3D9 A35 E36 F46D9-I44 HydrophobicContact CB-CD1 3.64Å; D9-I44 HydrophobicContact CB-CG1 3.85Å; D9-I44 WeakPolarHBondContact OD1-CG1 3.47Å; A35-I44 HydrophobicContact CB-CG2 3.65Å; E36-I44 HydrophobicContact CG-CG2 4.29Å; I44-F46 HydrophobicContact CG2-CD1 4.49Å
45P94.3Very high91.7Very high20 Ų2062 Ų6213%0.1335%0.345CS..  cis-78.3163.9-1.137.2-41.6000113.1S12 V16 E56S12-P45 VanDerWaalsContact C-CD 3.48Å; S12-P45 WeakPolarHBondContact O-CG 3.23Å; V16-P45 HydrophobicContact CB-CG 3.71Å; V16-P45 HydrophobicContact CG1-CG 4.33Å; V16-P45 HydrophobicContact CG2-CG 3.45Å; V16-P45 VanDerWaalsContact CG2-CG 3.45Å; P45-E56 PolarHBondContact O-N 3.33Å; P45-E56 VanDerWaalsContact O-N 3.16Å
46F95.3Very high92.1Very high49 Ų4964.4 Ų64.422%0.21535%0.353CS..EExtended strand (participates in β ladder)trans-132155.4161.868.8-90.5000110.1A35 M38 I44 V53 V54A35-F46 HydrophobicContact CB-CE1 4.12Å; A35-F46 VanDerWaalsContact O-CE1 3.31Å; A35-F46 WeakPolarHBondContact O-CE1 3.47Å; M38-F46 HydrophobicContact CB-CE1 3.82Å; M38-F46 HydrophobicContact CB-CZ 3.59Å; M38-F46 HydrophobicContact CE-CZ 4.14Å; M38-F46 HydrophobicContact SD-CZ 4.41Å; I44-F46 HydrophobicContact CG2-CD1 4.49Å; F46-V53 HydrophobicContact CB-CG1 4.37Å; F46-V53 HydrophobicContact CD2-CG1 3.55Å; F46-V53 HydrophobicContact CE2-CG1 4.16Å; F46-V53 HydrophobicContact CG-CG1 4.2Å; F46-V54 CarbonylContact C-O 3.04Å; F46-V54 VanDerWaalsContact CA-O 3.3Å; F46-V54 WeakPolarHBondContact CA-O 3.43Å
47I96.1Very high92.6Very high22 Ų2263.8 Ų63.811%0.11335%0.351CS..EExtended strand (participates in β ladder)trans-108.3152174.667.3172.5000110.2V16 L20 V49 V53 V54 V60 F63V16-I47 HydrophobicContact CG1-CG2 4.05Å; L20-I47 HydrophobicContact CD1-CG2 3.91Å; I47-V49 HydrophobicContact CD1-CG2 4.11Å; I47-V49 HydrophobicContact CG1-CG2 4.48Å; I47-V53 WeakPolarHBondContact O-CA 3.5Å; I47-V54 HydrophobicContact CD1-CB 4.36Å; I47-V54 HydrophobicContact CG1-CB 3.93Å; I47-V54 PolarHBondContact N-O 3.01Å; I47-V54 PolarHBondContact O-N 3.07Å; I47-V60 HydrophobicContact CD1-CB 4.5Å; I47-V60 HydrophobicContact CD1-CG1 4.04Å; I47-V60 HydrophobicContact CD1-CG2 3.92Å; I47-V60 HydrophobicContact CG1-CG2 4Å; I47-V60 HydrophobicContact CG2-CG2 4.22Å; I47-F63 HydrophobicContact CD1-CD1 3.88Å; I47-F63 HydrophobicContact CD1-CE1 4.19Å
48H94.6Very high93Very high131 Ų13158.9 Ų58.961%0.60634%0.341SS*.EExtended strand (participates in β ladder)trans-123.8115.5174.6-176-79.4000108.9G50 Q52H48-G50 PolarHBondContact CE1-O 2.85Å; H48-G50 PolarHBondContact ND1-O 3.23Å; H48-G50 PolarHBondContact NE2-O 2.94Å; H48-Q52 WeakPolarHBondContact CA-O 3.1Å
49V93.4Very high93.4Very high74 Ų7457.4 Ų57.445%0.44834%0.339SS..EExtended strand (participates in β ladder)trans-129.9106.2-178.7-176.60000109.1I47 N51 Q52 F63I47-V49 HydrophobicContact CD1-CG2 4.11Å; I47-V49 HydrophobicContact CG1-CG2 4.48Å; V49-N51 PolarHBondContact O-N 3.21Å; V49-Q52 PolarHBondContact N-O 3.46Å; V49-Q52 PolarHBondContact O-N 3.42Å; V49-F63 HydrophobicContact CB-CE1 4.02Å; V49-F63 HydrophobicContact CB-CZ 3.99Å; V49-F63 HydrophobicContact CG1-CE1 4.28Å; V49-F63 HydrophobicContact CG1-CZ 4.13Å; V49-F63 HydrophobicContact CG2-CE1 3.92Å; V49-F63 HydrophobicContact CG2-CZ 4.4Å
50G90.6Very high93.6Very high54 Ų5457 Ų5756%0.55734%0.336SS*.THydrogen-bonded Turntrans60.7-119.2-171.500000110.5H48H48-G50 PolarHBondContact CE1-O 2.85Å; H48-G50 PolarHBondContact ND1-O 3.23Å; H48-G50 PolarHBondContact NE2-O 2.94Å
51N90.6Very high94Very high171 Ų17153.2 Ų53.291%0.91431%0.311SS*.THydrogen-bonded Turntrans-97.910.6177.3-64.9-4000113.2V49V49-N51 PolarHBondContact O-N 3.21Å
52Q94.3Very high94.4Very high94 Ų9456.5 Ų56.544%0.43932%0.321SS..EExtended strand (participates in β ladder)trans-107.8134.8-174.5-54.8-16725.800110.8H48 V49 F63H48-Q52 WeakPolarHBondContact CA-O 3.1Å; V49-Q52 PolarHBondContact N-O 3.46Å; V49-Q52 PolarHBondContact O-N 3.42Å; Q52-F63 HydrophobicContact CB-CE2 4.45Å
53V95.3Very high94.8Very high61 Ų6156 Ų5637%0.3731%0.308SS..EExtended strand (participates in β ladder)trans-119.2123.9176-1740000108.4P40 F46 I47P40-V53 HydrophobicContact CG-CG1 4.13Å; F46-V53 HydrophobicContact CB-CG1 4.37Å; F46-V53 HydrophobicContact CD2-CG1 3.55Å; F46-V53 HydrophobicContact CE2-CG1 4.16Å; F46-V53 HydrophobicContact CG-CG1 4.2Å; I47-V53 WeakPolarHBondContact O-CA 3.5Å
54V96.4Very high95.2Very high23 Ų2350.8 Ų50.814%0.13929%0.286CS..EExtended strand (participates in β ladder)trans-131.7123.6-176.9-174.40000108.7F46 I47 P59 V60 F63F46-V54 CarbonylContact C-O 3.04Å; F46-V54 VanDerWaalsContact CA-O 3.3Å; F46-V54 WeakPolarHBondContact CA-O 3.43Å; I47-V54 HydrophobicContact CD1-CB 4.36Å; I47-V54 HydrophobicContact CG1-CB 3.93Å; I47-V54 PolarHBondContact N-O 3.01Å; I47-V54 PolarHBondContact O-N 3.07Å; V54-P59 HydrophobicContact CG1-CB 3.64Å; V54-V60 HydrophobicContact CB-CG2 4.4Å; V54-V60 HydrophobicContact CG1-CG2 3.98Å; V54-F63 HydrophobicContact CG1-CB 4.28Å; V54-F63 HydrophobicContact CG2-CB 4.18Å; V54-F63 HydrophobicContact CG2-CD1 4.46Å; V54-F63 HydrophobicContact CG2-CD2 4.02Å; V54-F63 HydrophobicContact CG2-CG 3.94Å
55S95.9Very high95.5Very high10 Ų1053.5 Ų53.57%0.0730%0.296CS..EExtended strand (participates in β ladder)trans-107.5156.7179.255.70000112.2S39 S41 P59S39-S55 VanDerWaalsContact OG-CB 3.32Å; S39-S55 WeakPolarHBondContact OG-CB 3.45Å; S41-S55 WeakPolarHBondContact CB-OG 3.4Å; S41-S55 WeakPolarHBondContact OG-CB 3.37Å; S41-S55 PolarHBondContact OG-OG 3.36Å; S55-P59 WeakPolarHBondContact O-CB 3.45Å; S55-P59 VanDerWaalsContact O-CG 3.31Å; S55-P59 WeakPolarHBondContact O-CG 3.28Å
56E94.8Very high95.6Very high64 Ų6456.7 Ų56.730%0.29932%0.324SS..SBendtrans68.6150.9178.9-58.1167.48200114S41 K43 P45 G58 P59 V60S41-E56 WeakPolarHBondContact CB-OE2 3.32Å; S41-E56 PolarHBondContact OG-OE2 2.83Å; K43-E56 HydrophobicContact CB-CG 4.32Å; K43-E56 HydrophobicContact CD-CG 4.28Å; K43-E56 IonicContact NZ-OE1 2.74Å; K43-E56 PolarHBondContact NZ-OE1 3.27Å; K43-E56 IonicContact NZ-OE2 3.75Å; P45-E56 PolarHBondContact O-N 3.33Å; P45-E56 VanDerWaalsContact O-N 3.16Å; E56-G58 PolarHBondContact O-N 2.89Å; E56-P59 HydrophobicContact CB-CG 4.44Å; E56-P59 WeakPolarHBondContact O-CD 3.41Å; E56-V60 WeakPolarHBondContact O-CB 3.23Å; E56-V60 WeakPolarHBondContact O-CG2 3.36Å; E56-V60 PolarHBondContact O-N 3.18Å; E56-V60 VanDerWaalsContact O-N 3.13Å
57L97Very high95.6Very high8 Ų860.3 Ų60.34%0.04234%0.34CS..Hα-helixtrans-62.3-45.4-173.1178.265.7000112.6V16 Y19 V60 V61 M87 L186V16-L57 HydrophobicContact CG2-CB 4Å; V16-L57 HydrophobicContact CG2-CD1 4.06Å; Y19-L57 HydrophobicContact CD1-CD1 4.2Å; Y19-L57 HydrophobicContact CG-CD1 3.87Å; L57-V60 WeakPolarHBondContact O-CB 3.22Å; L57-V60 PolarHBondContact O-N 3.17Å; L57-V61 HydrophobicContact CD1-CG2 4.03Å; L57-V61 HydrophobicContact CG-CG2 4.17Å; L57-V61 VanDerWaalsContact O-CG2 3.23Å; L57-V61 WeakPolarHBondContact O-CG2 3.29Å; L57-V61 PolarHBondContact O-N 2.6Å; L57-M87 HydrophobicContact CD2-CE 3.98Å; L57-L186 HydrophobicContact CD2-CB 3.77Å; L57-L186 HydrophobicContact CD2-CD1 3.86Å; L57-L186 HydrophobicContact CD2-CG 4.25Å
58G96.1Very high95.6Very high30 Ų3062.3 Ų62.331%0.30937%0.366SS..Hα-helixtrans-56.8-54.7-17800000113.2E56 V60 V61 Q62E56-G58 PolarHBondContact O-N 2.89Å; G58-V60 VanDerWaalsContact C-N 3.32Å; G58-V60 PolarHBondContact O-N 3.46Å; G58-V61 WeakPolarHBondContact O-CB 3.16Å; G58-V61 PolarHBondContact O-N 3.43Å; G58-Q62 PolarHBondContact O-N 3.47Å; G58-Q62 VanDerWaalsContact O-N 3.12Å
59P97.2Very high95.6Very high66 Ų6659.8 Ų59.843%0.42935%0.354SS..Hα-helixtrans-60.8-37.4174.5-26.135.9000113.3V54 S55 E56 V61 Q62 F63V54-P59 HydrophobicContact CG1-CB 3.64Å; S55-P59 WeakPolarHBondContact O-CB 3.45Å; S55-P59 VanDerWaalsContact O-CG 3.31Å; S55-P59 WeakPolarHBondContact O-CG 3.28Å; E56-P59 HydrophobicContact CB-CG 4.44Å; E56-P59 WeakPolarHBondContact O-CD 3.41Å; P59-V61 PolarHBondContact O-N 3.44Å; P59-Q62 PolarHBondContact O-N 2.95Å; P59-F63 WeakPolarHBondContact O-CB 3.31Å; P59-F63 PolarHBondContact O-N 2.88Å
60V97.9Very high95.7Very high1 Ų157.6 Ų57.61%0.00634%0.342CS..Hα-helixtrans-59.9-44.6174.2168.30000111.4V16 Y19 L20 I47 V54 E56 L57 G58 Q62 F63 T64V16-V60 HydrophobicContact CG1-CG1 4.33Å; V16-V60 HydrophobicContact CG1-CG2 4.47Å; Y19-V60 HydrophobicContact CD1-CG1 4.01Å; Y19-V60 HydrophobicContact CE1-CG1 4.08Å; L20-V60 HydrophobicContact CD2-CG1 4.03Å; I47-V60 HydrophobicContact CD1-CB 4.5Å; I47-V60 HydrophobicContact CD1-CG1 4.04Å; I47-V60 HydrophobicContact CD1-CG2 3.92Å; I47-V60 HydrophobicContact CG1-CG2 4Å; I47-V60 HydrophobicContact CG2-CG2 4.22Å; V54-V60 HydrophobicContact CB-CG2 4.4Å; V54-V60 HydrophobicContact CG1-CG2 3.98Å; E56-V60 WeakPolarHBondContact O-CB 3.23Å; E56-V60 WeakPolarHBondContact O-CG2 3.36Å; E56-V60 PolarHBondContact O-N 3.18Å; E56-V60 VanDerWaalsContact O-N 3.13Å; L57-V60 WeakPolarHBondContact O-CB 3.22Å; L57-V60 PolarHBondContact O-N 3.17Å; G58-V60 VanDerWaalsContact C-N 3.32Å; G58-V60 PolarHBondContact O-N 3.46Å; V60-Q62 VanDerWaalsContact C-N 3.34Å; V60-Q62 PolarHBondContact O-N 3.07Å; V60-F63 WeakPolarHBondContact O-CB 3.5Å; V60-F63 PolarHBondContact O-N 3.27Å; V60-T64 HydrophobicContact CG1-CG2 4.45Å; V60-T64 PolarHBondContact O-N 3.24Å; V60-T64 PolarHBondContact O-OG1 3.01Å
61V97.8Very high96Very high11 Ų1156 Ų567%0.06732%0.321CS..Hα-helixtrans-59.8-42.8176.5170.90000111.4Y19 L57 G58 P59 T64 K65 E182Y19-V61 HydrophobicContact CD1-CG2 4.24Å; Y19-V61 HydrophobicContact CD2-CG2 4.06Å; Y19-V61 HydrophobicContact CE1-CB 4.4Å; Y19-V61 HydrophobicContact CE1-CG2 3.86Å; Y19-V61 HydrophobicContact CE2-CB 4.49Å; Y19-V61 HydrophobicContact CE2-CG1 4.49Å; Y19-V61 HydrophobicContact CE2-CG2 3.68Å; Y19-V61 HydrophobicContact CG-CG2 4.33Å; L57-V61 HydrophobicContact CD1-CG2 4.03Å; L57-V61 HydrophobicContact CG-CG2 4.17Å; L57-V61 VanDerWaalsContact O-CG2 3.23Å; L57-V61 WeakPolarHBondContact O-CG2 3.29Å; L57-V61 PolarHBondContact O-N 2.6Å; G58-V61 WeakPolarHBondContact O-CB 3.16Å; G58-V61 PolarHBondContact O-N 3.43Å; P59-V61 PolarHBondContact O-N 3.44Å; V61-T64 PolarHBondContact O-OG1 3.43Å; V61-K65 VanDerWaalsContact O-CB 3.22Å; V61-K65 WeakPolarHBondContact O-CB 3.44Å; V61-K65 PolarHBondContact O-N 3.26Å; V61-E182 HydrophobicContact CG1-CG 4.32Å; V61-E182 HydrophobicContact CG2-CB 3.78Å; V61-E182 HydrophobicContact CG2-CG 4.28Å
62Q96.9Very high96.2Very high118 Ų11848.1 Ų48.155%0.55128%0.279SS*.Hα-helixtrans-68-38.3177.3-61.9-55.2-2000112.1G58 P59 V60 K65 A66G58-Q62 PolarHBondContact O-N 3.47Å; G58-Q62 VanDerWaalsContact O-N 3.12Å; P59-Q62 PolarHBondContact O-N 2.95Å; V60-Q62 VanDerWaalsContact C-N 3.34Å; V60-Q62 PolarHBondContact O-N 3.07Å; Q62-K65 PolarHBondContact O-N 3.08Å; Q62-A66 WeakPolarHBondContact O-CB 3.2Å; Q62-A66 PolarHBondContact O-N 3.45Å
63F97.1Very high96.1Very high26 Ų2648.4 Ų48.411%0.11428%0.283CS..Hα-helixtrans-64.1-49.2178.1173.9-101000112I47 V49 Q52 V54 P59 V60 K65 A66 K67I47-F63 HydrophobicContact CD1-CD1 3.88Å; I47-F63 HydrophobicContact CD1-CE1 4.19Å; V49-F63 HydrophobicContact CB-CE1 4.02Å; V49-F63 HydrophobicContact CB-CZ 3.99Å; V49-F63 HydrophobicContact CG1-CE1 4.28Å; V49-F63 HydrophobicContact CG1-CZ 4.13Å; V49-F63 HydrophobicContact CG2-CE1 3.92Å; V49-F63 HydrophobicContact CG2-CZ 4.4Å; Q52-F63 HydrophobicContact CB-CE2 4.45Å; V54-F63 HydrophobicContact CG1-CB 4.28Å; V54-F63 HydrophobicContact CG2-CB 4.18Å; V54-F63 HydrophobicContact CG2-CD1 4.46Å; V54-F63 HydrophobicContact CG2-CD2 4.02Å; V54-F63 HydrophobicContact CG2-CG 3.94Å; P59-F63 WeakPolarHBondContact O-CB 3.31Å; P59-F63 PolarHBondContact O-N 2.88Å; V60-F63 WeakPolarHBondContact O-CB 3.5Å; V60-F63 PolarHBondContact O-N 3.27Å; F63-K65 VanDerWaalsContact C-N 3.34Å; F63-K65 PolarHBondContact O-N 3.49Å; F63-A66 PolarHBondContact O-N 2.99Å; F63-K67 HydrophobicContact CE1-CG 4.5Å; F63-K67 HydrophobicContact CE2-CG 4.45Å; F63-K67 HydrophobicContact CZ-CG 4.27Å; F63-K67 WeakPolarHBondContact O-CG 3.39Å; F63-K67 PolarHBondContact O-N 3.38Å
64T97.1Very high95.9Very high5 Ų549.7 Ų49.73%0.03130%0.295CS..Hα-helixtrans-63.9-39.6176.948.20000111.5Y19 L20 L25 V60 V61 A66 K67 G68 H69Y19-T64 HydrophobicContact CE1-CG2 4.04Å; Y19-T64 WeakPolarHBondContact CE1-OG1 3.43Å; Y19-T64 PolarHBondContact OH-OG1 3.16Å; L20-T64 HydrophobicContact CD2-CG2 3.92Å; L25-T64 HydrophobicContact CD1-CG2 3.94Å; V60-T64 HydrophobicContact CG1-CG2 4.45Å; V60-T64 PolarHBondContact O-N 3.24Å; V60-T64 PolarHBondContact O-OG1 3.01Å; V61-T64 PolarHBondContact O-OG1 3.43Å; T64-A66 PolarHBondContact O-N 3.49Å; T64-K67 CarbonylContact O-C 3.53Å; T64-K67 WeakPolarHBondContact O-CA 3.37Å; T64-K67 WeakPolarHBondContact O-CB 3.19Å; T64-K67 PolarHBondContact O-N 2.81Å; T64-G68 PolarHBondContact O-N 2.74Å; T64-H69 CarbonylContact C-O 3.39Å; T64-H69 WeakPolarHBondContact CB-O 3.4Å; T64-H69 PolarHBondContact O-N 2.74Å; T64-H69 PolarHBondContact OG1-O 3.43Å
65K96.5Very high95.8Very high86 Ų8649.2 Ų49.237%0.37429%0.292SS..Hα-helixtrans-59.5-45.2175.1-178.9169.4-174.11640112V61 Q62 F63 K67 G68 H69 D73V61-K65 VanDerWaalsContact O-CB 3.22Å; V61-K65 WeakPolarHBondContact O-CB 3.44Å; V61-K65 PolarHBondContact O-N 3.26Å; Q62-K65 PolarHBondContact O-N 3.08Å; F63-K65 VanDerWaalsContact C-N 3.34Å; F63-K65 PolarHBondContact O-N 3.49Å; K65-K67 PolarHBondContact O-N 3.24Å; K65-K67 VanDerWaalsContact O-N 3.14Å; K65-G68 PolarHBondContact O-N 2.96Å; K65-H69 WeakPolarHBondContact CA-O 3.22Å; K65-H69 PolarHBondContact N-O 3.22Å; K65-H69 VanDerWaalsContact N-O 3.09Å; K65-D73 IonicContact NZ-OD1 3.48Å
66A96.4Very high95.8Very high86 Ų8652.5 Ų52.571%0.71131%0.309SS*.Hα-helixtrans-62.9-18.5175.100000113.3Q62 F63 T64Q62-A66 WeakPolarHBondContact O-CB 3.2Å; Q62-A66 PolarHBondContact O-N 3.45Å; F63-A66 PolarHBondContact O-N 2.99Å; T64-A66 PolarHBondContact O-N 3.49Å
67K95.4Very high95.9Very high125 Ų12555.2 Ų55.254%0.54333%0.325SS..THydrogen-bonded Turntrans-96.26173.8-61.6-63.9-176.7-1790113.7F63 T64 K65F63-K67 HydrophobicContact CE1-CG 4.5Å; F63-K67 HydrophobicContact CE2-CG 4.45Å; F63-K67 HydrophobicContact CZ-CG 4.27Å; F63-K67 WeakPolarHBondContact O-CG 3.39Å; F63-K67 PolarHBondContact O-N 3.38Å; T64-K67 CarbonylContact O-C 3.53Å; T64-K67 WeakPolarHBondContact O-CA 3.37Å; T64-K67 WeakPolarHBondContact O-CB 3.19Å; T64-K67 PolarHBondContact O-N 2.81Å; K65-K67 PolarHBondContact O-N 3.24Å; K65-K67 VanDerWaalsContact O-N 3.14Å
68G96.1Very high95.9Very high64 Ų6459.4 Ų59.466%0.6635%0.351SS*.THydrogen-bonded Turntrans88.513.6177.700000115T64 K65T64-G68 PolarHBondContact O-N 2.74Å; K65-G68 PolarHBondContact O-N 2.96Å
69H95.8Very high95.9Very high79 Ų7960.3 Ų60.337%0.36635%0.347SS..  trans-115.9107.2177.5-62.8-82.6000110.2T64 K65T64-H69 CarbonylContact C-O 3.39Å; T64-H69 WeakPolarHBondContact CB-O 3.4Å; T64-H69 PolarHBondContact O-N 2.74Å; T64-H69 PolarHBondContact OG1-O 3.43Å; K65-H69 WeakPolarHBondContact CA-O 3.22Å; K65-H69 PolarHBondContact N-O 3.22Å; K65-H69 VanDerWaalsContact N-O 3.09Å
70S95.3Very high95.8Very high27 Ų2760.4 Ų60.419%0.18934%0.339CS..  trans-140.7134.9-177.9178.30000109.9D73S70-D73 WeakPolarHBondContact CB-OD1 3.38Å; S70-D73 VanDerWaalsContact CB-OD2 3.31Å; S70-D73 WeakPolarHBondContact CB-OD2 3.4Å; S70-D73 PolarHBondContact OG-OD1 3.01Å
71L95.8Very high95.7Very high21 Ų2163.2 Ų63.211%0.1136%0.362CS..SBendtrans-91.2-13.1177.4-60.9-179.5000112.6Y19 M22 A180Y19-L71 HydrophobicContact CD2-CD1 3.54Å; Y19-L71 HydrophobicContact CD2-CG 4.35Å; Y19-L71 HydrophobicContact CE2-CD1 3.59Å; Y19-L71 HydrophobicContact CE2-CG 3.89Å; M22-L71 HydrophobicContact CB-CD1 3.64Å; M22-L71 HydrophobicContact CB-CD2 4.18Å; M22-L71 HydrophobicContact SD-CD1 4.34Å; L71-A180 WeakPolarHBondContact CB-O 3.33Å
72S94.3Very high95.7Very high6 Ų666.8 Ų66.84%0.04238%0.378CS..SBendtrans-115.913.8-170.958.70000114S74 L75 E182S72-S74 VanDerWaalsContact C-N 3.26Å; S72-S74 PolarHBondContact O-N 3.03Å; S72-L75 WeakPolarHBondContact O-CB 3.44Å; S72-L75 PolarHBondContact O-N 3.43Å; S72-E182 VanDerWaalsContact CB-OE1 3.23Å; S72-E182 WeakPolarHBondContact CB-OE1 3.32Å; S72-E182 PolarHBondContact OG-OE1 3.17Å
73D92.8Very high95.7Very high99 Ų9961.5 Ų61.553%0.52935%0.353SS..THydrogen-bonded Turntrans-66.2-27.8178.6-77.9-5.1000112.8K65 S70 L75K65-D73 IonicContact NZ-OD1 3.48Å; S70-D73 WeakPolarHBondContact CB-OD1 3.38Å; S70-D73 VanDerWaalsContact CB-OD2 3.31Å; S70-D73 WeakPolarHBondContact CB-OD2 3.4Å; S70-D73 PolarHBondContact OG-OD1 3.01Å; D73-L75 VanDerWaalsContact C-N 3.31Å
74S91.8Very high95.8Very high89 Ų8966.5 Ų66.562%0.62238%0.375SS*.THydrogen-bonded Turntrans-79.8-9.7177.263.60000114.3S72S72-S74 VanDerWaalsContact C-N 3.26Å; S72-S74 PolarHBondContact O-N 3.03Å
75L94.7Very high95.8Very high12 Ų1269.2 Ų69.26%0.06340%0.398CS..SBendtrans-76.2149.9-179.7-58.9-172.4000110.5S72 D73 Q79 R80 M83 F176 T181S72-L75 WeakPolarHBondContact O-CB 3.44Å; S72-L75 PolarHBondContact O-N 3.43Å; D73-L75 VanDerWaalsContact C-N 3.31Å; L75-Q79 HydrophobicContact CB-CB 3.96Å; L75-Q79 HydrophobicContact CD1-CB 4.46Å; L75-Q79 HydrophobicContact CD2-CB 4.35Å; L75-Q79 HydrophobicContact CG-CB 4.48Å; L75-R80 HydrophobicContact CB-CG 3.95Å; L75-R80 VanDerWaalsContact O-CZ 3.24Å; L75-R80 PolarHBondContact O-NH1 3.44Å; L75-R80 PolarHBondContact O-NH2 3.5Å; L75-M83 HydrophobicContact CD1-CE 4.35Å; L75-M83 HydrophobicContact CD1-SD 3.8Å; L75-F176 HydrophobicContact CD1-CD1 4.35Å; L75-F176 HydrophobicContact CD1-CD2 4.44Å; L75-F176 HydrophobicContact CD1-CG 4.19Å; L75-F176 HydrophobicContact CD2-CB 3.67Å; L75-F176 HydrophobicContact CD2-CD1 4.05Å; L75-F176 HydrophobicContact CD2-CG 3.99Å; L75-T181 HydrophobicContact CD1-CG2 4.3Å
76D95.3Very high95.9Very high79 Ų7968 Ų6842%0.42239%0.392SS..  trans-81175.5166.36648.5000111.6V78 Q79 R80D76-V78 VanDerWaalsContact C-N 3.3Å; D76-V78 PolarHBondContact O-N 2.89Å; D76-V78 WeakPolarHBondContact OD1-CA 3.2Å; D76-V78 WeakPolarHBondContact OD1-CB 3.31Å; D76-V78 PolarHBondContact OD1-N 3.19Å; D76-Q79 VanDerWaalsContact N-OE1 3.13Å; D76-Q79 PolarHBondContact O-N 3.36Å; D76-Q79 WeakPolarHBondContact OD1-CB 3.41Å; D76-Q79 WeakPolarHBondContact OD1-CG 3.26Å; D76-Q79 PolarHBondContact OD1-N 2.76Å; D76-R80 WeakPolarHBondContact O-CB 3.31Å; D76-R80 WeakPolarHBondContact O-CG 3.37Å; D76-R80 PolarHBondContact O-N 2.86Å
77D95.9Very high96Very high121 Ų12164.8 Ų64.865%0.64736%0.362SS*.Hα-helixtrans-65.5-32.3-177.7-71.9-31000113.4R80 A81D77-R80 IonicContact OD1-CZ 3.75Å; D77-R80 IonicContact OD1-NE 2.68Å; D77-R80 PolarHBondContact OD1-NE 3.25Å; D77-R80 IonicContact OD1-NH2 3.42Å; D77-R80 PolarHBondContact OD1-NH2 2.89Å; D77-A81 WeakPolarHBondContact O-CB 3.46Å; D77-A81 PolarHBondContact O-N 3.42Å
78V96.9Very high96.1Very high96 Ų9663.7 Ų63.758%0.58236%0.359SS*.Hα-helixtrans-70-49.1177.7178.20000109.2D76 R80 A81 E82D76-V78 VanDerWaalsContact C-N 3.3Å; D76-V78 PolarHBondContact O-N 2.89Å; D76-V78 WeakPolarHBondContact OD1-CA 3.2Å; D76-V78 WeakPolarHBondContact OD1-CB 3.31Å; D76-V78 PolarHBondContact OD1-N 3.19Å; V78-R80 VanDerWaalsContact C-N 3.3Å; V78-R80 PolarHBondContact O-N 3.46Å; V78-A81 WeakPolarHBondContact O-CB 3.36Å; V78-A81 PolarHBondContact O-N 2.98Å; V78-E82 HydrophobicContact CG1-CG 4.47Å; V78-E82 WeakPolarHBondContact O-CG 3.27Å; V78-E82 PolarHBondContact O-N 2.68Å
79Q96.1Very high96.2Very high49 Ų4962.8 Ų62.823%0.22934%0.339CS..Hα-helixtrans-59.9-39.4176.5-71.2176.2-20.400112L75 D76 E82 M83 F176L75-Q79 HydrophobicContact CB-CB 3.96Å; L75-Q79 HydrophobicContact CD1-CB 4.46Å; L75-Q79 HydrophobicContact CD2-CB 4.35Å; L75-Q79 HydrophobicContact CG-CB 4.48Å; D76-Q79 VanDerWaalsContact N-OE1 3.13Å; D76-Q79 PolarHBondContact O-N 3.36Å; D76-Q79 WeakPolarHBondContact OD1-CB 3.41Å; D76-Q79 WeakPolarHBondContact OD1-CG 3.26Å; D76-Q79 PolarHBondContact OD1-N 2.76Å; Q79-E82 PolarHBondContact O-N 2.83Å; Q79-M83 VanDerWaalsContact O-CB 3.28Å; Q79-M83 WeakPolarHBondContact O-CB 3.3Å; Q79-M83 PolarHBondContact O-N 3.03Å; Q79-F176 HydrophobicContact CB-CD1 3.92Å; Q79-F176 HydrophobicContact CB-CE1 3.72Å; Q79-F176 HydrophobicContact CG-CD1 4.07Å; Q79-F176 HydrophobicContact CG-CE1 4.06Å; Q79-F176 WeakPolarHBondContact O-CE1 3.4Å; Q79-F176 WeakPolarHBondContact O-CZ 3.42Å
80R95.7Very high96.3Very high69 Ų6959 Ų5926%0.2632%0.321SS..Hα-helixtrans-63.1-40.8173.3-80.7-169.6-80.1-89.5-4112.4L75 D76 D77 V78 K84L75-R80 HydrophobicContact CB-CG 3.95Å; L75-R80 VanDerWaalsContact O-CZ 3.24Å; L75-R80 PolarHBondContact O-NH1 3.44Å; L75-R80 PolarHBondContact O-NH2 3.5Å; D76-R80 WeakPolarHBondContact O-CB 3.31Å; D76-R80 WeakPolarHBondContact O-CG 3.37Å; D76-R80 PolarHBondContact O-N 2.86Å; D77-R80 IonicContact OD1-CZ 3.75Å; D77-R80 IonicContact OD1-NE 2.68Å; D77-R80 PolarHBondContact OD1-NE 3.25Å; D77-R80 IonicContact OD1-NH2 3.42Å; D77-R80 PolarHBondContact OD1-NH2 2.89Å; V78-R80 VanDerWaalsContact C-N 3.3Å; V78-R80 PolarHBondContact O-N 3.46Å; R80-K84 WeakPolarHBondContact O-CG 3.18Å; R80-K84 PolarHBondContact O-N 2.96Å; R80-K84 VanDerWaalsContact O-N 3.14Å
81A97.1Very high96.4Very high60 Ų6060.3 Ų60.350%0.49632%0.323SS..Hα-helixtrans-66.5-44.2176.600000111.4D77 V78 K84 A85D77-A81 WeakPolarHBondContact O-CB 3.46Å; D77-A81 PolarHBondContact O-N 3.42Å; V78-A81 WeakPolarHBondContact O-CB 3.36Å; V78-A81 PolarHBondContact O-N 2.98Å; A81-K84 PolarHBondContact O-N 2.67Å; A81-A85 PolarHBondContact O-N 3.31Å
82E97.3Very high96.4Very high85 Ų8563.5 Ų63.540%0.39734%0.339SS..Hα-helixtrans-59.8-46.3174.4-71.3-179.8161.400111.6V78 Q79 K84 A85 Y86 F176V78-E82 HydrophobicContact CG1-CG 4.47Å; V78-E82 WeakPolarHBondContact O-CG 3.27Å; V78-E82 PolarHBondContact O-N 2.68Å; Q79-E82 PolarHBondContact O-N 2.83Å; E82-K84 VanDerWaalsContact C-N 3.3Å; E82-K84 PolarHBondContact O-N 3.23Å; E82-A85 WeakPolarHBondContact O-CB 3.49Å; E82-A85 PolarHBondContact O-N 2.81Å; E82-Y86 VanDerWaalsContact O-CD2 3.23Å; E82-Y86 WeakPolarHBondContact O-CD2 3.4Å; E82-Y86 PolarHBondContact O-N 3.17Å; E82-F176 HydrophobicContact CB-CE1 4.36Å; E82-F176 HydrophobicContact CB-CZ 4.08Å
83M97.4Very high96.5Very high7 Ų765.7 Ų65.73%0.03435%0.35CS..Hα-helixtrans-56.8-46.6178.6-175.418068.200110.7L75 Q79 A85 Y86 M87 F176 T181 E182 L183L75-M83 HydrophobicContact CD1-CE 4.35Å; L75-M83 HydrophobicContact CD1-SD 3.8Å; Q79-M83 VanDerWaalsContact O-CB 3.28Å; Q79-M83 WeakPolarHBondContact O-CB 3.3Å; Q79-M83 PolarHBondContact O-N 3.03Å; M83-A85 VanDerWaalsContact C-N 3.34Å; M83-A85 PolarHBondContact O-N 2.69Å; M83-Y86 PolarHBondContact O-N 3.3Å; M83-M87 HydrophobicContact CG-SD 4.42Å; M83-M87 WeakPolarHBondContact O-CG 3.43Å; M83-M87 PolarHBondContact O-N 3.17Å; M83-F176 HydrophobicContact CB-CD2 4.45Å; M83-F176 HydrophobicContact CB-CE2 3.53Å; M83-F176 HydrophobicContact CB-CZ 3.65Å; M83-F176 HydrophobicContact CG-CD2 4.45Å; M83-F176 HydrophobicContact CG-CE2 3.81Å; M83-F176 HydrophobicContact CG-CZ 4.44Å; M83-T181 HydrophobicContact SD-CG2 4.4Å; M83-E182 HydrophobicContact CE-CG 3.87Å; M83-E182 WeakPolarHBondContact CE-OE1 3.17Å; M83-E182 HydrophobicContact SD-CG 3.93Å; M83-L183 HydrophobicContact CG-CB 3.8Å; M83-L183 HydrophobicContact CG-CD2 4.49Å
84K97.3Very high96.7Very high132 Ų13261 Ų6157%0.57433%0.325SS*.Hα-helixtrans-60-43.3175.2-73.3176.8178.2-179.50111.9R80 A81 E82 Y86 M87 E88R80-K84 WeakPolarHBondContact O-CG 3.18Å; R80-K84 PolarHBondContact O-N 2.96Å; R80-K84 VanDerWaalsContact O-N 3.14Å; A81-K84 PolarHBondContact O-N 2.67Å; E82-K84 VanDerWaalsContact C-N 3.3Å; E82-K84 PolarHBondContact O-N 3.23Å; K84-Y86 VanDerWaalsContact C-N 3.33Å; K84-Y86 PolarHBondContact O-N 3.28Å; K84-M87 PolarHBondContact O-N 3.04Å; K84-E88 WeakPolarHBondContact O-CG 3.24Å; K84-E88 PolarHBondContact O-N 3.38Å
85A98.3Very high96.9Very high62 Ų6258.2 Ų58.251%0.51230%0.303SS..Hα-helixtrans-60.4-42.1177.300000112.2A81 E82 M83 E88 L89A81-A85 PolarHBondContact O-N 3.31Å; E82-A85 WeakPolarHBondContact O-CB 3.49Å; E82-A85 PolarHBondContact O-N 2.81Å; M83-A85 VanDerWaalsContact C-N 3.34Å; M83-A85 PolarHBondContact O-N 2.69Å; A85-E88 PolarHBondContact O-N 3.01Å; A85-L89 PolarHBondContact O-N 3.42Å
86Y98.4Very high97Very high60 Ų6057.9 Ų57.924%0.23530%0.301CS..Hα-helixtrans-68.8-36.1174.9-79.2-74.1000113E82 M83 K84 E88 L89 V90 L165 R168 L183E82-Y86 VanDerWaalsContact O-CD2 3.23Å; E82-Y86 WeakPolarHBondContact O-CD2 3.4Å; E82-Y86 PolarHBondContact O-N 3.17Å; M83-Y86 PolarHBondContact O-N 3.3Å; K84-Y86 VanDerWaalsContact C-N 3.33Å; K84-Y86 PolarHBondContact O-N 3.28Å; Y86-E88 VanDerWaalsContact C-N 3.34Å; Y86-L89 HydrophobicContact CD1-CD2 4.22Å; Y86-L89 WeakPolarHBondContact O-CB 3.46Å; Y86-L89 PolarHBondContact O-N 2.79Å; Y86-V90 WeakPolarHBondContact O-CG2 3.24Å; Y86-V90 PolarHBondContact O-N 3.15Å; Y86-L165 HydrophobicContact CD1-CD2 4.16Å; Y86-R168 HydrophobicContact CD1-CG 4.42Å; Y86-R168 HydrophobicContact CD2-CG 4.19Å; Y86-R168 HydrophobicContact CE1-CB 3.73Å; Y86-R168 HydrophobicContact CE1-CG 3.88Å; Y86-R168 HydrophobicContact CE2-CB 4.35Å; Y86-R168 HydrophobicContact CE2-CG 3.65Å; Y86-R168 VanDerWaalsContact CZ-CG 3.48Å; Y86-R168 WeakPolarHBondContact OH-CD 3.46Å; Y86-L183 HydrophobicContact CG-CD2 4.26Å
87M98.4Very high97.1Very high19 Ų1954.1 Ų54.19%0.09428%0.281CS..Hα-helixtrans-62.5-43.6173.6-70.3-179.876.800111.2L57 M83 K84 L89 V90 Y91 E182 L183 L186L57-M87 HydrophobicContact CD2-CE 3.98Å; M83-M87 HydrophobicContact CG-SD 4.42Å; M83-M87 WeakPolarHBondContact O-CG 3.43Å; M83-M87 PolarHBondContact O-N 3.17Å; K84-M87 PolarHBondContact O-N 3.04Å; M87-L89 VanDerWaalsContact C-N 3.32Å; M87-L89 PolarHBondContact O-N 3.43Å; M87-V90 PolarHBondContact O-N 2.83Å; M87-Y91 HydrophobicContact CB-CE2 4.45Å; M87-Y91 VanDerWaalsContact O-CD2 3.22Å; M87-Y91 WeakPolarHBondContact O-CD2 3.48Å; M87-Y91 PolarHBondContact O-N 3.2Å; M87-E182 HydrophobicContact CE-CB 4.32Å; M87-E182 HydrophobicContact CE-CG 4.33Å; M87-E182 HydrophobicContact SD-CG 4Å; M87-L183 HydrophobicContact CG-CB 4.22Å; M87-L183 HydrophobicContact CG-CD1 3.89Å; M87-L186 HydrophobicContact CB-CD2 3.87Å; M87-L186 HydrophobicContact CE-CD2 4.08Å; M87-L186 HydrophobicContact CG-CD2 3.95Å
88E98Very high97.1Very high102 Ų10248.4 Ų48.448%0.47725%0.25SS..Hα-helixtrans-64.4-35.1174.5-68.2-53.4139.500112.4K84 A85 Y86 V90 Y91 N92K84-E88 WeakPolarHBondContact O-CG 3.24Å; K84-E88 PolarHBondContact O-N 3.38Å; A85-E88 PolarHBondContact O-N 3.01Å; Y86-E88 VanDerWaalsContact C-N 3.34Å; E88-V90 VanDerWaalsContact C-N 3.33Å; E88-V90 PolarHBondContact O-N 3.27Å; E88-Y91 PolarHBondContact O-N 3.31Å; E88-N92 VanDerWaalsContact O-CB 3.27Å; E88-N92 WeakPolarHBondContact O-CB 3.16Å; E88-N92 VanDerWaalsContact O-CG 3.31Å; E88-N92 PolarHBondContact O-N 2.91Å; E88-N92 PolarHBondContact O-ND2 3.02Å
89L98.2Very high97.1Very high45 Ų4544.7 Ų44.724%0.23623%0.227CC..Hα-helixtrans-59.9-44.9171.717967.9000111.1A85 Y86 M87 N92 M93 A164A85-L89 PolarHBondContact O-N 3.42Å; Y86-L89 HydrophobicContact CD1-CD2 4.22Å; Y86-L89 WeakPolarHBondContact O-CB 3.46Å; Y86-L89 PolarHBondContact O-N 2.79Å; M87-L89 VanDerWaalsContact C-N 3.32Å; M87-L89 PolarHBondContact O-N 3.43Å; L89-N92 PolarHBondContact O-N 2.89Å; L89-M93 HydrophobicContact CD1-CE 4.32Å; L89-M93 HydrophobicContact CD1-CG 3.69Å; L89-M93 HydrophobicContact CG-CG 4.43Å; L89-M93 VanDerWaalsContact O-CB 3.29Å; L89-M93 WeakPolarHBondContact O-CB 3.48Å; L89-M93 WeakPolarHBondContact O-CG 3.38Å; L89-M93 PolarHBondContact O-N 3.04Å; L89-A164 HydrophobicContact CD2-CB 3.84Å
90V98.3Very high97.2Very high0 Ų043 Ų430%022%0.219CC..Hα-helixtrans-64.2-44.6178.4174.20000111.4Y86 M87 E88 L94 L95 L165 L186 V187 H190Y86-V90 WeakPolarHBondContact O-CG2 3.24Å; Y86-V90 PolarHBondContact O-N 3.15Å; M87-V90 PolarHBondContact O-N 2.83Å; E88-V90 VanDerWaalsContact C-N 3.33Å; E88-V90 PolarHBondContact O-N 3.27Å; V90-L94 HydrophobicContact CG1-CB 4.27Å; V90-L94 HydrophobicContact CG1-CD1 4.07Å; V90-L94 HydrophobicContact CG1-CG 4.39Å; V90-L94 WeakPolarHBondContact O-CB 3.47Å; V90-L94 PolarHBondContact O-N 3.34Å; V90-L95 PolarHBondContact O-N 2.9Å; V90-L165 HydrophobicContact CG2-CD1 4.15Å; V90-L165 HydrophobicContact CG2-CD2 4.15Å; V90-L186 HydrophobicContact CB-CD2 3.91Å; V90-L186 HydrophobicContact CB-CG 4.24Å; V90-L186 HydrophobicContact CG1-CD1 4.32Å; V90-L186 HydrophobicContact CG1-CD2 3.93Å; V90-L186 HydrophobicContact CG1-CG 3.73Å; V90-V187 HydrophobicContact CG2-CG2 3.75Å; V90-H190 HydrophobicContact CG1-CB 4.5Å; V90-H190 VanDerWaalsContact CG1-CD2 3.48Å; V90-H190 WeakPolarHBondContact CG1-CD2 3.41Å
91Y96.6Very high97.2Very high54 Ų5439.9 Ų39.921%0.21221%0.208CC..Iπ-helixtrans-63.9-43.2176.9-69.8-50.2000112.6M87 E88 L95 T96 L186M87-Y91 HydrophobicContact CB-CE2 4.45Å; M87-Y91 VanDerWaalsContact O-CD2 3.22Å; M87-Y91 WeakPolarHBondContact O-CD2 3.48Å; M87-Y91 PolarHBondContact O-N 3.2Å; E88-Y91 PolarHBondContact O-N 3.31Å; Y91-L95 HydrophobicContact CD1-CD2 3.89Å; Y91-L95 WeakPolarHBondContact O-CB 3.43Å; Y91-T96 PolarHBondContact O-N 2.84Å; Y91-T96 PolarHBondContact O-OG1 2.93Å; Y91-L186 HydrophobicContact CD1-CD1 4.39Å; Y91-L186 HydrophobicContact CE1-CD1 3.67Å; Y91-L186 HydrophobicContact CE1-CD2 4.13Å; Y91-L186 HydrophobicContact CE2-CD2 4.07Å
92N95.8Very high97.1Very high87 Ų8737.2 Ų37.247%0.46519%0.185SC..Iπ-helixtrans-76.9-27.7-175.9-71.6-49.4000113E88 L89 T96E88-N92 VanDerWaalsContact O-CB 3.27Å; E88-N92 WeakPolarHBondContact O-CB 3.16Å; E88-N92 VanDerWaalsContact O-CG 3.31Å; E88-N92 PolarHBondContact O-N 2.91Å; E88-N92 PolarHBondContact O-ND2 3.02Å; L89-N92 PolarHBondContact O-N 2.89Å; N92-T96 WeakPolarHBondContact O-CB 3.37Å; N92-T96 PolarHBondContact O-OG1 3.25Å
93M96.1Very high97.1Very high53 Ų5333.2 Ų33.226%0.26117%0.166SC..Iπ-helixtrans-101.4-67.7-179.9-57-57.8171.600111.9L89 S97 W146 D157 C161L89-M93 HydrophobicContact CD1-CE 4.32Å; L89-M93 HydrophobicContact CD1-CG 3.69Å; L89-M93 HydrophobicContact CG-CG 4.43Å; L89-M93 VanDerWaalsContact O-CB 3.29Å; L89-M93 WeakPolarHBondContact O-CB 3.48Å; L89-M93 WeakPolarHBondContact O-CG 3.38Å; L89-M93 PolarHBondContact O-N 3.04Å; M93-S97 WeakPolarHBondContact O-CB 3.38Å; M93-S97 PolarHBondContact O-N 3.41Å; M93-S97 PolarHBondContact O-OG 3.49Å; M93-W146 HydrophobicContact SD-CZ2 4.37Å; M93-D157 HydrophobicContact SD-CB 4.19Å; M93-C161 HydrophobicContact CB-CB 3.6Å; M93-C161 HydrophobicContact CG-CB 4.03Å
94L97.1Very high97Very high0 Ų034 Ų340%017%0.172CC..Iπ-helixtrans-66.7-53.6-172.1-57.7-173.7000112.1V90 T96 S97 E98 V158 C161 L165 H190 L191 I194V90-L94 HydrophobicContact CG1-CB 4.27Å; V90-L94 HydrophobicContact CG1-CD1 4.07Å; V90-L94 HydrophobicContact CG1-CG 4.39Å; V90-L94 WeakPolarHBondContact O-CB 3.47Å; V90-L94 PolarHBondContact O-N 3.34Å; L94-T96 VanDerWaalsContact C-N 3.34Å; L94-T96 PolarHBondContact O-N 3.08Å; L94-S97 PolarHBondContact O-N 3.12Å; L94-E98 VanDerWaalsContact O-CG 3.24Å; L94-E98 WeakPolarHBondContact O-CG 3.21Å; L94-E98 PolarHBondContact O-N 2.67Å; L94-V158 HydrophobicContact CD2-CB 4.48Å; L94-V158 HydrophobicContact CD2-CG1 3.89Å; L94-V158 HydrophobicContact CD2-CG2 4.36Å; L94-C161 HydrophobicContact CD2-CB 4.16Å; L94-L165 HydrophobicContact CD1-CD1 4.28Å; L94-H190 HydrophobicContact CB-CB 4.16Å; L94-H190 HydrophobicContact CD1-CB 3.8Å; L94-L191 HydrophobicContact CD1-CD2 3.85Å; L94-L191 HydrophobicContact CD1-CG 4.48Å; L94-I194 HydrophobicContact CD2-CD1 4.45Å
95L96.3Very high96.9Very high31 Ų3129.1 Ų29.116%0.16215%0.153CC..Iπ-helixtrans-62.9-40.9-179.5174.562.5000111.8V90 Y91 E98 L99V90-L95 PolarHBondContact O-N 2.9Å; Y91-L95 HydrophobicContact CD1-CD2 3.89Å; Y91-L95 WeakPolarHBondContact O-CB 3.43Å; L95-E98 PolarHBondContact O-N 3.15Å; L95-L99 HydrophobicContact CD1-CD1 4.35Å; L95-L99 HydrophobicContact CD1-CG 4.42Å; L95-L99 HydrophobicContact CG-CD1 4.34Å; L95-L99 WeakPolarHBondContact O-CG 3.45Å; L95-L99 PolarHBondContact O-N 3.38Å
96T96.9Very high96.7Very high4 Ų431.1 Ų31.13%0.02515%0.154CC..Hα-helixtrans-63.4-44.2176.2-57.90000111.6Y91 N92 L94 L99 F100 M141 I144 W146Y91-T96 PolarHBondContact O-N 2.84Å; Y91-T96 PolarHBondContact O-OG1 2.93Å; N92-T96 WeakPolarHBondContact O-CB 3.37Å; N92-T96 PolarHBondContact O-OG1 3.25Å; L94-T96 VanDerWaalsContact C-N 3.34Å; L94-T96 PolarHBondContact O-N 3.08Å; T96-L99 PolarHBondContact O-N 3.05Å; T96-F100 WeakPolarHBondContact O-CB 3.27Å; T96-F100 PolarHBondContact O-N 3.47Å; T96-M141 HydrophobicContact CG2-CE 4.02Å; T96-M141 HydrophobicContact CG2-SD 3.78Å; T96-I144 HydrophobicContact CG2-CD1 3.43Å; T96-I144 VanDerWaalsContact CG2-CD1 3.43Å; T96-W146 HydrophobicContact CG2-CD2 3.74Å; T96-W146 HydrophobicContact CG2-CE3 3.66Å; T96-W146 HydrophobicContact CG2-CG 4.44Å; T96-W146 HydrophobicContact CG2-CH2 3.93Å; T96-W146 HydrophobicContact CG2-CZ2 4.01Å; T96-W146 HydrophobicContact CG2-CZ3 3.75Å
97S97.1Very high96.5Very high1 Ų130.2 Ų30.21%0.00716%0.16CC..Hα-helixtrans-64.4-41.2177.4-67.50000112.6M93 L94 F100 V101 W146 V154 V158M93-S97 WeakPolarHBondContact O-CB 3.38Å; M93-S97 PolarHBondContact O-N 3.41Å; M93-S97 PolarHBondContact O-OG 3.49Å; L94-S97 PolarHBondContact O-N 3.12Å; S97-F100 PolarHBondContact O-N 3.16Å; S97-V101 VanDerWaalsContact O-CG2 3.32Å; S97-V101 WeakPolarHBondContact O-CG2 3.11Å; S97-V101 PolarHBondContact O-N 3.41Å; S97-W146 VanDerWaalsContact OG-CH2 3.29Å; S97-W146 WeakPolarHBondContact OG-CH2 3.36Å; S97-W146 WeakPolarHBondContact OG-CZ3 3.48Å; S97-V154 WeakPolarHBondContact OG-CG1 3.46Å; S97-V158 VanDerWaalsContact OG-CG2 3.25Å; S97-V158 WeakPolarHBondContact OG-CG2 3.48Å
98E96.6Very high96.2Very high0 Ų029.4 Ų29.40%016%0.156CC..Hα-helixtrans-58.1-49.8173.4-71.2164.9-172.700110.8L7 S8 A11 L94 L95 F100 V101 Q102 H190 I194L7-E98 HydrophobicContact CD2-CB 3.82Å; L7-E98 HydrophobicContact CD2-CG 3.71Å; L7-E98 HydrophobicContact CG-CB 4.29Å; L7-E98 HydrophobicContact CG-CG 4.07Å; S8-E98 WeakPolarHBondContact CA-OE2 3.36Å; A11-E98 WeakPolarHBondContact CB-OE2 3.46Å; L94-E98 VanDerWaalsContact O-CG 3.24Å; L94-E98 WeakPolarHBondContact O-CG 3.21Å; L94-E98 PolarHBondContact O-N 2.67Å; L95-E98 PolarHBondContact O-N 3.15Å; E98-F100 VanDerWaalsContact C-N 3.31Å; E98-F100 PolarHBondContact O-N 3.41Å; E98-V101 PolarHBondContact O-N 2.95Å; E98-Q102 WeakPolarHBondContact O-CB 3.49Å; E98-Q102 WeakPolarHBondContact O-CG 3.3Å; E98-Q102 PolarHBondContact O-N 3.48Å; E98-Q102 PolarHBondContact O-OE1 3.15Å; E98-H190 VanDerWaalsContact CD-ND1 3.27Å; E98-H190 IonicContact OE1-CE1 3.74Å; E98-H190 IonicContact OE1-CG 3.9Å; E98-H190 IonicContact OE1-ND1 3.89Å; E98-H190 PolarHBondContact OE1-ND1 3.45Å; E98-H190 IonicContact OE2-CE1 3.33Å; E98-H190 PolarHBondContact OE2-CE1 3.04Å; E98-H190 IonicContact OE2-ND1 3.41Å; E98-H190 PolarHBondContact OE2-ND1 2.98Å; E98-I194 HydrophobicContact CG-CD1 4.38Å; E98-I194 HydrophobicContact CG-CG1 4.26Å
99L96.4Very high96.1Very high19 Ų1924.5 Ų24.510%0.09913%0.133CC..Hα-helixtrans-61.4-39.4176.5-73.9170.2000112.4S8 L95 T96 Q102 W103 V137 M141S8-L99 WeakPolarHBondContact OG-CD2 3.49Å; L95-L99 HydrophobicContact CD1-CD1 4.35Å; L95-L99 HydrophobicContact CD1-CG 4.42Å; L95-L99 HydrophobicContact CG-CD1 4.34Å; L95-L99 WeakPolarHBondContact O-CG 3.45Å; L95-L99 PolarHBondContact O-N 3.38Å; T96-L99 PolarHBondContact O-N 3.05Å; L99-Q102 PolarHBondContact O-N 3.38Å; L99-W103 PolarHBondContact O-N 3.42Å; L99-W103 VanDerWaalsContact O-N 3.15Å; L99-V137 HydrophobicContact CB-CG1 4.18Å; L99-V137 HydrophobicContact CD2-CG2 4.47Å; L99-M141 HydrophobicContact CB-CE 3.56Å
100F97.6Very high95.9Very high13 Ų1323.7 Ų23.76%0.05714%0.135CC..Hα-helixtrans-62.5-53.2177.7-174.1-77.9000110.6T96 S97 E98 Q102 W103 C104 D105 M141 W146 K149 L151 V154T96-F100 WeakPolarHBondContact O-CB 3.27Å; T96-F100 PolarHBondContact O-N 3.47Å; S97-F100 PolarHBondContact O-N 3.16Å; E98-F100 VanDerWaalsContact C-N 3.31Å; E98-F100 PolarHBondContact O-N 3.41Å; F100-Q102 PolarHBondContact O-N 3.33Å; F100-W103 PolarHBondContact O-N 3.12Å; F100-C104 HydrophobicContact CD1-CB 3.97Å; F100-C104 HydrophobicContact CD2-CB 3.79Å; F100-C104 HydrophobicContact CE1-CB 3.89Å; F100-C104 HydrophobicContact CE2-CB 3.7Å; F100-C104 HydrophobicContact CG-CB 3.92Å; F100-C104 HydrophobicContact CZ-CB 3.75Å; F100-C104 WeakPolarHBondContact O-CA 3.31Å; F100-C104 WeakPolarHBondContact O-CB 3.39Å; F100-C104 PolarHBondContact O-N 3.47Å; F100-D105 PolarHBondContact O-N 3.27Å; F100-M141 HydrophobicContact CB-CE 4.35Å; F100-M141 HydrophobicContact CB-SD 4.34Å; F100-M141 HydrophobicContact CD2-CG 4Å; F100-M141 HydrophobicContact CD2-SD 4.16Å; F100-W146 HydrophobicContact CB-CE3 4.3Å; F100-W146 HydrophobicContact CB-CZ3 4.45Å; F100-W146 HydrophobicContact CD2-CE3 4.05Å; F100-W146 WeakPolarHBondContact CE2-O 3.48Å; F100-W146 HydrophobicContact CG-CE3 4.36Å; F100-K149 HydrophobicContact CE2-CB 4.34Å; F100-K149 HydrophobicContact CZ-CB 4.44Å; F100-K149 VanDerWaalsContact CZ-O 3.31Å; F100-K149 WeakPolarHBondContact CZ-O 3.44Å; F100-L151 HydrophobicContact CD1-CD2 4.27Å; F100-L151 HydrophobicContact CE1-CD2 4.14Å; F100-V154 HydrophobicContact CB-CG1 4.48Å; F100-V154 HydrophobicContact CD1-CB 4.37Å; F100-V154 HydrophobicContact CD1-CG1 4.26Å; F100-V154 HydrophobicContact CD1-CG2 3.61Å; F100-V154 HydrophobicContact CD2-CG2 4.2Å; F100-V154 HydrophobicContact CE1-CG2 3.79Å; F100-V154 HydrophobicContact CE2-CG2 4.35Å; F100-V154 HydrophobicContact CG-CG2 3.84Å; F100-V154 HydrophobicContact CZ-CG2 4.16Å
101V95.9Very high95.7Very high3 Ų330.4 Ų30.42%0.01817%0.166CC..Hα-helixtrans-59.4-38.1179.31730000110.6S97 E98 D105 T108 L151 V154 Y155 L199S97-V101 VanDerWaalsContact O-CG2 3.32Å; S97-V101 WeakPolarHBondContact O-CG2 3.11Å; S97-V101 PolarHBondContact O-N 3.41Å; E98-V101 PolarHBondContact O-N 2.95Å; V101-D105 WeakPolarHBondContact O-CB 3.33Å; V101-T108 HydrophobicContact CG1-CG2 4.46Å; V101-T108 VanDerWaalsContact O-CB 3.25Å; V101-T108 WeakPolarHBondContact O-CB 3.48Å; V101-T108 WeakPolarHBondContact O-CG2 3.46Å; V101-L151 HydrophobicContact CG2-CD2 3.94Å; V101-V154 HydrophobicContact CG2-CG1 4.34Å; V101-Y155 HydrophobicContact CG2-CE1 4.11Å; V101-L199 HydrophobicContact CG1-CD1 4.06Å
102Q95.1Very high95.5Very high4 Ų429 Ų292%0.01916%0.162CC..Hα-helixtrans-69.3-36.4-179-73-177.6-74.500114.8L6 L7 S8 E98 L99 F100 A109 S113L6-Q102 VanDerWaalsContact CB-NE2 3.28Å; L7-Q102 HydrophobicContact CB-CG 4.06Å; L7-Q102 HydrophobicContact CD2-CG 4.42Å; S8-Q102 VanDerWaalsContact CB-OE1 3.31Å; S8-Q102 VanDerWaalsContact N-OE1 3.15Å; S8-Q102 PolarHBondContact OG-OE1 3.27Å; E98-Q102 WeakPolarHBondContact O-CB 3.49Å; E98-Q102 WeakPolarHBondContact O-CG 3.3Å; E98-Q102 PolarHBondContact O-N 3.48Å; E98-Q102 PolarHBondContact O-OE1 3.15Å; L99-Q102 PolarHBondContact O-N 3.38Å; F100-Q102 PolarHBondContact O-N 3.33Å; Q102-A109 WeakPolarHBondContact O-CA 3.34Å; Q102-S113 WeakPolarHBondContact CA-OG 3.29Å; Q102-S113 WeakPolarHBondContact O-CB 3.5Å; Q102-S113 PolarHBondContact O-OG 3.34Å
103W96.6Very high95.4Very high1 Ų124.9 Ų24.90%0.00414%0.141CC..Hα-helixtrans-125.3-19.2-164.8-63.8106000114.5L6 L99 F100 R114 Y117 A130 K133 Q134 V137 R138L6-W103 HydrophobicContact CD1-CZ2 3.58Å; L99-W103 PolarHBondContact O-N 3.42Å; L99-W103 VanDerWaalsContact O-N 3.15Å; F100-W103 PolarHBondContact O-N 3.12Å; W103-R114 HydrophobicContact CZ3-CG 4.03Å; W103-Y117 HydrophobicContact CH2-CD1 4.4Å; W103-Y117 HydrophobicContact CH2-CD2 4.44Å; W103-Y117 HydrophobicContact CH2-CG 4.01Å; W103-Y117 HydrophobicContact CZ2-CD2 4.41Å; W103-Y117 HydrophobicContact CZ2-CG 4.42Å; W103-A130 WeakPolarHBondContact CZ3-O 3.4Å; W103-K133 HydrophobicContact CD2-CG 4.47Å; W103-K133 HydrophobicContact CH2-CB 3.97Å; W103-K133 HydrophobicContact CH2-CG 3.72Å; W103-K133 HydrophobicContact CZ2-CB 4.2Å; W103-K133 HydrophobicContact CZ2-CG 3.43Å; W103-K133 VanDerWaalsContact CZ2-CG 3.43Å; W103-K133 HydrophobicContact CZ3-CB 4.35Å; W103-K133 HydrophobicContact CZ3-CG 4.37Å; W103-Q134 HydrophobicContact CB-CG 4.35Å; W103-Q134 HydrophobicContact CE3-CB 3.59Å; W103-Q134 HydrophobicContact CE3-CG 3.93Å; W103-Q134 HydrophobicContact CZ3-CB 4.02Å; W103-Q134 VanDerWaalsContact O-CG 3.31Å; W103-Q134 WeakPolarHBondContact O-CG 3.45Å; W103-Q134 PolarHBondContact O-NE2 3.25Å; W103-V137 HydrophobicContact CB-CB 3.83Å; W103-V137 HydrophobicContact CB-CG1 3.7Å; W103-V137 HydrophobicContact CB-CG2 4.32Å; W103-V137 HydrophobicContact CG-CB 4.06Å; W103-V137 HydrophobicContact CG-CG1 4.13Å; W103-V137 HydrophobicContact CG-CG2 3.99Å; W103-R138 PolarHBondContact O-NE 2.85Å
104C96.5Very high95.3Very high24 Ų2425 Ų2516%0.16214%0.138CC..THydrogen-bonded Turntrans-99.3-31179.1-57.40000112.2F100 D106F100-C104 HydrophobicContact CD1-CB 3.97Å; F100-C104 HydrophobicContact CD2-CB 3.79Å; F100-C104 HydrophobicContact CE1-CB 3.89Å; F100-C104 HydrophobicContact CE2-CB 3.7Å; F100-C104 HydrophobicContact CG-CB 3.92Å; F100-C104 HydrophobicContact CZ-CB 3.75Å; F100-C104 WeakPolarHBondContact O-CA 3.31Å; F100-C104 WeakPolarHBondContact O-CB 3.39Å; F100-C104 PolarHBondContact O-N 3.47Å; C104-D106 PolarHBondContact O-N 3.15Å
105D94.8Very high95.1Very high30 Ų3027.8 Ų27.816%0.1616%0.156CC..SBendtrans-72.9113.9164.9172.741.9000110.5F100 V101 A107 T108 A109 L151F100-D105 PolarHBondContact O-N 3.27Å; V101-D105 WeakPolarHBondContact O-CB 3.33Å; D105-A107 VanDerWaalsContact C-N 3.26Å; D105-A107 PolarHBondContact O-N 3.41Å; D105-A107 PolarHBondContact OD1-N 3.45Å; D105-T108 PolarHBondContact O-N 2.91Å; D105-T108 WeakPolarHBondContact OD2-CB 3.31Å; D105-T108 PolarHBondContact OD2-N 2.9Å; D105-T108 PolarHBondContact OD2-OG1 2.89Å; D105-A109 WeakPolarHBondContact O-CB 3.41Å; D105-A109 PolarHBondContact O-N 2.94Å; D105-L151 HydrophobicContact CB-CD1 4.1Å; D105-L151 HydrophobicContact CB-CD2 4.14Å; D105-L151 HydrophobicContact CB-CG 4.43Å
106D94Very high94.8Very high103 Ų10329.3 Ų29.355%0.55116%0.16SC*.Hα-helixtrans-62.5-32.6-175.8-78.3-40.9000112.7C104 G110 R138C104-D106 PolarHBondContact O-N 3.15Å; D106-G110 PolarHBondContact O-N 2.87Å; D106-R138 IonicContact OD1-CZ 2.82Å; D106-R138 IonicContact OD1-NH2 3.62Å; D106-R138 PolarHBondContact OD1-NH2 3.4Å
107A93.5Very high94.5Very high42 Ų4230.3 Ų30.335%0.34716%0.163SC..Hα-helixtrans-66.6-56.5178.200000110.5D105 A109 G110 E111D105-A107 VanDerWaalsContact C-N 3.26Å; D105-A107 PolarHBondContact O-N 3.41Å; D105-A107 PolarHBondContact OD1-N 3.45Å; A107-A109 VanDerWaalsContact C-N 3.31Å; A107-A109 PolarHBondContact O-N 3.49Å; A107-G110 PolarHBondContact O-N 3.47Å; A107-E111 WeakPolarHBondContact O-CB 3.43Å; A107-E111 WeakPolarHBondContact O-CG 3.37Å; A107-E111 PolarHBondContact O-N 2.93Å
108T93.7Very high94.2Very high1 Ų131.3 Ų31.31%0.00617%0.17CC..Hα-helixtrans-59.9-41.3176-57.80000112V101 D105 G110 I112 S113 L199 T200V101-T108 HydrophobicContact CG1-CG2 4.46Å; V101-T108 VanDerWaalsContact O-CB 3.25Å; V101-T108 WeakPolarHBondContact O-CB 3.48Å; V101-T108 WeakPolarHBondContact O-CG2 3.46Å; D105-T108 PolarHBondContact O-N 2.91Å; D105-T108 WeakPolarHBondContact OD2-CB 3.31Å; D105-T108 PolarHBondContact OD2-N 2.9Å; D105-T108 PolarHBondContact OD2-OG1 2.89Å; T108-G110 VanDerWaalsContact C-N 3.33Å; T108-G110 PolarHBondContact O-N 3.48Å; T108-I112 HydrophobicContact CG2-CB 4.36Å; T108-I112 WeakPolarHBondContact O-CA 3.47Å; T108-I112 WeakPolarHBondContact O-CB 3.39Å; T108-I112 PolarHBondContact O-N 3.48Å; T108-S113 PolarHBondContact O-N 3.18Å; T108-L199 HydrophobicContact CG2-CD2 4.47Å; T108-T200 PolarHBondContact OG1-OG1 3.27Å
109A94.9Very high93.9Very high0 Ų034.2 Ų34.20%019%0.19CC..Iπ-helixtrans-64.4-37.2179.500000112.4Q102 D105 A107 R114Q102-A109 WeakPolarHBondContact O-CA 3.34Å; D105-A109 WeakPolarHBondContact O-CB 3.41Å; D105-A109 PolarHBondContact O-N 2.94Å; A107-A109 VanDerWaalsContact C-N 3.31Å; A107-A109 PolarHBondContact O-N 3.49Å; A109-R114 VanDerWaalsContact O-CB 3.27Å; A109-R114 WeakPolarHBondContact O-CB 3.47Å; A109-R114 VanDerWaalsContact O-CG 3.25Å; A109-R114 WeakPolarHBondContact O-CG 3.35Å; A109-R114 PolarHBondContact O-N 2.92Å; A109-R114 PolarHBondContact O-NE 3.01Å
110G94.8Very high93.4Very high27 Ų2735.3 Ų35.328%0.27820%0.199SC..Iπ-helixtrans-77.6-45177.600000114.8D106 A107 T108 P115D106-G110 PolarHBondContact O-N 2.87Å; A107-G110 PolarHBondContact O-N 3.47Å; T108-G110 VanDerWaalsContact C-N 3.33Å; T108-G110 PolarHBondContact O-N 3.48Å; G110-P115 VanDerWaalsContact O-CD 3.27Å; G110-P115 WeakPolarHBondContact O-CD 3.42Å; G110-P115 WeakPolarHBondContact O-CG 3.46Å
111E93.4Very high92.9Very high141 Ų14136.7 Ų36.766%0.65920%0.204SC*.Iπ-helixtrans-86.7-28.1-171.2-65.4177.5-161.100112.8A107 T200A107-E111 WeakPolarHBondContact O-CB 3.43Å; A107-E111 WeakPolarHBondContact O-CG 3.37Å; A107-E111 PolarHBondContact O-N 2.93Å; E111-T200 HydrophobicContact CB-CG2 4.39Å
112I92.3Very high92.6Very high25 Ų2540.8 Ų40.813%0.12823%0.233CC..Iπ-helixtrans-122.7-62.1-171.2-56.1-177.4000111.5T108 P115 R116 T200T108-I112 HydrophobicContact CG2-CB 4.36Å; T108-I112 WeakPolarHBondContact O-CA 3.47Å; T108-I112 WeakPolarHBondContact O-CB 3.39Å; T108-I112 PolarHBondContact O-N 3.48Å; I112-P115 WeakPolarHBondContact O-CD 3.46Å; I112-R116 VanDerWaalsContact CG2-CZ 3.49Å; I112-R116 WeakPolarHBondContact O-CB 3.27Å; I112-R116 VanDerWaalsContact O-CG 3.3Å; I112-R116 WeakPolarHBondContact O-CG 3.27Å; I112-R116 PolarHBondContact O-N 3.2Å; I112-T200 HydrophobicContact CD1-CG2 3.8Å; I112-T200 HydrophobicContact CG1-CG2 4.23Å
113S93.8Very high92.4Very high1 Ų150.6 Ų50.61%0.00727%0.27CS..Iπ-helixtrans-68.7-49.5-165.1-53.70000113.1Q102 T108 R116 Y117Q102-S113 WeakPolarHBondContact CA-OG 3.29Å; Q102-S113 WeakPolarHBondContact O-CB 3.5Å; Q102-S113 PolarHBondContact O-OG 3.34Å; T108-S113 PolarHBondContact O-N 3.18Å; S113-R116 PolarHBondContact O-N 3.48Å; S113-Y117 VanDerWaalsContact O-CB 3.24Å; S113-Y117 WeakPolarHBondContact O-CB 3.41Å; S113-Y117 PolarHBondContact O-N 2.98Å
114R94.4Very high92.2Very high54 Ų5453.6 Ų53.620%0.20429%0.289CS..Hα-helixtrans-63.5-47.5178.6-73.1177.5-72.1178.5-10.1112.2W103 A109 R116 Y117 S118 A130 Y131W103-R114 HydrophobicContact CZ3-CG 4.03Å; A109-R114 VanDerWaalsContact O-CB 3.27Å; A109-R114 WeakPolarHBondContact O-CB 3.47Å; A109-R114 VanDerWaalsContact O-CG 3.25Å; A109-R114 WeakPolarHBondContact O-CG 3.35Å; A109-R114 PolarHBondContact O-N 2.92Å; A109-R114 PolarHBondContact O-NE 3.01Å; R114-R116 PolarHBondContact O-N 3.4Å; R114-Y117 PolarHBondContact O-N 2.9Å; R114-S118 VanDerWaalsContact O-CB 3.29Å; R114-S118 WeakPolarHBondContact O-CB 3.38Å; R114-S118 PolarHBondContact O-N 3.41Å; R114-S118 PolarHBondContact O-OG 2.67Å; R114-A130 HydrophobicContact CB-CB 4.1Å; R114-A130 HydrophobicContact CG-CB 3.95Å; R114-Y131 PolarHBondContact NH1-OH 3.43Å
115P92.7Very high91.9Very high60 Ų6056.4 Ų56.439%0.3930%0.302SS..Hα-helixtrans-58.8-42.8175.8-27.636.1000113.9G110 I112 S118 S119G110-P115 VanDerWaalsContact O-CD 3.27Å; G110-P115 WeakPolarHBondContact O-CD 3.42Å; G110-P115 WeakPolarHBondContact O-CG 3.46Å; I112-P115 WeakPolarHBondContact O-CD 3.46Å; P115-S118 PolarHBondContact O-OG 3.03Å; P115-S119 WeakPolarHBondContact O-CB 3.39Å; P115-S119 PolarHBondContact O-N 2.98Å; P115-S119 VanDerWaalsContact O-N 3.07Å
116R90.8Very high91.8Very high62 Ų6255 Ų5523%0.23430%0.296CS..Hα-helixtrans-64.7-48177.7-74-172.2-17416810.9111.6D3 L6 I112 S113 R114 S118 S119D3-R116 WeakPolarHBondContact O-CD 3.43Å; D3-R116 WeakPolarHBondContact O-CG 3.4Å; L6-R116 HydrophobicContact CD2-CB 4.26Å; I112-R116 VanDerWaalsContact CG2-CZ 3.49Å; I112-R116 WeakPolarHBondContact O-CB 3.27Å; I112-R116 VanDerWaalsContact O-CG 3.3Å; I112-R116 WeakPolarHBondContact O-CG 3.27Å; I112-R116 PolarHBondContact O-N 3.2Å; S113-R116 PolarHBondContact O-N 3.48Å; R114-R116 PolarHBondContact O-N 3.4Å; R116-S118 PolarHBondContact O-N 3.38Å; R116-S119 PolarHBondContact O-N 2.89Å; R116-S119 PolarHBondContact O-OG 3.16Å
117Y90.7Very high91.7Very high26 Ų2653.5 Ų53.510%0.10229%0.288CS..Hα-helixtrans-66.4-35.8-178.5-168.1-99.3000112.8L6 E36 W103 S113 R114 P120 L129 A130 K133L6-Y117 HydrophobicContact CD1-CD2 3.79Å; E36-Y117 WeakPolarHBondContact OE2-CE2 3.38Å; E36-Y117 PolarHBondContact OE2-OH 3.4Å; W103-Y117 HydrophobicContact CH2-CD1 4.4Å; W103-Y117 HydrophobicContact CH2-CD2 4.44Å; W103-Y117 HydrophobicContact CH2-CG 4.01Å; W103-Y117 HydrophobicContact CZ2-CD2 4.41Å; W103-Y117 HydrophobicContact CZ2-CG 4.42Å; S113-Y117 VanDerWaalsContact O-CB 3.24Å; S113-Y117 WeakPolarHBondContact O-CB 3.41Å; S113-Y117 PolarHBondContact O-N 2.98Å; R114-Y117 PolarHBondContact O-N 2.9Å; Y117-P120 VanDerWaalsContact O-CD 3.29Å; Y117-P120 WeakPolarHBondContact O-CD 3.45Å; Y117-L129 HydrophobicContact CE1-CB 3.91Å; Y117-A130 HydrophobicContact CD1-CB 3.87Å; Y117-K133 HydrophobicContact CE1-CB 4.05Å; Y117-K133 HydrophobicContact CE2-CD 4.48Å; Y117-K133 HydrophobicContact CE2-CG 4.36Å
118S90.9Very high91.8Very high22 Ų2255.5 Ų55.515%0.15429%0.291CS..Hα-helixtrans-79.4-24.2179.4690000113.5R114 P115 R116 P120 Y121 G126R114-S118 VanDerWaalsContact O-CB 3.29Å; R114-S118 WeakPolarHBondContact O-CB 3.38Å; R114-S118 PolarHBondContact O-N 3.41Å; R114-S118 PolarHBondContact O-OG 2.67Å; P115-S118 PolarHBondContact O-OG 3.03Å; R116-S118 PolarHBondContact O-N 3.38Å; S118-P120 VanDerWaalsContact C-N 3.28Å; S118-P120 WeakPolarHBondContact O-CD 3.47Å; S118-Y121 PolarHBondContact O-N 3.4Å; S118-G126 WeakPolarHBondContact CB-O 3.28Å
119S89.1Confident91.7Very high60 Ų6056.4 Ų56.442%0.4230%0.296SS..THydrogen-bonded Turntrans-49.9-31.9-173.871.20000116.6Q4 P115 R116Q4-S119 WeakPolarHBondContact CG-OG 3.46Å; P115-S119 WeakPolarHBondContact O-CB 3.39Å; P115-S119 PolarHBondContact O-N 2.98Å; P115-S119 VanDerWaalsContact O-N 3.07Å; R116-S119 PolarHBondContact O-N 2.89Å; R116-S119 PolarHBondContact O-OG 3.16Å
120P87Confident91.7Very high43 Ų4356.4 Ų56.428%0.27930%0.296SS..THydrogen-bonded Turntrans-83.4-10.2179.4-11.530.3000114.9Y33 Y117 S118Y33-P120 VanDerWaalsContact CB-CB 3.4Å; Y33-P120 HydrophobicContact CD2-CB 4.08Å; Y33-P120 HydrophobicContact CG-CB 3.94Å; Y117-P120 VanDerWaalsContact O-CD 3.29Å; Y117-P120 WeakPolarHBondContact O-CD 3.45Å; S118-P120 VanDerWaalsContact C-N 3.28Å; S118-P120 WeakPolarHBondContact O-CD 3.47Å
121Y86.9Confident91.7Very high41 Ų4161.5 Ų61.516%0.16131%0.308CS..SBendtrans-111.2146-173-55.5-76.6000111.2Y33 Y37 S118 L125 L129Y33-Y121 PolarHBondContact O-OH 2.89Å; Y37-Y121 HydrophobicContact CE2-CE1 4.14Å; Y37-Y121 VanDerWaalsContact CE2-OH 3.3Å; Y37-Y121 WeakPolarHBondContact CE2-OH 3.44Å; S118-Y121 PolarHBondContact O-N 3.4Å; Y121-L125 HydrophobicContact CD1-CD2 4.23Å; Y121-L129 HydrophobicContact CD1-CD1 4.01Å; Y121-L129 HydrophobicContact CD2-CD1 3.97Å; Y121-L129 HydrophobicContact CE1-CD1 4.04Å; Y121-L129 HydrophobicContact CE2-CD1 4Å; Y121-L129 HydrophobicContact CG-CD1 3.99Å
122S89.6Confident91.8Very high90 Ų9059.5 Ų59.563%0.62930%0.299SS*.  trans-68.7153.6173.553.30000111.7L125 G126S122-L125 WeakPolarHBondContact O-CB 3.45Å; S122-L125 PolarHBondContact O-N 2.83Å; S122-G126 PolarHBondContact O-N 3.05Å; S122-G126 VanDerWaalsContact O-N 3.13Å
123W89.4Confident91.9Very high209 Ų20960.1 Ų60.179%0.79230%0.3SS*.THydrogen-bonded Turntrans-68.7137.2168.3-174.392.2000109.8
124P92.8Very high92.1Very high64 Ų6460.6 Ų60.642%0.41630%0.303SS..THydrogen-bonded Turncis-92.8-4.85.535.9-35.9000115.1G126 N127 I128P124-G126 PolarHBondContact O-N 3.48Å; P124-N127 PolarHBondContact O-N 3.3Å; P124-I128 HydrophobicContact CB-CD1 4.4Å; P124-I128 HydrophobicContact CG-CD1 4.49Å; P124-I128 PolarHBondContact O-N 2.83Å
125L91.4Very high92.2Very high83 Ų8365.4 Ų65.444%0.43532%0.321SS..Hα-helixtrans-54.8-46.5-171.9179.362.7000112.8Y121 S122 N127 I128 L129Y121-L125 HydrophobicContact CD1-CD2 4.23Å; S122-L125 WeakPolarHBondContact O-CB 3.45Å; S122-L125 PolarHBondContact O-N 2.83Å; L125-N127 VanDerWaalsContact C-N 3.29Å; L125-N127 PolarHBondContact O-N 3.23Å; L125-I128 PolarHBondContact O-N 3.23Å; L125-I128 VanDerWaalsContact O-N 3.14Å; L125-L129 HydrophobicContact CD1-CD1 3.94Å; L125-L129 HydrophobicContact CD1-CD2 4.31Å; L125-L129 HydrophobicContact CD1-CG 3.88Å; L125-L129 HydrophobicContact CD2-CD1 4.37Å; L125-L129 HydrophobicContact CG-CD1 3.8Å; L125-L129 HydrophobicContact CG-CG 4.16Å; L125-L129 WeakPolarHBondContact O-CG 3.27Å; L125-L129 PolarHBondContact O-N 3.4Å
126G91.3Very high92.4Very high2 Ų267.8 Ų67.82%0.02133%0.327CS..Hα-helixtrans-58.5-38.3-178.600000113.8S118 S122 P124 A130S118-G126 WeakPolarHBondContact CB-O 3.28Å; S122-G126 PolarHBondContact O-N 3.05Å; S122-G126 VanDerWaalsContact O-N 3.13Å; P124-G126 PolarHBondContact O-N 3.48Å; G126-A130 WeakPolarHBondContact O-CB 3.34Å; G126-A130 PolarHBondContact O-N 2.91Å
127N92.3Very high92.6Very high71 Ų7165.3 Ų65.338%0.3832%0.318SS..Hα-helixtrans-68.3-46.3176.3-74.8-18.9000111P124 L125 L129 A130 Y131P124-N127 PolarHBondContact O-N 3.3Å; L125-N127 VanDerWaalsContact C-N 3.29Å; L125-N127 PolarHBondContact O-N 3.23Å; N127-L129 VanDerWaalsContact C-N 3.33Å; N127-L129 PolarHBondContact O-N 2.99Å; N127-A130 PolarHBondContact O-N 3.32Å; N127-Y131 VanDerWaalsContact O-CD2 3.23Å; N127-Y131 WeakPolarHBondContact O-CD2 3.18Å; N127-Y131 PolarHBondContact O-N 3.48Å
128I94.9Very high93Very high83 Ų8368.3 Ų68.343%0.42633%0.329SS..Hα-helixtrans-57.6-48.7179.4-64.7169.4000110.1P124 L125 A130 Y131 Q132P124-I128 HydrophobicContact CB-CD1 4.4Å; P124-I128 HydrophobicContact CG-CD1 4.49Å; P124-I128 PolarHBondContact O-N 2.83Å; L125-I128 PolarHBondContact O-N 3.23Å; L125-I128 VanDerWaalsContact O-N 3.14Å; I128-A130 PolarHBondContact O-N 2.88Å; I128-Y131 PolarHBondContact O-N 3.34Å; I128-Q132 HydrophobicContact CG2-CG 4.46Å; I128-Q132 WeakPolarHBondContact O-CB 3.07Å; I128-Q132 VanDerWaalsContact O-CG 3.31Å; I128-Q132 WeakPolarHBondContact O-CG 3.36Å; I128-Q132 PolarHBondContact O-N 3.48Å
129L92.6Very high93.3Very high20 Ų2075 Ų7511%0.10535%0.351CS..Hα-helixtrans-62.3-42.3179-67.1176.8000112Y37 Y117 Y121 L125 N127 Y131 Q132 K133Y37-L129 WeakPolarHBondContact OH-CD1 3.24Å; Y37-L129 WeakPolarHBondContact OH-CD2 3.43Å; Y117-L129 HydrophobicContact CE1-CB 3.91Å; Y121-L129 HydrophobicContact CD1-CD1 4.01Å; Y121-L129 HydrophobicContact CD2-CD1 3.97Å; Y121-L129 HydrophobicContact CE1-CD1 4.04Å; Y121-L129 HydrophobicContact CE2-CD1 4Å; Y121-L129 HydrophobicContact CG-CD1 3.99Å; L125-L129 HydrophobicContact CD1-CD1 3.94Å; L125-L129 HydrophobicContact CD1-CD2 4.31Å; L125-L129 HydrophobicContact CD1-CG 3.88Å; L125-L129 HydrophobicContact CD2-CD1 4.37Å; L125-L129 HydrophobicContact CG-CD1 3.8Å; L125-L129 HydrophobicContact CG-CG 4.16Å; L125-L129 WeakPolarHBondContact O-CG 3.27Å; L125-L129 PolarHBondContact O-N 3.4Å; N127-L129 VanDerWaalsContact C-N 3.33Å; N127-L129 PolarHBondContact O-N 2.99Å; L129-Y131 PolarHBondContact O-N 3.46Å; L129-Q132 PolarHBondContact O-N 3.3Å; L129-K133 WeakPolarHBondContact O-CB 3.45Å; L129-K133 PolarHBondContact O-N 3.42Å
130A94.1Very high93.7Very high1 Ų176.5 Ų76.51%0.00835%0.351CS..Hα-helixtrans-64.6-40.217900000112.8W103 R114 Y117 G126 N127 I128 Q134W103-A130 WeakPolarHBondContact CZ3-O 3.4Å; R114-A130 HydrophobicContact CB-CB 4.1Å; R114-A130 HydrophobicContact CG-CB 3.95Å; Y117-A130 HydrophobicContact CD1-CB 3.87Å; G126-A130 WeakPolarHBondContact O-CB 3.34Å; G126-A130 PolarHBondContact O-N 2.91Å; N127-A130 PolarHBondContact O-N 3.32Å; I128-A130 PolarHBondContact O-N 2.88Å; A130-Q134 WeakPolarHBondContact O-CB 3.24Å; A130-Q134 PolarHBondContact O-N 3.43Å
131Y95.8Very high94.2Very high134 Ų13474.5 Ų74.553%0.52534%0.337SS..Hα-helixtrans-69.5-37.6174.4-83.1-76.4000112.5R114 N127 I128 L129 Q134 W135R114-Y131 PolarHBondContact NH1-OH 3.43Å; N127-Y131 VanDerWaalsContact O-CD2 3.23Å; N127-Y131 WeakPolarHBondContact O-CD2 3.18Å; N127-Y131 PolarHBondContact O-N 3.48Å; I128-Y131 PolarHBondContact O-N 3.34Å; L129-Y131 PolarHBondContact O-N 3.46Å; Y131-Q134 PolarHBondContact O-N 2.66Å; Y131-W135 WeakPolarHBondContact O-CB 3.34Å; Y131-W135 PolarHBondContact O-N 2.93Å
132Q95.4Very high94.7Very high99 Ų9977.6 Ų77.646%0.46336%0.357SS..Hα-helixtrans-60.1-49.1173.1-76.1175.4-5.500110.9I128 L129 Q134 W135 E136I128-Q132 HydrophobicContact CG2-CG 4.46Å; I128-Q132 WeakPolarHBondContact O-CB 3.07Å; I128-Q132 VanDerWaalsContact O-CG 3.31Å; I128-Q132 WeakPolarHBondContact O-CG 3.36Å; I128-Q132 PolarHBondContact O-N 3.48Å; L129-Q132 PolarHBondContact O-N 3.3Å; Q132-Q134 VanDerWaalsContact C-N 3.34Å; Q132-Q134 PolarHBondContact O-N 2.66Å; Q132-W135 WeakPolarHBondContact O-CB 3.42Å; Q132-W135 PolarHBondContact O-N 3.21Å; Q132-W135 VanDerWaalsContact O-N 3.16Å; Q132-E136 WeakPolarHBondContact O-CG 3.32Å; Q132-E136 PolarHBondContact O-N 2.97Å
133K94.1Very high95.1Very high37 Ų3777.6 Ų77.616%0.16136%0.362CS..Hα-helixtrans-57.7-45.2175.9-172.971.7174.1-149.30111.9E36 W103 Y117 L129 W135 E136 V137E36-K133 IonicContact OE1-NZ 2.74Å; E36-K133 PolarHBondContact OE1-NZ 2.97Å; W103-K133 HydrophobicContact CD2-CG 4.47Å; W103-K133 HydrophobicContact CH2-CB 3.97Å; W103-K133 HydrophobicContact CH2-CG 3.72Å; W103-K133 HydrophobicContact CZ2-CB 4.2Å; W103-K133 HydrophobicContact CZ2-CG 3.43Å; W103-K133 VanDerWaalsContact CZ2-CG 3.43Å; W103-K133 HydrophobicContact CZ3-CB 4.35Å; W103-K133 HydrophobicContact CZ3-CG 4.37Å; Y117-K133 HydrophobicContact CE1-CB 4.05Å; Y117-K133 HydrophobicContact CE2-CD 4.48Å; Y117-K133 HydrophobicContact CE2-CG 4.36Å; L129-K133 WeakPolarHBondContact O-CB 3.45Å; L129-K133 PolarHBondContact O-N 3.42Å; K133-W135 VanDerWaalsContact C-N 3.33Å; K133-W135 PolarHBondContact O-N 2.95Å; K133-E136 PolarHBondContact O-N 3.38Å; K133-V137 WeakPolarHBondContact O-CG2 3.42Å; K133-V137 PolarHBondContact O-N 3.33Å
134Q97.2Very high95.4Very high11 Ų1171.4 Ų71.45%0.05134%0.343CS..Hα-helixtrans-60.1-43.9177-169.1175.36.800111.8W103 A130 Y131 Q132 V137 R138W103-Q134 HydrophobicContact CB-CG 4.35Å; W103-Q134 HydrophobicContact CE3-CB 3.59Å; W103-Q134 HydrophobicContact CE3-CG 3.93Å; W103-Q134 HydrophobicContact CZ3-CB 4.02Å; W103-Q134 VanDerWaalsContact O-CG 3.31Å; W103-Q134 WeakPolarHBondContact O-CG 3.45Å; W103-Q134 PolarHBondContact O-NE2 3.25Å; A130-Q134 WeakPolarHBondContact O-CB 3.24Å; A130-Q134 PolarHBondContact O-N 3.43Å; Y131-Q134 PolarHBondContact O-N 2.66Å; Q132-Q134 VanDerWaalsContact C-N 3.34Å; Q132-Q134 PolarHBondContact O-N 2.66Å; Q134-V137 PolarHBondContact O-N 3.05Å; Q134-R138 VanDerWaalsContact NE2-NH2 3.17Å; Q134-R138 WeakPolarHBondContact O-CG 3.37Å; Q134-R138 PolarHBondContact O-N 3.49Å
135W97.3Very high95.5Very high156 Ų15671.2 Ų71.259%0.59135%0.354SS*.Hα-helixtrans-64.4-43.4177.5178.280.8000112.3Y131 Q132 K133 V137 R138 R139Y131-W135 WeakPolarHBondContact O-CB 3.34Å; Y131-W135 PolarHBondContact O-N 2.93Å; Q132-W135 WeakPolarHBondContact O-CB 3.42Å; Q132-W135 PolarHBondContact O-N 3.21Å; Q132-W135 VanDerWaalsContact O-N 3.16Å; K133-W135 VanDerWaalsContact C-N 3.33Å; K133-W135 PolarHBondContact O-N 2.95Å; W135-V137 PolarHBondContact O-N 3.1Å; W135-R138 PolarHBondContact O-N 3.32Å; W135-R139 WeakPolarHBondContact O-CB 3.29Å; W135-R139 PolarHBondContact O-N 2.86Å
136E96.1Very high95.8Very high110 Ų11068.4 Ų68.451%0.51434%0.337SS..Hα-helixtrans-58.9-46.5175.7-74176.918000111.9Q132 K133 R139 K140Q132-E136 WeakPolarHBondContact O-CG 3.32Å; Q132-E136 PolarHBondContact O-N 2.97Å; K133-E136 PolarHBondContact O-N 3.38Å; E136-R139 PolarHBondContact O-N 2.96Å; E136-K140 PolarHBondContact O-N 2.82Å
137V96.8Very high96Very high9 Ų970 Ų706%0.05535%0.354CS..Hα-helixtrans-65-44.3178.5176.60000110.7L99 W103 K133 Q134 W135 R139 K140 M141L99-V137 HydrophobicContact CB-CG1 4.18Å; L99-V137 HydrophobicContact CD2-CG2 4.47Å; W103-V137 HydrophobicContact CB-CB 3.83Å; W103-V137 HydrophobicContact CB-CG1 3.7Å; W103-V137 HydrophobicContact CB-CG2 4.32Å; W103-V137 HydrophobicContact CG-CB 4.06Å; W103-V137 HydrophobicContact CG-CG1 4.13Å; W103-V137 HydrophobicContact CG-CG2 3.99Å; K133-V137 WeakPolarHBondContact O-CG2 3.42Å; K133-V137 PolarHBondContact O-N 3.33Å; Q134-V137 PolarHBondContact O-N 3.05Å; W135-V137 PolarHBondContact O-N 3.1Å; V137-R139 VanDerWaalsContact C-N 3.31Å; V137-R139 PolarHBondContact O-N 3.06Å; V137-K140 WeakPolarHBondContact O-CB 3.47Å; V137-K140 PolarHBondContact O-N 3.24Å; V137-K140 VanDerWaalsContact O-N 3.15Å; V137-M141 HydrophobicContact CG1-CE 3.81Å; V137-M141 HydrophobicContact CG1-CG 4.38Å; V137-M141 WeakPolarHBondContact O-CG 3.5Å; V137-M141 PolarHBondContact O-N 2.96Å
138R97.9Very high96Very high89 Ų8970.2 Ų70.234%0.33637%0.373SS..Hα-helixtrans-60.3-40.1175.4-75.1178.9177.6-154.5-6.8112.2W103 D106 Q134 W135 M141 N142W103-R138 PolarHBondContact O-NE 2.85Å; D106-R138 IonicContact OD1-CZ 2.82Å; D106-R138 IonicContact OD1-NH2 3.62Å; D106-R138 PolarHBondContact OD1-NH2 3.4Å; Q134-R138 VanDerWaalsContact NE2-NH2 3.17Å; Q134-R138 WeakPolarHBondContact O-CG 3.37Å; Q134-R138 PolarHBondContact O-N 3.49Å; W135-R138 PolarHBondContact O-N 3.32Å; R138-M141 PolarHBondContact O-N 2.94Å; R138-N142 PolarHBondContact O-N 3.5Å; R138-N142 PolarHBondContact O-ND2 2.89Å
139R97.9Very high96.1Very high163 Ų16368.7 Ų68.762%0.61536%0.363SS*.Hα-helixtrans-64-42.1175.1-176.3178.4166.4-175.6-4.1111.3W135 E136 V137 N142 A143W135-R139 WeakPolarHBondContact O-CB 3.29Å; W135-R139 PolarHBondContact O-N 2.86Å; E136-R139 PolarHBondContact O-N 2.96Å; V137-R139 VanDerWaalsContact C-N 3.31Å; V137-R139 PolarHBondContact O-N 3.06Å; R139-N142 PolarHBondContact O-N 2.82Å; R139-A143 PolarHBondContact O-N 3.17Å
140K96.6Very high96.3Very high92 Ų9271.4 Ų71.440%0.438%0.381SS..Hα-helixtrans-58.2-48.3172.4-179.7-174.8175-172.30111E136 V137 N142 A143 I144E136-K140 PolarHBondContact O-N 2.82Å; V137-K140 WeakPolarHBondContact O-CB 3.47Å; V137-K140 PolarHBondContact O-N 3.24Å; V137-K140 VanDerWaalsContact O-N 3.15Å; K140-N142 VanDerWaalsContact C-N 3.33Å; K140-N142 PolarHBondContact O-N 3.46Å; K140-A143 PolarHBondContact O-N 3.24Å; K140-A143 VanDerWaalsContact O-N 3.12Å; K140-I144 WeakPolarHBondContact O-CG1 3.25Å; K140-I144 PolarHBondContact O-N 3.43Å; K140-I144 VanDerWaalsContact O-N 3.15Å
141M97.8Very high96.4Very high1 Ų173.7 Ų73.71%0.00539%0.392CS..Hα-helixtrans-60.3-42.1179.3-64.7-51.5154.700111.9T96 L99 F100 V137 R138 A143 I144 G145 W146 G147T96-M141 HydrophobicContact CG2-CE 4.02Å; T96-M141 HydrophobicContact CG2-SD 3.78Å; L99-M141 HydrophobicContact CB-CE 3.56Å; F100-M141 HydrophobicContact CB-CE 4.35Å; F100-M141 HydrophobicContact CB-SD 4.34Å; F100-M141 HydrophobicContact CD2-CG 4Å; F100-M141 HydrophobicContact CD2-SD 4.16Å; V137-M141 HydrophobicContact CG1-CE 3.81Å; V137-M141 HydrophobicContact CG1-CG 4.38Å; V137-M141 WeakPolarHBondContact O-CG 3.5Å; V137-M141 PolarHBondContact O-N 2.96Å; R138-M141 PolarHBondContact O-N 2.94Å; M141-A143 PolarHBondContact O-N 2.87Å; M141-I144 WeakPolarHBondContact O-CG1 3.49Å; M141-I144 PolarHBondContact O-N 3.02Å; M141-I144 HydrophobicContact SD-CD1 3.94Å; M141-G145 PolarHBondContact O-N 3.41Å; M141-W146 HydrophobicContact CB-CB 4.04Å; M141-W146 CarbonylContact O-C 3.53Å; M141-W146 WeakPolarHBondContact O-CA 3.19Å; M141-W146 PolarHBondContact O-N 3.35Å; M141-W146 HydrophobicContact SD-CB 4.06Å; M141-W146 HydrophobicContact SD-CE3 4.46Å; M141-G147 PolarHBondContact O-N 3.2Å
142N97.3Very high96.5Very high106 Ų10672 Ų7257%0.56739%0.389SS*.Hα-helixtrans-59.9-44.7173.6-78.8-68.4000112.3R138 R139 K140 I144 G145R138-N142 PolarHBondContact O-N 3.5Å; R138-N142 PolarHBondContact O-ND2 2.89Å; R139-N142 PolarHBondContact O-N 2.82Å; K140-N142 VanDerWaalsContact C-N 3.33Å; K140-N142 PolarHBondContact O-N 3.46Å; N142-I144 VanDerWaalsContact C-N 3.29Å; N142-I144 PolarHBondContact O-N 3.38Å; N142-G145 PolarHBondContact O-N 3.45Å; N142-G145 VanDerWaalsContact O-N 3.15Å
143A97.5Very high96.6Very high89 Ų8972 Ų7274%0.73639%0.389SS*.Hα-helixtrans-63.9-31.9-17800000113.6R139 K140 M141R139-A143 PolarHBondContact O-N 3.17Å; K140-A143 PolarHBondContact O-N 3.24Å; K140-A143 VanDerWaalsContact O-N 3.12Å; M141-A143 PolarHBondContact O-N 2.87Å
144I95.6Very high96.7Very high79 Ų7970.2 Ų70.241%0.40538%0.381SS..THydrogen-bonded Turntrans-93.78.4178.168.3175.4000113.2T96 K140 M141 N142 W146T96-I144 HydrophobicContact CG2-CD1 3.43Å; T96-I144 VanDerWaalsContact CG2-CD1 3.43Å; K140-I144 WeakPolarHBondContact O-CG1 3.25Å; K140-I144 PolarHBondContact O-N 3.43Å; K140-I144 VanDerWaalsContact O-N 3.15Å; M141-I144 WeakPolarHBondContact O-CG1 3.49Å; M141-I144 PolarHBondContact O-N 3.02Å; M141-I144 HydrophobicContact SD-CD1 3.94Å; N142-I144 VanDerWaalsContact C-N 3.29Å; N142-I144 PolarHBondContact O-N 3.38Å; I144-W146 HydrophobicContact CD1-CB 4.33Å; I144-W146 HydrophobicContact CD1-CD2 4.48Å; I144-W146 HydrophobicContact CD1-CG 4.01Å; I144-W146 HydrophobicContact CG1-CB 4.05Å; I144-W146 HydrophobicContact CG1-CG 4Å
145G95.9Very high96.7Very high61 Ų6170.3 Ų70.363%0.62938%0.381SS*.THydrogen-bonded Turntrans79.113.1178.900000115.3M141 N142M141-G145 PolarHBondContact O-N 3.41Å; N142-G145 PolarHBondContact O-N 3.45Å; N142-G145 VanDerWaalsContact O-N 3.15Å
146W97.5Very high96.7Very high23 Ų2366 Ų669%0.08737%0.368CS..  trans-94.7-9.3177.9-77.247.5000113.7M93 T96 S97 F100 M141 I144 G148 K149 V154 D157M93-W146 HydrophobicContact SD-CZ2 4.37Å; T96-W146 HydrophobicContact CG2-CD2 3.74Å; T96-W146 HydrophobicContact CG2-CE3 3.66Å; T96-W146 HydrophobicContact CG2-CG 4.44Å; T96-W146 HydrophobicContact CG2-CH2 3.93Å; T96-W146 HydrophobicContact CG2-CZ2 4.01Å; T96-W146 HydrophobicContact CG2-CZ3 3.75Å; S97-W146 VanDerWaalsContact OG-CH2 3.29Å; S97-W146 WeakPolarHBondContact OG-CH2 3.36Å; S97-W146 WeakPolarHBondContact OG-CZ3 3.48Å; F100-W146 HydrophobicContact CB-CE3 4.3Å; F100-W146 HydrophobicContact CB-CZ3 4.45Å; F100-W146 HydrophobicContact CD2-CE3 4.05Å; F100-W146 WeakPolarHBondContact CE2-O 3.48Å; F100-W146 HydrophobicContact CG-CE3 4.36Å; M141-W146 HydrophobicContact CB-CB 4.04Å; M141-W146 CarbonylContact O-C 3.53Å; M141-W146 WeakPolarHBondContact O-CA 3.19Å; M141-W146 PolarHBondContact O-N 3.35Å; M141-W146 HydrophobicContact SD-CB 4.06Å; M141-W146 HydrophobicContact SD-CE3 4.46Å; I144-W146 HydrophobicContact CD1-CB 4.33Å; I144-W146 HydrophobicContact CD1-CD2 4.48Å; I144-W146 HydrophobicContact CD1-CG 4.01Å; I144-W146 HydrophobicContact CG1-CB 4.05Å; I144-W146 HydrophobicContact CG1-CG 4Å; W146-G148 PolarHBondContact O-N 3.26Å; W146-K149 HydrophobicContact CB-CD 4.36Å; W146-K149 HydrophobicContact CD2-CD 3.77Å; W146-K149 HydrophobicContact CE3-CD 4.06Å; W146-K149 HydrophobicContact CG-CD 3.91Å; W146-K149 WeakPolarHBondContact O-CB 3.42Å; W146-K149 PolarHBondContact O-N 2.94Å; W146-V154 HydrophobicContact CE3-CG2 4.01Å; W146-V154 HydrophobicContact CZ3-CB 4.38Å; W146-V154 HydrophobicContact CZ3-CG1 4.03Å; W146-V154 HydrophobicContact CZ3-CG2 3.84Å; W146-D157 HydrophobicContact CH2-CB 4.07Å; W146-D157 WeakPolarHBondContact CH2-OD2 3.48Å; W146-D157 HydrophobicContact CZ2-CB 4.36Å
147G94.9Very high96.7Very high37 Ų3762 Ų6238%0.38135%0.35SS..THydrogen-bonded Turntrans-58.6-23-173.500000115.6M141M141-G147 PolarHBondContact O-N 3.2Å
148G93.3Very high96.8Very high75 Ų7561.5 Ų61.577%0.77335%0.347SS*.THydrogen-bonded Turntrans-107.57.1176.400000115W146W146-G148 PolarHBondContact O-N 3.26Å
149K97.1Very high96.8Very high51 Ų5158.6 Ų58.622%0.22234%0.338CS..  trans-70.5146.8179.9-78-169.6175-171.70111.4F100 W146 Q153 V154 D157F100-K149 HydrophobicContact CE2-CB 4.34Å; F100-K149 HydrophobicContact CZ-CB 4.44Å; F100-K149 VanDerWaalsContact CZ-O 3.31Å; F100-K149 WeakPolarHBondContact CZ-O 3.44Å; W146-K149 HydrophobicContact CB-CD 4.36Å; W146-K149 HydrophobicContact CD2-CD 3.77Å; W146-K149 HydrophobicContact CE3-CD 4.06Å; W146-K149 HydrophobicContact CG-CD 3.91Å; W146-K149 WeakPolarHBondContact O-CB 3.42Å; W146-K149 PolarHBondContact O-N 2.94Å; K149-Q153 VanDerWaalsContact CA-OE1 3.26Å; K149-Q153 HydrophobicContact CB-CB 4.41Å; K149-Q153 HydrophobicContact CD-CB 4.48Å; K149-Q153 HydrophobicContact CG-CB 4.45Å; K149-V154 HydrophobicContact CB-CG2 4.16Å; K149-V154 HydrophobicContact CD-CG2 4.38Å; K149-D157 IonicContact NZ-OD1 3.06Å; K149-D157 PolarHBondContact NZ-OD1 3.01Å; K149-D157 VanDerWaalsContact NZ-OD1 3.1Å; K149-D157 IonicContact NZ-OD2 2.83Å; K149-D157 PolarHBondContact NZ-OD2 3.05Å
150T96.9Very high96.8Very high77 Ų7755.4 Ų55.447%0.47233%0.33SS..  trans-85161.4166.968.60000110.6E152 Q153 V154T150-E152 PolarHBondContact O-N 2.75Å; T150-Q153 PolarHBondContact O-N 3.28Å; T150-Q153 WeakPolarHBondContact OG1-CG 3.47Å; T150-Q153 PolarHBondContact OG1-N 2.89Å; T150-V154 WeakPolarHBondContact O-CG2 3.48Å; T150-V154 PolarHBondContact O-N 2.87Å; T150-V154 VanDerWaalsContact O-N 3.14Å
151L95.9Very high96.9Very high48 Ų4851.1 Ų51.125%0.25131%0.312SS..Hα-helixtrans-56.8-39.1173.2-82.9173.8000112.5F100 V101 D105 Q153 V154 Y155F100-L151 HydrophobicContact CD1-CD2 4.27Å; F100-L151 HydrophobicContact CE1-CD2 4.14Å; V101-L151 HydrophobicContact CG2-CD2 3.94Å; D105-L151 HydrophobicContact CB-CD1 4.1Å; D105-L151 HydrophobicContact CB-CD2 4.14Å; D105-L151 HydrophobicContact CB-CG 4.43Å; L151-Q153 VanDerWaalsContact C-N 3.34Å; L151-Q153 PolarHBondContact O-N 3.35Å; L151-V154 WeakPolarHBondContact O-CB 3.48Å; L151-V154 PolarHBondContact O-N 3.36Å; L151-V154 VanDerWaalsContact O-N 3.17Å; L151-Y155 HydrophobicContact CB-CE2 4.06Å; L151-Y155 HydrophobicContact CD2-CE1 4.33Å; L151-Y155 VanDerWaalsContact O-CD2 3.32Å; L151-Y155 WeakPolarHBondContact O-CD2 3.11Å; L151-Y155 PolarHBondContact O-N 3.48Å
152E96.6Very high96.9Very high99 Ų9951 Ų5146%0.46331%0.312SS..Hα-helixtrans-63.4-39.7178.4-17558-156.200112.1T150 V154 Y155 E156 R207T150-E152 PolarHBondContact O-N 2.75Å; E152-V154 VanDerWaalsContact C-N 3.3Å; E152-V154 PolarHBondContact O-N 2.59Å; E152-Y155 PolarHBondContact O-N 3.3Å; E152-E156 PolarHBondContact O-N 3.47Å; E152-R207 IonicContact OE1-CZ 2.59Å; E152-R207 IonicContact OE1-NH2 3.1Å; E152-R207 PolarHBondContact OE1-NH2 3.39Å; E152-R207 IonicContact OE2-NH2 2.7Å; E152-R207 PolarHBondContact OE2-NH2 3.19Å
153Q97.6Very high97Very high98 Ų9850.2 Ų50.246%0.45830%0.304SS..Hα-helixtrans-62.9-40.2174.9-71.7171.9-35.900111.5K149 T150 L151 E156 D157K149-Q153 VanDerWaalsContact CA-OE1 3.26Å; K149-Q153 HydrophobicContact CB-CB 4.41Å; K149-Q153 HydrophobicContact CD-CB 4.48Å; K149-Q153 HydrophobicContact CG-CB 4.45Å; T150-Q153 PolarHBondContact O-N 3.28Å; T150-Q153 WeakPolarHBondContact OG1-CG 3.47Å; T150-Q153 PolarHBondContact OG1-N 2.89Å; L151-Q153 VanDerWaalsContact C-N 3.34Å; L151-Q153 PolarHBondContact O-N 3.35Å; Q153-E156 PolarHBondContact O-N 2.88Å; Q153-D157 VanDerWaalsContact O-CG 3.28Å; Q153-D157 PolarHBondContact O-N 3.09Å; Q153-D157 VanDerWaalsContact O-OD2 3.06Å
154V97.4Very high97Very high0 Ų047.3 Ų47.30%028%0.28CS..Hα-helixtrans-64.6-40.8176.2171.40000111.4S97 F100 V101 W146 K149 T150 L151 E152 E156 D157 V158S97-V154 WeakPolarHBondContact OG-CG1 3.46Å; F100-V154 HydrophobicContact CB-CG1 4.48Å; F100-V154 HydrophobicContact CD1-CB 4.37Å; F100-V154 HydrophobicContact CD1-CG1 4.26Å; F100-V154 HydrophobicContact CD1-CG2 3.61Å; F100-V154 HydrophobicContact CD2-CG2 4.2Å; F100-V154 HydrophobicContact CE1-CG2 3.79Å; F100-V154 HydrophobicContact CE2-CG2 4.35Å; F100-V154 HydrophobicContact CG-CG2 3.84Å; F100-V154 HydrophobicContact CZ-CG2 4.16Å; V101-V154 HydrophobicContact CG2-CG1 4.34Å; W146-V154 HydrophobicContact CE3-CG2 4.01Å; W146-V154 HydrophobicContact CZ3-CB 4.38Å; W146-V154 HydrophobicContact CZ3-CG1 4.03Å; W146-V154 HydrophobicContact CZ3-CG2 3.84Å; K149-V154 HydrophobicContact CB-CG2 4.16Å; K149-V154 HydrophobicContact CD-CG2 4.38Å; T150-V154 WeakPolarHBondContact O-CG2 3.48Å; T150-V154 PolarHBondContact O-N 2.87Å; T150-V154 VanDerWaalsContact O-N 3.14Å; L151-V154 WeakPolarHBondContact O-CB 3.48Å; L151-V154 PolarHBondContact O-N 3.36Å; L151-V154 VanDerWaalsContact O-N 3.17Å; E152-V154 VanDerWaalsContact C-N 3.3Å; E152-V154 PolarHBondContact O-N 2.59Å; V154-E156 VanDerWaalsContact C-N 3.31Å; V154-E156 PolarHBondContact O-N 3.1Å; V154-D157 PolarHBondContact O-N 3Å; V154-V158 WeakPolarHBondContact O-CG2 3.39Å; V154-V158 PolarHBondContact O-N 3.38Å; V154-V158 VanDerWaalsContact O-N 3.1Å
155Y97.1Very high97.2Very high13 Ų1343.5 Ų43.55%0.05126%0.261CS..Hα-helixtrans-65.4-35.4174.7-60.4-27.5000112.1V101 L151 E152 V158 N159 E203 L204V101-Y155 HydrophobicContact CG2-CE1 4.11Å; L151-Y155 HydrophobicContact CB-CE2 4.06Å; L151-Y155 HydrophobicContact CD2-CE1 4.33Å; L151-Y155 VanDerWaalsContact O-CD2 3.32Å; L151-Y155 WeakPolarHBondContact O-CD2 3.11Å; L151-Y155 PolarHBondContact O-N 3.48Å; E152-Y155 PolarHBondContact O-N 3.3Å; Y155-V158 PolarHBondContact O-N 3.37Å; Y155-N159 WeakPolarHBondContact O-CB 3.49Å; Y155-N159 PolarHBondContact O-N 3.39Å; Y155-E203 HydrophobicContact CD2-CB 3.76Å; Y155-E203 HydrophobicContact CD2-CG 4.43Å; Y155-E203 HydrophobicContact CE1-CB 4.43Å; Y155-E203 HydrophobicContact CE2-CB 3.43Å; Y155-E203 VanDerWaalsContact CE2-CB 3.43Å; Y155-E203 HydrophobicContact CE2-CG 4Å; Y155-E203 HydrophobicContact CG-CB 4.4Å; Y155-L204 HydrophobicContact CD1-CB 4.31Å; Y155-L204 HydrophobicContact CD1-CD1 4.11Å; Y155-L204 HydrophobicContact CE1-CB 4.04Å; Y155-L204 HydrophobicContact CE1-CD1 4.41Å
156E97.3Very high97.3Very high67 Ų6741.6 Ų41.631%0.31324%0.237SC..Hα-helixtrans-69.5-38.5174.7-175.451.4-150.800112.2E152 Q153 V154 V158 N159 Q160 R207E152-E156 PolarHBondContact O-N 3.47Å; Q153-E156 PolarHBondContact O-N 2.88Å; V154-E156 VanDerWaalsContact C-N 3.31Å; V154-E156 PolarHBondContact O-N 3.1Å; E156-V158 VanDerWaalsContact C-N 3.28Å; E156-V158 PolarHBondContact O-N 3.1Å; E156-N159 WeakPolarHBondContact O-CB 3.44Å; E156-N159 PolarHBondContact O-N 3.35Å; E156-N159 PolarHBondContact OE2-ND2 2.91Å; E156-Q160 WeakPolarHBondContact O-CG 3.47Å; E156-Q160 PolarHBondContact O-N 2.87Å; E156-Q160 PolarHBondContact OE1-NE2 3.21Å; E156-R207 IonicContact OE2-NH1 3.73Å
157D96.8Very high97.3Very high24 Ų2447 Ų4713%0.12826%0.264CS..Hα-helixtrans-59.7-40.3171.9-61.6-55.6000111.5M93 W146 K149 Q153 V154 Q160 C161M93-D157 HydrophobicContact SD-CB 4.19Å; W146-D157 HydrophobicContact CH2-CB 4.07Å; W146-D157 WeakPolarHBondContact CH2-OD2 3.48Å; W146-D157 HydrophobicContact CZ2-CB 4.36Å; K149-D157 IonicContact NZ-OD1 3.06Å; K149-D157 PolarHBondContact NZ-OD1 3.01Å; K149-D157 VanDerWaalsContact NZ-OD1 3.1Å; K149-D157 IonicContact NZ-OD2 2.83Å; K149-D157 PolarHBondContact NZ-OD2 3.05Å; Q153-D157 VanDerWaalsContact O-CG 3.28Å; Q153-D157 PolarHBondContact O-N 3.09Å; Q153-D157 VanDerWaalsContact O-OD2 3.06Å; V154-D157 PolarHBondContact O-N 3Å; D157-Q160 PolarHBondContact O-N 3.25Å; D157-C161 WeakPolarHBondContact O-CB 3.48Å; D157-C161 PolarHBondContact O-N 2.7Å
158V97.7Very high97.5Very high0 Ų047.8 Ų47.80%026%0.255CS..Hα-helixtrans-66.6-41.8175.81720000111L94 S97 V154 Y155 E156 C161 C162 L204L94-V158 HydrophobicContact CD2-CB 4.48Å; L94-V158 HydrophobicContact CD2-CG1 3.89Å; L94-V158 HydrophobicContact CD2-CG2 4.36Å; S97-V158 VanDerWaalsContact OG-CG2 3.25Å; S97-V158 WeakPolarHBondContact OG-CG2 3.48Å; V154-V158 WeakPolarHBondContact O-CG2 3.39Å; V154-V158 PolarHBondContact O-N 3.38Å; V154-V158 VanDerWaalsContact O-N 3.1Å; Y155-V158 PolarHBondContact O-N 3.37Å; E156-V158 VanDerWaalsContact C-N 3.28Å; E156-V158 PolarHBondContact O-N 3.1Å; V158-C161 PolarHBondContact O-N 3.04Å; V158-C162 WeakPolarHBondContact O-CB 3.32Å; V158-C162 PolarHBondContact O-N 3.25Å; V158-C162 PolarHBondContact O-SG 3.24Å; V158-L204 HydrophobicContact CB-CD1 4.12Å; V158-L204 HydrophobicContact CG1-CD1 3.91Å; V158-L204 HydrophobicContact CG2-CD1 3.69Å
159N98Very high97.7Very high28 Ų2844.4 Ų44.415%0.1522%0.219CC..Hα-helixtrans-59.3-46.3176-177.345.5000111.3Y155 E156 C161 C162 Q163 Y211Y155-N159 WeakPolarHBondContact O-CB 3.49Å; Y155-N159 PolarHBondContact O-N 3.39Å; E156-N159 WeakPolarHBondContact O-CB 3.44Å; E156-N159 PolarHBondContact O-N 3.35Å; E156-N159 PolarHBondContact OE2-ND2 2.91Å; N159-C161 PolarHBondContact O-N 2.79Å; N159-C162 PolarHBondContact O-N 2.96Å; N159-Q163 WeakPolarHBondContact O-CB 3.29Å; N159-Q163 PolarHBondContact O-N 3.19Å; N159-Y211 PolarHBondContact O-OH 2.85Å; N159-Y211 WeakPolarHBondContact OD1-CE2 3.5Å; N159-Y211 PolarHBondContact OD1-OH 3.26Å
160Q98.1Very high97.7Very high95 Ų9543.6 Ų43.644%0.44423%0.225SC..Hα-helixtrans-62.8-40.9176.4-70.1172.617.800112.4E156 D157 Q163 A164E156-Q160 WeakPolarHBondContact O-CG 3.47Å; E156-Q160 PolarHBondContact O-N 2.87Å; E156-Q160 PolarHBondContact OE1-NE2 3.21Å; D157-Q160 PolarHBondContact O-N 3.25Å; Q160-Q163 WeakPolarHBondContact O-CB 3.31Å; Q160-Q163 PolarHBondContact O-N 3.3Å; Q160-A164 PolarHBondContact O-N 3.01Å
161C98.4Very high97.6Very high2 Ų246.5 Ų46.51%0.01424%0.243CC..Hα-helixtrans-61.3-47.8173.6-176.40000111.5M93 L94 D157 V158 N159 Q163 A164 L165M93-C161 HydrophobicContact CB-CB 3.6Å; M93-C161 HydrophobicContact CG-CB 4.03Å; L94-C161 HydrophobicContact CD2-CB 4.16Å; D157-C161 WeakPolarHBondContact O-CB 3.48Å; D157-C161 PolarHBondContact O-N 2.7Å; V158-C161 PolarHBondContact O-N 3.04Å; N159-C161 PolarHBondContact O-N 2.79Å; C161-Q163 VanDerWaalsContact C-N 3.29Å; C161-Q163 PolarHBondContact O-N 3.13Å; C161-A164 PolarHBondContact O-N 3.3Å; C161-L165 WeakPolarHBondContact O-CB 3.39Å; C161-L165 VanDerWaalsContact O-CG 3.3Å; C161-L165 WeakPolarHBondContact O-CG 3.44Å; C161-L165 PolarHBondContact O-N 3.28Å
162C98.6Very high97.6Very high0 Ų047.9 Ų47.90%025%0.248CC..Hα-helixtrans-62-37.7177.3-66.80000111.7V158 N159 L165 S166 Y211 L214V158-C162 WeakPolarHBondContact O-CB 3.32Å; V158-C162 PolarHBondContact O-N 3.25Å; V158-C162 PolarHBondContact O-SG 3.24Å; N159-C162 PolarHBondContact O-N 2.96Å; C162-L165 PolarHBondContact O-N 3.14Å; C162-S166 WeakPolarHBondContact O-CB 3.48Å; C162-S166 PolarHBondContact O-N 3.47Å; C162-Y211 HydrophobicContact CB-CD2 3.48Å; C162-Y211 VanDerWaalsContact CB-CD2 3.48Å; C162-Y211 HydrophobicContact CB-CE2 3.38Å; C162-Y211 HydrophobicContact CB-CG 4.21Å; C162-L214 HydrophobicContact CB-CD1 4.02Å; C162-L214 WeakPolarHBondContact O-CD1 3.46Å
163Q98.6Very high97.6Very high89 Ų8945 Ų4542%0.41624%0.238SC..Hα-helixtrans-60.9-49.9174.5-168.5179.814.300111.7N159 Q160 C161 L165 S166 Q167 Y211N159-Q163 WeakPolarHBondContact O-CB 3.29Å; N159-Q163 PolarHBondContact O-N 3.19Å; Q160-Q163 WeakPolarHBondContact O-CB 3.31Å; Q160-Q163 PolarHBondContact O-N 3.3Å; C161-Q163 VanDerWaalsContact C-N 3.29Å; C161-Q163 PolarHBondContact O-N 3.13Å; Q163-L165 PolarHBondContact O-N 2.96Å; Q163-S166 PolarHBondContact O-N 3.25Å; Q163-Q167 WeakPolarHBondContact O-CB 3.45Å; Q163-Q167 VanDerWaalsContact O-CG 3.31Å; Q163-Q167 WeakPolarHBondContact O-CG 3.43Å; Q163-Q167 PolarHBondContact O-N 2.88Å; Q163-Y211 HydrophobicContact CB-CE1 4.07Å; Q163-Y211 WeakPolarHBondContact CB-OH 3.23Å; Q163-Y211 HydrophobicContact CG-CE1 4.41Å
164A98.6Very high97.5Very high27 Ų2741.4 Ų41.422%0.22322%0.221CC..Hα-helixtrans-62.1-43.417900000111.8L89 Q160 C161 Q167 R168L89-A164 HydrophobicContact CD2-CB 3.84Å; Q160-A164 PolarHBondContact O-N 3.01Å; C161-A164 PolarHBondContact O-N 3.3Å; A164-Q167 PolarHBondContact O-N 2.94Å; A164-R168 WeakPolarHBondContact O-CB 3.25Å; A164-R168 PolarHBondContact O-N 3.47Å
165L98.6Very high97.5Very high0 Ų041.4 Ų41.40%022%0.221CC..Hα-helixtrans-64.3-43.9175.7-69.1172.9000111.6Y86 V90 L94 C161 C162 Q163 Q167 R168 L169 F175 V187 L214Y86-L165 HydrophobicContact CD1-CD2 4.16Å; V90-L165 HydrophobicContact CG2-CD1 4.15Å; V90-L165 HydrophobicContact CG2-CD2 4.15Å; L94-L165 HydrophobicContact CD1-CD1 4.28Å; C161-L165 WeakPolarHBondContact O-CB 3.39Å; C161-L165 VanDerWaalsContact O-CG 3.3Å; C161-L165 WeakPolarHBondContact O-CG 3.44Å; C161-L165 PolarHBondContact O-N 3.28Å; C162-L165 PolarHBondContact O-N 3.14Å; Q163-L165 PolarHBondContact O-N 2.96Å; L165-Q167 PolarHBondContact O-N 2.94Å; L165-R168 PolarHBondContact O-N 3.39Å; L165-L169 WeakPolarHBondContact O-CB 3.24Å; L165-L169 PolarHBondContact O-N 3.37Å; L165-F175 HydrophobicContact CB-CE1 4.12Å; L165-F175 HydrophobicContact CB-CZ 4.1Å; L165-F175 HydrophobicContact CD2-CE1 3.8Å; L165-F175 HydrophobicContact CD2-CZ 3.9Å; L165-F175 VanDerWaalsContact O-CE1 3.31Å; L165-F175 WeakPolarHBondContact O-CE1 3.17Å; L165-V187 HydrophobicContact CD1-CG1 4.14Å; L165-V187 HydrophobicContact CD1-CG2 4.24Å; L165-V187 HydrophobicContact CD2-CG2 3.85Å; L165-L214 HydrophobicContact CB-CD1 4.39Å; L165-L214 HydrophobicContact CB-CD2 4.22Å
166S98.6Very high97.4Very high20 Ų2041.4 Ų41.414%0.1422%0.221CC..Hα-helixtrans-61.6-44.3178.2178.10000111.4C162 Q163 L169 G170 N213C162-S166 WeakPolarHBondContact O-CB 3.48Å; C162-S166 PolarHBondContact O-N 3.47Å; Q163-S166 PolarHBondContact O-N 3.25Å; S166-L169 PolarHBondContact O-N 3.2Å; S166-G170 PolarHBondContact O-N 2.95Å; S166-N213 PolarHBondContact O-ND2 3.04Å; S166-N213 VanDerWaalsContact OG-CG 3.25Å; S166-N213 PolarHBondContact OG-ND2 3.42Å; S166-N213 PolarHBondContact OG-OD1 3Å
167Q98.3Very high96.8Very high137 Ų13741.4 Ų41.464%0.6422%0.223SC*.Hα-helixtrans-63-44.3175-73.7174.5-3.200111.6Q163 A164 L165 G170Q163-Q167 WeakPolarHBondContact O-CB 3.45Å; Q163-Q167 VanDerWaalsContact O-CG 3.31Å; Q163-Q167 WeakPolarHBondContact O-CG 3.43Å; Q163-Q167 PolarHBondContact O-N 2.88Å; A164-Q167 PolarHBondContact O-N 2.94Å; L165-Q167 PolarHBondContact O-N 2.94Å; Q167-G170 PolarHBondContact O-N 3.39Å
168R97.6Very high96.1Very high53 Ų5349.1 Ų49.120%0.226%0.256CS..Hα-helixtrans-65.8-38.8179.8-177.761.1-17277.17112.5Y86 A164 L165 F175Y86-R168 HydrophobicContact CD1-CG 4.42Å; Y86-R168 HydrophobicContact CD2-CG 4.19Å; Y86-R168 HydrophobicContact CE1-CB 3.73Å; Y86-R168 HydrophobicContact CE1-CG 3.88Å; Y86-R168 HydrophobicContact CE2-CB 4.35Å; Y86-R168 HydrophobicContact CE2-CG 3.65Å; Y86-R168 VanDerWaalsContact CZ-CG 3.48Å; Y86-R168 WeakPolarHBondContact OH-CD 3.46Å; A164-R168 WeakPolarHBondContact O-CB 3.25Å; A164-R168 PolarHBondContact O-N 3.47Å; L165-R168 PolarHBondContact O-N 3.39Å; R168-F175 HydrophobicContact CB-CD1 4.18Å; R168-F175 HydrophobicContact CB-CE1 4.27Å; R168-F175 HydrophobicContact CG-CD1 3.81Å; R168-F175 HydrophobicContact CG-CE1 4.37Å; R168-F175 PolarHBondContact NH1-O 2.98Å; R168-F175 PolarHBondContact NH2-O 2.94Å
169L98Very high95.7Very high4 Ų455.2 Ų55.22%0.02128%0.284CS..Hα-helixtrans-69.6-42.6176.5-178.168.9000111.2L165 S166 T171 Q172 F175 L214 F217L165-L169 WeakPolarHBondContact O-CB 3.24Å; L165-L169 PolarHBondContact O-N 3.37Å; S166-L169 PolarHBondContact O-N 3.2Å; L169-T171 PolarHBondContact O-N 3.38Å; L169-Q172 WeakPolarHBondContact CD1-O 3.31Å; L169-Q172 WeakPolarHBondContact O-CB 3.36Å; L169-Q172 PolarHBondContact O-N 3.22Å; L169-F175 HydrophobicContact CB-CD1 4.33Å; L169-F175 HydrophobicContact CB-CE1 3.97Å; L169-F175 HydrophobicContact CB-CZ 4.25Å; L169-F175 HydrophobicContact CD1-CD2 4.44Å; L169-F175 HydrophobicContact CD1-CE2 4.49Å; L169-L214 HydrophobicContact CD2-CD2 3.97Å; L169-F217 HydrophobicContact CD1-CD2 4.06Å; L169-F217 HydrophobicContact CD2-CB 3.66Å; L169-F217 HydrophobicContact CD2-CD2 4.28Å; L169-F217 HydrophobicContact CD2-CG 4.11Å
170G96.9Very high95.6Very high34 Ų3454.1 Ų54.135%0.35128%0.279SS..THydrogen-bonded Turntrans55.7-120.9-176.700000111.3S166 Q167 N213S166-G170 PolarHBondContact O-N 2.95Å; Q167-G170 PolarHBondContact O-N 3.39Å; G170-N213 PolarHBondContact O-ND2 3.01Å
171T95.5Very high95.6Very high138 Ų13849.8 Ų49.885%0.84726%0.259SS*.THydrogen-bonded Turntrans-103.73177.157.10000113.5L169L169-T171 PolarHBondContact O-N 3.38Å
172Q96.2Very high95.6Very high77 Ų7750 Ų5036%0.3626%0.26SS..  trans-74.9152.1-177.2-60.7-59.5-32.400111.2L169 Y174L169-Q172 WeakPolarHBondContact CD1-O 3.31Å; L169-Q172 WeakPolarHBondContact O-CB 3.36Å; L169-Q172 PolarHBondContact O-N 3.22Å; Q172-Y174 VanDerWaalsContact C-N 3.31Å; Q172-Y174 VanDerWaalsContact CB-O 3.31Å; Q172-Y174 WeakPolarHBondContact CB-O 3.34Å
173P94.9Very high95.6Very high39 Ų3950 Ų5025%0.25326%0.26SS..SBendtrans-70.9-28.8176.427.5-31.8000112.7N177 R220P173-N177 WeakPolarHBondContact CG-O 3.5Å; P173-R220 PolarHBondContact O-NE 2.97Å
174Y97.3Very high95.6Very high23 Ų2345.8 Ų45.89%0.0924%0.24CC..BIsolated β-bridgetrans-136160.2178.8-57.7-66.1000110.7Q172 F176 N177 A180 D184 I221 Y225Q172-Y174 VanDerWaalsContact C-N 3.31Å; Q172-Y174 VanDerWaalsContact CB-O 3.31Å; Q172-Y174 WeakPolarHBondContact CB-O 3.34Å; Y174-F176 VanDerWaalsContact C-N 3.31Å; Y174-F176 PolarHBondContact O-N 3.29Å; Y174-N177 PolarHBondContact O-N 3.42Å; Y174-A180 HydrophobicContact CD1-CB 3.71Å; Y174-A180 HydrophobicContact CE1-CB 3.64Å; Y174-A180 HydrophobicContact CG-CB 4.23Å; Y174-D184 WeakPolarHBondContact CA-OD1 3.21Å; Y174-D184 VanDerWaalsContact CB-OD1 3.26Å; Y174-D184 WeakPolarHBondContact CB-OD1 3.35Å; Y174-D184 HydrophobicContact CD1-CB 4.35Å; Y174-I221 HydrophobicContact CE1-CG1 4.31Å; Y174-Y225 HydrophobicContact CE1-CE2 4.5Å; Y174-Y225 PolarHBondContact OH-OH 2.9Å
175F97.4Very high95.6Very high0 Ų044.5 Ų44.50%023%0.23CC..THydrogen-bonded Turntrans-59.8-38-177.1-78.5-86.2000112.6L165 R168 L169 L183 D184 V187 L214 F217L165-F175 HydrophobicContact CB-CE1 4.12Å; L165-F175 HydrophobicContact CB-CZ 4.1Å; L165-F175 HydrophobicContact CD2-CE1 3.8Å; L165-F175 HydrophobicContact CD2-CZ 3.9Å; L165-F175 VanDerWaalsContact O-CE1 3.31Å; L165-F175 WeakPolarHBondContact O-CE1 3.17Å; R168-F175 HydrophobicContact CB-CD1 4.18Å; R168-F175 HydrophobicContact CB-CE1 4.27Å; R168-F175 HydrophobicContact CG-CD1 3.81Å; R168-F175 HydrophobicContact CG-CE1 4.37Å; R168-F175 PolarHBondContact NH1-O 2.98Å; R168-F175 PolarHBondContact NH2-O 2.94Å; L169-F175 HydrophobicContact CB-CD1 4.33Å; L169-F175 HydrophobicContact CB-CE1 3.97Å; L169-F175 HydrophobicContact CB-CZ 4.25Å; L169-F175 HydrophobicContact CD1-CD2 4.44Å; L169-F175 HydrophobicContact CD1-CE2 4.49Å; F175-L183 HydrophobicContact CB-CD2 3.74Å; F175-L183 HydrophobicContact CB-CG 4.36Å; F175-L183 HydrophobicContact CD1-CD2 4.03Å; F175-L183 HydrophobicContact CD2-CD2 4.32Å; F175-L183 HydrophobicContact CD2-CG 4.21Å; F175-L183 HydrophobicContact CG-CD2 3.77Å; F175-L183 HydrophobicContact CG-CG 4.16Å; F175-D184 VanDerWaalsContact CD2-OD1 3.31Å; F175-D184 WeakPolarHBondContact CD2-OD1 3.32Å; F175-D184 PolarHBondContact N-OD1 3.41Å; F175-V187 HydrophobicContact CE2-CB 3.86Å; F175-V187 HydrophobicContact CE2-CG1 3.79Å; F175-V187 HydrophobicContact CE2-CG2 3.79Å; F175-V187 HydrophobicContact CZ-CB 4.3Å; F175-V187 HydrophobicContact CZ-CG1 3.91Å; F175-V187 HydrophobicContact CZ-CG2 3.98Å; F175-L214 HydrophobicContact CZ-CD2 4.47Å; F175-F217 HydrophobicContact CD2-CE2 4.1Å; F175-F217 HydrophobicContact CD2-CZ 4.19Å; F175-F217 HydrophobicContact CE2-CE1 4.22Å; F175-F217 AromaticContact CE2-CE2 3.93Å; F175-F217 HydrophobicContact CE2-CE2 3.93Å; F175-F217 AromaticContact CE2-CZ 3.75Å; F175-F217 HydrophobicContact CE2-CZ 3.75Å
176F94.6Very high95.6Very high13 Ų1344.6 Ų44.66%0.05723%0.23CC..THydrogen-bonded Turntrans-107.641.9176.4-69.8-91.3000112.8L75 Q79 E82 M83 Y174 K178 T181 L183L75-F176 HydrophobicContact CD1-CD1 4.35Å; L75-F176 HydrophobicContact CD1-CD2 4.44Å; L75-F176 HydrophobicContact CD1-CG 4.19Å; L75-F176 HydrophobicContact CD2-CB 3.67Å; L75-F176 HydrophobicContact CD2-CD1 4.05Å; L75-F176 HydrophobicContact CD2-CG 3.99Å; Q79-F176 HydrophobicContact CB-CD1 3.92Å; Q79-F176 HydrophobicContact CB-CE1 3.72Å; Q79-F176 HydrophobicContact CG-CD1 4.07Å; Q79-F176 HydrophobicContact CG-CE1 4.06Å; Q79-F176 WeakPolarHBondContact O-CE1 3.4Å; Q79-F176 WeakPolarHBondContact O-CZ 3.42Å; E82-F176 HydrophobicContact CB-CE1 4.36Å; E82-F176 HydrophobicContact CB-CZ 4.08Å; M83-F176 HydrophobicContact CB-CD2 4.45Å; M83-F176 HydrophobicContact CB-CE2 3.53Å; M83-F176 HydrophobicContact CB-CZ 3.65Å; M83-F176 HydrophobicContact CG-CD2 4.45Å; M83-F176 HydrophobicContact CG-CE2 3.81Å; M83-F176 HydrophobicContact CG-CZ 4.44Å; Y174-F176 VanDerWaalsContact C-N 3.31Å; Y174-F176 PolarHBondContact O-N 3.29Å; F176-K178 PolarHBondContact O-N 3.15Å; F176-T181 HydrophobicContact CB-CG2 4.16Å; F176-T181 HydrophobicContact CD2-CG2 4.36Å; F176-L183 HydrophobicContact CD2-CD2 4.47Å; F176-L183 HydrophobicContact CE2-CD2 3.83Å
177N83.3Confident95.6Very high67 Ų6743.7 Ų43.736%0.35822%0.224SC..BIsolated β-bridgetrans79.7-101.1173.1-47.7-58.5000114.5P173 Y174P173-N177 WeakPolarHBondContact CG-O 3.5Å; Y174-N177 PolarHBondContact O-N 3.42Å
178K82.5Confident95.6Very high186 Ų18637.2 Ų37.281%0.80919%0.193SC*.SBendtrans-88.7-26.5-159.9-69.5-173.2179.2-1800114.6F176F176-K178 PolarHBondContact O-N 3.15Å
179Q89.3Confident95.6Very high127 Ų12734.7 Ų34.759%0.59318%0.184SC*.SBendtrans-123144.2-177.4-62.1-170.622.700109.9
180A96.4Very high95.6Very high6 Ų634.5 Ų34.55%0.0518%0.183CC..  trans-66.8144.5173.700000110M22 L71 Y174 D184M22-A180 HydrophobicContact CE-CB 3.97Å; M22-A180 HydrophobicContact CG-CB 3.98Å; M22-A180 HydrophobicContact SD-CB 3.62Å; L71-A180 WeakPolarHBondContact CB-O 3.33Å; Y174-A180 HydrophobicContact CD1-CB 3.71Å; Y174-A180 HydrophobicContact CE1-CB 3.64Å; Y174-A180 HydrophobicContact CG-CB 4.23Å; A180-D184 HydrophobicContact CB-CB 4.25Å
181T97.7Very high95.7Very high3 Ų332.9 Ų32.92%0.01817%0.166CC..  trans-120.8172.9177.964.20000110.4L75 M83 F176 L183 D184 A185L75-T181 HydrophobicContact CD1-CG2 4.3Å; M83-T181 HydrophobicContact SD-CG2 4.4Å; F176-T181 HydrophobicContact CB-CG2 4.16Å; F176-T181 HydrophobicContact CD2-CG2 4.36Å; T181-L183 PolarHBondContact O-N 3.45Å; T181-L183 PolarHBondContact OG1-N 2.75Å; T181-D184 WeakPolarHBondContact CB-OD2 3.44Å; T181-D184 PolarHBondContact N-OD2 3.24Å; T181-D184 WeakPolarHBondContact O-CB 3.49Å; T181-D184 PolarHBondContact O-N 3.34Å; T181-D184 PolarHBondContact OG1-OD2 2.63Å; T181-A185 PolarHBondContact O-N 3.4Å
182E97.9Very high95.8Very high8 Ų828 Ų284%0.03713%0.133CC..Hα-helixtrans-56.2-26.1169.344.4-91.4-16000114Y19 V61 S72 M83 M87 L186Y19-E182 HydrophobicContact CD2-CB 3.87Å; Y19-E182 HydrophobicContact CE2-CB 3.96Å; V61-E182 HydrophobicContact CG1-CG 4.32Å; V61-E182 HydrophobicContact CG2-CB 3.78Å; V61-E182 HydrophobicContact CG2-CG 4.28Å; S72-E182 VanDerWaalsContact CB-OE1 3.23Å; S72-E182 WeakPolarHBondContact CB-OE1 3.32Å; S72-E182 PolarHBondContact OG-OE1 3.17Å; M83-E182 HydrophobicContact CE-CG 3.87Å; M83-E182 WeakPolarHBondContact CE-OE1 3.17Å; M83-E182 HydrophobicContact SD-CG 3.93Å; M87-E182 HydrophobicContact CE-CB 4.32Å; M87-E182 HydrophobicContact CE-CG 4.33Å; M87-E182 HydrophobicContact SD-CG 4Å; E182-L186 WeakPolarHBondContact O-CB 3.17Å; E182-L186 PolarHBondContact O-N 3.05Å
183L98.5Very high95.8Very high0 Ų024.4 Ų24.40%012%0.116CC..Hα-helixtrans-67-43.5171.9175.463.6000111.5M83 Y86 M87 F175 F176 T181 A185 L186 V187M83-L183 HydrophobicContact CG-CB 3.8Å; M83-L183 HydrophobicContact CG-CD2 4.49Å; Y86-L183 HydrophobicContact CG-CD2 4.26Å; M87-L183 HydrophobicContact CG-CB 4.22Å; M87-L183 HydrophobicContact CG-CD1 3.89Å; F175-L183 HydrophobicContact CB-CD2 3.74Å; F175-L183 HydrophobicContact CB-CG 4.36Å; F175-L183 HydrophobicContact CD1-CD2 4.03Å; F175-L183 HydrophobicContact CD2-CD2 4.32Å; F175-L183 HydrophobicContact CD2-CG 4.21Å; F175-L183 HydrophobicContact CG-CD2 3.77Å; F175-L183 HydrophobicContact CG-CG 4.16Å; F176-L183 HydrophobicContact CD2-CD2 4.47Å; F176-L183 HydrophobicContact CE2-CD2 3.83Å; T181-L183 PolarHBondContact O-N 3.45Å; T181-L183 PolarHBondContact OG1-N 2.75Å; L183-A185 VanDerWaalsContact C-N 3.31Å; L183-A185 PolarHBondContact O-N 2.7Å; L183-L186 PolarHBondContact O-N 3.33Å; L183-V187 HydrophobicContact CD1-CG2 3.76Å; L183-V187 HydrophobicContact CG-CG2 4.22Å; L183-V187 VanDerWaalsContact O-CG2 3.32Å; L183-V187 WeakPolarHBondContact O-CG2 3.35Å; L183-V187 PolarHBondContact O-N 2.92Å
184D98.6Very high95.8Very high0 Ų022.7 Ų22.70%011%0.105CC..Hα-helixtrans-61.4-42.6178.5-60.3-88.8000110.9M22 Y174 F175 A180 T181 F188 F217 I221M22-D184 HydrophobicContact CE-CB 4.27Å; Y174-D184 WeakPolarHBondContact CA-OD1 3.21Å; Y174-D184 VanDerWaalsContact CB-OD1 3.26Å; Y174-D184 WeakPolarHBondContact CB-OD1 3.35Å; Y174-D184 HydrophobicContact CD1-CB 4.35Å; F175-D184 VanDerWaalsContact CD2-OD1 3.31Å; F175-D184 WeakPolarHBondContact CD2-OD1 3.32Å; F175-D184 PolarHBondContact N-OD1 3.41Å; A180-D184 HydrophobicContact CB-CB 4.25Å; T181-D184 WeakPolarHBondContact CB-OD2 3.44Å; T181-D184 PolarHBondContact N-OD2 3.24Å; T181-D184 WeakPolarHBondContact O-CB 3.49Å; T181-D184 PolarHBondContact O-N 3.34Å; T181-D184 PolarHBondContact OG1-OD2 2.63Å; D184-F188 WeakPolarHBondContact O-CB 3.49Å; D184-F188 PolarHBondContact O-N 3.37Å; D184-F217 HydrophobicContact CB-CE2 4.1Å; D184-F217 HydrophobicContact CB-CZ 4.05Å; D184-F217 WeakPolarHBondContact O-CZ 3.42Å; D184-F217 WeakPolarHBondContact OD1-CE2 3.4Å; D184-I221 HydrophobicContact CB-CD1 4.3Å
185A98.6Very high95.7Very high0 Ų023.6 Ų23.60%011%0.111CC..Hα-helixtrans-60.8-46.1174.500000112.2S15 A18 M22 T181 L183 G189S15-A185 WeakPolarHBondContact CA-O 3.48Å; A18-A185 HydrophobicContact CB-CB 4Å; M22-A185 HydrophobicContact CE-CB 4.36Å; M22-A185 HydrophobicContact SD-CB 3.8Å; T181-A185 PolarHBondContact O-N 3.4Å; L183-A185 VanDerWaalsContact C-N 3.31Å; L183-A185 PolarHBondContact O-N 2.7Å; A185-G189 PolarHBondContact O-N 3.28Å; A185-G189 VanDerWaalsContact O-N 3.08Å
186L98.8Very high95.4Very high2 Ų227.1 Ų27.11%0.0113%0.133CC..Hα-helixtrans-61.6-53.8179.3-176.862.2000111.2S15 L57 M87 V90 Y91 E182 L183 F188 G189 H190S15-L186 PolarHBondContact OG-O 3.48Å; S15-L186 VanDerWaalsContact OG-O 3.12Å; L57-L186 HydrophobicContact CD2-CB 3.77Å; L57-L186 HydrophobicContact CD2-CD1 3.86Å; L57-L186 HydrophobicContact CD2-CG 4.25Å; M87-L186 HydrophobicContact CB-CD2 3.87Å; M87-L186 HydrophobicContact CE-CD2 4.08Å; M87-L186 HydrophobicContact CG-CD2 3.95Å; V90-L186 HydrophobicContact CB-CD2 3.91Å; V90-L186 HydrophobicContact CB-CG 4.24Å; V90-L186 HydrophobicContact CG1-CD1 4.32Å; V90-L186 HydrophobicContact CG1-CD2 3.93Å; V90-L186 HydrophobicContact CG1-CG 3.73Å; Y91-L186 HydrophobicContact CD1-CD1 4.39Å; Y91-L186 HydrophobicContact CE1-CD1 3.67Å; Y91-L186 HydrophobicContact CE1-CD2 4.13Å; Y91-L186 HydrophobicContact CE2-CD2 4.07Å; E182-L186 WeakPolarHBondContact O-CB 3.17Å; E182-L186 PolarHBondContact O-N 3.05Å; L183-L186 PolarHBondContact O-N 3.33Å; L186-F188 VanDerWaalsContact C-N 3.34Å; L186-F188 PolarHBondContact O-N 3.32Å; L186-G189 PolarHBondContact O-N 3.4Å; L186-H190 PolarHBondContact O-CD2 3.36Å; L186-H190 PolarHBondContact O-N 2.78Å
187V98.8Very high95.1Very high0 Ų027.8 Ų27.80%014%0.138CC..Hα-helixtrans-60.2-44.1-179.5174.90000111V90 L165 F175 L183 G189 H190 L191 F217V90-V187 HydrophobicContact CG2-CG2 3.75Å; L165-V187 HydrophobicContact CD1-CG1 4.14Å; L165-V187 HydrophobicContact CD1-CG2 4.24Å; L165-V187 HydrophobicContact CD2-CG2 3.85Å; F175-V187 HydrophobicContact CE2-CB 3.86Å; F175-V187 HydrophobicContact CE2-CG1 3.79Å; F175-V187 HydrophobicContact CE2-CG2 3.79Å; F175-V187 HydrophobicContact CZ-CB 4.3Å; F175-V187 HydrophobicContact CZ-CG1 3.91Å; F175-V187 HydrophobicContact CZ-CG2 3.98Å; L183-V187 HydrophobicContact CD1-CG2 3.76Å; L183-V187 HydrophobicContact CG-CG2 4.22Å; L183-V187 VanDerWaalsContact O-CG2 3.32Å; L183-V187 WeakPolarHBondContact O-CG2 3.35Å; L183-V187 PolarHBondContact O-N 2.92Å; V187-G189 PolarHBondContact O-N 3.25Å; V187-H190 PolarHBondContact O-N 2.98Å; V187-L191 HydrophobicContact CG1-CD1 3.5Å; V187-L191 HydrophobicContact CG1-CG 3.93Å; V187-L191 WeakPolarHBondContact O-CB 3.37Å; V187-L191 WeakPolarHBondContact O-CG 3.42Å; V187-L191 PolarHBondContact O-N 3.22Å; V187-F217 HydrophobicContact CB-CE1 4.18Å; V187-F217 HydrophobicContact CB-CZ 4.36Å; V187-F217 HydrophobicContact CG1-CE1 3.79Å; V187-F217 HydrophobicContact CG1-CZ 4.37Å
188F98.7Very high95Very high2 Ų234.9 Ų34.91%0.00916%0.16CC..Hα-helixtrans-56.8-50.5176.5169.7-102.5000112A18 D184 L186 H190 L191 F192 F217 C218 I221 E222 F226A18-F188 HydrophobicContact CB-CD1 3.79Å; A18-F188 HydrophobicContact CB-CE1 4.31Å; D184-F188 WeakPolarHBondContact O-CB 3.49Å; D184-F188 PolarHBondContact O-N 3.37Å; L186-F188 VanDerWaalsContact C-N 3.34Å; L186-F188 PolarHBondContact O-N 3.32Å; F188-H190 VanDerWaalsContact C-N 3.33Å; F188-H190 PolarHBondContact O-N 3.4Å; F188-L191 PolarHBondContact O-N 3.48Å; F188-F192 HydrophobicContact CD2-CB 4.21Å; F188-F192 HydrophobicContact CE2-CB 3.93Å; F188-F192 AromaticContact CE2-CD2 3.74Å; F188-F192 HydrophobicContact CE2-CD2 3.74Å; F188-F192 AromaticContact CE2-CG 3.96Å; F188-F192 HydrophobicContact CE2-CG 3.96Å; F188-F192 HydrophobicContact CZ-CB 4.14Å; F188-F192 HydrophobicContact CZ-CD1 4.5Å; F188-F192 HydrophobicContact CZ-CD2 4Å; F188-F192 AromaticContact CZ-CG 3.95Å; F188-F192 HydrophobicContact CZ-CG 3.95Å; F188-F192 WeakPolarHBondContact O-CB 3.41Å; F188-F192 PolarHBondContact O-N 3.42Å; F188-F217 HydrophobicContact CB-CE1 4.16Å; F188-F217 HydrophobicContact CB-CZ 4.47Å; F188-C218 HydrophobicContact CD2-CB 4.33Å; F188-C218 WeakPolarHBondContact CE2-O 3.41Å; F188-I221 HydrophobicContact CB-CD1 3.77Å; F188-I221 HydrophobicContact CB-CG2 4.07Å; F188-I221 HydrophobicContact CD1-CG2 3.72Å; F188-I221 HydrophobicContact CD2-CB 3.63Å; F188-I221 HydrophobicContact CD2-CD1 4.33Å; F188-I221 HydrophobicContact CD2-CG2 3.47Å; F188-I221 VanDerWaalsContact CD2-CG2 3.47Å; F188-I221 HydrophobicContact CE1-CG2 3.99Å; F188-I221 HydrophobicContact CE2-CB 3.97Å; F188-I221 HydrophobicContact CE2-CG2 3.75Å; F188-I221 HydrophobicContact CG-CB 4.04Å; F188-I221 HydrophobicContact CG-CD1 4.24Å; F188-I221 HydrophobicContact CG-CG2 3.44Å; F188-I221 VanDerWaalsContact CG-CG2 3.44Å; F188-I221 HydrophobicContact CZ-CG2 3.99Å; F188-E222 HydrophobicContact CE2-CB 4.21Å; F188-E222 HydrophobicContact CZ-CB 4.36Å; F188-F226 HydrophobicContact CD1-CE2 4.19Å; F188-F226 HydrophobicContact CE1-CD2 4.07Å; F188-F226 AromaticContact CE1-CE2 3.39Å; F188-F226 HydrophobicContact CE1-CE2 3.39Å; F188-F226 AromaticContact CE1-CZ 3.73Å; F188-F226 HydrophobicContact CE1-CZ 3.73Å; F188-F226 HydrophobicContact CZ-CD2 4.08Å; F188-F226 AromaticContact CZ-CE2 3.87Å; F188-F226 HydrophobicContact CZ-CE2 3.87Å; F188-F226 HydrophobicContact CZ-CZ 4.47Å
189G98.2Very high95Very high0 Ų027.5 Ų27.50%013%0.129CC..Hα-helixtrans-57.8-44.8-17700000112.6S15 A185 L186 V187 T193S15-G189 WeakPolarHBondContact OG-CA 3.47Å; A185-G189 PolarHBondContact O-N 3.28Å; A185-G189 VanDerWaalsContact O-N 3.08Å; L186-G189 PolarHBondContact O-N 3.4Å; V187-G189 PolarHBondContact O-N 3.25Å; G189-T193 WeakPolarHBondContact O-CB 3.31Å; G189-T193 PolarHBondContact O-N 3.45Å; G189-T193 PolarHBondContact O-OG1 3.19Å
190H98.5Very high94.9Very high0 Ų024.2 Ų24.20%012%0.118CC..Hα-helixtrans-68-55.1177.3-76.1-73000112.8A11 V90 L94 E98 L186 V187 F188 F192 T193 I194A11-H190 WeakPolarHBondContact CB-ND1 3.37Å; V90-H190 HydrophobicContact CG1-CB 4.5Å; V90-H190 VanDerWaalsContact CG1-CD2 3.48Å; V90-H190 WeakPolarHBondContact CG1-CD2 3.41Å; L94-H190 HydrophobicContact CB-CB 4.16Å; L94-H190 HydrophobicContact CD1-CB 3.8Å; E98-H190 VanDerWaalsContact CD-ND1 3.27Å; E98-H190 IonicContact OE1-CE1 3.74Å; E98-H190 IonicContact OE1-CG 3.9Å; E98-H190 IonicContact OE1-ND1 3.89Å; E98-H190 PolarHBondContact OE1-ND1 3.45Å; E98-H190 IonicContact OE2-CE1 3.33Å; E98-H190 PolarHBondContact OE2-CE1 3.04Å; E98-H190 IonicContact OE2-ND1 3.41Å; E98-H190 PolarHBondContact OE2-ND1 2.98Å; L186-H190 PolarHBondContact O-CD2 3.36Å; L186-H190 PolarHBondContact O-N 2.78Å; V187-H190 PolarHBondContact O-N 2.98Å; F188-H190 VanDerWaalsContact C-N 3.33Å; F188-H190 PolarHBondContact O-N 3.4Å; H190-F192 PolarHBondContact O-N 2.87Å; H190-T193 PolarHBondContact O-N 2.98Å; H190-I194 WeakPolarHBondContact O-CG1 3.41Å; H190-I194 PolarHBondContact O-N 2.98Å
191L98.4Very high94.6Very high0 Ų025.9 Ų25.90%013%0.129CC..Hα-helixtrans-62.9-44.6-176.4-64.6-173.8000111.9L94 V187 F188 T193 I194 L195 V208 L214 C218L94-L191 HydrophobicContact CD1-CD2 3.85Å; L94-L191 HydrophobicContact CD1-CG 4.48Å; V187-L191 HydrophobicContact CG1-CD1 3.5Å; V187-L191 HydrophobicContact CG1-CG 3.93Å; V187-L191 WeakPolarHBondContact O-CB 3.37Å; V187-L191 WeakPolarHBondContact O-CG 3.42Å; V187-L191 PolarHBondContact O-N 3.22Å; F188-L191 PolarHBondContact O-N 3.48Å; L191-T193 VanDerWaalsContact C-N 3.3Å; L191-T193 PolarHBondContact O-N 3.44Å; L191-I194 PolarHBondContact O-N 3.33Å; L191-L195 WeakPolarHBondContact O-CB 3.44Å; L191-L195 WeakPolarHBondContact O-CD1 3.46Å; L191-L195 WeakPolarHBondContact O-CG 3.33Å; L191-L195 PolarHBondContact O-N 3.14Å; L191-V208 HydrophobicContact CB-CG1 4.44Å; L191-V208 HydrophobicContact CD2-CG1 3.92Å; L191-V208 HydrophobicContact CD2-CG2 4.07Å; L191-L214 HydrophobicContact CD1-CB 3.99Å; L191-L214 HydrophobicContact CD1-CD1 4.05Å; L191-L214 HydrophobicContact CD1-CD2 4.25Å; L191-L214 HydrophobicContact CD1-CG 4.33Å; L191-C218 VanDerWaalsContact CB-SG 3.58Å
192F97.3Very high94.3Very high36 Ų3630.1 Ų30.116%0.15816%0.155CC..Hα-helixtrans-61.4-41.3178.7-171.1-92.1000111.5L14 F188 H190 L195 T196 E222L14-F192 HydrophobicContact CD1-CD1 3.73Å; L14-F192 HydrophobicContact CD1-CE1 4.37Å; F188-F192 HydrophobicContact CD2-CB 4.21Å; F188-F192 HydrophobicContact CE2-CB 3.93Å; F188-F192 AromaticContact CE2-CD2 3.74Å; F188-F192 HydrophobicContact CE2-CD2 3.74Å; F188-F192 AromaticContact CE2-CG 3.96Å; F188-F192 HydrophobicContact CE2-CG 3.96Å; F188-F192 HydrophobicContact CZ-CB 4.14Å; F188-F192 HydrophobicContact CZ-CD1 4.5Å; F188-F192 HydrophobicContact CZ-CD2 4Å; F188-F192 AromaticContact CZ-CG 3.95Å; F188-F192 HydrophobicContact CZ-CG 3.95Å; F188-F192 WeakPolarHBondContact O-CB 3.41Å; F188-F192 PolarHBondContact O-N 3.42Å; H190-F192 PolarHBondContact O-N 2.87Å; F192-L195 PolarHBondContact O-N 3.18Å; F192-T196 HydrophobicContact CD1-CG2 4.17Å; F192-T196 HydrophobicContact CE1-CG2 3.82Å; F192-T196 HydrophobicContact CE2-CG2 4.23Å; F192-T196 HydrophobicContact CZ-CG2 3.86Å; F192-T196 WeakPolarHBondContact O-CB 3.4Å; F192-T196 WeakPolarHBondContact O-CG2 3.29Å; F192-T196 PolarHBondContact O-N 3.07Å; F192-T196 PolarHBondContact O-OG1 3.29Å; F192-E222 HydrophobicContact CE2-CB 4.39Å; F192-E222 VanDerWaalsContact CE2-CD 3.46Å; F192-E222 HydrophobicContact CE2-CG 4.24Å; F192-E222 WeakPolarHBondContact CE2-OE1 3.45Å; F192-E222 VanDerWaalsContact CZ-OE1 3.25Å; F192-E222 WeakPolarHBondContact CZ-OE1 3.32Å
193T95.3Very high94.1Very high0 Ų033.6 Ų33.60%017%0.171CC..Hα-helixtrans-67.2-43.4179-62.30000112.1L7 H10 A11 L14 G189 H190 L191 L195 T196 T197L7-T193 HydrophobicContact CD1-CG2 3.6Å; L7-T193 HydrophobicContact CG-CG2 4.21Å; L7-T193 VanDerWaalsContact O-CG2 3.27Å; L7-T193 WeakPolarHBondContact O-CG2 3.36Å; H10-T193 HydrophobicContact CB-CG2 3.92Å; A11-T193 VanDerWaalsContact CA-OG1 3.28Å; A11-T193 WeakPolarHBondContact CA-OG1 3.36Å; A11-T193 HydrophobicContact CB-CG2 4Å; A11-T193 PolarHBondContact N-OG1 2.65Å; L14-T193 WeakPolarHBondContact CD1-OG1 3.44Å; G189-T193 WeakPolarHBondContact O-CB 3.31Å; G189-T193 PolarHBondContact O-N 3.45Å; G189-T193 PolarHBondContact O-OG1 3.19Å; H190-T193 PolarHBondContact O-N 2.98Å; L191-T193 VanDerWaalsContact C-N 3.3Å; L191-T193 PolarHBondContact O-N 3.44Å; T193-L195 VanDerWaalsContact C-N 3.28Å; T193-L195 PolarHBondContact O-N 3.14Å; T193-T196 PolarHBondContact O-N 2.85Å; T193-T197 WeakPolarHBondContact CG2-OG1 3.37Å; T193-T197 WeakPolarHBondContact O-CB 3.42Å; T193-T197 PolarHBondContact O-N 3.23Å; T193-T197 PolarHBondContact O-OG1 2.88Å
194I95.8Very high93.8Very high3 Ų333.7 Ų33.72%0.01517%0.172CC..Hα-helixtrans-58.5-41.9174-71.1167.8000110.9L94 E98 H190 L191 L204 A205 V208L94-I194 HydrophobicContact CD2-CD1 4.45Å; E98-I194 HydrophobicContact CG-CD1 4.38Å; E98-I194 HydrophobicContact CG-CG1 4.26Å; H190-I194 WeakPolarHBondContact O-CG1 3.41Å; H190-I194 PolarHBondContact O-N 2.98Å; L191-I194 PolarHBondContact O-N 3.33Å; I194-L204 HydrophobicContact CG1-CD2 4.11Å; I194-L204 HydrophobicContact CG1-CG 4.49Å; I194-L204 HydrophobicContact CG2-CD2 4.11Å; I194-L204 HydrophobicContact CG2-CG 3.79Å; I194-A205 HydrophobicContact CG2-CB 4.46Å; I194-V208 HydrophobicContact CB-CG2 4.45Å; I194-V208 HydrophobicContact CD1-CG2 4.48Å; I194-V208 HydrophobicContact CG2-CB 4.49Å; I194-V208 HydrophobicContact CG2-CG2 3.69Å
195L95.1Very high93.6Very high43 Ų4334.3 Ų34.323%0.22518%0.177CC..Hα-helixtrans-71.8-29.1-178-71.2166.4000113.8L191 F192 T193 V208 K209 L215L191-L195 WeakPolarHBondContact O-CB 3.44Å; L191-L195 WeakPolarHBondContact O-CD1 3.46Å; L191-L195 WeakPolarHBondContact O-CG 3.33Å; L191-L195 PolarHBondContact O-N 3.14Å; F192-L195 PolarHBondContact O-N 3.18Å; T193-L195 VanDerWaalsContact C-N 3.28Å; T193-L195 PolarHBondContact O-N 3.14Å; L195-V208 HydrophobicContact CD1-CG1 4.05Å; L195-V208 HydrophobicContact CD2-CB 4.09Å; L195-V208 HydrophobicContact CD2-CG1 3.87Å; L195-V208 HydrophobicContact CG-CB 4.49Å; L195-V208 HydrophobicContact CG-CG1 3.95Å; L195-K209 HydrophobicContact CD2-CG 3.65Å; L195-L215 HydrophobicContact CD1-CD2 3.56Å; L195-L215 HydrophobicContact CD2-CD2 3.78Å; L195-L215 HydrophobicContact CG-CD2 4.33Å
196T91.4Very high93.5Very high73 Ų7338.4 Ų38.445%0.44820%0.196SC..Hα-helixtrans-106.9-18.6-170.656.40000113.9F192 T193F192-T196 HydrophobicContact CD1-CG2 4.17Å; F192-T196 HydrophobicContact CE1-CG2 3.82Å; F192-T196 HydrophobicContact CE2-CG2 4.23Å; F192-T196 HydrophobicContact CZ-CG2 3.86Å; F192-T196 WeakPolarHBondContact O-CB 3.4Å; F192-T196 WeakPolarHBondContact O-CG2 3.29Å; F192-T196 PolarHBondContact O-N 3.07Å; F192-T196 PolarHBondContact O-OG1 3.29Å; T193-T196 PolarHBondContact O-N 2.85Å
197T87.9Confident93.4Very high27 Ų2740.8 Ų40.817%0.16621%0.205CC..SBendtrans-84.1131.3-178.6-56.80000111.3L7 T193 L199L7-T197 HydrophobicContact CB-CG2 4.45Å; L7-T197 HydrophobicContact CD1-CG2 3.57Å; L7-T197 WeakPolarHBondContact CD1-OG1 3.31Å; T193-T197 WeakPolarHBondContact CG2-OG1 3.37Å; T193-T197 WeakPolarHBondContact O-CB 3.42Å; T193-T197 PolarHBondContact O-N 3.23Å; T193-T197 PolarHBondContact O-OG1 2.88Å; T197-L199 HydrophobicContact CG2-CD2 4.27Å; T197-L199 PolarHBondContact O-N 3.35Å
198R82.3Confident93.3Very high216 Ų21640.8 Ų40.882%0.81521%0.205SC*.  trans-79.4121172.2-62.8-177-177-176.20.8110.4
199L82.4Confident93.2Very high31 Ų3145.1 Ų45.116%0.16222%0.224CC..  trans-114.8175.9171.5-59.5175.4000109.6L7 V101 T108 T197 S201 L204L7-L199 HydrophobicContact CD2-CD1 3.96Å; L7-L199 HydrophobicContact CD2-CD2 4.25Å; V101-L199 HydrophobicContact CG1-CD1 4.06Å; T108-L199 HydrophobicContact CG2-CD2 4.47Å; T197-L199 HydrophobicContact CG2-CD2 4.27Å; T197-L199 PolarHBondContact O-N 3.35Å; L199-S201 PolarHBondContact O-N 3.49Å; L199-L204 HydrophobicContact CD1-CD2 4.03Å
200T86.3Confident93.2Very high58 Ų5848.9 Ų48.936%0.35625%0.25SC..SBendtrans-68-25175.355.60000112.5T108 E111 I112T108-T200 PolarHBondContact OG1-OG1 3.27Å; E111-T200 HydrophobicContact CB-CG2 4.39Å; I112-T200 HydrophobicContact CD1-CG2 3.8Å; I112-T200 HydrophobicContact CG1-CG2 4.23Å
201S90.1Very high93.2Very high41 Ų4150.5 Ų50.529%0.28726%0.256SS..  trans-126.8143.9175.7177.40000111L199 E203L199-S201 PolarHBondContact O-N 3.49Å; S201-E203 WeakPolarHBondContact OG-CG 3.43Å; S201-E203 PolarHBondContact OG-N 3.45Å
202T91.6Very high93.2Very high92 Ų9254.8 Ų54.856%0.56429%0.286SS*.SBendtrans-90.8-7176.353.80000113.4L204 A205 E206T202-L204 VanDerWaalsContact C-N 3.3Å; T202-L204 PolarHBondContact O-N 3.17Å; T202-A205 WeakPolarHBondContact O-CA 3.25Å; T202-A205 WeakPolarHBondContact O-CB 3.27Å; T202-A205 PolarHBondContact O-N 2.95Å; T202-E206 PolarHBondContact O-N 2.89Å
203E93.4Very high93.2Very high81 Ų8154.9 Ų54.938%0.37929%0.288SS..Hα-helixtrans-52.9-44.4-173.5-73.8-64153.500112.9Y155 S201 A205 E206 R207Y155-E203 HydrophobicContact CD2-CB 3.76Å; Y155-E203 HydrophobicContact CD2-CG 4.43Å; Y155-E203 HydrophobicContact CE1-CB 4.43Å; Y155-E203 HydrophobicContact CE2-CB 3.43Å; Y155-E203 VanDerWaalsContact CE2-CB 3.43Å; Y155-E203 HydrophobicContact CE2-CG 4Å; Y155-E203 HydrophobicContact CG-CB 4.4Å; S201-E203 WeakPolarHBondContact OG-CG 3.43Å; S201-E203 PolarHBondContact OG-N 3.45Å; E203-A205 VanDerWaalsContact C-N 3.29Å; E203-A205 PolarHBondContact O-N 3.26Å; E203-E206 PolarHBondContact O-N 2.95Å; E203-E206 VanDerWaalsContact O-N 3.11Å; E203-R207 WeakPolarHBondContact O-CG 3.4Å; E203-R207 PolarHBondContact O-N 2.7Å
204L92Very high93.4Very high2 Ų254.9 Ų54.91%0.0129%0.288CS..Hα-helixtrans-57.1-43.5177.7-173.868.3000112L7 Y155 V158 I194 L199 T202 V208L7-L204 HydrophobicContact CD2-CD2 4.35Å; Y155-L204 HydrophobicContact CD1-CB 4.31Å; Y155-L204 HydrophobicContact CD1-CD1 4.11Å; Y155-L204 HydrophobicContact CE1-CB 4.04Å; Y155-L204 HydrophobicContact CE1-CD1 4.41Å; V158-L204 HydrophobicContact CB-CD1 4.12Å; V158-L204 HydrophobicContact CG1-CD1 3.91Å; V158-L204 HydrophobicContact CG2-CD1 3.69Å; I194-L204 HydrophobicContact CG1-CD2 4.11Å; I194-L204 HydrophobicContact CG1-CG 4.49Å; I194-L204 HydrophobicContact CG2-CD2 4.11Å; I194-L204 HydrophobicContact CG2-CG 3.79Å; L199-L204 HydrophobicContact CD1-CD2 4.03Å; T202-L204 VanDerWaalsContact C-N 3.3Å; T202-L204 PolarHBondContact O-N 3.17Å; L204-V208 PolarHBondContact O-N 2.78Å
205A94.9Very high93.5Very high13 Ų1357.5 Ų57.511%0.10730%0.302CS..Hα-helixtrans-70.4-37.1177.300000111.7I194 T202 E203 R207 V208 K209I194-A205 HydrophobicContact CG2-CB 4.46Å; T202-A205 WeakPolarHBondContact O-CA 3.25Å; T202-A205 WeakPolarHBondContact O-CB 3.27Å; T202-A205 PolarHBondContact O-N 2.95Å; E203-A205 VanDerWaalsContact C-N 3.29Å; E203-A205 PolarHBondContact O-N 3.26Å; A205-R207 VanDerWaalsContact C-N 3.34Å; A205-R207 PolarHBondContact O-N 2.74Å; A205-V208 PolarHBondContact O-N 3.28Å; A205-K209 VanDerWaalsContact O-CG 3.28Å; A205-K209 WeakPolarHBondContact O-CG 3.44Å; A205-K209 PolarHBondContact O-N 3.19Å
206E96.4Very high93.7Very high86 Ų8658.6 Ų58.640%0.40231%0.313SS..Hα-helixtrans-63.4-37.6176.6-65.5-49.312900112.3T202 E203 V208 K209 S210T202-E206 PolarHBondContact O-N 2.89Å; E203-E206 PolarHBondContact O-N 2.95Å; E203-E206 VanDerWaalsContact O-N 3.11Å; E206-V208 VanDerWaalsContact C-N 3.33Å; E206-V208 PolarHBondContact O-N 2.99Å; E206-K209 PolarHBondContact O-N 3.45Å; E206-K209 WeakPolarHBondContact OE1-CD 3.3Å; E206-K209 IonicContact OE1-NZ 2.64Å; E206-K209 PolarHBondContact OE1-NZ 2.96Å; E206-S210 PolarHBondContact O-N 3.5Å
207R95.6Very high94Very high53 Ų5355.1 Ų55.120%0.229%0.292CS..Hα-helixtrans-58.5-44.8172.6-61-51.1171.9133.73.2111.7E152 E156 E203 A205 S210 Y211E152-R207 IonicContact OE1-CZ 2.59Å; E152-R207 IonicContact OE1-NH2 3.1Å; E152-R207 PolarHBondContact OE1-NH2 3.39Å; E152-R207 IonicContact OE2-NH2 2.7Å; E152-R207 PolarHBondContact OE2-NH2 3.19Å; E156-R207 IonicContact OE2-NH1 3.73Å; E203-R207 WeakPolarHBondContact O-CG 3.4Å; E203-R207 PolarHBondContact O-N 2.7Å; A205-R207 VanDerWaalsContact C-N 3.34Å; A205-R207 PolarHBondContact O-N 2.74Å; R207-S210 PolarHBondContact O-N 3.24Å; R207-S210 PolarHBondContact O-OG 3.07Å; R207-Y211 WeakPolarHBondContact O-CD2 3.27Å; R207-Y211 WeakPolarHBondContact O-CE2 3.2Å
208V96.9Very high94.5Very high0 Ų054 Ų540%029%0.285CS..Hα-helixtrans-66.5-42.1176.5-1800000111.6L191 I194 L195 L204 A205 E206 S210 Y211L191-V208 HydrophobicContact CB-CG1 4.44Å; L191-V208 HydrophobicContact CD2-CG1 3.92Å; L191-V208 HydrophobicContact CD2-CG2 4.07Å; I194-V208 HydrophobicContact CB-CG2 4.45Å; I194-V208 HydrophobicContact CD1-CG2 4.48Å; I194-V208 HydrophobicContact CG2-CB 4.49Å; I194-V208 HydrophobicContact CG2-CG2 3.69Å; L195-V208 HydrophobicContact CD1-CG1 4.05Å; L195-V208 HydrophobicContact CD2-CB 4.09Å; L195-V208 HydrophobicContact CD2-CG1 3.87Å; L195-V208 HydrophobicContact CG-CB 4.49Å; L195-V208 HydrophobicContact CG-CG1 3.95Å; L204-V208 PolarHBondContact O-N 2.78Å; A205-V208 PolarHBondContact O-N 3.28Å; E206-V208 VanDerWaalsContact C-N 3.33Å; E206-V208 PolarHBondContact O-N 2.99Å; V208-S210 PolarHBondContact O-N 3.45Å; V208-Y211 PolarHBondContact O-N 3.02Å; V208-Y211 VanDerWaalsContact O-N 3.07Å
209K97.4Very high95.2Very high92 Ų9251.5 Ų51.540%0.428%0.276SS..Hα-helixtrans-62.7-23-178.2-73.7171.9-169.4171.50113.9L195 A205 E206 Y211L195-K209 HydrophobicContact CD2-CG 3.65Å; A205-K209 VanDerWaalsContact O-CG 3.28Å; A205-K209 WeakPolarHBondContact O-CG 3.44Å; A205-K209 PolarHBondContact O-N 3.19Å; E206-K209 PolarHBondContact O-N 3.45Å; E206-K209 WeakPolarHBondContact OE1-CD 3.3Å; E206-K209 IonicContact OE1-NZ 2.64Å; E206-K209 PolarHBondContact OE1-NZ 2.96Å; K209-Y211 PolarHBondContact O-N 2.94Å
210S97.8Very high95.9Very high79 Ų7954.6 Ų54.655%0.55229%0.285SS*.THydrogen-bonded Turntrans-63.8-16174.874.80000113.8E206 R207 V208E206-S210 PolarHBondContact O-N 3.5Å; R207-S210 PolarHBondContact O-N 3.24Å; R207-S210 PolarHBondContact O-OG 3.07Å; V208-S210 PolarHBondContact O-N 3.45Å
211Y98.4Very high96.4Very high35 Ų3551.8 Ų51.814%0.13727%0.268CS..  trans-106.588.5-179.4-61.1-84.9000112.2N159 C162 Q163 R207 V208 K209 N213 L214 L215N159-Y211 PolarHBondContact O-OH 2.85Å; N159-Y211 WeakPolarHBondContact OD1-CE2 3.5Å; N159-Y211 PolarHBondContact OD1-OH 3.26Å; C162-Y211 HydrophobicContact CB-CD2 3.48Å; C162-Y211 VanDerWaalsContact CB-CD2 3.48Å; C162-Y211 HydrophobicContact CB-CE2 3.38Å; C162-Y211 HydrophobicContact CB-CG 4.21Å; Q163-Y211 HydrophobicContact CB-CE1 4.07Å; Q163-Y211 WeakPolarHBondContact CB-OH 3.23Å; Q163-Y211 HydrophobicContact CG-CE1 4.41Å; R207-Y211 WeakPolarHBondContact O-CD2 3.27Å; R207-Y211 WeakPolarHBondContact O-CE2 3.2Å; V208-Y211 PolarHBondContact O-N 3.02Å; V208-Y211 VanDerWaalsContact O-N 3.07Å; K209-Y211 PolarHBondContact O-N 2.94Å; Y211-N213 VanDerWaalsContact C-N 3.3Å; Y211-N213 PolarHBondContact O-N 3.01Å; Y211-L214 HydrophobicContact CG-CD1 4.17Å; Y211-L214 WeakPolarHBondContact O-CB 3.44Å; Y211-L214 PolarHBondContact O-N 3.43Å; Y211-L214 VanDerWaalsContact O-N 3.09Å; Y211-L215 PolarHBondContact O-N 3.23Å; Y211-L215 VanDerWaalsContact O-N 3.14Å
212S98.3Very high96.7Very high89 Ų8952.2 Ų52.262%0.62227%0.266SS*.Hα-helixtrans-60.5-31.3-174.9620000114.9L215 S216S212-L215 PolarHBondContact O-N 2.94Å; S212-S216 WeakPolarHBondContact O-CB 3.18Å; S212-S216 PolarHBondContact O-N 2.86Å; S212-S216 PolarHBondContact O-OG 2.96Å
213N98.4Very high96.9Very high38 Ų3851.6 Ų51.620%0.20326%0.256CS..Hα-helixtrans-70.1-36.1176.266.4-25.4000112.1S166 G170 Y211 S216 F217S166-N213 PolarHBondContact O-ND2 3.04Å; S166-N213 VanDerWaalsContact OG-CG 3.25Å; S166-N213 PolarHBondContact OG-ND2 3.42Å; S166-N213 PolarHBondContact OG-OD1 3Å; G170-N213 PolarHBondContact O-ND2 3.01Å; Y211-N213 VanDerWaalsContact C-N 3.3Å; Y211-N213 PolarHBondContact O-N 3.01Å; N213-S216 PolarHBondContact O-N 3.07Å; N213-F217 WeakPolarHBondContact O-CB 3.39Å; N213-F217 PolarHBondContact O-N 3.5Å
214L98.6Very high96.9Very high0 Ų050.9 Ų50.90%026%0.258CS..Hα-helixtrans-67.9-37.9173.3-65.3-175.6000111.9C162 L165 L169 F175 L191 Y211 F217 C218C162-L214 HydrophobicContact CB-CD1 4.02Å; C162-L214 WeakPolarHBondContact O-CD1 3.46Å; L165-L214 HydrophobicContact CB-CD1 4.39Å; L165-L214 HydrophobicContact CB-CD2 4.22Å; L169-L214 HydrophobicContact CD2-CD2 3.97Å; F175-L214 HydrophobicContact CZ-CD2 4.47Å; L191-L214 HydrophobicContact CD1-CB 3.99Å; L191-L214 HydrophobicContact CD1-CD1 4.05Å; L191-L214 HydrophobicContact CD1-CD2 4.25Å; L191-L214 HydrophobicContact CD1-CG 4.33Å; Y211-L214 HydrophobicContact CG-CD1 4.17Å; Y211-L214 WeakPolarHBondContact O-CB 3.44Å; Y211-L214 PolarHBondContact O-N 3.43Å; Y211-L214 VanDerWaalsContact O-N 3.09Å; L214-F217 WeakPolarHBondContact O-CB 3.25Å; L214-F217 PolarHBondContact O-N 2.64Å; L214-C218 PolarHBondContact O-N 2.59Å; L214-C218 PolarHBondContact O-SG 3.22Å
215L98.4Very high97.1Very high59 Ų5953 Ų5331%0.30927%0.266SS..Hα-helixtrans-61.7-45.4172.1-62.4-175.4000111.5L195 Y211 S212 F217 C218 R219L195-L215 HydrophobicContact CD1-CD2 3.56Å; L195-L215 HydrophobicContact CD2-CD2 3.78Å; L195-L215 HydrophobicContact CG-CD2 4.33Å; Y211-L215 PolarHBondContact O-N 3.23Å; Y211-L215 VanDerWaalsContact O-N 3.14Å; S212-L215 PolarHBondContact O-N 2.94Å; L215-F217 VanDerWaalsContact C-N 3.31Å; L215-F217 PolarHBondContact O-N 3.37Å; L215-C218 PolarHBondContact O-N 3.31Å; L215-R219 PolarHBondContact O-N 3.47Å
216S98.1Very high96.9Very high65 Ų6553.8 Ų53.846%0.45527%0.267SS..Hα-helixtrans-63.1-39177.7-58.50000111.8S212 N213 R220S212-S216 WeakPolarHBondContact O-CB 3.18Å; S212-S216 PolarHBondContact O-N 2.86Å; S212-S216 PolarHBondContact O-OG 2.96Å; N213-S216 PolarHBondContact O-N 3.07Å; S216-R220 WeakPolarHBondContact O-CB 3.46Å; S216-R220 PolarHBondContact O-N 3.11Å
217F98.3Very high96.4Very high0 Ų053.6 Ų53.60%027%0.266CS..Hα-helixtrans-60.5-48.9172.7163.1-94000112.1L169 F175 D184 V187 F188 N213 L214 L215 R219 R220 I221L169-F217 HydrophobicContact CD1-CD2 4.06Å; L169-F217 HydrophobicContact CD2-CB 3.66Å; L169-F217 HydrophobicContact CD2-CD2 4.28Å; L169-F217 HydrophobicContact CD2-CG 4.11Å; F175-F217 HydrophobicContact CD2-CE2 4.1Å; F175-F217 HydrophobicContact CD2-CZ 4.19Å; F175-F217 HydrophobicContact CE2-CE1 4.22Å; F175-F217 AromaticContact CE2-CE2 3.93Å; F175-F217 HydrophobicContact CE2-CE2 3.93Å; F175-F217 AromaticContact CE2-CZ 3.75Å; F175-F217 HydrophobicContact CE2-CZ 3.75Å; D184-F217 HydrophobicContact CB-CE2 4.1Å; D184-F217 HydrophobicContact CB-CZ 4.05Å; D184-F217 WeakPolarHBondContact O-CZ 3.42Å; D184-F217 WeakPolarHBondContact OD1-CE2 3.4Å; V187-F217 HydrophobicContact CB-CE1 4.18Å; V187-F217 HydrophobicContact CB-CZ 4.36Å; V187-F217 HydrophobicContact CG1-CE1 3.79Å; V187-F217 HydrophobicContact CG1-CZ 4.37Å; F188-F217 HydrophobicContact CB-CE1 4.16Å; F188-F217 HydrophobicContact CB-CZ 4.47Å; N213-F217 WeakPolarHBondContact O-CB 3.39Å; N213-F217 PolarHBondContact O-N 3.5Å; L214-F217 WeakPolarHBondContact O-CB 3.25Å; L214-F217 PolarHBondContact O-N 2.64Å; L215-F217 VanDerWaalsContact C-N 3.31Å; L215-F217 PolarHBondContact O-N 3.37Å; F217-R219 PolarHBondContact O-N 2.97Å; F217-R220 WeakPolarHBondContact O-CB 3.18Å; F217-R220 PolarHBondContact O-N 3.35Å; F217-I221 HydrophobicContact CD1-CD1 4.4Å; F217-I221 HydrophobicContact CD2-CD1 4.06Å; F217-I221 HydrophobicContact CE1-CD1 3.74Å; F217-I221 HydrophobicContact CE2-CD1 3.36Å; F217-I221 HydrophobicContact CE2-CG1 4.36Å; F217-I221 HydrophobicContact CZ-CD1 3.17Å; F217-I221 HydrophobicContact CZ-CG1 4.47Å; F217-I221 PolarHBondContact O-N 2.9Å; F217-I221 VanDerWaalsContact O-N 3.1Å
218C98.1Very high94.6Very high4 Ų457.2 Ų57.23%0.02729%0.289CS..Hα-helixtrans-60.1-46.9179.2-66.80000111.5F188 L191 L214 L215 R220 I221 E222F188-C218 HydrophobicContact CD2-CB 4.33Å; F188-C218 WeakPolarHBondContact CE2-O 3.41Å; L191-C218 VanDerWaalsContact CB-SG 3.58Å; L214-C218 PolarHBondContact O-N 2.59Å; L214-C218 PolarHBondContact O-SG 3.22Å; L215-C218 PolarHBondContact O-N 3.31Å; C218-R220 VanDerWaalsContact C-N 3.31Å; C218-R220 PolarHBondContact O-N 2.82Å; C218-I221 PolarHBondContact O-N 3.33Å; C218-E222 PolarHBondContact O-N 3.31Å
219R97.2Very high92.5Very high163 Ų16362.3 Ų62.362%0.61531%0.312SS*.Hα-helixtrans-59.1-41.9177.1-174.1176-176.51644.4112.1L215 F217 I221 E222 Q223L215-R219 PolarHBondContact O-N 3.47Å; F217-R219 PolarHBondContact O-N 2.97Å; R219-I221 PolarHBondContact O-N 2.97Å; R219-E222 PolarHBondContact O-N 3.43Å; R219-Q223 HydrophobicContact CG-CG 4.38Å; R219-Q223 WeakPolarHBondContact O-CB 3.28Å; R219-Q223 VanDerWaalsContact O-CG 3.24Å; R219-Q223 WeakPolarHBondContact O-CG 3.49Å; R219-Q223 PolarHBondContact O-N 2.74Å
220R96.7Very high90.1Very high96 Ų9665.5 Ų65.536%0.36233%0.325SS..Hα-helixtrans-60.7-45.9178.3-167.7-165.2-41.9-88.3-2.3111.5P173 S216 F217 C218 T224P173-R220 PolarHBondContact O-NE 2.97Å; S216-R220 WeakPolarHBondContact O-CB 3.46Å; S216-R220 PolarHBondContact O-N 3.11Å; F217-R220 WeakPolarHBondContact O-CB 3.18Å; F217-R220 PolarHBondContact O-N 3.35Å; C218-R220 VanDerWaalsContact C-N 3.31Å; C218-R220 PolarHBondContact O-N 2.82Å; R220-T224 VanDerWaalsContact O-CB 3.27Å; R220-T224 WeakPolarHBondContact O-CB 3.43Å; R220-T224 PolarHBondContact O-N 3.18Å; R220-T224 PolarHBondContact O-OG1 2.97Å
221I97.1Very high87Confident0 Ų068.8 Ų68.80%034%0.336CS..Hα-helixtrans-67.4-42.9-180-71.7174.5000111M22 Y174 D184 F188 F217 C218 R219 Q223 T224 Y225 F226M22-I221 HydrophobicContact CE-CD1 3.75Å; M22-I221 HydrophobicContact CE-CG1 4.03Å; M22-I221 HydrophobicContact CE-CG2 3.78Å; Y174-I221 HydrophobicContact CE1-CG1 4.31Å; D184-I221 HydrophobicContact CB-CD1 4.3Å; F188-I221 HydrophobicContact CB-CD1 3.77Å; F188-I221 HydrophobicContact CB-CG2 4.07Å; F188-I221 HydrophobicContact CD1-CG2 3.72Å; F188-I221 HydrophobicContact CD2-CB 3.63Å; F188-I221 HydrophobicContact CD2-CD1 4.33Å; F188-I221 HydrophobicContact CD2-CG2 3.47Å; F188-I221 VanDerWaalsContact CD2-CG2 3.47Å; F188-I221 HydrophobicContact CE1-CG2 3.99Å; F188-I221 HydrophobicContact CE2-CB 3.97Å; F188-I221 HydrophobicContact CE2-CG2 3.75Å; F188-I221 HydrophobicContact CG-CB 4.04Å; F188-I221 HydrophobicContact CG-CD1 4.24Å; F188-I221 HydrophobicContact CG-CG2 3.44Å; F188-I221 VanDerWaalsContact CG-CG2 3.44Å; F188-I221 HydrophobicContact CZ-CG2 3.99Å; F217-I221 HydrophobicContact CD1-CD1 4.4Å; F217-I221 HydrophobicContact CD2-CD1 4.06Å; F217-I221 HydrophobicContact CE1-CD1 3.74Å; F217-I221 HydrophobicContact CE2-CD1 3.36Å; F217-I221 HydrophobicContact CE2-CG1 4.36Å; F217-I221 HydrophobicContact CZ-CD1 3.17Å; F217-I221 HydrophobicContact CZ-CG1 4.47Å; F217-I221 PolarHBondContact O-N 2.9Å; F217-I221 VanDerWaalsContact O-N 3.1Å; C218-I221 PolarHBondContact O-N 3.33Å; R219-I221 PolarHBondContact O-N 2.97Å; I221-Q223 PolarHBondContact O-N 3.19Å; I221-T224 PolarHBondContact O-N 3.23Å; I221-Y225 HydrophobicContact CB-CD2 4.42Å; I221-Y225 HydrophobicContact CG2-CD2 3.98Å; I221-Y225 WeakPolarHBondContact O-CB 3.46Å; I221-Y225 WeakPolarHBondContact O-CD2 3.33Å; I221-Y225 PolarHBondContact O-N 2.9Å; I221-F226 HydrophobicContact CG2-CE2 4.29Å
222E96.6Very high83.8Confident50 Ų5075.3 Ų75.323%0.23437%0.37CS..Iπ-helixtrans-56.5-51.3175.4-176.4178.8-148.500111.3F188 F192 C218 R219 T224 F226 E227F188-E222 HydrophobicContact CE2-CB 4.21Å; F188-E222 HydrophobicContact CZ-CB 4.36Å; F192-E222 HydrophobicContact CE2-CB 4.39Å; F192-E222 VanDerWaalsContact CE2-CD 3.46Å; F192-E222 HydrophobicContact CE2-CG 4.24Å; F192-E222 WeakPolarHBondContact CE2-OE1 3.45Å; F192-E222 VanDerWaalsContact CZ-OE1 3.25Å; F192-E222 WeakPolarHBondContact CZ-OE1 3.32Å; C218-E222 PolarHBondContact O-N 3.31Å; R219-E222 PolarHBondContact O-N 3.43Å; E222-T224 PolarHBondContact O-N 3.48Å; E222-F226 HydrophobicContact CG-CB 4.43Å; E222-F226 CarbonylContact O-C 3.55Å; E222-F226 VanDerWaalsContact O-CA 3.27Å; E222-F226 WeakPolarHBondContact O-CA 3.47Å; E222-F226 VanDerWaalsContact O-CB 3.27Å; E222-F226 WeakPolarHBondContact O-CB 3.41Å; E222-F226 PolarHBondContact O-N 3.44Å; E222-E227 HydrophobicContact CG-CG 4.41Å; E222-E227 PolarHBondContact O-N 3.44Å
223Q95.4Very high80.6Confident79 Ų7979.9 Ų79.937%0.36938%0.378SS..Iπ-helixtrans-61.2-47.5179.1-70.5-179.6-25.800112R219 I221 E227R219-Q223 HydrophobicContact CG-CG 4.38Å; R219-Q223 WeakPolarHBondContact O-CB 3.28Å; R219-Q223 VanDerWaalsContact O-CG 3.24Å; R219-Q223 WeakPolarHBondContact O-CG 3.49Å; R219-Q223 PolarHBondContact O-N 2.74Å; I221-Q223 PolarHBondContact O-N 3.19Å; Q223-E227 WeakPolarHBondContact CG-OE2 3.38Å
224T95Very high77.5Confident66 Ų6689 Ų8941%0.40543%0.427SS..Iπ-helixtrans-72.3-36.1-173-51.90000112.8R220 I221 E222R220-T224 VanDerWaalsContact O-CB 3.27Å; R220-T224 WeakPolarHBondContact O-CB 3.43Å; R220-T224 PolarHBondContact O-N 3.18Å; R220-T224 PolarHBondContact O-OG1 2.97Å; I221-T224 PolarHBondContact O-N 3.23Å; E222-T224 PolarHBondContact O-N 3.48Å
225Y95Very high76.4Confident47 Ų4793.4 Ų93.418%0.18445%0.448CS..Iπ-helixtrans-116.7-16.7-169.4-61-74.9000114R21 M22 Y174 I221R21-Y225 WeakPolarHBondContact CD-O 3.44Å; R21-Y225 PolarHBondContact NH1-O 3.35Å; M22-Y225 HydrophobicContact CB-CE1 4.18Å; M22-Y225 HydrophobicContact CE-CD2 4.15Å; M22-Y225 HydrophobicContact CE-CE2 4.04Å; M22-Y225 HydrophobicContact CG-CD1 4.01Å; M22-Y225 HydrophobicContact CG-CD2 4.12Å; M22-Y225 HydrophobicContact CG-CE1 3.74Å; M22-Y225 HydrophobicContact CG-CE2 3.85Å; M22-Y225 HydrophobicContact CG-CG 4.19Å; Y174-Y225 HydrophobicContact CE1-CE2 4.5Å; Y174-Y225 PolarHBondContact OH-OH 2.9Å; I221-Y225 HydrophobicContact CB-CD2 4.42Å; I221-Y225 HydrophobicContact CG2-CD2 3.98Å; I221-Y225 WeakPolarHBondContact O-CB 3.46Å; I221-Y225 WeakPolarHBondContact O-CD2 3.33Å; I221-Y225 PolarHBondContact O-N 2.9Å
226F92.3Very high75.3Confident28 Ų2895.2 Ų95.212%0.12346%0.456CS..Iπ-helixtrans-116.7-33.3-174.3-66.3-98.3000115.3L14 Q17 A18 R21 F188 I221 E222L14-F226 HydrophobicContact CD2-CE1 4.14Å; L14-F226 HydrophobicContact CD2-CZ 4.49Å; Q17-F226 HydrophobicContact CB-CE1 4.35Å; Q17-F226 HydrophobicContact CB-CZ 4.41Å; A18-F226 HydrophobicContact CB-CE2 4Å; A18-F226 HydrophobicContact CB-CZ 3.92Å; R21-F226 VanDerWaalsContact CZ-CD1 3.45Å; F188-F226 HydrophobicContact CD1-CE2 4.19Å; F188-F226 HydrophobicContact CE1-CD2 4.07Å; F188-F226 AromaticContact CE1-CE2 3.39Å; F188-F226 HydrophobicContact CE1-CE2 3.39Å; F188-F226 AromaticContact CE1-CZ 3.73Å; F188-F226 HydrophobicContact CE1-CZ 3.73Å; F188-F226 HydrophobicContact CZ-CD2 4.08Å; F188-F226 AromaticContact CZ-CE2 3.87Å; F188-F226 HydrophobicContact CZ-CE2 3.87Å; F188-F226 HydrophobicContact CZ-CZ 4.47Å; I221-F226 HydrophobicContact CG2-CE2 4.29Å; E222-F226 HydrophobicContact CG-CB 4.43Å; E222-F226 CarbonylContact O-C 3.55Å; E222-F226 VanDerWaalsContact O-CA 3.27Å; E222-F226 WeakPolarHBondContact O-CA 3.47Å; E222-F226 VanDerWaalsContact O-CB 3.27Å; E222-F226 WeakPolarHBondContact O-CB 3.41Å; E222-F226 PolarHBondContact O-N 3.44Å
227E84.6Confident74Confident82 Ų8296.9 Ų96.938%0.38346%0.456SS..Iπ-helixtrans-76.5-41.2-176.6-69.3-175.8176.800113.8E222 Q223 K229 K230E222-E227 HydrophobicContact CG-CG 4.41Å; E222-E227 PolarHBondContact O-N 3.44Å; Q223-E227 WeakPolarHBondContact CG-OE2 3.38Å; E227-K229 PolarHBondContact O-N 3.45Å; E227-K230 PolarHBondContact O-N 2.7Å
228D58.4Low72.6Confident130 Ų130102.6 Ų102.670%0.69548%0.482SS*.THydrogen-bonded Turntrans-61.9-15.8-179.3-78.8-19.1000114.4
229K53.2Low71Confident107 Ų107108.8 Ų108.847%0.46551%0.511SS..THydrogen-bonded Turntrans-100.8-0.8179-67.4-173.9178.41800114.2E227E227-K229 PolarHBondContact O-N 3.45Å
230K45.8Very low69.2Low159 Ų159105.1 Ų105.169%0.69150%0.504SS*.G310 helixtrans-76-24.3170.2-83.6179.6178.1170.70112.4E227 M232E227-K230 PolarHBondContact O-N 2.7Å; K230-M232 VanDerWaalsContact C-N 3.32Å; K230-M232 PolarHBondContact O-N 3.28Å
231L33.2Very low67.3Low147 Ų147105.8 Ų105.877%0.7751%0.514SS*.G310 helixtrans-79.61.6-179.7-89.4101.6000115.8
232M32.5Very low65Low173 Ų173113.9 Ų113.985%0.85255%0.554SS**G310 helixtrans-110.822.1176.9-66.2-15817600113.4K230K230-M232 VanDerWaalsContact C-N 3.32Å; K230-M232 PolarHBondContact O-N 3.28Å
233K30.9Very low62.3Low184 Ų184119.3 Ų119.380%0.858%0.58SS**  trans-120.465.1168.2-77.5-173.3174.3-177.40109.4
234D32.1Very low59.3Low229 Ų229122.9 Ų122.9100%1.22560%0.599SS**  trans-124.50155.7-73.6-32.8000108

Retrieved 234 of 234 residues in 360.1 ms (Link to these results)

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