A0A087YRM6_POEFO Loading...

B1 bradykinin receptor

Receptor for bradykinin. It is associated with G proteins that activate a phosphatidylinositol-calcium second messenger system. This is a receptor for bradykinin. Could be a factor in chronic pain and inflammation.

AlphaFold DB , UniProt , Accession A0A087YRM6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 340 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
1T62.5Low77.8Confident138 Ų13874.5 Ų74.585%0.84740%0.396SS*.  0-47.1037.90000111.8T5T1-T5 PolarHBondContact O-OG1 3.05Å; T1-T5 VanDerWaalsContact O-OG1 3.11Å
2D66.9Low79.2Confident86 Ų8673.6 Ų73.646%0.4640%0.398SS..Hα-helixtrans-94.3-40176.6-56.7-29.5000113.8Q4 T5 I6D2-Q4 VanDerWaalsContact C-N 3.32Å; D2-Q4 PolarHBondContact O-N 3.28Å; D2-T5 WeakPolarHBondContact O-CB 3.3Å; D2-T5 PolarHBondContact O-N 3.18Å; D2-T5 VanDerWaalsContact O-N 3.13Å; D2-I6 PolarHBondContact O-N 3.31Å
3W67.9Low80.3Confident128 Ų12873.3 Ų73.349%0.48539%0.388SS..Hα-helixtrans-63.5-33.6176.4-64.6103.5000114T5 I6 H7W3-T5 VanDerWaalsContact C-N 3.33Å; W3-I6 HydrophobicContact CD2-CD1 4.42Å; W3-I6 HydrophobicContact CE3-CD1 3.95Å; W3-I6 HydrophobicContact CZ3-CD1 4.34Å; W3-I6 PolarHBondContact O-N 3.26Å; W3-H7 PolarHBondContact O-CD2 3.05Å; W3-H7 VanDerWaalsContact O-CD2 3.23Å; W3-H7 PolarHBondContact O-N 2.86Å
4Q72.8Confident81.4Confident137 Ų13768.1 Ų68.164%0.6436%0.36SS*.Hα-helixtrans-65.5-37.8173.8-79.2171.8-34.500111.7D2 H7 T8D2-Q4 VanDerWaalsContact C-N 3.32Å; D2-Q4 PolarHBondContact O-N 3.28Å; Q4-H7 PolarHBondContact O-N 3.37Å; Q4-T8 WeakPolarHBondContact O-CB 3.02Å; Q4-T8 WeakPolarHBondContact O-CG2 3.24Å; Q4-T8 PolarHBondContact O-N 3.05Å; Q4-T8 PolarHBondContact O-OG1 3.34Å
5T75.3Confident82.4Confident77 Ų7768.6 Ų68.647%0.47236%0.359SS..Hα-helixtrans-65.1-41.8174.1-51.20000110.6T1 D2 W3 T8 V9T1-T5 PolarHBondContact O-OG1 3.05Å; T1-T5 VanDerWaalsContact O-OG1 3.11Å; D2-T5 WeakPolarHBondContact O-CB 3.3Å; D2-T5 PolarHBondContact O-N 3.18Å; D2-T5 VanDerWaalsContact O-N 3.13Å; W3-T5 VanDerWaalsContact C-N 3.33Å; T5-T8 WeakPolarHBondContact CA-OG1 3.43Å; T5-T8 PolarHBondContact O-N 3.42Å; T5-T8 PolarHBondContact O-OG1 2.77Å; T5-V9 HydrophobicContact CG2-CG2 4Å; T5-V9 VanDerWaalsContact O-CB 3.29Å; T5-V9 WeakPolarHBondContact O-CB 3.46Å; T5-V9 WeakPolarHBondContact O-CG2 3.19Å; T5-V9 PolarHBondContact O-N 3.36Å
6I74.1Confident83.3Confident20 Ų2070.7 Ų70.710%0.10337%0.369CS..Hα-helixtrans-59.4-49.3174.4-70.7158.6000110.8D2 W3 T8 I10 L261D2-I6 PolarHBondContact O-N 3.31Å; W3-I6 HydrophobicContact CD2-CD1 4.42Å; W3-I6 HydrophobicContact CE3-CD1 3.95Å; W3-I6 HydrophobicContact CZ3-CD1 4.34Å; W3-I6 PolarHBondContact O-N 3.26Å; I6-T8 VanDerWaalsContact C-N 3.29Å; I6-T8 PolarHBondContact O-N 3.34Å; I6-I10 HydrophobicContact CB-CG1 4.4Å; I6-I10 HydrophobicContact CG2-CG1 3.97Å; I6-I10 WeakPolarHBondContact O-CB 3.14Å; I6-I10 VanDerWaalsContact O-CG1 3.3Å; I6-I10 WeakPolarHBondContact O-CG1 3.33Å; I6-I10 PolarHBondContact O-N 3.42Å; I6-L261 HydrophobicContact CD1-CD2 4.3Å
7H78.6Confident84Confident33 Ų3366.7 Ų66.715%0.15335%0.348CS..Hα-helixtrans-62.1-32.7179.2-86.5-73.2000114.2W3 Q4 P11 I67 F71W3-H7 PolarHBondContact O-CD2 3.05Å; W3-H7 VanDerWaalsContact O-CD2 3.23Å; W3-H7 PolarHBondContact O-N 2.86Å; Q4-H7 PolarHBondContact O-N 3.37Å; H7-P11 WeakPolarHBondContact O-CD 3.19Å; H7-P11 WeakPolarHBondContact O-CG 3.46Å; H7-I67 PolarHBondContact CE1-O 2.85Å; H7-I67 PolarHBondContact ND1-O 3.05Å; H7-F71 AromaticContact CE1-CD2 3.8Å; H7-F71 AromaticContact CE1-CE2 3.38Å; H7-F71 WeakPolarHBondContact CE1-CE2 3.44Å; H7-F71 AromaticContact CE1-CZ 3.97Å; H7-F71 AromaticContact NE2-CD2 3.82Å; H7-F71 AromaticContact NE2-CE2 3.14Å; H7-F71 WeakPolarHBondContact NE2-CE2 3.27Å; H7-F71 AromaticContact NE2-CZ 3.9Å
8T84.5Confident84.7Confident94 Ų9463.3 Ų63.358%0.57733%0.331SS*.Hα-helixtrans-88.7-35.9-175.548.60000112.7Q4 T5 I6 P12Q4-T8 WeakPolarHBondContact O-CB 3.02Å; Q4-T8 WeakPolarHBondContact O-CG2 3.24Å; Q4-T8 PolarHBondContact O-N 3.05Å; Q4-T8 PolarHBondContact O-OG1 3.34Å; T5-T8 WeakPolarHBondContact CA-OG1 3.43Å; T5-T8 PolarHBondContact O-N 3.42Å; T5-T8 PolarHBondContact O-OG1 2.77Å; I6-T8 VanDerWaalsContact C-N 3.29Å; I6-T8 PolarHBondContact O-N 3.34Å; T8-P12 WeakPolarHBondContact O-CD 3.26Å; T8-P12 WeakPolarHBondContact O-CG 3.46Å
9V89.4Confident85.4Confident81 Ų8165.6 Ų65.649%0.49134%0.343SS..Hα-helixtrans-93.7-40.5-173178.20000112.4T5 P12 Y13T5-V9 HydrophobicContact CG2-CG2 4Å; T5-V9 VanDerWaalsContact O-CB 3.29Å; T5-V9 WeakPolarHBondContact O-CB 3.46Å; T5-V9 WeakPolarHBondContact O-CG2 3.19Å; T5-V9 PolarHBondContact O-N 3.36Å; V9-P12 WeakPolarHBondContact O-CD 3.43Å; V9-Y13 WeakPolarHBondContact O-CB 3.48Å; V9-Y13 PolarHBondContact O-N 3.15Å
10I90.4Very high85.9Confident25 Ų2566.3 Ų66.313%0.12835%0.347CS..Hα-helixtrans-69.7-44.9-170.4-61.1-55.9000113.1I6 Y13 I14 I67 Y268I6-I10 HydrophobicContact CB-CG1 4.4Å; I6-I10 HydrophobicContact CG2-CG1 3.97Å; I6-I10 WeakPolarHBondContact O-CB 3.14Å; I6-I10 VanDerWaalsContact O-CG1 3.3Å; I6-I10 WeakPolarHBondContact O-CG1 3.33Å; I6-I10 PolarHBondContact O-N 3.42Å; I10-Y13 WeakPolarHBondContact O-CB 3.22Å; I10-Y13 PolarHBondContact O-N 3.23Å; I10-I14 HydrophobicContact CG2-CD1 3.57Å; I10-I14 HydrophobicContact CG2-CG1 3.98Å; I10-I14 WeakPolarHBondContact O-CG1 3.35Å; I10-I14 PolarHBondContact O-N 3.07Å; I10-I67 HydrophobicContact CB-CD1 4.4Å; I10-I67 HydrophobicContact CG2-CD1 3.61Å; I10-Y268 HydrophobicContact CB-CE2 4.33Å; I10-Y268 HydrophobicContact CD1-CD2 3.57Å; I10-Y268 HydrophobicContact CD1-CE2 3.95Å; I10-Y268 HydrophobicContact CD1-CG 4.24Å; I10-Y268 HydrophobicContact CG1-CD2 4.02Å; I10-Y268 HydrophobicContact CG1-CE2 3.85Å; I10-Y268 HydrophobicContact CG2-CD1 3.93Å; I10-Y268 HydrophobicContact CG2-CD2 3.89Å; I10-Y268 HydrophobicContact CG2-CE1 3.61Å; I10-Y268 HydrophobicContact CG2-CE2 3.57Å; I10-Y268 HydrophobicContact CG2-CG 4.09Å; I10-Y268 VanDerWaalsContact CG2-CZ 3.44Å
11P93.1Very high86.4Confident0 Ų063.1 Ų63.10%033%0.33CS..Hα-helixtrans-62.4-47.3-178.8-20.431.5000113.6H7 Y13 I14 F15 A64 I67 L68H7-P11 WeakPolarHBondContact O-CD 3.19Å; H7-P11 WeakPolarHBondContact O-CG 3.46Å; P11-Y13 VanDerWaalsContact C-N 3.29Å; P11-Y13 PolarHBondContact O-N 3.32Å; P11-I14 PolarHBondContact O-N 2.83Å; P11-F15 HydrophobicContact CB-CE2 4.49Å; P11-F15 WeakPolarHBondContact O-CD2 3.18Å; P11-F15 PolarHBondContact O-N 3.45Å; P11-A64 HydrophobicContact CB-CB 4.16Å; P11-I67 HydrophobicContact CG-CB 4Å; P11-I67 HydrophobicContact CG-CG2 3.65Å; P11-L68 HydrophobicContact CB-CD1 4.05Å; P11-L68 HydrophobicContact CB-CD2 3.83Å; P11-L68 HydrophobicContact CB-CG 3.66Å; P11-L68 HydrophobicContact CG-CD2 3.79Å; P11-L68 HydrophobicContact CG-CG 3.85Å
12P94.6Very high88Confident64 Ų6458.6 Ų58.642%0.41630%0.3SS..Hα-helixtrans-57.4-41.7172.8-25.335.1000112.7T8 V9 F15 I16T8-P12 WeakPolarHBondContact O-CD 3.26Å; T8-P12 WeakPolarHBondContact O-CG 3.46Å; V9-P12 WeakPolarHBondContact O-CD 3.43Å; P12-F15 PolarHBondContact O-N 3.42Å; P12-I16 VanDerWaalsContact O-CG1 3.26Å; P12-I16 WeakPolarHBondContact O-CG1 3.28Å; P12-I16 PolarHBondContact O-N 3.18Å
13Y94.1Very high89.4Confident70 Ų7059.8 Ų59.828%0.27531%0.306SS..Hα-helixtrans-57.9-49.1175167.7-97.4000111.9V9 I10 P11 F15 I16 L17 Y268V9-Y13 WeakPolarHBondContact O-CB 3.48Å; V9-Y13 PolarHBondContact O-N 3.15Å; I10-Y13 WeakPolarHBondContact O-CB 3.22Å; I10-Y13 PolarHBondContact O-N 3.23Å; P11-Y13 VanDerWaalsContact C-N 3.29Å; P11-Y13 PolarHBondContact O-N 3.32Å; Y13-F15 PolarHBondContact O-N 3Å; Y13-I16 PolarHBondContact O-N 2.86Å; Y13-L17 HydrophobicContact CE1-CD1 3.75Å; Y13-L17 HydrophobicContact CE2-CD1 4.37Å; Y13-L17 VanDerWaalsContact O-CB 3.25Å; Y13-L17 WeakPolarHBondContact O-CB 3.29Å; Y13-L17 PolarHBondContact O-N 3.17Å; Y13-L17 WeakPolarHBondContact OH-CD1 3.31Å; Y13-Y268 PolarHBondContact OH-O 3.34Å; Y13-Y268 VanDerWaalsContact OH-O 3.14Å
14I95.3Very high90.6Very high0 Ų055.9 Ų55.90%029%0.294CS..Hα-helixtrans-63-41.7178.8-68.4175.5000111.2I10 P11 L17 S18 L60 W63 A64 I67 Y268I10-I14 HydrophobicContact CG2-CD1 3.57Å; I10-I14 HydrophobicContact CG2-CG1 3.98Å; I10-I14 WeakPolarHBondContact O-CG1 3.35Å; I10-I14 PolarHBondContact O-N 3.07Å; P11-I14 PolarHBondContact O-N 2.83Å; I14-L17 PolarHBondContact O-N 3.46Å; I14-S18 VanDerWaalsContact O-CB 3.29Å; I14-S18 WeakPolarHBondContact O-CB 3.5Å; I14-S18 PolarHBondContact O-N 3.23Å; I14-L60 HydrophobicContact CG2-CB 3.75Å; I14-L60 VanDerWaalsContact CG2-O 3.32Å; I14-L60 WeakPolarHBondContact CG2-O 3.43Å; I14-W63 HydrophobicContact CD1-CB 4.48Å; I14-A64 HydrophobicContact CB-CB 3.99Å; I14-A64 HydrophobicContact CG2-CB 3.84Å; I14-I67 HydrophobicContact CD1-CD1 3.99Å; I14-Y268 HydrophobicContact CD1-CD1 4.01Å; I14-Y268 HydrophobicContact CD1-CE1 3.73Å; I14-Y268 HydrophobicContact CG1-CD1 4.35Å
15F96.8Very high91.7Very high76 Ų7649.3 Ų49.333%0.33326%0.264SS..Hα-helixtrans-63.8-43.8177.4-76.7-56.4000112.4P11 P12 Y13 S18 L19 P61 A64 M65 L68P11-F15 HydrophobicContact CB-CE2 4.49Å; P11-F15 WeakPolarHBondContact O-CD2 3.18Å; P11-F15 PolarHBondContact O-N 3.45Å; P12-F15 PolarHBondContact O-N 3.42Å; Y13-F15 PolarHBondContact O-N 3Å; F15-S18 PolarHBondContact O-N 2.8Å; F15-L19 VanDerWaalsContact O-CB 3.32Å; F15-L19 WeakPolarHBondContact O-CB 3.46Å; F15-L19 PolarHBondContact O-N 3.47Å; F15-P61 HydrophobicContact CD1-CB 4.45Å; F15-P61 HydrophobicContact CE1-CB 4.04Å; F15-A64 HydrophobicContact CD1-CB 4.25Å; F15-A64 HydrophobicContact CD2-CB 4.02Å; F15-A64 HydrophobicContact CE1-CB 3.92Å; F15-A64 HydrophobicContact CE2-CB 3.67Å; F15-A64 HydrophobicContact CG-CB 4.29Å; F15-A64 HydrophobicContact CZ-CB 3.61Å; F15-M65 HydrophobicContact CZ-CG 4.17Å; F15-M65 HydrophobicContact CZ-SD 3.97Å; F15-L68 HydrophobicContact CE2-CD1 3.91Å; F15-L68 HydrophobicContact CZ-CD1 4.45Å
16I96.1Very high92.6Very high102 Ų10246.8 Ų46.852%0.52325%0.253SS..Hα-helixtrans-62.2-46.2176.3-69.5165.5000110.2P12 Y13 L19 L20P12-I16 VanDerWaalsContact O-CG1 3.26Å; P12-I16 WeakPolarHBondContact O-CG1 3.28Å; P12-I16 PolarHBondContact O-N 3.18Å; Y13-I16 PolarHBondContact O-N 2.86Å; I16-L19 PolarHBondContact O-N 3.13Å; I16-L20 HydrophobicContact CG2-CD1 3.75Å; I16-L20 HydrophobicContact CG2-CG 4.29Å; I16-L20 WeakPolarHBondContact O-CB 3.28Å; I16-L20 WeakPolarHBondContact O-CG 3.37Å; I16-L20 PolarHBondContact O-N 3.34Å
17L95.6Very high93.5Very high3 Ų350.4 Ų50.42%0.01627%0.268CS..Hα-helixtrans-60.5-47.3178.9-171.8160000110.9Y13 I14 G21 L57 L60 F271 L272 L275Y13-L17 HydrophobicContact CE1-CD1 3.75Å; Y13-L17 HydrophobicContact CE2-CD1 4.37Å; Y13-L17 VanDerWaalsContact O-CB 3.25Å; Y13-L17 WeakPolarHBondContact O-CB 3.29Å; Y13-L17 PolarHBondContact O-N 3.17Å; Y13-L17 WeakPolarHBondContact OH-CD1 3.31Å; I14-L17 PolarHBondContact O-N 3.46Å; L17-G21 WeakPolarHBondContact O-CA 3.4Å; L17-G21 PolarHBondContact O-N 3.33Å; L17-L57 HydrophobicContact CD2-CD2 3.31Å; L17-L60 HydrophobicContact CD2-CD1 3.56Å; L17-F271 HydrophobicContact CD1-CB 4.02Å; L17-F271 HydrophobicContact CD2-CB 4.32Å; L17-L272 HydrophobicContact CD1-CB 4.46Å; L17-L272 HydrophobicContact CD1-CD1 4.32Å; L17-L275 HydrophobicContact CG-CB 4.25Å; L17-L275 HydrophobicContact CG-CD2 4.43Å
18S96.8Very high94Very high5 Ų548.9 Ų48.94%0.03526%0.261CS..Hα-helixtrans-60.8-50.8176.4178.70000111.3I14 F15 G21 L22 L57 P61I14-S18 VanDerWaalsContact O-CB 3.29Å; I14-S18 WeakPolarHBondContact O-CB 3.5Å; I14-S18 PolarHBondContact O-N 3.23Å; F15-S18 PolarHBondContact O-N 2.8Å; S18-G21 PolarHBondContact O-N 3.48Å; S18-L22 VanDerWaalsContact O-CB 3.29Å; S18-L22 WeakPolarHBondContact O-CB 3.36Å; S18-L22 WeakPolarHBondContact O-CG 3.37Å; S18-L22 PolarHBondContact O-N 2.93Å; S18-L57 PolarHBondContact OG-O 2.98Å; S18-P61 WeakPolarHBondContact OG-CD 3.48Å; S18-P61 WeakPolarHBondContact OG-CG 3.44Å
19L97.3Very high94.4Very high108 Ų10846.6 Ų46.657%0.56525%0.245SC*.Hα-helixtrans-60.5-54.8-178.6177.662.6000112.1F15 I16 G21 L22 L23F15-L19 VanDerWaalsContact O-CB 3.32Å; F15-L19 WeakPolarHBondContact O-CB 3.46Å; F15-L19 PolarHBondContact O-N 3.47Å; I16-L19 PolarHBondContact O-N 3.13Å; L19-G21 VanDerWaalsContact C-N 3.33Å; L19-G21 PolarHBondContact O-N 2.96Å; L19-L22 PolarHBondContact O-N 3.4Å; L19-L23 HydrophobicContact CD1-CD1 4.26Å; L19-L23 HydrophobicContact CG-CD1 4.34Å; L19-L23 VanDerWaalsContact O-CG 3.29Å; L19-L23 WeakPolarHBondContact O-CG 3.12Å; L19-L23 PolarHBondContact O-N 2.95Å; L19-L23 VanDerWaalsContact O-N 3.11Å
20L96.4Very high94.5Very high79 Ų7945.3 Ų45.341%0.41424%0.243SC..Hα-helixtrans-64.6-41.2-179.1-66.7179.4000111.1I16 L23 L24 L275I16-L20 HydrophobicContact CG2-CD1 3.75Å; I16-L20 HydrophobicContact CG2-CG 4.29Å; I16-L20 WeakPolarHBondContact O-CB 3.28Å; I16-L20 WeakPolarHBondContact O-CG 3.37Å; I16-L20 PolarHBondContact O-N 3.34Å; L20-L23 PolarHBondContact O-N 3.4Å; L20-L24 WeakPolarHBondContact O-CB 3.21Å; L20-L24 VanDerWaalsContact O-CG 3.25Å; L20-L24 WeakPolarHBondContact O-CG 3.32Å; L20-L24 PolarHBondContact O-N 3.17Å; L20-L275 HydrophobicContact CB-CD1 3.55Å
21G95.6Very high94.3Very high0 Ų044.4 Ų44.40%024%0.239CC..Hα-helixtrans-62.9-44.1179.200000111.9L17 S18 L19 L24 N25L17-G21 WeakPolarHBondContact O-CA 3.4Å; L17-G21 PolarHBondContact O-N 3.33Å; S18-G21 PolarHBondContact O-N 3.48Å; L19-G21 VanDerWaalsContact C-N 3.33Å; L19-G21 PolarHBondContact O-N 2.96Å; G21-L24 PolarHBondContact O-N 3.06Å; G21-N25 VanDerWaalsContact O-CB 3.28Å; G21-N25 WeakPolarHBondContact O-CB 3.41Å; G21-N25 PolarHBondContact O-N 3.37Å; G21-N25 PolarHBondContact O-ND2 2.84Å
22L97.2Very high93.9Very high43 Ų4344.9 Ų44.923%0.22524%0.241CC..Hα-helixtrans-64-42.1178.1-73.5170.6000111.3S18 L19 G26 F54 L57 C58S18-L22 VanDerWaalsContact O-CB 3.29Å; S18-L22 WeakPolarHBondContact O-CB 3.36Å; S18-L22 WeakPolarHBondContact O-CG 3.37Å; S18-L22 PolarHBondContact O-N 2.93Å; L19-L22 PolarHBondContact O-N 3.4Å; L22-G26 WeakPolarHBondContact O-CA 3.39Å; L22-G26 PolarHBondContact O-N 2.86Å; L22-F54 HydrophobicContact CB-CE2 4.3Å; L22-F54 HydrophobicContact CD2-CD1 4.3Å; L22-F54 HydrophobicContact CD2-CD2 3.65Å; L22-F54 HydrophobicContact CD2-CE1 4.2Å; L22-F54 HydrophobicContact CD2-CE2 3.55Å; L22-F54 HydrophobicContact CD2-CG 4.04Å; L22-F54 HydrophobicContact CD2-CZ 3.84Å; L22-L57 HydrophobicContact CD2-CB 3.81Å; L22-L57 HydrophobicContact CG-CB 3.92Å; L22-C58 VanDerWaalsContact CD2-SG 3.52Å
23L95.8Very high93.5Very high110 Ų11046 Ų4658%0.57626%0.255SS*.Hα-helixtrans-62.3-47.8176.1-69.7173.2000111.5L19 L20 F27L19-L23 HydrophobicContact CD1-CD1 4.26Å; L19-L23 HydrophobicContact CG-CD1 4.34Å; L19-L23 VanDerWaalsContact O-CG 3.29Å; L19-L23 WeakPolarHBondContact O-CG 3.12Å; L19-L23 PolarHBondContact O-N 2.95Å; L19-L23 VanDerWaalsContact O-N 3.11Å; L20-L23 PolarHBondContact O-N 3.4Å; L23-F27 WeakPolarHBondContact O-CB 3.32Å; L23-F27 PolarHBondContact O-N 3.38Å
24L94Very high92.9Very high46 Ų4645.5 Ų45.524%0.24127%0.265CS..Hα-helixtrans-70.6-48.6-176.9-69.8169.4000112.5L20 G21 F27 V28 L275 P278 L279L20-L24 WeakPolarHBondContact O-CB 3.21Å; L20-L24 VanDerWaalsContact O-CG 3.25Å; L20-L24 WeakPolarHBondContact O-CG 3.32Å; L20-L24 PolarHBondContact O-N 3.17Å; G21-L24 PolarHBondContact O-N 3.06Å; L24-F27 WeakPolarHBondContact O-CB 3.43Å; L24-F27 PolarHBondContact O-N 3.06Å; L24-V28 WeakPolarHBondContact O-CG2 3.47Å; L24-V28 PolarHBondContact O-N 3.3Å; L24-L275 HydrophobicContact CD1-CD1 3.78Å; L24-P278 HydrophobicContact CB-CB 3.8Å; L24-P278 HydrophobicContact CB-CG 4.05Å; L24-L279 HydrophobicContact CD1-CD2 3.71Å; L24-L279 HydrophobicContact CD1-CG 4.03Å; L24-L279 HydrophobicContact CD2-CD2 4.18Å
25N94.8Very high92.1Very high0 Ų046.5 Ų46.50%027%0.27CS..Hα-helixtrans-67.4-40177.9-74.2-71.6000111.4G21 F27 V28 L29 A50 F54 L57 S274 P278G21-N25 VanDerWaalsContact O-CB 3.28Å; G21-N25 WeakPolarHBondContact O-CB 3.41Å; G21-N25 PolarHBondContact O-N 3.37Å; G21-N25 PolarHBondContact O-ND2 2.84Å; N25-F27 VanDerWaalsContact C-N 3.31Å; N25-F27 PolarHBondContact O-N 3.43Å; N25-V28 PolarHBondContact O-N 3.34Å; N25-L29 WeakPolarHBondContact O-CG 3.28Å; N25-L29 PolarHBondContact O-N 3.22Å; N25-A50 WeakPolarHBondContact OD1-CA 3.47Å; N25-F54 HydrophobicContact CB-CB 4.17Å; N25-F54 HydrophobicContact CB-CD2 4.37Å; N25-L57 WeakPolarHBondContact ND2-CD1 3.29Å; N25-S274 PolarHBondContact ND2-O 3.25Å; N25-P278 HydrophobicContact CB-CG 4.44Å; N25-P278 VanDerWaalsContact CG-CG 3.47Å; N25-P278 WeakPolarHBondContact OD1-CG 3.36Å
26G95Very high90.5Very high23 Ų2352.8 Ų52.824%0.23729%0.291CS..Hα-helixtrans-60.4-40.8173.400000112.2L22 L29 A30L22-G26 WeakPolarHBondContact O-CA 3.39Å; L22-G26 PolarHBondContact O-N 2.86Å; G26-L29 PolarHBondContact O-N 3.47Å; G26-A30 VanDerWaalsContact O-CB 3.3Å; G26-A30 WeakPolarHBondContact O-CB 3.49Å; G26-A30 PolarHBondContact O-N 2.8Å
27F91.8Very high89.6Confident97 Ų9751.8 Ų51.843%0.42529%0.287SS..Hα-helixtrans-62.2-45.9173.5176.1-107.5000112.4L23 L24 N25 L29 A30 V31 F288 L292L23-F27 WeakPolarHBondContact O-CB 3.32Å; L23-F27 PolarHBondContact O-N 3.38Å; L24-F27 WeakPolarHBondContact O-CB 3.43Å; L24-F27 PolarHBondContact O-N 3.06Å; N25-F27 VanDerWaalsContact C-N 3.31Å; N25-F27 PolarHBondContact O-N 3.43Å; F27-L29 VanDerWaalsContact C-N 3.35Å; F27-L29 PolarHBondContact O-N 3.03Å; F27-A30 PolarHBondContact O-N 3.42Å; F27-V31 HydrophobicContact CD1-CG2 4.36Å; F27-V31 HydrophobicContact CD2-CG2 4.17Å; F27-V31 HydrophobicContact CE1-CG2 4.07Å; F27-V31 HydrophobicContact CE2-CG2 3.85Å; F27-V31 HydrophobicContact CG-CG2 4.43Å; F27-V31 HydrophobicContact CZ-CG2 3.82Å; F27-V31 WeakPolarHBondContact O-CG2 3.36Å; F27-V31 PolarHBondContact O-N 2.99Å; F27-F288 HydrophobicContact CD1-CE1 4.44Å; F27-F288 HydrophobicContact CD1-CZ 4.09Å; F27-F288 AromaticContact CE1-CE1 3.84Å; F27-F288 HydrophobicContact CE1-CE1 3.84Å; F27-F288 AromaticContact CE1-CZ 3.78Å; F27-F288 HydrophobicContact CE1-CZ 3.78Å; F27-L292 HydrophobicContact CE1-CD1 4.21Å; F27-L292 HydrophobicContact CE1-CD2 3.74Å; F27-L292 HydrophobicContact CE2-CD2 4.34Å; F27-L292 HydrophobicContact CZ-CD1 4.23Å; F27-L292 HydrophobicContact CZ-CD2 3.38Å; F27-L292 HydrophobicContact CZ-CG 4.45Å
28V90.1Very high88.9Confident1 Ų162.7 Ų62.71%0.00633%0.328CS..Hα-helixtrans-57.5-48.1176.1171.30000110.9L24 N25 A30 V31 F32 A50 P278 F288L24-V28 WeakPolarHBondContact O-CG2 3.47Å; L24-V28 PolarHBondContact O-N 3.3Å; N25-V28 PolarHBondContact O-N 3.34Å; V28-A30 PolarHBondContact O-N 2.97Å; V28-V31 PolarHBondContact O-N 3.31Å; V28-F32 HydrophobicContact CG1-CD2 3.75Å; V28-F32 HydrophobicContact CG1-CE2 3.42Å; V28-F32 VanDerWaalsContact CG1-CE2 3.42Å; V28-F32 HydrophobicContact CG1-CZ 4.41Å; V28-F32 VanDerWaalsContact O-CD2 3.25Å; V28-F32 WeakPolarHBondContact O-CD2 3.48Å; V28-F32 PolarHBondContact O-N 3.19Å; V28-F32 VanDerWaalsContact O-N 3.14Å; V28-A50 HydrophobicContact CB-CB 4.24Å; V28-A50 HydrophobicContact CG1-CB 3.84Å; V28-P278 HydrophobicContact CG2-CB 4.1Å; V28-F288 HydrophobicContact CG1-CE2 4.47Å; V28-F288 HydrophobicContact CG2-CE2 4.28Å; V28-F288 HydrophobicContact CG2-CZ 4.08Å
29L92.5Very high88.3Confident45 Ų4564.7 Ų64.724%0.23634%0.338CS..Hα-helixtrans-61.6-44.1177.4-68.8171.5000112N25 G26 F27 V31 F32 A33 S47 A50 L51 F54N25-L29 WeakPolarHBondContact O-CG 3.28Å; N25-L29 PolarHBondContact O-N 3.22Å; G26-L29 PolarHBondContact O-N 3.47Å; F27-L29 VanDerWaalsContact C-N 3.35Å; F27-L29 PolarHBondContact O-N 3.03Å; L29-V31 PolarHBondContact O-N 2.96Å; L29-F32 PolarHBondContact O-N 3.47Å; L29-A33 VanDerWaalsContact O-CB 3.29Å; L29-A33 WeakPolarHBondContact O-CB 3.18Å; L29-A33 PolarHBondContact O-N 2.87Å; L29-S47 WeakPolarHBondContact CD2-O 3.4Å; L29-A50 HydrophobicContact CD2-CB 4.02Å; L29-A50 HydrophobicContact CG-CB 4.05Å; L29-L51 HydrophobicContact CD1-CD1 4.49Å; L29-L51 HydrophobicContact CD2-CB 4.21Å; L29-F54 HydrophobicContact CD1-CB 4.24Å; L29-F54 HydrophobicContact CD1-CG 4.4Å
30A90.6Very high87.7Confident54 Ų5462.2 Ų62.245%0.44633%0.328SS..Hα-helixtrans-62.8-40.9178.700000112.3G26 F27 V28 A33 A34G26-A30 VanDerWaalsContact O-CB 3.3Å; G26-A30 WeakPolarHBondContact O-CB 3.49Å; G26-A30 PolarHBondContact O-N 2.8Å; F27-A30 PolarHBondContact O-N 3.42Å; V28-A30 PolarHBondContact O-N 2.97Å; A30-A33 PolarHBondContact O-N 3.23Å; A30-A34 VanDerWaalsContact O-CB 3.22Å; A30-A34 WeakPolarHBondContact O-CB 3.38Å; A30-A34 PolarHBondContact O-N 3.13Å
31V86.9Confident87.2Confident7 Ų759.1 Ų59.14%0.04231%0.312CS..Hα-helixtrans-62.9-45.6177.6168.30000110.9F27 V28 L29 H35 F288 L292F27-V31 HydrophobicContact CD1-CG2 4.36Å; F27-V31 HydrophobicContact CD2-CG2 4.17Å; F27-V31 HydrophobicContact CE1-CG2 4.07Å; F27-V31 HydrophobicContact CE2-CG2 3.85Å; F27-V31 HydrophobicContact CG-CG2 4.43Å; F27-V31 HydrophobicContact CZ-CG2 3.82Å; F27-V31 WeakPolarHBondContact O-CG2 3.36Å; F27-V31 PolarHBondContact O-N 2.99Å; V28-V31 PolarHBondContact O-N 3.31Å; L29-V31 PolarHBondContact O-N 2.96Å; V31-H35 WeakPolarHBondContact O-CB 3.48Å; V31-H35 PolarHBondContact O-N 3.47Å; V31-H35 VanDerWaalsContact O-N 3.15Å; V31-F288 HydrophobicContact CB-CE2 4.15Å; V31-F288 HydrophobicContact CB-CZ 4.32Å; V31-F288 HydrophobicContact CG1-CE2 3.84Å; V31-F288 HydrophobicContact CG1-CZ 4.24Å; V31-F288 HydrophobicContact CG2-CZ 4.21Å; V31-L292 HydrophobicContact CB-CD2 4.17Å; V31-L292 HydrophobicContact CG1-CD2 3.74Å; V31-L292 HydrophobicContact CG2-CD2 3.33Å
32F85.2Confident86.5Confident10 Ų1061 Ų614%0.04433%0.328CS..Hα-helixtrans-70.7-34.3178.5-67.3-44.6000112.7V28 L29 H35 L39 E43 L46 S47 F288V28-F32 HydrophobicContact CG1-CD2 3.75Å; V28-F32 HydrophobicContact CG1-CE2 3.42Å; V28-F32 VanDerWaalsContact CG1-CE2 3.42Å; V28-F32 HydrophobicContact CG1-CZ 4.41Å; V28-F32 VanDerWaalsContact O-CD2 3.25Å; V28-F32 WeakPolarHBondContact O-CD2 3.48Å; V28-F32 PolarHBondContact O-N 3.19Å; V28-F32 VanDerWaalsContact O-N 3.14Å; L29-F32 PolarHBondContact O-N 3.47Å; F32-H35 PolarHBondContact O-N 3.25Å; F32-L39 HydrophobicContact CB-CD1 4.43Å; F32-L39 HydrophobicContact CB-CD2 4.05Å; F32-L39 HydrophobicContact CD1-CD2 3.85Å; F32-L39 HydrophobicContact CG-CD2 4.24Å; F32-E43 HydrophobicContact CD1-CB 4.49Å; F32-E43 HydrophobicContact CE1-CB 4.11Å; F32-E43 HydrophobicContact CE1-CG 3.84Å; F32-E43 WeakPolarHBondContact CE1-OE1 3.38Å; F32-E43 HydrophobicContact CZ-CB 4.34Å; F32-E43 HydrophobicContact CZ-CG 4.24Å; F32-L46 HydrophobicContact CE2-CB 4.15Å; F32-L46 HydrophobicContact CZ-CB 4.4Å; F32-S47 WeakPolarHBondContact CD2-OG 3.5Å; F32-F288 HydrophobicContact CE1-CD2 4.25Å; F32-F288 HydrophobicContact CZ-CD2 4.01Å; F32-F288 HydrophobicContact CZ-CE2 4.25Å
33A85.9Confident86Confident87 Ų8759 Ų5972%0.71932%0.317SS*.Hα-helixtrans-69-38.4174.300000112.8L29 A30 H35L29-A33 VanDerWaalsContact O-CB 3.29Å; L29-A33 WeakPolarHBondContact O-CB 3.18Å; L29-A33 PolarHBondContact O-N 2.87Å; A30-A33 PolarHBondContact O-N 3.23Å; A33-H35 VanDerWaalsContact C-N 3.28Å; A33-H35 PolarHBondContact O-N 3.36Å
34A82.1Confident85.7Confident59 Ų5954.5 Ų54.549%0.48829%0.293SS..Hα-helixtrans-74.8-18.4178.200000113.1A30 R36 V295A30-A34 VanDerWaalsContact O-CB 3.22Å; A30-A34 WeakPolarHBondContact O-CB 3.38Å; A30-A34 PolarHBondContact O-N 3.13Å; A34-R36 PolarHBondContact O-N 2.89Å; A34-V295 HydrophobicContact CB-CG1 4.35Å
35H78.3Confident85.5Confident22 Ų2252.9 Ų52.910%0.10228%0.284CS..  trans-73.9106.2179-160.9-81.2000110.7V31 F32 A33 D37 K291V31-H35 WeakPolarHBondContact O-CB 3.48Å; V31-H35 PolarHBondContact O-N 3.47Å; V31-H35 VanDerWaalsContact O-N 3.15Å; F32-H35 PolarHBondContact O-N 3.25Å; A33-H35 VanDerWaalsContact C-N 3.28Å; A33-H35 PolarHBondContact O-N 3.36Å; H35-D37 VanDerWaalsContact C-N 3.28Å; H35-D37 IonicContact CE1-OD2 2.76Å; H35-D37 PolarHBondContact CE1-OD2 2.88Å; H35-D37 VanDerWaalsContact CE1-OD2 3.23Å; H35-D37 PolarHBondContact ND1-N 3.49Å; H35-D37 PolarHBondContact ND1-O 3.23Å; H35-D37 IonicContact ND1-OD2 3.66Å; H35-D37 IonicContact NE2-OD2 2.57Å; H35-D37 PolarHBondContact O-N 3.08Å; H35-K291 PolarHBondContact CE1-NZ 3.49Å; H35-K291 PolarHBondContact ND1-NZ 3.18Å; H35-K291 WeakPolarHBondContact NE2-CE 3.09Å
36R63.5Low85.2Confident207 Ų20754.1 Ų54.178%0.78129%0.291SS*.  trans-68.7-20.4-176.3-70.1-163.3176.4176.8-1.9115.2A34A34-R36 PolarHBondContact O-N 2.89Å
37D77.4Confident85Confident82 Ų8254 Ų5444%0.43929%0.286SS..SBendtrans-84.8154.5179-42.9-52.9000110.8H35 L39 R298H35-D37 VanDerWaalsContact C-N 3.28Å; H35-D37 IonicContact CE1-OD2 2.76Å; H35-D37 PolarHBondContact CE1-OD2 2.88Å; H35-D37 VanDerWaalsContact CE1-OD2 3.23Å; H35-D37 PolarHBondContact ND1-N 3.49Å; H35-D37 PolarHBondContact ND1-O 3.23Å; H35-D37 IonicContact ND1-OD2 3.66Å; H35-D37 IonicContact NE2-OD2 2.57Å; H35-D37 PolarHBondContact O-N 3.08Å; D37-L39 PolarHBondContact O-N 3.42Å; D37-R298 IonicContact OD2-CZ 2.9Å; D37-R298 IonicContact OD2-NH1 2.87Å; D37-R298 IonicContact OD2-NH2 2.7Å; D37-R298 PolarHBondContact OD2-NH2 2.97Å
38R79.8Confident85.2Confident232 Ų23250 Ų5088%0.87527%0.269SS*.PPolyproline II helixtrans-55.7129.9-178.8-65.9-174.7178.3-178.50.1111.3
39L83.8Confident85.3Confident46 Ų4650 Ų5024%0.24127%0.269CS..PPolyproline II helixtrans-64.2142.7171.8-62.6174.4000110.6F32 D37 E43 I44 T121F32-L39 HydrophobicContact CB-CD1 4.43Å; F32-L39 HydrophobicContact CB-CD2 4.05Å; F32-L39 HydrophobicContact CD1-CD2 3.85Å; F32-L39 HydrophobicContact CG-CD2 4.24Å; D37-L39 PolarHBondContact O-N 3.42Å; L39-E43 WeakPolarHBondContact CA-OE2 3.24Å; L39-E43 HydrophobicContact CB-CB 4.15Å; L39-E43 HydrophobicContact CD2-CB 4.15Å; L39-I44 HydrophobicContact CB-CD1 4.49Å; L39-I44 HydrophobicContact CB-CG1 3.91Å; L39-I44 HydrophobicContact CD1-CG1 4.43Å; L39-T121 WeakPolarHBondContact O-CG2 3.29Å
40T84.5Confident85.4Confident57 Ų5747.8 Ų47.835%0.3526%0.258SS..PPolyproline II helixtrans-76.1165.3169.664.10000110.7A42 E43 I44 Y287T40-A42 VanDerWaalsContact C-N 3.32Å; T40-A42 PolarHBondContact O-N 3.44Å; T40-E43 PolarHBondContact N-OE2 2.91Å; T40-E43 PolarHBondContact O-N 3.34Å; T40-E43 VanDerWaalsContact OG1-CG 3.24Å; T40-E43 WeakPolarHBondContact OG1-CG 3.2Å; T40-E43 PolarHBondContact OG1-OE2 3.45Å; T40-E43 VanDerWaalsContact OG1-OE2 3.05Å; T40-I44 WeakPolarHBondContact O-CG1 3.45Å; T40-I44 PolarHBondContact O-N 2.92Å; T40-Y287 VanDerWaalsContact CG2-OH 3.24Å; T40-Y287 WeakPolarHBondContact CG2-OH 3.37Å
41V85.8Confident85.7Confident14 Ų1448.7 Ų48.79%0.08525%0.254CS..Hα-helixtrans-56.5-45.9178.5170.70000111.9E43 I44 Y45 R119 T121 A124V41-E43 VanDerWaalsContact C-N 3.3Å; V41-E43 PolarHBondContact O-N 3.26Å; V41-I44 PolarHBondContact O-N 3.45Å; V41-Y45 HydrophobicContact CG1-CD2 3.89Å; V41-Y45 HydrophobicContact CG1-CE2 3.4Å; V41-Y45 VanDerWaalsContact CG1-CE2 3.4Å; V41-Y45 WeakPolarHBondContact O-CD2 3.43Å; V41-Y45 PolarHBondContact O-N 2.78Å; V41-Y45 VanDerWaalsContact O-N 3.16Å; V41-R119 WeakPolarHBondContact CG2-O 3.34Å; V41-T121 HydrophobicContact CG2-CG2 4.46Å; V41-A124 HydrophobicContact CB-CB 4.34Å; V41-A124 HydrophobicContact CG1-CB 3.93Å; V41-A124 HydrophobicContact CG2-CB 4.15Å
42A81.9Confident86.1Confident39 Ų3948.4 Ų48.432%0.32225%0.253SS..Hα-helixtrans-59.8-41.1178.600000111.8T40 Y45 L46T40-A42 VanDerWaalsContact C-N 3.32Å; T40-A42 PolarHBondContact O-N 3.44Å; A42-Y45 PolarHBondContact O-N 3.26Å; A42-L46 VanDerWaalsContact O-CG 3.28Å; A42-L46 WeakPolarHBondContact O-CG 3.25Å; A42-L46 PolarHBondContact O-N 3.41Å
43E85.4Confident86.7Confident1 Ų147.9 Ų47.91%0.00525%0.251CS..Hα-helixtrans-69.1-33178.3-67.4178.9107.700114.2F32 L39 T40 V41 Y45 L46 S47 Y287 K291F32-E43 HydrophobicContact CD1-CB 4.49Å; F32-E43 HydrophobicContact CE1-CB 4.11Å; F32-E43 HydrophobicContact CE1-CG 3.84Å; F32-E43 WeakPolarHBondContact CE1-OE1 3.38Å; F32-E43 HydrophobicContact CZ-CB 4.34Å; F32-E43 HydrophobicContact CZ-CG 4.24Å; L39-E43 WeakPolarHBondContact CA-OE2 3.24Å; L39-E43 HydrophobicContact CB-CB 4.15Å; L39-E43 HydrophobicContact CD2-CB 4.15Å; T40-E43 PolarHBondContact N-OE2 2.91Å; T40-E43 PolarHBondContact O-N 3.34Å; T40-E43 VanDerWaalsContact OG1-CG 3.24Å; T40-E43 WeakPolarHBondContact OG1-CG 3.2Å; T40-E43 PolarHBondContact OG1-OE2 3.45Å; T40-E43 VanDerWaalsContact OG1-OE2 3.05Å; V41-E43 VanDerWaalsContact C-N 3.3Å; V41-E43 PolarHBondContact O-N 3.26Å; E43-Y45 VanDerWaalsContact C-N 3.32Å; E43-L46 PolarHBondContact O-N 2.89Å; E43-S47 VanDerWaalsContact O-CB 3.28Å; E43-S47 WeakPolarHBondContact O-CB 3.44Å; E43-S47 PolarHBondContact O-N 2.92Å; E43-S47 PolarHBondContact O-OG 2.88Å; E43-Y287 HydrophobicContact CG-CD1 4.32Å; E43-Y287 HydrophobicContact CG-CE1 3.44Å; E43-Y287 VanDerWaalsContact CG-CE1 3.44Å; E43-Y287 VanDerWaalsContact OE1-CE1 3.23Å; E43-Y287 WeakPolarHBondContact OE1-CE1 3.34Å; E43-Y287 PolarHBondContact OE1-OH 3.01Å; E43-Y287 PolarHBondContact OE2-OH 2.74Å; E43-K291 WeakPolarHBondContact OE1-CD 3.3Å; E43-K291 WeakPolarHBondContact OE1-CE 3.19Å; E43-K291 IonicContact OE1-NZ 3.93Å; E43-K291 PolarHBondContact OE1-NZ 2.84Å; E43-K291 IonicContact OE2-NZ 2.92Å; E43-K291 PolarHBondContact OE2-NZ 3.1Å
44I90.9Very high87.2Confident15 Ų1546.8 Ų46.88%0.07723%0.23CC..Hα-helixtrans-63.2-44.4174.1-68.9164.5000109.2L39 T40 V41 S47 N48 T121 A124 K125L39-I44 HydrophobicContact CB-CD1 4.49Å; L39-I44 HydrophobicContact CB-CG1 3.91Å; L39-I44 HydrophobicContact CD1-CG1 4.43Å; T40-I44 WeakPolarHBondContact O-CG1 3.45Å; T40-I44 PolarHBondContact O-N 2.92Å; V41-I44 PolarHBondContact O-N 3.45Å; I44-S47 PolarHBondContact O-N 3.25Å; I44-N48 WeakPolarHBondContact O-CB 3.32Å; I44-N48 PolarHBondContact O-N 2.94Å; I44-T121 HydrophobicContact CD1-CG2 4.01Å; I44-A124 HydrophobicContact CB-CB 4.25Å; I44-A124 HydrophobicContact CD1-CB 4.04Å; I44-A124 HydrophobicContact CG2-CB 4.01Å; I44-K125 HydrophobicContact CD1-CG 4.25Å; I44-K125 HydrophobicContact CG2-CG 4.27Å
45Y90.3Very high88Confident13 Ų1347.2 Ų47.25%0.05122%0.223CC..Hα-helixtrans-66.5-40.6175.1-65.6-43.6000112.8V41 A42 E43 S47 N48 L49 T97 M100 I101 D104 A124 T127V41-Y45 HydrophobicContact CG1-CD2 3.89Å; V41-Y45 HydrophobicContact CG1-CE2 3.4Å; V41-Y45 VanDerWaalsContact CG1-CE2 3.4Å; V41-Y45 WeakPolarHBondContact O-CD2 3.43Å; V41-Y45 PolarHBondContact O-N 2.78Å; V41-Y45 VanDerWaalsContact O-N 3.16Å; A42-Y45 PolarHBondContact O-N 3.26Å; E43-Y45 VanDerWaalsContact C-N 3.32Å; Y45-S47 VanDerWaalsContact C-N 3.33Å; Y45-S47 PolarHBondContact O-N 3.03Å; Y45-N48 WeakPolarHBondContact O-CB 3.35Å; Y45-N48 PolarHBondContact O-N 3.47Å; Y45-L49 PolarHBondContact O-N 2.85Å; Y45-T97 HydrophobicContact CD1-CG2 4.38Å; Y45-T97 HydrophobicContact CG-CG2 4.43Å; Y45-T97 WeakPolarHBondContact O-CG2 3.44Å; Y45-M100 HydrophobicContact CE1-CB 4.02Å; Y45-M100 HydrophobicContact CE2-CB 4.32Å; Y45-I101 HydrophobicContact CD2-CG1 3.77Å; Y45-I101 HydrophobicContact CG-CG1 3.94Å; Y45-D104 HydrophobicContact CE2-CB 4.38Å; Y45-A124 HydrophobicContact CE1-CB 4.35Å; Y45-T127 HydrophobicContact CE1-CG2 4.1Å
46L88.1Confident88.8Confident26 Ų2646.2 Ų46.214%0.13622%0.219CC..Hα-helixtrans-63.6-38.9175-70.2175.9000112.3F32 A42 E43 L49 A50 Y281F32-L46 HydrophobicContact CE2-CB 4.15Å; F32-L46 HydrophobicContact CZ-CB 4.4Å; A42-L46 VanDerWaalsContact O-CG 3.28Å; A42-L46 WeakPolarHBondContact O-CG 3.25Å; A42-L46 PolarHBondContact O-N 3.41Å; E43-L46 PolarHBondContact O-N 2.89Å; L46-L49 PolarHBondContact O-N 3.42Å; L46-A50 WeakPolarHBondContact O-CB 3.3Å; L46-A50 PolarHBondContact O-N 2.81Å; L46-Y281 HydrophobicContact CD2-CD1 3.53Å; L46-Y281 HydrophobicContact CD2-CD2 4.06Å; L46-Y281 HydrophobicContact CD2-CE1 3.26Å; L46-Y281 HydrophobicContact CD2-CE2 3.83Å; L46-Y281 HydrophobicContact CD2-CG 3.97Å; L46-Y281 VanDerWaalsContact CD2-CZ 3.47Å
47S91Very high90.5Very high21 Ų2136.3 Ų36.315%0.14718%0.182CC..Hα-helixtrans-66.3-39.1174.6-58.80000111.3L29 F32 E43 I44 Y45 A50 L51L29-S47 WeakPolarHBondContact CD2-O 3.4Å; F32-S47 WeakPolarHBondContact CD2-OG 3.5Å; E43-S47 VanDerWaalsContact O-CB 3.28Å; E43-S47 WeakPolarHBondContact O-CB 3.44Å; E43-S47 PolarHBondContact O-N 2.92Å; E43-S47 PolarHBondContact O-OG 2.88Å; I44-S47 PolarHBondContact O-N 3.25Å; Y45-S47 VanDerWaalsContact C-N 3.33Å; Y45-S47 PolarHBondContact O-N 3.03Å; S47-A50 PolarHBondContact O-N 3.25Å; S47-L51 WeakPolarHBondContact O-CB 3.49Å; S47-L51 PolarHBondContact O-N 2.64Å
48N94.3Very high91.4Very high11 Ų1135 Ų356%0.05918%0.178CC..Hα-helixtrans-61.4-44.9175.5-169.166.1000111.7I44 Y45 L51 A52 T97 C128 W132I44-N48 WeakPolarHBondContact O-CB 3.32Å; I44-N48 PolarHBondContact O-N 2.94Å; Y45-N48 WeakPolarHBondContact O-CB 3.35Å; Y45-N48 PolarHBondContact O-N 3.47Å; N48-L51 PolarHBondContact O-N 2.9Å; N48-A52 PolarHBondContact O-N 2.75Å; N48-T97 PolarHBondContact ND2-OG1 2.92Å; N48-C128 HydrophobicContact CB-CB 4.33Å; N48-W132 PolarHBondContact OD1-NE1 3.08Å
49L92.9Very high92.2Very high1 Ų124.3 Ų24.31%0.00514%0.14CC..Hα-helixtrans-65.4-46177.6-171.549.3000111.4Y45 L46 L51 A52 D53 S94 T97 L98 Y281Y45-L49 PolarHBondContact O-N 2.85Å; L46-L49 PolarHBondContact O-N 3.42Å; L49-L51 VanDerWaalsContact C-N 3.28Å; L49-L51 PolarHBondContact O-N 3.12Å; L49-A52 PolarHBondContact O-N 2.79Å; L49-D53 WeakPolarHBondContact O-CB 3.37Å; L49-D53 PolarHBondContact O-N 2.97Å; L49-S94 VanDerWaalsContact CD1-OG 3.32Å; L49-S94 WeakPolarHBondContact CD1-OG 3.23Å; L49-T97 HydrophobicContact CB-CG2 4.32Å; L49-L98 HydrophobicContact CD2-CD2 4.23Å; L49-Y281 WeakPolarHBondContact CD2-OH 3.34Å
50A94.3Very high92.7Very high0 Ų022.1 Ų22.10%013%0.129CC..Hα-helixtrans-60.7-36.2175.600000112.7N25 V28 L29 L46 S47 F54N25-A50 WeakPolarHBondContact OD1-CA 3.47Å; V28-A50 HydrophobicContact CB-CB 4.24Å; V28-A50 HydrophobicContact CG1-CB 3.84Å; L29-A50 HydrophobicContact CD2-CB 4.02Å; L29-A50 HydrophobicContact CG-CB 4.05Å; L46-A50 WeakPolarHBondContact O-CB 3.3Å; L46-A50 PolarHBondContact O-N 2.81Å; S47-A50 PolarHBondContact O-N 3.25Å; A50-F54 WeakPolarHBondContact O-CB 3.41Å; A50-F54 PolarHBondContact O-N 2.9Å
51L96.6Very high93.3Very high72 Ų7221.1 Ų21.138%0.37712%0.123SC..Hα-helixtrans-67.4-46.4174.5179.561.7000111.6L29 S47 N48 L49 D53 F54 L55 W132L29-L51 HydrophobicContact CD1-CD1 4.49Å; L29-L51 HydrophobicContact CD2-CB 4.21Å; S47-L51 WeakPolarHBondContact O-CB 3.49Å; S47-L51 PolarHBondContact O-N 2.64Å; N48-L51 PolarHBondContact O-N 2.9Å; L49-L51 VanDerWaalsContact C-N 3.28Å; L49-L51 PolarHBondContact O-N 3.12Å; L51-D53 VanDerWaalsContact C-N 3.33Å; L51-D53 PolarHBondContact O-N 2.89Å; L51-F54 PolarHBondContact O-N 3.43Å; L51-L55 HydrophobicContact CD1-CG 4.42Å; L51-L55 WeakPolarHBondContact O-CG 3.4Å; L51-L55 PolarHBondContact O-N 2.73Å; L51-W132 HydrophobicContact CD2-CZ2 4.14Å; L51-W132 HydrophobicContact CG-CZ2 4.09Å
52A96.9Very high93.7Very high1 Ų123.5 Ų23.51%0.00813%0.133CC..Hα-helixtrans-60.5-44177.300000111.5N48 L49 L56 N90 T93 W132N48-A52 PolarHBondContact O-N 2.75Å; L49-A52 PolarHBondContact O-N 2.79Å; A52-L56 PolarHBondContact O-N 3.01Å; A52-L56 VanDerWaalsContact O-N 3.15Å; A52-N90 PolarHBondContact O-ND2 3.25Å; A52-T93 HydrophobicContact CB-CG2 3.78Å; A52-W132 HydrophobicContact CB-CH2 4.12Å; A52-W132 HydrophobicContact CB-CZ2 4Å
53D96.6Very high94.2Very high0 Ų023.7 Ų23.70%013%0.125CC..Hα-helixtrans-64.7-46177.3-74.3-25.3000111.1L49 L51 L55 L56 L57 N90 S274 N277L49-D53 WeakPolarHBondContact O-CB 3.37Å; L49-D53 PolarHBondContact O-N 2.97Å; L51-D53 VanDerWaalsContact C-N 3.33Å; L51-D53 PolarHBondContact O-N 2.89Å; D53-L55 VanDerWaalsContact C-N 3.34Å; D53-L55 PolarHBondContact O-N 2.86Å; D53-L56 PolarHBondContact O-N 3.45Å; D53-L57 WeakPolarHBondContact O-CB 3.35Å; D53-L57 VanDerWaalsContact O-CD1 3.27Å; D53-L57 WeakPolarHBondContact O-CD1 3.19Å; D53-L57 WeakPolarHBondContact O-CG 3.45Å; D53-L57 PolarHBondContact O-N 3Å; D53-N90 WeakPolarHBondContact CA-ND2 3.41Å; D53-N90 PolarHBondContact N-ND2 3Å; D53-N90 PolarHBondContact OD1-ND2 3.47Å; D53-S274 VanDerWaalsContact OD1-CB 3.24Å; D53-S274 WeakPolarHBondContact OD1-CB 3.42Å; D53-S274 PolarHBondContact OD1-OG 3.44Å; D53-N277 PolarHBondContact OD2-ND2 3.08Å
54F97.3Very high94.6Very high63 Ų6323.7 Ų23.728%0.27613%0.125SC..Hα-helixtrans-56.3-47177-173.7-86.8000112.1L22 N25 L29 A50 L51 L56 L57 C58L22-F54 HydrophobicContact CB-CE2 4.3Å; L22-F54 HydrophobicContact CD2-CD1 4.3Å; L22-F54 HydrophobicContact CD2-CD2 3.65Å; L22-F54 HydrophobicContact CD2-CE1 4.2Å; L22-F54 HydrophobicContact CD2-CE2 3.55Å; L22-F54 HydrophobicContact CD2-CG 4.04Å; L22-F54 HydrophobicContact CD2-CZ 3.84Å; N25-F54 HydrophobicContact CB-CB 4.17Å; N25-F54 HydrophobicContact CB-CD2 4.37Å; L29-F54 HydrophobicContact CD1-CB 4.24Å; L29-F54 HydrophobicContact CD1-CG 4.4Å; A50-F54 WeakPolarHBondContact O-CB 3.41Å; A50-F54 PolarHBondContact O-N 2.9Å; L51-F54 PolarHBondContact O-N 3.43Å; F54-L56 PolarHBondContact O-N 3.22Å; F54-L57 PolarHBondContact O-N 3.25Å; F54-C58 VanDerWaalsContact CE1-SG 3.6Å; F54-C58 PolarHBondContact O-N 3.36Å; F54-C58 VanDerWaalsContact O-N 3.08Å; F54-C58 PolarHBondContact O-SG 3.36Å; F54-C58 VanDerWaalsContact O-SG 3.35Å
55L97.6Very high94.8Very high68 Ų6826.7 Ų26.736%0.35614%0.14SC..Hα-helixtrans-63.4-42.5178.9-68.5-175.9000112.1L51 D53 L57 C58 N86 W132L51-L55 HydrophobicContact CD1-CG 4.42Å; L51-L55 WeakPolarHBondContact O-CG 3.4Å; L51-L55 PolarHBondContact O-N 2.73Å; D53-L55 VanDerWaalsContact C-N 3.34Å; D53-L55 PolarHBondContact O-N 2.86Å; L55-L57 VanDerWaalsContact C-N 3.34Å; L55-L57 PolarHBondContact O-N 2.95Å; L55-C58 PolarHBondContact O-N 3.28Å; L55-N86 PolarHBondContact O-ND2 3.21Å; L55-W132 HydrophobicContact CD1-CH2 3.73Å; L55-W132 HydrophobicContact CD1-CZ3 4.18Å
56L97.1Very high94.9Very high1 Ų127 Ų271%0.00514%0.141CC..Hα-helixtrans-56.3-50.5173.6168.957.5000110.9A52 D53 F54 C58 G59 L60 N86 I87 N90 F271 S274A52-L56 PolarHBondContact O-N 3.01Å; A52-L56 VanDerWaalsContact O-N 3.15Å; D53-L56 PolarHBondContact O-N 3.45Å; F54-L56 PolarHBondContact O-N 3.22Å; L56-C58 PolarHBondContact O-N 2.83Å; L56-G59 WeakPolarHBondContact O-CA 3.32Å; L56-G59 PolarHBondContact O-N 3.44Å; L56-L60 HydrophobicContact CD1-CD2 3.84Å; L56-L60 HydrophobicContact CD1-CG 4.24Å; L56-L60 HydrophobicContact CG-CD2 4.47Å; L56-L60 HydrophobicContact CG-CG 4.42Å; L56-L60 PolarHBondContact O-N 3.44Å; L56-N86 WeakPolarHBondContact CA-ND2 3.31Å; L56-N86 PolarHBondContact N-ND2 3.06Å; L56-I87 HydrophobicContact CD1-CB 4.25Å; L56-I87 HydrophobicContact CD1-CG1 3.53Å; L56-N90 HydrophobicContact CB-CB 3.85Å; L56-N90 HydrophobicContact CD2-CB 4.04Å; L56-N90 VanDerWaalsContact CD2-CG 3.5Å; L56-N90 WeakPolarHBondContact CD2-OD1 3.4Å; L56-N90 HydrophobicContact CG-CB 4.44Å; L56-F271 HydrophobicContact CD1-CE1 4.48Å; L56-F271 HydrophobicContact CD2-CD1 4.32Å; L56-S274 WeakPolarHBondContact CD2-OG 3.24Å
57L97.6Very high95.1Very high0 Ų025.8 Ų25.80%013%0.134CC..Hα-helixtrans-63.2-28.7-175.5-65.9162.5000112.9L17 S18 L22 N25 D53 F54 L55 G59 L60 P61L17-L57 HydrophobicContact CD2-CD2 3.31Å; S18-L57 PolarHBondContact OG-O 2.98Å; L22-L57 HydrophobicContact CD2-CB 3.81Å; L22-L57 HydrophobicContact CG-CB 3.92Å; N25-L57 WeakPolarHBondContact ND2-CD1 3.29Å; D53-L57 WeakPolarHBondContact O-CB 3.35Å; D53-L57 VanDerWaalsContact O-CD1 3.27Å; D53-L57 WeakPolarHBondContact O-CD1 3.19Å; D53-L57 WeakPolarHBondContact O-CG 3.45Å; D53-L57 PolarHBondContact O-N 3Å; F54-L57 PolarHBondContact O-N 3.25Å; L55-L57 VanDerWaalsContact C-N 3.34Å; L55-L57 PolarHBondContact O-N 2.95Å; L57-G59 VanDerWaalsContact C-N 3.3Å; L57-G59 PolarHBondContact O-N 3.21Å; L57-L60 HydrophobicContact CD2-CD1 3.99Å; L57-P61 VanDerWaalsContact O-CD 3.26Å; L57-P61 WeakPolarHBondContact O-CD 3.24Å
58C97.1Very high95.1Very high53 Ų5329 Ų2936%0.35815%0.149SC..Hα-helixtrans-65.2-30.4170.2-68.90000113.2L22 F54 L55 L56 P61L22-C58 VanDerWaalsContact CD2-SG 3.52Å; F54-C58 VanDerWaalsContact CE1-SG 3.6Å; F54-C58 PolarHBondContact O-N 3.36Å; F54-C58 VanDerWaalsContact O-N 3.08Å; F54-C58 PolarHBondContact O-SG 3.36Å; F54-C58 VanDerWaalsContact O-SG 3.35Å; L55-C58 PolarHBondContact O-N 3.28Å; L56-C58 PolarHBondContact O-N 2.83Å; C58-P61 WeakPolarHBondContact O-CD 3.16Å
59G95.7Very high95Very high8 Ų831.6 Ų31.68%0.08216%0.163CC..Hα-helixtrans-83.7-24.4-179.800000114.1L56 L57 F62 V83L56-G59 WeakPolarHBondContact O-CA 3.32Å; L56-G59 PolarHBondContact O-N 3.44Å; L57-G59 VanDerWaalsContact C-N 3.3Å; L57-G59 PolarHBondContact O-N 3.21Å; G59-F62 WeakPolarHBondContact O-CB 3.14Å; G59-F62 WeakPolarHBondContact O-CD2 3.18Å; G59-F62 PolarHBondContact O-N 2.86Å; G59-V83 WeakPolarHBondContact O-CG1 3.43Å
60L95.4Very high94.9Very high1 Ų137.5 Ų37.51%0.00519%0.191CC..Hα-helixtrans-62.5-34.5-175.9-67.7-170.2000115.8I14 L17 L56 L57 F62 W63 A64 F271I14-L60 HydrophobicContact CG2-CB 3.75Å; I14-L60 VanDerWaalsContact CG2-O 3.32Å; I14-L60 WeakPolarHBondContact CG2-O 3.43Å; L17-L60 HydrophobicContact CD2-CD1 3.56Å; L56-L60 HydrophobicContact CD1-CD2 3.84Å; L56-L60 HydrophobicContact CD1-CG 4.24Å; L56-L60 HydrophobicContact CG-CD2 4.47Å; L56-L60 HydrophobicContact CG-CG 4.42Å; L56-L60 PolarHBondContact O-N 3.44Å; L57-L60 HydrophobicContact CD2-CD1 3.99Å; L60-F62 PolarHBondContact O-N 3.4Å; L60-W63 WeakPolarHBondContact O-CA 3.29Å; L60-W63 VanDerWaalsContact O-CB 3.31Å; L60-W63 WeakPolarHBondContact O-CB 3.27Å; L60-W63 PolarHBondContact O-N 3.23Å; L60-A64 PolarHBondContact O-N 3.16Å; L60-F271 HydrophobicContact CD1-CB 4.13Å; L60-F271 HydrophobicContact CD1-CD2 4.29Å; L60-F271 HydrophobicContact CD1-CG 4.17Å; L60-F271 HydrophobicContact CD2-CD1 4.15Å; L60-F271 HydrophobicContact CD2-CD2 3.8Å; L60-F271 HydrophobicContact CD2-CE1 4.09Å; L60-F271 HydrophobicContact CD2-CE2 3.73Å; L60-F271 HydrophobicContact CD2-CG 4.02Å; L60-F271 HydrophobicContact CD2-CZ 3.89Å
61P96.1Very high94.6Very high35 Ų3539.8 Ų39.823%0.22720%0.201CC..Hα-helixtrans-55.6-32.9174.2-30.337.7000113.8F15 S18 L57 C58 W63 A64 M65F15-P61 HydrophobicContact CD1-CB 4.45Å; F15-P61 HydrophobicContact CE1-CB 4.04Å; S18-P61 WeakPolarHBondContact OG-CD 3.48Å; S18-P61 WeakPolarHBondContact OG-CG 3.44Å; L57-P61 VanDerWaalsContact O-CD 3.26Å; L57-P61 WeakPolarHBondContact O-CD 3.24Å; C58-P61 WeakPolarHBondContact O-CD 3.16Å; P61-W63 VanDerWaalsContact C-N 3.31Å; P61-W63 PolarHBondContact O-N 3.36Å; P61-A64 PolarHBondContact O-N 3.31Å; P61-M65 WeakPolarHBondContact O-CG 3.37Å; P61-M65 PolarHBondContact O-N 3.21Å
62F95.5Very high94.5Very high65 Ų6538.5 Ų38.529%0.28519%0.194SC..Hα-helixtrans-66.8-34175.3-62.7-79.8000112G59 L60 Y66 W73 Y75 L79 V83G59-F62 WeakPolarHBondContact O-CB 3.14Å; G59-F62 WeakPolarHBondContact O-CD2 3.18Å; G59-F62 PolarHBondContact O-N 2.86Å; L60-F62 PolarHBondContact O-N 3.4Å; F62-Y66 VanDerWaalsContact O-CB 3.25Å; F62-Y66 WeakPolarHBondContact O-CB 3.2Å; F62-Y66 PolarHBondContact O-N 3.04Å; F62-W73 HydrophobicContact CB-CH2 3.88Å; F62-W73 HydrophobicContact CB-CZ3 4.33Å; F62-Y75 HydrophobicContact CD1-CD1 4.24Å; F62-Y75 HydrophobicContact CD1-CD2 4.25Å; F62-Y75 HydrophobicContact CD1-CE1 4.32Å; F62-Y75 HydrophobicContact CD1-CE2 4.32Å; F62-Y75 HydrophobicContact CD1-CG 4.21Å; F62-Y75 HydrophobicContact CE1-CD1 4.39Å; F62-L79 HydrophobicContact CD1-CD2 3.55Å; F62-L79 HydrophobicContact CE1-CD2 3.39Å; F62-L79 HydrophobicContact CE2-CD2 4.44Å; F62-L79 HydrophobicContact CG-CD2 4.17Å; F62-L79 HydrophobicContact CZ-CD2 3.87Å; F62-V83 HydrophobicContact CB-CG2 4.26Å; F62-V83 HydrophobicContact CD2-CG2 4.01Å; F62-V83 HydrophobicContact CG-CG2 4.29Å
63W92.7Very high94.4Very high43 Ų4338.7 Ų38.716%0.16320%0.195CC..Hα-helixtrans-68.3-41.6172.2-93.3101.4000112.4I14 L60 P61 M65 Y66 I67 N84 I87I14-W63 HydrophobicContact CD1-CB 4.48Å; L60-W63 WeakPolarHBondContact O-CA 3.29Å; L60-W63 VanDerWaalsContact O-CB 3.31Å; L60-W63 WeakPolarHBondContact O-CB 3.27Å; L60-W63 PolarHBondContact O-N 3.23Å; P61-W63 VanDerWaalsContact C-N 3.31Å; P61-W63 PolarHBondContact O-N 3.36Å; W63-M65 VanDerWaalsContact C-N 3.34Å; W63-M65 PolarHBondContact O-N 2.94Å; W63-Y66 AromaticContact CE3-CD1 3.81Å; W63-Y66 HydrophobicContact CE3-CD1 3.81Å; W63-Y66 HydrophobicContact CE3-CE1 4.36Å; W63-Y66 AromaticContact CZ3-CD1 3.86Å; W63-Y66 HydrophobicContact CZ3-CD1 3.86Å; W63-Y66 AromaticContact CZ3-CE1 3.92Å; W63-Y66 HydrophobicContact CZ3-CE1 3.92Å; W63-Y66 WeakPolarHBondContact O-CB 3.43Å; W63-Y66 PolarHBondContact O-N 2.74Å; W63-I67 WeakPolarHBondContact O-CG1 3.31Å; W63-I67 PolarHBondContact O-N 3.32Å; W63-I67 VanDerWaalsContact O-N 3.08Å; W63-N84 VanDerWaalsContact CZ2-OD1 3.29Å; W63-N84 WeakPolarHBondContact CZ2-OD1 3.48Å; W63-I87 VanDerWaalsContact NE1-CD1 3.35Å
64A93.8Very high94.2Very high0 Ų042.6 Ų42.60%022%0.222CC..Hα-helixtrans-60.4-46174.500000111.2P11 I14 F15 L60 P61 I67 L68P11-A64 HydrophobicContact CB-CB 4.16Å; I14-A64 HydrophobicContact CB-CB 3.99Å; I14-A64 HydrophobicContact CG2-CB 3.84Å; F15-A64 HydrophobicContact CD1-CB 4.25Å; F15-A64 HydrophobicContact CD2-CB 4.02Å; F15-A64 HydrophobicContact CE1-CB 3.92Å; F15-A64 HydrophobicContact CE2-CB 3.67Å; F15-A64 HydrophobicContact CG-CB 4.29Å; F15-A64 HydrophobicContact CZ-CB 3.61Å; L60-A64 PolarHBondContact O-N 3.16Å; P61-A64 PolarHBondContact O-N 3.31Å; A64-I67 PolarHBondContact O-N 3.18Å; A64-L68 WeakPolarHBondContact O-CG 3.4Å; A64-L68 PolarHBondContact O-N 3.45Å
65M94.8Very high94.1Very high79 Ų7943.6 Ų43.639%0.38923%0.225SC..Hα-helixtrans-66.1-37.5177-70.8-60.8-65.500112.9F15 P61 W63 I67 L68 N69 Y75F15-M65 HydrophobicContact CZ-CG 4.17Å; F15-M65 HydrophobicContact CZ-SD 3.97Å; P61-M65 WeakPolarHBondContact O-CG 3.37Å; P61-M65 PolarHBondContact O-N 3.21Å; W63-M65 VanDerWaalsContact C-N 3.34Å; W63-M65 PolarHBondContact O-N 2.94Å; M65-I67 VanDerWaalsContact C-N 3.29Å; M65-I67 PolarHBondContact O-N 3.39Å; M65-L68 PolarHBondContact O-N 3.48Å; M65-L68 HydrophobicContact SD-CD1 4.09Å; M65-N69 VanDerWaalsContact O-CB 3.26Å; M65-N69 WeakPolarHBondContact O-CB 3.27Å; M65-N69 PolarHBondContact O-N 3.22Å; M65-Y75 HydrophobicContact CB-CE2 4.4Å; M65-Y75 WeakPolarHBondContact CB-OH 3.33Å
66Y92.9Very high93.9Very high20 Ų2042.2 Ų42.28%0.07823%0.226CC..Hα-helixtrans-56.7-44.2173.4173-115.5000111.5F62 W63 N69 F71 W73 S158F62-Y66 VanDerWaalsContact O-CB 3.25Å; F62-Y66 WeakPolarHBondContact O-CB 3.2Å; F62-Y66 PolarHBondContact O-N 3.04Å; W63-Y66 AromaticContact CE3-CD1 3.81Å; W63-Y66 HydrophobicContact CE3-CD1 3.81Å; W63-Y66 HydrophobicContact CE3-CE1 4.36Å; W63-Y66 AromaticContact CZ3-CD1 3.86Å; W63-Y66 HydrophobicContact CZ3-CD1 3.86Å; W63-Y66 AromaticContact CZ3-CE1 3.92Å; W63-Y66 HydrophobicContact CZ3-CE1 3.92Å; W63-Y66 WeakPolarHBondContact O-CB 3.43Å; W63-Y66 PolarHBondContact O-N 2.74Å; Y66-N69 PolarHBondContact O-N 3.37Å; Y66-F71 HydrophobicContact CD1-CD1 4.04Å; Y66-F71 HydrophobicContact CE1-CB 4.2Å; Y66-F71 AromaticContact CE1-CD1 3.55Å; Y66-F71 HydrophobicContact CE1-CD1 3.55Å; Y66-F71 HydrophobicContact CE1-CE1 4.46Å; Y66-F71 HydrophobicContact CE1-CG 4.37Å; Y66-F71 HydrophobicContact CE2-CB 4.1Å; Y66-F71 WeakPolarHBondContact CE2-O 3.13Å; Y66-F71 AromaticContact CZ-CD1 4Å; Y66-F71 WeakPolarHBondContact O-CA 3.28Å; Y66-F71 PolarHBondContact O-N 2.88Å; Y66-F71 PolarHBondContact OH-O 3.06Å; Y66-W73 HydrophobicContact CD2-CB 3.92Å; Y66-W73 AromaticContact CD2-CE3 3.76Å; Y66-W73 HydrophobicContact CD2-CE3 3.76Å; Y66-W73 HydrophobicContact CE2-CB 3.92Å; Y66-W73 HydrophobicContact CE2-CE3 4.42Å; Y66-W73 AromaticContact CG-CE3 3.98Å; Y66-W73 HydrophobicContact CG-CE3 3.98Å; Y66-S158 WeakPolarHBondContact OH-CB 3.39Å; Y66-S158 PolarHBondContact OH-OG 2.97Å
67I90.9Very high93.8Very high0 Ų044.9 Ų44.90%024%0.241CC..Hα-helixtrans-68.2-43.5176.4-61.9163000110.9H7 I10 P11 I14 W63 A64 M65 N69 Q70 F71 Y268H7-I67 PolarHBondContact CE1-O 2.85Å; H7-I67 PolarHBondContact ND1-O 3.05Å; I10-I67 HydrophobicContact CB-CD1 4.4Å; I10-I67 HydrophobicContact CG2-CD1 3.61Å; P11-I67 HydrophobicContact CG-CB 4Å; P11-I67 HydrophobicContact CG-CG2 3.65Å; I14-I67 HydrophobicContact CD1-CD1 3.99Å; W63-I67 WeakPolarHBondContact O-CG1 3.31Å; W63-I67 PolarHBondContact O-N 3.32Å; W63-I67 VanDerWaalsContact O-N 3.08Å; A64-I67 PolarHBondContact O-N 3.18Å; M65-I67 VanDerWaalsContact C-N 3.29Å; M65-I67 PolarHBondContact O-N 3.39Å; I67-N69 VanDerWaalsContact C-N 3.26Å; I67-N69 PolarHBondContact O-N 2.87Å; I67-Q70 PolarHBondContact O-N 2.66Å; I67-F71 HydrophobicContact CG1-CE1 3.97Å; I67-Y268 HydrophobicContact CD1-CE1 4.38Å; I67-Y268 WeakPolarHBondContact CD1-OH 3.41Å
68L92.2Very high93.7Very high87 Ų8748.6 Ų48.646%0.45527%0.272SS..Hα-helixtrans-62.2-35.4177.9-73174.2000112.4P11 F15 A64 M65 Q70P11-L68 HydrophobicContact CB-CD1 4.05Å; P11-L68 HydrophobicContact CB-CD2 3.83Å; P11-L68 HydrophobicContact CB-CG 3.66Å; P11-L68 HydrophobicContact CG-CD2 3.79Å; P11-L68 HydrophobicContact CG-CG 3.85Å; F15-L68 HydrophobicContact CE2-CD1 3.91Å; F15-L68 HydrophobicContact CZ-CD1 4.45Å; A64-L68 WeakPolarHBondContact O-CG 3.4Å; A64-L68 PolarHBondContact O-N 3.45Å; M65-L68 PolarHBondContact O-N 3.48Å; M65-L68 HydrophobicContact SD-CD1 4.09Å; L68-Q70 PolarHBondContact O-N 3.32Å; L68-Q70 VanDerWaalsContact O-N 3.16Å
69N91.8Very high93.7Very high66 Ų6648.3 Ų48.335%0.35327%0.267SS..THydrogen-bonded Turntrans-83.929.4177.8-16235.7000112.7M65 Y66 I67 F71 N72M65-N69 VanDerWaalsContact O-CB 3.26Å; M65-N69 WeakPolarHBondContact O-CB 3.27Å; M65-N69 PolarHBondContact O-N 3.22Å; Y66-N69 PolarHBondContact O-N 3.37Å; I67-N69 VanDerWaalsContact C-N 3.26Å; I67-N69 PolarHBondContact O-N 2.87Å; N69-F71 VanDerWaalsContact C-N 3.3Å; N69-F71 PolarHBondContact O-N 3.5Å; N69-N72 PolarHBondContact ND2-O 3.18Å; N69-N72 WeakPolarHBondContact O-CB 3.14Å; N69-N72 PolarHBondContact O-N 2.86Å
70Q89.3Confident93.7Very high125 Ų12548 Ų4858%0.58426%0.263SS*.THydrogen-bonded Turntrans54.643.2177.3-56.5-60.8-52.900113.1I67 L68 N72I67-Q70 PolarHBondContact O-N 2.66Å; L68-Q70 PolarHBondContact O-N 3.32Å; L68-Q70 VanDerWaalsContact O-N 3.16Å; Q70-N72 PolarHBondContact O-N 3.46Å
71F89.9Confident93.8Very high48 Ų4850.6 Ų50.621%0.21127%0.274CS..THydrogen-bonded Turntrans58.727.5-178.2-53.8-77.9000114.1H7 Y66 I67 N69 T156 S158H7-F71 AromaticContact CE1-CD2 3.8Å; H7-F71 AromaticContact CE1-CE2 3.38Å; H7-F71 WeakPolarHBondContact CE1-CE2 3.44Å; H7-F71 AromaticContact CE1-CZ 3.97Å; H7-F71 AromaticContact NE2-CD2 3.82Å; H7-F71 AromaticContact NE2-CE2 3.14Å; H7-F71 WeakPolarHBondContact NE2-CE2 3.27Å; H7-F71 AromaticContact NE2-CZ 3.9Å; Y66-F71 HydrophobicContact CD1-CD1 4.04Å; Y66-F71 HydrophobicContact CE1-CB 4.2Å; Y66-F71 AromaticContact CE1-CD1 3.55Å; Y66-F71 HydrophobicContact CE1-CD1 3.55Å; Y66-F71 HydrophobicContact CE1-CE1 4.46Å; Y66-F71 HydrophobicContact CE1-CG 4.37Å; Y66-F71 HydrophobicContact CE2-CB 4.1Å; Y66-F71 WeakPolarHBondContact CE2-O 3.13Å; Y66-F71 AromaticContact CZ-CD1 4Å; Y66-F71 WeakPolarHBondContact O-CA 3.28Å; Y66-F71 PolarHBondContact O-N 2.88Å; Y66-F71 PolarHBondContact OH-O 3.06Å; I67-F71 HydrophobicContact CG1-CE1 3.97Å; N69-F71 VanDerWaalsContact C-N 3.3Å; N69-F71 PolarHBondContact O-N 3.5Å; F71-T156 PolarHBondContact O-OG1 3.15Å; F71-S158 PolarHBondContact O-OG 2.81Å
72N93.2Very high93.8Very high46 Ų4654.1 Ų54.125%0.24629%0.29CS..  trans-96.5117.3171.5-173.727.9000110.4N69 Q70 T156 T157N69-N72 PolarHBondContact ND2-O 3.18Å; N69-N72 WeakPolarHBondContact O-CB 3.14Å; N69-N72 PolarHBondContact O-N 2.86Å; Q70-N72 PolarHBondContact O-N 3.46Å; N72-T156 WeakPolarHBondContact CA-OG1 3.45Å; N72-T156 WeakPolarHBondContact CB-OG1 3.48Å; N72-T157 CarbonylContact C-O 3.19Å; N72-T157 WeakPolarHBondContact OD1-CB 3.4Å; N72-T157 PolarHBondContact OD1-N 3.23Å; N72-T157 PolarHBondContact OD1-O 2.9Å
73W95.1Very high93.8Very high5 Ų551.1 Ų51.12%0.01928%0.278CS..  trans-94.797.4-179.2-173.4-83.7000111.4F62 Y66 Y75 G76 L79 C80 V83 V148 T157 C159F62-W73 HydrophobicContact CB-CH2 3.88Å; F62-W73 HydrophobicContact CB-CZ3 4.33Å; Y66-W73 HydrophobicContact CD2-CB 3.92Å; Y66-W73 AromaticContact CD2-CE3 3.76Å; Y66-W73 HydrophobicContact CD2-CE3 3.76Å; Y66-W73 HydrophobicContact CE2-CB 3.92Å; Y66-W73 HydrophobicContact CE2-CE3 4.42Å; Y66-W73 AromaticContact CG-CE3 3.98Å; Y66-W73 HydrophobicContact CG-CE3 3.98Å; W73-Y75 HydrophobicContact CD2-CD2 4.07Å; W73-Y75 AromaticContact CE2-CD2 3.9Å; W73-Y75 HydrophobicContact CE3-CD2 4.34Å; W73-Y75 HydrophobicContact CH2-CD2 4.33Å; W73-Y75 HydrophobicContact CZ2-CD2 4.03Å; W73-Y75 HydrophobicContact CZ2-CG 4.49Å; W73-Y75 HydrophobicContact CZ3-CD2 4.48Å; W73-G76 PolarHBondContact NE1-O 3Å; W73-L79 HydrophobicContact CZ2-CB 4.14Å; W73-L79 HydrophobicContact CZ2-CD2 4.47Å; W73-L79 HydrophobicContact CZ2-CG 4.16Å; W73-C80 HydrophobicContact CD2-CB 4.3Å; W73-C80 VanDerWaalsContact CZ2-CA 3.41Å; W73-C80 HydrophobicContact CZ2-CB 4.07Å; W73-C80 VanDerWaalsContact CZ2-N 3.32Å; W73-V83 HydrophobicContact CH2-CB 4.26Å; W73-V83 HydrophobicContact CH2-CG1 4.47Å; W73-V83 HydrophobicContact CH2-CG2 4.27Å; W73-V148 HydrophobicContact CG-CG2 4.31Å; W73-T157 PolarHBondContact N-O 3.05Å; W73-C159 HydrophobicContact CB-CB 3.96Å; W73-C159 HydrophobicContact CD2-CB 3.83Å; W73-C159 HydrophobicContact CE3-CB 4.03Å; W73-C159 HydrophobicContact CG-CB 3.78Å
74S92.6Very high93.9Very high82 Ų8249.6 Ų49.657%0.57327%0.273SS*.  trans-94.24.5-177.5-50.50000114.7
75Y93.9Very high94Very high84 Ų8449.9 Ų49.933%0.32927%0.274SS..SBendtrans-93.48.2-171.3-50.5-74.7000114.7F62 M65 W73 L79F62-Y75 HydrophobicContact CD1-CD1 4.24Å; F62-Y75 HydrophobicContact CD1-CD2 4.25Å; F62-Y75 HydrophobicContact CD1-CE1 4.32Å; F62-Y75 HydrophobicContact CD1-CE2 4.32Å; F62-Y75 HydrophobicContact CD1-CG 4.21Å; F62-Y75 HydrophobicContact CE1-CD1 4.39Å; M65-Y75 HydrophobicContact CB-CE2 4.4Å; M65-Y75 WeakPolarHBondContact CB-OH 3.33Å; W73-Y75 HydrophobicContact CD2-CD2 4.07Å; W73-Y75 AromaticContact CE2-CD2 3.9Å; W73-Y75 HydrophobicContact CE3-CD2 4.34Å; W73-Y75 HydrophobicContact CH2-CD2 4.33Å; W73-Y75 HydrophobicContact CZ2-CD2 4.03Å; W73-Y75 HydrophobicContact CZ2-CG 4.49Å; W73-Y75 HydrophobicContact CZ3-CD2 4.48Å; Y75-L79 HydrophobicContact CG-CD2 4.09Å
76G94.7Very high94.1Very high38 Ų3847.1 Ų47.139%0.39226%0.261SS..Hα-helixtrans78.9167-179.400000114.7W73 C80W73-G76 PolarHBondContact NE1-O 3Å; G76-C80 PolarHBondContact O-N 2.92Å
77D95.2Very high94.2Very high57 Ų5747.1 Ų47.131%0.30526%0.263SS..Hα-helixtrans-66.5-41.3-172.6-170.269.4000113L79 C80 K81 K147 V148D77-L79 VanDerWaalsContact C-N 3.34Å; D77-L79 PolarHBondContact O-N 3.41Å; D77-C80 WeakPolarHBondContact O-CB 3.28Å; D77-C80 PolarHBondContact O-N 3.45Å; D77-K81 WeakPolarHBondContact O-CG 3.45Å; D77-K81 PolarHBondContact O-N 2.92Å; D77-K81 WeakPolarHBondContact OD2-CD 3.26Å; D77-K81 WeakPolarHBondContact OD2-CE 3.34Å; D77-K81 IonicContact OD2-NZ 3.92Å; D77-K81 PolarHBondContact OD2-NZ 3.11Å; D77-K147 VanDerWaalsContact OD1-CA 3.26Å; D77-K147 WeakPolarHBondContact OD1-CA 3.32Å; D77-V148 HydrophobicContact CB-CG2 4.44Å; D77-V148 PolarHBondContact OD1-N 3.15Å
78A95.8Very high94.4Very high79 Ų7947.8 Ų47.865%0.65327%0.266SS*.Hα-helixtrans-59-44.3-18000000112.1K81 L82A78-K81 PolarHBondContact O-N 3.3Å; A78-L82 WeakPolarHBondContact O-CB 3.28Å; A78-L82 PolarHBondContact O-N 2.91Å
79L95.9Very high94.7Very high47 Ų4744.3 Ų44.325%0.24625%0.248CC..Hα-helixtrans-74-35.2-179.9-161.865.1000112F62 W73 Y75 D77 K81 L82 V83F62-L79 HydrophobicContact CD1-CD2 3.55Å; F62-L79 HydrophobicContact CE1-CD2 3.39Å; F62-L79 HydrophobicContact CE2-CD2 4.44Å; F62-L79 HydrophobicContact CG-CD2 4.17Å; F62-L79 HydrophobicContact CZ-CD2 3.87Å; W73-L79 HydrophobicContact CZ2-CB 4.14Å; W73-L79 HydrophobicContact CZ2-CD2 4.47Å; W73-L79 HydrophobicContact CZ2-CG 4.16Å; Y75-L79 HydrophobicContact CG-CD2 4.09Å; D77-L79 VanDerWaalsContact C-N 3.34Å; D77-L79 PolarHBondContact O-N 3.41Å; L79-K81 VanDerWaalsContact C-N 3.32Å; L79-K81 PolarHBondContact O-N 3.23Å; L79-L82 PolarHBondContact O-N 3.01Å; L79-V83 HydrophobicContact CD1-CG2 4.12Å; L79-V83 HydrophobicContact CG-CG2 4.03Å; L79-V83 WeakPolarHBondContact O-CB 3.48Å; L79-V83 WeakPolarHBondContact O-CG2 3.28Å; L79-V83 PolarHBondContact O-N 3.44Å
80C96.4Very high94.9Very high0 Ų041.2 Ų41.20%023%0.232CC..Hα-helixtrans-55-50.3171.7161.20000110.2W73 G76 D77 N84 V148 C159W73-C80 HydrophobicContact CD2-CB 4.3Å; W73-C80 VanDerWaalsContact CZ2-CA 3.41Å; W73-C80 HydrophobicContact CZ2-CB 4.07Å; W73-C80 VanDerWaalsContact CZ2-N 3.32Å; G76-C80 PolarHBondContact O-N 2.92Å; D77-C80 WeakPolarHBondContact O-CB 3.28Å; D77-C80 PolarHBondContact O-N 3.45Å; C80-N84 WeakPolarHBondContact O-CB 3.33Å; C80-N84 PolarHBondContact O-N 3.42Å; C80-N84 PolarHBondContact O-ND2 3.42Å; C80-V148 HydrophobicContact CB-CG2 3.64Å; C80-C159 HydrophobicContact CB-CB 3.83Å; C80-C159 WeakPolarHBondContact CB-SG 3.44Å; C80-C159 WeakPolarHBondContact SG-CB 3.38Å; C80-C159 CovalentContact SG-SG 2.03Å; C80-C159 PolarHBondContact SG-SG 2.77Å
81K96.7Very high95.2Very high56 Ų5635.3 Ų35.324%0.24320%0.204CC..Hα-helixtrans-63-47.9177.2-77.2175.1175.2163.70112.6D77 A78 L79 S85 L143 R146D77-K81 WeakPolarHBondContact O-CG 3.45Å; D77-K81 PolarHBondContact O-N 2.92Å; D77-K81 WeakPolarHBondContact OD2-CD 3.26Å; D77-K81 WeakPolarHBondContact OD2-CE 3.34Å; D77-K81 IonicContact OD2-NZ 3.92Å; D77-K81 PolarHBondContact OD2-NZ 3.11Å; A78-K81 PolarHBondContact O-N 3.3Å; L79-K81 VanDerWaalsContact C-N 3.32Å; L79-K81 PolarHBondContact O-N 3.23Å; K81-S85 WeakPolarHBondContact O-CB 3.42Å; K81-S85 PolarHBondContact O-N 3.5Å; K81-S85 PolarHBondContact O-OG 2.95Å; K81-L143 HydrophobicContact CB-CD1 4Å; K81-L143 WeakPolarHBondContact CD-O 3.39Å; K81-L143 WeakPolarHBondContact CE-O 3.44Å; K81-R146 WeakPolarHBondContact CE-O 3.36Å; K81-R146 HydrophobicContact CG-CB 4.08Å; K81-R146 WeakPolarHBondContact CG-O 3.44Å
82L95.9Very high95.5Very high109 Ų10933 Ų3357%0.57119%0.194SC*.Hα-helixtrans-64.9-49.2-176.2-173.6147000112.1A78 L79 N84 S85 N86A78-L82 WeakPolarHBondContact O-CB 3.28Å; A78-L82 PolarHBondContact O-N 2.91Å; L79-L82 PolarHBondContact O-N 3.01Å; L82-N84 VanDerWaalsContact C-N 3.35Å; L82-N84 PolarHBondContact O-N 2.9Å; L82-S85 PolarHBondContact O-N 3.41Å; L82-N86 WeakPolarHBondContact O-CB 3.43Å; L82-N86 PolarHBondContact O-N 3.47Å
83V96.1Very high95.6Very high3 Ų330.9 Ų30.92%0.01818%0.182CC..Hα-helixtrans-61.9-44-1791710000110.9G59 F62 W73 L79 I87G59-V83 WeakPolarHBondContact O-CG1 3.43Å; F62-V83 HydrophobicContact CB-CG2 4.26Å; F62-V83 HydrophobicContact CD2-CG2 4.01Å; F62-V83 HydrophobicContact CG-CG2 4.29Å; W73-V83 HydrophobicContact CH2-CB 4.26Å; W73-V83 HydrophobicContact CH2-CG1 4.47Å; W73-V83 HydrophobicContact CH2-CG2 4.27Å; L79-V83 HydrophobicContact CD1-CG2 4.12Å; L79-V83 HydrophobicContact CG-CG2 4.03Å; L79-V83 WeakPolarHBondContact O-CB 3.48Å; L79-V83 WeakPolarHBondContact O-CG2 3.28Å; L79-V83 PolarHBondContact O-N 3.44Å; V83-I87 PolarHBondContact O-N 2.89Å
84N95.4Very high95.6Very high11 Ų1130.6 Ų30.66%0.05918%0.181CC..Hα-helixtrans-72.1-39.7-179.7-77.2-88.7000112.9W63 C80 L82 N86 I87 V88 T142 R146 C159W63-N84 VanDerWaalsContact CZ2-OD1 3.29Å; W63-N84 WeakPolarHBondContact CZ2-OD1 3.48Å; C80-N84 WeakPolarHBondContact O-CB 3.33Å; C80-N84 PolarHBondContact O-N 3.42Å; C80-N84 PolarHBondContact O-ND2 3.42Å; L82-N84 VanDerWaalsContact C-N 3.35Å; L82-N84 PolarHBondContact O-N 2.9Å; N84-N86 VanDerWaalsContact C-N 3.29Å; N84-N86 PolarHBondContact O-N 3.41Å; N84-I87 WeakPolarHBondContact O-CB 3.02Å; N84-I87 PolarHBondContact O-N 2.88Å; N84-V88 PolarHBondContact O-N 3.46Å; N84-T142 HydrophobicContact CB-CG2 4.09Å; N84-R146 HydrophobicContact CB-CG 3.92Å; N84-R146 VanDerWaalsContact CG-NE 3.26Å; N84-R146 VanDerWaalsContact OD1-CZ 3.23Å; N84-R146 PolarHBondContact OD1-NE 3.47Å; N84-R146 VanDerWaalsContact OD1-NE 3.13Å; N84-R146 PolarHBondContact OD1-NH2 3.33Å; N84-C159 PolarHBondContact ND2-SG 3.18Å
85S96.1Very high95.7Very high5 Ų526.8 Ų26.84%0.03515%0.154CC..Hα-helixtrans-65.8-37176.4-55.10000110.9K81 L82 I87 V88 I89 L143K81-S85 WeakPolarHBondContact O-CB 3.42Å; K81-S85 PolarHBondContact O-N 3.5Å; K81-S85 PolarHBondContact O-OG 2.95Å; L82-S85 PolarHBondContact O-N 3.41Å; S85-I87 VanDerWaalsContact C-N 3.3Å; S85-I87 PolarHBondContact O-N 3.41Å; S85-V88 PolarHBondContact O-N 2.94Å; S85-I89 VanDerWaalsContact O-CG1 3.27Å; S85-I89 WeakPolarHBondContact O-CG1 3.21Å; S85-I89 PolarHBondContact O-N 3.47Å; S85-L143 WeakPolarHBondContact OG-CA 3.34Å; S85-L143 WeakPolarHBondContact OG-CD1 3.47Å
86N96.4Very high95.8Very high22 Ų2224 Ų2412%0.11814%0.143CC..Hα-helixtrans-63.2-32.3177.3-17349.5000113.3L55 L56 L82 N84 V88 I89 N90L55-N86 PolarHBondContact O-ND2 3.21Å; L56-N86 WeakPolarHBondContact CA-ND2 3.31Å; L56-N86 PolarHBondContact N-ND2 3.06Å; L82-N86 WeakPolarHBondContact O-CB 3.43Å; L82-N86 PolarHBondContact O-N 3.47Å; N84-N86 VanDerWaalsContact C-N 3.29Å; N84-N86 PolarHBondContact O-N 3.41Å; N86-V88 VanDerWaalsContact C-N 3.33Å; N86-I89 PolarHBondContact O-N 3.1Å; N86-N90 WeakPolarHBondContact O-CB 3.24Å; N86-N90 PolarHBondContact O-N 3.4Å
87I95.3Very high95.7Very high20 Ų2022.2 Ų22.210%0.10313%0.125CC..Hα-helixtrans-59.6-46.9170-66.6164.4000110.6L56 W63 V83 N84 S85 N90 F91 W232 F271L56-I87 HydrophobicContact CD1-CB 4.25Å; L56-I87 HydrophobicContact CD1-CG1 3.53Å; W63-I87 VanDerWaalsContact NE1-CD1 3.35Å; V83-I87 PolarHBondContact O-N 2.89Å; N84-I87 WeakPolarHBondContact O-CB 3.02Å; N84-I87 PolarHBondContact O-N 2.88Å; S85-I87 VanDerWaalsContact C-N 3.3Å; S85-I87 PolarHBondContact O-N 3.41Å; I87-N90 PolarHBondContact O-N 2.85Å; I87-F91 WeakPolarHBondContact O-CB 3.49Å; I87-F91 PolarHBondContact O-N 3.38Å; I87-W232 HydrophobicContact CG2-CH2 4.42Å; I87-F271 HydrophobicContact CD1-CE1 4.12Å; I87-F271 HydrophobicContact CD1-CZ 3.89Å; I87-F271 HydrophobicContact CG1-CE1 4.12Å; I87-F271 HydrophobicContact CG1-CZ 4.37Å; I87-F271 HydrophobicContact CG2-CE1 3.9Å
88V95.4Very high95.5Very high13 Ų1319.7 Ų19.78%0.07911%0.111CC..Hα-helixtrans-69.4-40.5-179.1179.90000111.5N84 S85 N86 F91 Y92 T142N84-V88 PolarHBondContact O-N 3.46Å; S85-V88 PolarHBondContact O-N 2.94Å; N86-V88 VanDerWaalsContact C-N 3.33Å; V88-F91 PolarHBondContact O-N 3.3Å; V88-Y92 HydrophobicContact CG1-CD2 3.62Å; V88-Y92 HydrophobicContact CG1-CE2 3.37Å; V88-Y92 WeakPolarHBondContact O-CD2 3.28Å; V88-Y92 PolarHBondContact O-N 3.18Å; V88-T142 HydrophobicContact CG2-CG2 4.24Å
89I97Very high95.4Very high15 Ų1516.3 Ų16.38%0.0778%0.083CC..Hα-helixtrans-61.3-45.9174.7-64.8161000110.3S85 N86 T93 W132 L136 S139S85-I89 VanDerWaalsContact O-CG1 3.27Å; S85-I89 WeakPolarHBondContact O-CG1 3.21Å; S85-I89 PolarHBondContact O-N 3.47Å; N86-I89 PolarHBondContact O-N 3.1Å; I89-T93 WeakPolarHBondContact O-CB 3.18Å; I89-T93 PolarHBondContact O-N 3.15Å; I89-T93 PolarHBondContact O-OG1 2.71Å; I89-W132 HydrophobicContact CG2-CE3 3.86Å; I89-W132 HydrophobicContact CG2-CZ3 3.59Å; I89-L136 HydrophobicContact CD1-CD2 3.58Å; I89-L136 HydrophobicContact CD1-CG 4.46Å; I89-L136 HydrophobicContact CG1-CD2 4.26Å; I89-S139 WeakPolarHBondContact CG1-OG 3.47Å
90N96.6Very high95.2Very high1 Ų116.6 Ų16.61%0.0058%0.083CC..Hα-helixtrans-59.4-48176.1170.2-84.2000111.1A52 D53 L56 N86 I87 Y92 T93 S94A52-N90 PolarHBondContact O-ND2 3.25Å; D53-N90 WeakPolarHBondContact CA-ND2 3.41Å; D53-N90 PolarHBondContact N-ND2 3Å; D53-N90 PolarHBondContact OD1-ND2 3.47Å; L56-N90 HydrophobicContact CB-CB 3.85Å; L56-N90 HydrophobicContact CD2-CB 4.04Å; L56-N90 VanDerWaalsContact CD2-CG 3.5Å; L56-N90 WeakPolarHBondContact CD2-OD1 3.4Å; L56-N90 HydrophobicContact CG-CB 4.44Å; N86-N90 WeakPolarHBondContact O-CB 3.24Å; N86-N90 PolarHBondContact O-N 3.4Å; I87-N90 PolarHBondContact O-N 2.85Å; N90-Y92 PolarHBondContact O-N 3.23Å; N90-T93 PolarHBondContact O-N 3.01Å; N90-S94 WeakPolarHBondContact O-CB 3.14Å; N90-S94 PolarHBondContact O-N 2.87Å; N90-S94 PolarHBondContact O-OG 3.4Å
91F95.2Very high94.8Very high1 Ų117.4 Ų17.40%0.0049%0.088CC..Hα-helixtrans-54.4-55.6179.8170.4-116.4000111.7I87 V88 S94 I95 M177 G181 F228 W232I87-F91 WeakPolarHBondContact O-CB 3.49Å; I87-F91 PolarHBondContact O-N 3.38Å; V88-F91 PolarHBondContact O-N 3.3Å; F91-S94 PolarHBondContact O-N 3.49Å; F91-I95 WeakPolarHBondContact O-CG2 3.23Å; F91-I95 PolarHBondContact O-N 3.43Å; F91-M177 HydrophobicContact CD1-CE 4.01Å; F91-M177 HydrophobicContact CE1-CE 3.99Å; F91-M177 HydrophobicContact CE1-CG 4.13Å; F91-G181 WeakPolarHBondContact CZ-O 3.43Å; F91-F228 AromaticContact CD2-CZ 3.88Å; F91-F228 HydrophobicContact CD2-CZ 3.88Å; F91-F228 HydrophobicContact CE2-CE1 4.3Å; F91-F228 AromaticContact CE2-CZ 3.68Å; F91-F228 HydrophobicContact CE2-CZ 3.68Å; F91-W232 HydrophobicContact CB-CH2 3.68Å; F91-W232 HydrophobicContact CB-CZ2 4.06Å; F91-W232 HydrophobicContact CB-CZ3 3.99Å; F91-W232 AromaticContact CD2-CD2 3.46Å; F91-W232 HydrophobicContact CD2-CD2 3.46Å; F91-W232 VanDerWaalsContact CD2-CD2 3.46Å; F91-W232 AromaticContact CD2-CE2 3.81Å; F91-W232 AromaticContact CD2-CE3 3.29Å; F91-W232 HydrophobicContact CD2-CE3 3.29Å; F91-W232 HydrophobicContact CD2-CG 4.15Å; F91-W232 AromaticContact CD2-CH2 3.86Å; F91-W232 HydrophobicContact CD2-CH2 3.86Å; F91-W232 HydrophobicContact CD2-CZ2 4Å; F91-W232 AromaticContact CD2-CZ3 3.51Å; F91-W232 HydrophobicContact CD2-CZ3 3.51Å; F91-W232 HydrophobicContact CE2-CB 4.34Å; F91-W232 AromaticContact CE2-CD2 3.83Å; F91-W232 HydrophobicContact CE2-CD2 3.83Å; F91-W232 AromaticContact CE2-CE3 3.62Å; F91-W232 HydrophobicContact CE2-CE3 3.62Å; F91-W232 HydrophobicContact CE2-CG 4.17Å; F91-W232 HydrophobicContact CE2-CZ3 4.2Å; F91-W232 HydrophobicContact CG-CE3 4.14Å; F91-W232 HydrophobicContact CG-CH2 4.08Å; F91-W232 HydrophobicContact CG-CZ2 4.48Å; F91-W232 AromaticContact CG-CZ3 3.89Å; F91-W232 HydrophobicContact CG-CZ3 3.89Å
92Y96.4Very high94.4Very high0 Ų014.9 Ų14.90%08%0.077CC..Hα-helixtrans-64.9-45.3179.4-72.9-60.7000112.3V88 N90 S94 I95 Y96 L138 M177 L180V88-Y92 HydrophobicContact CG1-CD2 3.62Å; V88-Y92 HydrophobicContact CG1-CE2 3.37Å; V88-Y92 WeakPolarHBondContact O-CD2 3.28Å; V88-Y92 PolarHBondContact O-N 3.18Å; N90-Y92 PolarHBondContact O-N 3.23Å; Y92-S94 PolarHBondContact O-N 3.25Å; Y92-I95 WeakPolarHBondContact O-CG2 3.38Å; Y92-I95 PolarHBondContact O-N 3.4Å; Y92-Y96 HydrophobicContact CD1-CD2 4.48Å; Y92-Y96 AromaticContact CD1-CE2 3.93Å; Y92-Y96 HydrophobicContact CD1-CE2 3.93Å; Y92-Y96 WeakPolarHBondContact O-CB 3.31Å; Y92-Y96 WeakPolarHBondContact O-CD2 3.47Å; Y92-Y96 PolarHBondContact O-N 3.36Å; Y92-L138 HydrophobicContact CD1-CD1 3.53Å; Y92-L138 HydrophobicContact CD2-CB 3.57Å; Y92-L138 HydrophobicContact CD2-CD1 4.05Å; Y92-L138 HydrophobicContact CD2-CG 4.48Å; Y92-L138 HydrophobicContact CE1-CB 4.4Å; Y92-L138 HydrophobicContact CE1-CD1 3.46Å; Y92-L138 VanDerWaalsContact CE1-CD1 3.46Å; Y92-L138 HydrophobicContact CE2-CB 3.38Å; Y92-L138 HydrophobicContact CE2-CD1 3.99Å; Y92-L138 HydrophobicContact CE2-CG 4.35Å; Y92-L138 HydrophobicContact CG-CB 4.18Å; Y92-L138 HydrophobicContact CG-CD1 3.83Å; Y92-M177 WeakPolarHBondContact OH-CA 3.5Å; Y92-L180 HydrophobicContact CE1-CB 4.4Å
93T96.2Very high94.1Very high0 Ų012.1 Ų12.10%06%0.062CC..Hα-helixtrans-60.1-40.2179.6-59.30000110.9A52 I89 N90 T97 V131 W132A52-T93 HydrophobicContact CB-CG2 3.78Å; I89-T93 WeakPolarHBondContact O-CB 3.18Å; I89-T93 PolarHBondContact O-N 3.15Å; I89-T93 PolarHBondContact O-OG1 2.71Å; N90-T93 PolarHBondContact O-N 3.01Å; T93-T97 VanDerWaalsContact O-CB 3.24Å; T93-T97 WeakPolarHBondContact O-CB 2.99Å; T93-T97 PolarHBondContact O-N 3.45Å; T93-T97 PolarHBondContact O-OG1 3.5Å; T93-V131 HydrophobicContact CG2-CG1 3.98Å; T93-W132 HydrophobicContact CG2-CD2 4.32Å; T93-W132 HydrophobicContact CG2-CZ2 4.14Å
94S94.6Very high93.6Very high0 Ų012.3 Ų12.30%06%0.063CC..Hα-helixtrans-66.7-53.5-179.8-61.80000111.8L49 N90 F91 Y92 Y96 T97 L98L49-S94 VanDerWaalsContact CD1-OG 3.32Å; L49-S94 WeakPolarHBondContact CD1-OG 3.23Å; N90-S94 WeakPolarHBondContact O-CB 3.14Å; N90-S94 PolarHBondContact O-N 2.87Å; N90-S94 PolarHBondContact O-OG 3.4Å; F91-S94 PolarHBondContact O-N 3.49Å; Y92-S94 PolarHBondContact O-N 3.25Å; S94-Y96 PolarHBondContact O-N 3.41Å; S94-T97 WeakPolarHBondContact O-CB 3.49Å; S94-T97 PolarHBondContact O-N 3.46Å; S94-L98 WeakPolarHBondContact O-CG 3.01Å; S94-L98 PolarHBondContact O-N 3.45Å
95I94.4Very high93.1Very high1 Ų113.3 Ų13.31%0.0057%0.066CC..Hα-helixtrans-65.6-40.7-176.7-168.847.2000112.4F91 Y92 T97 L98 V99 P185 I189 F228F91-I95 WeakPolarHBondContact O-CG2 3.23Å; F91-I95 PolarHBondContact O-N 3.43Å; Y92-I95 WeakPolarHBondContact O-CG2 3.38Å; Y92-I95 PolarHBondContact O-N 3.4Å; I95-T97 VanDerWaalsContact C-N 3.32Å; I95-T97 PolarHBondContact O-N 3.23Å; I95-L98 HydrophobicContact CD1-CD1 4.39Å; I95-L98 WeakPolarHBondContact O-CB 3.19Å; I95-L98 PolarHBondContact O-N 2.78Å; I95-L98 VanDerWaalsContact O-N 3.15Å; I95-V99 WeakPolarHBondContact O-CG2 3.38Å; I95-V99 PolarHBondContact O-N 2.92Å; I95-P185 HydrophobicContact CD1-CB 3.87Å; I95-P185 HydrophobicContact CG1-CB 3.36Å; I95-P185 HydrophobicContact CG1-CG 3.78Å; I95-P185 HydrophobicContact CG2-CG 4.29Å; I95-I189 HydrophobicContact CD1-CD1 3.95Å; I95-F228 HydrophobicContact CB-CE1 3.95Å; I95-F228 HydrophobicContact CB-CE2 4.08Å; I95-F228 HydrophobicContact CB-CZ 3.54Å; I95-F228 HydrophobicContact CD1-CD1 3.66Å; I95-F228 HydrophobicContact CD1-CE1 3.44Å; I95-F228 VanDerWaalsContact CD1-CE1 3.44Å; I95-F228 HydrophobicContact CD1-CG 4.35Å; I95-F228 HydrophobicContact CD1-CZ 3.95Å; I95-F228 HydrophobicContact CG1-CD1 4.5Å; I95-F228 HydrophobicContact CG1-CE1 3.8Å; I95-F228 HydrophobicContact CG1-CZ 3.94Å
96Y95.9Very high92.6Very high25 Ų2515.1 Ų15.110%0.0987%0.072CC..Hα-helixtrans-71-28.9176.5-75.6-67.6000112.3Y92 S94 L98 V99 M100 F134 L138 L180 P185Y92-Y96 HydrophobicContact CD1-CD2 4.48Å; Y92-Y96 AromaticContact CD1-CE2 3.93Å; Y92-Y96 HydrophobicContact CD1-CE2 3.93Å; Y92-Y96 WeakPolarHBondContact O-CB 3.31Å; Y92-Y96 WeakPolarHBondContact O-CD2 3.47Å; Y92-Y96 PolarHBondContact O-N 3.36Å; S94-Y96 PolarHBondContact O-N 3.41Å; Y96-L98 VanDerWaalsContact C-N 3.34Å; Y96-V99 PolarHBondContact O-N 2.73Å; Y96-M100 WeakPolarHBondContact O-CG 3.45Å; Y96-M100 PolarHBondContact O-N 3.29Å; Y96-F134 AromaticContact CD2-CD1 3.97Å; Y96-F134 HydrophobicContact CD2-CD1 3.97Å; Y96-F134 HydrophobicContact CD2-CE1 4.18Å; Y96-F134 HydrophobicContact CE1-CE1 4.38Å; Y96-F134 AromaticContact CE2-CD1 3.67Å; Y96-F134 HydrophobicContact CE2-CD1 3.67Å; Y96-F134 AromaticContact CE2-CE1 3.41Å; Y96-F134 HydrophobicContact CE2-CE1 3.41Å; Y96-F134 VanDerWaalsContact CE2-CE1 3.41Å; Y96-F134 AromaticContact CZ-CE1 3.52Å; Y96-F134 WeakPolarHBondContact OH-CE1 3.34Å; Y96-L138 HydrophobicContact CE2-CD1 4.43Å; Y96-L180 PolarHBondContact OH-O 2.92Å; Y96-P185 HydrophobicContact CE1-CG 4.23Å
97T93.5Very high92Very high1 Ų115.2 Ų15.21%0.0067%0.073CC..Hα-helixtrans-62.9-42.2168.6-60.60000110.9Y45 N48 L49 T93 S94 I95 M100 I101Y45-T97 HydrophobicContact CD1-CG2 4.38Å; Y45-T97 HydrophobicContact CG-CG2 4.43Å; Y45-T97 WeakPolarHBondContact O-CG2 3.44Å; N48-T97 PolarHBondContact ND2-OG1 2.92Å; L49-T97 HydrophobicContact CB-CG2 4.32Å; T93-T97 VanDerWaalsContact O-CB 3.24Å; T93-T97 WeakPolarHBondContact O-CB 2.99Å; T93-T97 PolarHBondContact O-N 3.45Å; T93-T97 PolarHBondContact O-OG1 3.5Å; S94-T97 WeakPolarHBondContact O-CB 3.49Å; S94-T97 PolarHBondContact O-N 3.46Å; I95-T97 VanDerWaalsContact C-N 3.32Å; I95-T97 PolarHBondContact O-N 3.23Å; T97-M100 PolarHBondContact O-N 3.31Å; T97-I101 HydrophobicContact CG2-CD1 4.05Å; T97-I101 VanDerWaalsContact O-CG1 3.29Å; T97-I101 WeakPolarHBondContact O-CG1 3.45Å; T97-I101 PolarHBondContact O-N 2.99Å
98L90.9Very high91.4Very high4 Ų414.9 Ų14.92%0.0217%0.073CC..Hα-helixtrans-64.3-40.9175.4-63.3177.3000112.6L49 S94 I95 Y96 M100 I101 S102 I189 V224 F228L49-L98 HydrophobicContact CD2-CD2 4.23Å; S94-L98 WeakPolarHBondContact O-CG 3.01Å; S94-L98 PolarHBondContact O-N 3.45Å; I95-L98 HydrophobicContact CD1-CD1 4.39Å; I95-L98 WeakPolarHBondContact O-CB 3.19Å; I95-L98 PolarHBondContact O-N 2.78Å; I95-L98 VanDerWaalsContact O-N 3.15Å; Y96-L98 VanDerWaalsContact C-N 3.34Å; L98-M100 VanDerWaalsContact C-N 3.31Å; L98-M100 PolarHBondContact O-N 2.81Å; L98-I101 HydrophobicContact CD2-CD1 4.35Å; L98-I101 PolarHBondContact O-N 2.63Å; L98-S102 WeakPolarHBondContact O-CB 3.07Å; L98-S102 PolarHBondContact O-N 2.94Å; L98-S102 PolarHBondContact O-OG 3.23Å; L98-S102 VanDerWaalsContact O-OG 3.11Å; L98-I189 HydrophobicContact CB-CD1 4.26Å; L98-V224 HydrophobicContact CD2-CB 4.37Å; L98-V224 HydrophobicContact CD2-CG1 3.44Å; L98-V224 VanDerWaalsContact CD2-CG1 3.44Å; L98-F228 HydrophobicContact CD1-CB 3.57Å; L98-F228 HydrophobicContact CD1-CD1 4.45Å; L98-F228 HydrophobicContact CD1-CD2 3.82Å; L98-F228 HydrophobicContact CD1-CG 3.68Å
99V93.3Very high90.6Very high8 Ų814.4 Ų14.45%0.0487%0.07CC..Hα-helixtrans-55.7-47.6171.8169.30000110.7I95 Y96 I101 S102 I103 P185 V188 I189I95-V99 WeakPolarHBondContact O-CG2 3.38Å; I95-V99 PolarHBondContact O-N 2.92Å; Y96-V99 PolarHBondContact O-N 2.73Å; V99-I101 PolarHBondContact O-N 2.96Å; V99-S102 PolarHBondContact O-N 3.06Å; V99-I103 HydrophobicContact CG1-CD1 3.73Å; V99-I103 HydrophobicContact CG1-CG1 4.42Å; V99-I103 VanDerWaalsContact O-CG1 3.32Å; V99-I103 WeakPolarHBondContact O-CG1 3.3Å; V99-I103 PolarHBondContact O-N 3.47Å; V99-P185 HydrophobicContact CG2-CB 3.62Å; V99-V188 HydrophobicContact CG1-CB 4.28Å; V99-V188 HydrophobicContact CG1-CG1 3.69Å; V99-I189 HydrophobicContact CG2-CD1 4.01Å; V99-I189 HydrophobicContact CG2-CG1 3.97Å
100M91.8Very high89.8Confident53 Ų5315.7 Ų15.726%0.2618%0.078SC..Hα-helixtrans-68-35.7-178.7-66.2-63.6166.900112.7Y45 Y96 T97 L98 I103 D104 T127Y45-M100 HydrophobicContact CE1-CB 4.02Å; Y45-M100 HydrophobicContact CE2-CB 4.32Å; Y96-M100 WeakPolarHBondContact O-CG 3.45Å; Y96-M100 PolarHBondContact O-N 3.29Å; T97-M100 PolarHBondContact O-N 3.31Å; L98-M100 VanDerWaalsContact C-N 3.31Å; L98-M100 PolarHBondContact O-N 2.81Å; M100-I103 PolarHBondContact O-N 3.38Å; M100-I103 HydrophobicContact SD-CD1 4.33Å; M100-D104 WeakPolarHBondContact O-CB 3.2Å; M100-D104 PolarHBondContact O-N 2.72Å; M100-T127 HydrophobicContact CB-CG2 4.21Å; M100-T127 HydrophobicContact CE-CG2 4.13Å; M100-T127 HydrophobicContact CG-CG2 3.51Å; M100-T127 HydrophobicContact SD-CG2 3.63Å
101I88.3Confident88.9Confident18 Ų1820.7 Ų20.79%0.09210%0.1CC..Hα-helixtrans-61.6-48.1171.3-69.8166.2000110.1Y45 T97 L98 V99 I103 D104 R105 V221Y45-I101 HydrophobicContact CD2-CG1 3.77Å; Y45-I101 HydrophobicContact CG-CG1 3.94Å; T97-I101 HydrophobicContact CG2-CD1 4.05Å; T97-I101 VanDerWaalsContact O-CG1 3.29Å; T97-I101 WeakPolarHBondContact O-CG1 3.45Å; T97-I101 PolarHBondContact O-N 2.99Å; L98-I101 HydrophobicContact CD2-CD1 4.35Å; L98-I101 PolarHBondContact O-N 2.63Å; V99-I101 PolarHBondContact O-N 2.96Å; I101-I103 VanDerWaalsContact C-N 3.35Å; I101-I103 PolarHBondContact O-N 3.37Å; I101-D104 PolarHBondContact O-N 3.44Å; I101-R105 WeakPolarHBondContact O-CG 2.97Å; I101-R105 PolarHBondContact O-N 3.46Å; I101-V221 HydrophobicContact CG2-CB 4.25Å; I101-V221 HydrophobicContact CG2-CG1 3.85Å; I101-V221 HydrophobicContact CG2-CG2 3.37Å
102S88Confident87.6Confident2 Ų224.3 Ų24.31%0.01412%0.123CC..Hα-helixtrans-62-40.7178.9-650000112.3L98 V99 R105 Y106 S192L98-S102 WeakPolarHBondContact O-CB 3.07Å; L98-S102 PolarHBondContact O-N 2.94Å; L98-S102 PolarHBondContact O-OG 3.23Å; L98-S102 VanDerWaalsContact O-OG 3.11Å; V99-S102 PolarHBondContact O-N 3.06Å; S102-R105 PolarHBondContact O-N 2.83Å; S102-Y106 WeakPolarHBondContact O-CB 3.35Å; S102-Y106 PolarHBondContact O-N 2.85Å; S102-S192 WeakPolarHBondContact CB-OG 3.48Å
103I88.9Confident86.1Confident51 Ų5132.6 Ų32.626%0.26216%0.164SC..Hα-helixtrans-64.4-47.3173.7-68.7168.4000111V99 M100 I101 R105 Y106 L107 V188V99-I103 HydrophobicContact CG1-CD1 3.73Å; V99-I103 HydrophobicContact CG1-CG1 4.42Å; V99-I103 VanDerWaalsContact O-CG1 3.32Å; V99-I103 WeakPolarHBondContact O-CG1 3.3Å; V99-I103 PolarHBondContact O-N 3.47Å; M100-I103 PolarHBondContact O-N 3.38Å; M100-I103 HydrophobicContact SD-CD1 4.33Å; I101-I103 VanDerWaalsContact C-N 3.35Å; I101-I103 PolarHBondContact O-N 3.37Å; I103-R105 VanDerWaalsContact C-N 3.27Å; I103-R105 PolarHBondContact O-N 3.45Å; I103-Y106 WeakPolarHBondContact O-CB 3.3Å; I103-Y106 PolarHBondContact O-N 3.01Å; I103-Y106 VanDerWaalsContact O-N 3.15Å; I103-L107 HydrophobicContact CG2-CD1 3.87Å; I103-L107 HydrophobicContact CG2-CG 4.21Å; I103-L107 VanDerWaalsContact O-CG 3.28Å; I103-L107 WeakPolarHBondContact O-CG 3.18Å; I103-L107 PolarHBondContact O-N 2.91Å; I103-V188 HydrophobicContact CD1-CG1 4.08Å; I103-V188 HydrophobicContact CG1-CG1 4.18Å
104D85.8Confident84.3Confident8 Ų839.7 Ų39.74%0.04320%0.198CC..Hα-helixtrans-58-40.6177.6168.469000111.5Y45 M100 I101 L107 A108 R119Y45-D104 HydrophobicContact CE2-CB 4.38Å; M100-D104 WeakPolarHBondContact O-CB 3.2Å; M100-D104 PolarHBondContact O-N 2.72Å; I101-D104 PolarHBondContact O-N 3.44Å; D104-L107 PolarHBondContact O-N 2.95Å; D104-A108 VanDerWaalsContact O-CB 3.29Å; D104-A108 WeakPolarHBondContact O-CB 3.36Å; D104-A108 PolarHBondContact O-N 3.22Å; D104-R119 WeakPolarHBondContact OD1-CG 3.37Å; D104-R119 IonicContact OD1-NE 3.17Å; D104-R119 PolarHBondContact OD1-NE 3.32Å
105R84.2Confident82.9Confident32 Ų3240.1 Ų40.112%0.12120%0.202CC..Hα-helixtrans-66-43.3174.5-66.7-55.884.5-169.57.6112.7I101 S102 I103 L107 A108 L109 I196 V221I101-R105 WeakPolarHBondContact O-CG 2.97Å; I101-R105 PolarHBondContact O-N 3.46Å; S102-R105 PolarHBondContact O-N 2.83Å; I103-R105 VanDerWaalsContact C-N 3.27Å; I103-R105 PolarHBondContact O-N 3.45Å; R105-L107 VanDerWaalsContact C-N 3.33Å; R105-L107 PolarHBondContact O-N 3.42Å; R105-A108 WeakPolarHBondContact O-CB 3.36Å; R105-A108 PolarHBondContact O-N 2.57Å; R105-L109 PolarHBondContact O-N 3.41Å; R105-I196 HydrophobicContact CB-CD1 4.01Å; R105-V221 HydrophobicContact CG-CG2 3.95Å
106Y85.7Confident81.7Confident42 Ų4250.1 Ų50.117%0.16524%0.24CC..Hα-helixtrans-58.3-46.6174.9167.6-99000111.4S102 I103 A108 L109 V110 K111 N195 I196S102-Y106 WeakPolarHBondContact O-CB 3.35Å; S102-Y106 PolarHBondContact O-N 2.85Å; I103-Y106 WeakPolarHBondContact O-CB 3.3Å; I103-Y106 PolarHBondContact O-N 3.01Å; I103-Y106 VanDerWaalsContact O-N 3.15Å; Y106-A108 VanDerWaalsContact C-N 3.33Å; Y106-A108 PolarHBondContact O-N 2.89Å; Y106-L109 PolarHBondContact O-N 2.89Å; Y106-V110 HydrophobicContact CD2-CB 3.87Å; Y106-V110 HydrophobicContact CD2-CG1 4.4Å; Y106-V110 HydrophobicContact CD2-CG2 3.61Å; Y106-V110 HydrophobicContact CE2-CB 3.68Å; Y106-V110 HydrophobicContact CE2-CG1 3.73Å; Y106-V110 HydrophobicContact CE2-CG2 3.79Å; Y106-V110 HydrophobicContact CG-CG2 4.48Å; Y106-V110 WeakPolarHBondContact O-CA 3.42Å; Y106-V110 VanDerWaalsContact O-CB 3.26Å; Y106-V110 WeakPolarHBondContact O-CB 3.46Å; Y106-V110 PolarHBondContact O-N 3.27Å; Y106-K111 HydrophobicContact CE1-CG 3.91Å; Y106-K111 VanDerWaalsContact OH-CE 3.3Å; Y106-K111 WeakPolarHBondContact OH-CE 3.47Å; Y106-N195 HydrophobicContact CD2-CB 3.88Å; Y106-N195 HydrophobicContact CE2-CB 3.54Å; Y106-I196 HydrophobicContact CD2-CG1 4.4Å
107L85.3Confident80.5Confident24 Ų2455.9 Ų55.913%0.12626%0.262CS..Hα-helixtrans-65.2-38.3177.7-65.1174.1000111.9I103 D104 R105 K111 T112 A115 L118I103-L107 HydrophobicContact CG2-CD1 3.87Å; I103-L107 HydrophobicContact CG2-CG 4.21Å; I103-L107 VanDerWaalsContact O-CG 3.28Å; I103-L107 WeakPolarHBondContact O-CG 3.18Å; I103-L107 PolarHBondContact O-N 2.91Å; D104-L107 PolarHBondContact O-N 2.95Å; R105-L107 VanDerWaalsContact C-N 3.33Å; R105-L107 PolarHBondContact O-N 3.42Å; L107-K111 HydrophobicContact CD2-CB 4.19Å; L107-K111 CarbonylContact O-C 3.59Å; L107-K111 PolarHBondContact O-N 2.9Å; L107-T112 PolarHBondContact O-N 2.9Å; L107-A115 HydrophobicContact CB-CB 4.22Å; L107-A115 HydrophobicContact CD1-CB 4.12Å; L107-A115 HydrophobicContact CD2-CB 3.76Å; L107-A115 HydrophobicContact CG-CB 4.24Å; L107-L118 HydrophobicContact CD1-CD2 3.67Å; L107-L118 HydrophobicContact CD1-CG 4.37Å
108A81.2Confident79.5Confident13 Ų1359.5 Ų59.511%0.10728%0.28CS..Hα-helixtrans-63.9-40.8178.100000113.1D104 R105 Y106 T112D104-A108 VanDerWaalsContact O-CB 3.29Å; D104-A108 WeakPolarHBondContact O-CB 3.36Å; D104-A108 PolarHBondContact O-N 3.22Å; R105-A108 WeakPolarHBondContact O-CB 3.36Å; R105-A108 PolarHBondContact O-N 2.57Å; Y106-A108 VanDerWaalsContact C-N 3.33Å; Y106-A108 PolarHBondContact O-N 2.89Å; A108-T112 WeakPolarHBondContact O-CG2 3.49Å
109L78.5Confident79Confident4 Ų463.8 Ų63.82%0.02130%0.296CS..Hα-helixtrans-98.9-35.9-171.1-64.8174.2000113R105 Y106 I196 R203 D214R105-L109 PolarHBondContact O-N 3.41Å; Y106-L109 PolarHBondContact O-N 2.89Å; L109-I196 HydrophobicContact CD1-CG2 3.74Å; L109-R203 PolarHBondContact O-NH2 2.68Å; L109-D214 HydrophobicContact CD2-CB 4.2Å
110V81.8Confident78.6Confident41 Ų4171.2 Ų71.225%0.24832%0.324CS..THydrogen-bonded Turntrans-100.9-36.8-172.5-170.10000112.6Y106 I196 A199Y106-V110 HydrophobicContact CD2-CB 3.87Å; Y106-V110 HydrophobicContact CD2-CG1 4.4Å; Y106-V110 HydrophobicContact CD2-CG2 3.61Å; Y106-V110 HydrophobicContact CE2-CB 3.68Å; Y106-V110 HydrophobicContact CE2-CG1 3.73Å; Y106-V110 HydrophobicContact CE2-CG2 3.79Å; Y106-V110 HydrophobicContact CG-CG2 4.48Å; Y106-V110 WeakPolarHBondContact O-CA 3.42Å; Y106-V110 VanDerWaalsContact O-CB 3.26Å; Y106-V110 WeakPolarHBondContact O-CB 3.46Å; Y106-V110 PolarHBondContact O-N 3.27Å; V110-I196 HydrophobicContact CG2-CG1 4.21Å; V110-A199 HydrophobicContact CB-CB 4.47Å; V110-A199 HydrophobicContact CG1-CB 4.36Å; V110-A199 HydrophobicContact CG2-CB 3.75Å
111K77.9Confident78.4Confident106 Ų10671.1 Ų71.146%0.46133%0.326SS..  trans-119.644.5-173.5-60.9-66.9-173176.40112.9Y106 L107 M113 M114Y106-K111 HydrophobicContact CE1-CG 3.91Å; Y106-K111 VanDerWaalsContact OH-CE 3.3Å; Y106-K111 WeakPolarHBondContact OH-CE 3.47Å; L107-K111 HydrophobicContact CD2-CB 4.19Å; L107-K111 CarbonylContact O-C 3.59Å; L107-K111 PolarHBondContact O-N 2.9Å; K111-M113 VanDerWaalsContact C-N 3.27Å; K111-M113 PolarHBondContact O-N 3.48Å; K111-M114 PolarHBondContact O-N 3.3Å
112T67.2Low78.5Confident78 Ų7875.4 Ų75.448%0.47935%0.348SS..THydrogen-bonded Turntrans-48.2-36.8-170.450.30000115.8L107 A108L107-T112 PolarHBondContact O-N 2.9Å; A108-T112 WeakPolarHBondContact O-CG2 3.49Å
113M63.8Low78.6Confident174 Ų17479.7 Ų79.786%0.85737%0.365SS*.THydrogen-bonded Turntrans-95-25.3-172.7-67.1-95.9-102.200114.5K111K111-M113 VanDerWaalsContact C-N 3.27Å; K111-M113 PolarHBondContact O-N 3.48Å
114M59.9Low78.7Confident148 Ų14877.3 Ų77.373%0.72935%0.353SS*.THydrogen-bonded Turntrans-94.3-13.3-169.2-72.2-67.7166.300114.5K111 W117K111-M114 PolarHBondContact O-N 3.3Å; M114-W117 VanDerWaalsContact O-CH2 3.24Å; M114-W117 WeakPolarHBondContact O-CH2 3.31Å; M114-W117 WeakPolarHBondContact O-CZ3 3.47Å
115A64.4Low79Confident10 Ų1083.4 Ų83.48%0.08338%0.379CS..  trans-130.425.2-169.900000114.6L107 W117 L118L107-A115 HydrophobicContact CB-CB 4.22Å; L107-A115 HydrophobicContact CD1-CB 4.12Å; L107-A115 HydrophobicContact CD2-CB 3.76Å; L107-A115 HydrophobicContact CG-CB 4.24Å; A115-W117 PolarHBondContact O-N 3.24Å; A115-L118 PolarHBondContact O-N 2.9Å
116R69.1Low79.5Confident211 Ų21185.7 Ų85.780%0.79639%0.393SS*.THydrogen-bonded Turntrans-63.2-29.1-177.7-164.7174.7-177.3-176.91.6113.1
117W71.6Confident79.9Confident146 Ų14685.1 Ų85.155%0.55339%0.393SS*.THydrogen-bonded Turntrans-70-37.1176.274.980.6000112.4M114 A115 R119 R120 Y123M114-W117 VanDerWaalsContact O-CH2 3.24Å; M114-W117 WeakPolarHBondContact O-CH2 3.31Å; M114-W117 WeakPolarHBondContact O-CZ3 3.47Å; A115-W117 PolarHBondContact O-N 3.24Å; W117-R119 PolarHBondContact O-N 3.25Å; W117-R120 WeakPolarHBondContact O-CB 3.34Å; W117-R120 VanDerWaalsContact O-CG 3.22Å; W117-R120 WeakPolarHBondContact O-CG 3.37Å; W117-R120 PolarHBondContact O-N 3.44Å; W117-Y123 WeakPolarHBondContact O-CD2 3.22Å
118L72.1Confident80.4Confident77 Ų7784.5 Ų84.540%0.40339%0.391SS..THydrogen-bonded Turntrans-69.4-19.1-176.9-163.260.4000111.8L107 A115 R120 Y123L107-L118 HydrophobicContact CD1-CD2 3.67Å; L107-L118 HydrophobicContact CD1-CG 4.37Å; A115-L118 PolarHBondContact O-N 2.9Å; L118-R120 VanDerWaalsContact C-N 3.34Å; L118-Y123 HydrophobicContact CD1-CD1 4.4Å
119R80Confident81.2Confident93 Ų9390.2 Ų90.235%0.35141%0.414SS..THydrogen-bonded Turntrans-92.917.1174.8-58.2-177.962.9-144.5-2.3113.3V41 D104 W117V41-R119 WeakPolarHBondContact CG2-O 3.34Å; D104-R119 WeakPolarHBondContact OD1-CG 3.37Å; D104-R119 IonicContact OD1-NE 3.17Å; D104-R119 PolarHBondContact OD1-NE 3.32Å; W117-R119 PolarHBondContact O-N 3.25Å
120R85.6Confident82Confident165 Ų16594 Ų9462%0.62344%0.436SS*.SBendtrans-80.8146.6169.7-65.1173.1176-158.70.8110.1W117 L118 L122 Y123 A124W117-R120 WeakPolarHBondContact O-CB 3.34Å; W117-R120 VanDerWaalsContact O-CG 3.22Å; W117-R120 WeakPolarHBondContact O-CG 3.37Å; W117-R120 PolarHBondContact O-N 3.44Å; L118-R120 VanDerWaalsContact C-N 3.34Å; R120-L122 PolarHBondContact O-N 3.47Å; R120-Y123 HydrophobicContact CB-CD2 4.16Å; R120-Y123 PolarHBondContact O-N 3.29Å; R120-Y123 VanDerWaalsContact O-N 3.08Å; R120-A124 PolarHBondContact O-N 3.11Å
121T87.8Confident82.8Confident50 Ų5092.4 Ų92.431%0.30743%0.427SS..Hα-helixtrans-61-27.2-179.454.70000113.5L39 V41 I44 A124 K125L39-T121 WeakPolarHBondContact O-CG2 3.29Å; V41-T121 HydrophobicContact CG2-CG2 4.46Å; I44-T121 HydrophobicContact CD1-CG2 4.01Å; T121-A124 PolarHBondContact O-N 3.15Å; T121-K125 WeakPolarHBondContact O-CG 3.31Å; T121-K125 PolarHBondContact O-N 2.76Å; T121-K125 VanDerWaalsContact O-N 3.13Å
122L89.6Confident83.7Confident109 Ų10989.7 Ų89.757%0.57141%0.414SS*.Hα-helixtrans-61.2-49173178.461.9000111.7R120 A124 K125 I126R120-L122 PolarHBondContact O-N 3.47Å; L122-A124 VanDerWaalsContact C-N 3.33Å; L122-A124 PolarHBondContact O-N 2.97Å; L122-K125 PolarHBondContact O-N 2.87Å; L122-I126 HydrophobicContact CD1-CD1 4.18Å; L122-I126 HydrophobicContact CG-CD1 4.01Å; L122-I126 WeakPolarHBondContact O-CG1 3.49Å; L122-I126 PolarHBondContact O-N 3.07Å
123Y89.6Confident85.2Confident92 Ų9290.6 Ų90.636%0.36141%0.414SS..Hα-helixtrans-65.8-38179-73.3-80.9000111.4W117 L118 R120 K125 I126 T127W117-Y123 WeakPolarHBondContact O-CD2 3.22Å; L118-Y123 HydrophobicContact CD1-CD1 4.4Å; R120-Y123 HydrophobicContact CB-CD2 4.16Å; R120-Y123 PolarHBondContact O-N 3.29Å; R120-Y123 VanDerWaalsContact O-N 3.08Å; Y123-K125 VanDerWaalsContact C-N 3.31Å; Y123-K125 PolarHBondContact O-N 3.38Å; Y123-I126 PolarHBondContact O-N 3.04Å; Y123-T127 WeakPolarHBondContact O-CB 3.47Å; Y123-T127 PolarHBondContact O-N 3.34Å; Y123-T127 PolarHBondContact O-OG1 3.35Å
124A91Very high86.7Confident0 Ų085.6 Ų85.60%039%0.388CS..Hα-helixtrans-57.3-43.2173.800000112.3V41 I44 Y45 R120 T121 L122 T127 C128V41-A124 HydrophobicContact CB-CB 4.34Å; V41-A124 HydrophobicContact CG1-CB 3.93Å; V41-A124 HydrophobicContact CG2-CB 4.15Å; I44-A124 HydrophobicContact CB-CB 4.25Å; I44-A124 HydrophobicContact CD1-CB 4.04Å; I44-A124 HydrophobicContact CG2-CB 4.01Å; Y45-A124 HydrophobicContact CE1-CB 4.35Å; R120-A124 PolarHBondContact O-N 3.11Å; T121-A124 PolarHBondContact O-N 3.15Å; L122-A124 VanDerWaalsContact C-N 3.33Å; L122-A124 PolarHBondContact O-N 2.97Å; A124-T127 PolarHBondContact O-N 3.09Å; A124-C128 PolarHBondContact O-N 2.94Å; A124-C128 PolarHBondContact O-SG 3.48Å
125K93.1Very high88.5Confident136 Ų13678.6 Ų78.659%0.59135%0.353SS*.Hα-helixtrans-65.2-43.9176.3-69.7177179.1-170.60112.6I44 T121 L122 Y123 T127 C128 F129I44-K125 HydrophobicContact CD1-CG 4.25Å; I44-K125 HydrophobicContact CG2-CG 4.27Å; T121-K125 WeakPolarHBondContact O-CG 3.31Å; T121-K125 PolarHBondContact O-N 2.76Å; T121-K125 VanDerWaalsContact O-N 3.13Å; L122-K125 PolarHBondContact O-N 2.87Å; Y123-K125 VanDerWaalsContact C-N 3.31Å; Y123-K125 PolarHBondContact O-N 3.38Å; K125-T127 VanDerWaalsContact C-N 3.34Å; K125-C128 PolarHBondContact O-N 3Å; K125-F129 PolarHBondContact O-N 3.49Å
126I94.6Very high90.1Very high81 Ų8181.6 Ų81.642%0.41537%0.368SS..Hα-helixtrans-61.3-45.9176.2-66.5168.1000109.8L122 Y123 C128 F129 V130L122-I126 HydrophobicContact CD1-CD1 4.18Å; L122-I126 HydrophobicContact CG-CD1 4.01Å; L122-I126 WeakPolarHBondContact O-CG1 3.49Å; L122-I126 PolarHBondContact O-N 3.07Å; Y123-I126 PolarHBondContact O-N 3.04Å; I126-C128 PolarHBondContact O-N 3.32Å; I126-F129 WeakPolarHBondContact O-CB 3.38Å; I126-F129 PolarHBondContact O-N 3.39Å; I126-V130 HydrophobicContact CG2-CG2 4.34Å; I126-V130 WeakPolarHBondContact O-CG2 3.27Å; I126-V130 PolarHBondContact O-N 2.9Å
127T93.8Very high91.4Very high29 Ų2976.3 Ų76.318%0.17836%0.355CS..Hα-helixtrans-59-46.5176.7-62.30000111.4Y45 M100 Y123 A124 K125 F129 V130 V131Y45-T127 HydrophobicContact CE1-CG2 4.1Å; M100-T127 HydrophobicContact CB-CG2 4.21Å; M100-T127 HydrophobicContact CE-CG2 4.13Å; M100-T127 HydrophobicContact CG-CG2 3.51Å; M100-T127 HydrophobicContact SD-CG2 3.63Å; Y123-T127 WeakPolarHBondContact O-CB 3.47Å; Y123-T127 PolarHBondContact O-N 3.34Å; Y123-T127 PolarHBondContact O-OG1 3.35Å; A124-T127 PolarHBondContact O-N 3.09Å; K125-T127 VanDerWaalsContact C-N 3.34Å; T127-F129 VanDerWaalsContact C-N 3.32Å; T127-F129 PolarHBondContact O-N 2.77Å; T127-V130 PolarHBondContact O-N 3.19Å; T127-V131 HydrophobicContact CG2-CG2 4.34Å; T127-V131 WeakPolarHBondContact O-CB 3.43Å; T127-V131 VanDerWaalsContact O-CG2 3.3Å; T127-V131 WeakPolarHBondContact O-CG2 3.41Å; T127-V131 PolarHBondContact O-N 3.25Å
128C96.1Very high92.5Very high11 Ų1170 Ų707%0.07433%0.331CS..Hα-helixtrans-56.5-47.7175.1-68.10000111.2N48 A124 K125 I126 V130 V131 W132N48-C128 HydrophobicContact CB-CB 4.33Å; A124-C128 PolarHBondContact O-N 2.94Å; A124-C128 PolarHBondContact O-SG 3.48Å; K125-C128 PolarHBondContact O-N 3Å; I126-C128 PolarHBondContact O-N 3.32Å; C128-V130 PolarHBondContact O-N 2.98Å; C128-V131 PolarHBondContact O-N 3.42Å; C128-W132 PolarHBondContact O-N 3.48Å
129F96.9Very high93.7Very high133 Ų13366.5 Ų66.558%0.58331%0.313SS*.Hα-helixtrans-58.7-45.5176.9176.9-98.2000112.4K125 I126 T127 V131 W132 M133K125-F129 PolarHBondContact O-N 3.49Å; I126-F129 WeakPolarHBondContact O-CB 3.38Å; I126-F129 PolarHBondContact O-N 3.39Å; T127-F129 VanDerWaalsContact C-N 3.32Å; T127-F129 PolarHBondContact O-N 2.77Å; F129-V131 VanDerWaalsContact C-N 3.33Å; F129-V131 PolarHBondContact O-N 3.49Å; F129-W132 WeakPolarHBondContact O-CB 3.22Å; F129-W132 PolarHBondContact O-N 3.19Å; F129-M133 HydrophobicContact CD1-CG 4.29Å; F129-M133 HydrophobicContact CE1-CG 3.81Å; F129-M133 HydrophobicContact CE2-CG 4.27Å; F129-M133 HydrophobicContact CE2-SD 4.25Å; F129-M133 HydrophobicContact CZ-CG 3.8Å; F129-M133 HydrophobicContact CZ-SD 3.99Å; F129-M133 WeakPolarHBondContact O-CG 3.43Å; F129-M133 PolarHBondContact O-N 3.35Å
130V96.9Very high94.3Very high83 Ų8365.7 Ų65.750%0.50332%0.316SS..Hα-helixtrans-60.9-42.4176.4170.70000111.2I126 T127 C128 W132 M133 F134I126-V130 HydrophobicContact CG2-CG2 4.34Å; I126-V130 WeakPolarHBondContact O-CG2 3.27Å; I126-V130 PolarHBondContact O-N 2.9Å; T127-V130 PolarHBondContact O-N 3.19Å; C128-V130 PolarHBondContact O-N 2.98Å; V130-W132 VanDerWaalsContact C-N 3.32Å; V130-W132 PolarHBondContact O-N 3.33Å; V130-M133 PolarHBondContact O-N 3.19Å; V130-F134 WeakPolarHBondContact O-CB 3.4Å; V130-F134 PolarHBondContact O-N 3.47Å
131V97.1Very high94.6Very high8 Ų859.1 Ų59.15%0.04830%0.295CS..Hα-helixtrans-61.7-40.4177.1168.90000111.2T93 T127 C128 F129 F134 G135T93-V131 HydrophobicContact CG2-CG1 3.98Å; T127-V131 HydrophobicContact CG2-CG2 4.34Å; T127-V131 WeakPolarHBondContact O-CB 3.43Å; T127-V131 VanDerWaalsContact O-CG2 3.3Å; T127-V131 WeakPolarHBondContact O-CG2 3.41Å; T127-V131 PolarHBondContact O-N 3.25Å; C128-V131 PolarHBondContact O-N 3.42Å; F129-V131 VanDerWaalsContact C-N 3.33Å; F129-V131 PolarHBondContact O-N 3.49Å; V131-F134 PolarHBondContact O-N 3.25Å; V131-G135 PolarHBondContact O-N 3.05Å
132W97.9Very high94.8Very high49 Ų4957.2 Ų57.219%0.18628%0.283CS..Hα-helixtrans-62.6-47.7173.8-84.599.4000112.3N48 L51 A52 L55 I89 T93 C128 F129 V130 F134 G135 L136N48-W132 PolarHBondContact OD1-NE1 3.08Å; L51-W132 HydrophobicContact CD2-CZ2 4.14Å; L51-W132 HydrophobicContact CG-CZ2 4.09Å; A52-W132 HydrophobicContact CB-CH2 4.12Å; A52-W132 HydrophobicContact CB-CZ2 4Å; L55-W132 HydrophobicContact CD1-CH2 3.73Å; L55-W132 HydrophobicContact CD1-CZ3 4.18Å; I89-W132 HydrophobicContact CG2-CE3 3.86Å; I89-W132 HydrophobicContact CG2-CZ3 3.59Å; T93-W132 HydrophobicContact CG2-CD2 4.32Å; T93-W132 HydrophobicContact CG2-CZ2 4.14Å; C128-W132 PolarHBondContact O-N 3.48Å; F129-W132 WeakPolarHBondContact O-CB 3.22Å; F129-W132 PolarHBondContact O-N 3.19Å; V130-W132 VanDerWaalsContact C-N 3.32Å; V130-W132 PolarHBondContact O-N 3.33Å; W132-F134 PolarHBondContact O-N 3.3Å; W132-G135 PolarHBondContact O-N 3.01Å; W132-L136 WeakPolarHBondContact O-CB 3.42Å; W132-L136 WeakPolarHBondContact O-CG 3.28Å; W132-L136 PolarHBondContact O-N 2.9Å
133M97.9Very high95Very high97 Ų9755.3 Ų55.348%0.47827%0.273SS..Hα-helixtrans-61.1-37.9177.4-65.7-51.2-58.300111.6F129 V130 L136 L137F129-M133 HydrophobicContact CD1-CG 4.29Å; F129-M133 HydrophobicContact CE1-CG 3.81Å; F129-M133 HydrophobicContact CE2-CG 4.27Å; F129-M133 HydrophobicContact CE2-SD 4.25Å; F129-M133 HydrophobicContact CZ-CG 3.8Å; F129-M133 HydrophobicContact CZ-SD 3.99Å; F129-M133 WeakPolarHBondContact O-CG 3.43Å; F129-M133 PolarHBondContact O-N 3.35Å; V130-M133 PolarHBondContact O-N 3.19Å; M133-L136 HydrophobicContact SD-CD1 4.15Å; M133-L137 WeakPolarHBondContact O-CB 3.49Å; M133-L137 PolarHBondContact O-N 3Å
134F96.5Very high95.2Very high70 Ų7055.8 Ų55.831%0.30729%0.285SS..Hα-helixtrans-68.4-43.9176.1-165.3-113.2000112Y96 V130 V131 W132 L136 L137 L138Y96-F134 AromaticContact CD2-CD1 3.97Å; Y96-F134 HydrophobicContact CD2-CD1 3.97Å; Y96-F134 HydrophobicContact CD2-CE1 4.18Å; Y96-F134 HydrophobicContact CE1-CE1 4.38Å; Y96-F134 AromaticContact CE2-CD1 3.67Å; Y96-F134 HydrophobicContact CE2-CD1 3.67Å; Y96-F134 AromaticContact CE2-CE1 3.41Å; Y96-F134 HydrophobicContact CE2-CE1 3.41Å; Y96-F134 VanDerWaalsContact CE2-CE1 3.41Å; Y96-F134 AromaticContact CZ-CE1 3.52Å; Y96-F134 WeakPolarHBondContact OH-CE1 3.34Å; V130-F134 WeakPolarHBondContact O-CB 3.4Å; V130-F134 PolarHBondContact O-N 3.47Å; V131-F134 PolarHBondContact O-N 3.25Å; W132-F134 PolarHBondContact O-N 3.3Å; F134-L136 VanDerWaalsContact C-N 3.33Å; F134-L136 PolarHBondContact O-N 2.84Å; F134-L137 HydrophobicContact CD2-CD2 4.48Å; F134-L137 WeakPolarHBondContact O-CB 3.28Å; F134-L137 PolarHBondContact O-N 3.44Å; F134-L138 HydrophobicContact CD1-CD1 3.78Å; F134-L138 HydrophobicContact CD1-CG 4.28Å; F134-L138 HydrophobicContact CE1-CD1 3.28Å; F134-L138 HydrophobicContact CE1-CG 4Å; F134-L138 HydrophobicContact CE2-CD1 4.44Å; F134-L138 HydrophobicContact CE2-CD2 4.42Å; F134-L138 HydrophobicContact CE2-CG 4.38Å; F134-L138 HydrophobicContact CZ-CD1 3.67Å; F134-L138 HydrophobicContact CZ-CD2 4.17Å; F134-L138 HydrophobicContact CZ-CG 4.05Å; F134-L138 WeakPolarHBondContact O-CG 3.48Å; F134-L138 PolarHBondContact O-N 3.45Å
135G96.9Very high95.2Very high1 Ų157.6 Ų57.61%0.0129%0.294CS..Hα-helixtrans-60.5-41.2174.100000112.6V131 W132 L138 S139V131-G135 PolarHBondContact O-N 3.05Å; W132-G135 PolarHBondContact O-N 3.01Å; G135-L138 PolarHBondContact O-N 3.01Å; G135-S139 WeakPolarHBondContact O-CB 3.25Å; G135-S139 PolarHBondContact O-N 3.47Å; G135-S139 PolarHBondContact O-OG 3.45Å
136L97Very high95.2Very high73 Ų7352.6 Ų52.638%0.38227%0.271SS..Hα-helixtrans-61.1-49173.3-75.2165000111.4I89 W132 M133 F134 L138 S139 L140I89-L136 HydrophobicContact CD1-CD2 3.58Å; I89-L136 HydrophobicContact CD1-CG 4.46Å; I89-L136 HydrophobicContact CG1-CD2 4.26Å; W132-L136 WeakPolarHBondContact O-CB 3.42Å; W132-L136 WeakPolarHBondContact O-CG 3.28Å; W132-L136 PolarHBondContact O-N 2.9Å; M133-L136 HydrophobicContact SD-CD1 4.15Å; F134-L136 VanDerWaalsContact C-N 3.33Å; F134-L136 PolarHBondContact O-N 2.84Å; L136-L138 PolarHBondContact O-N 2.86Å; L136-S139 PolarHBondContact O-N 3.26Å; L136-S139 VanDerWaalsContact O-N 3.15Å; L136-S139 PolarHBondContact O-OG 3.31Å; L136-L140 PolarHBondContact O-N 2.91Å
137L96.8Very high95.2Very high100 Ų10052.3 Ų52.352%0.52427%0.267SS..Hα-helixtrans-58-47.4178.2178.365.5000111.7M133 F134 S139 L140M133-L137 WeakPolarHBondContact O-CB 3.49Å; M133-L137 PolarHBondContact O-N 3Å; F134-L137 HydrophobicContact CD2-CD2 4.48Å; F134-L137 WeakPolarHBondContact O-CB 3.28Å; F134-L137 PolarHBondContact O-N 3.44Å; L137-S139 PolarHBondContact O-N 3.23Å; L137-L140 HydrophobicContact CD1-CD1 3.85Å; L137-L140 WeakPolarHBondContact O-CB 3.39Å; L137-L140 VanDerWaalsContact O-CG 3.26Å; L137-L140 WeakPolarHBondContact O-CG 3.39Å; L137-L140 PolarHBondContact O-N 3.43Å
138L95.6Very high95.3Very high12 Ų1252.9 Ų52.96%0.06327%0.27CS..Hα-helixtrans-72.4-17179.9-64.6-173.3000113.5Y92 Y96 F134 G135 L136 L140 P141 M176 L180Y92-L138 HydrophobicContact CD1-CD1 3.53Å; Y92-L138 HydrophobicContact CD2-CB 3.57Å; Y92-L138 HydrophobicContact CD2-CD1 4.05Å; Y92-L138 HydrophobicContact CD2-CG 4.48Å; Y92-L138 HydrophobicContact CE1-CB 4.4Å; Y92-L138 HydrophobicContact CE1-CD1 3.46Å; Y92-L138 VanDerWaalsContact CE1-CD1 3.46Å; Y92-L138 HydrophobicContact CE2-CB 3.38Å; Y92-L138 HydrophobicContact CE2-CD1 3.99Å; Y92-L138 HydrophobicContact CE2-CG 4.35Å; Y92-L138 HydrophobicContact CG-CB 4.18Å; Y92-L138 HydrophobicContact CG-CD1 3.83Å; Y96-L138 HydrophobicContact CE2-CD1 4.43Å; F134-L138 HydrophobicContact CD1-CD1 3.78Å; F134-L138 HydrophobicContact CD1-CG 4.28Å; F134-L138 HydrophobicContact CE1-CD1 3.28Å; F134-L138 HydrophobicContact CE1-CG 4Å; F134-L138 HydrophobicContact CE2-CD1 4.44Å; F134-L138 HydrophobicContact CE2-CD2 4.42Å; F134-L138 HydrophobicContact CE2-CG 4.38Å; F134-L138 HydrophobicContact CZ-CD1 3.67Å; F134-L138 HydrophobicContact CZ-CD2 4.17Å; F134-L138 HydrophobicContact CZ-CG 4.05Å; F134-L138 WeakPolarHBondContact O-CG 3.48Å; F134-L138 PolarHBondContact O-N 3.45Å; G135-L138 PolarHBondContact O-N 3.01Å; L136-L138 PolarHBondContact O-N 2.86Å; L138-L140 VanDerWaalsContact C-N 3.34Å; L138-P141 WeakPolarHBondContact O-CD 3.17Å; L138-M176 HydrophobicContact CD2-CG 4.48Å; L138-M176 HydrophobicContact CD2-SD 3.91Å; L138-M176 WeakPolarHBondContact O-CE 3.45Å; L138-L180 HydrophobicContact CD1-CB 4.34Å; L138-L180 HydrophobicContact CD1-CD1 4.27Å; L138-L180 HydrophobicContact CD2-CD1 3.83Å
139S96.1Very high95.2Very high4 Ų456.3 Ų56.33%0.02828%0.284CS..Hα-helixtrans-82.7-9.3173.277.10000114I89 G135 L136 L137 T142 L143I89-S139 WeakPolarHBondContact CG1-OG 3.47Å; G135-S139 WeakPolarHBondContact O-CB 3.25Å; G135-S139 PolarHBondContact O-N 3.47Å; G135-S139 PolarHBondContact O-OG 3.45Å; L136-S139 PolarHBondContact O-N 3.26Å; L136-S139 VanDerWaalsContact O-N 3.15Å; L136-S139 PolarHBondContact O-OG 3.31Å; L137-S139 PolarHBondContact O-N 3.23Å; S139-T142 WeakPolarHBondContact O-CB 3.06Å; S139-T142 PolarHBondContact O-N 2.89Å; S139-T142 VanDerWaalsContact O-N 3.12Å; S139-L143 PolarHBondContact O-N 3.09Å
140L94Very high95Very high77 Ų7754.8 Ų54.840%0.40328%0.277SS..Hα-helixtrans-57.8-41.3-176.9-68.6-179.2000114.1L136 L137 L138 T142 L143 V144L136-L140 PolarHBondContact O-N 2.91Å; L137-L140 HydrophobicContact CD1-CD1 3.85Å; L137-L140 WeakPolarHBondContact O-CB 3.39Å; L137-L140 VanDerWaalsContact O-CG 3.26Å; L137-L140 WeakPolarHBondContact O-CG 3.39Å; L137-L140 PolarHBondContact O-N 3.43Å; L138-L140 VanDerWaalsContact C-N 3.34Å; L140-T142 VanDerWaalsContact C-N 3.29Å; L140-T142 PolarHBondContact O-N 3.4Å; L140-L143 HydrophobicContact CD2-CD2 4.12Å; L140-L143 WeakPolarHBondContact O-CB 3.4Å; L140-L143 PolarHBondContact O-N 2.97Å; L140-L143 VanDerWaalsContact O-N 3.09Å; L140-V144 WeakPolarHBondContact O-CB 3.26Å; L140-V144 WeakPolarHBondContact O-CG2 3.37Å; L140-V144 PolarHBondContact O-N 3.36Å
141P92.1Very high94.7Very high27 Ų2752.9 Ų52.918%0.17526%0.263CS..Hα-helixtrans-58.6-42.6176.2-26.537.7000111.8L138 V144 H145 M176L138-P141 WeakPolarHBondContact O-CD 3.17Å; P141-V144 PolarHBondContact O-N 3.12Å; P141-H145 VanDerWaalsContact O-CB 3.31Å; P141-H145 WeakPolarHBondContact O-CB 3.47Å; P141-H145 PolarHBondContact O-CD2 2.98Å; P141-H145 VanDerWaalsContact O-CD2 3.23Å; P141-H145 PolarHBondContact O-N 2.83Å; P141-M176 HydrophobicContact CG-CE 3.9Å
142T92.2Very high94.2Very high9 Ų960.5 Ų60.56%0.05530%0.299CS..Hα-helixtrans-61.3-45.5173.3-57.40000111.3N84 V88 S139 L140 V144 R146 H173N84-T142 HydrophobicContact CB-CG2 4.09Å; V88-T142 HydrophobicContact CG2-CG2 4.24Å; S139-T142 WeakPolarHBondContact O-CB 3.06Å; S139-T142 PolarHBondContact O-N 2.89Å; S139-T142 VanDerWaalsContact O-N 3.12Å; L140-T142 VanDerWaalsContact C-N 3.29Å; L140-T142 PolarHBondContact O-N 3.4Å; T142-V144 VanDerWaalsContact C-N 3.32Å; T142-V144 PolarHBondContact O-N 3.37Å; T142-R146 HydrophobicContact CG2-CG 3.85Å; T142-R146 WeakPolarHBondContact O-CB 3.24Å; T142-R146 WeakPolarHBondContact O-CG 3.21Å; T142-R146 PolarHBondContact O-N 3.37Å; T142-H173 PolarHBondContact OG1-CE1 3.35Å
143L93.8Very high93.7Very high69 Ų6965.3 Ų65.336%0.36132%0.323SS..Hα-helixtrans-61.9-39-179.2-171.972.8000112.8K81 S85 S139 L140K81-L143 HydrophobicContact CB-CD1 4Å; K81-L143 WeakPolarHBondContact CD-O 3.39Å; K81-L143 WeakPolarHBondContact CE-O 3.44Å; S85-L143 WeakPolarHBondContact OG-CA 3.34Å; S85-L143 WeakPolarHBondContact OG-CD1 3.47Å; S139-L143 PolarHBondContact O-N 3.09Å; L140-L143 HydrophobicContact CD2-CD2 4.12Å; L140-L143 WeakPolarHBondContact O-CB 3.4Å; L140-L143 PolarHBondContact O-N 2.97Å; L140-L143 VanDerWaalsContact O-N 3.09Å
144V92.1Very high93Very high103 Ų10367.8 Ų67.862%0.62433%0.328SS*.Hα-helixtrans-78.9-44.3-177.8172.20000111.5L140 P141 T142L140-V144 WeakPolarHBondContact O-CB 3.26Å; L140-V144 WeakPolarHBondContact O-CG2 3.37Å; L140-V144 PolarHBondContact O-N 3.36Å; P141-V144 PolarHBondContact O-N 3.12Å; T142-V144 VanDerWaalsContact C-N 3.32Å; T142-V144 PolarHBondContact O-N 3.37Å
145H91.3Very high92.6Very high38 Ų3870.8 Ų70.818%0.17635%0.347CS..Hα-helixtrans-88.9-19.2-173.9-69.5-75.9000114P141 K147 L161 D162 Y163P141-H145 VanDerWaalsContact O-CB 3.31Å; P141-H145 WeakPolarHBondContact O-CB 3.47Å; P141-H145 PolarHBondContact O-CD2 2.98Å; P141-H145 VanDerWaalsContact O-CD2 3.23Å; P141-H145 PolarHBondContact O-N 2.83Å; H145-K147 PolarHBondContact O-N 3.06Å; H145-L161 HydrophobicContact CB-CD1 3.92Å; H145-D162 PolarHBondContact ND1-O 3.04Å; H145-D162 PolarHBondContact O-N 3.19Å; H145-Y163 HydrophobicContact CB-CD1 4.34Å; H145-Y163 HydrophobicContact CB-CE1 4.12Å; H145-Y163 AromaticContact CG-CE1 3.97Å; H145-Y163 AromaticContact ND1-CD1 3.97Å
146R93.6Very high92.4Very high31 Ų3171.5 Ų71.512%0.11735%0.352CS..EExtended strand (participates in β ladder)trans-68.9128.9170.6-89.3-73.1-170.8-179.13.5109.7K81 N84 T142 C159 I160 L161K81-R146 WeakPolarHBondContact CE-O 3.36Å; K81-R146 HydrophobicContact CG-CB 4.08Å; K81-R146 WeakPolarHBondContact CG-O 3.44Å; N84-R146 HydrophobicContact CB-CG 3.92Å; N84-R146 VanDerWaalsContact CG-NE 3.26Å; N84-R146 VanDerWaalsContact OD1-CZ 3.23Å; N84-R146 PolarHBondContact OD1-NE 3.47Å; N84-R146 VanDerWaalsContact OD1-NE 3.13Å; N84-R146 PolarHBondContact OD1-NH2 3.33Å; T142-R146 HydrophobicContact CG2-CG 3.85Å; T142-R146 WeakPolarHBondContact O-CB 3.24Å; T142-R146 WeakPolarHBondContact O-CG 3.21Å; T142-R146 PolarHBondContact O-N 3.37Å; R146-C159 PolarHBondContact NH1-O 3.13Å; R146-C159 PolarHBondContact NH1-SG 3.32Å; R146-I160 WeakPolarHBondContact CA-O 3.32Å; R146-I160 WeakPolarHBondContact CD-O 3.17Å; R146-L161 HydrophobicContact CG-CD1 3.98Å
147K94.5Very high92.2Very high74 Ų7470.4 Ų70.432%0.32235%0.348SS..EExtended strand (participates in β ladder)trans-150.5159.7169.367.7-171-172.3-160.60111.8D77 H145 I160 D162D77-K147 VanDerWaalsContact OD1-CA 3.26Å; D77-K147 WeakPolarHBondContact OD1-CA 3.32Å; H145-K147 PolarHBondContact O-N 3.06Å; K147-I160 PolarHBondContact N-O 3.37Å; K147-I160 PolarHBondContact O-N 2.93Å; K147-I160 VanDerWaalsContact O-O 3.13Å; K147-D162 HydrophobicContact CD-CB 4.16Å; K147-D162 VanDerWaalsContact CE-CB 3.44Å; K147-D162 WeakPolarHBondContact CE-OD2 3.38Å; K147-D162 HydrophobicContact CG-CB 4.21Å; K147-D162 IonicContact NZ-OD2 3.23Å; K147-D162 PolarHBondContact NZ-OD2 3.46Å
148V95.4Very high92.1Very high41 Ų4165.9 Ų65.925%0.24833%0.325CS..EExtended strand (participates in β ladder)trans-82.6125170.1177.90000109W73 D77 C80 T157 S158W73-V148 HydrophobicContact CG-CG2 4.31Å; D77-V148 HydrophobicContact CB-CG2 4.44Å; D77-V148 PolarHBondContact OD1-N 3.15Å; C80-V148 HydrophobicContact CB-CG2 3.64Å; V148-T157 HydrophobicContact CG1-CG2 3.25Å; V148-S158 WeakPolarHBondContact CA-O 3.5Å
149K93.8Very high92Very high84 Ų8465.6 Ų65.637%0.36532%0.324SS..EExtended strand (participates in β ladder)trans-137.4140.7-178.5-166.4-177.1-176.4175.40110.3S158 I160 D162K149-S158 PolarHBondContact N-O 3.27Å; K149-S158 PolarHBondContact O-N 3.49Å; K149-I160 HydrophobicContact CB-CD1 3.93Å; K149-I160 HydrophobicContact CB-CG1 4.04Å; K149-I160 HydrophobicContact CD-CD1 3.68Å; K149-I160 HydrophobicContact CG-CD1 4.42Å; K149-D162 IonicContact NZ-OD2 3.39Å; K149-D162 PolarHBondContact NZ-OD2 2.97Å
150F93.2Very high91.7Very high100 Ų10067.4 Ų67.444%0.43933%0.333SS..EExtended strand (participates in β ladder)trans-75.9126.4169.2-176.1-106.5000109.9E152 N155 T156F150-E152 HydrophobicContact CD1-CG 4.07Å; F150-E152 HydrophobicContact CE1-CG 3.9Å; F150-N155 VanDerWaalsContact CZ-OD1 3.28Å; F150-N155 WeakPolarHBondContact CZ-OD1 3.25Å; F150-T156 WeakPolarHBondContact CA-O 3.29Å
151I90.2Very high91.4Very high43 Ų4366.8 Ų66.822%0.22133%0.33CS..EExtended strand (participates in β ladder)trans-106.1108177.4-54.6175.9000107.5E153 Y154 N155 T156 I160I151-E153 VanDerWaalsContact C-N 3.32Å; I151-E153 HydrophobicContact CG2-CB 4.27Å; I151-E153 PolarHBondContact O-N 3.46Å; I151-Y154 HydrophobicContact CB-CD2 4.37Å; I151-Y154 HydrophobicContact CG2-CD2 3.6Å; I151-Y154 HydrophobicContact CG2-CE2 4.13Å; I151-Y154 HydrophobicContact CG2-CG 4.46Å; I151-Y154 PolarHBondContact O-N 3.4Å; I151-N155 PolarHBondContact O-N 3.5Å; I151-T156 PolarHBondContact N-O 2.88Å; I151-T156 PolarHBondContact O-N 3.36Å; I151-I160 HydrophobicContact CD1-CG2 3.88Å
152E88.2Confident91.1Very high169 Ų16966.3 Ų66.379%0.7933%0.325SS*.G310 helixtrans-59.9-40.8-176.1-68.6-179.5-179.900112.3F150 Y154 N155F150-E152 HydrophobicContact CD1-CG 4.07Å; F150-E152 HydrophobicContact CE1-CG 3.9Å; E152-Y154 PolarHBondContact O-N 3.14Å; E152-N155 PolarHBondContact O-N 3.37Å
153E86.7Confident90.6Very high150 Ų15067.8 Ų67.870%0.70133%0.33SS*.G310 helixtrans-56-35.4-179.1-170.9-175.5157.100113I151I151-E153 VanDerWaalsContact C-N 3.32Å; I151-E153 HydrophobicContact CG2-CB 4.27Å; I151-E153 PolarHBondContact O-N 3.46Å
154Y82.9Confident89.4Confident149 Ų14968.8 Ų68.858%0.58434%0.339SS*.G310 helixtrans-110.93.2-176.7-52.7-55.1000112.9I151 E152 T156I151-Y154 HydrophobicContact CB-CD2 4.37Å; I151-Y154 HydrophobicContact CG2-CD2 3.6Å; I151-Y154 HydrophobicContact CG2-CE2 4.13Å; I151-Y154 HydrophobicContact CG2-CG 4.46Å; I151-Y154 PolarHBondContact O-N 3.4Å; E152-Y154 PolarHBondContact O-N 3.14Å; Y154-T156 PolarHBondContact O-N 3.48Å; Y154-T156 VanDerWaalsContact O-N 3.16Å
155N89Confident88.1Confident132 Ų13272.4 Ų72.471%0.70635%0.349SS*.THydrogen-bonded Turntrans46.243.1-176.3-168.429.5000113.1F150 I151 E152F150-N155 VanDerWaalsContact CZ-OD1 3.28Å; F150-N155 WeakPolarHBondContact CZ-OD1 3.25Å; I151-N155 PolarHBondContact O-N 3.5Å; E152-N155 PolarHBondContact O-N 3.37Å
156T91.4Very high86.8Confident17 Ų1771.7 Ų71.710%0.10435%0.352CS..EExtended strand (participates in β ladder)trans-135.6151-172.5-166.80000111.8F71 N72 F150 I151 Y154 S158F71-T156 PolarHBondContact O-OG1 3.15Å; N72-T156 WeakPolarHBondContact CA-OG1 3.45Å; N72-T156 WeakPolarHBondContact CB-OG1 3.48Å; F150-T156 WeakPolarHBondContact CA-O 3.29Å; I151-T156 PolarHBondContact N-O 2.88Å; I151-T156 PolarHBondContact O-N 3.36Å; Y154-T156 PolarHBondContact O-N 3.48Å; Y154-T156 VanDerWaalsContact O-N 3.16Å; T156-S158 WeakPolarHBondContact CG2-OG 3.48Å
157T93.6Very high85.7Confident50 Ų5075.1 Ų75.131%0.30738%0.381SS..EExtended strand (participates in β ladder)trans-98.895.4176-59.90000108.8N72 W73 V148N72-T157 CarbonylContact C-O 3.19Å; N72-T157 WeakPolarHBondContact OD1-CB 3.4Å; N72-T157 PolarHBondContact OD1-N 3.23Å; N72-T157 PolarHBondContact OD1-O 2.9Å; W73-T157 PolarHBondContact N-O 3.05Å; V148-T157 HydrophobicContact CG1-CG2 3.25Å
158S93.4Very high85.2Confident5 Ų575.8 Ų75.84%0.03540%0.395CS..EExtended strand (participates in β ladder)trans-99.5145.9-175.4-64.20000112Y66 F71 V148 K149 T156 I160Y66-S158 WeakPolarHBondContact OH-CB 3.39Å; Y66-S158 PolarHBondContact OH-OG 2.97Å; F71-S158 PolarHBondContact O-OG 2.81Å; V148-S158 WeakPolarHBondContact CA-O 3.5Å; K149-S158 PolarHBondContact N-O 3.27Å; K149-S158 PolarHBondContact O-N 3.49Å; T156-S158 WeakPolarHBondContact CG2-OG 3.48Å; S158-I160 PolarHBondContact O-N 3.41Å
159C94.1Very high84.7Confident6 Ų681 Ų814%0.04141%0.41CS..EExtended strand (participates in β ladder)trans-73.7116.3160.5177.60000105.9W73 C80 N84 R146W73-C159 HydrophobicContact CB-CB 3.96Å; W73-C159 HydrophobicContact CD2-CB 3.83Å; W73-C159 HydrophobicContact CE3-CB 4.03Å; W73-C159 HydrophobicContact CG-CB 3.78Å; C80-C159 HydrophobicContact CB-CB 3.83Å; C80-C159 WeakPolarHBondContact CB-SG 3.44Å; C80-C159 WeakPolarHBondContact SG-CB 3.38Å; C80-C159 CovalentContact SG-SG 2.03Å; C80-C159 PolarHBondContact SG-SG 2.77Å; N84-C159 PolarHBondContact ND2-SG 3.18Å; R146-C159 PolarHBondContact NH1-O 3.13Å; R146-C159 PolarHBondContact NH1-SG 3.32Å
160I90.7Very high84.4Confident41 Ų4179.6 Ų79.621%0.2140%0.404CS..EExtended strand (participates in β ladder)trans-128.1159.6178.865.2167.2000111.9R146 K147 K149 I151 S158 D162R146-I160 WeakPolarHBondContact CA-O 3.32Å; R146-I160 WeakPolarHBondContact CD-O 3.17Å; K147-I160 PolarHBondContact N-O 3.37Å; K147-I160 PolarHBondContact O-N 2.93Å; K147-I160 VanDerWaalsContact O-O 3.13Å; K149-I160 HydrophobicContact CB-CD1 3.93Å; K149-I160 HydrophobicContact CB-CG1 4.04Å; K149-I160 HydrophobicContact CD-CD1 3.68Å; K149-I160 HydrophobicContact CG-CD1 4.42Å; I151-I160 HydrophobicContact CD1-CG2 3.88Å; S158-I160 PolarHBondContact O-N 3.41Å; I160-D162 HydrophobicContact CD1-CB 4.44Å
161L87.6Confident84.2Confident65 Ų6577 Ų7734%0.3440%0.395SS..EExtended strand (participates in β ladder)trans-91.6110.3169.9-166.465.9000107.3H145 R146 Y163H145-L161 HydrophobicContact CB-CD1 3.92Å; R146-L161 HydrophobicContact CG-CD1 3.98Å; L161-Y163 HydrophobicContact CB-CE2 4.48Å; L161-Y163 HydrophobicContact CD2-CE2 3.46Å; L161-Y163 VanDerWaalsContact CD2-CE2 3.46Å; L161-Y163 VanDerWaalsContact CD2-CZ 3.45Å; L161-Y163 WeakPolarHBondContact CD2-OH 3.47Å; L161-Y163 HydrophobicContact CG-CD2 4.36Å; L161-Y163 HydrophobicContact CG-CE1 4.28Å; L161-Y163 HydrophobicContact CG-CE2 3.6Å
162D86.1Confident84.1Confident16 Ų1677.4 Ų77.49%0.08640%0.404CS..  trans-105.1109.2-172.8-162.3-6.9000111.9H145 K147 K149 I160 T164H145-D162 PolarHBondContact ND1-O 3.04Å; H145-D162 PolarHBondContact O-N 3.19Å; K147-D162 HydrophobicContact CD-CB 4.16Å; K147-D162 VanDerWaalsContact CE-CB 3.44Å; K147-D162 WeakPolarHBondContact CE-OD2 3.38Å; K147-D162 HydrophobicContact CG-CB 4.21Å; K147-D162 IonicContact NZ-OD2 3.23Å; K147-D162 PolarHBondContact NZ-OD2 3.46Å; K149-D162 IonicContact NZ-OD2 3.39Å; K149-D162 PolarHBondContact NZ-OD2 2.97Å; I160-D162 HydrophobicContact CD1-CB 4.44Å; D162-T164 VanDerWaalsContact OD1-CB 3.29Å; D162-T164 WeakPolarHBondContact OD1-CB 3.15Å; D162-T164 WeakPolarHBondContact OD1-CG2 3.38Å; D162-T164 PolarHBondContact OD1-N 2.89Å; D162-T164 PolarHBondContact OD1-OG1 3.49Å; D162-T164 PolarHBondContact OD2-OG1 3.48Å
163Y81.5Confident84.2Confident40 Ų4070.1 Ų70.116%0.15737%0.37CS..  trans-103.917.4175.7-59.4-64.4000113.1H145 L161 H165 G166 W169 K170 H173H145-Y163 HydrophobicContact CB-CD1 4.34Å; H145-Y163 HydrophobicContact CB-CE1 4.12Å; H145-Y163 AromaticContact CG-CE1 3.97Å; H145-Y163 AromaticContact ND1-CD1 3.97Å; L161-Y163 HydrophobicContact CB-CE2 4.48Å; L161-Y163 HydrophobicContact CD2-CE2 3.46Å; L161-Y163 VanDerWaalsContact CD2-CE2 3.46Å; L161-Y163 VanDerWaalsContact CD2-CZ 3.45Å; L161-Y163 WeakPolarHBondContact CD2-OH 3.47Å; L161-Y163 HydrophobicContact CG-CD2 4.36Å; L161-Y163 HydrophobicContact CG-CE1 4.28Å; L161-Y163 HydrophobicContact CG-CE2 3.6Å; Y163-H165 PolarHBondContact O-N 2.9Å; Y163-G166 PolarHBondContact O-N 3.02Å; Y163-W169 HydrophobicContact CD1-CB 3.99Å; Y163-W169 HydrophobicContact CE1-CB 4.45Å; Y163-K170 HydrophobicContact CD1-CB 4.4Å; Y163-K170 HydrophobicContact CD2-CB 3.6Å; Y163-K170 HydrophobicContact CD2-CD 4.48Å; Y163-K170 HydrophobicContact CD2-CG 3.83Å; Y163-K170 HydrophobicContact CE2-CB 3.78Å; Y163-K170 HydrophobicContact CE2-CG 3.71Å; Y163-K170 HydrophobicContact CG-CB 3.9Å; Y163-H173 AromaticContact CZ-ND1 3.94Å; Y163-H173 PolarHBondContact OH-ND1 3.42Å
164T68.8Low84.4Confident90 Ų9064.1 Ų64.155%0.55234%0.342SS*.THydrogen-bonded Turntrans-52.1-16.2-174.741.80000116D162D162-T164 VanDerWaalsContact OD1-CB 3.29Å; D162-T164 WeakPolarHBondContact OD1-CB 3.15Å; D162-T164 WeakPolarHBondContact OD1-CG2 3.38Å; D162-T164 PolarHBondContact OD1-N 2.89Å; D162-T164 PolarHBondContact OD1-OG1 3.49Å; D162-T164 PolarHBondContact OD2-OG1 3.48Å
165H64.6Low84.8Confident179 Ų17960.8 Ų60.883%0.82933%0.334SS*.THydrogen-bonded Turntrans-103.613.4179-63.6-71.1000115.1Y163Y163-H165 PolarHBondContact O-N 2.9Å
166G64.3Low85Confident24 Ų2456.3 Ų56.325%0.24731%0.309CS..  trans167.5113.7167.200000113.5Y163 S168 W169Y163-G166 PolarHBondContact O-N 3.02Å; G166-S168 PolarHBondContact O-N 3.28Å; G166-S168 VanDerWaalsContact O-N 3.13Å; G166-W169 WeakPolarHBondContact O-CB 3.22Å; G166-W169 PolarHBondContact O-N 2.87Å
167S69.8Low85Confident103 Ų10356.6 Ų56.672%0.7231%0.309SS*.Hα-helixtrans-53.9-31.1173.755.10000112.5W169 K170 L171S167-W169 PolarHBondContact O-N 2.92Å; S167-K170 PolarHBondContact O-N 2.93Å; S167-L171 PolarHBondContact O-N 3.29Å
168S83.3Confident84.9Confident87 Ų8755 Ų5561%0.60830%0.299SS*.Hα-helixtrans-59.1-28.7175-48.30000113.7G166 A172G166-S168 PolarHBondContact O-N 3.28Å; G166-S168 VanDerWaalsContact O-N 3.13Å; S168-A172 WeakPolarHBondContact O-CB 3.33Å; S168-A172 PolarHBondContact O-N 2.74Å
169W86.5Confident84.9Confident151 Ų15157.8 Ų57.857%0.57232%0.316SS*.Hα-helixtrans-71.9-40.1177.2-76.3107.8000112.4Y163 G166 S167 H173Y163-W169 HydrophobicContact CD1-CB 3.99Å; Y163-W169 HydrophobicContact CE1-CB 4.45Å; G166-W169 WeakPolarHBondContact O-CB 3.22Å; G166-W169 PolarHBondContact O-N 2.87Å; S167-W169 PolarHBondContact O-N 2.92Å; W169-H173 VanDerWaalsContact O-CB 3.31Å; W169-H173 WeakPolarHBondContact O-CB 3.36Å; W169-H173 PolarHBondContact O-N 3.39Å
170K86.8Confident85Confident54 Ų5459.8 Ų59.824%0.23533%0.326CS..Hα-helixtrans-57.9-53.1173.3-176.2-169.4177-145.50109.4Y163 S167 A172 H173 Q174 D242 D246Y163-K170 HydrophobicContact CD1-CB 4.4Å; Y163-K170 HydrophobicContact CD2-CB 3.6Å; Y163-K170 HydrophobicContact CD2-CD 4.48Å; Y163-K170 HydrophobicContact CD2-CG 3.83Å; Y163-K170 HydrophobicContact CE2-CB 3.78Å; Y163-K170 HydrophobicContact CE2-CG 3.71Å; Y163-K170 HydrophobicContact CG-CB 3.9Å; S167-K170 PolarHBondContact O-N 2.93Å; K170-A172 PolarHBondContact O-N 3.35Å; K170-H173 PolarHBondContact O-N 3.18Å; K170-Q174 WeakPolarHBondContact O-CG 3.1Å; K170-Q174 PolarHBondContact O-N 3.21Å; K170-D242 WeakPolarHBondContact CE-OD2 3.28Å; K170-D242 IonicContact NZ-OD1 3.77Å; K170-D242 IonicContact NZ-OD2 3.84Å; K170-D242 PolarHBondContact NZ-OD2 3.24Å; K170-D246 WeakPolarHBondContact CD-OD2 3.38Å; K170-D246 VanDerWaalsContact CE-OD2 3.25Å; K170-D246 WeakPolarHBondContact CE-OD2 3.29Å; K170-D246 IonicContact NZ-OD1 2.87Å; K170-D246 PolarHBondContact NZ-OD1 2.89Å; K170-D246 IonicContact NZ-OD2 2.65Å; K170-D246 PolarHBondContact NZ-OD2 3.35Å
171L87.9Confident85Confident47 Ų4757.9 Ų57.925%0.24632%0.316CS..Hα-helixtrans-59.5-48.3-179.2-178.760.5000111.9S167 H173 Q174 I175 T243 V247S167-L171 PolarHBondContact O-N 3.29Å; L171-H173 VanDerWaalsContact C-N 3.33Å; L171-H173 PolarHBondContact O-N 3.08Å; L171-Q174 PolarHBondContact O-N 2.86Å; L171-I175 HydrophobicContact CD1-CD1 3.83Å; L171-I175 HydrophobicContact CD1-CG1 4.17Å; L171-I175 HydrophobicContact CG-CD1 3.82Å; L171-I175 HydrophobicContact CG-CG1 4.5Å; L171-I175 WeakPolarHBondContact O-CB 3.41Å; L171-I175 VanDerWaalsContact O-CG1 3.31Å; L171-I175 WeakPolarHBondContact O-CG1 3.4Å; L171-I175 PolarHBondContact O-N 3.12Å; L171-T243 HydrophobicContact CD1-CG2 3.63Å; L171-V247 HydrophobicContact CD1-CG1 3.79Å; L171-V247 HydrophobicContact CD2-CG1 3.99Å
172A89.8Confident85.1Confident50 Ų5057.2 Ų57.241%0.41331%0.31SS..Hα-helixtrans-60.9-41.7178.700000112.1S168 K170 M176S168-A172 WeakPolarHBondContact O-CB 3.33Å; S168-A172 PolarHBondContact O-N 2.74Å; K170-A172 PolarHBondContact O-N 3.35Å; A172-M176 VanDerWaalsContact O-CB 3.23Å; A172-M176 WeakPolarHBondContact O-CB 3.43Å; A172-M176 PolarHBondContact O-N 3.12Å
173H90.1Very high85.4Confident16 Ų1658.5 Ų58.57%0.07432%0.323CS..Hα-helixtrans-65-45.2177.4-171.2178.3000111.4T142 Y163 W169 K170 L171 M176 M177T142-H173 PolarHBondContact OG1-CE1 3.35Å; Y163-H173 AromaticContact CZ-ND1 3.94Å; Y163-H173 PolarHBondContact OH-ND1 3.42Å; W169-H173 VanDerWaalsContact O-CB 3.31Å; W169-H173 WeakPolarHBondContact O-CB 3.36Å; W169-H173 PolarHBondContact O-N 3.39Å; K170-H173 PolarHBondContact O-N 3.18Å; L171-H173 VanDerWaalsContact C-N 3.33Å; L171-H173 PolarHBondContact O-N 3.08Å; H173-M176 WeakPolarHBondContact O-CB 2.83Å; H173-M176 PolarHBondContact O-N 3.29Å; H173-M177 WeakPolarHBondContact O-CB 3.12Å; H173-M177 PolarHBondContact O-N 2.88Å
174Q90.1Very high86Confident25 Ų2560.5 Ų60.512%0.11734%0.336CS..Hα-helixtrans-64.8-42.9177.6-70.2-175.8-13.600112.5K170 L171 M176 M177 N178 T239 D242 T243K170-Q174 WeakPolarHBondContact O-CG 3.1Å; K170-Q174 PolarHBondContact O-N 3.21Å; L171-Q174 PolarHBondContact O-N 2.86Å; Q174-M176 VanDerWaalsContact C-N 3.34Å; Q174-M176 PolarHBondContact O-N 3.21Å; Q174-M177 PolarHBondContact O-N 3.36Å; Q174-N178 WeakPolarHBondContact O-CB 3.34Å; Q174-N178 PolarHBondContact O-N 3.4Å; Q174-N178 PolarHBondContact O-ND2 3.42Å; Q174-T239 HydrophobicContact CB-CG2 4.14Å; Q174-T239 HydrophobicContact CG-CG2 3.98Å; Q174-D242 PolarHBondContact NE2-OD2 2.82Å; Q174-T243 VanDerWaalsContact CB-OG1 3.3Å; Q174-T243 WeakPolarHBondContact CB-OG1 3.26Å; Q174-T243 PolarHBondContact OE1-OG1 2.91Å
175I91.1Very high87.2Confident79 Ų7956.3 Ų56.341%0.40531%0.31SS..Hα-helixtrans-60.6-45.5174.7-69.6171.5000110.2L171 M177 N178 T179 T243L171-I175 HydrophobicContact CD1-CD1 3.83Å; L171-I175 HydrophobicContact CD1-CG1 4.17Å; L171-I175 HydrophobicContact CG-CD1 3.82Å; L171-I175 HydrophobicContact CG-CG1 4.5Å; L171-I175 WeakPolarHBondContact O-CB 3.41Å; L171-I175 VanDerWaalsContact O-CG1 3.31Å; L171-I175 WeakPolarHBondContact O-CG1 3.4Å; L171-I175 PolarHBondContact O-N 3.12Å; I175-M177 VanDerWaalsContact C-N 3.33Å; I175-M177 PolarHBondContact O-N 3.02Å; I175-N178 PolarHBondContact O-N 3.43Å; I175-T179 HydrophobicContact CG2-CG2 4.14Å; I175-T179 VanDerWaalsContact O-CB 3.31Å; I175-T179 WeakPolarHBondContact O-CB 3.39Å; I175-T179 VanDerWaalsContact O-CG2 3.27Å; I175-T179 WeakPolarHBondContact O-CG2 3.36Å; I175-T179 PolarHBondContact O-N 2.63Å; I175-T179 PolarHBondContact O-OG1 2.98Å; I175-T243 HydrophobicContact CG1-CG2 4.2Å
176M93.6Very high88.4Confident37 Ų3749.3 Ų49.318%0.18228%0.28CS..Hα-helixtrans-58.3-45.7176.5-176.5-172.969.300111.1L138 P141 A172 H173 Q174 T179 L180L138-M176 HydrophobicContact CD2-CG 4.48Å; L138-M176 HydrophobicContact CD2-SD 3.91Å; L138-M176 WeakPolarHBondContact O-CE 3.45Å; P141-M176 HydrophobicContact CG-CE 3.9Å; A172-M176 VanDerWaalsContact O-CB 3.23Å; A172-M176 WeakPolarHBondContact O-CB 3.43Å; A172-M176 PolarHBondContact O-N 3.12Å; H173-M176 WeakPolarHBondContact O-CB 2.83Å; H173-M176 PolarHBondContact O-N 3.29Å; Q174-M176 VanDerWaalsContact C-N 3.34Å; Q174-M176 PolarHBondContact O-N 3.21Å; M176-T179 PolarHBondContact O-N 3.2Å; M176-T179 PolarHBondContact O-OG1 3.43Å; M176-L180 HydrophobicContact CG-CD1 3.8Å; M176-L180 HydrophobicContact CG-CG 4.39Å; M176-L180 VanDerWaalsContact O-CB 3.32Å; M176-L180 WeakPolarHBondContact O-CB 3.09Å; M176-L180 PolarHBondContact O-N 3.45Å
177M91.9Very high89.8Confident23 Ų2353.7 Ų53.711%0.11330%0.297CS..Hα-helixtrans-64.5-47179.9-168169.7-172.200112.3F91 Y92 H173 Q174 I175 T179 G181 F235F91-M177 HydrophobicContact CD1-CE 4.01Å; F91-M177 HydrophobicContact CE1-CE 3.99Å; F91-M177 HydrophobicContact CE1-CG 4.13Å; Y92-M177 WeakPolarHBondContact OH-CA 3.5Å; H173-M177 WeakPolarHBondContact O-CB 3.12Å; H173-M177 PolarHBondContact O-N 2.88Å; Q174-M177 PolarHBondContact O-N 3.36Å; I175-M177 VanDerWaalsContact C-N 3.33Å; I175-M177 PolarHBondContact O-N 3.02Å; M177-T179 PolarHBondContact O-N 2.75Å; M177-G181 WeakPolarHBondContact O-CA 3.36Å; M177-G181 PolarHBondContact O-N 3.14Å; M177-F235 HydrophobicContact CE-CD1 4.24Å; M177-F235 HydrophobicContact CE-CE1 3.47Å; M177-F235 VanDerWaalsContact CE-CE1 3.47Å; M177-F235 HydrophobicContact CE-CZ 4.34Å; M177-F235 HydrophobicContact SD-CE1 4.06Å
178N91.4Very high90.9Very high17 Ų1751 Ų519%0.09128%0.277CS..Hα-helixtrans-66.3-38.7178.4-78.4-40.1000112.6Q174 I175 F182 A183 Q236 F240Q174-N178 WeakPolarHBondContact O-CB 3.34Å; Q174-N178 PolarHBondContact O-N 3.4Å; Q174-N178 PolarHBondContact O-ND2 3.42Å; I175-N178 PolarHBondContact O-N 3.43Å; N178-F182 WeakPolarHBondContact O-CB 3.33Å; N178-F182 PolarHBondContact O-N 3.28Å; N178-A183 PolarHBondContact O-N 3.1Å; N178-Q236 PolarHBondContact OD1-O 2.9Å; N178-Q236 VanDerWaalsContact OD1-O 3.09Å; N178-Q236 PolarHBondContact OD1-OE1 2.87Å; N178-F240 VanDerWaalsContact ND2-CA 3.35Å; N178-F240 WeakPolarHBondContact ND2-CA 3.46Å; N178-F240 PolarHBondContact ND2-N 2.76Å
179T93.5Very high91.3Very high63 Ų6347.1 Ų47.139%0.38725%0.249SC..Iπ-helixtrans-79.7-56.5-176.954.80000112.3I175 M176 M177 A183 L184I175-T179 HydrophobicContact CG2-CG2 4.14Å; I175-T179 VanDerWaalsContact O-CB 3.31Å; I175-T179 WeakPolarHBondContact O-CB 3.39Å; I175-T179 VanDerWaalsContact O-CG2 3.27Å; I175-T179 WeakPolarHBondContact O-CG2 3.36Å; I175-T179 PolarHBondContact O-N 2.63Å; I175-T179 PolarHBondContact O-OG1 2.98Å; M176-T179 PolarHBondContact O-N 3.2Å; M176-T179 PolarHBondContact O-OG1 3.43Å; M177-T179 PolarHBondContact O-N 2.75Å; T179-A183 PolarHBondContact O-N 2.84Å; T179-L184 WeakPolarHBondContact O-CB 3.2Å; T179-L184 PolarHBondContact O-N 2.84Å
180L95.1Very high91.4Very high49 Ų4944.1 Ų44.126%0.25725%0.247SC..Iπ-helixtrans-79.9-32.4-176.6-58.8-176.5000112Y92 Y96 L138 M176 L184 P185Y92-L180 HydrophobicContact CE1-CB 4.4Å; Y96-L180 PolarHBondContact OH-O 2.92Å; L138-L180 HydrophobicContact CD1-CB 4.34Å; L138-L180 HydrophobicContact CD1-CD1 4.27Å; L138-L180 HydrophobicContact CD2-CD1 3.83Å; M176-L180 HydrophobicContact CG-CD1 3.8Å; M176-L180 HydrophobicContact CG-CG 4.39Å; M176-L180 VanDerWaalsContact O-CB 3.32Å; M176-L180 WeakPolarHBondContact O-CB 3.09Å; M176-L180 PolarHBondContact O-N 3.45Å; L180-L184 HydrophobicContact CD2-CD2 4.14Å; L180-P185 WeakPolarHBondContact O-CD 3.43Å; L180-P185 WeakPolarHBondContact O-CG 3.35Å
181G90.9Very high91.6Very high0 Ų047.7 Ų47.70%026%0.263CS..Iπ-helixtrans-84-23.8-178.800000114.6F91 M177F91-G181 WeakPolarHBondContact CZ-O 3.43Å; M177-G181 WeakPolarHBondContact O-CA 3.36Å; M177-G181 PolarHBondContact O-N 3.14Å
182F89.5Confident91.6Very high51 Ų5145.7 Ų45.722%0.22425%0.253CS..Iπ-helixtrans-131.6-65.5-173.7-167.3-108.5000113.4N178 L184 P185 V186 L229 Q236N178-F182 WeakPolarHBondContact O-CB 3.33Å; N178-F182 PolarHBondContact O-N 3.28Å; F182-L184 PolarHBondContact O-N 3.49Å; F182-P185 WeakPolarHBondContact O-CD 3.1Å; F182-V186 HydrophobicContact CD2-CG2 4.15Å; F182-V186 HydrophobicContact CE2-CG2 4.1Å; F182-V186 HydrophobicContact CG-CG2 4.42Å; F182-V186 HydrophobicContact CZ-CG2 4.3Å; F182-V186 VanDerWaalsContact O-CB 3.27Å; F182-V186 WeakPolarHBondContact O-CB 3.17Å; F182-V186 WeakPolarHBondContact O-CG2 3.18Å; F182-V186 PolarHBondContact O-N 3.36Å; F182-L229 HydrophobicContact CE2-CD2 3.77Å; F182-L229 HydrophobicContact CZ-CD2 4.33Å; F182-Q236 HydrophobicContact CB-CB 4.18Å; F182-Q236 HydrophobicContact CB-CG 3.89Å; F182-Q236 HydrophobicContact CD1-CB 4.13Å; F182-Q236 HydrophobicContact CD2-CB 3.97Å; F182-Q236 HydrophobicContact CD2-CG 3.64Å; F182-Q236 HydrophobicContact CE1-CB 4.5Å; F182-Q236 HydrophobicContact CE2-CB 4.34Å; F182-Q236 HydrophobicContact CE2-CG 4.28Å; F182-Q236 HydrophobicContact CG-CB 3.83Å; F182-Q236 HydrophobicContact CG-CG 3.8Å
183A92.5Very high91.3Very high44 Ų4443.9 Ų43.936%0.36424%0.237SC..Iπ-helixtrans-60.1-53.2-17100000113.1N178 T179 V186 L187N178-A183 PolarHBondContact O-N 3.1Å; T179-A183 PolarHBondContact O-N 2.84Å; A183-V186 PolarHBondContact O-N 2.9Å; A183-L187 WeakPolarHBondContact O-CB 3.35Å; A183-L187 WeakPolarHBondContact O-CG 3.3Å; A183-L187 PolarHBondContact O-N 3.37Å
184L95.1Very high91.1Very high82 Ų8251.5 Ų51.543%0.42927%0.265SS..Hα-helixtrans-61.8-50.8-179.2174.173.7000111.8T179 L180 F182 V186 L187 V188T179-L184 WeakPolarHBondContact O-CB 3.2Å; T179-L184 PolarHBondContact O-N 2.84Å; L180-L184 HydrophobicContact CD2-CD2 4.14Å; F182-L184 PolarHBondContact O-N 3.49Å; L184-V186 PolarHBondContact O-N 3.44Å; L184-L187 PolarHBondContact O-N 3.18Å; L184-V188 WeakPolarHBondContact O-CG2 3.44Å; L184-V188 PolarHBondContact O-N 2.92Å; L184-V188 VanDerWaalsContact O-N 3.1Å
185P93.4Very high91Very high1 Ų152 Ų521%0.00627%0.269CS..Hα-helixtrans-58.5-44175.6-26.633.6000114.4I95 Y96 V99 L180 F182 L187 V188 I189I95-P185 HydrophobicContact CD1-CB 3.87Å; I95-P185 HydrophobicContact CG1-CB 3.36Å; I95-P185 HydrophobicContact CG1-CG 3.78Å; I95-P185 HydrophobicContact CG2-CG 4.29Å; Y96-P185 HydrophobicContact CE1-CG 4.23Å; V99-P185 HydrophobicContact CG2-CB 3.62Å; L180-P185 WeakPolarHBondContact O-CD 3.43Å; L180-P185 WeakPolarHBondContact O-CG 3.35Å; F182-P185 WeakPolarHBondContact O-CD 3.1Å; P185-L187 VanDerWaalsContact C-N 3.35Å; P185-L187 PolarHBondContact O-N 3.37Å; P185-V188 PolarHBondContact O-N 3.15Å; P185-I189 VanDerWaalsContact O-CG1 3.28Å; P185-I189 WeakPolarHBondContact O-CG1 3.48Å; P185-I189 PolarHBondContact O-N 3.05Å
186V90.9Very high90.6Very high32 Ų3248.4 Ų48.419%0.19425%0.251CS..Hα-helixtrans-60.5-45.5178.5169.70000110.6F182 A183 L184 V188 I189 V190 L229F182-V186 HydrophobicContact CD2-CG2 4.15Å; F182-V186 HydrophobicContact CE2-CG2 4.1Å; F182-V186 HydrophobicContact CG-CG2 4.42Å; F182-V186 HydrophobicContact CZ-CG2 4.3Å; F182-V186 VanDerWaalsContact O-CB 3.27Å; F182-V186 WeakPolarHBondContact O-CB 3.17Å; F182-V186 WeakPolarHBondContact O-CG2 3.18Å; F182-V186 PolarHBondContact O-N 3.36Å; A183-V186 PolarHBondContact O-N 2.9Å; L184-V186 PolarHBondContact O-N 3.44Å; V186-V188 VanDerWaalsContact C-N 3.33Å; V186-V188 PolarHBondContact O-N 2.93Å; V186-I189 PolarHBondContact O-N 2.86Å; V186-V190 HydrophobicContact CG1-CG2 4.07Å; V186-V190 WeakPolarHBondContact O-CB 3.46Å; V186-V190 VanDerWaalsContact O-CG2 3.27Å; V186-V190 WeakPolarHBondContact O-CG2 3.43Å; V186-V190 PolarHBondContact O-N 3.13Å; V186-L229 HydrophobicContact CG2-CD2 3.54Å
187L92.9Very high90.1Very high116 Ų11651 Ų5161%0.60726%0.264SS*.Hα-helixtrans-58.7-44.6177.3-73.2170.3000111.9A183 L184 P185 F191A183-L187 WeakPolarHBondContact O-CB 3.35Å; A183-L187 WeakPolarHBondContact O-CG 3.3Å; A183-L187 PolarHBondContact O-N 3.37Å; L184-L187 PolarHBondContact O-N 3.18Å; P185-L187 VanDerWaalsContact C-N 3.35Å; P185-L187 PolarHBondContact O-N 3.37Å; L187-F191 WeakPolarHBondContact O-CB 3.12Å; L187-F191 PolarHBondContact O-N 3.28Å
188V93.2Very high89.8Confident47 Ų4754.5 Ų54.529%0.28528%0.279SS..Hα-helixtrans-65.3-42.5178.21770000111.3V99 I103 L184 P185 V186 S192V99-V188 HydrophobicContact CG1-CB 4.28Å; V99-V188 HydrophobicContact CG1-CG1 3.69Å; I103-V188 HydrophobicContact CD1-CG1 4.08Å; I103-V188 HydrophobicContact CG1-CG1 4.18Å; L184-V188 WeakPolarHBondContact O-CG2 3.44Å; L184-V188 PolarHBondContact O-N 2.92Å; L184-V188 VanDerWaalsContact O-N 3.1Å; P185-V188 PolarHBondContact O-N 3.15Å; V186-V188 VanDerWaalsContact C-N 3.33Å; V186-V188 PolarHBondContact O-N 2.93Å; V188-S192 WeakPolarHBondContact O-CB 3.29Å; V188-S192 PolarHBondContact O-N 3.28Å; V188-S192 PolarHBondContact O-OG 3.07Å
189I90.2Very high89.3Confident6 Ų654.7 Ų54.73%0.03128%0.283CS..Hα-helixtrans-66.5-46.9178.7-64.8164.9000110.5I95 L98 V99 P185 V186 F191 S192 S193 T225I95-I189 HydrophobicContact CD1-CD1 3.95Å; L98-I189 HydrophobicContact CB-CD1 4.26Å; V99-I189 HydrophobicContact CG2-CD1 4.01Å; V99-I189 HydrophobicContact CG2-CG1 3.97Å; P185-I189 VanDerWaalsContact O-CG1 3.28Å; P185-I189 WeakPolarHBondContact O-CG1 3.48Å; P185-I189 PolarHBondContact O-N 3.05Å; V186-I189 PolarHBondContact O-N 2.86Å; I189-F191 PolarHBondContact O-N 2.91Å; I189-S192 WeakPolarHBondContact CA-OG 3.38Å; I189-S192 PolarHBondContact O-N 3.4Å; I189-S192 PolarHBondContact O-OG 2.88Å; I189-S193 WeakPolarHBondContact O-CB 3.4Å; I189-S193 PolarHBondContact O-N 3.14Å; I189-S193 PolarHBondContact O-OG 2.91Å; I189-T225 HydrophobicContact CD1-CG2 4.25Å; I189-T225 HydrophobicContact CG2-CG2 3.57Å
190V89.1Confident88.4Confident87 Ų8753.9 Ų53.953%0.52728%0.276SS..Hα-helixtrans-61.7-44.7177.71710000110.9V186 S193 W194V186-V190 HydrophobicContact CG1-CG2 4.07Å; V186-V190 WeakPolarHBondContact O-CB 3.46Å; V186-V190 VanDerWaalsContact O-CG2 3.27Å; V186-V190 WeakPolarHBondContact O-CG2 3.43Å; V186-V190 PolarHBondContact O-N 3.13Å; V190-S193 WeakPolarHBondContact O-CB 3.27Å; V190-S193 PolarHBondContact O-N 2.92Å; V190-W194 VanDerWaalsContact O-CB 3.28Å; V190-W194 WeakPolarHBondContact O-CB 3.09Å; V190-W194 PolarHBondContact O-N 3.35Å
191F90.4Very high87.6Confident130 Ų13054.4 Ų54.457%0.5728%0.283SS*.Hα-helixtrans-61.8-49.2177.9174.3-97.6000112.4L187 I189 S193 W194 N195L187-F191 WeakPolarHBondContact O-CB 3.12Å; L187-F191 PolarHBondContact O-N 3.28Å; I189-F191 PolarHBondContact O-N 2.91Å; F191-S193 VanDerWaalsContact C-N 3.32Å; F191-S193 PolarHBondContact O-N 3.46Å; F191-W194 PolarHBondContact O-N 3.04Å; F191-N195 WeakPolarHBondContact CE2-ND2 3.38Å; F191-N195 VanDerWaalsContact CZ-ND2 3.29Å; F191-N195 WeakPolarHBondContact CZ-ND2 3.28Å; F191-N195 PolarHBondContact O-N 3.38Å; F191-N195 PolarHBondContact O-ND2 2.98Å
192S88.4Confident86.8Confident4 Ų461.4 Ų61.43%0.02831%0.31CS..Hα-helixtrans-61.8-44178.652.10000111.1S102 V188 I189 N195 I196S102-S192 WeakPolarHBondContact CB-OG 3.48Å; V188-S192 WeakPolarHBondContact O-CB 3.29Å; V188-S192 PolarHBondContact O-N 3.28Å; V188-S192 PolarHBondContact O-OG 3.07Å; I189-S192 WeakPolarHBondContact CA-OG 3.38Å; I189-S192 PolarHBondContact O-N 3.4Å; I189-S192 PolarHBondContact O-OG 2.88Å; S192-N195 PolarHBondContact O-N 3.23Å; S192-I196 VanDerWaalsContact O-CG1 3.25Å; S192-I196 WeakPolarHBondContact O-CG1 3.39Å; S192-I196 PolarHBondContact O-N 2.92Å
193S84.6Confident85.9Confident13 Ų1365 Ų659%0.09132%0.322CS..Hα-helixtrans-59.4-49.7176.9-65.60000113.4I189 V190 F191 N195 I196 I197 Y222I189-S193 WeakPolarHBondContact O-CB 3.4Å; I189-S193 PolarHBondContact O-N 3.14Å; I189-S193 PolarHBondContact O-OG 2.91Å; V190-S193 WeakPolarHBondContact O-CB 3.27Å; V190-S193 PolarHBondContact O-N 2.92Å; F191-S193 VanDerWaalsContact C-N 3.32Å; F191-S193 PolarHBondContact O-N 3.46Å; S193-N195 VanDerWaalsContact C-N 3.29Å; S193-N195 PolarHBondContact O-N 2.93Å; S193-I196 WeakPolarHBondContact O-CB 3.45Å; S193-I196 PolarHBondContact O-N 3.41Å; S193-I196 VanDerWaalsContact O-N 3.13Å; S193-I197 WeakPolarHBondContact O-CG1 3.23Å; S193-I197 PolarHBondContact O-N 3.31Å; S193-Y222 WeakPolarHBondContact CA-OH 3.21Å; S193-Y222 VanDerWaalsContact CB-CE1 3.44Å; S193-Y222 VanDerWaalsContact CB-OH 3.24Å; S193-Y222 WeakPolarHBondContact CB-OH 3.29Å; S193-Y222 PolarHBondContact O-OH 2.83Å; S193-Y222 VanDerWaalsContact O-OH 3.12Å; S193-Y222 WeakPolarHBondContact OG-CE1 3.32Å
194W85.9Confident84.5Confident175 Ų17567.9 Ų67.966%0.66334%0.335SS*.Hα-helixtrans-55.5-46177.2177.7-96.1000111.6V190 F191 I197 K198V190-W194 VanDerWaalsContact O-CB 3.28Å; V190-W194 WeakPolarHBondContact O-CB 3.09Å; V190-W194 PolarHBondContact O-N 3.35Å; F191-W194 PolarHBondContact O-N 3.04Å; W194-I197 PolarHBondContact O-N 3.2Å; W194-K198 WeakPolarHBondContact O-CB 3.43Å; W194-K198 PolarHBondContact O-N 2.9Å
195N87.1Confident82.8Confident35 Ų3571.8 Ų71.819%0.18735%0.351CS..Hα-helixtrans-68.9-35.2178.6-74.2-72.2000113Y106 F191 S192 S193 A199Y106-N195 HydrophobicContact CD2-CB 3.88Å; Y106-N195 HydrophobicContact CE2-CB 3.54Å; F191-N195 WeakPolarHBondContact CE2-ND2 3.38Å; F191-N195 VanDerWaalsContact CZ-ND2 3.29Å; F191-N195 WeakPolarHBondContact CZ-ND2 3.28Å; F191-N195 PolarHBondContact O-N 3.38Å; F191-N195 PolarHBondContact O-ND2 2.98Å; S192-N195 PolarHBondContact O-N 3.23Å; S193-N195 VanDerWaalsContact C-N 3.29Å; S193-N195 PolarHBondContact O-N 2.93Å; N195-A199 VanDerWaalsContact O-CB 3.28Å; N195-A199 WeakPolarHBondContact O-CB 3.47Å; N195-A199 PolarHBondContact O-N 3.13Å
196I83.8Confident80.9Confident5 Ų577.5 Ų77.53%0.02638%0.382CS..Hα-helixtrans-61.6-50.2173.2-70162.1000109.7R105 Y106 L109 V110 S192 S193 K198 A199 L200 T218R105-I196 HydrophobicContact CB-CD1 4.01Å; Y106-I196 HydrophobicContact CD2-CG1 4.4Å; L109-I196 HydrophobicContact CD1-CG2 3.74Å; V110-I196 HydrophobicContact CG2-CG1 4.21Å; S192-I196 VanDerWaalsContact O-CG1 3.25Å; S192-I196 WeakPolarHBondContact O-CG1 3.39Å; S192-I196 PolarHBondContact O-N 2.92Å; S193-I196 WeakPolarHBondContact O-CB 3.45Å; S193-I196 PolarHBondContact O-N 3.41Å; S193-I196 VanDerWaalsContact O-N 3.13Å; I196-K198 VanDerWaalsContact C-N 3.34Å; I196-K198 PolarHBondContact O-N 2.99Å; I196-A199 PolarHBondContact O-N 3.13Å; I196-A199 VanDerWaalsContact O-N 3.17Å; I196-L200 HydrophobicContact CG2-CD1 3.72Å; I196-L200 HydrophobicContact CG2-CG 4.27Å; I196-L200 WeakPolarHBondContact O-CB 3.36Å; I196-L200 WeakPolarHBondContact O-CG 3.2Å; I196-L200 PolarHBondContact O-N 3.22Å; I196-T218 HydrophobicContact CG2-CG2 4.09Å
197I82.6Confident79Confident92 Ų9282.8 Ų82.847%0.47241%0.408SS..Hα-helixtrans-59.2-47179.8-67.4165.3000110.4S193 W194 A199 L200 S201S193-I197 WeakPolarHBondContact O-CG1 3.23Å; S193-I197 PolarHBondContact O-N 3.31Å; W194-I197 PolarHBondContact O-N 3.2Å; I197-A199 VanDerWaalsContact C-N 3.32Å; I197-A199 PolarHBondContact O-N 2.85Å; I197-L200 PolarHBondContact O-N 2.7Å; I197-S201 WeakPolarHBondContact O-CB 3.31Å; I197-S201 PolarHBondContact O-N 2.92Å; I197-S201 PolarHBondContact O-OG 3.36Å
198K84.3Confident76.8Confident95 Ų9582.2 Ų82.241%0.41342%0.42SS..Hα-helixtrans-61.6-37.5177.1-176.6178.2179.9177.50113W194 I196 S201 R202W194-K198 WeakPolarHBondContact O-CB 3.43Å; W194-K198 PolarHBondContact O-N 2.9Å; I196-K198 VanDerWaalsContact C-N 3.34Å; I196-K198 PolarHBondContact O-N 2.99Å; K198-S201 PolarHBondContact O-OG 3.5Å; K198-S201 VanDerWaalsContact O-OG 3.06Å; K198-R202 VanDerWaalsContact O-CG 3.31Å; K198-R202 WeakPolarHBondContact O-CG 3.11Å; K198-R202 PolarHBondContact O-N 3.41Å
199A81Confident74.7Confident21 Ų2189.2 Ų89.217%0.17445%0.447CS..Hα-helixtrans-72.1-38.2177.400000111.7V110 N195 I196 I197 R203V110-A199 HydrophobicContact CB-CB 4.47Å; V110-A199 HydrophobicContact CG1-CB 4.36Å; V110-A199 HydrophobicContact CG2-CB 3.75Å; N195-A199 VanDerWaalsContact O-CB 3.28Å; N195-A199 WeakPolarHBondContact O-CB 3.47Å; N195-A199 PolarHBondContact O-N 3.13Å; I196-A199 PolarHBondContact O-N 3.13Å; I196-A199 VanDerWaalsContact O-N 3.17Å; I197-A199 VanDerWaalsContact C-N 3.32Å; I197-A199 PolarHBondContact O-N 2.85Å; A199-R203 WeakPolarHBondContact O-CG 3.45Å; A199-R203 PolarHBondContact O-N 3.39Å
200L76.6Confident72.8Confident46 Ų4693.4 Ų93.424%0.24147%0.466CS..Hα-helixtrans-68.6-44.2176.6-71.4173.6000111.5I196 I197 R202 R203 T204I196-L200 HydrophobicContact CG2-CD1 3.72Å; I196-L200 HydrophobicContact CG2-CG 4.27Å; I196-L200 WeakPolarHBondContact O-CB 3.36Å; I196-L200 WeakPolarHBondContact O-CG 3.2Å; I196-L200 PolarHBondContact O-N 3.22Å; I197-L200 PolarHBondContact O-N 2.7Å; L200-R202 VanDerWaalsContact C-N 3.33Å; L200-R202 PolarHBondContact O-N 2.96Å; L200-R203 PolarHBondContact O-N 2.87Å; L200-T204 PolarHBondContact O-N 3.35Å; L200-T204 PolarHBondContact O-OG1 3.4Å; L200-T204 VanDerWaalsContact O-OG1 3.06Å
201S76.4Confident71.4Confident60 Ų6093.9 Ų93.942%0.4247%0.466SS..Hα-helixtrans-59.4-43178.864.50000112.2I197 K198 R203 T204 E205I197-S201 WeakPolarHBondContact O-CB 3.31Å; I197-S201 PolarHBondContact O-N 2.92Å; I197-S201 PolarHBondContact O-OG 3.36Å; K198-S201 PolarHBondContact O-OG 3.5Å; K198-S201 VanDerWaalsContact O-OG 3.06Å; S201-R203 VanDerWaalsContact C-N 3.28Å; S201-R203 PolarHBondContact O-N 2.65Å; S201-T204 PolarHBondContact O-N 2.88Å; S201-E205 PolarHBondContact O-N 3Å
202R74.4Confident69.9Low148 Ų14894.5 Ų94.556%0.55847%0.469SS*.Hα-helixtrans-64.6-27.3175-72.2176.3175.3-158.6-5.9114.1K198 L200 N206K198-R202 VanDerWaalsContact O-CG 3.31Å; K198-R202 WeakPolarHBondContact O-CG 3.11Å; K198-R202 PolarHBondContact O-N 3.41Å; L200-R202 VanDerWaalsContact C-N 3.33Å; L200-R202 PolarHBondContact O-N 2.96Å; R202-N206 PolarHBondContact O-ND2 3.48Å
203R71.6Confident68.4Low125 Ų12598.1 Ų98.147%0.47249%0.488SS..Hα-helixtrans-79.8-37176.2-76.1-177.3-176.9176.28.4111.7L109 A199 L200 S201 E205 N206 L207L109-R203 PolarHBondContact O-NH2 2.68Å; A199-R203 WeakPolarHBondContact O-CG 3.45Å; A199-R203 PolarHBondContact O-N 3.39Å; L200-R203 PolarHBondContact O-N 2.87Å; S201-R203 VanDerWaalsContact C-N 3.28Å; S201-R203 PolarHBondContact O-N 2.65Å; R203-E205 PolarHBondContact O-N 2.88Å; R203-N206 PolarHBondContact O-N 3.44Å; R203-L207 PolarHBondContact O-N 2.91Å
204T62.9Low67.5Low105 Ų105100.4 Ų100.464%0.64450%0.499SS*.Hα-helixtrans-60.9-33.7176-54.70000112.2L200 S201 N206L200-T204 PolarHBondContact O-N 3.35Å; L200-T204 PolarHBondContact O-OG1 3.4Å; L200-T204 VanDerWaalsContact O-OG1 3.06Å; S201-T204 PolarHBondContact O-N 2.88Å; T204-N206 VanDerWaalsContact C-N 3.28Å; T204-N206 PolarHBondContact O-N 3.43Å
205E58.8Low66.6Low164 Ų16494.1 Ų94.177%0.76648%0.48SS*.THydrogen-bonded Turntrans-70.7-19.2174.8-72.7179.715700113.9S201 R203S201-E205 PolarHBondContact O-N 3Å; R203-E205 PolarHBondContact O-N 2.88Å
206N54.2Low65.7Low122 Ų12296.7 Ų96.765%0.65249%0.49SS*.THydrogen-bonded Turntrans-112.1-13.3-166.5-77.6-55.2000116.3R202 R203 T204R202-N206 PolarHBondContact O-ND2 3.48Å; R203-N206 PolarHBondContact O-N 3.44Å; T204-N206 VanDerWaalsContact C-N 3.28Å; T204-N206 PolarHBondContact O-N 3.43Å
207L49.7Very low64.9Low142 Ų14298.2 Ų98.274%0.74350%0.503SS*.  trans-174.8142.7170.4-101.1144.1000113.3R203 F209R203-L207 PolarHBondContact O-N 2.91Å; L207-F209 PolarHBondContact O-N 3.27Å
208A47.2Very low64.3Low104 Ų10494.3 Ų94.386%0.8648%0.483SS*.SBendtrans-73.131.8-178.200000116.3
209F48.8Very low63.9Low195 Ų19593.9 Ų93.986%0.85549%0.489SS*.  trans-113.579.8176.4-92.1-90.1000110.8L207L207-F209 PolarHBondContact O-N 3.27Å
210H51.7Low63.6Low93 Ų9394.3 Ų94.343%0.43149%0.488SS..  trans-79.5112.8171.8-169.887.4000109.7F212 T215H210-F212 VanDerWaalsContact C-N 3.34Å; H210-F212 AromaticContact CD2-CD1 3.78Å; H210-F212 AromaticContact CD2-CG 3.77Å; H210-F212 WeakPolarHBondContact O-CD2 3.4Å; H210-F212 PolarHBondContact O-N 2.8Å; H210-T215 PolarHBondContact CE1-OG1 3.34Å; H210-T215 VanDerWaalsContact NE2-CB 3.32Å; H210-T215 WeakPolarHBondContact NE2-CB 3.39Å; H210-T215 PolarHBondContact NE2-OG1 3.15Å
211D58.6Low63.4Low98 Ų9893 Ų9352%0.52448%0.482SS..  trans-7394.7164.4-168.1-3.9000108.4N213 D214D211-N213 PolarHBondContact O-N 3.44Å; D211-N213 WeakPolarHBondContact OD1-CB 3.48Å; D211-N213 PolarHBondContact OD1-N 3.41Å; D211-D214 PolarHBondContact O-N 3.46Å
212F58.6Low63.4Low142 Ų14293.5 Ų93.562%0.62348%0.475SS*.Hα-helixtrans-52.3-22.3179.3-78.6-87.3000113.4H210 K216H210-F212 VanDerWaalsContact C-N 3.34Å; H210-F212 AromaticContact CD2-CD1 3.78Å; H210-F212 AromaticContact CD2-CG 3.77Å; H210-F212 WeakPolarHBondContact O-CD2 3.4Å; H210-F212 PolarHBondContact O-N 2.8Å; F212-K216 WeakPolarHBondContact O-CD 3.31Å; F212-K216 VanDerWaalsContact O-CG 3.28Å; F212-K216 WeakPolarHBondContact O-CG 3.09Å; F212-K216 PolarHBondContact O-N 3.23Å
213N58.8Low63.8Low80 Ų8088 Ų8843%0.42846%0.461SS..Hα-helixtrans-73.9-38.9177.9-111.511.6000112.8D211 K216 A217D211-N213 PolarHBondContact O-N 3.44Å; D211-N213 WeakPolarHBondContact OD1-CB 3.48Å; D211-N213 PolarHBondContact OD1-N 3.41Å; N213-K216 PolarHBondContact O-N 2.93Å; N213-A217 PolarHBondContact O-N 3.5Å
214D64.4Low64.3Low61 Ų6182.3 Ų82.333%0.32644%0.44SS..Hα-helixtrans-70.3-35.7-178.6-84.9-16.6000111.8L109 D211 T218L109-D214 HydrophobicContact CD2-CB 4.2Å; D211-D214 PolarHBondContact O-N 3.46Å; D214-T218 WeakPolarHBondContact O-CB 3.48Å; D214-T218 PolarHBondContact O-N 3.37Å; D214-T218 PolarHBondContact O-OG1 2.88Å
215T67.7Low65.2Low44 Ų4477.9 Ų77.927%0.2741%0.413SS..Hα-helixtrans-67.8-43.1175.4-55.10000111.7H210 T218 V219H210-T215 PolarHBondContact CE1-OG1 3.34Å; H210-T215 VanDerWaalsContact NE2-CB 3.32Å; H210-T215 WeakPolarHBondContact NE2-CB 3.39Å; H210-T215 PolarHBondContact NE2-OG1 3.15Å; T215-T218 PolarHBondContact O-N 3.35Å; T215-V219 VanDerWaalsContact O-CG2 3.28Å; T215-V219 WeakPolarHBondContact O-CG2 3.5Å; T215-V219 PolarHBondContact O-N 3.45Å
216K67.8Low66.5Low89 Ų8975 Ų7539%0.38740%0.402SS..Hα-helixtrans-64.2-42.1176.6-73.1173.5-174.6173.90112.3F212 N213 T218 V219 L220F212-K216 WeakPolarHBondContact O-CD 3.31Å; F212-K216 VanDerWaalsContact O-CG 3.28Å; F212-K216 WeakPolarHBondContact O-CG 3.09Å; F212-K216 PolarHBondContact O-N 3.23Å; N213-K216 PolarHBondContact O-N 2.93Å; K216-T218 VanDerWaalsContact C-N 3.3Å; K216-T218 PolarHBondContact O-N 3.08Å; K216-V219 PolarHBondContact O-N 3.42Å; K216-L220 PolarHBondContact O-N 2.96Å
217A66.8Low68.3Low36 Ų3670.2 Ų70.230%0.29838%0.377SS..Hα-helixtrans-62.2-40.217500000111.4N213 L220 V221N213-A217 PolarHBondContact O-N 3.5Å; A217-L220 PolarHBondContact O-N 3.39Å; A217-V221 WeakPolarHBondContact O-CG2 3.17Å; A217-V221 PolarHBondContact O-N 3.49Å
218T70.3Confident70.1Confident10 Ų1063.5 Ų63.56%0.06134%0.342CS..Hα-helixtrans-66.7-43.5176.8-58.80000112I196 D214 T215 K216 L220 V221 Y222I196-T218 HydrophobicContact CG2-CG2 4.09Å; D214-T218 WeakPolarHBondContact O-CB 3.48Å; D214-T218 PolarHBondContact O-N 3.37Å; D214-T218 PolarHBondContact O-OG1 2.88Å; T215-T218 PolarHBondContact O-N 3.35Å; K216-T218 VanDerWaalsContact C-N 3.3Å; K216-T218 PolarHBondContact O-N 3.08Å; T218-L220 VanDerWaalsContact C-N 3.31Å; T218-L220 PolarHBondContact O-N 3.27Å; T218-V221 PolarHBondContact O-N 3.49Å; T218-Y222 HydrophobicContact CG2-CD2 3.87Å; T218-Y222 HydrophobicContact CG2-CE2 3.41Å; T218-Y222 VanDerWaalsContact CG2-CE2 3.41Å; T218-Y222 WeakPolarHBondContact O-CD2 3.24Å; T218-Y222 PolarHBondContact O-N 3.27Å; T218-Y222 VanDerWaalsContact O-N 3.1Å
219V75.6Confident72.1Confident87 Ų8761.1 Ų61.153%0.52731%0.314SS..Hα-helixtrans-59.6-40.4174.5168.70000111.6T215 K216 V221 Y222 A223T215-V219 VanDerWaalsContact O-CG2 3.28Å; T215-V219 WeakPolarHBondContact O-CG2 3.5Å; T215-V219 PolarHBondContact O-N 3.45Å; K216-V219 PolarHBondContact O-N 3.42Å; V219-V221 PolarHBondContact O-N 3.4Å; V219-Y222 PolarHBondContact O-N 2.95Å; V219-A223 WeakPolarHBondContact O-CB 3.3Å; V219-A223 PolarHBondContact O-N 2.94Å
220L75.3Confident74.2Confident29 Ų2956.9 Ų56.915%0.15230%0.3CS..Hα-helixtrans-61.3-44.1175.9175.165.4000111.7K216 A217 T218 Y222 A223 V224 L280 Y281K216-L220 PolarHBondContact O-N 2.96Å; A217-L220 PolarHBondContact O-N 3.39Å; T218-L220 VanDerWaalsContact C-N 3.31Å; T218-L220 PolarHBondContact O-N 3.27Å; L220-Y222 VanDerWaalsContact C-N 3.3Å; L220-Y222 PolarHBondContact O-N 2.93Å; L220-A223 PolarHBondContact O-N 2.82Å; L220-V224 HydrophobicContact CD1-CG2 3.94Å; L220-V224 HydrophobicContact CG-CG2 4.35Å; L220-V224 WeakPolarHBondContact O-CG2 3.46Å; L220-V224 PolarHBondContact O-N 2.87Å; L220-L280 HydrophobicContact CD1-CB 4.44Å; L220-Y281 HydrophobicContact CD1-CD1 4.27Å
221V73.1Confident76.2Confident20 Ų2052.7 Ų52.712%0.12128%0.281CS..Hα-helixtrans-61.6-40.8178174.80000111.3I101 R105 A217 T218 V219 T225I101-V221 HydrophobicContact CG2-CB 4.25Å; I101-V221 HydrophobicContact CG2-CG1 3.85Å; I101-V221 HydrophobicContact CG2-CG2 3.37Å; R105-V221 HydrophobicContact CG-CG2 3.95Å; A217-V221 WeakPolarHBondContact O-CG2 3.17Å; A217-V221 PolarHBondContact O-N 3.49Å; T218-V221 PolarHBondContact O-N 3.49Å; V219-V221 PolarHBondContact O-N 3.4Å; V221-T225 WeakPolarHBondContact O-CB 3.42Å; V221-T225 PolarHBondContact O-N 3.13Å; V221-T225 PolarHBondContact O-OG1 2.87Å
222Y76.4Confident77.8Confident69 Ų6948.1 Ų48.127%0.27126%0.256SS..Hα-helixtrans-64.2-44.4174.4-75-58.3000113S193 T218 V219 L220 V224 T225 L226S193-Y222 WeakPolarHBondContact CA-OH 3.21Å; S193-Y222 VanDerWaalsContact CB-CE1 3.44Å; S193-Y222 VanDerWaalsContact CB-OH 3.24Å; S193-Y222 WeakPolarHBondContact CB-OH 3.29Å; S193-Y222 PolarHBondContact O-OH 2.83Å; S193-Y222 VanDerWaalsContact O-OH 3.12Å; S193-Y222 WeakPolarHBondContact OG-CE1 3.32Å; T218-Y222 HydrophobicContact CG2-CD2 3.87Å; T218-Y222 HydrophobicContact CG2-CE2 3.41Å; T218-Y222 VanDerWaalsContact CG2-CE2 3.41Å; T218-Y222 WeakPolarHBondContact O-CD2 3.24Å; T218-Y222 PolarHBondContact O-N 3.27Å; T218-Y222 VanDerWaalsContact O-N 3.1Å; V219-Y222 PolarHBondContact O-N 2.95Å; L220-Y222 VanDerWaalsContact C-N 3.3Å; L220-Y222 PolarHBondContact O-N 2.93Å; Y222-V224 VanDerWaalsContact C-N 3.33Å; Y222-V224 PolarHBondContact O-N 3.39Å; Y222-T225 PolarHBondContact O-N 3.32Å; Y222-L226 VanDerWaalsContact O-CB 3.31Å; Y222-L226 WeakPolarHBondContact O-CB 3.48Å; Y222-L226 PolarHBondContact O-N 2.91Å
223A82.3Confident79.4Confident33 Ų3341.8 Ų41.827%0.27323%0.23SC..Hα-helixtrans-60.9-43.7178.600000111.6V219 L220 L226 L227V219-A223 WeakPolarHBondContact O-CB 3.3Å; V219-A223 PolarHBondContact O-N 2.94Å; L220-A223 PolarHBondContact O-N 2.82Å; A223-L226 PolarHBondContact O-N 2.91Å; A223-L227 WeakPolarHBondContact O-CB 3.36Å; A223-L227 PolarHBondContact O-N 3.24Å
224V81.2Confident81Confident5 Ų540.3 Ų40.33%0.0323%0.225CC..Hα-helixtrans-69.8-39.5179.6-179.40000111.1L98 L220 Y222 L227 F228 L280 Y281L98-V224 HydrophobicContact CD2-CB 4.37Å; L98-V224 HydrophobicContact CD2-CG1 3.44Å; L98-V224 VanDerWaalsContact CD2-CG1 3.44Å; L220-V224 HydrophobicContact CD1-CG2 3.94Å; L220-V224 HydrophobicContact CG-CG2 4.35Å; L220-V224 WeakPolarHBondContact O-CG2 3.46Å; L220-V224 PolarHBondContact O-N 2.87Å; Y222-V224 VanDerWaalsContact C-N 3.33Å; Y222-V224 PolarHBondContact O-N 3.39Å; V224-L227 PolarHBondContact O-N 2.88Å; V224-F228 PolarHBondContact O-N 2.96Å; V224-L280 HydrophobicContact CB-CD1 4.3Å; V224-L280 HydrophobicContact CG2-CB 4.2Å; V224-L280 HydrophobicContact CG2-CD1 3.8Å; V224-Y281 HydrophobicContact CG1-CE1 4.31Å; V224-Y281 HydrophobicContact CG2-CD1 4.34Å; V224-Y281 HydrophobicContact CG2-CE1 3.6Å
225T82.1Confident82.4Confident13 Ų1339 Ų398%0.0822%0.217CC..Hα-helixtrans-61.7-48.4173.7-59.20000110.9I189 V221 Y222 L227 F228 L229I189-T225 HydrophobicContact CD1-CG2 4.25Å; I189-T225 HydrophobicContact CG2-CG2 3.57Å; V221-T225 WeakPolarHBondContact O-CB 3.42Å; V221-T225 PolarHBondContact O-N 3.13Å; V221-T225 PolarHBondContact O-OG1 2.87Å; Y222-T225 PolarHBondContact O-N 3.32Å; T225-L227 VanDerWaalsContact C-N 3.33Å; T225-L227 PolarHBondContact O-N 2.9Å; T225-F228 WeakPolarHBondContact O-CB 3.49Å; T225-F228 PolarHBondContact O-N 3.44Å; T225-L229 HydrophobicContact CG2-CD1 4.29Å; T225-L229 WeakPolarHBondContact O-CG 3.43Å; T225-L229 PolarHBondContact O-N 2.95Å
226L87.3Confident83.5Confident102 Ų10237 Ų3753%0.53420%0.204SC..Hα-helixtrans-61.7-43.5-179.7-178.963.3000111Y222 A223 F228 L229 L230Y222-L226 VanDerWaalsContact O-CB 3.31Å; Y222-L226 WeakPolarHBondContact O-CB 3.48Å; Y222-L226 PolarHBondContact O-N 2.91Å; A223-L226 PolarHBondContact O-N 2.91Å; L226-F228 VanDerWaalsContact C-N 3.32Å; L226-F228 PolarHBondContact O-N 2.86Å; L226-L229 PolarHBondContact O-N 2.92Å; L226-L230 HydrophobicContact CD1-CD1 4.39Å; L226-L230 HydrophobicContact CD1-CG 4.35Å; L226-L230 HydrophobicContact CG-CD1 4.01Å; L226-L230 HydrophobicContact CG-CG 4.4Å; L226-L230 VanDerWaalsContact O-CG 3.28Å; L226-L230 WeakPolarHBondContact O-CG 3.29Å; L226-L230 PolarHBondContact O-N 3.18Å
227L90.1Very high84.7Confident22 Ų2236.3 Ų36.312%0.11521%0.208CC..Hα-helixtrans-56-48173.8172.465.2000111.4A223 V224 T225 L229 L230 C231 L276 L280A223-L227 WeakPolarHBondContact O-CB 3.36Å; A223-L227 PolarHBondContact O-N 3.24Å; V224-L227 PolarHBondContact O-N 2.88Å; T225-L227 VanDerWaalsContact C-N 3.33Å; T225-L227 PolarHBondContact O-N 2.9Å; L227-L229 VanDerWaalsContact C-N 3.31Å; L227-L229 PolarHBondContact O-N 3.31Å; L227-L230 PolarHBondContact O-N 3.19Å; L227-C231 WeakPolarHBondContact O-CB 3.41Å; L227-C231 PolarHBondContact O-N 3.3Å; L227-L276 HydrophobicContact CD1-CB 3.99Å; L227-L276 HydrophobicContact CD1-CD1 3.52Å; L227-L276 HydrophobicContact CD1-CG 4.41Å; L227-L276 HydrophobicContact CD2-CB 3.48Å; L227-L276 VanDerWaalsContact CD2-CB 3.48Å; L227-L276 HydrophobicContact CG-CB 4.33Å; L227-L280 HydrophobicContact CB-CD1 3.9Å; L227-L280 HydrophobicContact CD2-CD1 3.36Å; L227-L280 HydrophobicContact CD2-CG 4.13Å; L227-L280 HydrophobicContact CG-CD1 4.25Å
228F87.7Confident86Confident2 Ų235.9 Ų35.91%0.00920%0.2CC..Hα-helixtrans-57.7-45.5178.2-176.8-84.1000111.6F91 I95 L98 V224 T225 L226 L230 C231 W232 N273F91-F228 AromaticContact CD2-CZ 3.88Å; F91-F228 HydrophobicContact CD2-CZ 3.88Å; F91-F228 HydrophobicContact CE2-CE1 4.3Å; F91-F228 AromaticContact CE2-CZ 3.68Å; F91-F228 HydrophobicContact CE2-CZ 3.68Å; I95-F228 HydrophobicContact CB-CE1 3.95Å; I95-F228 HydrophobicContact CB-CE2 4.08Å; I95-F228 HydrophobicContact CB-CZ 3.54Å; I95-F228 HydrophobicContact CD1-CD1 3.66Å; I95-F228 HydrophobicContact CD1-CE1 3.44Å; I95-F228 VanDerWaalsContact CD1-CE1 3.44Å; I95-F228 HydrophobicContact CD1-CG 4.35Å; I95-F228 HydrophobicContact CD1-CZ 3.95Å; I95-F228 HydrophobicContact CG1-CD1 4.5Å; I95-F228 HydrophobicContact CG1-CE1 3.8Å; I95-F228 HydrophobicContact CG1-CZ 3.94Å; L98-F228 HydrophobicContact CD1-CB 3.57Å; L98-F228 HydrophobicContact CD1-CD1 4.45Å; L98-F228 HydrophobicContact CD1-CD2 3.82Å; L98-F228 HydrophobicContact CD1-CG 3.68Å; V224-F228 PolarHBondContact O-N 2.96Å; T225-F228 WeakPolarHBondContact O-CB 3.49Å; T225-F228 PolarHBondContact O-N 3.44Å; L226-F228 VanDerWaalsContact C-N 3.32Å; L226-F228 PolarHBondContact O-N 2.86Å; F228-L230 PolarHBondContact O-N 3.01Å; F228-C231 PolarHBondContact O-N 3.33Å; F228-W232 HydrophobicContact CD1-CB 4.39Å; F228-W232 AromaticContact CD2-CD1 3.57Å; F228-W232 HydrophobicContact CD2-CG 4.44Å; F228-W232 HydrophobicContact CE1-CB 3.95Å; F228-W232 HydrophobicContact CE1-CG 4.13Å; F228-W232 AromaticContact CE2-CD1 3.32Å; F228-W232 AromaticContact CE2-CG 3.95Å; F228-W232 HydrophobicContact CE2-CG 3.95Å; F228-W232 AromaticContact CE2-NE1 3.6Å; F228-W232 HydrophobicContact CZ-CB 4.06Å; F228-W232 AromaticContact CZ-CD1 3.61Å; F228-W232 HydrophobicContact CZ-CD2 4.4Å; F228-W232 AromaticContact CZ-CG 3.75Å; F228-W232 HydrophobicContact CZ-CG 3.75Å; F228-W232 WeakPolarHBondContact O-CB 3.26Å; F228-W232 PolarHBondContact O-N 3.11Å; F228-N273 WeakPolarHBondContact CA-OD1 3.47Å
229L89.5Confident86.9Confident53 Ų5335.9 Ų35.928%0.27720%0.2SC..Hα-helixtrans-66.1-36.7178.5-61.5177.8000112.6F182 V186 T225 L226 L227 G233F182-L229 HydrophobicContact CE2-CD2 3.77Å; F182-L229 HydrophobicContact CZ-CD2 4.33Å; V186-L229 HydrophobicContact CG2-CD2 3.54Å; T225-L229 HydrophobicContact CG2-CD1 4.29Å; T225-L229 WeakPolarHBondContact O-CG 3.43Å; T225-L229 PolarHBondContact O-N 2.95Å; L226-L229 PolarHBondContact O-N 2.92Å; L227-L229 VanDerWaalsContact C-N 3.31Å; L227-L229 PolarHBondContact O-N 3.31Å; L229-G233 WeakPolarHBondContact O-CA 2.83Å; L229-G233 PolarHBondContact O-N 3.03Å
230L92.6Very high87.7Confident107 Ų10736.6 Ų36.656%0.5620%0.196SC*.Hα-helixtrans-69.1-38.1176.6-70.6172.2000112L226 L227 F228 P234L226-L230 HydrophobicContact CD1-CD1 4.39Å; L226-L230 HydrophobicContact CD1-CG 4.35Å; L226-L230 HydrophobicContact CG-CD1 4.01Å; L226-L230 HydrophobicContact CG-CG 4.4Å; L226-L230 VanDerWaalsContact O-CG 3.28Å; L226-L230 WeakPolarHBondContact O-CG 3.29Å; L226-L230 PolarHBondContact O-N 3.18Å; L227-L230 PolarHBondContact O-N 3.19Å; F228-L230 PolarHBondContact O-N 3.01Å; L230-P234 WeakPolarHBondContact O-CD 3.09Å
231C93.5Very high88.4Confident4 Ų436.9 Ų36.93%0.02720%0.198CC..Hα-helixtrans-77.5-48.1-179.6-750000112.7L227 F228 L269 A270 N273L227-C231 WeakPolarHBondContact O-CB 3.41Å; L227-C231 PolarHBondContact O-N 3.3Å; F228-C231 PolarHBondContact O-N 3.33Å; C231-L269 WeakPolarHBondContact CB-O 3.39Å; C231-A270 VanDerWaalsContact O-CA 3.31Å; C231-A270 WeakPolarHBondContact O-CA 3.48Å; C231-A270 PolarHBondContact O-N 3.35Å; C231-N273 HydrophobicContact CB-CB 3.7Å
232W92.6Very high89.2Confident3 Ų337.4 Ų37.41%0.01120%0.2CC..Hα-helixtrans-92.9-27.1-174.8-74.493.3000113.8I87 F91 F228 F235 Q236 A270I87-W232 HydrophobicContact CG2-CH2 4.42Å; F91-W232 HydrophobicContact CB-CH2 3.68Å; F91-W232 HydrophobicContact CB-CZ2 4.06Å; F91-W232 HydrophobicContact CB-CZ3 3.99Å; F91-W232 AromaticContact CD2-CD2 3.46Å; F91-W232 HydrophobicContact CD2-CD2 3.46Å; F91-W232 VanDerWaalsContact CD2-CD2 3.46Å; F91-W232 AromaticContact CD2-CE2 3.81Å; F91-W232 AromaticContact CD2-CE3 3.29Å; F91-W232 HydrophobicContact CD2-CE3 3.29Å; F91-W232 HydrophobicContact CD2-CG 4.15Å; F91-W232 AromaticContact CD2-CH2 3.86Å; F91-W232 HydrophobicContact CD2-CH2 3.86Å; F91-W232 HydrophobicContact CD2-CZ2 4Å; F91-W232 AromaticContact CD2-CZ3 3.51Å; F91-W232 HydrophobicContact CD2-CZ3 3.51Å; F91-W232 HydrophobicContact CE2-CB 4.34Å; F91-W232 AromaticContact CE2-CD2 3.83Å; F91-W232 HydrophobicContact CE2-CD2 3.83Å; F91-W232 AromaticContact CE2-CE3 3.62Å; F91-W232 HydrophobicContact CE2-CE3 3.62Å; F91-W232 HydrophobicContact CE2-CG 4.17Å; F91-W232 HydrophobicContact CE2-CZ3 4.2Å; F91-W232 HydrophobicContact CG-CE3 4.14Å; F91-W232 HydrophobicContact CG-CH2 4.08Å; F91-W232 HydrophobicContact CG-CZ2 4.48Å; F91-W232 AromaticContact CG-CZ3 3.89Å; F91-W232 HydrophobicContact CG-CZ3 3.89Å; F228-W232 HydrophobicContact CD1-CB 4.39Å; F228-W232 AromaticContact CD2-CD1 3.57Å; F228-W232 HydrophobicContact CD2-CG 4.44Å; F228-W232 HydrophobicContact CE1-CB 3.95Å; F228-W232 HydrophobicContact CE1-CG 4.13Å; F228-W232 AromaticContact CE2-CD1 3.32Å; F228-W232 AromaticContact CE2-CG 3.95Å; F228-W232 HydrophobicContact CE2-CG 3.95Å; F228-W232 AromaticContact CE2-NE1 3.6Å; F228-W232 HydrophobicContact CZ-CB 4.06Å; F228-W232 AromaticContact CZ-CD1 3.61Å; F228-W232 HydrophobicContact CZ-CD2 4.4Å; F228-W232 AromaticContact CZ-CG 3.75Å; F228-W232 HydrophobicContact CZ-CG 3.75Å; F228-W232 WeakPolarHBondContact O-CB 3.26Å; F228-W232 PolarHBondContact O-N 3.11Å; W232-F235 WeakPolarHBondContact O-CB 3.41Å; W232-F235 PolarHBondContact O-N 3.29Å; W232-F235 VanDerWaalsContact O-N 3.14Å; W232-Q236 WeakPolarHBondContact O-CG 3.08Å; W232-Q236 PolarHBondContact O-N 3.18Å; W232-Q236 VanDerWaalsContact O-N 3.1Å; W232-A270 HydrophobicContact CD2-CB 3.59Å; W232-A270 HydrophobicContact CE3-CB 3.57Å; W232-A270 HydrophobicContact CG-CB 4.18Å; W232-A270 HydrophobicContact CH2-CB 4.07Å; W232-A270 HydrophobicContact CZ2-CB 4.09Å; W232-A270 HydrophobicContact CZ3-CB 3.82Å
233G91.6Very high89.7Confident8 Ų834.6 Ų34.68%0.08219%0.19CC..Hα-helixtrans-55.3-45.6-176.600000113.9L229 F235 Q236 V237L229-G233 WeakPolarHBondContact O-CA 2.83Å; L229-G233 PolarHBondContact O-N 3.03Å; G233-F235 VanDerWaalsContact C-N 3.29Å; G233-F235 PolarHBondContact O-N 3.13Å; G233-Q236 PolarHBondContact O-N 2.87Å; G233-Q236 VanDerWaalsContact O-N 3.14Å; G233-V237 WeakPolarHBondContact O-CG2 3.47Å; G233-V237 PolarHBondContact O-N 3.3Å
234P93.9Very high90.1Very high49 Ų4934.9 Ų34.932%0.31819%0.187SC..Hα-helixtrans-56.5-42.4177.2-28.838.3000112.9L230 V237 L238 L269L230-P234 WeakPolarHBondContact O-CD 3.09Å; P234-V237 PolarHBondContact O-N 3.26Å; P234-L238 VanDerWaalsContact O-CG 3.3Å; P234-L238 WeakPolarHBondContact O-CG 3.34Å; P234-L238 PolarHBondContact O-N 3.47Å; P234-L269 HydrophobicContact CG-CD2 3.94Å
235F92.8Very high90.4Very high33 Ų3335.5 Ų35.515%0.14519%0.191CC..Hα-helixtrans-65-41.3178179.4-91.2000111.7M177 W232 G233 L238 T239 S266 V267M177-F235 HydrophobicContact CE-CD1 4.24Å; M177-F235 HydrophobicContact CE-CE1 3.47Å; M177-F235 VanDerWaalsContact CE-CE1 3.47Å; M177-F235 HydrophobicContact CE-CZ 4.34Å; M177-F235 HydrophobicContact SD-CE1 4.06Å; W232-F235 WeakPolarHBondContact O-CB 3.41Å; W232-F235 PolarHBondContact O-N 3.29Å; W232-F235 VanDerWaalsContact O-N 3.14Å; G233-F235 VanDerWaalsContact C-N 3.29Å; G233-F235 PolarHBondContact O-N 3.13Å; F235-L238 PolarHBondContact O-N 3.1Å; F235-T239 WeakPolarHBondContact CE1-OG1 3.48Å; F235-T239 WeakPolarHBondContact O-CB 3.49Å; F235-T239 PolarHBondContact O-N 3.47Å; F235-T239 PolarHBondContact O-OG1 3.1Å; F235-S266 WeakPolarHBondContact CA-OG 3.49Å; F235-V267 HydrophobicContact CD2-CB 3.98Å; F235-V267 HydrophobicContact CD2-CG2 4.37Å; F235-V267 HydrophobicContact CE2-CB 4.12Å; F235-V267 HydrophobicContact CE2-CG2 4.25Å
236Q92.3Very high90.5Very high2 Ų238 Ų381%0.00920%0.204CC..Hα-helixtrans-67.4-40177.9-60.6-61.3-35.400111.9N178 F182 W232 G233 T239 F240N178-Q236 PolarHBondContact OD1-O 2.9Å; N178-Q236 VanDerWaalsContact OD1-O 3.09Å; N178-Q236 PolarHBondContact OD1-OE1 2.87Å; F182-Q236 HydrophobicContact CB-CB 4.18Å; F182-Q236 HydrophobicContact CB-CG 3.89Å; F182-Q236 HydrophobicContact CD1-CB 4.13Å; F182-Q236 HydrophobicContact CD2-CB 3.97Å; F182-Q236 HydrophobicContact CD2-CG 3.64Å; F182-Q236 HydrophobicContact CE1-CB 4.5Å; F182-Q236 HydrophobicContact CE2-CB 4.34Å; F182-Q236 HydrophobicContact CE2-CG 4.28Å; F182-Q236 HydrophobicContact CG-CB 3.83Å; F182-Q236 HydrophobicContact CG-CG 3.8Å; W232-Q236 WeakPolarHBondContact O-CG 3.08Å; W232-Q236 PolarHBondContact O-N 3.18Å; W232-Q236 VanDerWaalsContact O-N 3.1Å; G233-Q236 PolarHBondContact O-N 2.87Å; G233-Q236 VanDerWaalsContact O-N 3.14Å; Q236-T239 PolarHBondContact O-N 3.37Å; Q236-F240 WeakPolarHBondContact O-CB 3.48Å; Q236-F240 PolarHBondContact O-N 3.25Å
237V92.8Very high90.5Very high76 Ų7636.3 Ų36.346%0.46120%0.198SC..Hα-helixtrans-62.7-45.3176171.30000110.8G233 P234 F240 L241G233-V237 WeakPolarHBondContact O-CG2 3.47Å; G233-V237 PolarHBondContact O-N 3.3Å; P234-V237 PolarHBondContact O-N 3.26Å; V237-F240 WeakPolarHBondContact O-CB 3.45Å; V237-F240 PolarHBondContact O-N 3.21Å; V237-L241 HydrophobicContact CG1-CD1 4.2Å; V237-L241 WeakPolarHBondContact O-CG 3.38Å; V237-L241 PolarHBondContact O-N 2.88Å
238L92.8Very high90.3Very high26 Ų2643.8 Ų43.814%0.13623%0.232CC..Hα-helixtrans-66.8-42179-68.6165.6000112.1P234 F235 F240 L241 D242 L259 G262 D263 S266P234-L238 VanDerWaalsContact O-CG 3.3Å; P234-L238 WeakPolarHBondContact O-CG 3.34Å; P234-L238 PolarHBondContact O-N 3.47Å; F235-L238 PolarHBondContact O-N 3.1Å; L238-F240 VanDerWaalsContact C-N 3.27Å; L238-F240 PolarHBondContact O-N 3.05Å; L238-L241 PolarHBondContact O-N 2.99Å; L238-L241 VanDerWaalsContact O-N 3.13Å; L238-D242 PolarHBondContact O-N 2.77Å; L238-L259 HydrophobicContact CB-CD2 4.48Å; L238-L259 HydrophobicContact CD2-CD2 4.1Å; L238-G262 VanDerWaalsContact CD1-O 3.24Å; L238-G262 WeakPolarHBondContact CD1-O 3.39Å; L238-D263 VanDerWaalsContact CB-OD1 3.32Å; L238-D263 WeakPolarHBondContact CB-OD1 3.23Å; L238-S266 WeakPolarHBondContact CD1-OG 3.27Å
239T89.8Confident90.4Very high10 Ų1048.5 Ų48.56%0.06126%0.261CS..Hα-helixtrans-59.5-40.1173.4-57.90000111.2Q174 F235 Q236 D242 T243Q174-T239 HydrophobicContact CB-CG2 4.14Å; Q174-T239 HydrophobicContact CG-CG2 3.98Å; F235-T239 WeakPolarHBondContact CE1-OG1 3.48Å; F235-T239 WeakPolarHBondContact O-CB 3.49Å; F235-T239 PolarHBondContact O-N 3.47Å; F235-T239 PolarHBondContact O-OG1 3.1Å; Q236-T239 PolarHBondContact O-N 3.37Å; T239-D242 PolarHBondContact O-N 3.14Å; T239-T243 PolarHBondContact O-N 3.29Å; T239-T243 PolarHBondContact O-OG1 3.16Å
240F91.8Very high90.3Very high103 Ų10348.4 Ų48.445%0.45226%0.26SS..Hα-helixtrans-66.1-39.7174.9178.5-106.1000112.8N178 Q236 V237 L238 T243 L244N178-F240 VanDerWaalsContact ND2-CA 3.35Å; N178-F240 WeakPolarHBondContact ND2-CA 3.46Å; N178-F240 PolarHBondContact ND2-N 2.76Å; Q236-F240 WeakPolarHBondContact O-CB 3.48Å; Q236-F240 PolarHBondContact O-N 3.25Å; V237-F240 WeakPolarHBondContact O-CB 3.45Å; V237-F240 PolarHBondContact O-N 3.21Å; L238-F240 VanDerWaalsContact C-N 3.27Å; L238-F240 PolarHBondContact O-N 3.05Å; F240-T243 WeakPolarHBondContact O-CB 3.29Å; F240-T243 PolarHBondContact O-N 3.07Å; F240-L244 HydrophobicContact CD1-CD1 4.22Å; F240-L244 HydrophobicContact CE1-CD1 3.68Å; F240-L244 HydrophobicContact CE1-CG 4.17Å; F240-L244 HydrophobicContact CZ-CD1 4.08Å; F240-L244 HydrophobicContact CZ-CD2 4.23Å; F240-L244 HydrophobicContact CZ-CG 4.2Å; F240-L244 WeakPolarHBondContact O-CG 3.48Å; F240-L244 PolarHBondContact O-N 3.47Å
241L91.5Very high90Very high35 Ų3547.8 Ų47.818%0.18326%0.258CS..Hα-helixtrans-66.1-38.2174.6-68.9173.5000111.9V237 L238 T243 L244 C245 L250 W255 L259V237-L241 HydrophobicContact CG1-CD1 4.2Å; V237-L241 WeakPolarHBondContact O-CG 3.38Å; V237-L241 PolarHBondContact O-N 2.88Å; L238-L241 PolarHBondContact O-N 2.99Å; L238-L241 VanDerWaalsContact O-N 3.13Å; L241-T243 VanDerWaalsContact C-N 3.33Å; L241-L244 HydrophobicContact CD2-CD1 4.4Å; L241-L244 PolarHBondContact O-N 2.95Å; L241-C245 PolarHBondContact O-N 2.86Å; L241-C245 PolarHBondContact O-SG 3.36Å; L241-L250 HydrophobicContact CD2-CD1 3.81Å; L241-W255 HydrophobicContact CD1-CE3 4.47Å; L241-W255 HydrophobicContact CD1-CH2 4.38Å; L241-W255 HydrophobicContact CD1-CZ3 3.91Å; L241-L259 HydrophobicContact CB-CD2 3.86Å
242D88.4Confident89.6Confident30 Ų3049.2 Ų49.216%0.1627%0.273CS..Hα-helixtrans-62-42.4172.3-169.852.5000110.9K170 Q174 L238 T239 L244 C245 D246 L259K170-D242 WeakPolarHBondContact CE-OD2 3.28Å; K170-D242 IonicContact NZ-OD1 3.77Å; K170-D242 IonicContact NZ-OD2 3.84Å; K170-D242 PolarHBondContact NZ-OD2 3.24Å; Q174-D242 PolarHBondContact NE2-OD2 2.82Å; L238-D242 PolarHBondContact O-N 2.77Å; T239-D242 PolarHBondContact O-N 3.14Å; D242-L244 VanDerWaalsContact C-N 3.3Å; D242-L244 PolarHBondContact O-N 3.37Å; D242-C245 WeakPolarHBondContact O-CB 3.14Å; D242-C245 PolarHBondContact O-N 3.07Å; D242-C245 VanDerWaalsContact O-N 3.07Å; D242-D246 PolarHBondContact O-N 3.48Å; D242-L259 HydrophobicContact CB-CD1 4.18Å; D242-L259 HydrophobicContact CB-CD2 4.5Å
243T88Confident89.2Confident10 Ų1057.7 Ų57.76%0.06131%0.31CS..Hα-helixtrans-57.8-41.4172.6-61.20000112.2L171 Q174 I175 T239 F240 L241 C245 D246 V247L171-T243 HydrophobicContact CD1-CG2 3.63Å; Q174-T243 VanDerWaalsContact CB-OG1 3.3Å; Q174-T243 WeakPolarHBondContact CB-OG1 3.26Å; Q174-T243 PolarHBondContact OE1-OG1 2.91Å; I175-T243 HydrophobicContact CG1-CG2 4.2Å; T239-T243 PolarHBondContact O-N 3.29Å; T239-T243 PolarHBondContact O-OG1 3.16Å; F240-T243 WeakPolarHBondContact O-CB 3.29Å; F240-T243 PolarHBondContact O-N 3.07Å; L241-T243 VanDerWaalsContact C-N 3.33Å; T243-C245 VanDerWaalsContact C-N 3.3Å; T243-C245 PolarHBondContact O-N 2.92Å; T243-D246 PolarHBondContact O-N 3.21Å; T243-V247 WeakPolarHBondContact O-CG2 3.38Å; T243-V247 PolarHBondContact O-N 3.01Å; T243-V247 VanDerWaalsContact O-N 3.08Å
244L89.3Confident89Confident40 Ų4063.4 Ų63.421%0.20934%0.338CS..Hα-helixtrans-67.2-29.7176.7-69.9-179000112.9F240 L241 D242 V247 E248 V249 L250F240-L244 HydrophobicContact CD1-CD1 4.22Å; F240-L244 HydrophobicContact CE1-CD1 3.68Å; F240-L244 HydrophobicContact CE1-CG 4.17Å; F240-L244 HydrophobicContact CZ-CD1 4.08Å; F240-L244 HydrophobicContact CZ-CD2 4.23Å; F240-L244 HydrophobicContact CZ-CG 4.2Å; F240-L244 WeakPolarHBondContact O-CG 3.48Å; F240-L244 PolarHBondContact O-N 3.47Å; L241-L244 HydrophobicContact CD2-CD1 4.4Å; L241-L244 PolarHBondContact O-N 2.95Å; D242-L244 VanDerWaalsContact C-N 3.3Å; D242-L244 PolarHBondContact O-N 3.37Å; L244-V247 HydrophobicContact CD2-CG2 4.43Å; L244-E248 PolarHBondContact O-N 3.02Å; L244-V249 HydrophobicContact CB-CB 4.42Å; L244-V249 HydrophobicContact CD2-CB 4.29Å; L244-V249 HydrophobicContact CD2-CG1 4.28Å; L244-V249 PolarHBondContact O-N 3.49Å; L244-L250 HydrophobicContact CB-CB 4.46Å; L244-L250 HydrophobicContact CB-CD1 3.73Å; L244-L250 HydrophobicContact CB-CG 3.93Å; L244-L250 HydrophobicContact CD1-CD1 4.02Å; L244-L250 HydrophobicContact CD1-CG 4.47Å; L244-L250 PolarHBondContact O-N 2.98Å; L244-L250 VanDerWaalsContact O-N 3.15Å
245C87.8Confident88.7Confident17 Ų1764.9 Ų64.912%0.11534%0.337CS..Hα-helixtrans-70.6-42.9170.8-61.70000110.9L241 D242 T243 V247 E248L241-C245 PolarHBondContact O-N 2.86Å; L241-C245 PolarHBondContact O-SG 3.36Å; D242-C245 WeakPolarHBondContact O-CB 3.14Å; D242-C245 PolarHBondContact O-N 3.07Å; D242-C245 VanDerWaalsContact O-N 3.07Å; T243-C245 VanDerWaalsContact C-N 3.3Å; T243-C245 PolarHBondContact O-N 2.92Å; C245-V247 VanDerWaalsContact C-N 3.27Å; C245-V247 PolarHBondContact O-N 2.89Å; C245-E248 PolarHBondContact O-N 3.49Å
246D84.6Confident88.2Confident67 Ų6766.5 Ų66.536%0.35835%0.352SS..Hα-helixtrans-62.3-30.6178.4-78.6-13.7000112.9K170 D242 T243K170-D246 WeakPolarHBondContact CD-OD2 3.38Å; K170-D246 VanDerWaalsContact CE-OD2 3.25Å; K170-D246 WeakPolarHBondContact CE-OD2 3.29Å; K170-D246 IonicContact NZ-OD1 2.87Å; K170-D246 PolarHBondContact NZ-OD1 2.89Å; K170-D246 IonicContact NZ-OD2 2.65Å; K170-D246 PolarHBondContact NZ-OD2 3.35Å; D242-D246 PolarHBondContact O-N 3.48Å; T243-D246 PolarHBondContact O-N 3.21Å
247V87.4Confident87.8Confident66 Ų6672 Ų7240%0.438%0.378SS..THydrogen-bonded Turntrans-94.214.2175-57.70000113.8L171 T243 L244 C245 V249L171-V247 HydrophobicContact CD1-CG1 3.79Å; L171-V247 HydrophobicContact CD2-CG1 3.99Å; T243-V247 WeakPolarHBondContact O-CG2 3.38Å; T243-V247 PolarHBondContact O-N 3.01Å; T243-V247 VanDerWaalsContact O-N 3.08Å; L244-V247 HydrophobicContact CD2-CG2 4.43Å; C245-V247 VanDerWaalsContact C-N 3.27Å; C245-V247 PolarHBondContact O-N 2.89Å; V247-V249 HydrophobicContact CG2-CB 4.29Å; V247-V249 HydrophobicContact CG2-CG2 3.75Å; V247-V249 PolarHBondContact O-N 3.17Å
248E85.9Confident87.5Confident179 Ų17971.9 Ų71.984%0.83638%0.377SS*.THydrogen-bonded Turntrans61.122.7175.7-54.1-177.216800115.1L244 C245L244-E248 PolarHBondContact O-N 3.02Å; C245-E248 PolarHBondContact O-N 3.49Å
249V89.4Confident87.3Confident100 Ų10071 Ų7161%0.60637%0.373SS*.SBendtrans-81.6-32.9173.1172.40000111.1L244 V247L244-V249 HydrophobicContact CB-CB 4.42Å; L244-V249 HydrophobicContact CD2-CB 4.29Å; L244-V249 HydrophobicContact CD2-CG1 4.28Å; L244-V249 PolarHBondContact O-N 3.49Å; V247-V249 HydrophobicContact CG2-CB 4.29Å; V247-V249 HydrophobicContact CG2-CG2 3.75Å; V247-V249 PolarHBondContact O-N 3.17Å
250L87.8Confident86.9Confident51 Ų5173 Ų7327%0.26739%0.387SS..SBendtrans-116.3151.2176-67.9178.3000111.2L241 L244 G252L241-L250 HydrophobicContact CD2-CD1 3.81Å; L244-L250 HydrophobicContact CB-CB 4.46Å; L244-L250 HydrophobicContact CB-CD1 3.73Å; L244-L250 HydrophobicContact CB-CG 3.93Å; L244-L250 HydrophobicContact CD1-CD1 4.02Å; L244-L250 HydrophobicContact CD1-CG 4.47Å; L244-L250 PolarHBondContact O-N 2.98Å; L244-L250 VanDerWaalsContact O-N 3.15Å; L250-G252 PolarHBondContact O-N 3.13Å; L250-G252 VanDerWaalsContact O-N 3.13Å
251D87Confident86.5Confident95 Ų9570 Ų7051%0.50838%0.375SS..  trans-73.5104175.6-176.4-4.2000111K253 L254 W255D251-K253 PolarHBondContact O-N 3.26Å; D251-K253 WeakPolarHBondContact OD1-CB 3.4Å; D251-K253 PolarHBondContact OD1-N 3.37Å; D251-L254 HydrophobicContact CB-CB 4.15Å; D251-L254 PolarHBondContact O-N 3.23Å; D251-W255 PolarHBondContact O-N 3.04Å; D251-W255 VanDerWaalsContact O-N 3.16Å
252G84.2Confident86.2Confident34 Ų3469.1 Ų69.135%0.35138%0.375SS..Hα-helixtrans-58.9-28.417900000113.9L250 S256L250-G252 PolarHBondContact O-N 3.13Å; L250-G252 VanDerWaalsContact O-N 3.13Å; G252-S256 WeakPolarHBondContact O-CA 3.44Å; G252-S256 VanDerWaalsContact O-CB 3.23Å; G252-S256 WeakPolarHBondContact O-CB 3.25Å; G252-S256 PolarHBondContact O-N 2.97Å
253K84.4Confident86Confident181 Ų18169.9 Ų69.979%0.78738%0.379SS*.Hα-helixtrans-70.4-45.1178.4-70.7-178.2-180176.50111.2D251 W255 S256D251-K253 PolarHBondContact O-N 3.26Å; D251-K253 WeakPolarHBondContact OD1-CB 3.4Å; D251-K253 PolarHBondContact OD1-N 3.37Å; K253-W255 VanDerWaalsContact C-N 3.31Å; K253-W255 PolarHBondContact O-N 3.46Å; K253-S256 PolarHBondContact O-OG 2.92Å
254L87Confident85.8Confident128 Ų12871.4 Ų71.467%0.6739%0.386SS*.Hα-helixtrans-62.6-39.9177.8-17666.4000111.7D251D251-L254 HydrophobicContact CB-CB 4.15Å; D251-L254 PolarHBondContact O-N 3.23Å
255W87Confident85.6Confident80 Ų8074.2 Ų74.230%0.30340%0.404SS..Hα-helixtrans-88.7-17.2-174.8-75.790.7000114.6L241 D251 K253 H257 T258 L259L241-W255 HydrophobicContact CD1-CE3 4.47Å; L241-W255 HydrophobicContact CD1-CH2 4.38Å; L241-W255 HydrophobicContact CD1-CZ3 3.91Å; D251-W255 PolarHBondContact O-N 3.04Å; D251-W255 VanDerWaalsContact O-N 3.16Å; K253-W255 VanDerWaalsContact C-N 3.31Å; K253-W255 PolarHBondContact O-N 3.46Å; W255-H257 PolarHBondContact O-N 2.99Å; W255-T258 HydrophobicContact CE3-CG2 4.34Å; W255-T258 HydrophobicContact CZ3-CG2 4.35Å; W255-T258 PolarHBondContact O-N 2.03Å; W255-T258 VanDerWaalsContact O-N 3.08Å; W255-L259 HydrophobicContact CB-CD1 3.87Å; W255-L259 HydrophobicContact CB-CG 4.19Å; W255-L259 WeakPolarHBondContact O-CB 3.33Å; W255-L259 WeakPolarHBondContact O-CG 3.32Å; W255-L259 PolarHBondContact O-N 3.31Å
256S83.8Confident85.8Confident66 Ų6673.6 Ų73.646%0.46240%0.4SS..Hα-helixtrans-49.7-46.8-175.160.10000114.7G252 K253 S260G252-S256 WeakPolarHBondContact O-CA 3.44Å; G252-S256 VanDerWaalsContact O-CB 3.23Å; G252-S256 WeakPolarHBondContact O-CB 3.25Å; G252-S256 PolarHBondContact O-N 2.97Å; K253-S256 PolarHBondContact O-OG 2.92Å; S256-S260 WeakPolarHBondContact O-CB 3.49Å; S256-S260 PolarHBondContact O-N 3.39Å; S256-S260 PolarHBondContact O-OG 3.34Å
257H83.8Confident86.1Confident118 Ų11871.9 Ų71.955%0.54639%0.392SS..Hα-helixtrans-69.4-41.4-179.3-173.6-93.1000112W255 S260 L261W255-H257 PolarHBondContact O-N 2.99Å; H257-S260 PolarHBondContact O-OG 2.93Å; H257-S260 VanDerWaalsContact O-OG 3.05Å; H257-L261 WeakPolarHBondContact CE1-CD1 3.22Å; H257-L261 PolarHBondContact O-N 3.46Å
258T86.2Confident86.3Confident74 Ų7469.4 Ų69.445%0.45438%0.376SS..Hα-helixtrans-69-41.1179.1-61.20000111.7W255 G262W255-T258 HydrophobicContact CE3-CG2 4.34Å; W255-T258 HydrophobicContact CZ3-CG2 4.35Å; W255-T258 PolarHBondContact O-N 2.03Å; W255-T258 VanDerWaalsContact O-N 3.08Å; T258-G262 WeakPolarHBondContact O-CA 3.39Å; T258-G262 PolarHBondContact O-N 3.23Å
259L87.3Confident86.6Confident8 Ų863.9 Ų63.94%0.04235%0.351CS..Hα-helixtrans-67.2-45.4178.3-68.8172.1000111.5L238 L241 D242 W255 L261 G262 D263L238-L259 HydrophobicContact CB-CD2 4.48Å; L238-L259 HydrophobicContact CD2-CD2 4.1Å; L241-L259 HydrophobicContact CB-CD2 3.86Å; D242-L259 HydrophobicContact CB-CD1 4.18Å; D242-L259 HydrophobicContact CB-CD2 4.5Å; W255-L259 HydrophobicContact CB-CD1 3.87Å; W255-L259 HydrophobicContact CB-CG 4.19Å; W255-L259 WeakPolarHBondContact O-CB 3.33Å; W255-L259 WeakPolarHBondContact O-CG 3.32Å; W255-L259 PolarHBondContact O-N 3.31Å; L259-L261 PolarHBondContact O-N 2.79Å; L259-G262 PolarHBondContact O-N 3.49Å; L259-D263 WeakPolarHBondContact O-CB 3.42Å; L259-D263 PolarHBondContact O-N 2.88Å
260S82.6Confident86.8Confident51 Ų5159.1 Ų59.136%0.35732%0.322SS..Hα-helixtrans-63.3-42.7-179.155.20000113.7S256 H257S256-S260 WeakPolarHBondContact O-CB 3.49Å; S256-S260 PolarHBondContact O-N 3.39Å; S256-S260 PolarHBondContact O-OG 3.34Å; H257-S260 PolarHBondContact O-OG 2.93Å; H257-S260 VanDerWaalsContact O-OG 3.05Å
261L82.2Confident87.1Confident39 Ų3956.9 Ų56.920%0.20431%0.31CS..Hα-helixtrans-73.3-41.8173.8-72.2176.7000112I6 H257 L259 D263 Q264 V265I6-L261 HydrophobicContact CD1-CD2 4.3Å; H257-L261 WeakPolarHBondContact CE1-CD1 3.22Å; H257-L261 PolarHBondContact O-N 3.46Å; L259-L261 PolarHBondContact O-N 2.79Å; L261-D263 PolarHBondContact O-N 3.25Å; L261-Q264 PolarHBondContact O-N 3.24Å; L261-V265 WeakPolarHBondContact O-CG2 3.39Å; L261-V265 PolarHBondContact O-N 3.41Å; L261-V265 VanDerWaalsContact O-N 3.1Å
262G87Confident87.4Confident17 Ų1754.3 Ų54.318%0.17530%0.297CS..Hα-helixtrans-59.8-45.4-179.700000112.2L238 T258 L259 Q264 V265 S266L238-G262 VanDerWaalsContact CD1-O 3.24Å; L238-G262 WeakPolarHBondContact CD1-O 3.39Å; T258-G262 WeakPolarHBondContact O-CA 3.39Å; T258-G262 PolarHBondContact O-N 3.23Å; L259-G262 PolarHBondContact O-N 3.49Å; G262-Q264 VanDerWaalsContact C-N 3.3Å; G262-Q264 PolarHBondContact O-N 2.73Å; G262-V265 PolarHBondContact O-N 2.93Å; G262-S266 WeakPolarHBondContact O-CB 3.36Å; G262-S266 PolarHBondContact O-N 3.11Å; G262-S266 PolarHBondContact O-OG 2.85Å
263D84.2Confident87.9Confident47 Ų4752.7 Ų52.725%0.25128%0.28SS..Hα-helixtrans-61.4-39.9-179-81.4-9.3000111.5L238 L259 L261 S266 V267L238-D263 VanDerWaalsContact CB-OD1 3.32Å; L238-D263 WeakPolarHBondContact CB-OD1 3.23Å; L259-D263 WeakPolarHBondContact O-CB 3.42Å; L259-D263 PolarHBondContact O-N 2.88Å; L261-D263 PolarHBondContact O-N 3.25Å; D263-S266 WeakPolarHBondContact CA-OG 2.83Å; D263-S266 PolarHBondContact O-OG 2.63Å; D263-V267 WeakPolarHBondContact O-CB 3.47Å; D263-V267 WeakPolarHBondContact O-CG1 3.44Å; D263-V267 PolarHBondContact O-N 2.9Å
264Q83Confident88.3Confident42 Ų4244.1 Ų44.120%0.19624%0.243CC..Hα-helixtrans-66.5-50.2176.5-69-175.627.300111.8L261 G262 S266 V267 Y268L261-Q264 PolarHBondContact O-N 3.24Å; G262-Q264 VanDerWaalsContact C-N 3.3Å; G262-Q264 PolarHBondContact O-N 2.73Å; Q264-S266 VanDerWaalsContact C-N 3.32Å; Q264-S266 PolarHBondContact O-N 2.85Å; Q264-V267 WeakPolarHBondContact O-CG1 3.42Å; Q264-V267 PolarHBondContact O-N 3.42Å; Q264-Y268 HydrophobicContact CB-CE2 4.18Å; Q264-Y268 WeakPolarHBondContact O-CD2 3.37Å; Q264-Y268 WeakPolarHBondContact O-CE2 3.47Å; Q264-Y268 PolarHBondContact O-N 3.43Å
265V85.9Confident88.6Confident98 Ų9839 Ų3959%0.59422%0.216SC*.Hα-helixtrans-64.1-42.1-178.8175.40000110.8L261 G262 Y268 L269L261-V265 WeakPolarHBondContact O-CG2 3.39Å; L261-V265 PolarHBondContact O-N 3.41Å; L261-V265 VanDerWaalsContact O-N 3.1Å; G262-V265 PolarHBondContact O-N 2.93Å; V265-Y268 PolarHBondContact O-N 3.42Å; V265-L269 PolarHBondContact O-N 3.48Å
266S91.6Very high88.7Confident4 Ų437.5 Ų37.53%0.02821%0.213CC..Hα-helixtrans-70.5-33.9-177.664.90000113.3F235 L238 G262 D263 Q264 Y268 L269 A270F235-S266 WeakPolarHBondContact CA-OG 3.49Å; L238-S266 WeakPolarHBondContact CD1-OG 3.27Å; G262-S266 WeakPolarHBondContact O-CB 3.36Å; G262-S266 PolarHBondContact O-N 3.11Å; G262-S266 PolarHBondContact O-OG 2.85Å; D263-S266 WeakPolarHBondContact CA-OG 2.83Å; D263-S266 PolarHBondContact O-OG 2.63Å; Q264-S266 VanDerWaalsContact C-N 3.32Å; Q264-S266 PolarHBondContact O-N 2.85Å; S266-Y268 VanDerWaalsContact C-N 3.35Å; S266-L269 PolarHBondContact O-N 3.37Å; S266-A270 WeakPolarHBondContact O-CB 3.36Å; S266-A270 PolarHBondContact O-N 3.16Å
267V90.7Very high88.9Confident32 Ų3234.4 Ų34.419%0.19419%0.192CC..Hα-helixtrans-67.6-36.4174.979.30000111.7F235 D263 Q264 A270 F271F235-V267 HydrophobicContact CD2-CB 3.98Å; F235-V267 HydrophobicContact CD2-CG2 4.37Å; F235-V267 HydrophobicContact CE2-CB 4.12Å; F235-V267 HydrophobicContact CE2-CG2 4.25Å; D263-V267 WeakPolarHBondContact O-CB 3.47Å; D263-V267 WeakPolarHBondContact O-CG1 3.44Å; D263-V267 PolarHBondContact O-N 2.9Å; Q264-V267 WeakPolarHBondContact O-CG1 3.42Å; Q264-V267 PolarHBondContact O-N 3.42Å; V267-A270 WeakPolarHBondContact O-CB 3.45Å; V267-A270 PolarHBondContact O-N 2.98Å; V267-F271 HydrophobicContact CG2-CE1 4.03Å; V267-F271 HydrophobicContact CG2-CE2 4.37Å; V267-F271 HydrophobicContact CG2-CZ 3.77Å; V267-F271 WeakPolarHBondContact O-CG 2.97Å; V267-F271 PolarHBondContact O-N 3.38Å; V267-F271 VanDerWaalsContact O-N 3.1Å
268Y90.6Very high88.8Confident14 Ų1428.8 Ų28.86%0.05517%0.166CC..Hα-helixtrans-70.5-37.2175.5-58.8-47.1000111.8I10 Y13 I14 I67 Q264 V265 S266 A270 F271 L272I10-Y268 HydrophobicContact CB-CE2 4.33Å; I10-Y268 HydrophobicContact CD1-CD2 3.57Å; I10-Y268 HydrophobicContact CD1-CE2 3.95Å; I10-Y268 HydrophobicContact CD1-CG 4.24Å; I10-Y268 HydrophobicContact CG1-CD2 4.02Å; I10-Y268 HydrophobicContact CG1-CE2 3.85Å; I10-Y268 HydrophobicContact CG2-CD1 3.93Å; I10-Y268 HydrophobicContact CG2-CD2 3.89Å; I10-Y268 HydrophobicContact CG2-CE1 3.61Å; I10-Y268 HydrophobicContact CG2-CE2 3.57Å; I10-Y268 HydrophobicContact CG2-CG 4.09Å; I10-Y268 VanDerWaalsContact CG2-CZ 3.44Å; Y13-Y268 PolarHBondContact OH-O 3.34Å; Y13-Y268 VanDerWaalsContact OH-O 3.14Å; I14-Y268 HydrophobicContact CD1-CD1 4.01Å; I14-Y268 HydrophobicContact CD1-CE1 3.73Å; I14-Y268 HydrophobicContact CG1-CD1 4.35Å; I67-Y268 HydrophobicContact CD1-CE1 4.38Å; I67-Y268 WeakPolarHBondContact CD1-OH 3.41Å; Q264-Y268 HydrophobicContact CB-CE2 4.18Å; Q264-Y268 WeakPolarHBondContact O-CD2 3.37Å; Q264-Y268 WeakPolarHBondContact O-CE2 3.47Å; Q264-Y268 PolarHBondContact O-N 3.43Å; V265-Y268 PolarHBondContact O-N 3.42Å; S266-Y268 VanDerWaalsContact C-N 3.35Å; Y268-A270 VanDerWaalsContact C-N 3.29Å; Y268-A270 PolarHBondContact O-N 3.04Å; Y268-F271 AromaticContact CD1-CD2 4Å; Y268-F271 HydrophobicContact CD1-CD2 4Å; Y268-F271 AromaticContact CD1-CE2 3.95Å; Y268-F271 HydrophobicContact CD1-CE2 3.95Å; Y268-F271 HydrophobicContact CE1-CE2 4.3Å; Y268-F271 PolarHBondContact O-N 3.14Å; Y268-L272 PolarHBondContact O-N 3.06Å
269L93.4Very high88.6Confident62 Ų6227.8 Ų27.833%0.32516%0.157SC..Hα-helixtrans-62.9-36.2170.6-17960.6000111.9C231 P234 V265 S266 L272C231-L269 WeakPolarHBondContact CB-O 3.39Å; P234-L269 HydrophobicContact CG-CD2 3.94Å; V265-L269 PolarHBondContact O-N 3.48Å; S266-L269 PolarHBondContact O-N 3.37Å; L269-L272 HydrophobicContact CD1-CD2 4.16Å; L269-L272 WeakPolarHBondContact O-CB 3.5Å; L269-L272 PolarHBondContact O-N 3.38Å
270A93.8Very high88Confident0 Ų029.2 Ų29.20%017%0.165CC..Hα-helixtrans-62.9-40.9174.700000112.1C231 W232 S266 V267 Y268 L272 N273C231-A270 VanDerWaalsContact O-CA 3.31Å; C231-A270 WeakPolarHBondContact O-CA 3.48Å; C231-A270 PolarHBondContact O-N 3.35Å; W232-A270 HydrophobicContact CD2-CB 3.59Å; W232-A270 HydrophobicContact CE3-CB 3.57Å; W232-A270 HydrophobicContact CG-CB 4.18Å; W232-A270 HydrophobicContact CH2-CB 4.07Å; W232-A270 HydrophobicContact CZ2-CB 4.09Å; W232-A270 HydrophobicContact CZ3-CB 3.82Å; S266-A270 WeakPolarHBondContact O-CB 3.36Å; S266-A270 PolarHBondContact O-N 3.16Å; V267-A270 WeakPolarHBondContact O-CB 3.45Å; V267-A270 PolarHBondContact O-N 2.98Å; Y268-A270 VanDerWaalsContact C-N 3.29Å; Y268-A270 PolarHBondContact O-N 3.04Å; A270-L272 PolarHBondContact O-N 3.39Å; A270-N273 WeakPolarHBondContact O-CB 3.43Å; A270-N273 PolarHBondContact O-N 2.84Å; A270-N273 VanDerWaalsContact O-N 3.14Å
271F93.7Very high87.4Confident4 Ų427.1 Ų27.12%0.01815%0.149CC..Hα-helixtrans-62.1-28.1175.6-60.6-25.9000113.1L17 L56 L60 I87 V267 Y268 N273 S274L17-F271 HydrophobicContact CD1-CB 4.02Å; L17-F271 HydrophobicContact CD2-CB 4.32Å; L56-F271 HydrophobicContact CD1-CE1 4.48Å; L56-F271 HydrophobicContact CD2-CD1 4.32Å; L60-F271 HydrophobicContact CD1-CB 4.13Å; L60-F271 HydrophobicContact CD1-CD2 4.29Å; L60-F271 HydrophobicContact CD1-CG 4.17Å; L60-F271 HydrophobicContact CD2-CD1 4.15Å; L60-F271 HydrophobicContact CD2-CD2 3.8Å; L60-F271 HydrophobicContact CD2-CE1 4.09Å; L60-F271 HydrophobicContact CD2-CE2 3.73Å; L60-F271 HydrophobicContact CD2-CG 4.02Å; L60-F271 HydrophobicContact CD2-CZ 3.89Å; I87-F271 HydrophobicContact CD1-CE1 4.12Å; I87-F271 HydrophobicContact CD1-CZ 3.89Å; I87-F271 HydrophobicContact CG1-CE1 4.12Å; I87-F271 HydrophobicContact CG1-CZ 4.37Å; I87-F271 HydrophobicContact CG2-CE1 3.9Å; V267-F271 HydrophobicContact CG2-CE1 4.03Å; V267-F271 HydrophobicContact CG2-CE2 4.37Å; V267-F271 HydrophobicContact CG2-CZ 3.77Å; V267-F271 WeakPolarHBondContact O-CG 2.97Å; V267-F271 PolarHBondContact O-N 3.38Å; V267-F271 VanDerWaalsContact O-N 3.1Å; Y268-F271 AromaticContact CD1-CD2 4Å; Y268-F271 HydrophobicContact CD1-CD2 4Å; Y268-F271 AromaticContact CD1-CE2 3.95Å; Y268-F271 HydrophobicContact CD1-CE2 3.95Å; Y268-F271 HydrophobicContact CE1-CE2 4.3Å; Y268-F271 PolarHBondContact O-N 3.14Å; F271-N273 PolarHBondContact O-N 2.86Å; F271-S274 PolarHBondContact O-N 3.05Å
272L93.8Very high86.8Confident42 Ų4226.8 Ų26.822%0.2215%0.149CC..Hα-helixtrans-59.5-28.4177.3-168.759.8000112.3L17 Y268 L269 A270 S274 L275 L276L17-L272 HydrophobicContact CD1-CB 4.46Å; L17-L272 HydrophobicContact CD1-CD1 4.32Å; Y268-L272 PolarHBondContact O-N 3.06Å; L269-L272 HydrophobicContact CD1-CD2 4.16Å; L269-L272 WeakPolarHBondContact O-CB 3.5Å; L269-L272 PolarHBondContact O-N 3.38Å; A270-L272 PolarHBondContact O-N 3.39Å; L272-S274 VanDerWaalsContact C-N 3.27Å; L272-S274 PolarHBondContact O-N 3.46Å; L272-L275 HydrophobicContact CD1-CD2 3.98Å; L272-L275 PolarHBondContact O-N 3.27Å; L272-L275 VanDerWaalsContact O-N 3.11Å; L272-L276 HydrophobicContact CD1-CD1 4.38Å; L272-L276 HydrophobicContact CD1-CG 4.24Å; L272-L276 HydrophobicContact CD2-CD1 3.89Å; L272-L276 HydrophobicContact CG-CD1 3.65Å; L272-L276 HydrophobicContact CG-CG 3.94Å; L272-L276 WeakPolarHBondContact O-CG 3.25Å; L272-L276 PolarHBondContact O-N 2.83Å
273N93.6Very high85.7Confident0 Ų032.6 Ų32.60%017%0.17CC..Hα-helixtrans-51.2-46.8175.9-17772.1000112F228 C231 A270 F271 L275 L276 N277F228-N273 WeakPolarHBondContact CA-OD1 3.47Å; C231-N273 HydrophobicContact CB-CB 3.7Å; A270-N273 WeakPolarHBondContact O-CB 3.43Å; A270-N273 PolarHBondContact O-N 2.84Å; A270-N273 VanDerWaalsContact O-N 3.14Å; F271-N273 PolarHBondContact O-N 2.86Å; N273-L275 VanDerWaalsContact C-N 3.25Å; N273-L275 PolarHBondContact O-N 2.86Å; N273-L276 PolarHBondContact O-N 3.48Å; N273-N277 PolarHBondContact ND2-ND2 2.84Å; N273-N277 VanDerWaalsContact O-CG 3.24Å; N273-N277 PolarHBondContact O-N 3.33Å; N273-N277 PolarHBondContact O-ND2 3.21Å
274S93.6Very high84.3Confident0 Ų033.2 Ų33.20%018%0.178CC..Hα-helixtrans-69.4-21.6-176.1-62.90000113.7N25 D53 L56 F271 L272N25-S274 PolarHBondContact ND2-O 3.25Å; D53-S274 VanDerWaalsContact OD1-CB 3.24Å; D53-S274 WeakPolarHBondContact OD1-CB 3.42Å; D53-S274 PolarHBondContact OD1-OG 3.44Å; L56-S274 WeakPolarHBondContact CD2-OG 3.24Å; F271-S274 PolarHBondContact O-N 3.05Å; L272-S274 VanDerWaalsContact C-N 3.27Å; L272-S274 PolarHBondContact O-N 3.46Å
275L92.9Very high83.3Confident20 Ų2031.6 Ų31.611%0.10517%0.172CC..Hα-helixtrans-81.1-42.5170.8174.565.2000111.7L17 L20 L24 L272 N273L17-L275 HydrophobicContact CG-CB 4.25Å; L17-L275 HydrophobicContact CG-CD2 4.43Å; L20-L275 HydrophobicContact CB-CD1 3.55Å; L24-L275 HydrophobicContact CD1-CD1 3.78Å; L272-L275 HydrophobicContact CD1-CD2 3.98Å; L272-L275 PolarHBondContact O-N 3.27Å; L272-L275 VanDerWaalsContact O-N 3.11Å; N273-L275 VanDerWaalsContact C-N 3.25Å; N273-L275 PolarHBondContact O-N 2.86Å
276L89.8Confident81.9Confident49 Ų4931.2 Ų31.226%0.25716%0.164SC..Hα-helixtrans-78.2-25-170.8-67.8-177.8000113.2L227 L272 N273 L279 L280L227-L276 HydrophobicContact CD1-CB 3.99Å; L227-L276 HydrophobicContact CD1-CD1 3.52Å; L227-L276 HydrophobicContact CD1-CG 4.41Å; L227-L276 HydrophobicContact CD2-CB 3.48Å; L227-L276 VanDerWaalsContact CD2-CB 3.48Å; L227-L276 HydrophobicContact CG-CB 4.33Å; L272-L276 HydrophobicContact CD1-CD1 4.38Å; L272-L276 HydrophobicContact CD1-CG 4.24Å; L272-L276 HydrophobicContact CD2-CD1 3.89Å; L272-L276 HydrophobicContact CG-CD1 3.65Å; L272-L276 HydrophobicContact CG-CG 3.94Å; L272-L276 WeakPolarHBondContact O-CG 3.25Å; L272-L276 PolarHBondContact O-N 2.83Å; N273-L276 PolarHBondContact O-N 3.48Å; L276-L279 HydrophobicContact CD2-CD1 3.85Å; L276-L279 WeakPolarHBondContact O-CB 3.31Å; L276-L279 PolarHBondContact O-N 2.92Å; L276-L279 VanDerWaalsContact O-N 3.13Å; L276-L280 PolarHBondContact O-N 2.89Å
277N86.5Confident80.5Confident1 Ų135.9 Ų35.91%0.00518%0.181CC..Hα-helixtrans-51.4-58177.6-81.6-19000113.1D53 N273 L279 L280 Y281D53-N277 PolarHBondContact OD2-ND2 3.08Å; N273-N277 PolarHBondContact ND2-ND2 2.84Å; N273-N277 VanDerWaalsContact O-CG 3.24Å; N273-N277 PolarHBondContact O-N 3.33Å; N273-N277 PolarHBondContact O-ND2 3.21Å; N277-L279 VanDerWaalsContact C-N 3.3Å; N277-L279 PolarHBondContact O-N 3.33Å; N277-L280 WeakPolarHBondContact O-CB 3.34Å; N277-L280 PolarHBondContact O-N 3.1Å; N277-Y281 HydrophobicContact CB-CE2 3.92Å; N277-Y281 WeakPolarHBondContact O-CD2 3.48Å; N277-Y281 WeakPolarHBondContact O-CE2 3.38Å; N277-Y281 PolarHBondContact O-N 2.83Å
278P83.1Confident79.3Confident1 Ų134.8 Ų34.81%0.00617%0.174CC..Hα-helixtrans-54.6-39.2174.1-30.435.7000115.1L24 N25 V28 L280 Y281 V282L24-P278 HydrophobicContact CB-CB 3.8Å; L24-P278 HydrophobicContact CB-CG 4.05Å; N25-P278 HydrophobicContact CB-CG 4.44Å; N25-P278 VanDerWaalsContact CG-CG 3.47Å; N25-P278 WeakPolarHBondContact OD1-CG 3.36Å; V28-P278 HydrophobicContact CG2-CB 4.1Å; P278-L280 VanDerWaalsContact C-N 3.32Å; P278-L280 PolarHBondContact O-N 3.24Å; P278-Y281 PolarHBondContact O-N 2.96Å; P278-Y281 VanDerWaalsContact O-N 3.1Å; P278-V282 VanDerWaalsContact O-CG2 3.23Å; P278-V282 WeakPolarHBondContact O-CG2 3.29Å; P278-V282 PolarHBondContact O-N 3.43Å
279L80.3Confident78.4Confident52 Ų5239.9 Ų39.927%0.27219%0.193SC..Hα-helixtrans-63-43.1-179.3-62175.6000110.2L24 L276 N277 Y281 V282 F283L24-L279 HydrophobicContact CD1-CD2 3.71Å; L24-L279 HydrophobicContact CD1-CG 4.03Å; L24-L279 HydrophobicContact CD2-CD2 4.18Å; L276-L279 HydrophobicContact CD2-CD1 3.85Å; L276-L279 WeakPolarHBondContact O-CB 3.31Å; L276-L279 PolarHBondContact O-N 2.92Å; L276-L279 VanDerWaalsContact O-N 3.13Å; N277-L279 VanDerWaalsContact C-N 3.3Å; N277-L279 PolarHBondContact O-N 3.33Å; L279-Y281 VanDerWaalsContact C-N 3.29Å; L279-Y281 PolarHBondContact O-N 3.27Å; L279-V282 PolarHBondContact O-N 3.5Å; L279-F283 HydrophobicContact CB-CD2 4.03Å; L279-F283 HydrophobicContact CB-CE2 4.18Å; L279-F283 HydrophobicContact CD2-CD2 4.48Å; L279-F283 HydrophobicContact CD2-CE2 3.82Å; L279-F283 VanDerWaalsContact O-CB 3.31Å; L279-F283 WeakPolarHBondContact O-CB 3.32Å; L279-F283 WeakPolarHBondContact O-CD2 3.29Å; L279-F283 PolarHBondContact O-N 3.39Å
280L74.8Confident77.4Confident39 Ų3944.5 Ų44.520%0.20421%0.206CC..Hα-helixtrans-58.9-41.1172.8-69.2-178.2000111.8L220 V224 L227 L276 N277 P278 S284L220-L280 HydrophobicContact CD1-CB 4.44Å; V224-L280 HydrophobicContact CB-CD1 4.3Å; V224-L280 HydrophobicContact CG2-CB 4.2Å; V224-L280 HydrophobicContact CG2-CD1 3.8Å; L227-L280 HydrophobicContact CB-CD1 3.9Å; L227-L280 HydrophobicContact CD2-CD1 3.36Å; L227-L280 HydrophobicContact CD2-CG 4.13Å; L227-L280 HydrophobicContact CG-CD1 4.25Å; L276-L280 PolarHBondContact O-N 2.89Å; N277-L280 WeakPolarHBondContact O-CB 3.34Å; N277-L280 PolarHBondContact O-N 3.1Å; P278-L280 VanDerWaalsContact C-N 3.32Å; P278-L280 PolarHBondContact O-N 3.24Å; L280-S284 WeakPolarHBondContact O-CA 3.36Å; L280-S284 WeakPolarHBondContact O-CB 3.45Å; L280-S284 PolarHBondContact O-N 3.26Å; L280-S284 PolarHBondContact O-OG 3.08Å
281Y71.4Confident76.3Confident6 Ų645.3 Ų45.32%0.02421%0.21CC..Hα-helixtrans-68.1-42.3179.3-49.4-36.9000113.1L46 L49 L220 V224 N277 P278 L279 G285L46-Y281 HydrophobicContact CD2-CD1 3.53Å; L46-Y281 HydrophobicContact CD2-CD2 4.06Å; L46-Y281 HydrophobicContact CD2-CE1 3.26Å; L46-Y281 HydrophobicContact CD2-CE2 3.83Å; L46-Y281 HydrophobicContact CD2-CG 3.97Å; L46-Y281 VanDerWaalsContact CD2-CZ 3.47Å; L49-Y281 WeakPolarHBondContact CD2-OH 3.34Å; L220-Y281 HydrophobicContact CD1-CD1 4.27Å; V224-Y281 HydrophobicContact CG1-CE1 4.31Å; V224-Y281 HydrophobicContact CG2-CD1 4.34Å; V224-Y281 HydrophobicContact CG2-CE1 3.6Å; N277-Y281 HydrophobicContact CB-CE2 3.92Å; N277-Y281 WeakPolarHBondContact O-CD2 3.48Å; N277-Y281 WeakPolarHBondContact O-CE2 3.38Å; N277-Y281 PolarHBondContact O-N 2.83Å; P278-Y281 PolarHBondContact O-N 2.96Å; P278-Y281 VanDerWaalsContact O-N 3.1Å; L279-Y281 VanDerWaalsContact C-N 3.29Å; L279-Y281 PolarHBondContact O-N 3.27Å; Y281-G285 VanDerWaalsContact O-CA 3.29Å; Y281-G285 WeakPolarHBondContact O-CA 3.32Å; Y281-G285 PolarHBondContact O-N 2.93Å
282V68.4Low75.5Confident33 Ų3346.5 Ų46.520%0.222%0.216CC..Hα-helixtrans-73-40.1-178.5178.50000111.6P278 L279 F288 R289P278-V282 VanDerWaalsContact O-CG2 3.23Å; P278-V282 WeakPolarHBondContact O-CG2 3.29Å; P278-V282 PolarHBondContact O-N 3.43Å; L279-V282 PolarHBondContact O-N 3.5Å; V282-F288 HydrophobicContact CB-CD1 4.29Å; V282-F288 HydrophobicContact CB-CE1 4.33Å; V282-F288 HydrophobicContact CG1-CE1 4.5Å; V282-F288 HydrophobicContact CG2-CD1 3.78Å; V282-F288 HydrophobicContact CG2-CE1 3.41Å; V282-F288 VanDerWaalsContact CG2-CE1 3.41Å; V282-F288 HydrophobicContact CG2-CZ 4.27Å; V282-R289 PolarHBondContact O-NE 2.93Å
283F64Low74.9Confident139 Ų13948.6 Ų48.661%0.6123%0.227SC*.Hα-helixtrans-82.5-38.3-177.5-69.2-62.5000113.1L279L279-F283 HydrophobicContact CB-CD2 4.03Å; L279-F283 HydrophobicContact CB-CE2 4.18Å; L279-F283 HydrophobicContact CD2-CD2 4.48Å; L279-F283 HydrophobicContact CD2-CE2 3.82Å; L279-F283 VanDerWaalsContact O-CB 3.31Å; L279-F283 WeakPolarHBondContact O-CB 3.32Å; L279-F283 WeakPolarHBondContact O-CD2 3.29Å; L279-F283 PolarHBondContact O-N 3.39Å
284S56.1Low74.2Confident60 Ų6049.5 Ų49.542%0.4224%0.235SC..Hα-helixtrans-99.2-14.4-175.1-50.60000113.6L280 Q286L280-S284 WeakPolarHBondContact O-CA 3.36Å; L280-S284 WeakPolarHBondContact O-CB 3.45Å; L280-S284 PolarHBondContact O-N 3.26Å; L280-S284 PolarHBondContact O-OG 3.08Å; S284-Q286 PolarHBondContact O-N 3.26Å
285G60.7Low73.6Confident7 Ų751.2 Ų51.27%0.07225%0.245CC..  trans-9298.5-178.800000114.3Y281 Y287 F288 R289Y281-G285 VanDerWaalsContact O-CA 3.29Å; Y281-G285 WeakPolarHBondContact O-CA 3.32Å; Y281-G285 PolarHBondContact O-N 2.93Å; G285-Y287 PolarHBondContact O-N 2.7Å; G285-Y287 VanDerWaalsContact O-N 3.11Å; G285-F288 PolarHBondContact O-N 3.28Å; G285-R289 PolarHBondContact O-N 2.9Å
286Q58Low73.1Confident90 Ų9053.4 Ų53.442%0.42126%0.262SS..Hα-helixtrans-55.8-26.7164.2-67.3-165.9-16.500111.9S284 R290S284-Q286 PolarHBondContact O-N 3.26Å; Q286-R290 VanDerWaalsContact O-CG 3.3Å; Q286-R290 WeakPolarHBondContact O-CG 3.39Å; Q286-R290 PolarHBondContact O-N 2.9Å; Q286-R290 VanDerWaalsContact O-N 3.15Å
287Y61.7Low72.8Confident103 Ų10357.9 Ų57.940%0.40428%0.275SS..Hα-helixtrans-70.9-47.7179.4-174-87.7000113.1T40 E43 G285 R290 K291T40-Y287 VanDerWaalsContact CG2-OH 3.24Å; T40-Y287 WeakPolarHBondContact CG2-OH 3.37Å; E43-Y287 HydrophobicContact CG-CD1 4.32Å; E43-Y287 HydrophobicContact CG-CE1 3.44Å; E43-Y287 VanDerWaalsContact CG-CE1 3.44Å; E43-Y287 VanDerWaalsContact OE1-CE1 3.23Å; E43-Y287 WeakPolarHBondContact OE1-CE1 3.34Å; E43-Y287 PolarHBondContact OE1-OH 3.01Å; E43-Y287 PolarHBondContact OE2-OH 2.74Å; G285-Y287 PolarHBondContact O-N 2.7Å; G285-Y287 VanDerWaalsContact O-N 3.11Å; Y287-R290 PolarHBondContact O-N 3Å; Y287-K291 HydrophobicContact CE1-CD 3.91Å; Y287-K291 HydrophobicContact CE1-CG 4.38Å; Y287-K291 PolarHBondContact O-N 2.9Å; Y287-K291 WeakPolarHBondContact OH-CE 3.25Å; Y287-K291 PolarHBondContact OH-NZ 3.05Å
288F64.8Low72.4Confident8 Ų863.2 Ų63.24%0.03530%0.295CS..Hα-helixtrans-63.4-44.3177.7-174.5-104.3000110.7F27 V28 V31 F32 V282 G285 R290 K291 L292F27-F288 HydrophobicContact CD1-CE1 4.44Å; F27-F288 HydrophobicContact CD1-CZ 4.09Å; F27-F288 AromaticContact CE1-CE1 3.84Å; F27-F288 HydrophobicContact CE1-CE1 3.84Å; F27-F288 AromaticContact CE1-CZ 3.78Å; F27-F288 HydrophobicContact CE1-CZ 3.78Å; V28-F288 HydrophobicContact CG1-CE2 4.47Å; V28-F288 HydrophobicContact CG2-CE2 4.28Å; V28-F288 HydrophobicContact CG2-CZ 4.08Å; V31-F288 HydrophobicContact CB-CE2 4.15Å; V31-F288 HydrophobicContact CB-CZ 4.32Å; V31-F288 HydrophobicContact CG1-CE2 3.84Å; V31-F288 HydrophobicContact CG1-CZ 4.24Å; V31-F288 HydrophobicContact CG2-CZ 4.21Å; F32-F288 HydrophobicContact CE1-CD2 4.25Å; F32-F288 HydrophobicContact CZ-CD2 4.01Å; F32-F288 HydrophobicContact CZ-CE2 4.25Å; V282-F288 HydrophobicContact CB-CD1 4.29Å; V282-F288 HydrophobicContact CB-CE1 4.33Å; V282-F288 HydrophobicContact CG1-CE1 4.5Å; V282-F288 HydrophobicContact CG2-CD1 3.78Å; V282-F288 HydrophobicContact CG2-CE1 3.41Å; V282-F288 VanDerWaalsContact CG2-CE1 3.41Å; V282-F288 HydrophobicContact CG2-CZ 4.27Å; G285-F288 PolarHBondContact O-N 3.28Å; F288-R290 PolarHBondContact O-N 3.35Å; F288-K291 PolarHBondContact O-N 3.38Å; F288-K291 VanDerWaalsContact O-N 3.12Å; F288-L292 HydrophobicContact CD1-CD1 3.66Å; F288-L292 HydrophobicContact CD1-CG 3.89Å; F288-L292 HydrophobicContact CE1-CD1 3.43Å; F288-L292 VanDerWaalsContact CE1-CD1 3.43Å; F288-L292 HydrophobicContact CE1-CD2 3.88Å; F288-L292 HydrophobicContact CE1-CG 3.7Å; F288-L292 HydrophobicContact CZ-CD1 4.29Å; F288-L292 HydrophobicContact CZ-CD2 3.88Å; F288-L292 HydrophobicContact CZ-CG 4.14Å; F288-L292 WeakPolarHBondContact O-CG 3.43Å; F288-L292 PolarHBondContact O-N 2.84Å
289R71.9Confident72.1Confident122 Ų12265.2 Ų65.246%0.4631%0.312SS..Hα-helixtrans-58.3-44.8176.2-66.6-176.1-179.6-156.21113.1V282 G285 K291 L292 D293V282-R289 PolarHBondContact O-NE 2.93Å; G285-R289 PolarHBondContact O-N 2.9Å; R289-K291 VanDerWaalsContact C-N 3.28Å; R289-K291 PolarHBondContact O-N 2.92Å; R289-L292 WeakPolarHBondContact O-CB 3.34Å; R289-L292 PolarHBondContact O-N 3.49Å; R289-D293 PolarHBondContact O-N 3.4Å
290R72.2Confident71.9Confident159 Ų15971.9 Ų71.960%0.633%0.333SS*.Hα-helixtrans-60.7-37.1176-78.6176.5177.8-1731.1112.6Q286 Y287 F288 A294Q286-R290 VanDerWaalsContact O-CG 3.3Å; Q286-R290 WeakPolarHBondContact O-CG 3.39Å; Q286-R290 PolarHBondContact O-N 2.9Å; Q286-R290 VanDerWaalsContact O-N 3.15Å; Y287-R290 PolarHBondContact O-N 3Å; F288-R290 PolarHBondContact O-N 3.35Å; R290-A294 PolarHBondContact O-N 2.92Å; R290-A294 VanDerWaalsContact O-N 3.08Å
291K71.9Confident71.8Confident16 Ų1676.9 Ų76.97%0.0736%0.356CS..Hα-helixtrans-72.2-42.3175.9-80.9-159.8169-162.50113H35 E43 Y287 F288 R289 D293 A294 V295H35-K291 PolarHBondContact CE1-NZ 3.49Å; H35-K291 PolarHBondContact ND1-NZ 3.18Å; H35-K291 WeakPolarHBondContact NE2-CE 3.09Å; E43-K291 WeakPolarHBondContact OE1-CD 3.3Å; E43-K291 WeakPolarHBondContact OE1-CE 3.19Å; E43-K291 IonicContact OE1-NZ 3.93Å; E43-K291 PolarHBondContact OE1-NZ 2.84Å; E43-K291 IonicContact OE2-NZ 2.92Å; E43-K291 PolarHBondContact OE2-NZ 3.1Å; Y287-K291 HydrophobicContact CE1-CD 3.91Å; Y287-K291 HydrophobicContact CE1-CG 4.38Å; Y287-K291 PolarHBondContact O-N 2.9Å; Y287-K291 WeakPolarHBondContact OH-CE 3.25Å; Y287-K291 PolarHBondContact OH-NZ 3.05Å; F288-K291 PolarHBondContact O-N 3.38Å; F288-K291 VanDerWaalsContact O-N 3.12Å; R289-K291 VanDerWaalsContact C-N 3.28Å; R289-K291 PolarHBondContact O-N 2.92Å; K291-D293 VanDerWaalsContact C-N 3.27Å; K291-D293 PolarHBondContact O-N 3.08Å; K291-A294 WeakPolarHBondContact O-CB 3.39Å; K291-A294 PolarHBondContact O-N 3.19Å; K291-A294 VanDerWaalsContact O-N 3.12Å; K291-V295 WeakPolarHBondContact O-CG2 3.28Å; K291-V295 PolarHBondContact O-N 3.49Å
292L76.8Confident71.7Confident29 Ų2982.4 Ų82.415%0.15238%0.381CS..Hα-helixtrans-53.3-48.8170.8-71.9-177.8000110.9F27 V31 F288 R289 A294 V295 C296F27-L292 HydrophobicContact CE1-CD1 4.21Å; F27-L292 HydrophobicContact CE1-CD2 3.74Å; F27-L292 HydrophobicContact CE2-CD2 4.34Å; F27-L292 HydrophobicContact CZ-CD1 4.23Å; F27-L292 HydrophobicContact CZ-CD2 3.38Å; F27-L292 HydrophobicContact CZ-CG 4.45Å; V31-L292 HydrophobicContact CB-CD2 4.17Å; V31-L292 HydrophobicContact CG1-CD2 3.74Å; V31-L292 HydrophobicContact CG2-CD2 3.33Å; F288-L292 HydrophobicContact CD1-CD1 3.66Å; F288-L292 HydrophobicContact CD1-CG 3.89Å; F288-L292 HydrophobicContact CE1-CD1 3.43Å; F288-L292 VanDerWaalsContact CE1-CD1 3.43Å; F288-L292 HydrophobicContact CE1-CD2 3.88Å; F288-L292 HydrophobicContact CE1-CG 3.7Å; F288-L292 HydrophobicContact CZ-CD1 4.29Å; F288-L292 HydrophobicContact CZ-CD2 3.88Å; F288-L292 HydrophobicContact CZ-CG 4.14Å; F288-L292 WeakPolarHBondContact O-CG 3.43Å; F288-L292 PolarHBondContact O-N 2.84Å; R289-L292 WeakPolarHBondContact O-CB 3.34Å; R289-L292 PolarHBondContact O-N 3.49Å; L292-A294 VanDerWaalsContact C-N 3.29Å; L292-A294 PolarHBondContact O-N 3.32Å; L292-V295 PolarHBondContact O-N 3.31Å; L292-C296 VanDerWaalsContact O-CB 3.29Å; L292-C296 WeakPolarHBondContact O-CB 3.29Å; L292-C296 PolarHBondContact O-N 2.95Å; L292-C296 PolarHBondContact O-SG 2.87Å
293D79.6Confident71.7Confident86 Ų8689.9 Ų89.946%0.4641%0.406SS..Hα-helixtrans-60.5-40178-73.4-17.8000112.2R289 K291 R297R289-D293 PolarHBondContact O-N 3.4Å; K291-D293 VanDerWaalsContact C-N 3.27Å; K291-D293 PolarHBondContact O-N 3.08Å; D293-R297 VanDerWaalsContact O-CB 3.28Å; D293-R297 WeakPolarHBondContact O-CB 3.15Å; D293-R297 VanDerWaalsContact O-CG 3.26Å; D293-R297 WeakPolarHBondContact O-CG 3.39Å; D293-R297 PolarHBondContact O-N 2.95Å
294A80Confident71.7Confident20 Ų2092.2 Ų92.217%0.16541%0.411CS..Hα-helixtrans-64.6-45.2176.600000112.1R290 K291 L292 R298R290-A294 PolarHBondContact O-N 2.92Å; R290-A294 VanDerWaalsContact O-N 3.08Å; K291-A294 WeakPolarHBondContact O-CB 3.39Å; K291-A294 PolarHBondContact O-N 3.19Å; K291-A294 VanDerWaalsContact O-N 3.12Å; L292-A294 VanDerWaalsContact C-N 3.29Å; L292-A294 PolarHBondContact O-N 3.32Å; A294-R298 WeakPolarHBondContact O-CB 3.41Å; A294-R298 VanDerWaalsContact O-CG 3.28Å; A294-R298 WeakPolarHBondContact O-CG 3.48Å; A294-R298 PolarHBondContact O-N 3.39Å
295V80.3Confident71.8Confident35 Ų3591.2 Ų91.221%0.21241%0.41CS..Hα-helixtrans-64.1-47.2177173.80000110.6A34 K291 L292 R297 R298 A299A34-V295 HydrophobicContact CB-CG1 4.35Å; K291-V295 WeakPolarHBondContact O-CG2 3.28Å; K291-V295 PolarHBondContact O-N 3.49Å; L292-V295 PolarHBondContact O-N 3.31Å; V295-R297 PolarHBondContact O-N 3.06Å; V295-R298 PolarHBondContact O-N 3.43Å; V295-A299 WeakPolarHBondContact O-CB 3.44Å; V295-A299 PolarHBondContact O-N 3.48Å
296C82.2Confident71.9Confident66 Ų6694 Ų9445%0.44643%0.428SS..Hα-helixtrans-61.2-44.8177.8-74.10000112.5L292 R298 A299 R300L292-C296 VanDerWaalsContact O-CB 3.29Å; L292-C296 WeakPolarHBondContact O-CB 3.29Å; L292-C296 PolarHBondContact O-N 2.95Å; L292-C296 PolarHBondContact O-SG 2.87Å; C296-R298 PolarHBondContact O-N 3.47Å; C296-A299 PolarHBondContact O-N 3.34Å; C296-R300 WeakPolarHBondContact O-CG 3.37Å; C296-R300 PolarHBondContact O-N 3.4Å
297R83.4Confident72.3Confident144 Ų14495 Ų9554%0.54344%0.436SS..Hα-helixtrans-61.3-43175.6-78.3-172.5-65.7-101.8-3.6111.7D293 V295 R300 H301D293-R297 VanDerWaalsContact O-CB 3.28Å; D293-R297 WeakPolarHBondContact O-CB 3.15Å; D293-R297 VanDerWaalsContact O-CG 3.26Å; D293-R297 WeakPolarHBondContact O-CG 3.39Å; D293-R297 PolarHBondContact O-N 2.95Å; V295-R297 PolarHBondContact O-N 3.06Å; R297-R300 PolarHBondContact O-N 3.21Å; R297-H301 PolarHBondContact O-CD2 2.96Å; R297-H301 PolarHBondContact O-N 2.87Å
298R78.6Confident72.4Confident113 Ų11395.9 Ų95.943%0.42645%0.446SS..Hα-helixtrans-65.3-44.3177.1-71.8178.4-162.8-173.89.4111.7D37 A294 V295 C296 R300 H301 Q302D37-R298 IonicContact OD2-CZ 2.9Å; D37-R298 IonicContact OD2-NH1 2.87Å; D37-R298 IonicContact OD2-NH2 2.7Å; D37-R298 PolarHBondContact OD2-NH2 2.97Å; A294-R298 WeakPolarHBondContact O-CB 3.41Å; A294-R298 VanDerWaalsContact O-CG 3.28Å; A294-R298 WeakPolarHBondContact O-CG 3.48Å; A294-R298 PolarHBondContact O-N 3.39Å; V295-R298 PolarHBondContact O-N 3.43Å; C296-R298 PolarHBondContact O-N 3.47Å; R298-R300 VanDerWaalsContact C-N 3.31Å; R298-R300 PolarHBondContact O-N 3.22Å; R298-H301 PolarHBondContact O-N 2.85Å; R298-H301 VanDerWaalsContact O-N 3.13Å; R298-Q302 PolarHBondContact O-N 3.46Å
299A77.1Confident72.4Confident43 Ų4398.8 Ų98.836%0.35546%0.464SS..Hα-helixtrans-60.3-40.4176.200000111.9V295 C296 Q302 R303V295-A299 WeakPolarHBondContact O-CB 3.44Å; V295-A299 PolarHBondContact O-N 3.48Å; C296-A299 PolarHBondContact O-N 3.34Å; A299-Q302 PolarHBondContact O-N 2.93Å; A299-R303 WeakPolarHBondContact O-CG 3.16Å; A299-R303 PolarHBondContact O-N 2.83Å
300R76.6Confident72Confident192 Ų19297.4 Ų97.473%0.72547%0.469SS*.Hα-helixtrans-63.2-43.4172.3-72.9178.9-175.1-173.12.1112.2C296 R297 R298 R303 R304C296-R300 WeakPolarHBondContact O-CG 3.37Å; C296-R300 PolarHBondContact O-N 3.4Å; R297-R300 PolarHBondContact O-N 3.21Å; R298-R300 VanDerWaalsContact C-N 3.31Å; R298-R300 PolarHBondContact O-N 3.22Å; R300-R303 PolarHBondContact O-N 2.9Å; R300-R304 WeakPolarHBondContact O-CB 3.22Å; R300-R304 PolarHBondContact O-N 3.35Å
301H72.4Confident71.5Confident144 Ų14497.2 Ų97.267%0.66747%0.47SS*.Hα-helixtrans-64.3-42176.5-94.3-76.2000112.9R297 R298 R304 G305R297-H301 PolarHBondContact O-CD2 2.96Å; R297-H301 PolarHBondContact O-N 2.87Å; R298-H301 PolarHBondContact O-N 2.85Å; R298-H301 VanDerWaalsContact O-N 3.13Å; H301-R304 PolarHBondContact O-N 2.93Å; H301-G305 PolarHBondContact O-N 3.2Å
302Q68.1Low71.2Confident121 Ų121102 Ų10257%0.56549%0.493SS*.Hα-helixtrans-63.7-46.3175.4-86.2-179.2-3100111.7R298 A299 R304 G305 S306R298-Q302 PolarHBondContact O-N 3.46Å; A299-Q302 PolarHBondContact O-N 2.93Å; Q302-R304 VanDerWaalsContact C-N 3.33Å; Q302-R304 PolarHBondContact O-N 3.35Å; Q302-G305 PolarHBondContact O-N 3.44Å; Q302-S306 PolarHBondContact O-N 3.4Å; Q302-S306 PolarHBondContact O-OG 3.29Å
303R68.8Low70.4Confident190 Ų190110 Ų11072%0.71752%0.521SS*.Hα-helixtrans-56.3-47.4174.2-76.6-174.3-176.5-172.70.7111.7A299 R300 G305 S306 D307A299-R303 WeakPolarHBondContact O-CG 3.16Å; A299-R303 PolarHBondContact O-N 2.83Å; R300-R303 PolarHBondContact O-N 2.9Å; R303-G305 VanDerWaalsContact C-N 3.32Å; R303-G305 PolarHBondContact O-N 3.21Å; R303-S306 WeakPolarHBondContact O-CB 3.26Å; R303-S306 PolarHBondContact O-N 3.22Å; R303-S306 VanDerWaalsContact O-N 3.17Å; R303-D307 VanDerWaalsContact O-CG 3.23Å; R303-D307 PolarHBondContact O-N 3.15Å
304R64.6Low69.9Low189 Ų189109 Ų10971%0.71352%0.52SS*.Hα-helixtrans-64.3-33.5179.8-154.4173.1-178.6-178.3-0.1113.2R300 H301 Q302 M308R300-R304 WeakPolarHBondContact O-CB 3.22Å; R300-R304 PolarHBondContact O-N 3.35Å; H301-R304 PolarHBondContact O-N 2.93Å; Q302-R304 VanDerWaalsContact C-N 3.33Å; Q302-R304 PolarHBondContact O-N 3.35Å; R304-M308 WeakPolarHBondContact O-CB 3.13Å; R304-M308 PolarHBondContact O-N 3.29Å; R304-M308 VanDerWaalsContact O-N 3.13Å
305G59.3Low69.2Low38 Ų38111.7 Ų111.739%0.39253%0.532SS..Hα-helixtrans-71.8-38172.700000113.4H301 Q302 R303 M308 T309H301-G305 PolarHBondContact O-N 3.2Å; Q302-G305 PolarHBondContact O-N 3.44Å; R303-G305 VanDerWaalsContact C-N 3.32Å; R303-G305 PolarHBondContact O-N 3.21Å; G305-M308 PolarHBondContact O-N 3.01Å; G305-T309 WeakPolarHBondContact O-CG2 3.14Å; G305-T309 PolarHBondContact O-N 3.15Å; G305-T309 PolarHBondContact O-OG1 2.73Å
306S62.2Low68.6Low67 Ų67114.4 Ų114.447%0.46955%0.548SS..Hα-helixtrans-65.8-39.7173.6-56.20000112.3Q302 R303 T309 T310Q302-S306 PolarHBondContact O-N 3.4Å; Q302-S306 PolarHBondContact O-OG 3.29Å; R303-S306 WeakPolarHBondContact O-CB 3.26Å; R303-S306 PolarHBondContact O-N 3.22Å; R303-S306 VanDerWaalsContact O-N 3.17Å; S306-T309 WeakPolarHBondContact CA-OG1 3.38Å; S306-T309 PolarHBondContact O-OG1 3.18Å; S306-T310 WeakPolarHBondContact O-CB 3.21Å; S306-T310 PolarHBondContact O-N 2.9Å; S306-T310 PolarHBondContact O-OG1 2.99Å
307D65.9Low67.8Low109 Ų109114.1 Ų114.158%0.58355%0.547SS*.Hα-helixtrans-67.3-42.4176.2-64-25.2000111R303 T310 Y311R303-D307 VanDerWaalsContact O-CG 3.23Å; R303-D307 PolarHBondContact O-N 3.15Å; D307-T310 PolarHBondContact O-N 3.18Å; D307-Y311 WeakPolarHBondContact O-CB 3.43Å; D307-Y311 PolarHBondContact O-N 3.39Å
308M64.2Low67Low122 Ų122111.3 Ų111.360%0.60155%0.546SS*.Hα-helixtrans-62.1-44.1176.5-16894.380.400112.2R304 G305 Y311 Q312R304-M308 WeakPolarHBondContact O-CB 3.13Å; R304-M308 PolarHBondContact O-N 3.29Å; R304-M308 VanDerWaalsContact O-N 3.13Å; G305-M308 PolarHBondContact O-N 3.01Å; M308-Y311 PolarHBondContact O-N 3.18Å; M308-Q312 WeakPolarHBondContact O-CG 3.34Å; M308-Q312 PolarHBondContact O-N 3.3Å
309T63.6Low66Low70 Ų70112.3 Ų112.343%0.42955%0.553SS.*Hα-helixtrans-68.7-34.1178.645.60000112.3G305 S306 R313G305-T309 WeakPolarHBondContact O-CG2 3.14Å; G305-T309 PolarHBondContact O-N 3.15Å; G305-T309 PolarHBondContact O-OG1 2.73Å; S306-T309 WeakPolarHBondContact CA-OG1 3.38Å; S306-T309 PolarHBondContact O-OG1 3.18Å; T309-R313 WeakPolarHBondContact O-CG 3.45Å; T309-R313 PolarHBondContact O-N 3.19Å; T309-R313 VanDerWaalsContact O-N 3.07Å
310T64.6Low65.3Low92 Ų92113.6 Ų113.656%0.56456%0.557SS**Hα-helixtrans-66.8-43.4172.7-55.50000111.2S306 D307 R313 S314S306-T310 WeakPolarHBondContact O-CB 3.21Å; S306-T310 PolarHBondContact O-N 2.9Å; S306-T310 PolarHBondContact O-OG1 2.99Å; D307-T310 PolarHBondContact O-N 3.18Å; T310-R313 PolarHBondContact O-N 3.01Å; T310-S314 PolarHBondContact O-N 2.97Å
311Y61.3Low64.4Low156 Ų156109.7 Ų109.761%0.61255%0.55SS**Hα-helixtrans-64.5-42.9176.5-162.6-101.1000112.2D307 M308 R313 S314 L315D307-Y311 WeakPolarHBondContact O-CB 3.43Å; D307-Y311 PolarHBondContact O-N 3.39Å; M308-Y311 PolarHBondContact O-N 3.18Å; Y311-R313 PolarHBondContact O-N 3.26Å; Y311-S314 PolarHBondContact O-N 3.41Å; Y311-L315 HydrophobicContact CD1-CD1 3.7Å; Y311-L315 HydrophobicContact CD1-CG 4.2Å; Y311-L315 HydrophobicContact CE1-CD1 3.56Å; Y311-L315 HydrophobicContact CE1-CD2 4.47Å; Y311-L315 HydrophobicContact CE1-CG 4.04Å; Y311-L315 WeakPolarHBondContact O-CG 3.36Å; Y311-L315 PolarHBondContact O-N 3.04Å
312Q65.1Low63.6Low117 Ų117111.5 Ų111.555%0.54755%0.551SS.*Hα-helixtrans-61.7-42.1174.8-79.3-179-54.500112.4M308 S314 L315 V316M308-Q312 WeakPolarHBondContact O-CG 3.34Å; M308-Q312 PolarHBondContact O-N 3.3Å; Q312-S314 PolarHBondContact O-N 3.35Å; Q312-L315 PolarHBondContact O-N 3.48Å; Q312-V316 VanDerWaalsContact O-CG2 3.29Å; Q312-V316 WeakPolarHBondContact O-CG2 3.29Å; Q312-V316 PolarHBondContact O-N 3.16Å
313R61.6Low63.1Low197 Ų197109.8 Ų109.874%0.74355%0.549SS*.Hα-helixtrans-63.5-39.7175.5-78.4-177.1-172.1159.92.5112.5T309 T310 Y311 V316 S317T309-R313 WeakPolarHBondContact O-CG 3.45Å; T309-R313 PolarHBondContact O-N 3.19Å; T309-R313 VanDerWaalsContact O-N 3.07Å; T310-R313 PolarHBondContact O-N 3.01Å; Y311-R313 PolarHBondContact O-N 3.26Å; R313-V316 PolarHBondContact O-N 2.89Å; R313-S317 PolarHBondContact O-N 3.24Å
314S67.4Low62.4Low65 Ų65108.3 Ų108.346%0.45555%0.55SS.*Hα-helixtrans-66.7-39.3176.1177.40000112.5T310 Y311 Q312 S317 T318T310-S314 PolarHBondContact O-N 2.97Å; Y311-S314 PolarHBondContact O-N 3.41Å; Q312-S314 PolarHBondContact O-N 3.35Å; S314-S317 PolarHBondContact O-N 3.41Å; S314-S317 PolarHBondContact O-OG 3.29Å; S314-T318 WeakPolarHBondContact O-CB 3.32Å; S314-T318 PolarHBondContact O-N 3.47Å; S314-T318 PolarHBondContact O-OG1 2.85Å
315L65.4Low61.9Low76 Ų76107.1 Ų107.140%0.39855%0.553SS.*Hα-helixtrans-64.4-44.9173.7-76.1173.7000111.6Y311 Q312 T318 F319Y311-L315 HydrophobicContact CD1-CD1 3.7Å; Y311-L315 HydrophobicContact CD1-CG 4.2Å; Y311-L315 HydrophobicContact CE1-CD1 3.56Å; Y311-L315 HydrophobicContact CE1-CD2 4.47Å; Y311-L315 HydrophobicContact CE1-CG 4.04Å; Y311-L315 WeakPolarHBondContact O-CG 3.36Å; Y311-L315 PolarHBondContact O-N 3.04Å; Q312-L315 PolarHBondContact O-N 3.48Å; L315-T318 PolarHBondContact O-N 2.88Å; L315-F319 WeakPolarHBondContact O-CD2 3.26Å; L315-F319 PolarHBondContact O-N 3.37Å
316V69.2Low61.7Low91 Ų91111.3 Ų111.355%0.55257%0.565SS**Hα-helixtrans-62.9-43.8177.8172.20000111Q312 R313 T318 F319 V320Q312-V316 VanDerWaalsContact O-CG2 3.29Å; Q312-V316 WeakPolarHBondContact O-CG2 3.29Å; Q312-V316 PolarHBondContact O-N 3.16Å; R313-V316 PolarHBondContact O-N 2.89Å; V316-T318 VanDerWaalsContact C-N 3.3Å; V316-T318 PolarHBondContact O-N 3.23Å; V316-F319 PolarHBondContact O-N 2.96Å; V316-V320 HydrophobicContact CG1-CG2 4.23Å; V316-V320 WeakPolarHBondContact O-CB 3.34Å; V316-V320 VanDerWaalsContact O-CG2 3.27Å; V316-V320 WeakPolarHBondContact O-CG2 3.38Å; V316-V320 PolarHBondContact O-N 2.91Å
317S64.7Low60.9Low61 Ų61119.1 Ų119.143%0.42758%0.584SS.*Hα-helixtrans-63.6-36.9176.574.90000112.3R313 S314 N321R313-S317 PolarHBondContact O-N 3.24Å; S314-S317 PolarHBondContact O-N 3.41Å; S314-S317 PolarHBondContact O-OG 3.29Å; S317-N321 WeakPolarHBondContact O-CB 3.34Å; S317-N321 PolarHBondContact O-N 3.31Å
318T65.9Low60.2Low85 Ų85119.3 Ų119.352%0.52159%0.591SS.*Hα-helixtrans-67.5-40.4176.4-51.80000111.4S314 L315 V316 R322S314-T318 WeakPolarHBondContact O-CB 3.32Å; S314-T318 PolarHBondContact O-N 3.47Å; S314-T318 PolarHBondContact O-OG1 2.85Å; L315-T318 PolarHBondContact O-N 2.88Å; V316-T318 VanDerWaalsContact C-N 3.3Å; V316-T318 PolarHBondContact O-N 3.23Å; T318-R322 WeakPolarHBondContact O-CB 3.48Å; T318-R322 PolarHBondContact O-N 3.16Å; T318-R322 VanDerWaalsContact O-N 3.15Å
319F58.4Low59.5Low134 Ų134119.8 Ų119.859%0.58860%0.601SS**Hα-helixtrans-68-40.8175.6-96.9-84000113L315 V316 R322 T323L315-F319 WeakPolarHBondContact O-CD2 3.26Å; L315-F319 PolarHBondContact O-N 3.37Å; V316-F319 PolarHBondContact O-N 2.96Å; F319-R322 PolarHBondContact O-N 3.3Å; F319-T323 PolarHBondContact O-N 3.05Å; F319-T323 VanDerWaalsContact O-N 3.08Å; F319-T323 PolarHBondContact O-OG1 3.06Å
320V62.2Low58.8Low70 Ų70121.7 Ų121.742%0.42461%0.612SS.*Hα-helixtrans-64.1-46.9176.9171.30000110.6V316 R322 T323 E324V316-V320 HydrophobicContact CG1-CG2 4.23Å; V316-V320 WeakPolarHBondContact O-CB 3.34Å; V316-V320 VanDerWaalsContact O-CG2 3.27Å; V316-V320 WeakPolarHBondContact O-CG2 3.38Å; V316-V320 PolarHBondContact O-N 2.91Å; V320-R322 PolarHBondContact O-N 3.32Å; V320-T323 WeakPolarHBondContact CA-OG1 3.45Å; V320-T323 PolarHBondContact O-N 3.2Å; V320-T323 VanDerWaalsContact O-N 3.15Å; V320-T323 PolarHBondContact O-OG1 3.13Å; V320-E324 PolarHBondContact O-N 3.37Å
321N57.2Low58.1Low110 Ų110124.6 Ų124.659%0.58862%0.623SS**Hα-helixtrans-61.3-30.9175.5-79.7-2.2000113.2S317S317-N321 WeakPolarHBondContact O-CB 3.34Å; S317-N321 PolarHBondContact O-N 3.31Å
322R56.5Low57.2Low181 Ų181126.4 Ų126.468%0.68363%0.634SS**Hα-helixtrans-75.5-30.1178.3-151.4-176.9-156.2-173.96112.9T318 F319 V320T318-R322 WeakPolarHBondContact O-CB 3.48Å; T318-R322 PolarHBondContact O-N 3.16Å; T318-R322 VanDerWaalsContact O-N 3.15Å; F319-R322 PolarHBondContact O-N 3.3Å; V320-R322 PolarHBondContact O-N 3.32Å
323T56.8Low56Low85 Ų85128 Ų12852%0.52165%0.646SS.*Hα-helixtrans-79.7-31.9-179.937.70000112.1F319 V320 Q325 I326F319-T323 PolarHBondContact O-N 3.05Å; F319-T323 VanDerWaalsContact O-N 3.08Å; F319-T323 PolarHBondContact O-OG1 3.06Å; V320-T323 WeakPolarHBondContact CA-OG1 3.45Å; V320-T323 PolarHBondContact O-N 3.2Å; V320-T323 VanDerWaalsContact O-N 3.15Å; V320-T323 PolarHBondContact O-OG1 3.13Å; T323-Q325 PolarHBondContact O-N 3.21Å; T323-I326 PolarHBondContact O-N 3.16Å
324E55.4Low55.5Low159 Ų159123.4 Ų123.474%0.74365%0.65SS**THydrogen-bonded Turntrans-67.4-18.6173.2-69.9-161.9163.900114.2V320 I326V320-E324 PolarHBondContact O-N 3.37Å; E324-I326 VanDerWaalsContact C-N 3.32Å
325Q53.8Low54.6Low164 Ų164129.3 Ų129.377%0.76667%0.668SS**THydrogen-bonded Turntrans-80.5-9175.2-74.5-176-18.200113.9T323 R327T323-Q325 PolarHBondContact O-N 3.21Å; Q325-R327 PolarHBondContact O-N 3.36Å
326I54.4Low53.9Low126 Ų126133.6 Ų133.665%0.64669%0.691SS**  trans-94.292.2-179-52.7173.6000108.6T323 E324T323-I326 PolarHBondContact O-N 3.16Å; E324-I326 VanDerWaalsContact C-N 3.32Å
327R45.8Very low52.9Low232 Ų232137.9 Ų137.988%0.87571%0.705SS**  trans-72.1128172.2-72-171.2-169.6-157.13110.3Q325Q325-R327 PolarHBondContact O-N 3.36Å
328P51.2Low52Low112 Ų112143.4 Ų143.473%0.72773%0.728SS**  trans-72.2129.3173.927.3-30.3000110.6V330P328-V330 PolarHBondContact O-N 2.79Å
329V48.3Very low51Low133 Ų133143.2 Ų143.281%0.80674%0.743SS**  trans-74.9111170.7176.70000107.8I331V329-I331 PolarHBondContact O-N 3.06Å
330V50.6Low49.8Very low109 Ų109148.3 Ų148.366%0.66178%0.775SS**  trans-80.4113.8178-1770000108.9P328 F332P328-V330 PolarHBondContact O-N 2.79Å; V330-F332 HydrophobicContact CG1-CD2 3.9Å; V330-F332 HydrophobicContact CG1-CE2 3.76Å
331I49.5Very low49.2Very low154 Ų154152.3 Ų152.379%0.7979%0.793SS**  trans-94.3107.8171.8-56.4176.3000107.3V329V329-I331 PolarHBondContact O-N 3.06Å
332F41.9Very low48.8Very low193 Ų193154.5 Ų154.585%0.84680%0.803SS**  trans-76126.9172.6-88.4-89.6000110V330V330-F332 HydrophobicContact CG1-CD2 3.9Å; V330-F332 HydrophobicContact CG1-CE2 3.76Å
333N40.2Very low48.4Very low152 Ų152153 Ų15381%0.81381%0.81SS**  trans-105.1120.8175-151.23.8000109.6K335N333-K335 PolarHBondContact O-N 3.11Å
334A50.6Low47.9Very low100 Ų100157 Ų15783%0.82683%0.827SS**  trans-83.292.8-177.900000110.1
335K48.3Very low47.4Very low188 Ų188156.9 Ų156.982%0.81783%0.832SS**  trans-150.615.2169.2-122.7178.7-175.5-175.90117.1N333N333-K335 PolarHBondContact O-N 3.11Å
336D51Low47Very low167 Ų167156.4 Ų156.489%0.89384%0.837SS**  trans-108.148.6174.8-69.4-22.9000112.5
337Q49.3Very low46.4Very low180 Ų180158.6 Ų158.684%0.84185%0.85SS**  trans-138.1102.1158.6-79.4-166.3-23.500107.6
338I45.5Very low46.5Very low178 Ų178152.9 Ų152.991%0.91385%0.849SS**  trans178.2121141.9-82.7143.8000106.8
339G45Very low46.1Very low81 Ų81156.3 Ų156.384%0.83586%0.859SS**  trans-176.163.4176.700000110.4
340L33.2Very low45.9Very low241 Ų241158.5 Ų158.5100%1.26286%0.863SS**  trans-1360151.6-145.6143.1000107.7

Retrieved 340 of 340 residues in 150.6 ms (Link to these results)

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