G4V891_SCHMA Loading...

Transmembrane protein 42

AlphaFold DB , UniProt , Accession G4V891, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 127 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
1M44.1Very low71.1Confident218 Ų21886.1 Ų86.1100%1.07444%0.438SS*.  0-26.60-146.5171.9177.100113.9
2I47.1Very low73Confident139 Ų13983.8 Ų83.871%0.71343%0.431SS*.  trans-67.7-33.4174.9-67165000112.5N4 K5 M6I2-N4 PolarHBondContact O-N 3.37Å; I2-K5 PolarHBondContact O-N 3.46Å; I2-M6 HydrophobicContact CG2-SD 4.34Å
3S52.8Low74.5Confident66 Ų6684.6 Ų84.646%0.46244%0.435SS..Hα-helixtrans-50.7-47.3-179.7-157.50000113.5K5 M6 I74S3-K5 VanDerWaalsContact C-N 3.32Å; S3-K5 PolarHBondContact O-N 3.37Å; S3-M6 PolarHBondContact O-N 2.96Å; S3-I74 WeakPolarHBondContact O-CG2 3.44Å; S3-I74 WeakPolarHBondContact OG-CG2 3.29Å
4N57.1Low75.9Confident69 Ų6978.6 Ų78.637%0.36940%0.404SS..Hα-helixtrans-71.5-22.3-173.2-70.6-7000114.4I2 Q76I2-N4 PolarHBondContact O-N 3.37Å; N4-Q76 PolarHBondContact ND2-OE1 3.48Å
5K63.7Low77.2Confident175 Ų17573.3 Ų73.376%0.76138%0.377SS*.Hα-helixtrans-79.6-22.3-179.9-70.4-162.4177.2-165.30112.9I2 S3 P9I2-K5 PolarHBondContact O-N 3.46Å; S3-K5 VanDerWaalsContact C-N 3.32Å; S3-K5 PolarHBondContact O-N 3.37Å; K5-P9 WeakPolarHBondContact O-CD 3.35Å; K5-P9 WeakPolarHBondContact O-CG 3.3Å
6M77.2Confident78.3Confident108 Ų10874.3 Ų74.353%0.53238%0.378SS..Hα-helixtrans-88-18.9-176.1-68.4-175.667.700113.8I2 S3 P9 L10I2-M6 HydrophobicContact CG2-SD 4.34Å; S3-M6 PolarHBondContact O-N 2.96Å; M6-P9 WeakPolarHBondContact O-CD 3.49Å; M6-L10 WeakPolarHBondContact O-CB 3.31Å; M6-L10 PolarHBondContact O-N 2.86Å; M6-L10 VanDerWaalsContact O-N 3.11Å
7G82Confident79.3Confident0 Ų071.6 Ų71.60%037%0.367CS..Hα-helixtrans-59.8-48.7-177.900000114.1L10 A11 S75G7-L10 PolarHBondContact O-N 3.42Å; G7-A11 PolarHBondContact O-N 3.35Å; G7-S75 VanDerWaalsContact CA-OG 3.26Å; G7-S75 WeakPolarHBondContact CA-OG 3.35Å
8Y85.6Confident80.2Confident62 Ų6267.8 Ų67.824%0.24335%0.348CS..Hα-helixtrans-68.1-45.2-179.9-56.6-68.9000113.7L10 A11 V12 A80 V124Y8-L10 VanDerWaalsContact C-N 3.25Å; Y8-L10 PolarHBondContact O-N 3.36Å; Y8-A11 WeakPolarHBondContact O-CB 3.31Å; Y8-A11 PolarHBondContact O-N 3.02Å; Y8-A11 VanDerWaalsContact O-N 3.13Å; Y8-V12 WeakPolarHBondContact O-CG2 3.43Å; Y8-V12 PolarHBondContact O-N 3.34Å; Y8-A80 HydrophobicContact CE1-CB 3.86Å; Y8-V124 HydrophobicContact CE1-CG2 3.86Å; Y8-V124 HydrophobicContact CE2-CG1 4.36Å
9P89.7Confident81Confident69 Ų6964.2 Ų64.245%0.44833%0.33SS..Hα-helixtrans-54-42.1171.1-27.533.7000112.9K5 M6 A11 V12 I13K5-P9 WeakPolarHBondContact O-CD 3.35Å; K5-P9 WeakPolarHBondContact O-CG 3.3Å; M6-P9 WeakPolarHBondContact O-CD 3.49Å; P9-A11 VanDerWaalsContact C-N 3.35Å; P9-A11 PolarHBondContact O-N 3.09Å; P9-V12 PolarHBondContact O-N 3.19Å; P9-I13 WeakPolarHBondContact O-CG1 3.48Å; P9-I13 PolarHBondContact O-N 3.31Å
10L90.6Very high81.6Confident41 Ų4162.7 Ų62.722%0.21533%0.325CS..Hα-helixtrans-66.4-37.9178.2-137.983.5000112M6 G7 Y8 V12 I13 S14 T70 A71M6-L10 WeakPolarHBondContact O-CB 3.31Å; M6-L10 PolarHBondContact O-N 2.86Å; M6-L10 VanDerWaalsContact O-N 3.11Å; G7-L10 PolarHBondContact O-N 3.42Å; Y8-L10 VanDerWaalsContact C-N 3.25Å; Y8-L10 PolarHBondContact O-N 3.36Å; L10-V12 VanDerWaalsContact C-N 3.34Å; L10-I13 PolarHBondContact O-N 3.49Å; L10-S14 WeakPolarHBondContact O-CB 3.11Å; L10-S14 PolarHBondContact O-N 2.94Å; L10-T70 HydrophobicContact CD2-CG2 3.43Å; L10-T70 VanDerWaalsContact CD2-CG2 3.43Å; L10-A71 HydrophobicContact CB-CB 3.96Å; L10-A71 HydrophobicContact CD2-CB 4.31Å
11A92Very high82.2Confident0 Ų060.5 Ų60.50%031%0.314CS..Hα-helixtrans-61.8-41.2173.400000111.9G7 Y8 P9 S14 G15 A71 A81 T84 N85G7-A11 PolarHBondContact O-N 3.35Å; Y8-A11 WeakPolarHBondContact O-CB 3.31Å; Y8-A11 PolarHBondContact O-N 3.02Å; Y8-A11 VanDerWaalsContact O-N 3.13Å; P9-A11 VanDerWaalsContact C-N 3.35Å; P9-A11 PolarHBondContact O-N 3.09Å; A11-S14 PolarHBondContact O-N 3.27Å; A11-G15 PolarHBondContact O-N 2.97Å; A11-A71 HydrophobicContact CB-CB 4.1Å; A11-A81 HydrophobicContact CB-CB 4.42Å; A11-A81 WeakPolarHBondContact CB-O 3.34Å; A11-T84 HydrophobicContact CB-CG2 4.25Å; A11-N85 HydrophobicContact CB-CB 4.23Å; A11-N85 WeakPolarHBondContact O-CA 3.38Å; A11-N85 PolarHBondContact O-ND2 3.41Å
12V93.7Very high84.5Confident59 Ų5953.4 Ų53.436%0.35829%0.286SS..Hα-helixtrans-62.6-47.7175.1174.80000110.8Y8 P9 L10 S14 G15 F16 T84 S88 F92Y8-V12 WeakPolarHBondContact O-CG2 3.43Å; Y8-V12 PolarHBondContact O-N 3.34Å; P9-V12 PolarHBondContact O-N 3.19Å; L10-V12 VanDerWaalsContact C-N 3.34Å; V12-S14 VanDerWaalsContact C-N 3.33Å; V12-S14 PolarHBondContact O-N 2.61Å; V12-G15 PolarHBondContact O-N 2.89Å; V12-G15 VanDerWaalsContact O-N 3.08Å; V12-F16 PolarHBondContact O-N 3.27Å; V12-T84 HydrophobicContact CG2-CG2 3.7Å; V12-S88 PolarHBondContact O-OG 3.36Å; V12-F92 HydrophobicContact CG1-CE2 4.41Å
13I93.7Very high86.7Confident94 Ų9448.2 Ų48.248%0.48226%0.259SS..Hα-helixtrans-59.5-45.2177.2-67.4166.1000110.7P9 L10 G15 F16 C17P9-I13 WeakPolarHBondContact O-CG1 3.48Å; P9-I13 PolarHBondContact O-N 3.31Å; L10-I13 PolarHBondContact O-N 3.49Å; I13-G15 VanDerWaalsContact C-N 3.26Å; I13-G15 PolarHBondContact O-N 3.24Å; I13-F16 WeakPolarHBondContact O-CB 3.41Å; I13-F16 PolarHBondContact O-N 3.43Å; I13-C17 PolarHBondContact O-N 2.92Å
14S93.9Very high88.6Confident0 Ų047.5 Ų47.50%025%0.247CC..Hα-helixtrans-60.2-38.7175.8174.20000111.4L10 A11 V12 C17 A18 M64 L68 N85L10-S14 WeakPolarHBondContact O-CB 3.11Å; L10-S14 PolarHBondContact O-N 2.94Å; A11-S14 PolarHBondContact O-N 3.27Å; V12-S14 VanDerWaalsContact C-N 3.33Å; V12-S14 PolarHBondContact O-N 2.61Å; S14-C17 PolarHBondContact O-N 3.46Å; S14-A18 WeakPolarHBondContact O-CB 3.31Å; S14-A18 PolarHBondContact O-N 2.92Å; S14-M64 WeakPolarHBondContact O-CG 3.43Å; S14-M64 PolarHBondContact OG-O 2.82Å; S14-L68 WeakPolarHBondContact OG-CB 3.39Å; S14-L68 PolarHBondContact OG-N 3.2Å; S14-N85 WeakPolarHBondContact CB-ND2 3.38Å; S14-N85 PolarHBondContact OG-ND2 3.45Å
15G95.1Very high90.1Very high0 Ų045.8 Ų45.80%025%0.245CC..Hα-helixtrans-67.6-37.8178.400000112A11 V12 I13 A18 A19 N85 N89A11-G15 PolarHBondContact O-N 2.97Å; V12-G15 PolarHBondContact O-N 2.89Å; V12-G15 VanDerWaalsContact O-N 3.08Å; I13-G15 VanDerWaalsContact C-N 3.26Å; I13-G15 PolarHBondContact O-N 3.24Å; G15-A18 WeakPolarHBondContact O-CB 3.2Å; G15-A18 PolarHBondContact O-N 3.28Å; G15-A19 PolarHBondContact O-N 2.86Å; G15-N85 WeakPolarHBondContact CA-ND2 3.48Å; G15-N85 WeakPolarHBondContact CA-O 3.15Å; G15-N85 PolarHBondContact N-ND2 3.27Å; G15-N89 WeakPolarHBondContact O-CA 3.28Å
16F95.4Very high91.4Very high88 Ų8841 Ų4139%0.38622%0.224SC..Hα-helixtrans-62-47.1171.1175.8-100.2000111.8V12 I13 A18 A19 C20 F92 F96V12-F16 PolarHBondContact O-N 3.27Å; I13-F16 WeakPolarHBondContact O-CB 3.41Å; I13-F16 PolarHBondContact O-N 3.43Å; F16-A18 PolarHBondContact O-N 3.26Å; F16-A19 PolarHBondContact O-N 2.96Å; F16-C20 PolarHBondContact O-N 3.01Å; F16-C20 PolarHBondContact O-SG 3.12Å; F16-C20 VanDerWaalsContact O-SG 3.41Å; F16-F92 HydrophobicContact CB-CD2 3.76Å; F16-F92 HydrophobicContact CB-CE2 3.78Å; F16-F92 HydrophobicContact CB-CG 4.45Å; F16-F92 HydrophobicContact CB-CZ 4.46Å; F16-F92 HydrophobicContact CD2-CB 4.42Å; F16-F92 AromaticContact CD2-CD1 3.76Å; F16-F92 HydrophobicContact CD2-CD1 3.76Å; F16-F92 AromaticContact CD2-CD2 3.88Å; F16-F92 HydrophobicContact CD2-CD2 3.88Å; F16-F92 AromaticContact CD2-CE1 3.89Å; F16-F92 HydrophobicContact CD2-CE1 3.89Å; F16-F92 HydrophobicContact CD2-CE2 4.02Å; F16-F92 AromaticContact CD2-CG 3.77Å; F16-F92 HydrophobicContact CD2-CG 3.77Å; F16-F92 HydrophobicContact CD2-CZ 4.02Å; F16-F92 HydrophobicContact CE2-CD1 4.31Å; F16-F92 HydrophobicContact CE2-CE1 4.45Å; F16-F92 HydrophobicContact CG-CD2 4.34Å; F16-F92 HydrophobicContact CG-CE2 4.38Å; F16-F96 HydrophobicContact CD2-CZ 4.45Å; F16-F96 AromaticContact CE2-CZ 3.77Å; F16-F96 HydrophobicContact CE2-CZ 3.77Å; F16-F96 HydrophobicContact CZ-CZ 4.36Å
17C94.4Very high92Very high29 Ų2937.2 Ų37.220%0.19621%0.206CC..Hα-helixtrans-60.9-34.7175.1-72.90000112.3I13 S14 C20 T21 M64I13-C17 PolarHBondContact O-N 2.92Å; S14-C17 PolarHBondContact O-N 3.46Å; C17-C20 PolarHBondContact O-N 3.44Å; C17-T21 WeakPolarHBondContact O-CB 3.36Å; C17-T21 PolarHBondContact O-N 3Å; C17-T21 PolarHBondContact O-OG1 3.41Å; C17-M64 HydrophobicContact CB-CB 3.96Å; C17-M64 HydrophobicContact CB-CG 4.26Å
18A94.8Very high92.4Very high3 Ų338.2 Ų38.23%0.02521%0.211CC..Hα-helixtrans-62.9-48.7175.500000110.3S14 G15 F16 C20 T21 S22 M64 N89S14-A18 WeakPolarHBondContact O-CB 3.31Å; S14-A18 PolarHBondContact O-N 2.92Å; G15-A18 WeakPolarHBondContact O-CB 3.2Å; G15-A18 PolarHBondContact O-N 3.28Å; F16-A18 PolarHBondContact O-N 3.26Å; A18-C20 VanDerWaalsContact C-N 3.32Å; A18-C20 PolarHBondContact O-N 2.73Å; A18-T21 WeakPolarHBondContact O-CB 3.35Å; A18-T21 PolarHBondContact O-N 3.45Å; A18-T21 VanDerWaalsContact O-N 3.07Å; A18-S22 PolarHBondContact O-N 3.01Å; A18-S22 PolarHBondContact O-OG 3Å; A18-M64 HydrophobicContact CB-CG 3.68Å; A18-M64 HydrophobicContact CB-SD 3.38Å; A18-M64 WeakPolarHBondContact CB-SD 3.3Å; A18-N89 HydrophobicContact CB-CB 4.08Å
19A95.7Very high92.4Very high0 Ų040.1 Ų40.10%023%0.234CC..Hα-helixtrans-60.6-41176.600000112.1G15 F16 T21 S22 L23 N89 F92 S93 F96G15-A19 PolarHBondContact O-N 2.86Å; F16-A19 PolarHBondContact O-N 2.96Å; A19-T21 VanDerWaalsContact C-N 3.33Å; A19-T21 PolarHBondContact O-N 3.27Å; A19-S22 PolarHBondContact O-N 3.5Å; A19-L23 WeakPolarHBondContact O-CB 3.44Å; A19-L23 PolarHBondContact O-N 3.25Å; A19-N89 WeakPolarHBondContact CA-OD1 3.26Å; A19-N89 PolarHBondContact N-OD1 3.25Å; A19-F92 HydrophobicContact CB-CB 3.49Å; A19-F92 VanDerWaalsContact CB-CB 3.49Å; A19-S93 WeakPolarHBondContact CA-OG 3.33Å; A19-S93 WeakPolarHBondContact CB-OG 3.4Å; A19-F96 HydrophobicContact CB-CD2 3.98Å; A19-F96 HydrophobicContact CB-CE2 3.79Å
20C94.1Very high92.3Very high34 Ų3442.8 Ų42.823%0.2324%0.24CC..Hα-helixtrans-61.9-39.9173.5-71.60000112.3F16 C17 A18 L23 Y24F16-C20 PolarHBondContact O-N 3.01Å; F16-C20 PolarHBondContact O-SG 3.12Å; F16-C20 VanDerWaalsContact O-SG 3.41Å; C17-C20 PolarHBondContact O-N 3.44Å; A18-C20 VanDerWaalsContact C-N 3.32Å; A18-C20 PolarHBondContact O-N 2.73Å; C20-L23 PolarHBondContact O-N 3.34Å; C20-Y24 VanDerWaalsContact O-CB 3.26Å; C20-Y24 WeakPolarHBondContact O-CB 3.37Å; C20-Y24 PolarHBondContact O-N 3.15Å
21T93.4Very high92Very high16 Ų1641.8 Ų41.810%0.09824%0.24CC..Hα-helixtrans-66.4-43.8177.8-55.10000110.8C17 A18 A19 Y24 G25 L60 N61C17-T21 WeakPolarHBondContact O-CB 3.36Å; C17-T21 PolarHBondContact O-N 3Å; C17-T21 PolarHBondContact O-OG1 3.41Å; A18-T21 WeakPolarHBondContact O-CB 3.35Å; A18-T21 PolarHBondContact O-N 3.45Å; A18-T21 VanDerWaalsContact O-N 3.07Å; A19-T21 VanDerWaalsContact C-N 3.33Å; A19-T21 PolarHBondContact O-N 3.27Å; T21-Y24 PolarHBondContact O-N 2.87Å; T21-G25 PolarHBondContact O-N 3.2Å; T21-L60 HydrophobicContact CG2-CB 4.44Å; T21-N61 HydrophobicContact CG2-CB 3.91Å
22S92.7Very high91.7Very high69 Ų6947.7 Ų47.748%0.48326%0.263SS..Hα-helixtrans-62.9-43.8174.8-65.10000112.1A18 A19 G25 K26A18-S22 PolarHBondContact O-N 3.01Å; A18-S22 PolarHBondContact O-OG 3Å; A19-S22 PolarHBondContact O-N 3.5Å; S22-G25 PolarHBondContact O-N 3.32Å; S22-K26 PolarHBondContact O-N 3.45Å
23L92.9Very high91.3Very high30 Ų3046 Ų4616%0.15725%0.252CS..Hα-helixtrans-59.8-50.4174.7173.262.3000111.2A19 C20 G25 K26 L27 F96 I100 F101A19-L23 WeakPolarHBondContact O-CB 3.44Å; A19-L23 PolarHBondContact O-N 3.25Å; C20-L23 PolarHBondContact O-N 3.34Å; L23-G25 VanDerWaalsContact C-N 3.3Å; L23-G25 PolarHBondContact O-N 3.09Å; L23-K26 PolarHBondContact O-N 2.98Å; L23-L27 HydrophobicContact CD1-CD1 3.9Å; L23-L27 HydrophobicContact CD1-CG 4.03Å; L23-L27 HydrophobicContact CG-CD1 3.98Å; L23-L27 HydrophobicContact CG-CG 4.48Å; L23-L27 WeakPolarHBondContact O-CG 3.4Å; L23-L27 PolarHBondContact O-N 3.11Å; L23-F96 HydrophobicContact CB-CD2 4.25Å; L23-F96 HydrophobicContact CD1-CB 4.41Å; L23-F96 HydrophobicContact CD2-CB 4.23Å; L23-F96 HydrophobicContact CD2-CD1 4.26Å; L23-F96 HydrophobicContact CD2-CD2 4.04Å; L23-F96 HydrophobicContact CD2-CE2 4.46Å; L23-F96 HydrophobicContact CD2-CG 3.94Å; L23-I100 HydrophobicContact CD1-CD1 3.55Å; L23-I100 HydrophobicContact CD1-CG2 4.49Å; L23-I100 HydrophobicContact CD2-CD1 3.44Å; L23-I100 VanDerWaalsContact CD2-CD1 3.44Å; L23-I100 HydrophobicContact CG-CD1 4.11Å; L23-F101 HydrophobicContact CD1-CE2 3.56Å; L23-F101 HydrophobicContact CD1-CZ 3.95Å
24Y92.2Very high90.9Very high52 Ų5244.1 Ų44.120%0.20424%0.243CC..Hα-helixtrans-59.2-43.6178.9-170.3-88.1000111.1C20 T21 K26 L27 L28 I33 S53 A57 L60C20-Y24 VanDerWaalsContact O-CB 3.26Å; C20-Y24 WeakPolarHBondContact O-CB 3.37Å; C20-Y24 PolarHBondContact O-N 3.15Å; T21-Y24 PolarHBondContact O-N 2.87Å; Y24-K26 PolarHBondContact O-N 3.25Å; Y24-L27 PolarHBondContact O-N 2.96Å; Y24-L28 HydrophobicContact CD1-CD1 4.37Å; Y24-L28 HydrophobicContact CE1-CD1 3.7Å; Y24-L28 WeakPolarHBondContact O-CB 3.13Å; Y24-L28 PolarHBondContact O-N 2.96Å; Y24-I33 HydrophobicContact CD1-CD1 4.36Å; Y24-I33 HydrophobicContact CD2-CD1 3.42Å; Y24-I33 VanDerWaalsContact CD2-CD1 3.42Å; Y24-I33 HydrophobicContact CE1-CD1 4.23Å; Y24-I33 HydrophobicContact CE2-CD1 3.28Å; Y24-I33 HydrophobicContact CG-CD1 3.98Å; Y24-S53 WeakPolarHBondContact CE1-O 3.41Å; Y24-S53 PolarHBondContact OH-O 2.71Å; Y24-A57 HydrophobicContact CD1-CB 3.77Å; Y24-A57 HydrophobicContact CE1-CB 3.87Å; Y24-L60 HydrophobicContact CD1-CD1 4.44Å; Y24-L60 HydrophobicContact CD2-CD1 4.14Å; Y24-L60 HydrophobicContact CG-CD1 3.96Å
25G90Very high90.6Very high32 Ų3248.7 Ų48.733%0.3327%0.271SS..Hα-helixtrans-60.4-43.5175.500000113T21 S22 L23 L28 S29T21-G25 PolarHBondContact O-N 3.2Å; S22-G25 PolarHBondContact O-N 3.32Å; L23-G25 VanDerWaalsContact C-N 3.3Å; L23-G25 PolarHBondContact O-N 3.09Å; G25-L28 PolarHBondContact O-N 3.38Å; G25-S29 WeakPolarHBondContact O-CB 3.26Å; G25-S29 PolarHBondContact O-N 2.92Å
26K90.1Very high90.3Very high75 Ų7554.7 Ų54.733%0.32630%0.297SS..Hα-helixtrans-64.5-47.4177.4-168.1169.8176.6-175.40111.6S22 L23 Y24 L28 S29 E30 F101 E103S22-K26 PolarHBondContact O-N 3.45Å; L23-K26 PolarHBondContact O-N 2.98Å; Y24-K26 PolarHBondContact O-N 3.25Å; K26-L28 VanDerWaalsContact C-N 3.27Å; K26-L28 PolarHBondContact O-N 3.49Å; K26-S29 PolarHBondContact O-N 3.32Å; K26-E30 PolarHBondContact O-N 3.34Å; K26-F101 HydrophobicContact CB-CZ 4.16Å; K26-F101 HydrophobicContact CD-CD2 4.42Å; K26-F101 HydrophobicContact CD-CE1 4.02Å; K26-F101 HydrophobicContact CD-CE2 3.8Å; K26-F101 HydrophobicContact CD-CZ 3.58Å; K26-F101 HydrophobicContact CG-CE1 4.13Å; K26-F101 HydrophobicContact CG-CE2 4.43Å; K26-F101 HydrophobicContact CG-CZ 3.75Å; K26-E103 IonicContact NZ-OE1 2.66Å; K26-E103 PolarHBondContact NZ-OE1 3.18Å
27L90.4Very high89.8Confident28 Ų2852.5 Ų52.515%0.14729%0.289CS..Hα-helixtrans-64.3-31.5177.2-67174.2000113.1L23 Y24 G31 Y32 I33 I100 F101L23-L27 HydrophobicContact CD1-CD1 3.9Å; L23-L27 HydrophobicContact CD1-CG 4.03Å; L23-L27 HydrophobicContact CG-CD1 3.98Å; L23-L27 HydrophobicContact CG-CG 4.48Å; L23-L27 WeakPolarHBondContact O-CG 3.4Å; L23-L27 PolarHBondContact O-N 3.11Å; Y24-L27 PolarHBondContact O-N 2.96Å; L27-G31 PolarHBondContact O-N 3.16Å; L27-Y32 HydrophobicContact CD2-CD1 4.21Å; L27-Y32 PolarHBondContact O-N 3.13Å; L27-I33 HydrophobicContact CB-CD1 3.94Å; L27-I33 HydrophobicContact CB-CG1 3.81Å; L27-I33 PolarHBondContact O-N 2.92Å; L27-I100 HydrophobicContact CD2-CG2 4.4Å; L27-F101 HydrophobicContact CD2-CE1 4.12Å; L27-F101 HydrophobicContact CD2-CZ 3.85Å; L27-F101 HydrophobicContact CG-CZ 4.26Å
28L89.6Confident89.5Confident21 Ų2153.5 Ų53.511%0.1129%0.292CS..Hα-helixtrans-72.9-40.6175.1-170.9146.8000111.2Y24 G25 K26 E30 G31 S53 Y54Y24-L28 HydrophobicContact CD1-CD1 4.37Å; Y24-L28 HydrophobicContact CE1-CD1 3.7Å; Y24-L28 WeakPolarHBondContact O-CB 3.13Å; Y24-L28 PolarHBondContact O-N 2.96Å; G25-L28 PolarHBondContact O-N 3.38Å; K26-L28 VanDerWaalsContact C-N 3.27Å; K26-L28 PolarHBondContact O-N 3.49Å; L28-E30 VanDerWaalsContact C-N 3.35Å; L28-G31 WeakPolarHBondContact O-CA 3.44Å; L28-G31 PolarHBondContact O-N 3.39Å; L28-S53 VanDerWaalsContact CD1-C 3.5Å; L28-S53 VanDerWaalsContact CD1-CB 3.44Å; L28-Y54 HydrophobicContact CD2-CD1 3.87Å; L28-Y54 HydrophobicContact CD2-CD2 4.45Å; L28-Y54 HydrophobicContact CD2-CE1 3.35Å; L28-Y54 HydrophobicContact CD2-CE2 4.01Å; L28-Y54 HydrophobicContact CD2-CG 4.39Å; L28-Y54 VanDerWaalsContact CD2-CZ 3.42Å
29S87Confident89.2Confident103 Ų10357.2 Ų57.272%0.7232%0.323SS*.Hα-helixtrans-65.3-36176.4-170.60000112.9G25 K26 G31G25-S29 WeakPolarHBondContact O-CB 3.26Å; G25-S29 PolarHBondContact O-N 2.92Å; K26-S29 PolarHBondContact O-N 3.32Å; S29-G31 PolarHBondContact O-N 2.95Å
30E86.9Confident88.9Confident124 Ų12461.3 Ų61.358%0.57935%0.351SS*.THydrogen-bonded Turntrans-76.9-2173.1-69.5-176.1-171.300112.7K26 L28 Y32K26-E30 PolarHBondContact O-N 3.34Å; L28-E30 VanDerWaalsContact C-N 3.35Å; E30-Y32 PolarHBondContact O-N 3.34Å
31G83.5Confident88.5Confident21 Ų2164.9 Ų64.922%0.21636%0.362CS..THydrogen-bonded Turntrans76.5-6.7179.300000114.5L27 L28 S29 I33 L34 T35L27-G31 PolarHBondContact O-N 3.16Å; L28-G31 WeakPolarHBondContact O-CA 3.44Å; L28-G31 PolarHBondContact O-N 3.39Å; S29-G31 PolarHBondContact O-N 2.95Å; G31-I33 VanDerWaalsContact C-N 3.31Å; G31-I33 PolarHBondContact O-N 3.3Å; G31-L34 WeakPolarHBondContact O-CA 3.03Å; G31-L34 WeakPolarHBondContact O-CB 3.48Å; G31-L34 PolarHBondContact O-N 3.38Å; G31-T35 PolarHBondContact O-N 3.47Å; G31-T35 PolarHBondContact O-OG1 3.31Å
32Y86.7Confident88Confident124 Ų12468.9 Ų68.949%0.48639%0.388SS..Hα-helixtrans-51.1-46.3-176179.1-97.7000113.2L27 E30 L34 T35 K36L27-Y32 HydrophobicContact CD2-CD1 4.21Å; L27-Y32 PolarHBondContact O-N 3.13Å; E30-Y32 PolarHBondContact O-N 3.34Å; Y32-L34 VanDerWaalsContact C-N 3.34Å; Y32-T35 PolarHBondContact O-N 2.95Å; Y32-K36 HydrophobicContact CE1-CG 4.12Å; Y32-K36 HydrophobicContact CE2-CG 4.42Å; Y32-K36 WeakPolarHBondContact O-CG 3.29Å; Y32-K36 PolarHBondContact O-N 3.38Å; Y32-K36 VanDerWaalsContact OH-CE 3.28Å; Y32-K36 WeakPolarHBondContact OH-CE 3.38Å
33I84.7Confident87.7Confident24 Ų2473.4 Ų73.412%0.12341%0.407CS..Hα-helixtrans-64.5-42178.5-61.7-165.8000110.9Y24 L27 G31 K36 L37Y24-I33 HydrophobicContact CD1-CD1 4.36Å; Y24-I33 HydrophobicContact CD2-CD1 3.42Å; Y24-I33 VanDerWaalsContact CD2-CD1 3.42Å; Y24-I33 HydrophobicContact CE1-CD1 4.23Å; Y24-I33 HydrophobicContact CE2-CD1 3.28Å; Y24-I33 HydrophobicContact CG-CD1 3.98Å; L27-I33 HydrophobicContact CB-CD1 3.94Å; L27-I33 HydrophobicContact CB-CG1 3.81Å; L27-I33 PolarHBondContact O-N 2.92Å; G31-I33 VanDerWaalsContact C-N 3.31Å; G31-I33 PolarHBondContact O-N 3.3Å; I33-K36 PolarHBondContact O-N 3.37Å; I33-L37 HydrophobicContact CG2-CD1 4.06Å; I33-L37 WeakPolarHBondContact O-CB 3.38Å; I33-L37 PolarHBondContact O-N 3.21Å
34L85.3Confident87.4Confident53 Ų5373.6 Ų73.628%0.27741%0.413SS..Hα-helixtrans-65.2-44179.9-174.864.6000110.9G31 Y32 K36 L37 L38 L49 V50G31-L34 WeakPolarHBondContact O-CA 3.03Å; G31-L34 WeakPolarHBondContact O-CB 3.48Å; G31-L34 PolarHBondContact O-N 3.38Å; Y32-L34 VanDerWaalsContact C-N 3.34Å; L34-K36 VanDerWaalsContact C-N 3.33Å; L34-K36 PolarHBondContact O-N 2.94Å; L34-L37 PolarHBondContact O-N 2.99Å; L34-L38 HydrophobicContact CD1-CD1 3.67Å; L34-L38 HydrophobicContact CG-CD1 3.76Å; L34-L38 WeakPolarHBondContact O-CD1 3.31Å; L34-L38 PolarHBondContact O-N 3.42Å; L34-L49 HydrophobicContact CD1-CB 3.96Å; L34-V50 HydrophobicContact CD1-CB 4.49Å; L34-V50 HydrophobicContact CD1-CG2 3.58Å; L34-V50 HydrophobicContact CD2-CG2 3.68Å; L34-V50 HydrophobicContact CG-CG2 4.29Å
35T87.4Confident87.2Confident96 Ų9676.1 Ų76.159%0.58943%0.431SS*.Hα-helixtrans-62.6-41177.2-16.80000111.5G31 Y32 A39G31-T35 PolarHBondContact O-N 3.47Å; G31-T35 PolarHBondContact O-OG1 3.31Å; Y32-T35 PolarHBondContact O-N 2.95Å; T35-A39 WeakPolarHBondContact O-CB 3.3Å; T35-A39 PolarHBondContact O-N 2.94Å
36K88.3Confident87.1Confident126 Ų12681.2 Ų81.255%0.54844%0.443SS..Hα-helixtrans-65.5-40.6175.6-75.4-70-173.8-178.60112.3Y32 I33 L34 A39 C40Y32-K36 HydrophobicContact CE1-CG 4.12Å; Y32-K36 HydrophobicContact CE2-CG 4.42Å; Y32-K36 WeakPolarHBondContact O-CG 3.29Å; Y32-K36 PolarHBondContact O-N 3.38Å; Y32-K36 VanDerWaalsContact OH-CE 3.28Å; Y32-K36 WeakPolarHBondContact OH-CE 3.38Å; I33-K36 PolarHBondContact O-N 3.37Å; L34-K36 VanDerWaalsContact C-N 3.33Å; L34-K36 PolarHBondContact O-N 2.94Å; K36-A39 PolarHBondContact O-N 2.87Å; K36-C40 PolarHBondContact O-N 3.37Å; K36-C40 VanDerWaalsContact O-N 3.07Å
37L85.8Confident87Confident42 Ų4283.6 Ų83.622%0.2246%0.46CS..Hα-helixtrans-65-45.2175.7-93.8163000112I33 L34 A39 C40 F41 L49 S53I33-L37 HydrophobicContact CG2-CD1 4.06Å; I33-L37 WeakPolarHBondContact O-CB 3.38Å; I33-L37 PolarHBondContact O-N 3.21Å; L34-L37 PolarHBondContact O-N 2.99Å; L37-A39 VanDerWaalsContact C-N 3.27Å; L37-A39 PolarHBondContact O-N 3.5Å; L37-C40 PolarHBondContact O-N 3.31Å; L37-F41 HydrophobicContact CD2-CD2 3.91Å; L37-F41 HydrophobicContact CD2-CE2 3.97Å; L37-F41 PolarHBondContact O-N 2.92Å; L37-L49 HydrophobicContact CB-CD1 4.33Å; L37-L49 HydrophobicContact CB-CD2 4.25Å; L37-L49 HydrophobicContact CD2-CD2 4.06Å; L37-S53 WeakPolarHBondContact CD1-OG 3.23Å
38L87.8Confident87Confident51 Ų5188.8 Ų88.827%0.26748%0.481SS..Hα-helixtrans-61-37.3174.5-94.588.5000111.9L34 C40 F41 P42 K46 L49L34-L38 HydrophobicContact CD1-CD1 3.67Å; L34-L38 HydrophobicContact CG-CD1 3.76Å; L34-L38 WeakPolarHBondContact O-CD1 3.31Å; L34-L38 PolarHBondContact O-N 3.42Å; L38-C40 VanDerWaalsContact C-N 3.32Å; L38-C40 PolarHBondContact O-N 2.93Å; L38-F41 CarbonylContact O-C 3.42Å; L38-F41 PolarHBondContact O-N 3.43Å; L38-P42 VanDerWaalsContact O-CA 3.3Å; L38-P42 WeakPolarHBondContact O-CA 3.21Å; L38-P42 VanDerWaalsContact O-N 3.16Å; L38-K46 HydrophobicContact CD2-CD 4.26Å; L38-K46 HydrophobicContact CD2-CG 4.12Å; L38-L49 HydrophobicContact CD1-CD1 3.65Å; L38-L49 HydrophobicContact CG-CD1 3.91Å
39A89.2Confident86.9Confident81 Ų8188.2 Ų88.267%0.66948%0.478SS*.Hα-helixtrans-66.6-34176.700000112.7T35 K36 L37T35-A39 WeakPolarHBondContact O-CB 3.3Å; T35-A39 PolarHBondContact O-N 2.94Å; K36-A39 PolarHBondContact O-N 2.87Å; L37-A39 VanDerWaalsContact C-N 3.27Å; L37-A39 PolarHBondContact O-N 3.5Å
40C88.5Confident87Confident86 Ų8685.7 Ų85.758%0.58146%0.458SS*.Hα-helixtrans-78.7-30.8176.5-166.90000112.6K36 L37 L38K36-C40 PolarHBondContact O-N 3.37Å; K36-C40 VanDerWaalsContact O-N 3.07Å; L37-C40 PolarHBondContact O-N 3.31Å; L38-C40 VanDerWaalsContact C-N 3.32Å; L38-C40 PolarHBondContact O-N 2.93Å
41F87.3Confident87.1Confident108 Ų10887.2 Ų87.247%0.47446%0.463SS..  trans-131.974.2-176.7-55.8-74.8000110.3L37 L38 D43 A44L37-F41 HydrophobicContact CD2-CD2 3.91Å; L37-F41 HydrophobicContact CD2-CE2 3.97Å; L37-F41 PolarHBondContact O-N 2.92Å; L38-F41 CarbonylContact O-C 3.42Å; L38-F41 PolarHBondContact O-N 3.43Å; F41-D43 VanDerWaalsContact C-N 3.27Å; F41-D43 PolarHBondContact O-N 2.92Å; F41-A44 HydrophobicContact CB-CB 3.71Å; F41-A44 WeakPolarHBondContact O-CB 3.49Å; F41-A44 PolarHBondContact O-N 3.34Å
42P82Confident87.4Confident100 Ų10088.9 Ų88.965%0.64947%0.472SS*.THydrogen-bonded Turntrans-63.9-31.8-175.223.1-32.4000113.1L38 A44L38-P42 VanDerWaalsContact O-CA 3.3Å; L38-P42 WeakPolarHBondContact O-CA 3.21Å; L38-P42 VanDerWaalsContact O-N 3.16Å; P42-A44 VanDerWaalsContact C-N 3.34Å
43D87.2Confident87.5Confident164 Ų16483.1 Ų83.188%0.87745%0.45SS*.THydrogen-bonded Turntrans-86-3.7-179.5-58.3-54.6000113.6F41F41-D43 VanDerWaalsContact C-N 3.27Å; F41-D43 PolarHBondContact O-N 2.92Å
44A84.9Confident87.8Confident35 Ų3588.3 Ų88.329%0.28947%0.469SS..SBendtrans-75.4146.6-177.900000112.1F41 P42 K46 L49F41-A44 HydrophobicContact CB-CB 3.71Å; F41-A44 WeakPolarHBondContact O-CB 3.49Å; F41-A44 PolarHBondContact O-N 3.34Å; P42-A44 VanDerWaalsContact C-N 3.34Å; A44-K46 PolarHBondContact O-N 3.49Å; A44-L49 HydrophobicContact CB-CD1 3.98Å; A44-L49 HydrophobicContact CB-CD2 4.18Å; A44-L49 HydrophobicContact CB-CG 4.03Å
45N89.7Confident88Confident105 Ų10587 Ų8756%0.56147%0.469SS*.  trans-64.6121.1175.9-174.8-15.6000110.3N47 F48 L49N45-N47 VanDerWaalsContact C-N 3.26Å; N45-N47 PolarHBondContact O-N 2.86Å; N45-N47 PolarHBondContact OD1-N 3.48Å; N45-N47 VanDerWaalsContact OD1-N 3.07Å; N45-F48 HydrophobicContact CB-CB 4.07Å; N45-F48 WeakPolarHBondContact O-CA 3.27Å; N45-F48 WeakPolarHBondContact O-CB 3.31Å; N45-F48 PolarHBondContact O-N 3.36Å; N45-L49 PolarHBondContact O-N 2.97Å
46K86.7Confident88.1Confident138 Ų13883.7 Ų83.760%0.645%0.453SS*.Hα-helixtrans-53.3-42.4179.7-62.5-174.6-178.4177.70112.4L38 A44 F48 L49 V50L38-K46 HydrophobicContact CD2-CD 4.26Å; L38-K46 HydrophobicContact CD2-CG 4.12Å; A44-K46 PolarHBondContact O-N 3.49Å; K46-F48 VanDerWaalsContact C-N 3.27Å; K46-F48 PolarHBondContact O-N 2.95Å; K46-L49 PolarHBondContact O-N 3.28Å; K46-V50 VanDerWaalsContact O-CG2 3.3Å; K46-V50 WeakPolarHBondContact O-CG2 3.12Å; K46-V50 PolarHBondContact O-N 3.48Å
47N88.8Confident88.2Confident126 Ų12678.6 Ų78.667%0.67444%0.435SS*.Hα-helixtrans-63.5-37.1179.5-69-19.7000111.5N45 F51N45-N47 VanDerWaalsContact C-N 3.26Å; N45-N47 PolarHBondContact O-N 2.86Å; N45-N47 PolarHBondContact OD1-N 3.48Å; N45-N47 VanDerWaalsContact OD1-N 3.07Å; N47-F51 VanDerWaalsContact O-CB 3.3Å; N47-F51 WeakPolarHBondContact O-CB 3.49Å; N47-F51 PolarHBondContact O-N 2.86Å
48F89.7Confident88.6Confident136 Ų13681.9 Ų81.960%0.59645%0.451SS*.Hα-helixtrans-68.3-42.9176.7-177.5-99.3000111.6N45 K46 F51 S52N45-F48 HydrophobicContact CB-CB 4.07Å; N45-F48 WeakPolarHBondContact O-CA 3.27Å; N45-F48 WeakPolarHBondContact O-CB 3.31Å; N45-F48 PolarHBondContact O-N 3.36Å; K46-F48 VanDerWaalsContact C-N 3.27Å; K46-F48 PolarHBondContact O-N 2.95Å; F48-F51 PolarHBondContact O-N 2.8Å; F48-S52 VanDerWaalsContact O-CB 3.25Å; F48-S52 WeakPolarHBondContact O-CB 3.4Å; F48-S52 PolarHBondContact O-N 3.19Å
49L88.7Confident88.8Confident9 Ų983.9 Ų83.95%0.04747%0.466CS..Hα-helixtrans-63-42.5176.3-69.6179.7000112.2L34 L37 L38 A44 N45 K46 S52 S53L34-L49 HydrophobicContact CD1-CB 3.96Å; L37-L49 HydrophobicContact CB-CD1 4.33Å; L37-L49 HydrophobicContact CB-CD2 4.25Å; L37-L49 HydrophobicContact CD2-CD2 4.06Å; L38-L49 HydrophobicContact CD1-CD1 3.65Å; L38-L49 HydrophobicContact CG-CD1 3.91Å; A44-L49 HydrophobicContact CB-CD1 3.98Å; A44-L49 HydrophobicContact CB-CD2 4.18Å; A44-L49 HydrophobicContact CB-CG 4.03Å; N45-L49 PolarHBondContact O-N 2.97Å; K46-L49 PolarHBondContact O-N 3.28Å; L49-S52 PolarHBondContact O-N 3.4Å; L49-S53 WeakPolarHBondContact O-CB 3.39Å; L49-S53 PolarHBondContact O-N 2.91Å; L49-S53 PolarHBondContact O-OG 3.29Å
50V87.9Confident89Confident50 Ų5083.1 Ų83.130%0.30345%0.45SS..Hα-helixtrans-60-51.3174.4172.70000110.1L34 K46 S52 S53 Y54L34-V50 HydrophobicContact CD1-CB 4.49Å; L34-V50 HydrophobicContact CD1-CG2 3.58Å; L34-V50 HydrophobicContact CD2-CG2 3.68Å; L34-V50 HydrophobicContact CG-CG2 4.29Å; K46-V50 VanDerWaalsContact O-CG2 3.3Å; K46-V50 WeakPolarHBondContact O-CG2 3.12Å; K46-V50 PolarHBondContact O-N 3.48Å; V50-S52 VanDerWaalsContact C-N 3.34Å; V50-S52 PolarHBondContact O-N 3.38Å; V50-S53 PolarHBondContact O-N 3.49Å; V50-S53 VanDerWaalsContact O-N 3.15Å; V50-Y54 HydrophobicContact CG1-CD2 3.71Å; V50-Y54 HydrophobicContact CG1-CE2 3.57Å; V50-Y54 VanDerWaalsContact O-CD2 3.26Å; V50-Y54 WeakPolarHBondContact O-CD2 3.32Å; V50-Y54 PolarHBondContact O-N 2.88Å
51F89.9Confident89.2Confident156 Ų15683 Ų8368%0.68444%0.443SS*.Hα-helixtrans-59.9-43.9179.9-172.2-95.2000112.2N47 F48 S53 Y54 G55N47-F51 VanDerWaalsContact O-CB 3.3Å; N47-F51 WeakPolarHBondContact O-CB 3.49Å; N47-F51 PolarHBondContact O-N 2.86Å; F48-F51 PolarHBondContact O-N 2.8Å; F51-S53 VanDerWaalsContact C-N 3.33Å; F51-S53 PolarHBondContact O-N 2.94Å; F51-Y54 PolarHBondContact O-N 3.34Å; F51-G55 PolarHBondContact O-N 3.15Å
52S89.1Confident89.5Confident57 Ų5781.4 Ų81.440%0.39944%0.442SS..Hα-helixtrans-59.2-42.8175.1165.20000112.1F48 L49 V50 G55 G56F48-S52 VanDerWaalsContact O-CB 3.25Å; F48-S52 WeakPolarHBondContact O-CB 3.4Å; F48-S52 PolarHBondContact O-N 3.19Å; L49-S52 PolarHBondContact O-N 3.4Å; V50-S52 VanDerWaalsContact C-N 3.34Å; V50-S52 PolarHBondContact O-N 3.38Å; S52-G55 WeakPolarHBondContact O-CA 3.33Å; S52-G55 PolarHBondContact O-N 3.22Å; S52-G56 PolarHBondContact O-N 3.28Å
53S89.6Confident90.1Very high3 Ų380.1 Ų80.12%0.02143%0.432CS..Hα-helixtrans-65.7-45.7-179.5-54.10000111Y24 L28 L37 L49 V50 F51 G55 G56 A57Y24-S53 WeakPolarHBondContact CE1-O 3.41Å; Y24-S53 PolarHBondContact OH-O 2.71Å; L28-S53 VanDerWaalsContact CD1-C 3.5Å; L28-S53 VanDerWaalsContact CD1-CB 3.44Å; L37-S53 WeakPolarHBondContact CD1-OG 3.23Å; L49-S53 WeakPolarHBondContact O-CB 3.39Å; L49-S53 PolarHBondContact O-N 2.91Å; L49-S53 PolarHBondContact O-OG 3.29Å; V50-S53 PolarHBondContact O-N 3.49Å; V50-S53 VanDerWaalsContact O-N 3.15Å; F51-S53 VanDerWaalsContact C-N 3.33Å; F51-S53 PolarHBondContact O-N 2.94Å; S53-G55 VanDerWaalsContact C-N 3.3Å; S53-G55 PolarHBondContact O-N 3.32Å; S53-G56 PolarHBondContact O-N 2.9Å; S53-A57 PolarHBondContact O-N 3.45Å; S53-A57 VanDerWaalsContact O-N 3.1Å
54Y89.9Confident90.3Very high132 Ų13273.8 Ų73.852%0.51840%0.398SS..Hα-helixtrans-62.9-37.3172.6-77.3-71000112.2L28 V50 F51 G56 A57 I58L28-Y54 HydrophobicContact CD2-CD1 3.87Å; L28-Y54 HydrophobicContact CD2-CD2 4.45Å; L28-Y54 HydrophobicContact CD2-CE1 3.35Å; L28-Y54 HydrophobicContact CD2-CE2 4.01Å; L28-Y54 HydrophobicContact CD2-CG 4.39Å; L28-Y54 VanDerWaalsContact CD2-CZ 3.42Å; V50-Y54 HydrophobicContact CG1-CD2 3.71Å; V50-Y54 HydrophobicContact CG1-CE2 3.57Å; V50-Y54 VanDerWaalsContact O-CD2 3.26Å; V50-Y54 WeakPolarHBondContact O-CD2 3.32Å; V50-Y54 PolarHBondContact O-N 2.88Å; F51-Y54 PolarHBondContact O-N 3.34Å; Y54-G56 VanDerWaalsContact C-N 3.33Å; Y54-G56 PolarHBondContact O-N 3.12Å; Y54-A57 WeakPolarHBondContact O-CB 3.5Å; Y54-A57 PolarHBondContact O-N 3.41Å; Y54-I58 WeakPolarHBondContact O-CG1 3.45Å; Y54-I58 PolarHBondContact O-N 2.62Å
55G90.6Very high90.7Very high27 Ų2779 Ų7928%0.27841%0.41SS..Hα-helixtrans-57.7-44.1172.400000112.3F51 S52 S53 A57 I58 V59F51-G55 PolarHBondContact O-N 3.15Å; S52-G55 WeakPolarHBondContact O-CA 3.33Å; S52-G55 PolarHBondContact O-N 3.22Å; S53-G55 VanDerWaalsContact C-N 3.3Å; S53-G55 PolarHBondContact O-N 3.32Å; G55-A57 PolarHBondContact O-N 2.87Å; G55-I58 PolarHBondContact O-N 2.87Å; G55-V59 WeakPolarHBondContact O-CG2 3.41Å; G55-V59 PolarHBondContact O-N 3Å
56G89.5Confident91Very high25 Ų2578.2 Ų78.226%0.25841%0.405SS..Hα-helixtrans-59.8-43.1174.100000112.9S52 S53 Y54 I58 V59 L60S52-G56 PolarHBondContact O-N 3.28Å; S53-G56 PolarHBondContact O-N 2.9Å; Y54-G56 VanDerWaalsContact C-N 3.33Å; Y54-G56 PolarHBondContact O-N 3.12Å; G56-I58 VanDerWaalsContact C-N 3.34Å; G56-I58 PolarHBondContact O-N 3.29Å; G56-V59 PolarHBondContact O-N 2.91Å; G56-L60 WeakPolarHBondContact O-CG 3.46Å; G56-L60 PolarHBondContact O-N 3.07Å
57A90.1Very high91.2Very high20 Ų2072.5 Ų72.517%0.16538%0.384CS..Hα-helixtrans-61.2-42175.600000112.1Y24 S53 Y54 G55 L60 N61Y24-A57 HydrophobicContact CD1-CB 3.77Å; Y24-A57 HydrophobicContact CE1-CB 3.87Å; S53-A57 PolarHBondContact O-N 3.45Å; S53-A57 VanDerWaalsContact O-N 3.1Å; Y54-A57 WeakPolarHBondContact O-CB 3.5Å; Y54-A57 PolarHBondContact O-N 3.41Å; G55-A57 PolarHBondContact O-N 2.87Å; A57-L60 PolarHBondContact O-N 2.92Å; A57-N61 WeakPolarHBondContact O-CB 3.3Å; A57-N61 PolarHBondContact O-N 3.36Å
58I92.6Very high91.4Very high111 Ų11167.7 Ų67.757%0.56936%0.358SS*.Hα-helixtrans-63-46.3176.9-67.3166000110.5Y54 G55 G56 L60 N61 V62Y54-I58 WeakPolarHBondContact O-CG1 3.45Å; Y54-I58 PolarHBondContact O-N 2.62Å; G55-I58 PolarHBondContact O-N 2.87Å; G56-I58 VanDerWaalsContact C-N 3.34Å; G56-I58 PolarHBondContact O-N 3.29Å; I58-L60 PolarHBondContact O-N 3.22Å; I58-N61 WeakPolarHBondContact O-CB 3.4Å; I58-N61 PolarHBondContact O-N 3.31Å; I58-V62 HydrophobicContact CG2-CG2 4.34Å; I58-V62 WeakPolarHBondContact O-CG2 3.41Å; I58-V62 PolarHBondContact O-N 2.99Å
59V93.5Very high91.6Very high93 Ų9364 Ų6456%0.56435%0.347SS*.Hα-helixtrans-59.9-46.2179.1171.50000111.1G55 G56 N61 V62 V63G55-V59 WeakPolarHBondContact O-CG2 3.41Å; G55-V59 PolarHBondContact O-N 3Å; G56-V59 PolarHBondContact O-N 2.91Å; V59-N61 VanDerWaalsContact C-N 3.29Å; V59-N61 PolarHBondContact O-N 3.2Å; V59-V62 PolarHBondContact O-N 3.48Å; V59-V63 WeakPolarHBondContact O-CG2 3.39Å; V59-V63 PolarHBondContact O-N 3.42Å
60L92.4Very high91.8Very high64 Ų6466.4 Ų66.434%0.33536%0.362SS..Hα-helixtrans-59.5-41.4176.6-74.4173.6000112T21 Y24 G56 A57 I58 V63 M64T21-L60 HydrophobicContact CG2-CB 4.44Å; Y24-L60 HydrophobicContact CD1-CD1 4.44Å; Y24-L60 HydrophobicContact CD2-CD1 4.14Å; Y24-L60 HydrophobicContact CG-CD1 3.96Å; G56-L60 WeakPolarHBondContact O-CG 3.46Å; G56-L60 PolarHBondContact O-N 3.07Å; A57-L60 PolarHBondContact O-N 2.92Å; I58-L60 PolarHBondContact O-N 3.22Å; L60-V63 PolarHBondContact O-N 2.96Å; L60-M64 PolarHBondContact O-N 2.81Å
61N93.2Very high91.9Very high84 Ų8464 Ų6445%0.44935%0.347SS..Hα-helixtrans-65.5-42.4178.1-155.9-49.2000111.9T21 A57 I58 V59 V63 M64 W65T21-N61 HydrophobicContact CG2-CB 3.91Å; A57-N61 WeakPolarHBondContact O-CB 3.3Å; A57-N61 PolarHBondContact O-N 3.36Å; I58-N61 WeakPolarHBondContact O-CB 3.4Å; I58-N61 PolarHBondContact O-N 3.31Å; V59-N61 VanDerWaalsContact C-N 3.29Å; V59-N61 PolarHBondContact O-N 3.2Å; N61-V63 PolarHBondContact O-N 3.23Å; N61-M64 WeakPolarHBondContact O-CB 3.31Å; N61-M64 PolarHBondContact O-N 2.84Å; N61-W65 WeakPolarHBondContact O-CB 3.34Å; N61-W65 PolarHBondContact O-N 3.16Å
62V94.4Very high92Very high74 Ų7458.8 Ų58.845%0.44833%0.326SS..Hα-helixtrans-61.3-44.4175.1171.40000111.1I58 V59 M64 W65 L66I58-V62 HydrophobicContact CG2-CG2 4.34Å; I58-V62 WeakPolarHBondContact O-CG2 3.41Å; I58-V62 PolarHBondContact O-N 2.99Å; V59-V62 PolarHBondContact O-N 3.48Å; V62-M64 PolarHBondContact O-N 3.02Å; V62-W65 PolarHBondContact O-N 3.05Å; V62-L66 HydrophobicContact CG1-CD1 3.93Å; V62-L66 HydrophobicContact CG1-CG 4.3Å; V62-L66 WeakPolarHBondContact O-CG 3.14Å; V62-L66 PolarHBondContact O-N 3.39Å
63V92.9Very high92Very high73 Ų7360.3 Ų60.344%0.44234%0.337SS..Hα-helixtrans-61.5-45.3177.4171.60000111.2V59 L60 N61 W65 L66 A67V59-V63 WeakPolarHBondContact O-CG2 3.39Å; V59-V63 PolarHBondContact O-N 3.42Å; L60-V63 PolarHBondContact O-N 2.96Å; N61-V63 PolarHBondContact O-N 3.23Å; V63-W65 VanDerWaalsContact C-N 3.32Å; V63-W65 PolarHBondContact O-N 2.93Å; V63-L66 PolarHBondContact O-N 2.86Å; V63-A67 WeakPolarHBondContact O-CB 3.36Å; V63-A67 PolarHBondContact O-N 2.87Å
64M92.6Very high91.9Very high32 Ų3262.7 Ų62.716%0.15835%0.349CS..Hα-helixtrans-56.5-47.5174.9-179.6-140.188.600111.4S14 C17 A18 L60 N61 V62 A67 L68S14-M64 WeakPolarHBondContact O-CG 3.43Å; S14-M64 PolarHBondContact OG-O 2.82Å; C17-M64 HydrophobicContact CB-CB 3.96Å; C17-M64 HydrophobicContact CB-CG 4.26Å; A18-M64 HydrophobicContact CB-CG 3.68Å; A18-M64 HydrophobicContact CB-SD 3.38Å; A18-M64 WeakPolarHBondContact CB-SD 3.3Å; L60-M64 PolarHBondContact O-N 2.81Å; N61-M64 WeakPolarHBondContact O-CB 3.31Å; N61-M64 PolarHBondContact O-N 2.84Å; V62-M64 PolarHBondContact O-N 3.02Å; M64-A67 PolarHBondContact O-N 3.21Å; M64-L68 PolarHBondContact O-N 3.01Å
65W93.6Very high91.7Very high144 Ų14456.9 Ų56.955%0.54533%0.328SS..Hα-helixtrans-65.1-45.1-177.9-175.284.5000112N61 V62 V63 A67 L68 V69N61-W65 WeakPolarHBondContact O-CB 3.34Å; N61-W65 PolarHBondContact O-N 3.16Å; V62-W65 PolarHBondContact O-N 3.05Å; V63-W65 VanDerWaalsContact C-N 3.32Å; V63-W65 PolarHBondContact O-N 2.93Å; W65-A67 VanDerWaalsContact C-N 3.32Å; W65-A67 PolarHBondContact O-N 3.4Å; W65-L68 PolarHBondContact O-N 3.41Å; W65-L68 VanDerWaalsContact O-N 3.14Å; W65-V69 HydrophobicContact CD2-CG2 3.81Å; W65-V69 HydrophobicContact CE3-CG2 4.07Å; W65-V69 HydrophobicContact CG-CG2 4.47Å; W65-V69 HydrophobicContact CH2-CG2 3.88Å; W65-V69 HydrophobicContact CZ2-CG2 3.6Å; W65-V69 HydrophobicContact CZ3-CG2 4.1Å; W65-V69 WeakPolarHBondContact O-CG2 3.43Å; W65-V69 PolarHBondContact O-N 3.36Å
66L94.4Very high91.2Very high88 Ų8862.9 Ų62.946%0.46135%0.349SS..Hα-helixtrans-60.9-42176.5-71.2173.7000111.7V62 V63 L68 V69 T70V62-L66 HydrophobicContact CG1-CD1 3.93Å; V62-L66 HydrophobicContact CG1-CG 4.3Å; V62-L66 WeakPolarHBondContact O-CG 3.14Å; V62-L66 PolarHBondContact O-N 3.39Å; V63-L66 PolarHBondContact O-N 2.86Å; L66-L68 VanDerWaalsContact C-N 3.33Å; L66-L68 PolarHBondContact O-N 3.33Å; L66-V69 PolarHBondContact O-N 3.08Å; L66-T70 VanDerWaalsContact O-CB 3.31Å; L66-T70 WeakPolarHBondContact O-CB 3.42Å; L66-T70 PolarHBondContact O-N 3.39Å; L66-T70 PolarHBondContact O-OG1 3.48Å
67A91.7Very high91.1Very high19 Ų1964 Ų6416%0.15735%0.347CS..Hα-helixtrans-63.1-40175.400000111.6V63 M64 W65 A71V63-A67 WeakPolarHBondContact O-CB 3.36Å; V63-A67 PolarHBondContact O-N 2.87Å; M64-A67 PolarHBondContact O-N 3.21Å; W65-A67 VanDerWaalsContact C-N 3.32Å; W65-A67 PolarHBondContact O-N 3.4Å; A67-A71 WeakPolarHBondContact O-CB 3.49Å; A67-A71 PolarHBondContact O-N 2.9Å
68L93.5Very high91.1Very high24 Ų2466 Ų6613%0.12636%0.359CS..Hα-helixtrans-66.1-48.9176.9-176.155.9000111.8S14 M64 W65 L66 T70 A71 L72 N85S14-L68 WeakPolarHBondContact OG-CB 3.39Å; S14-L68 PolarHBondContact OG-N 3.2Å; M64-L68 PolarHBondContact O-N 3.01Å; W65-L68 PolarHBondContact O-N 3.41Å; W65-L68 VanDerWaalsContact O-N 3.14Å; L66-L68 VanDerWaalsContact C-N 3.33Å; L66-L68 PolarHBondContact O-N 3.33Å; L68-T70 VanDerWaalsContact C-N 3.25Å; L68-T70 PolarHBondContact O-N 3.27Å; L68-A71 WeakPolarHBondContact O-CA 3.48Å; L68-A71 WeakPolarHBondContact O-CB 3.23Å; L68-A71 PolarHBondContact O-N 2.86Å; L68-L72 HydrophobicContact CD1-CD1 4.38Å; L68-L72 HydrophobicContact CD1-CG 4.26Å; L68-L72 HydrophobicContact CG-CD1 4.09Å; L68-L72 HydrophobicContact CG-CG 4.41Å; L68-L72 VanDerWaalsContact O-CG 3.31Å; L68-L72 WeakPolarHBondContact O-CG 3.41Å; L68-L72 PolarHBondContact O-N 2.8Å; L68-N85 HydrophobicContact CD1-CB 3.84Å
69V94Very high91Very high59 Ų5965.3 Ų65.336%0.35836%0.36SS..Hα-helixtrans-59.3-41.8179171.40000110.6W65 L66 A71 L72 S73W65-V69 HydrophobicContact CD2-CG2 3.81Å; W65-V69 HydrophobicContact CE3-CG2 4.07Å; W65-V69 HydrophobicContact CG-CG2 4.47Å; W65-V69 HydrophobicContact CH2-CG2 3.88Å; W65-V69 HydrophobicContact CZ2-CG2 3.6Å; W65-V69 HydrophobicContact CZ3-CG2 4.1Å; W65-V69 WeakPolarHBondContact O-CG2 3.43Å; W65-V69 PolarHBondContact O-N 3.36Å; L66-V69 PolarHBondContact O-N 3.08Å; V69-A71 VanDerWaalsContact C-N 3.34Å; V69-L72 PolarHBondContact O-N 3.27Å; V69-S73 PolarHBondContact O-N 2.97Å; V69-S73 PolarHBondContact O-OG 3.39Å
70T91.6Very high90.8Very high59 Ų5961 Ų6136%0.36233%0.334SS..Hα-helixtrans-66.1-37.5176-53.10000111.4L10 L66 L68 S73 I74L10-T70 HydrophobicContact CD2-CG2 3.43Å; L10-T70 VanDerWaalsContact CD2-CG2 3.43Å; L66-T70 VanDerWaalsContact O-CB 3.31Å; L66-T70 WeakPolarHBondContact O-CB 3.42Å; L66-T70 PolarHBondContact O-N 3.39Å; L66-T70 PolarHBondContact O-OG1 3.48Å; L68-T70 VanDerWaalsContact C-N 3.25Å; L68-T70 PolarHBondContact O-N 3.27Å; T70-S73 PolarHBondContact O-OG 2.95Å; T70-S73 VanDerWaalsContact O-OG 3.07Å; T70-I74 HydrophobicContact CG2-CD1 3.62Å; T70-I74 HydrophobicContact CG2-CG1 4.45Å; T70-I74 WeakPolarHBondContact O-CB 3.35Å; T70-I74 WeakPolarHBondContact O-CD1 3.39Å; T70-I74 VanDerWaalsContact O-CG1 3.23Å; T70-I74 WeakPolarHBondContact O-CG1 3.34Å; T70-I74 PolarHBondContact O-N 2.92Å
71A90.6Very high90.8Very high0 Ų057.9 Ų57.90%032%0.318CS..Hα-helixtrans-63.9-42.9174.600000111.1L10 A11 A67 L68 V69 S75L10-A71 HydrophobicContact CB-CB 3.96Å; L10-A71 HydrophobicContact CD2-CB 4.31Å; A11-A71 HydrophobicContact CB-CB 4.1Å; A67-A71 WeakPolarHBondContact O-CB 3.49Å; A67-A71 PolarHBondContact O-N 2.9Å; L68-A71 WeakPolarHBondContact O-CA 3.48Å; L68-A71 WeakPolarHBondContact O-CB 3.23Å; L68-A71 PolarHBondContact O-N 2.86Å; V69-A71 VanDerWaalsContact C-N 3.34Å; A71-S75 WeakPolarHBondContact O-CB 3.49Å; A71-S75 PolarHBondContact O-N 3.06Å; A71-S75 PolarHBondContact O-OG 3.14Å
72L91.9Very high90.8Very high46 Ų4657.9 Ų57.924%0.24132%0.317CS..Hα-helixtrans-68.2-36.4-179.5-67.1171.9000112.8L68 V69 S78 A81 L82L68-L72 HydrophobicContact CD1-CD1 4.38Å; L68-L72 HydrophobicContact CD1-CG 4.26Å; L68-L72 HydrophobicContact CG-CD1 4.09Å; L68-L72 HydrophobicContact CG-CG 4.41Å; L68-L72 VanDerWaalsContact O-CG 3.31Å; L68-L72 WeakPolarHBondContact O-CG 3.41Å; L68-L72 PolarHBondContact O-N 2.8Å; V69-L72 PolarHBondContact O-N 3.27Å; L72-S78 VanDerWaalsContact CD2-O 3.31Å; L72-S78 WeakPolarHBondContact CD2-O 3.1Å; L72-A81 HydrophobicContact CD2-CB 4.31Å; L72-L82 HydrophobicContact CD1-CD1 4.37Å; L72-L82 HydrophobicContact CD2-CB 4.17Å; L72-L82 HydrophobicContact CD2-CD1 4.25Å
73S89.5Confident90.8Very high90 Ų9055.4 Ų55.463%0.62931%0.305SS*.Hα-helixtrans-74.2-31.1-179.867.10000113.1V69 T70V69-S73 PolarHBondContact O-N 2.97Å; V69-S73 PolarHBondContact O-OG 3.39Å; T70-S73 PolarHBondContact O-OG 2.95Å; T70-S73 VanDerWaalsContact O-OG 3.07Å
74I87.9Confident90.8Very high52 Ų5252.8 Ų52.827%0.26729%0.289SS..Hα-helixtrans-89.5-26.2-178.1-63.4175.3000111.5S3 T70S3-I74 WeakPolarHBondContact O-CG2 3.44Å; S3-I74 WeakPolarHBondContact OG-CG2 3.29Å; T70-I74 HydrophobicContact CG2-CD1 3.62Å; T70-I74 HydrophobicContact CG2-CG1 4.45Å; T70-I74 WeakPolarHBondContact O-CB 3.35Å; T70-I74 WeakPolarHBondContact O-CD1 3.39Å; T70-I74 VanDerWaalsContact O-CG1 3.23Å; T70-I74 WeakPolarHBondContact O-CG1 3.34Å; T70-I74 PolarHBondContact O-N 2.92Å
75S85.2Confident90.9Very high11 Ų1151.8 Ų51.88%0.07728%0.284CS..  trans-78.8133.7-177-63.30000112.3G7 A71 K77 A81G7-S75 VanDerWaalsContact CA-OG 3.26Å; G7-S75 WeakPolarHBondContact CA-OG 3.35Å; A71-S75 WeakPolarHBondContact O-CB 3.49Å; A71-S75 PolarHBondContact O-N 3.06Å; A71-S75 PolarHBondContact O-OG 3.14Å; S75-K77 VanDerWaalsContact C-N 3.28Å; S75-K77 PolarHBondContact O-N 2.93Å; S75-A81 WeakPolarHBondContact OG-CB 3.42Å
76Q80.9Confident91Very high153 Ų15347.4 Ų47.472%0.71527%0.273SS*.SBendtrans-65.6-31.7176.8-158.3178.4-11.100112.7N4N4-Q76 PolarHBondContact ND2-OE1 3.48Å
77K85.9Confident91Very high49 Ų4945.1 Ų45.121%0.21326%0.261CS..  trans-118.598.1173-57.7-148.6-155.493.50110.5S75 V79 A80 A81 L123 V124 E126S75-K77 VanDerWaalsContact C-N 3.28Å; S75-K77 PolarHBondContact O-N 2.93Å; K77-V79 PolarHBondContact O-N 3.38Å; K77-A80 HydrophobicContact CB-CB 3.87Å; K77-A80 PolarHBondContact O-N 3.35Å; K77-A80 VanDerWaalsContact O-N 3.15Å; K77-A81 PolarHBondContact O-N 3.03Å; K77-A81 VanDerWaalsContact O-N 3.12Å; K77-L123 PolarHBondContact NZ-O 3.15Å; K77-V124 PolarHBondContact NZ-O 3.04Å; K77-E126 WeakPolarHBondContact CE-O 3.3Å; K77-E126 PolarHBondContact NZ-O 3.23Å
78S89.8Confident91.2Very high61 Ų6144.7 Ų44.743%0.42726%0.257SS..Hα-helixtrans-59-36.6-180-460000112.1L72 A81 L82L72-S78 VanDerWaalsContact CD2-O 3.31Å; L72-S78 WeakPolarHBondContact CD2-O 3.1Å; S78-A81 PolarHBondContact O-N 2.71Å; S78-L82 WeakPolarHBondContact O-CB 3.43Å; S78-L82 PolarHBondContact O-N 2.97Å
79V90.7Very high91.3Very high97 Ų9745 Ų4559%0.58826%0.259SS*.Hα-helixtrans-62-44.8176.8179.60000111.5K77 A81 L82 A83 L123K77-V79 PolarHBondContact O-N 3.38Å; V79-A81 PolarHBondContact O-N 2.87Å; V79-L82 PolarHBondContact O-N 3.49Å; V79-A83 WeakPolarHBondContact O-CB 3.33Å; V79-A83 PolarHBondContact O-N 3.38Å; V79-L123 HydrophobicContact CG1-CD1 4.19Å; V79-L123 HydrophobicContact CG1-CD2 4.22Å
80A90.9Very high91.4Very high1 Ų147 Ų471%0.00826%0.263CS..Hα-helixtrans-66.4-38.717900000111.6Y8 K77 T84 L123 V124Y8-A80 HydrophobicContact CE1-CB 3.86Å; K77-A80 HydrophobicContact CB-CB 3.87Å; K77-A80 PolarHBondContact O-N 3.35Å; K77-A80 VanDerWaalsContact O-N 3.15Å; A80-T84 WeakPolarHBondContact O-CB 3.35Å; A80-T84 PolarHBondContact O-N 3.05Å; A80-T84 PolarHBondContact O-OG1 3.34Å; A80-L123 HydrophobicContact CB-CB 4.21Å; A80-V124 HydrophobicContact CB-CG2 3.96Å
81A92Very high91.6Very high0 Ų046.1 Ų46.10%026%0.262CS..Hα-helixtrans-64.9-44.9174.700000112.1A11 L72 S75 K77 S78 V79 A83 T84 N85A11-A81 HydrophobicContact CB-CB 4.42Å; A11-A81 WeakPolarHBondContact CB-O 3.34Å; L72-A81 HydrophobicContact CD2-CB 4.31Å; S75-A81 WeakPolarHBondContact OG-CB 3.42Å; K77-A81 PolarHBondContact O-N 3.03Å; K77-A81 VanDerWaalsContact O-N 3.12Å; S78-A81 PolarHBondContact O-N 2.71Å; V79-A81 PolarHBondContact O-N 2.87Å; A81-A83 PolarHBondContact O-N 2.66Å; A81-T84 PolarHBondContact O-N 3.38Å; A81-N85 WeakPolarHBondContact O-CB 3.48Å; A81-N85 PolarHBondContact O-N 2.85Å
82L93.6Very high91.8Very high83 Ų8349.6 Ų49.644%0.43528%0.277SS..Hα-helixtrans-62.5-42.9177.1-165.7111.2000111.8L72 S78 V79 N85 T86L72-L82 HydrophobicContact CD1-CD1 4.37Å; L72-L82 HydrophobicContact CD2-CB 4.17Å; L72-L82 HydrophobicContact CD2-CD1 4.25Å; S78-L82 WeakPolarHBondContact O-CB 3.43Å; S78-L82 PolarHBondContact O-N 2.97Å; V79-L82 PolarHBondContact O-N 3.49Å; L82-N85 WeakPolarHBondContact O-CB 3.38Å; L82-N85 PolarHBondContact O-N 3.41Å; L82-T86 PolarHBondContact O-N 2.91Å; L82-T86 PolarHBondContact O-OG1 2.91Å; L82-T86 VanDerWaalsContact O-OG1 3.05Å
83A93.7Very high91.9Very high23 Ų2349.2 Ų49.219%0.1928%0.278CS..Hα-helixtrans-65.2-42.8177.100000110.9V79 A81 N85 T86 L87 I120 L123V79-A83 WeakPolarHBondContact O-CB 3.33Å; V79-A83 PolarHBondContact O-N 3.38Å; A81-A83 PolarHBondContact O-N 2.66Å; A83-N85 VanDerWaalsContact C-N 3.31Å; A83-N85 PolarHBondContact O-N 2.94Å; A83-T86 PolarHBondContact O-N 2.87Å; A83-L87 WeakPolarHBondContact O-CB 3.38Å; A83-L87 PolarHBondContact O-N 3.32Å; A83-I120 VanDerWaalsContact C-CD1 3.42Å; A83-I120 HydrophobicContact CB-CD1 3.79Å; A83-I120 HydrophobicContact CB-CG1 3.62Å; A83-I120 WeakPolarHBondContact O-CD1 3.44Å; A83-L123 HydrophobicContact CB-CD1 4.27Å
84T93.5Very high92.2Very high18 Ų1845.7 Ų45.711%0.1126%0.255CS..Hα-helixtrans-59.2-42.1174.7-57.30000111.7A11 V12 A80 A81 L87 S88A11-T84 HydrophobicContact CB-CG2 4.25Å; V12-T84 HydrophobicContact CG2-CG2 3.7Å; A80-T84 WeakPolarHBondContact O-CB 3.35Å; A80-T84 PolarHBondContact O-N 3.05Å; A80-T84 PolarHBondContact O-OG1 3.34Å; A81-T84 PolarHBondContact O-N 3.38Å; T84-L87 PolarHBondContact O-N 2.97Å; T84-S88 VanDerWaalsContact O-CB 3.3Å; T84-S88 WeakPolarHBondContact O-CB 3.31Å; T84-S88 PolarHBondContact O-N 3.49Å
85N94.9Very high92.5Very high11 Ų1145.4 Ų45.46%0.05926%0.26CS..Hα-helixtrans-60.8-46.5175.2174.7-99.6000112A11 S14 G15 L68 A81 L82 A83 S88 N89A11-N85 HydrophobicContact CB-CB 4.23Å; A11-N85 WeakPolarHBondContact O-CA 3.38Å; A11-N85 PolarHBondContact O-ND2 3.41Å; S14-N85 WeakPolarHBondContact CB-ND2 3.38Å; S14-N85 PolarHBondContact OG-ND2 3.45Å; G15-N85 WeakPolarHBondContact CA-ND2 3.48Å; G15-N85 WeakPolarHBondContact CA-O 3.15Å; G15-N85 PolarHBondContact N-ND2 3.27Å; L68-N85 HydrophobicContact CD1-CB 3.84Å; A81-N85 WeakPolarHBondContact O-CB 3.48Å; A81-N85 PolarHBondContact O-N 2.85Å; L82-N85 WeakPolarHBondContact O-CB 3.38Å; L82-N85 PolarHBondContact O-N 3.41Å; A83-N85 VanDerWaalsContact C-N 3.31Å; A83-N85 PolarHBondContact O-N 2.94Å; N85-S88 WeakPolarHBondContact O-CB 3.44Å; N85-S88 PolarHBondContact O-N 3.47Å; N85-N89 WeakPolarHBondContact O-CB 3.36Å; N85-N89 PolarHBondContact O-N 3.41Å
86T94.5Very high92.9Very high52 Ų5246.9 Ų46.932%0.31927%0.265SS..Hα-helixtrans-65.8-42.5179.9-60.20000111.2L82 A83 S88 N89 F90L82-T86 PolarHBondContact O-N 2.91Å; L82-T86 PolarHBondContact O-OG1 2.91Å; L82-T86 VanDerWaalsContact O-OG1 3.05Å; A83-T86 PolarHBondContact O-N 2.87Å; T86-S88 PolarHBondContact O-N 2.93Å; T86-N89 PolarHBondContact O-N 3.07Å; T86-F90 HydrophobicContact CG2-CD2 4.18Å; T86-F90 HydrophobicContact CG2-CE1 4.24Å; T86-F90 HydrophobicContact CG2-CE2 3.72Å; T86-F90 HydrophobicContact CG2-CZ 3.76Å; T86-F90 WeakPolarHBondContact O-CG 3.42Å; T86-F90 PolarHBondContact O-N 3.43Å
87L95.2Very high93.4Very high39 Ų3939.8 Ų39.820%0.20423%0.233CC..Hα-helixtrans-58.4-48.8174.7-166.285.6000111.3A83 T84 F90 A91 M113 L116 I120A83-L87 WeakPolarHBondContact O-CB 3.38Å; A83-L87 PolarHBondContact O-N 3.32Å; T84-L87 PolarHBondContact O-N 2.97Å; L87-F90 PolarHBondContact O-N 3.44Å; L87-A91 WeakPolarHBondContact O-CB 3.5Å; L87-A91 PolarHBondContact O-N 3.42Å; L87-M113 HydrophobicContact CD1-CE 2.95Å; L87-M113 HydrophobicContact CG-CE 3.49Å; L87-M113 VanDerWaalsContact CG-CE 3.49Å; L87-L116 HydrophobicContact CD1-CB 3.54Å; L87-I120 HydrophobicContact CB-CD1 3.51Å; L87-I120 HydrophobicContact CD1-CD1 3.7Å; L87-I120 HydrophobicContact CD2-CD1 3.97Å; L87-I120 HydrophobicContact CG-CD1 3.93Å
88S95.5Very high93.7Very high10 Ų1044.5 Ų44.57%0.0725%0.249CC..Hα-helixtrans-58.7-47.6176.7178.20000110.8V12 T84 N85 T86 F90 A91 F92V12-S88 PolarHBondContact O-OG 3.36Å; T84-S88 VanDerWaalsContact O-CB 3.3Å; T84-S88 WeakPolarHBondContact O-CB 3.31Å; T84-S88 PolarHBondContact O-N 3.49Å; N85-S88 WeakPolarHBondContact O-CB 3.44Å; N85-S88 PolarHBondContact O-N 3.47Å; T86-S88 PolarHBondContact O-N 2.93Å; S88-F90 PolarHBondContact O-N 2.96Å; S88-A91 PolarHBondContact O-N 2.94Å; S88-F92 WeakPolarHBondContact O-CD2 3.31Å; S88-F92 PolarHBondContact O-N 3.35Å; S88-F92 VanDerWaalsContact OG-CD2 3.32Å; S88-F92 WeakPolarHBondContact OG-CD2 3.44Å; S88-F92 VanDerWaalsContact OG-CE2 3.23Å; S88-F92 WeakPolarHBondContact OG-CE2 3.36Å
89N96Very high93.9Very high32 Ų3246 Ų4617%0.17126%0.259CS..Hα-helixtrans-57.9-47.6177.2-17613.6000112.1G15 A18 A19 N85 T86 S93G15-N89 WeakPolarHBondContact O-CA 3.28Å; A18-N89 HydrophobicContact CB-CB 4.08Å; A19-N89 WeakPolarHBondContact CA-OD1 3.26Å; A19-N89 PolarHBondContact N-OD1 3.25Å; N85-N89 WeakPolarHBondContact O-CB 3.36Å; N85-N89 PolarHBondContact O-N 3.41Å; T86-N89 PolarHBondContact O-N 3.07Å; N89-S93 WeakPolarHBondContact O-CB 3.36Å; N89-S93 PolarHBondContact O-N 3.49Å; N89-S93 PolarHBondContact O-OG 3.2Å; N89-S93 PolarHBondContact OD1-OG 3.45Å
90F94.9Very high93.9Very high100 Ų10045.3 Ų45.344%0.43925%0.251SS..Hα-helixtrans-64-44.2178.1-69.8-13.3000112.6T86 L87 S88 A94 L116T86-F90 HydrophobicContact CG2-CD2 4.18Å; T86-F90 HydrophobicContact CG2-CE1 4.24Å; T86-F90 HydrophobicContact CG2-CE2 3.72Å; T86-F90 HydrophobicContact CG2-CZ 3.76Å; T86-F90 WeakPolarHBondContact O-CG 3.42Å; T86-F90 PolarHBondContact O-N 3.43Å; L87-F90 PolarHBondContact O-N 3.44Å; S88-F90 PolarHBondContact O-N 2.96Å; F90-A94 WeakPolarHBondContact O-CB 3.2Å; F90-A94 PolarHBondContact O-N 2.9Å; F90-L116 HydrophobicContact CD2-CD1 3.92Å; F90-L116 HydrophobicContact CE2-CD1 4.23Å
91A95.5Very high93.8Very high41 Ų4147.6 Ų47.634%0.33926%0.261SS..Hα-helixtrans-61.6-48.1179.100000111.6L87 S88 A94 A95 M113L87-A91 WeakPolarHBondContact O-CB 3.5Å; L87-A91 PolarHBondContact O-N 3.42Å; S88-A91 PolarHBondContact O-N 2.94Å; A91-A94 PolarHBondContact O-N 3.2Å; A91-A95 WeakPolarHBondContact O-CB 3.35Å; A91-A95 PolarHBondContact O-N 3.06Å; A91-M113 HydrophobicContact CB-SD 4.47Å
92F95.9Very high93.6Very high72 Ų7254.3 Ų54.332%0.31629%0.292SS..Hα-helixtrans-71.1-39.7179.2-72.6-60.2000112.7V12 F16 A19 S88 A94 A95 F96V12-F92 HydrophobicContact CG1-CE2 4.41Å; F16-F92 HydrophobicContact CB-CD2 3.76Å; F16-F92 HydrophobicContact CB-CE2 3.78Å; F16-F92 HydrophobicContact CB-CG 4.45Å; F16-F92 HydrophobicContact CB-CZ 4.46Å; F16-F92 HydrophobicContact CD2-CB 4.42Å; F16-F92 AromaticContact CD2-CD1 3.76Å; F16-F92 HydrophobicContact CD2-CD1 3.76Å; F16-F92 AromaticContact CD2-CD2 3.88Å; F16-F92 HydrophobicContact CD2-CD2 3.88Å; F16-F92 AromaticContact CD2-CE1 3.89Å; F16-F92 HydrophobicContact CD2-CE1 3.89Å; F16-F92 HydrophobicContact CD2-CE2 4.02Å; F16-F92 AromaticContact CD2-CG 3.77Å; F16-F92 HydrophobicContact CD2-CG 3.77Å; F16-F92 HydrophobicContact CD2-CZ 4.02Å; F16-F92 HydrophobicContact CE2-CD1 4.31Å; F16-F92 HydrophobicContact CE2-CE1 4.45Å; F16-F92 HydrophobicContact CG-CD2 4.34Å; F16-F92 HydrophobicContact CG-CE2 4.38Å; A19-F92 HydrophobicContact CB-CB 3.49Å; A19-F92 VanDerWaalsContact CB-CB 3.49Å; S88-F92 WeakPolarHBondContact O-CD2 3.31Å; S88-F92 PolarHBondContact O-N 3.35Å; S88-F92 VanDerWaalsContact OG-CD2 3.32Å; S88-F92 WeakPolarHBondContact OG-CD2 3.44Å; S88-F92 VanDerWaalsContact OG-CE2 3.23Å; S88-F92 WeakPolarHBondContact OG-CE2 3.36Å; F92-A94 VanDerWaalsContact C-N 3.29Å; F92-A94 PolarHBondContact O-N 3.01Å; F92-A95 WeakPolarHBondContact O-CB 3.43Å; F92-A95 PolarHBondContact O-N 3.38Å; F92-F96 HydrophobicContact CB-CE2 4.35Å; F92-F96 VanDerWaalsContact O-CD2 3.27Å; F92-F96 WeakPolarHBondContact O-CD2 3.45Å; F92-F96 VanDerWaalsContact O-CG 3.31Å; F92-F96 WeakPolarHBondContact O-CG 3.49Å; F92-F96 PolarHBondContact O-N 2.88Å
93S94.3Very high93.4Very high38 Ų3854.8 Ų54.827%0.26629%0.292SS..Hα-helixtrans-61.1-41.4175.6-68.60000111.1A19 N89 F96 G97A19-S93 WeakPolarHBondContact CA-OG 3.33Å; A19-S93 WeakPolarHBondContact CB-OG 3.4Å; N89-S93 WeakPolarHBondContact O-CB 3.36Å; N89-S93 PolarHBondContact O-N 3.49Å; N89-S93 PolarHBondContact O-OG 3.2Å; N89-S93 PolarHBondContact OD1-OG 3.45Å; S93-F96 PolarHBondContact O-N 2.92Å; S93-G97 PolarHBondContact O-N 3.34Å
94A94.6Very high93.2Very high17 Ų1762.6 Ų62.614%0.1433%0.325CS..Hα-helixtrans-67.3-40.2175.800000111.9F90 A91 F92 F96 G97 R98 L105 W109F90-A94 WeakPolarHBondContact O-CB 3.2Å; F90-A94 PolarHBondContact O-N 2.9Å; A91-A94 PolarHBondContact O-N 3.2Å; F92-A94 VanDerWaalsContact C-N 3.29Å; F92-A94 PolarHBondContact O-N 3.01Å; A94-F96 VanDerWaalsContact C-N 3.34Å; A94-F96 PolarHBondContact O-N 3.05Å; A94-G97 PolarHBondContact O-N 3.49Å; A94-R98 WeakPolarHBondContact O-CB 3.49Å; A94-R98 PolarHBondContact O-N 3.2Å; A94-L105 HydrophobicContact CB-CD2 3.87Å; A94-W109 HydrophobicContact CB-CH2 4.04Å; A94-W109 HydrophobicContact CB-CZ2 3.24Å
95A94.6Very high93Very high45 Ų4564.1 Ų64.137%0.37233%0.332SS..Hα-helixtrans-60-43.7173.500000111.7A91 F92 R98 C99A91-A95 WeakPolarHBondContact O-CB 3.35Å; A91-A95 PolarHBondContact O-N 3.06Å; F92-A95 WeakPolarHBondContact O-CB 3.43Å; F92-A95 PolarHBondContact O-N 3.38Å; A95-R98 PolarHBondContact O-N 3.38Å; A95-C99 VanDerWaalsContact O-CB 3.3Å; A95-C99 WeakPolarHBondContact O-CB 3.35Å; A95-C99 PolarHBondContact O-N 3.46Å; A95-C99 PolarHBondContact O-SG 3.05Å
96F93.5Very high92.8Very high43 Ų4367.7 Ų67.719%0.18935%0.354CS..Hα-helixtrans-66.8-42.2174.9-63.4-35.6000112.5F16 A19 L23 F92 S93 A94 R98 C99 I100F16-F96 HydrophobicContact CD2-CZ 4.45Å; F16-F96 AromaticContact CE2-CZ 3.77Å; F16-F96 HydrophobicContact CE2-CZ 3.77Å; F16-F96 HydrophobicContact CZ-CZ 4.36Å; A19-F96 HydrophobicContact CB-CD2 3.98Å; A19-F96 HydrophobicContact CB-CE2 3.79Å; L23-F96 HydrophobicContact CB-CD2 4.25Å; L23-F96 HydrophobicContact CD1-CB 4.41Å; L23-F96 HydrophobicContact CD2-CB 4.23Å; L23-F96 HydrophobicContact CD2-CD1 4.26Å; L23-F96 HydrophobicContact CD2-CD2 4.04Å; L23-F96 HydrophobicContact CD2-CE2 4.46Å; L23-F96 HydrophobicContact CD2-CG 3.94Å; F92-F96 HydrophobicContact CB-CE2 4.35Å; F92-F96 VanDerWaalsContact O-CD2 3.27Å; F92-F96 WeakPolarHBondContact O-CD2 3.45Å; F92-F96 VanDerWaalsContact O-CG 3.31Å; F92-F96 WeakPolarHBondContact O-CG 3.49Å; F92-F96 PolarHBondContact O-N 2.88Å; S93-F96 PolarHBondContact O-N 2.92Å; A94-F96 VanDerWaalsContact C-N 3.34Å; A94-F96 PolarHBondContact O-N 3.05Å; F96-R98 VanDerWaalsContact C-N 3.33Å; F96-R98 PolarHBondContact O-N 2.99Å; F96-C99 PolarHBondContact O-N 3.47Å; F96-I100 HydrophobicContact CB-CD1 4.37Å; F96-I100 VanDerWaalsContact O-CB 3.29Å; F96-I100 WeakPolarHBondContact O-CB 3.46Å; F96-I100 PolarHBondContact O-N 3.2Å
97G92.7Very high92.6Very high4 Ų468 Ų684%0.04137%0.368CS..Hα-helixtrans-50.5-52.6172.100000111.9S93 A94 F101 Q102 E103S93-G97 PolarHBondContact O-N 3.34Å; A94-G97 PolarHBondContact O-N 3.49Å; G97-F101 CarbonylContact O-C 3.21Å; G97-F101 WeakPolarHBondContact O-CA 3.44Å; G97-F101 WeakPolarHBondContact O-CB 3.44Å; G97-F101 PolarHBondContact O-N 3.07Å; G97-Q102 PolarHBondContact O-N 3.47Å; G97-Q102 VanDerWaalsContact O-N 3.16Å; G97-E103 PolarHBondContact O-N 2.89Å
98R92.2Very high92.5Very high147 Ų14772.5 Ų72.556%0.55539%0.392SS*.Hα-helixtrans-66.5-45-179.7-149.3-73.3-155.9167.96.9113.2A94 A95 F96 Q102 L105A94-R98 WeakPolarHBondContact O-CB 3.49Å; A94-R98 PolarHBondContact O-N 3.2Å; A95-R98 PolarHBondContact O-N 3.38Å; F96-R98 VanDerWaalsContact C-N 3.33Å; F96-R98 PolarHBondContact O-N 2.99Å; R98-Q102 VanDerWaalsContact O-CA 3.31Å; R98-Q102 WeakPolarHBondContact O-CA 3.38Å; R98-Q102 PolarHBondContact O-N 3.24Å; R98-L105 HydrophobicContact CB-CD1 3.72Å; R98-L105 HydrophobicContact CG-CD1 3.17Å
99C92.7Very high92.4Very high92 Ų9276 Ų7662%0.62240%0.404SS*.Hα-helixtrans-76.9-40.5-174.2-72.20000112.7A95 F96 Q102A95-C99 VanDerWaalsContact O-CB 3.3Å; A95-C99 WeakPolarHBondContact O-CB 3.35Å; A95-C99 PolarHBondContact O-N 3.46Å; A95-C99 PolarHBondContact O-SG 3.05Å; F96-C99 PolarHBondContact O-N 3.47Å; C99-Q102 PolarHBondContact O-NE2 3.1Å
100I90.5Very high92.3Very high83 Ų8379.7 Ų79.743%0.42642%0.419SS..Hα-helixtrans-95.8-44.6-171.4-61173.6000111L23 L27 F96L23-I100 HydrophobicContact CD1-CD1 3.55Å; L23-I100 HydrophobicContact CD1-CG2 4.49Å; L23-I100 HydrophobicContact CD2-CD1 3.44Å; L23-I100 VanDerWaalsContact CD2-CD1 3.44Å; L23-I100 HydrophobicContact CG-CD1 4.11Å; L27-I100 HydrophobicContact CD2-CG2 4.4Å; F96-I100 HydrophobicContact CB-CD1 4.37Å; F96-I100 VanDerWaalsContact O-CB 3.29Å; F96-I100 WeakPolarHBondContact O-CB 3.46Å; F96-I100 PolarHBondContact O-N 3.2Å
101F89.6Confident92.3Very high50 Ų5080.6 Ų80.622%0.21943%0.428CS..SBendtrans-99.7-1.6-175.9-56-81.2000113.2L23 K26 L27 G97 E103L23-F101 HydrophobicContact CD1-CE2 3.56Å; L23-F101 HydrophobicContact CD1-CZ 3.95Å; K26-F101 HydrophobicContact CB-CZ 4.16Å; K26-F101 HydrophobicContact CD-CD2 4.42Å; K26-F101 HydrophobicContact CD-CE1 4.02Å; K26-F101 HydrophobicContact CD-CE2 3.8Å; K26-F101 HydrophobicContact CD-CZ 3.58Å; K26-F101 HydrophobicContact CG-CE1 4.13Å; K26-F101 HydrophobicContact CG-CE2 4.43Å; K26-F101 HydrophobicContact CG-CZ 3.75Å; L27-F101 HydrophobicContact CD2-CE1 4.12Å; L27-F101 HydrophobicContact CD2-CZ 3.85Å; L27-F101 HydrophobicContact CG-CZ 4.26Å; G97-F101 CarbonylContact O-C 3.21Å; G97-F101 WeakPolarHBondContact O-CA 3.44Å; G97-F101 WeakPolarHBondContact O-CB 3.44Å; G97-F101 PolarHBondContact O-N 3.07Å; F101-E103 HydrophobicContact CB-CG 3.97Å; F101-E103 PolarHBondContact O-N 3.26Å
102Q88.8Confident92.3Very high141 Ų14180.3 Ų80.366%0.65943%0.428SS*.  trans54.831.8-176.8-59.7-68.4-45.800112.6G97 R98 C99G97-Q102 PolarHBondContact O-N 3.47Å; G97-Q102 VanDerWaalsContact O-N 3.16Å; R98-Q102 VanDerWaalsContact O-CA 3.31Å; R98-Q102 WeakPolarHBondContact O-CA 3.38Å; R98-Q102 PolarHBondContact O-N 3.24Å; C99-Q102 PolarHBondContact O-NE2 3.1Å
103E89.1Confident92.2Very high92 Ų9278 Ų7843%0.4342%0.419SS..PPolyproline II helixtrans-68.4133176.6-71.5173.5178.800110.6K26 G97 F101K26-E103 IonicContact NZ-OE1 2.66Å; K26-E103 PolarHBondContact NZ-OE1 3.18Å; G97-E103 PolarHBondContact O-N 2.89Å; F101-E103 HydrophobicContact CB-CG 3.97Å; F101-E103 PolarHBondContact O-N 3.26Å
104E89.1Confident92.3Very high188 Ų18881.4 Ų81.488%0.87943%0.433SS*.PPolyproline II helixtrans-78127.2176.9-66.4-167.3162.900111.2
105L88.9Confident92.3Very high50 Ų5084.8 Ų84.826%0.26246%0.455SS..PPolyproline II helixtrans-86.5116.3170-61.9103.9000109.8A94 R98 W109 F110A94-L105 HydrophobicContact CB-CD2 3.87Å; R98-L105 HydrophobicContact CB-CD1 3.72Å; R98-L105 HydrophobicContact CG-CD1 3.17Å; L105-W109 HydrophobicContact CB-CE3 4.35Å; L105-W109 HydrophobicContact CD2-CD2 3.37Å; L105-W109 HydrophobicContact CD2-CE3 3.31Å; L105-W109 HydrophobicContact CD2-CG 4.03Å; L105-W109 HydrophobicContact CD2-CH2 3.77Å; L105-W109 HydrophobicContact CD2-CZ2 3.81Å; L105-W109 HydrophobicContact CD2-CZ3 3.52Å; L105-W109 HydrophobicContact CG-CD2 4.46Å; L105-W109 HydrophobicContact CG-CE3 4.44Å; L105-F110 HydrophobicContact CB-CE2 3.85Å; L105-F110 HydrophobicContact CB-CZ 4.21Å
106T91.7Very high92.3Very high86 Ų8686.6 Ų86.653%0.52846%0.458SS..PPolyproline II helixtrans-70.1155.7176620000111.5N108 W109 F110T106-N108 PolarHBondContact O-N 2.98Å; T106-N108 VanDerWaalsContact O-N 3.16Å; T106-W109 VanDerWaalsContact O-CB 3.29Å; T106-W109 WeakPolarHBondContact O-CB 3.37Å; T106-W109 PolarHBondContact O-N 3.41Å; T106-W109 PolarHBondContact OG1-N 3.39Å; T106-F110 WeakPolarHBondContact O-CD2 3.41Å
107G90.4Very high92.3Very high59 Ų5986.2 Ų86.261%0.60846%0.461SS*.Hα-helixtrans-54.9-32.4172.100000113W109 F110 L111G107-W109 VanDerWaalsContact C-N 3.31Å; G107-W109 PolarHBondContact O-N 3.02Å; G107-F110 PolarHBondContact O-N 3.45Å; G107-L111 PolarHBondContact O-N 3.31Å; G107-L111 VanDerWaalsContact O-N 3.12Å
108N93.1Very high92.4Very high133 Ų13390.4 Ų90.471%0.71148%0.481SS*.Hα-helixtrans-64.8-33.7175.7-68.3-8.1000112.6T106 L111 G112T106-N108 PolarHBondContact O-N 2.98Å; T106-N108 VanDerWaalsContact O-N 3.16Å; N108-L111 PolarHBondContact O-N 3.36Å; N108-G112 PolarHBondContact O-N 3.02Å
109W93.2Very high92.5Very high82 Ų8285 Ų8531%0.31147%0.472SS..Hα-helixtrans-61.8-45.8174.7-179.392.1000110.9A94 L105 T106 G107 L111 G112 M113A94-W109 HydrophobicContact CB-CH2 4.04Å; A94-W109 HydrophobicContact CB-CZ2 3.24Å; L105-W109 HydrophobicContact CB-CE3 4.35Å; L105-W109 HydrophobicContact CD2-CD2 3.37Å; L105-W109 HydrophobicContact CD2-CE3 3.31Å; L105-W109 HydrophobicContact CD2-CG 4.03Å; L105-W109 HydrophobicContact CD2-CH2 3.77Å; L105-W109 HydrophobicContact CD2-CZ2 3.81Å; L105-W109 HydrophobicContact CD2-CZ3 3.52Å; L105-W109 HydrophobicContact CG-CD2 4.46Å; L105-W109 HydrophobicContact CG-CE3 4.44Å; T106-W109 VanDerWaalsContact O-CB 3.29Å; T106-W109 WeakPolarHBondContact O-CB 3.37Å; T106-W109 PolarHBondContact O-N 3.41Å; T106-W109 PolarHBondContact OG1-N 3.39Å; G107-W109 VanDerWaalsContact C-N 3.31Å; G107-W109 PolarHBondContact O-N 3.02Å; W109-L111 VanDerWaalsContact C-N 3.34Å; W109-L111 PolarHBondContact O-N 3.2Å; W109-G112 PolarHBondContact O-N 2.89Å; W109-M113 HydrophobicContact CE3-CB 4.42Å; W109-M113 HydrophobicContact CH2-CB 4.33Å; W109-M113 HydrophobicContact CH2-CG 3.92Å; W109-M113 HydrophobicContact CH2-SD 3.98Å; W109-M113 HydrophobicContact CZ2-CG 4.26Å; W109-M113 HydrophobicContact CZ2-SD 3.8Å; W109-M113 HydrophobicContact CZ3-CB 4.26Å; W109-M113 HydrophobicContact CZ3-CG 4.24Å; W109-M113 WeakPolarHBondContact O-CB 3.47Å; W109-M113 PolarHBondContact O-N 2.89Å
110F93.3Very high92.5Very high110 Ų11081.5 Ų81.548%0.48245%0.447SS..Hα-helixtrans-62.6-41.7177.8-70.3-80.2000111.9L105 T106 G107 G112 M113 L114L105-F110 HydrophobicContact CB-CE2 3.85Å; L105-F110 HydrophobicContact CB-CZ 4.21Å; T106-F110 WeakPolarHBondContact O-CD2 3.41Å; G107-F110 PolarHBondContact O-N 3.45Å; F110-G112 PolarHBondContact O-N 2.94Å; F110-M113 PolarHBondContact O-N 3.26Å; F110-L114 WeakPolarHBondContact O-CG 3.41Å; F110-L114 PolarHBondContact O-N 3.45Å
111L95.3Very high92.5Very high120 Ų12082.4 Ų82.463%0.62845%0.451SS*.Hα-helixtrans-61.9-44176.1-173.965000111.7G107 N108 W109 L114 C115G107-L111 PolarHBondContact O-N 3.31Å; G107-L111 VanDerWaalsContact O-N 3.12Å; N108-L111 PolarHBondContact O-N 3.36Å; W109-L111 VanDerWaalsContact C-N 3.34Å; W109-L111 PolarHBondContact O-N 3.2Å; L111-L114 PolarHBondContact O-N 3.36Å; L111-C115 WeakPolarHBondContact O-CB 3.45Å; L111-C115 PolarHBondContact O-N 2.8Å
112G95.6Very high92.6Very high34 Ų3487 Ų8735%0.35147%0.471SS..Hα-helixtrans-61.2-43.8174.500000112.3N108 W109 F110 L114 C115 L116N108-G112 PolarHBondContact O-N 3.02Å; W109-G112 PolarHBondContact O-N 2.89Å; F110-G112 PolarHBondContact O-N 2.94Å; G112-L114 VanDerWaalsContact C-N 3.35Å; G112-L114 PolarHBondContact O-N 2.7Å; G112-C115 PolarHBondContact O-N 2.98Å; G112-L116 WeakPolarHBondContact O-CG 3.18Å; G112-L116 PolarHBondContact O-N 3.39Å
113M94.1Very high92.7Very high25 Ų2582.8 Ų82.812%0.12345%0.453CS..Hα-helixtrans-62.6-40.9178.8-165.572.5-10000112.1L87 A91 W109 F110 L116 S117L87-M113 HydrophobicContact CD1-CE 2.95Å; L87-M113 HydrophobicContact CG-CE 3.49Å; L87-M113 VanDerWaalsContact CG-CE 3.49Å; A91-M113 HydrophobicContact CB-SD 4.47Å; W109-M113 HydrophobicContact CE3-CB 4.42Å; W109-M113 HydrophobicContact CH2-CB 4.33Å; W109-M113 HydrophobicContact CH2-CG 3.92Å; W109-M113 HydrophobicContact CH2-SD 3.98Å; W109-M113 HydrophobicContact CZ2-CG 4.26Å; W109-M113 HydrophobicContact CZ2-SD 3.8Å; W109-M113 HydrophobicContact CZ3-CB 4.26Å; W109-M113 HydrophobicContact CZ3-CG 4.24Å; W109-M113 WeakPolarHBondContact O-CB 3.47Å; W109-M113 PolarHBondContact O-N 2.89Å; F110-M113 PolarHBondContact O-N 3.26Å; M113-L116 HydrophobicContact CE-CB 4.33Å; M113-L116 HydrophobicContact CE-CD1 4.33Å; M113-S117 WeakPolarHBondContact O-CB 3.35Å; M113-S117 PolarHBondContact O-N 2.91Å; M113-S117 PolarHBondContact O-OG 2.87Å
114L94.9Very high92.5Very high108 Ų10880.9 Ų80.957%0.56545%0.447SS*.Hα-helixtrans-64-46.5174.4-75.1171.6000111.5F110 L111 G112 L116 S117 I118F110-L114 WeakPolarHBondContact O-CG 3.41Å; F110-L114 PolarHBondContact O-N 3.45Å; L111-L114 PolarHBondContact O-N 3.36Å; G112-L114 VanDerWaalsContact C-N 3.35Å; G112-L114 PolarHBondContact O-N 2.7Å; L114-L116 PolarHBondContact O-N 2.94Å; L114-S117 PolarHBondContact O-N 3.19Å; L114-I118 VanDerWaalsContact O-CG1 3.31Å; L114-I118 WeakPolarHBondContact O-CG1 3.3Å; L114-I118 PolarHBondContact O-N 3.5Å
115C95.4Very high92.3Very high89 Ų8976.3 Ų76.360%0.60144%0.435SS*.Hα-helixtrans-59.2-46.5178.3-171.20000111.8L111 G112 S117 I118 G119L111-C115 WeakPolarHBondContact O-CB 3.45Å; L111-C115 PolarHBondContact O-N 2.8Å; G112-C115 PolarHBondContact O-N 2.98Å; C115-S117 VanDerWaalsContact C-N 3.35Å; C115-S117 PolarHBondContact O-N 3.43Å; C115-I118 PolarHBondContact O-N 3.17Å; C115-G119 PolarHBondContact O-N 3.46Å
116L94.2Very high91.9Very high82 Ų8279.6 Ų79.643%0.42945%0.449SS..Hα-helixtrans-59.8-44.7175.1-73.1173000111.9L87 F90 G112 M113 L114 I118 G119 I120L87-L116 HydrophobicContact CD1-CB 3.54Å; F90-L116 HydrophobicContact CD2-CD1 3.92Å; F90-L116 HydrophobicContact CE2-CD1 4.23Å; G112-L116 WeakPolarHBondContact O-CG 3.18Å; G112-L116 PolarHBondContact O-N 3.39Å; M113-L116 HydrophobicContact CE-CB 4.33Å; M113-L116 HydrophobicContact CE-CD1 4.33Å; L114-L116 PolarHBondContact O-N 2.94Å; L116-I118 PolarHBondContact O-N 2.89Å; L116-G119 PolarHBondContact O-N 3.03Å; L116-I120 VanDerWaalsContact O-CG1 3.31Å; L116-I120 WeakPolarHBondContact O-CG1 3.36Å; L116-I120 PolarHBondContact O-N 3.41Å
117S94Very high90.6Very high36 Ų3687.9 Ų87.925%0.25248%0.478SS..Hα-helixtrans-61.7-44.3-179.7-57.90000111.5M113 L114 C115 I120 I121M113-S117 WeakPolarHBondContact O-CB 3.35Å; M113-S117 PolarHBondContact O-N 2.91Å; M113-S117 PolarHBondContact O-OG 2.87Å; L114-S117 PolarHBondContact O-N 3.19Å; C115-S117 VanDerWaalsContact C-N 3.35Å; C115-S117 PolarHBondContact O-N 3.43Å; S117-I120 PolarHBondContact O-N 3.45Å; S117-I121 WeakPolarHBondContact O-CD1 3.49Å; S117-I121 VanDerWaalsContact O-CG1 3.3Å; S117-I121 WeakPolarHBondContact O-CG1 3.3Å; S117-I121 PolarHBondContact O-N 3.42Å
118I94.9Very high90.6Very high91 Ų9189.4 Ų89.447%0.46747%0.472SS..Hα-helixtrans-62.4-46.5176.8-67.2164.9000110.9L114 C115 L116 I120 I121 F122L114-I118 VanDerWaalsContact O-CG1 3.31Å; L114-I118 WeakPolarHBondContact O-CG1 3.3Å; L114-I118 PolarHBondContact O-N 3.5Å; C115-I118 PolarHBondContact O-N 3.17Å; L116-I118 PolarHBondContact O-N 2.89Å; I118-I120 VanDerWaalsContact C-N 3.28Å; I118-I120 PolarHBondContact O-N 3.45Å; I118-I121 WeakPolarHBondContact O-CB 3.25Å; I118-I121 PolarHBondContact O-N 3.21Å; I118-F122 HydrophobicContact CG2-CD2 3.92Å; I118-F122 HydrophobicContact CG2-CE2 3.53Å; I118-F122 HydrophobicContact CG2-CZ 4.45Å; I118-F122 WeakPolarHBondContact O-CD2 3.35Å; I118-F122 PolarHBondContact O-N 2.85Å; I118-F122 VanDerWaalsContact O-N 3.09Å
119G94.1Very high90.4Very high34 Ų3487.1 Ų87.135%0.35146%0.459SS..Hα-helixtrans-58.7-39.8177.900000112.8C115 L116 F122 L123C115-G119 PolarHBondContact O-N 3.46Å; L116-G119 PolarHBondContact O-N 3.03Å; G119-F122 PolarHBondContact O-N 2.94Å; G119-L123 PolarHBondContact O-N 3.37Å; G119-L123 VanDerWaalsContact O-N 3.09Å
120I92Very high90.3Very high19 Ų1987.3 Ų87.310%0.09747%0.467CS..Hα-helixtrans-69.4-39.5177.4-67.3174.9000111.8A83 L87 L116 S117 I118 F122 L123 V124A83-I120 VanDerWaalsContact C-CD1 3.42Å; A83-I120 HydrophobicContact CB-CD1 3.79Å; A83-I120 HydrophobicContact CB-CG1 3.62Å; A83-I120 WeakPolarHBondContact O-CD1 3.44Å; L87-I120 HydrophobicContact CB-CD1 3.51Å; L87-I120 HydrophobicContact CD1-CD1 3.7Å; L87-I120 HydrophobicContact CD2-CD1 3.97Å; L87-I120 HydrophobicContact CG-CD1 3.93Å; L116-I120 VanDerWaalsContact O-CG1 3.31Å; L116-I120 WeakPolarHBondContact O-CG1 3.36Å; L116-I120 PolarHBondContact O-N 3.41Å; S117-I120 PolarHBondContact O-N 3.45Å; I118-I120 VanDerWaalsContact C-N 3.28Å; I118-I120 PolarHBondContact O-N 3.45Å; I120-F122 PolarHBondContact O-N 3.41Å; I120-L123 PolarHBondContact O-N 3.24Å; I120-L123 VanDerWaalsContact O-N 3.15Å; I120-V124 HydrophobicContact CG2-CG2 4.09Å; I120-V124 VanDerWaalsContact O-CG2 3.3Å; I120-V124 WeakPolarHBondContact O-CG2 3.26Å; I120-V124 PolarHBondContact O-N 3.32Å
121I91.1Very high90.1Very high101 Ų10186 Ų8652%0.51847%0.466SS..Hα-helixtrans-56.8-44.5174.4-70.1160.5000109.9S117 I118 L123 V124 C125S117-I121 WeakPolarHBondContact O-CD1 3.49Å; S117-I121 VanDerWaalsContact O-CG1 3.3Å; S117-I121 WeakPolarHBondContact O-CG1 3.3Å; S117-I121 PolarHBondContact O-N 3.42Å; I118-I121 WeakPolarHBondContact O-CB 3.25Å; I118-I121 PolarHBondContact O-N 3.21Å; I121-L123 PolarHBondContact O-N 3.33Å; I121-V124 PolarHBondContact O-N 3.19Å; I121-C125 VanDerWaalsContact O-CB 3.31Å; I121-C125 WeakPolarHBondContact O-CB 3.48Å; I121-C125 PolarHBondContact O-N 2.96Å; I121-C125 PolarHBondContact O-SG 2.98Å; I121-C125 VanDerWaalsContact O-SG 3.37Å
122F92.3Very high89.8Confident146 Ų14683.9 Ų83.964%0.6446%0.456SS*.Hα-helixtrans-60.6-45.6175.5-74.3-54000112.7I118 G119 I120 V124 C125 E126I118-F122 HydrophobicContact CG2-CD2 3.92Å; I118-F122 HydrophobicContact CG2-CE2 3.53Å; I118-F122 HydrophobicContact CG2-CZ 4.45Å; I118-F122 WeakPolarHBondContact O-CD2 3.35Å; I118-F122 PolarHBondContact O-N 2.85Å; I118-F122 VanDerWaalsContact O-N 3.09Å; G119-F122 PolarHBondContact O-N 2.94Å; I120-F122 PolarHBondContact O-N 3.41Å; F122-V124 VanDerWaalsContact C-N 3.33Å; F122-V124 PolarHBondContact O-N 3.21Å; F122-C125 PolarHBondContact O-N 2.81Å; F122-E126 PolarHBondContact O-N 3.07Å
123L89.2Confident89.4Confident54 Ų5487.2 Ų87.228%0.28346%0.463SS..Hα-helixtrans-61.6-39.6176.7-73.4168.4000112.8K77 V79 A80 A83 G119 I120 I121K77-L123 PolarHBondContact NZ-O 3.15Å; V79-L123 HydrophobicContact CG1-CD1 4.19Å; V79-L123 HydrophobicContact CG1-CD2 4.22Å; A80-L123 HydrophobicContact CB-CB 4.21Å; A83-L123 HydrophobicContact CB-CD1 4.27Å; G119-L123 PolarHBondContact O-N 3.37Å; G119-L123 VanDerWaalsContact O-N 3.09Å; I120-L123 PolarHBondContact O-N 3.24Å; I120-L123 VanDerWaalsContact O-N 3.15Å; I121-L123 PolarHBondContact O-N 3.33Å
124V84.8Confident89Confident51 Ų5191.6 Ų91.631%0.30949%0.488SS..Hα-helixtrans-68.1-40.9178.1172.80000110.5Y8 K77 A80 I120 I121 F122Y8-V124 HydrophobicContact CE1-CG2 3.86Å; Y8-V124 HydrophobicContact CE2-CG1 4.36Å; K77-V124 PolarHBondContact NZ-O 3.04Å; A80-V124 HydrophobicContact CB-CG2 3.96Å; I120-V124 HydrophobicContact CG2-CG2 4.09Å; I120-V124 VanDerWaalsContact O-CG2 3.3Å; I120-V124 WeakPolarHBondContact O-CG2 3.26Å; I120-V124 PolarHBondContact O-N 3.32Å; I121-V124 PolarHBondContact O-N 3.19Å; F122-V124 VanDerWaalsContact C-N 3.33Å; F122-V124 PolarHBondContact O-N 3.21Å
125C85.2Confident88.6Confident92 Ų9290.4 Ų90.462%0.62248%0.482SS*.Hα-helixtrans-81-15.1-177.4-71.60000115.2I121 F122I121-C125 VanDerWaalsContact O-CB 3.31Å; I121-C125 WeakPolarHBondContact O-CB 3.48Å; I121-C125 PolarHBondContact O-N 2.96Å; I121-C125 PolarHBondContact O-SG 2.98Å; I121-C125 VanDerWaalsContact O-SG 3.37Å; F122-C125 PolarHBondContact O-N 2.81Å
126E81.6Confident88Confident120 Ų12090.5 Ų90.556%0.56147%0.472SS*.  trans-52.7140.2173.5-171173.7-158.900110.5K77 F122K77-E126 WeakPolarHBondContact CE-O 3.3Å; K77-E126 PolarHBondContact NZ-O 3.23Å; F122-E126 PolarHBondContact O-N 3.07Å
127K63Low87.5Confident260 Ų26091.3 Ų91.3100%1.1348%0.475SS*.  trans-88.40-175.7-75.8-174.7178.8179.10111.9

Retrieved 127 of 127 residues in 230.4 ms (Link to these results)