G4VC43_SCHMA Loading...

LGG; LGG; Saposin containing protein; Saposin containing protein AlphaSync

AlphaFold DB , UniProt , Accession G4VC43, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 178 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
1M54.1Low56.4Low201 Ų201121.5 Ų121.599%0.9962%0.619SS**  0-50.50-90.9174.1166.900112.9G3 F4 F5M1-G3 VanDerWaalsContact C-N 3.35Å; M1-G3 PolarHBondContact O-N 3.4Å; M1-F4 PolarHBondContact O-N 2.94Å; M1-F4 VanDerWaalsContact O-N 3.14Å; M1-F5 PolarHBondContact O-N 3.39Å
2F53.7Low57.4Low181 Ų181119.7 Ų119.779%0.79461%0.609SS**Hα-helixtrans-53.1-41.4-179.7-79.6-87.8000115.5F4 F5 I6F2-F4 VanDerWaalsContact C-N 3.3Å; F2-F4 PolarHBondContact O-N 3.48Å; F2-F5 PolarHBondContact O-N 3.43Å; F2-I6 WeakPolarHBondContact O-CG1 3.42Å; F2-I6 PolarHBondContact O-N 2.89Å
3G51.4Low58.3Low46 Ų46115.8 Ų115.847%0.47460%0.595SS.*Hα-helixtrans-62.2-34179.100000114.2M1 L7M1-G3 VanDerWaalsContact C-N 3.35Å; M1-G3 PolarHBondContact O-N 3.4Å; G3-L7 WeakPolarHBondContact O-CB 3.42Å; G3-L7 WeakPolarHBondContact O-CD1 3.32Å; G3-L7 WeakPolarHBondContact O-CG 3.47Å; G3-L7 PolarHBondContact O-N 2.7Å; G3-L7 VanDerWaalsContact O-N 3.09Å
4F56.1Low59.1Low157 Ų157110.9 Ų110.969%0.68958%0.58SS**Hα-helixtrans-72.5-39.7179-157.4-92.1000111.4M1 F2 L7 T8M1-F4 PolarHBondContact O-N 2.94Å; M1-F4 VanDerWaalsContact O-N 3.14Å; F2-F4 VanDerWaalsContact C-N 3.3Å; F2-F4 PolarHBondContact O-N 3.48Å; F4-L7 PolarHBondContact O-N 3.22Å; F4-T8 HydrophobicContact CD1-CG2 4.03Å; F4-T8 HydrophobicContact CE1-CG2 3.94Å; F4-T8 WeakPolarHBondContact O-CG2 3.38Å; F4-T8 PolarHBondContact O-N 2.96Å; F4-T8 PolarHBondContact O-OG1 3.48Å
5F52.7Low59.8Low131 Ų131104.9 Ų104.958%0.57555%0.551SS**Hα-helixtrans-64.7-39.1174.6-84.2-86.6000112.6M1 F2 T8 I9M1-F5 PolarHBondContact O-N 3.39Å; F2-F5 PolarHBondContact O-N 3.43Å; F5-T8 WeakPolarHBondContact CA-OG1 3.24Å; F5-T8 PolarHBondContact O-OG1 2.96Å; F5-I9 WeakPolarHBondContact O-CB 3.38Å; F5-I9 WeakPolarHBondContact O-CD1 3.31Å; F5-I9 WeakPolarHBondContact O-CG1 3.49Å; F5-I9 PolarHBondContact O-N 3.19Å
6I59.6Low60.5Low112 Ų112104 Ų10457%0.57455%0.547SS*.Hα-helixtrans-66.6-43177.3-65.6166.1000110.4F2 I9 F10F2-I6 WeakPolarHBondContact O-CG1 3.42Å; F2-I6 PolarHBondContact O-N 2.89Å; I6-I9 PolarHBondContact O-N 2.95Å; I6-F10 WeakPolarHBondContact O-CB 3.2Å; I6-F10 PolarHBondContact O-N 3.39Å
7L51.7Low61.4Low117 Ų117104.2 Ų104.261%0.61355%0.548SS*.Hα-helixtrans-62-43.8176.5-82160.6000112.3G3 F4 F10 C11G3-L7 WeakPolarHBondContact O-CB 3.42Å; G3-L7 WeakPolarHBondContact O-CD1 3.32Å; G3-L7 WeakPolarHBondContact O-CG 3.47Å; G3-L7 PolarHBondContact O-N 2.7Å; G3-L7 VanDerWaalsContact O-N 3.09Å; F4-L7 PolarHBondContact O-N 3.22Å; L7-F10 PolarHBondContact O-N 3.17Å; L7-C11 PolarHBondContact O-N 2.86Å
8T56.3Low61.9Low53 Ų53100 Ų10033%0.32553%0.526SS..Hα-helixtrans-67.8-41.3178.5550000112.2F4 F5 F10 C11 I12F4-T8 HydrophobicContact CD1-CG2 4.03Å; F4-T8 HydrophobicContact CE1-CG2 3.94Å; F4-T8 WeakPolarHBondContact O-CG2 3.38Å; F4-T8 PolarHBondContact O-N 2.96Å; F4-T8 PolarHBondContact O-OG1 3.48Å; F5-T8 WeakPolarHBondContact CA-OG1 3.24Å; F5-T8 PolarHBondContact O-OG1 2.96Å; T8-F10 VanDerWaalsContact C-N 3.33Å; T8-F10 PolarHBondContact O-N 3.28Å; T8-C11 PolarHBondContact O-N 2.83Å; T8-I12 VanDerWaalsContact O-CG1 3.27Å; T8-I12 WeakPolarHBondContact O-CG1 3.38Å; T8-I12 PolarHBondContact O-N 3.42Å
9I62.2Low62.5Low101 Ų10198.4 Ų98.452%0.51852%0.515SS..Hα-helixtrans-61.8-42.4175.1-68.6165.7000110.8F5 I6 I12 T13F5-I9 WeakPolarHBondContact O-CB 3.38Å; F5-I9 WeakPolarHBondContact O-CD1 3.31Å; F5-I9 WeakPolarHBondContact O-CG1 3.49Å; F5-I9 PolarHBondContact O-N 3.19Å; I6-I9 PolarHBondContact O-N 2.95Å; I9-I12 PolarHBondContact O-N 2.96Å; I9-T13 WeakPolarHBondContact O-CB 3.34Å; I9-T13 PolarHBondContact O-N 3.35Å; I9-T13 PolarHBondContact O-OG1 3.49Å
10F61.4Low63.4Low150 Ų15097.7 Ų97.766%0.65851%0.512SS*.Hα-helixtrans-63.5-44.7177.5-169.4-96000111.7I6 L7 T8 T13 A14I6-F10 WeakPolarHBondContact O-CB 3.2Å; I6-F10 PolarHBondContact O-N 3.39Å; L7-F10 PolarHBondContact O-N 3.17Å; T8-F10 VanDerWaalsContact C-N 3.33Å; T8-F10 PolarHBondContact O-N 3.28Å; F10-T13 PolarHBondContact O-N 2.85Å; F10-A14 VanDerWaalsContact O-CB 3.3Å; F10-A14 WeakPolarHBondContact O-CB 3.22Å; F10-A14 PolarHBondContact O-N 3Å
11C61.4Low64.1Low88 Ų8894.3 Ų94.360%0.59550%0.498SS*.Hα-helixtrans-60-45.7174.4-87.80000112.7L7 T8 T13 A14 C15L7-C11 PolarHBondContact O-N 2.86Å; T8-C11 PolarHBondContact O-N 2.83Å; C11-T13 VanDerWaalsContact C-N 3.33Å; C11-T13 PolarHBondContact O-N 3.34Å; C11-A14 PolarHBondContact O-N 3.45Å; C11-C15 WeakPolarHBondContact O-CB 3.07Å; C11-C15 PolarHBondContact O-N 3.43Å
12I67.9Low65.1Low99 Ų9985.6 Ų85.651%0.50846%0.455SS..Hα-helixtrans-63.9-41.5178.9-66.3163.3000110.7T8 I9 C15 N16T8-I12 VanDerWaalsContact O-CG1 3.27Å; T8-I12 WeakPolarHBondContact O-CG1 3.38Å; T8-I12 PolarHBondContact O-N 3.42Å; I9-I12 PolarHBondContact O-N 2.96Å; I12-C15 WeakPolarHBondContact O-CB 3.43Å; I12-C15 PolarHBondContact O-N 3.36Å; I12-N16 PolarHBondContact O-N 3.3Å; I12-N16 PolarHBondContact O-ND2 2.82Å; I12-N16 PolarHBondContact O-OD1 2.74Å
13T70.1Confident66.4Low69 Ų6981.8 Ų81.842%0.42344%0.439SS..Hα-helixtrans-68.1-45.3-179.6-520000111.1I9 F10 C11 C15 N16 L17I9-T13 WeakPolarHBondContact O-CB 3.34Å; I9-T13 PolarHBondContact O-N 3.35Å; I9-T13 PolarHBondContact O-OG1 3.49Å; F10-T13 PolarHBondContact O-N 2.85Å; C11-T13 VanDerWaalsContact C-N 3.33Å; C11-T13 PolarHBondContact O-N 3.34Å; T13-C15 VanDerWaalsContact C-N 3.27Å; T13-C15 PolarHBondContact O-N 2.88Å; T13-N16 PolarHBondContact O-N 3Å; T13-L17 HydrophobicContact CG2-CD1 4.26Å; T13-L17 WeakPolarHBondContact O-CB 3.47Å; T13-L17 VanDerWaalsContact O-CG 3.27Å; T13-L17 WeakPolarHBondContact O-CG 3.37Å; T13-L17 PolarHBondContact O-N 3.01Å
14A68.8Low68Low47 Ų4784 Ų8439%0.38844%0.436SS..Hα-helixtrans-60.5-39.817500000111.6F10 C11 L17 L18F10-A14 VanDerWaalsContact O-CB 3.3Å; F10-A14 WeakPolarHBondContact O-CB 3.22Å; F10-A14 PolarHBondContact O-N 3Å; C11-A14 PolarHBondContact O-N 3.45Å; A14-L17 PolarHBondContact O-N 3.19Å; A14-L18 PolarHBondContact O-N 2.77Å
15C69.8Low69.4Low22 Ų2279 Ų7915%0.14942%0.421CS..Hα-helixtrans-60.2-53.5175.1176.10000112.5C11 I12 T13 L17 L18 E19 C90C11-C15 WeakPolarHBondContact O-CB 3.07Å; C11-C15 PolarHBondContact O-N 3.43Å; I12-C15 WeakPolarHBondContact O-CB 3.43Å; I12-C15 PolarHBondContact O-N 3.36Å; T13-C15 VanDerWaalsContact C-N 3.27Å; T13-C15 PolarHBondContact O-N 2.88Å; C15-L17 VanDerWaalsContact C-N 3.26Å; C15-L17 PolarHBondContact O-N 2.05Å; C15-L18 WeakPolarHBondContact O-CB 3.32Å; C15-L18 PolarHBondContact O-N 2.84Å; C15-E19 PolarHBondContact O-N 3.38Å; C15-C90 WeakPolarHBondContact CA-SG 3.43Å; C15-C90 HydrophobicContact CB-CB 4.08Å; C15-C90 WeakPolarHBondContact CB-SG 3.25Å; C15-C90 WeakPolarHBondContact SG-CB 3.31Å; C15-C90 CovalentContact SG-SG 1.99Å; C15-C90 PolarHBondContact SG-SG 3.17Å
16N71.2Confident70.9Confident90 Ų9074.5 Ų74.548%0.48140%0.402SS..Hα-helixtrans-61.7-36-179.8-66.9-14.8000112I12 T13 L20I12-N16 PolarHBondContact O-N 3.3Å; I12-N16 PolarHBondContact O-ND2 2.82Å; I12-N16 PolarHBondContact O-OD1 2.74Å; T13-N16 PolarHBondContact O-N 3Å; N16-L20 WeakPolarHBondContact O-CB 3.3Å; N16-L20 PolarHBondContact O-N 2.71Å
17L75.4Confident72.4Confident108 Ų10875.1 Ų75.157%0.56540%0.403SS*.Hα-helixtrans-65.6-39.2174.9-73171.5000112T13 A14 C15 L20 A21T13-L17 HydrophobicContact CG2-CD1 4.26Å; T13-L17 WeakPolarHBondContact O-CB 3.47Å; T13-L17 VanDerWaalsContact O-CG 3.27Å; T13-L17 WeakPolarHBondContact O-CG 3.37Å; T13-L17 PolarHBondContact O-N 3.01Å; A14-L17 PolarHBondContact O-N 3.19Å; C15-L17 VanDerWaalsContact C-N 3.26Å; C15-L17 PolarHBondContact O-N 2.05Å; L17-L20 PolarHBondContact O-N 2.82Å; L17-A21 VanDerWaalsContact O-CB 3.32Å; L17-A21 WeakPolarHBondContact O-CB 3.1Å; L17-A21 PolarHBondContact O-N 3.14Å
18L71.4Confident74.2Confident28 Ų2870.3 Ų70.315%0.14738%0.377CS..Hα-helixtrans-66.5-43.8176.3-177.462.3000111.5A14 C15 L20 A21 Q22 L87 F154A14-L18 PolarHBondContact O-N 2.77Å; C15-L18 WeakPolarHBondContact O-CB 3.32Å; C15-L18 PolarHBondContact O-N 2.84Å; L18-L20 VanDerWaalsContact C-N 3.33Å; L18-L20 PolarHBondContact O-N 3.24Å; L18-A21 PolarHBondContact O-N 2.96Å; L18-Q22 VanDerWaalsContact O-CG 3.27Å; L18-Q22 WeakPolarHBondContact O-CG 3.47Å; L18-Q22 PolarHBondContact O-N 3.33Å; L18-L87 HydrophobicContact CD1-CD1 4.3Å; L18-L87 HydrophobicContact CD2-CB 4.15Å; L18-L87 HydrophobicContact CD2-CD1 4.22Å; L18-F154 HydrophobicContact CD1-CE1 4.35Å; L18-F154 HydrophobicContact CD1-CZ 3.65Å
19E73Confident75.8Confident70 Ų7069 Ų6933%0.32737%0.368SS..Hα-helixtrans-59.7-45.2175.2-68.2-163.4142.800111.6C15 A21 Q22 E23C15-E19 PolarHBondContact O-N 3.38Å; E19-A21 VanDerWaalsContact C-N 3.34Å; E19-A21 PolarHBondContact O-N 3.35Å; E19-Q22 PolarHBondContact O-N 2.97Å; E19-E23 WeakPolarHBondContact O-CG 2.93Å; E19-E23 PolarHBondContact O-N 3.02Å
20L79.2Confident77.2Confident84 Ų8468.4 Ų68.444%0.4436%0.362SS..Hα-helixtrans-63.3-41176.7-178.365.4000111.9N16 L17 L18 E23 K24N16-L20 WeakPolarHBondContact O-CB 3.3Å; N16-L20 PolarHBondContact O-N 2.71Å; L17-L20 PolarHBondContact O-N 2.82Å; L18-L20 VanDerWaalsContact C-N 3.33Å; L18-L20 PolarHBondContact O-N 3.24Å; L20-E23 PolarHBondContact O-N 2.91Å; L20-K24 HydrophobicContact CD1-CD 4.43Å; L20-K24 HydrophobicContact CG-CD 4.26Å; L20-K24 WeakPolarHBondContact O-CB 3.42Å; L20-K24 WeakPolarHBondContact O-CG 3.3Å; L20-K24 PolarHBondContact O-N 2.72Å
21A78.4Confident78.8Confident27 Ų2765 Ų6522%0.22335%0.348CS..Hα-helixtrans-61.9-46.4176.400000110.7L17 L18 E19 E23 K24 S25L17-A21 VanDerWaalsContact O-CB 3.32Å; L17-A21 WeakPolarHBondContact O-CB 3.1Å; L17-A21 PolarHBondContact O-N 3.14Å; L18-A21 PolarHBondContact O-N 2.96Å; E19-A21 VanDerWaalsContact C-N 3.34Å; E19-A21 PolarHBondContact O-N 3.35Å; A21-E23 PolarHBondContact O-N 3.33Å; A21-K24 PolarHBondContact O-N 3.47Å; A21-S25 WeakPolarHBondContact O-CB 3.27Å; A21-S25 PolarHBondContact O-N 2.83Å; A21-S25 PolarHBondContact O-OG 3.15Å
22Q75.6Confident80.3Confident18 Ų1866 Ų668%0.08434%0.344CS..Hα-helixtrans-61.1-45.1177.4-71.8175.1-12.700112.5L18 E19 S25 L26 L83L18-Q22 VanDerWaalsContact O-CG 3.27Å; L18-Q22 WeakPolarHBondContact O-CG 3.47Å; L18-Q22 PolarHBondContact O-N 3.33Å; E19-Q22 PolarHBondContact O-N 2.97Å; Q22-S25 PolarHBondContact O-N 3.39Å; Q22-L26 WeakPolarHBondContact O-CB 3.24Å; Q22-L26 PolarHBondContact O-N 3.48Å; Q22-L83 HydrophobicContact CB-CD1 4.48Å; Q22-L83 HydrophobicContact CG-CB 3.92Å; Q22-L83 HydrophobicContact CG-CD1 4.1Å; Q22-L83 PolarHBondContact NE2-O 2.66Å
23E80.9Confident81.5Confident100 Ų10067.1 Ų67.147%0.46735%0.347SS..Hα-helixtrans-63-43.2178.7-74.6176.2-175.300111.3E19 L20 A21 L26 Q27 K84E19-E23 WeakPolarHBondContact O-CG 2.93Å; E19-E23 PolarHBondContact O-N 3.02Å; L20-E23 PolarHBondContact O-N 2.91Å; A21-E23 PolarHBondContact O-N 3.33Å; E23-L26 PolarHBondContact O-N 2.91Å; E23-Q27 WeakPolarHBondContact O-CB 3.46Å; E23-Q27 PolarHBondContact O-N 2.89Å; E23-K84 IonicContact OE1-NZ 3.22Å; E23-K84 PolarHBondContact OE1-NZ 2.95Å
24K85.6Confident82.6Confident93 Ų9364.7 Ų64.740%0.40433%0.33SS..Hα-helixtrans-64.4-43174.1-76.4177.1173.1-740112.3L20 A21 L26 Q27 I28L20-K24 HydrophobicContact CD1-CD 4.43Å; L20-K24 HydrophobicContact CG-CD 4.26Å; L20-K24 WeakPolarHBondContact O-CB 3.42Å; L20-K24 WeakPolarHBondContact O-CG 3.3Å; L20-K24 PolarHBondContact O-N 2.72Å; A21-K24 PolarHBondContact O-N 3.47Å; K24-L26 VanDerWaalsContact C-N 3.33Å; K24-L26 PolarHBondContact O-N 3.45Å; K24-Q27 WeakPolarHBondContact O-CB 3.36Å; K24-Q27 PolarHBondContact O-N 3.48Å; K24-I28 VanDerWaalsContact O-CG1 3.31Å; K24-I28 WeakPolarHBondContact O-CG1 3.38Å; K24-I28 PolarHBondContact O-N 3.47Å
25S83.9Confident83.8Confident53 Ų5363 Ų6337%0.37132%0.315SS..Hα-helixtrans-59.5-45.5175.9-64.90000111.1A21 Q22 Q27 I28 M29A21-S25 WeakPolarHBondContact O-CB 3.27Å; A21-S25 PolarHBondContact O-N 2.83Å; A21-S25 PolarHBondContact O-OG 3.15Å; Q22-S25 PolarHBondContact O-N 3.39Å; S25-Q27 VanDerWaalsContact C-N 3.32Å; S25-Q27 PolarHBondContact O-N 3.35Å; S25-I28 PolarHBondContact O-N 3.32Å; S25-M29 WeakPolarHBondContact O-CG 3.26Å; S25-M29 PolarHBondContact O-N 3.44Å
26L86.3Confident85Confident35 Ų3563.2 Ų63.218%0.18332%0.32CS..Hα-helixtrans-63.7-39.1177-17760.8000111.9Q22 E23 K24 M29 K30 I75 I78 E79Q22-L26 WeakPolarHBondContact O-CB 3.24Å; Q22-L26 PolarHBondContact O-N 3.48Å; E23-L26 PolarHBondContact O-N 2.91Å; K24-L26 VanDerWaalsContact C-N 3.33Å; K24-L26 PolarHBondContact O-N 3.45Å; L26-M29 HydrophobicContact CB-CE 4.36Å; L26-M29 HydrophobicContact CD1-CE 4.06Å; L26-M29 PolarHBondContact O-N 3.29Å; L26-K30 HydrophobicContact CG-CD 4.44Å; L26-K30 WeakPolarHBondContact O-CG 3.27Å; L26-K30 PolarHBondContact O-N 2.86Å; L26-I75 HydrophobicContact CD1-CG2 4.11Å; L26-I78 HydrophobicContact CD1-CG2 4.28Å; L26-E79 HydrophobicContact CD1-CB 4.24Å; L26-E79 HydrophobicContact CD2-CB 4.08Å; L26-E79 HydrophobicContact CD2-CG 4.13Å
27Q89.7Confident86.1Confident125 Ų12561.2 Ų61.258%0.58431%0.31SS*.Hα-helixtrans-60.6-49.7174.4-176.1-179.1-11.300111.4E23 K24 S25 M29 K30 E31E23-Q27 WeakPolarHBondContact O-CB 3.46Å; E23-Q27 PolarHBondContact O-N 2.89Å; K24-Q27 WeakPolarHBondContact O-CB 3.36Å; K24-Q27 PolarHBondContact O-N 3.48Å; S25-Q27 VanDerWaalsContact C-N 3.32Å; S25-Q27 PolarHBondContact O-N 3.35Å; Q27-M29 VanDerWaalsContact C-N 3.3Å; Q27-M29 PolarHBondContact O-N 2.98Å; Q27-K30 WeakPolarHBondContact O-CB 3.32Å; Q27-K30 PolarHBondContact O-N 3.17Å; Q27-K30 VanDerWaalsContact O-N 3.1Å; Q27-E31 PolarHBondContact O-N 2.88Å
28I89.4Confident87Confident16 Ų1657.3 Ų57.38%0.08229%0.289CS..Hα-helixtrans-58.7-44.1177.9-67.2162000110.4K24 S25 K30 E31 F34 T140 F143K24-I28 VanDerWaalsContact O-CG1 3.31Å; K24-I28 WeakPolarHBondContact O-CG1 3.38Å; K24-I28 PolarHBondContact O-N 3.47Å; S25-I28 PolarHBondContact O-N 3.32Å; I28-K30 PolarHBondContact O-N 3.48Å; I28-E31 WeakPolarHBondContact O-CB 3.38Å; I28-E31 PolarHBondContact O-N 3.37Å; I28-F34 HydrophobicContact CG2-CD2 4.24Å; I28-F34 WeakPolarHBondContact O-CB 3.3Å; I28-T140 HydrophobicContact CG2-CG2 4.16Å; I28-F143 HydrophobicContact CD1-CB 4.13Å; I28-F143 HydrophobicContact CD1-CD1 4.24Å; I28-F143 HydrophobicContact CD1-CD2 3.41Å; I28-F143 VanDerWaalsContact CD1-CD2 3.41Å; I28-F143 HydrophobicContact CD1-CE2 3.78Å; I28-F143 HydrophobicContact CD1-CG 3.66Å; I28-F143 HydrophobicContact CD1-CZ 4.34Å; I28-F143 HydrophobicContact CG1-CD2 4.05Å; I28-F143 HydrophobicContact CG1-CE2 4.14Å
29M89.4Confident88.1Confident26 Ų2656.7 Ų56.713%0.12829%0.286CS..Hα-helixtrans-61-28.9179.4-73.8-172.9-68.700113.2S25 L26 Q27 E31 F34 I35 I75 I78S25-M29 WeakPolarHBondContact O-CG 3.26Å; S25-M29 PolarHBondContact O-N 3.44Å; L26-M29 HydrophobicContact CB-CE 4.36Å; L26-M29 HydrophobicContact CD1-CE 4.06Å; L26-M29 PolarHBondContact O-N 3.29Å; Q27-M29 VanDerWaalsContact C-N 3.3Å; Q27-M29 PolarHBondContact O-N 2.98Å; M29-E31 VanDerWaalsContact C-N 3.35Å; M29-F34 VanDerWaalsContact CA-CD1 3.49Å; M29-F34 HydrophobicContact CB-CD1 4.19Å; M29-F34 HydrophobicContact CB-CE1 4.06Å; M29-F34 HydrophobicContact CG-CD1 4.26Å; M29-F34 HydrophobicContact CG-CE1 3.74Å; M29-F34 HydrophobicContact CG-CZ 3.97Å; M29-F34 WeakPolarHBondContact O-CD1 3.19Å; M29-I35 WeakPolarHBondContact O-CG1 3.42Å; M29-I75 HydrophobicContact CB-CD1 4.5Å; M29-I75 HydrophobicContact CB-CG1 4.17Å; M29-I75 WeakPolarHBondContact O-CD1 3.32Å; M29-I78 HydrophobicContact CE-CD1 3.89Å; M29-I78 HydrophobicContact CE-CG2 3.95Å; M29-I78 HydrophobicContact SD-CD1 3.79Å
30K92.6Very high89Confident89 Ų8959.9 Ų59.939%0.38730%0.301SS..THydrogen-bonded Turntrans-82.7-9.1177.2-71.9175.6173.4-165.20113.8L26 Q27 I28 I75 E79L26-K30 HydrophobicContact CG-CD 4.44Å; L26-K30 WeakPolarHBondContact O-CG 3.27Å; L26-K30 PolarHBondContact O-N 2.86Å; Q27-K30 WeakPolarHBondContact O-CB 3.32Å; Q27-K30 PolarHBondContact O-N 3.17Å; Q27-K30 VanDerWaalsContact O-N 3.1Å; I28-K30 PolarHBondContact O-N 3.48Å; K30-I75 HydrophobicContact CG-CG2 3.66Å; K30-E79 VanDerWaalsContact CE-OE2 3.25Å; K30-E79 WeakPolarHBondContact CE-OE2 3.32Å; K30-E79 IonicContact NZ-OE1 3.05Å; K30-E79 PolarHBondContact NZ-OE1 3.32Å; K30-E79 IonicContact NZ-OE2 2.86Å; K30-E79 PolarHBondContact NZ-OE2 3.33Å
31E94.1Very high89.7Confident79 Ų7958.7 Ų58.737%0.36929%0.291SS..SBendtrans-70.8136.9177.6-67177.1-175.300110.6Q27 I28 M29 Q33 F34 I35Q27-E31 PolarHBondContact O-N 2.88Å; I28-E31 WeakPolarHBondContact O-CB 3.38Å; I28-E31 PolarHBondContact O-N 3.37Å; M29-E31 VanDerWaalsContact C-N 3.35Å; E31-Q33 PolarHBondContact O-N 2.94Å; E31-Q33 VanDerWaalsContact O-N 3.15Å; E31-F34 PolarHBondContact O-N 3.39Å; E31-I35 PolarHBondContact O-N 3.47Å
32E93.9Very high90.3Very high108 Ų10860.3 Ų60.351%0.50530%0.296SS..Hα-helixtrans-57.5-33.2179.9-177.458.3-153.100112.1I35 G36 R68E32-I35 PolarHBondContact O-N 3.46Å; E32-G36 PolarHBondContact O-N 3.43Å; E32-R68 IonicContact OE1-CZ 3.73Å; E32-R68 VanDerWaalsContact OE1-CZ 3.22Å; E32-R68 IonicContact OE1-NH1 3.93Å; E32-R68 PolarHBondContact OE1-NH1 3.37Å; E32-R68 IonicContact OE1-NH2 2.82Å; E32-R68 PolarHBondContact OE1-NH2 3.48Å; E32-R68 IonicContact OE2-CZ 2.73Å; E32-R68 IonicContact OE2-NH1 2.69Å; E32-R68 IonicContact OE2-NH2 2.71Å; E32-R68 PolarHBondContact OE2-NH2 3.15Å
33Q93.1Very high91.2Very high123 Ų12359.8 Ų59.858%0.57529%0.294SS*.Hα-helixtrans-60.6-48.5175.4-178.3176.6-0.800111.4E31 N37E31-Q33 PolarHBondContact O-N 2.94Å; E31-Q33 VanDerWaalsContact O-N 3.15Å; Q33-N37 VanDerWaalsContact O-CB 3.27Å; Q33-N37 WeakPolarHBondContact O-CB 3.46Å; Q33-N37 PolarHBondContact O-N 3.23Å; Q33-N37 PolarHBondContact O-ND2 3.43Å; Q33-N37 PolarHBondContact O-OD1 3.26Å
34F92.8Very high91.7Very high17 Ų1756.6 Ų56.68%0.07528%0.282CS..Hα-helixtrans-65-46.1178.9-179.5-91.6000111.1I28 M29 E31 G36 N37 M38 I136 T140I28-F34 HydrophobicContact CG2-CD2 4.24Å; I28-F34 WeakPolarHBondContact O-CB 3.3Å; M29-F34 VanDerWaalsContact CA-CD1 3.49Å; M29-F34 HydrophobicContact CB-CD1 4.19Å; M29-F34 HydrophobicContact CB-CE1 4.06Å; M29-F34 HydrophobicContact CG-CD1 4.26Å; M29-F34 HydrophobicContact CG-CE1 3.74Å; M29-F34 HydrophobicContact CG-CZ 3.97Å; M29-F34 WeakPolarHBondContact O-CD1 3.19Å; E31-F34 PolarHBondContact O-N 3.39Å; F34-G36 PolarHBondContact O-N 2.95Å; F34-N37 PolarHBondContact O-N 3.45Å; F34-M38 HydrophobicContact CD1-CG 3.92Å; F34-M38 HydrophobicContact CE1-CG 3.48Å; F34-M38 VanDerWaalsContact CE1-CG 3.48Å; F34-M38 HydrophobicContact CE1-SD 4.45Å; F34-M38 HydrophobicContact CE2-CG 4.12Å; F34-M38 HydrophobicContact CE2-SD 4.49Å; F34-M38 HydrophobicContact CG-CG 4.44Å; F34-M38 HydrophobicContact CZ-CG 3.59Å; F34-M38 HydrophobicContact CZ-SD 4.03Å; F34-M38 WeakPolarHBondContact O-CB 3.33Å; F34-M38 WeakPolarHBondContact O-CG 3.49Å; F34-M38 PolarHBondContact O-N 3.48Å; F34-I136 HydrophobicContact CE2-CG2 4.33Å; F34-I136 HydrophobicContact CZ-CG2 4.3Å; F34-T140 HydrophobicContact CD2-CG2 4.11Å; F34-T140 HydrophobicContact CE2-CG2 3.98Å
35I94.8Very high91.8Very high12 Ų1256.3 Ų56.36%0.06228%0.284CS..Hα-helixtrans-59.1-49.3178.6-64.6171.8000110.2M29 E31 E32 N37 M38 V39 R68 V71 I75M29-I35 WeakPolarHBondContact O-CG1 3.42Å; E31-I35 PolarHBondContact O-N 3.47Å; E32-I35 PolarHBondContact O-N 3.46Å; I35-N37 PolarHBondContact O-N 2.9Å; I35-M38 PolarHBondContact O-N 3.35Å; I35-V39 HydrophobicContact CG2-CG2 4.39Å; I35-V39 WeakPolarHBondContact O-CB 3.1Å; I35-V39 VanDerWaalsContact O-CG2 3.24Å; I35-V39 WeakPolarHBondContact O-CG2 3.43Å; I35-V39 PolarHBondContact O-N 3.35Å; I35-R68 HydrophobicContact CG2-CG 4.26Å; I35-V71 HydrophobicContact CG1-CG1 4.34Å; I35-V71 HydrophobicContact CG2-CG1 4.27Å; I35-I75 HydrophobicContact CD1-CD1 4.11Å; I35-I75 HydrophobicContact CG1-CD1 3.93Å
36G94.7Very high91.9Very high26 Ų2657.3 Ų57.327%0.26829%0.289SS..Hα-helixtrans-59.2-47.1178.800000112.3E32 F34 M38 V39 E40E32-G36 PolarHBondContact O-N 3.43Å; F34-G36 PolarHBondContact O-N 2.95Å; G36-M38 PolarHBondContact O-N 3.43Å; G36-V39 PolarHBondContact O-N 3.36Å; G36-E40 PolarHBondContact O-N 3.02Å
37N94Very high92.3Very high49 Ų4955.7 Ų55.726%0.26228%0.28SS..Hα-helixtrans-62.2-42.4177.9-72.6-10000112.3Q33 F34 I35 E40 Y41 L139Q33-N37 VanDerWaalsContact O-CB 3.27Å; Q33-N37 WeakPolarHBondContact O-CB 3.46Å; Q33-N37 PolarHBondContact O-N 3.23Å; Q33-N37 PolarHBondContact O-ND2 3.43Å; Q33-N37 PolarHBondContact O-OD1 3.26Å; F34-N37 PolarHBondContact O-N 3.45Å; I35-N37 PolarHBondContact O-N 2.9Å; N37-E40 PolarHBondContact O-N 2.91Å; N37-Y41 WeakPolarHBondContact O-CB 3.21Å; N37-Y41 PolarHBondContact O-N 2.87Å; N37-L139 HydrophobicContact CB-CB 3.9Å; N37-L139 HydrophobicContact CB-CD1 4.19Å; N37-L139 HydrophobicContact CB-CD2 4.1Å; N37-L139 HydrophobicContact CB-CG 4.25Å; N37-L139 PolarHBondContact ND2-O 2.8Å
38M93.4Very high92.5Very high26 Ų2652.8 Ų52.813%0.12827%0.269CS..Hα-helixtrans-65.1-42.1176.4-79.1-62.3-61.800111.8F34 I35 G36 Y41 L42 V71 I136 L139F34-M38 HydrophobicContact CD1-CG 3.92Å; F34-M38 HydrophobicContact CE1-CG 3.48Å; F34-M38 VanDerWaalsContact CE1-CG 3.48Å; F34-M38 HydrophobicContact CE1-SD 4.45Å; F34-M38 HydrophobicContact CE2-CG 4.12Å; F34-M38 HydrophobicContact CE2-SD 4.49Å; F34-M38 HydrophobicContact CG-CG 4.44Å; F34-M38 HydrophobicContact CZ-CG 3.59Å; F34-M38 HydrophobicContact CZ-SD 4.03Å; F34-M38 WeakPolarHBondContact O-CB 3.33Å; F34-M38 WeakPolarHBondContact O-CG 3.49Å; F34-M38 PolarHBondContact O-N 3.48Å; I35-M38 PolarHBondContact O-N 3.35Å; G36-M38 PolarHBondContact O-N 3.43Å; M38-Y41 PolarHBondContact O-N 2.9Å; M38-L42 WeakPolarHBondContact O-CB 3.42Å; M38-L42 VanDerWaalsContact O-CG 3.29Å; M38-L42 WeakPolarHBondContact O-CG 3.29Å; M38-L42 PolarHBondContact O-N 3.16Å; M38-V71 HydrophobicContact CB-CG1 4.45Å; M38-V71 HydrophobicContact CB-CG2 4.12Å; M38-I136 HydrophobicContact CE-CG1 4.5Å; M38-I136 HydrophobicContact SD-CG1 4.29Å; M38-I136 HydrophobicContact SD-CG2 4.33Å; M38-L139 HydrophobicContact CG-CD1 4.07Å; M38-L139 HydrophobicContact SD-CD1 3.45Å; M38-L139 WeakPolarHBondContact SD-CD1 3.47Å
39V95Very high92.5Very high15 Ų1558.6 Ų58.69%0.09130%0.3CS..Hα-helixtrans-61.5-47.3175.6168.50000110.6I35 G36 Y41 L42 V43 A64 A67 R68 V71I35-V39 HydrophobicContact CG2-CG2 4.39Å; I35-V39 WeakPolarHBondContact O-CB 3.1Å; I35-V39 VanDerWaalsContact O-CG2 3.24Å; I35-V39 WeakPolarHBondContact O-CG2 3.43Å; I35-V39 PolarHBondContact O-N 3.35Å; G36-V39 PolarHBondContact O-N 3.36Å; V39-Y41 VanDerWaalsContact C-N 3.32Å; V39-Y41 PolarHBondContact O-N 3.02Å; V39-L42 PolarHBondContact O-N 3.03Å; V39-V43 HydrophobicContact CG1-CG2 4.29Å; V39-V43 WeakPolarHBondContact O-CB 3.46Å; V39-V43 WeakPolarHBondContact O-CG2 3.37Å; V39-V43 PolarHBondContact O-N 3.17Å; V39-A64 HydrophobicContact CG1-CB 4.15Å; V39-A67 HydrophobicContact CG1-CB 4.2Å; V39-A67 HydrophobicContact CG2-CB 4.43Å; V39-R68 VanDerWaalsContact CG2-CA 3.49Å; V39-R68 HydrophobicContact CG2-CB 3.78Å; V39-R68 HydrophobicContact CG2-CG 4.23Å; V39-V71 HydrophobicContact CG2-CG2 4.4Å
40E93.2Very high92.6Very high136 Ų13659.3 Ų59.364%0.63631%0.306SS*.Hα-helixtrans-60.1-43.8177.5-175.1174.7-177.200111.4G36 N37 V43 S44G36-E40 PolarHBondContact O-N 3.02Å; N37-E40 PolarHBondContact O-N 2.91Å; E40-V43 PolarHBondContact O-N 2.65Å; E40-S44 VanDerWaalsContact O-CB 3.27Å; E40-S44 WeakPolarHBondContact O-CB 3.44Å; E40-S44 PolarHBondContact O-N 2.82Å; E40-S44 PolarHBondContact O-OG 3.35Å
41Y92.1Very high92.6Very high60 Ų6064.6 Ų64.624%0.23533%0.328CS..Hα-helixtrans-59.7-51.8176.2177-112.7000112N37 M38 V39 V43 S44 I45 K135N37-Y41 WeakPolarHBondContact O-CB 3.21Å; N37-Y41 PolarHBondContact O-N 2.87Å; M38-Y41 PolarHBondContact O-N 2.9Å; V39-Y41 VanDerWaalsContact C-N 3.32Å; V39-Y41 PolarHBondContact O-N 3.02Å; Y41-V43 VanDerWaalsContact C-N 3.33Å; Y41-V43 PolarHBondContact O-N 2.8Å; Y41-S44 PolarHBondContact O-N 3.46Å; Y41-S44 PolarHBondContact O-OG 3.31Å; Y41-I45 HydrophobicContact CD1-CD1 4.01Å; Y41-I45 HydrophobicContact CD2-CD1 4.44Å; Y41-I45 HydrophobicContact CE1-CD1 3.54Å; Y41-I45 HydrophobicContact CE2-CD1 4.01Å; Y41-I45 HydrophobicContact CE2-CG1 4.27Å; Y41-I45 HydrophobicContact CG-CD1 4.45Å; Y41-I45 WeakPolarHBondContact O-CG1 3.35Å; Y41-I45 PolarHBondContact O-N 3.3Å; Y41-K135 HydrophobicContact CD2-CD 4.44Å; Y41-K135 HydrophobicContact CD2-CG 4.02Å; Y41-K135 HydrophobicContact CE1-CG 4.43Å; Y41-K135 HydrophobicContact CE2-CD 4.09Å; Y41-K135 HydrophobicContact CE2-CG 3.4Å
42L91.5Very high92.6Very high60 Ų6064.4 Ų64.431%0.31433%0.33SS..Hα-helixtrans-59.3-44.2179.5-73.1172.2000112M38 V39 A67 V71M38-L42 WeakPolarHBondContact O-CB 3.42Å; M38-L42 VanDerWaalsContact O-CG 3.29Å; M38-L42 WeakPolarHBondContact O-CG 3.29Å; M38-L42 PolarHBondContact O-N 3.16Å; V39-L42 PolarHBondContact O-N 3.03Å; L42-A67 HydrophobicContact CB-CB 4.17Å; L42-A67 HydrophobicContact CD1-CB 4.26Å; L42-V71 HydrophobicContact CD1-CG2 3.64Å
43V94.1Very high92.5Very high8 Ų864.7 Ų64.75%0.04833%0.334CS..Hα-helixtrans-65.5-39.4177.8169.40000111.5V39 E40 Y41 I45 T46 C47 K60 M63 A64 A67V39-V43 HydrophobicContact CG1-CG2 4.29Å; V39-V43 WeakPolarHBondContact O-CB 3.46Å; V39-V43 WeakPolarHBondContact O-CG2 3.37Å; V39-V43 PolarHBondContact O-N 3.17Å; E40-V43 PolarHBondContact O-N 2.65Å; Y41-V43 VanDerWaalsContact C-N 3.33Å; Y41-V43 PolarHBondContact O-N 2.8Å; V43-I45 PolarHBondContact O-N 3.32Å; V43-T46 PolarHBondContact O-N 2.73Å; V43-C47 HydrophobicContact CG1-CB 4.4Å; V43-C47 VanDerWaalsContact O-CB 3.26Å; V43-C47 WeakPolarHBondContact O-CB 3.36Å; V43-C47 PolarHBondContact O-N 2.69Å; V43-K60 HydrophobicContact CG1-CB 3.76Å; V43-K60 HydrophobicContact CG1-CD 4.35Å; V43-K60 HydrophobicContact CG1-CG 3.63Å; V43-M63 HydrophobicContact CG2-CB 3.9Å; V43-A64 HydrophobicContact CG2-CB 4.25Å; V43-A67 HydrophobicContact CG2-CB 4.15Å
44S91.3Very high92.5Very high32 Ų3264.6 Ų64.622%0.22434%0.338CS..Hα-helixtrans-61.4-44.1-179.874.70000112E40 Y41 T46 C47 D48E40-S44 VanDerWaalsContact O-CB 3.27Å; E40-S44 WeakPolarHBondContact O-CB 3.44Å; E40-S44 PolarHBondContact O-N 2.82Å; E40-S44 PolarHBondContact O-OG 3.35Å; Y41-S44 PolarHBondContact O-N 3.46Å; Y41-S44 PolarHBondContact O-OG 3.31Å; S44-T46 PolarHBondContact O-N 2.94Å; S44-C47 PolarHBondContact O-N 3.26Å; S44-D48 WeakPolarHBondContact CB-OD2 3.29Å; S44-D48 VanDerWaalsContact O-CB 3.3Å; S44-D48 WeakPolarHBondContact O-CB 3.27Å; S44-D48 PolarHBondContact O-N 3.26Å
45I87.8Confident92.5Very high87 Ų8770.1 Ų70.145%0.44636%0.362SS..Hα-helixtrans-54.4-44179.9-69.4164000110.9Y41 V43 N49Y41-I45 HydrophobicContact CD1-CD1 4.01Å; Y41-I45 HydrophobicContact CD2-CD1 4.44Å; Y41-I45 HydrophobicContact CE1-CD1 3.54Å; Y41-I45 HydrophobicContact CE2-CD1 4.01Å; Y41-I45 HydrophobicContact CE2-CG1 4.27Å; Y41-I45 HydrophobicContact CG-CD1 4.45Å; Y41-I45 WeakPolarHBondContact O-CG1 3.35Å; Y41-I45 PolarHBondContact O-N 3.3Å; V43-I45 PolarHBondContact O-N 3.32Å; I45-N49 PolarHBondContact O-ND2 3.34Å
46T87.7Confident92.5Very high75 Ų7573.1 Ų73.146%0.4637%0.372SS..Hα-helixtrans-85.9-42.1-175.6-47.70000112.3V43 S44 M63V43-T46 PolarHBondContact O-N 2.73Å; S44-T46 PolarHBondContact O-N 2.94Å; T46-M63 VanDerWaalsContact CB-CE 3.45Å; T46-M63 VanDerWaalsContact CB-SD 3.51Å; T46-M63 HydrophobicContact CG2-CE 3.64Å; T46-M63 HydrophobicContact CG2-SD 3.43Å; T46-M63 WeakPolarHBondContact CG2-SD 3.41Å; T46-M63 WeakPolarHBondContact OG1-CE 3.23Å
47C94.1Very high92.3Very high0 Ų076.5 Ų76.50%038%0.384CS..Hα-helixtrans-90.5-26.5-167.8-63.90000114.6V43 S44 N49 V50 R56 C59 K60 M63V43-C47 HydrophobicContact CG1-CB 4.4Å; V43-C47 VanDerWaalsContact O-CB 3.26Å; V43-C47 WeakPolarHBondContact O-CB 3.36Å; V43-C47 PolarHBondContact O-N 2.69Å; S44-C47 PolarHBondContact O-N 3.26Å; C47-N49 PolarHBondContact O-N 3.45Å; C47-N49 VanDerWaalsContact O-N 3.17Å; C47-V50 VanDerWaalsContact O-CB 3.3Å; C47-V50 WeakPolarHBondContact O-CB 3.45Å; C47-V50 WeakPolarHBondContact O-CG2 3.41Å; C47-V50 PolarHBondContact O-N 2.87Å; C47-R56 WeakPolarHBondContact O-CG 3.46Å; C47-C59 WeakPolarHBondContact CA-SG 3.46Å; C47-C59 HydrophobicContact CB-CB 3.79Å; C47-C59 WeakPolarHBondContact CB-SG 3.48Å; C47-C59 WeakPolarHBondContact SG-CB 3.39Å; C47-C59 CovalentContact SG-SG 2.05Å; C47-C59 PolarHBondContact SG-SG 2.66Å; C47-K60 HydrophobicContact CB-CG 3.75Å; C47-K60 PolarHBondContact SG-N 3.47Å; C47-K60 VanDerWaalsContact SG-N 3.43Å; C47-M63 PolarHBondContact SG-SD 3.47Å
48D92.7Very high92.3Very high65 Ų6580.4 Ų80.435%0.34840%0.4SS..THydrogen-bonded Turntrans-69.6-18.4-171.8-75.7-20.4000113.9S44 V50 K60S44-D48 WeakPolarHBondContact CB-OD2 3.29Å; S44-D48 VanDerWaalsContact O-CB 3.3Å; S44-D48 WeakPolarHBondContact O-CB 3.27Å; S44-D48 PolarHBondContact O-N 3.26Å; D48-V50 PolarHBondContact O-N 2.98Å; D48-K60 WeakPolarHBondContact OD1-CE 3.45Å; D48-K60 IonicContact OD1-NZ 2.74Å; D48-K60 PolarHBondContact OD1-NZ 3.02Å; D48-K60 IonicContact OD2-NZ 3.91Å
49N89.4Confident92.3Very high137 Ų13780.4 Ų80.473%0.73340%0.403SS*.THydrogen-bonded Turntrans-74.7-10.8173.3-65.6-48.6000113.5I45 C47 K51I45-N49 PolarHBondContact O-ND2 3.34Å; C47-N49 PolarHBondContact O-N 3.45Å; C47-N49 VanDerWaalsContact O-N 3.17Å; N49-K51 PolarHBondContact O-N 3.2Å
50V91.5Very high92.3Very high42 Ų4283.2 Ų83.226%0.25541%0.414SS..  trans-74.1109179.2-178.70000109.8C47 D48 D52 K55 R56C47-V50 VanDerWaalsContact O-CB 3.3Å; C47-V50 WeakPolarHBondContact O-CB 3.45Å; C47-V50 WeakPolarHBondContact O-CG2 3.41Å; C47-V50 PolarHBondContact O-N 2.87Å; D48-V50 PolarHBondContact O-N 2.98Å; V50-D52 VanDerWaalsContact C-N 3.34Å; V50-D52 PolarHBondContact O-N 3.1Å; V50-K55 HydrophobicContact CG1-CB 3.62Å; V50-R56 HydrophobicContact CB-CB 4.07Å; V50-R56 HydrophobicContact CG1-CB 4.24Å; V50-R56 PolarHBondContact O-NE 2.9Å; V50-R56 PolarHBondContact O-NH2 3.19Å
51K93.1Very high92.2Very high199 Ų19981.6 Ų81.687%0.86541%0.414SS*.  trans-59.9-40-176.8-66.9-175.6179-179.20113.5N49N49-K51 PolarHBondContact O-N 3.2Å
52D94.7Very high92Very high75 Ų7581.9 Ų81.940%0.40142%0.424SS..SBendtrans-76.6123.8-179-177.8-62.7000110.7V50 N54 K55 R56V50-D52 VanDerWaalsContact C-N 3.34Å; V50-D52 PolarHBondContact O-N 3.1Å; D52-N54 PolarHBondContact O-N 3.41Å; D52-N54 WeakPolarHBondContact OD1-CA 3.26Å; D52-N54 WeakPolarHBondContact OD1-CB 3.25Å; D52-N54 PolarHBondContact OD1-N 2.92Å; D52-K55 HydrophobicContact CB-CB 4.03Å; D52-K55 HydrophobicContact CB-CD 4.03Å; D52-K55 HydrophobicContact CB-CG 4.03Å; D52-K55 PolarHBondContact O-N 3.23Å; D52-K55 PolarHBondContact OD1-N 2.95Å; D52-R56 VanDerWaalsContact O-CB 3.31Å; D52-R56 WeakPolarHBondContact O-CB 3.48Å; D52-R56 PolarHBondContact O-N 3.46Å
53L92.4Very high92.1Very high114 Ų11481.2 Ų81.260%0.59742%0.42SS*.Hα-helixtrans-61.9-41.1-175.8-175.865.8000112.6R56 L57L53-R56 WeakPolarHBondContact O-CB 3.25Å; L53-R56 PolarHBondContact O-N 2.93Å; L53-L57 HydrophobicContact CG-CD1 4.41Å; L53-L57 WeakPolarHBondContact O-CG 3.36Å; L53-L57 PolarHBondContact O-N 2.64Å
54N93.1Very high92.1Very high122 Ų12282.4 Ų82.465%0.65243%0.431SS*.Hα-helixtrans-69.7-42.4-178.2-69-29.5000110.6D52 R56 L57 Q58D52-N54 PolarHBondContact O-N 3.41Å; D52-N54 WeakPolarHBondContact OD1-CA 3.26Å; D52-N54 WeakPolarHBondContact OD1-CB 3.25Å; D52-N54 PolarHBondContact OD1-N 2.92Å; N54-R56 VanDerWaalsContact C-N 3.31Å; N54-R56 PolarHBondContact O-N 3.32Å; N54-L57 PolarHBondContact O-N 3.4Å; N54-Q58 WeakPolarHBondContact O-CB 3.49Å; N54-Q58 PolarHBondContact O-N 3.02Å
55K92.9Very high92.1Very high133 Ų13385.2 Ų85.258%0.57845%0.447SS*.Hα-helixtrans-65.8-35.8174.4-64.3-175.2-178.4-178.20111.9V50 D52 Q58 C59V50-K55 HydrophobicContact CG1-CB 3.62Å; D52-K55 HydrophobicContact CB-CB 4.03Å; D52-K55 HydrophobicContact CB-CD 4.03Å; D52-K55 HydrophobicContact CB-CG 4.03Å; D52-K55 PolarHBondContact O-N 3.23Å; D52-K55 PolarHBondContact OD1-N 2.95Å; K55-Q58 PolarHBondContact O-N 3.21Å; K55-C59 VanDerWaalsContact O-CB 3.24Å; K55-C59 WeakPolarHBondContact O-CB 3.24Å; K55-C59 PolarHBondContact O-N 3.44Å
56R92.9Very high92.3Very high74 Ų7487.1 Ų87.128%0.27945%0.454SS..Hα-helixtrans-63-48.1175.1-173.8-179-48.3-173.67.5111C47 V50 D52 L53 N54 C59 K60C47-R56 WeakPolarHBondContact O-CG 3.46Å; V50-R56 HydrophobicContact CB-CB 4.07Å; V50-R56 HydrophobicContact CG1-CB 4.24Å; V50-R56 PolarHBondContact O-NE 2.9Å; V50-R56 PolarHBondContact O-NH2 3.19Å; D52-R56 VanDerWaalsContact O-CB 3.31Å; D52-R56 WeakPolarHBondContact O-CB 3.48Å; D52-R56 PolarHBondContact O-N 3.46Å; L53-R56 WeakPolarHBondContact O-CB 3.25Å; L53-R56 PolarHBondContact O-N 2.93Å; N54-R56 VanDerWaalsContact C-N 3.31Å; N54-R56 PolarHBondContact O-N 3.32Å; R56-C59 WeakPolarHBondContact O-CB 3.34Å; R56-C59 PolarHBondContact O-N 3.15Å; R56-K60 WeakPolarHBondContact O-CG 3.32Å; R56-K60 PolarHBondContact O-N 3.1Å
57L92.5Very high92.6Very high97 Ų9783.9 Ų83.951%0.50843%0.434SS..Hα-helixtrans-61.1-46176.9-72.1170.4000111.3L53 N54 C59 K60 T61L53-L57 HydrophobicContact CG-CD1 4.41Å; L53-L57 WeakPolarHBondContact O-CG 3.36Å; L53-L57 PolarHBondContact O-N 2.64Å; N54-L57 PolarHBondContact O-N 3.4Å; L57-C59 VanDerWaalsContact C-N 3.32Å; L57-C59 PolarHBondContact O-N 2.95Å; L57-K60 PolarHBondContact O-N 3.21Å; L57-K60 VanDerWaalsContact O-N 3.17Å; L57-T61 PolarHBondContact O-N 3.39Å; L57-T61 PolarHBondContact O-OG1 3.29Å
58Q92.5Very high92.7Very high131 Ų13187.9 Ų87.961%0.61245%0.45SS*.Hα-helixtrans-59.8-42.8175.9-172.9179.39.400112N54 K55 S62N54-Q58 WeakPolarHBondContact O-CB 3.49Å; N54-Q58 PolarHBondContact O-N 3.02Å; K55-Q58 PolarHBondContact O-N 3.21Å; Q58-S62 WeakPolarHBondContact O-CB 3.48Å; Q58-S62 PolarHBondContact O-N 2.79Å; Q58-S62 PolarHBondContact O-OG 3.34Å
59C94.4Very high92.8Very high27 Ų2788.2 Ų88.218%0.18245%0.451CS..Hα-helixtrans-57.7-51.1173.3-179.50000110.5C47 K55 R56 L57 T61 S62 M63C47-C59 WeakPolarHBondContact CA-SG 3.46Å; C47-C59 HydrophobicContact CB-CB 3.79Å; C47-C59 WeakPolarHBondContact CB-SG 3.48Å; C47-C59 WeakPolarHBondContact SG-CB 3.39Å; C47-C59 CovalentContact SG-SG 2.05Å; C47-C59 PolarHBondContact SG-SG 2.66Å; K55-C59 VanDerWaalsContact O-CB 3.24Å; K55-C59 WeakPolarHBondContact O-CB 3.24Å; K55-C59 PolarHBondContact O-N 3.44Å; R56-C59 WeakPolarHBondContact O-CB 3.34Å; R56-C59 PolarHBondContact O-N 3.15Å; L57-C59 VanDerWaalsContact C-N 3.32Å; L57-C59 PolarHBondContact O-N 2.95Å; C59-T61 PolarHBondContact O-N 2.89Å; C59-S62 PolarHBondContact O-N 2.9Å; C59-M63 WeakPolarHBondContact O-CB 3.41Å; C59-M63 WeakPolarHBondContact O-CG 3.49Å; C59-M63 PolarHBondContact O-N 3.35Å; C59-M63 VanDerWaalsContact SG-SD 3.66Å
60K94.1Very high92.9Very high73 Ų7387.2 Ų87.232%0.31745%0.445SS..Hα-helixtrans-59-46.7-178.5-69.7-163.4175.7-167.70112.2V43 C47 D48 R56 L57 A64V43-K60 HydrophobicContact CG1-CB 3.76Å; V43-K60 HydrophobicContact CG1-CD 4.35Å; V43-K60 HydrophobicContact CG1-CG 3.63Å; C47-K60 HydrophobicContact CB-CG 3.75Å; C47-K60 PolarHBondContact SG-N 3.47Å; C47-K60 VanDerWaalsContact SG-N 3.43Å; D48-K60 WeakPolarHBondContact OD1-CE 3.45Å; D48-K60 IonicContact OD1-NZ 2.74Å; D48-K60 PolarHBondContact OD1-NZ 3.02Å; D48-K60 IonicContact OD2-NZ 3.91Å; R56-K60 WeakPolarHBondContact O-CG 3.32Å; R56-K60 PolarHBondContact O-N 3.1Å; L57-K60 PolarHBondContact O-N 3.21Å; L57-K60 VanDerWaalsContact O-N 3.17Å; K60-A64 WeakPolarHBondContact O-CB 3.05Å; K60-A64 PolarHBondContact O-N 3.4Å
61T91.3Very high93.1Very high103 Ų10385.7 Ų85.763%0.63244%0.435SS*.Hα-helixtrans-64.4-42.5178.3-56.50000112L57 C59L57-T61 PolarHBondContact O-N 3.39Å; L57-T61 PolarHBondContact O-OG1 3.29Å; C59-T61 PolarHBondContact O-N 2.89Å
62S88.9Confident93.1Very high66 Ų6680 Ų8046%0.46241%0.412SS..Hα-helixtrans-68-46.5-178.3-53.20000111.3Q58 C59 A64Q58-S62 WeakPolarHBondContact O-CB 3.48Å; Q58-S62 PolarHBondContact O-N 2.79Å; Q58-S62 PolarHBondContact O-OG 3.34Å; C59-S62 PolarHBondContact O-N 2.9Å; S62-A64 PolarHBondContact O-N 2.84Å
63M93.4Very high92.9Very high45 Ų4583.5 Ų83.522%0.22242%0.42CS..Hα-helixtrans-73.7-26.2-177.6-69.1-166.464.400113.1V43 T46 C47 C59 T65 E66 A67V43-M63 HydrophobicContact CG2-CB 3.9Å; T46-M63 VanDerWaalsContact CB-CE 3.45Å; T46-M63 VanDerWaalsContact CB-SD 3.51Å; T46-M63 HydrophobicContact CG2-CE 3.64Å; T46-M63 HydrophobicContact CG2-SD 3.43Å; T46-M63 WeakPolarHBondContact CG2-SD 3.41Å; T46-M63 WeakPolarHBondContact OG1-CE 3.23Å; C47-M63 PolarHBondContact SG-SD 3.47Å; C59-M63 WeakPolarHBondContact O-CB 3.41Å; C59-M63 WeakPolarHBondContact O-CG 3.49Å; C59-M63 PolarHBondContact O-N 3.35Å; C59-M63 VanDerWaalsContact SG-SD 3.66Å; M63-T65 VanDerWaalsContact C-N 3.31Å; M63-T65 PolarHBondContact O-N 3.4Å; M63-E66 PolarHBondContact O-N 3Å; M63-A67 WeakPolarHBondContact O-CB 3.28Å; M63-A67 PolarHBondContact O-N 3.36Å
64A94.4Very high92.7Very high33 Ų3383.9 Ų83.927%0.27342%0.417SS..Hα-helixtrans-59-41.3-179.300000112.6V39 V43 K60 S62 R68V39-A64 HydrophobicContact CG1-CB 4.15Å; V43-A64 HydrophobicContact CG2-CB 4.25Å; K60-A64 WeakPolarHBondContact O-CB 3.05Å; K60-A64 PolarHBondContact O-N 3.4Å; S62-A64 PolarHBondContact O-N 2.84Å; A64-R68 VanDerWaalsContact O-CB 3.3Å; A64-R68 WeakPolarHBondContact O-CB 3.5Å; A64-R68 PolarHBondContact O-N 2.04Å
65T91.2Very high92.6Very high91 Ų9178.5 Ų78.556%0.55839%0.389SS*.Hα-helixtrans-66.4-46.7178.1-57.10000111.5M63 R68 I69M63-T65 VanDerWaalsContact C-N 3.31Å; M63-T65 PolarHBondContact O-N 3.4Å; T65-R68 PolarHBondContact O-N 2.9Å; T65-I69 HydrophobicContact CG2-CD1 4.28Å; T65-I69 WeakPolarHBondContact O-CG1 3.31Å; T65-I69 PolarHBondContact O-N 3.17Å; T65-I69 VanDerWaalsContact O-N 3.14Å
66E92Very high92.3Very high128 Ų12877.4 Ų77.460%0.59839%0.386SS*.Hα-helixtrans-64.5-45.9179.4-64.6-179.617900111.7M63 R68 I69 L70M63-E66 PolarHBondContact O-N 3Å; E66-R68 VanDerWaalsContact C-N 3.28Å; E66-R68 PolarHBondContact O-N 3.35Å; E66-I69 PolarHBondContact O-N 3.24Å; E66-L70 WeakPolarHBondContact O-CG 3.46Å; E66-L70 PolarHBondContact O-N 3.32Å
67A94.1Very high91.8Very high6 Ų678.5 Ų78.55%0.0539%0.393CS..Hα-helixtrans-59.5-39.7176.500000111.5V39 L42 V43 M63 L70 V71V39-A67 HydrophobicContact CG1-CB 4.2Å; V39-A67 HydrophobicContact CG2-CB 4.43Å; L42-A67 HydrophobicContact CB-CB 4.17Å; L42-A67 HydrophobicContact CD1-CB 4.26Å; V43-A67 HydrophobicContact CG2-CB 4.15Å; M63-A67 WeakPolarHBondContact O-CB 3.28Å; M63-A67 PolarHBondContact O-N 3.36Å; A67-L70 PolarHBondContact O-N 2.98Å; A67-V71 VanDerWaalsContact O-CG2 3.27Å; A67-V71 WeakPolarHBondContact O-CG2 3.32Å; A67-V71 PolarHBondContact O-N 2.82Å
68R95.7Very high91.2Very high85 Ų8575.1 Ų75.132%0.32138%0.375SS..Hα-helixtrans-64-44.1177.8-170.4174.7-176.6103.52.8112.1E32 I35 V39 A64 T65 E66 L70 V71 Q72E32-R68 IonicContact OE1-CZ 3.73Å; E32-R68 VanDerWaalsContact OE1-CZ 3.22Å; E32-R68 IonicContact OE1-NH1 3.93Å; E32-R68 PolarHBondContact OE1-NH1 3.37Å; E32-R68 IonicContact OE1-NH2 2.82Å; E32-R68 PolarHBondContact OE1-NH2 3.48Å; E32-R68 IonicContact OE2-CZ 2.73Å; E32-R68 IonicContact OE2-NH1 2.69Å; E32-R68 IonicContact OE2-NH2 2.71Å; E32-R68 PolarHBondContact OE2-NH2 3.15Å; I35-R68 HydrophobicContact CG2-CG 4.26Å; V39-R68 VanDerWaalsContact CG2-CA 3.49Å; V39-R68 HydrophobicContact CG2-CB 3.78Å; V39-R68 HydrophobicContact CG2-CG 4.23Å; A64-R68 VanDerWaalsContact O-CB 3.3Å; A64-R68 WeakPolarHBondContact O-CB 3.5Å; A64-R68 PolarHBondContact O-N 2.04Å; T65-R68 PolarHBondContact O-N 2.9Å; E66-R68 VanDerWaalsContact C-N 3.28Å; E66-R68 PolarHBondContact O-N 3.35Å; R68-L70 VanDerWaalsContact C-N 3.34Å; R68-V71 PolarHBondContact O-N 3.3Å; R68-Q72 WeakPolarHBondContact O-CG 3.03Å; R68-Q72 PolarHBondContact O-N 2.8Å
69I94Very high90.6Very high72 Ų7272.6 Ų72.637%0.36936%0.363SS..Hα-helixtrans-61.7-44.8175.9-68167000110.3T65 E66 V71 Q72 Y73T65-I69 HydrophobicContact CG2-CD1 4.28Å; T65-I69 WeakPolarHBondContact O-CG1 3.31Å; T65-I69 PolarHBondContact O-N 3.17Å; T65-I69 VanDerWaalsContact O-N 3.14Å; E66-I69 PolarHBondContact O-N 3.24Å; I69-V71 PolarHBondContact O-N 3.06Å; I69-Q72 PolarHBondContact O-N 2.88Å; I69-Y73 HydrophobicContact CG2-CD2 3.63Å; I69-Y73 HydrophobicContact CG2-CE2 3.27Å; I69-Y73 WeakPolarHBondContact O-CD2 3.35Å; I69-Y73 PolarHBondContact O-N 3.02Å
70L93Very high89.7Confident116 Ų11675.9 Ų75.961%0.60739%0.386SS*.Hα-helixtrans-61.3-44.2177.8-72.3172.6000112.5E66 A67 R68 Q72 Y73 F74E66-L70 WeakPolarHBondContact O-CG 3.46Å; E66-L70 PolarHBondContact O-N 3.32Å; A67-L70 PolarHBondContact O-N 2.98Å; R68-L70 VanDerWaalsContact C-N 3.34Å; L70-Q72 VanDerWaalsContact C-N 3.34Å; L70-Y73 PolarHBondContact O-N 3.35Å; L70-F74 WeakPolarHBondContact O-CB 3.36Å; L70-F74 PolarHBondContact O-N 3.37Å
71V93.9Very high88.2Confident10 Ų1077.8 Ų77.86%0.06139%0.392CS..Hα-helixtrans-62.3-42.9176.2171.30000110.7I35 M38 V39 L42 A67 R68 I69 F74 I75I35-V71 HydrophobicContact CG1-CG1 4.34Å; I35-V71 HydrophobicContact CG2-CG1 4.27Å; M38-V71 HydrophobicContact CB-CG1 4.45Å; M38-V71 HydrophobicContact CB-CG2 4.12Å; V39-V71 HydrophobicContact CG2-CG2 4.4Å; L42-V71 HydrophobicContact CD1-CG2 3.64Å; A67-V71 VanDerWaalsContact O-CG2 3.27Å; A67-V71 WeakPolarHBondContact O-CG2 3.32Å; A67-V71 PolarHBondContact O-N 2.82Å; R68-V71 PolarHBondContact O-N 3.3Å; I69-V71 PolarHBondContact O-N 3.06Å; V71-F74 WeakPolarHBondContact O-CB 3.4Å; V71-F74 PolarHBondContact O-N 2.86Å; V71-I75 HydrophobicContact CG1-CD1 3.85Å; V71-I75 WeakPolarHBondContact O-CD1 3.42Å; V71-I75 VanDerWaalsContact O-CG1 3.25Å; V71-I75 WeakPolarHBondContact O-CG1 3.25Å; V71-I75 PolarHBondContact O-N 3.47Å
72Q93.4Very high86.6Confident80 Ų8079.3 Ų79.337%0.37439%0.387SS..Hα-helixtrans-62.9-46.6177.2-74.6177.7-26.600112.2R68 I69 L70 F74 I75 E76R68-Q72 WeakPolarHBondContact O-CG 3.03Å; R68-Q72 PolarHBondContact O-N 2.8Å; I69-Q72 PolarHBondContact O-N 2.88Å; L70-Q72 VanDerWaalsContact C-N 3.34Å; Q72-F74 VanDerWaalsContact C-N 3.27Å; Q72-F74 PolarHBondContact O-N 3.3Å; Q72-I75 PolarHBondContact O-N 3.23Å; Q72-I75 VanDerWaalsContact O-N 3.16Å; Q72-E76 WeakPolarHBondContact O-CG 3.09Å; Q72-E76 PolarHBondContact O-N 3.14Å
73Y90.7Very high85Confident147 Ų14779 Ų7958%0.57638%0.38SS*.Hα-helixtrans-61.1-36.6174.8-74.2-36.7000112.8I69 L70 E76 F77I69-Y73 HydrophobicContact CG2-CD2 3.63Å; I69-Y73 HydrophobicContact CG2-CE2 3.27Å; I69-Y73 WeakPolarHBondContact O-CD2 3.35Å; I69-Y73 PolarHBondContact O-N 3.02Å; L70-Y73 PolarHBondContact O-N 3.35Å; Y73-E76 PolarHBondContact O-N 2.72Å; Y73-F77 VanDerWaalsContact O-CB 3.24Å; Y73-F77 WeakPolarHBondContact O-CB 3.48Å; Y73-F77 PolarHBondContact O-N 3.5Å
74F89Confident83Confident122 Ų12279.7 Ų79.754%0.53538%0.381SS..Hα-helixtrans-65.2-41.2175.3-177.3-109.8000112L70 V71 Q72 F77 I78L70-F74 WeakPolarHBondContact O-CB 3.36Å; L70-F74 PolarHBondContact O-N 3.37Å; V71-F74 WeakPolarHBondContact O-CB 3.4Å; V71-F74 PolarHBondContact O-N 2.86Å; Q72-F74 VanDerWaalsContact C-N 3.27Å; Q72-F74 PolarHBondContact O-N 3.3Å; F74-F77 WeakPolarHBondContact O-CB 3.49Å; F74-F77 PolarHBondContact O-N 3.06Å; F74-I78 HydrophobicContact CD1-CD1 3.67Å; F74-I78 HydrophobicContact CE1-CD1 3.21Å; F74-I78 HydrophobicContact CE1-CG1 4.28Å; F74-I78 HydrophobicContact CE2-CD1 4.17Å; F74-I78 HydrophobicContact CE2-CG1 4.45Å; F74-I78 HydrophobicContact CG-CD1 4.34Å; F74-I78 HydrophobicContact CZ-CD1 3.5Å; F74-I78 HydrophobicContact CZ-CG1 4.22Å; F74-I78 WeakPolarHBondContact O-CG1 3.06Å; F74-I78 PolarHBondContact O-N 3.4Å
75I89.9Confident80.8Confident10 Ų1080.2 Ų80.25%0.05138%0.381CS..Hα-helixtrans-64.1-45.5175.5-65.7161.8000110.8L26 M29 K30 I35 V71 Q72 F77 I78 E79L26-I75 HydrophobicContact CD1-CG2 4.11Å; M29-I75 HydrophobicContact CB-CD1 4.5Å; M29-I75 HydrophobicContact CB-CG1 4.17Å; M29-I75 WeakPolarHBondContact O-CD1 3.32Å; K30-I75 HydrophobicContact CG-CG2 3.66Å; I35-I75 HydrophobicContact CD1-CD1 4.11Å; I35-I75 HydrophobicContact CG1-CD1 3.93Å; V71-I75 HydrophobicContact CG1-CD1 3.85Å; V71-I75 WeakPolarHBondContact O-CD1 3.42Å; V71-I75 VanDerWaalsContact O-CG1 3.25Å; V71-I75 WeakPolarHBondContact O-CG1 3.25Å; V71-I75 PolarHBondContact O-N 3.47Å; Q72-I75 PolarHBondContact O-N 3.23Å; Q72-I75 VanDerWaalsContact O-N 3.16Å; I75-F77 VanDerWaalsContact C-N 3.3Å; I75-F77 PolarHBondContact O-N 3.41Å; I75-I78 PolarHBondContact O-N 3.24Å; I75-E79 WeakPolarHBondContact O-CB 3.27Å; I75-E79 PolarHBondContact O-N 2.97Å
76E87.7Confident78.6Confident109 Ų10981.5 Ų81.551%0.50938%0.382SS..Hα-helixtrans-61.5-39.8175.7-73.1177.1-17700111.6Q72 Y73 E79 S80Q72-E76 WeakPolarHBondContact O-CG 3.09Å; Q72-E76 PolarHBondContact O-N 3.14Å; Y73-E76 PolarHBondContact O-N 2.72Å; E76-E79 PolarHBondContact O-N 3.34Å; E76-S80 VanDerWaalsContact O-CB 3.26Å; E76-S80 WeakPolarHBondContact O-CB 3.09Å; E76-S80 PolarHBondContact O-N 3.06Å
77F82.1Confident76.6Confident97 Ų9776.1 Ų76.143%0.42536%0.358SS..Hα-helixtrans-61.8-49174.3179-91000110.9Y73 F74 I75 E79 S80 Y81Y73-F77 VanDerWaalsContact O-CB 3.24Å; Y73-F77 WeakPolarHBondContact O-CB 3.48Å; Y73-F77 PolarHBondContact O-N 3.5Å; F74-F77 WeakPolarHBondContact O-CB 3.49Å; F74-F77 PolarHBondContact O-N 3.06Å; I75-F77 VanDerWaalsContact C-N 3.3Å; I75-F77 PolarHBondContact O-N 3.41Å; F77-E79 VanDerWaalsContact C-N 3.27Å; F77-E79 PolarHBondContact O-N 2.98Å; F77-S80 PolarHBondContact O-N 2.94Å; F77-Y81 HydrophobicContact CD1-CD2 4.41Å; F77-Y81 AromaticContact CD2-CD2 3.36Å; F77-Y81 HydrophobicContact CD2-CD2 3.36Å; F77-Y81 AromaticContact CD2-CE2 3.5Å; F77-Y81 HydrophobicContact CD2-CE2 3.5Å; F77-Y81 HydrophobicContact CD2-CG 4.38Å; F77-Y81 HydrophobicContact CE1-CD2 4.33Å; F77-Y81 AromaticContact CE2-CD2 3.26Å; F77-Y81 HydrophobicContact CE2-CD2 3.26Å; F77-Y81 AromaticContact CE2-CE2 3.3Å; F77-Y81 HydrophobicContact CE2-CE2 3.3Å; F77-Y81 AromaticContact CE2-CG 3.98Å; F77-Y81 HydrophobicContact CE2-CG 3.98Å; F77-Y81 AromaticContact CG-CD2 3.96Å; F77-Y81 HydrophobicContact CG-CD2 3.96Å; F77-Y81 HydrophobicContact CG-CE2 4.5Å; F77-Y81 AromaticContact CZ-CD2 3.78Å; F77-Y81 HydrophobicContact CZ-CD2 3.78Å; F77-Y81 HydrophobicContact CZ-CE2 4.17Å; F77-Y81 HydrophobicContact CZ-CG 4.05Å; F77-Y81 WeakPolarHBondContact O-CB 3.16Å; F77-Y81 WeakPolarHBondContact O-CD2 3.38Å; F77-Y81 PolarHBondContact O-N 3.08Å
78I80Confident74.7Confident26 Ų2677.9 Ų77.913%0.13337%0.366CS..Hα-helixtrans-60.8-38.4176.7-69.1168.4000111.3L26 M29 F74 I75 R82 L83L26-I78 HydrophobicContact CD1-CG2 4.28Å; M29-I78 HydrophobicContact CE-CD1 3.89Å; M29-I78 HydrophobicContact CE-CG2 3.95Å; M29-I78 HydrophobicContact SD-CD1 3.79Å; F74-I78 HydrophobicContact CD1-CD1 3.67Å; F74-I78 HydrophobicContact CE1-CD1 3.21Å; F74-I78 HydrophobicContact CE1-CG1 4.28Å; F74-I78 HydrophobicContact CE2-CD1 4.17Å; F74-I78 HydrophobicContact CE2-CG1 4.45Å; F74-I78 HydrophobicContact CG-CD1 4.34Å; F74-I78 HydrophobicContact CZ-CD1 3.5Å; F74-I78 HydrophobicContact CZ-CG1 4.22Å; F74-I78 WeakPolarHBondContact O-CG1 3.06Å; F74-I78 PolarHBondContact O-N 3.4Å; I75-I78 PolarHBondContact O-N 3.24Å; I78-R82 WeakPolarHBondContact O-CA 3.27Å; I78-R82 PolarHBondContact O-N 2.86Å; I78-R82 VanDerWaalsContact O-N 3.08Å; I78-L83 HydrophobicContact CG2-CD1 4.29Å; I78-L83 HydrophobicContact CG2-CG 4.18Å
79E80.5Confident72.7Confident79 Ų7982.5 Ų82.537%0.36938%0.384SS..Hα-helixtrans-68.8-45.8178179164.7-143.800112.3L26 K30 I75 E76 F77 R82L26-E79 HydrophobicContact CD1-CB 4.24Å; L26-E79 HydrophobicContact CD2-CB 4.08Å; L26-E79 HydrophobicContact CD2-CG 4.13Å; K30-E79 VanDerWaalsContact CE-OE2 3.25Å; K30-E79 WeakPolarHBondContact CE-OE2 3.32Å; K30-E79 IonicContact NZ-OE1 3.05Å; K30-E79 PolarHBondContact NZ-OE1 3.32Å; K30-E79 IonicContact NZ-OE2 2.86Å; K30-E79 PolarHBondContact NZ-OE2 3.33Å; I75-E79 WeakPolarHBondContact O-CB 3.27Å; I75-E79 PolarHBondContact O-N 2.97Å; E76-E79 PolarHBondContact O-N 3.34Å; F77-E79 VanDerWaalsContact C-N 3.27Å; F77-E79 PolarHBondContact O-N 2.98Å; E79-R82 WeakPolarHBondContact O-CG 3.28Å; E79-R82 PolarHBondContact O-N 2.98Å
80S73.9Confident71Confident96 Ų9681.3 Ų81.367%0.67138%0.381SS*.Hα-helixtrans-70.6-45-178.3-176.10000111.6E76 F77 R82E76-S80 VanDerWaalsContact O-CB 3.26Å; E76-S80 WeakPolarHBondContact O-CB 3.09Å; E76-S80 PolarHBondContact O-N 3.06Å; F77-S80 PolarHBondContact O-N 2.94Å; S80-R82 PolarHBondContact O-N 2.89Å
81Y62.9Low68.9Low113 Ų11383 Ų8344%0.44339%0.386SS..THydrogen-bonded Turntrans-8818.1177.6-72.6-87.3000112.4F77 T85F77-Y81 HydrophobicContact CD1-CD2 4.41Å; F77-Y81 AromaticContact CD2-CD2 3.36Å; F77-Y81 HydrophobicContact CD2-CD2 3.36Å; F77-Y81 AromaticContact CD2-CE2 3.5Å; F77-Y81 HydrophobicContact CD2-CE2 3.5Å; F77-Y81 HydrophobicContact CD2-CG 4.38Å; F77-Y81 HydrophobicContact CE1-CD2 4.33Å; F77-Y81 AromaticContact CE2-CD2 3.26Å; F77-Y81 HydrophobicContact CE2-CD2 3.26Å; F77-Y81 AromaticContact CE2-CE2 3.3Å; F77-Y81 HydrophobicContact CE2-CE2 3.3Å; F77-Y81 AromaticContact CE2-CG 3.98Å; F77-Y81 HydrophobicContact CE2-CG 3.98Å; F77-Y81 AromaticContact CG-CD2 3.96Å; F77-Y81 HydrophobicContact CG-CD2 3.96Å; F77-Y81 HydrophobicContact CG-CE2 4.5Å; F77-Y81 AromaticContact CZ-CD2 3.78Å; F77-Y81 HydrophobicContact CZ-CD2 3.78Å; F77-Y81 HydrophobicContact CZ-CE2 4.17Å; F77-Y81 HydrophobicContact CZ-CG 4.05Å; F77-Y81 WeakPolarHBondContact O-CB 3.16Å; F77-Y81 WeakPolarHBondContact O-CD2 3.38Å; F77-Y81 PolarHBondContact O-N 3.08Å; Y81-T85 PolarHBondContact O-OG1 3.48Å
82R58.2Low66.5Low135 Ų13587.4 Ų87.451%0.50942%0.417SS..THydrogen-bonded Turntrans5.2120.1-175.6-70.5-165.8172.4-147.5-4.8112.3I78 E79 S80 K84 T85I78-R82 WeakPolarHBondContact O-CA 3.27Å; I78-R82 PolarHBondContact O-N 2.86Å; I78-R82 VanDerWaalsContact O-N 3.08Å; E79-R82 WeakPolarHBondContact O-CG 3.28Å; E79-R82 PolarHBondContact O-N 2.98Å; S80-R82 PolarHBondContact O-N 2.89Å; R82-K84 HydrophobicContact CB-CB 3.84Å; R82-K84 HydrophobicContact CB-CG 4.14Å; R82-K84 CarbonylContact O-C 3.6Å; R82-K84 WeakPolarHBondContact O-CA 3.4Å; R82-K84 PolarHBondContact O-N 3.49Å; R82-T85 PolarHBondContact O-N 3.49Å; R82-T85 PolarHBondContact O-OG1 3.25Å
83L55Low63.9Low60 Ų6088.4 Ų88.431%0.31443%0.429SS..Hα-helixtrans-42.8-22.6167.2-70.6167.1000114Q22 I78 T85 M86 L87Q22-L83 HydrophobicContact CB-CD1 4.48Å; Q22-L83 HydrophobicContact CG-CB 3.92Å; Q22-L83 HydrophobicContact CG-CD1 4.1Å; Q22-L83 PolarHBondContact NE2-O 2.66Å; I78-L83 HydrophobicContact CG2-CD1 4.29Å; I78-L83 HydrophobicContact CG2-CG 4.18Å; L83-T85 VanDerWaalsContact C-N 3.29Å; L83-T85 PolarHBondContact O-N 3.32Å; L83-M86 PolarHBondContact O-N 2.89Å; L83-L87 PolarHBondContact O-N 3.47Å
84K51.8Low61.7Low58 Ų5885.5 Ų85.525%0.25242%0.423SS..Hα-helixtrans-46.7-37.6164.5-58.1-159-178.2-156.60115.2E23 R82 N88E23-K84 IonicContact OE1-NZ 3.22Å; E23-K84 PolarHBondContact OE1-NZ 2.95Å; R82-K84 HydrophobicContact CB-CB 3.84Å; R82-K84 HydrophobicContact CB-CG 4.14Å; R82-K84 CarbonylContact O-C 3.6Å; R82-K84 WeakPolarHBondContact O-CA 3.4Å; R82-K84 PolarHBondContact O-N 3.49Å; K84-N88 PolarHBondContact O-OD1 2.73Å
85T47.1Very low59.7Low45 Ų4588.3 Ų88.328%0.27644%0.438SS..Hα-helixtrans-81.8-42.5174.448.50000112.2Y81 R82 L83 L87 N88 L94Y81-T85 PolarHBondContact O-OG1 3.48Å; R82-T85 PolarHBondContact O-N 3.49Å; R82-T85 PolarHBondContact O-OG1 3.25Å; L83-T85 VanDerWaalsContact C-N 3.29Å; L83-T85 PolarHBondContact O-N 3.32Å; T85-L87 PolarHBondContact O-N 3.48Å; T85-N88 PolarHBondContact O-N 2.89Å; T85-N88 PolarHBondContact O-OD1 3.49Å; T85-L94 HydrophobicContact CG2-CD2 4.25Å; T85-L94 WeakPolarHBondContact O-CD2 3.35Å
86M45.8Very low57.6Low117 Ų11797 Ų9758%0.57647%0.47SS*.Hα-helixtrans-65.7-21.4178.7-79.4-164.8-173.100113.6L83L83-M86 PolarHBondContact O-N 2.89Å
87L51.1Low55.7Low16 Ų1695.4 Ų95.48%0.08447%0.469CS..THydrogen-bonded Turntrans-12455.1176.2-68166.5000110.9L18 L83 T85 W89 F154L18-L87 HydrophobicContact CD1-CD1 4.3Å; L18-L87 HydrophobicContact CD2-CB 4.15Å; L18-L87 HydrophobicContact CD2-CD1 4.22Å; L83-L87 PolarHBondContact O-N 3.47Å; T85-L87 PolarHBondContact O-N 3.48Å; L87-W89 PolarHBondContact O-N 3.03Å; L87-F154 HydrophobicContact CD1-CE1 4.07Å
88N52.4Low54.1Low42 Ų4299.2 Ų99.223%0.22549%0.488CS..THydrogen-bonded Turntrans-56.223.9166.3-88.9-3.4000115K84 T85 C90 Q91 T93 L94K84-N88 PolarHBondContact O-OD1 2.73Å; T85-N88 PolarHBondContact O-N 2.89Å; T85-N88 PolarHBondContact O-OD1 3.49Å; N88-C90 PolarHBondContact O-N 2.95Å; N88-Q91 WeakPolarHBondContact CB-O 2.97Å; N88-Q91 PolarHBondContact OD1-O 3.21Å; N88-T93 PolarHBondContact ND2-N 2.92Å; N88-T93 VanDerWaalsContact ND2-N 3.2Å; N88-L94 WeakPolarHBondContact ND2-CG 3.39Å; N88-L94 PolarHBondContact ND2-N 3.32Å
89W54.1Low52.7Low183 Ų183105.9 Ų105.969%0.69351%0.513SS*.THydrogen-bonded Turntrans-61.4-21.6172.9-7025.1000111.6L87L87-W89 PolarHBondContact O-N 3.03Å
90C58Low50.9Low47 Ų47105.4 Ų105.432%0.31853%0.53SS..SBendtrans-95.5-43.9179-65.70000114.1C15 N88C15-C90 WeakPolarHBondContact CA-SG 3.43Å; C15-C90 HydrophobicContact CB-CB 4.08Å; C15-C90 WeakPolarHBondContact CB-SG 3.25Å; C15-C90 WeakPolarHBondContact SG-CB 3.31Å; C15-C90 CovalentContact SG-SG 1.99Å; C15-C90 PolarHBondContact SG-SG 3.17Å; N88-C90 PolarHBondContact O-N 2.95Å
91Q49.9Very low50Low150 Ų150107 Ų10770%0.70153%0.53SS*.  trans-152.1120.7-177.8-67.3-175.2-9.800108.6N88 T93N88-Q91 WeakPolarHBondContact CB-O 2.97Å; N88-Q91 PolarHBondContact OD1-O 3.21Å; Q91-T93 PolarHBondContact O-N 2.88Å; Q91-T93 VanDerWaalsContact O-N 3.14Å
92S42.8Very low50Low104 Ų104105.3 Ų105.373%0.72754%0.535SS*.  trans-83.183.4-177.8600000111.8
93T39.6Very low50.7Low101 Ų101103.3 Ų103.362%0.6254%0.542SS*.  trans-139.589.2165.3400000110N88 Q91 E95N88-T93 PolarHBondContact ND2-N 2.92Å; N88-T93 VanDerWaalsContact ND2-N 3.2Å; Q91-T93 PolarHBondContact O-N 2.88Å; Q91-T93 VanDerWaalsContact O-N 3.14Å; T93-E95 PolarHBondContact O-N 2.86Å
94L45.1Very low52Low86 Ų86107.5 Ų107.545%0.4556%0.558SS.*  trans-74.8110.2160.8-68.5178.4000107.3T85 N88T85-L94 HydrophobicContact CG2-CD2 4.25Å; T85-L94 WeakPolarHBondContact O-CD2 3.35Å; N88-L94 WeakPolarHBondContact ND2-CG 3.39Å; N88-L94 PolarHBondContact ND2-N 3.32Å
95E46.4Very low53.5Low181 Ų181107.1 Ų107.185%0.84656%0.558SS**PPolyproline II helixtrans-69.6130.4165.7-71.2-172.7155.300108.9T93 P97T93-E95 PolarHBondContact O-N 2.86Å; E95-P97 WeakPolarHBondContact O-CD 3.28Å
96R45.6Very low55.3Low191 Ų191105.8 Ų105.872%0.72155%0.551SS**PPolyproline II helixtrans-86.3116.4-167.9-70.1178.2-80.6168.5-4.8111.4
97P48Very low57.3Low76 Ų76102.8 Ų102.849%0.49454%0.541SS..PPolyproline II helixtrans-78117.2154.53.515.1000107.8E95 Y99E95-P97 WeakPolarHBondContact O-CD 3.28Å; P97-Y99 PolarHBondContact O-N 3.41Å
98Q47.1Very low59.1Low178 Ų178104.9 Ų104.983%0.83256%0.555SS**  trans-79.8105.9169.8-75.3-160.3-30.400109.3
99Y51.1Low60.8Low165 Ų165103.1 Ų103.165%0.64755%0.546SS*.  trans-96.4103.3167-159-82.2000109.9P97 N101 L105P97-Y99 PolarHBondContact O-N 3.41Å; Y99-N101 HydrophobicContact CE1-CB 4.47Å; Y99-N101 PolarHBondContact O-N 2.93Å; Y99-L105 HydrophobicContact CD1-CD1 3.21Å; Y99-L105 HydrophobicContact CE1-CD1 3.12Å; Y99-L105 HydrophobicContact CE1-CG 4.45Å; Y99-L105 HydrophobicContact CG-CD1 4.16Å
100G43.5Very low62.5Low70 Ų7097.1 Ų97.172%0.72253%0.525SS*.  trans-86.288.1175.200000111.7
101N54.7Low64.1Low129 Ų129101.7 Ų101.769%0.6954%0.544SS*.  trans-172.4109.5144.8-110.3-27.3000110.4Y99Y99-N101 HydrophobicContact CE1-CB 4.47Å; Y99-N101 PolarHBondContact O-N 2.93Å
102S62.4Low66.1Low78 Ų7896.9 Ų96.955%0.54553%0.529SS..THydrogen-bonded Turntrans-115.729.7-136.256.40000115.9
103S73.9Confident68.4Low92 Ų9292.3 Ų92.364%0.64350%0.497SS*.THydrogen-bonded Turntrans-134.7-50.2172.364.20000113.5C106 S107S103-C106 WeakPolarHBondContact O-CB 3.44Å; S103-C106 PolarHBondContact O-N 3.01Å; S103-S107 PolarHBondContact O-N 3.06Å; S103-S107 PolarHBondContact O-OG 3.49Å
104F81.8Confident70.9Confident149 Ų14989.5 Ų89.565%0.65448%0.484SS*.Hα-helixtrans-65.2-44.3-179.9177.5-99.9000112.8C106 S107 T108F104-C106 VanDerWaalsContact C-N 3.3Å; F104-S107 PolarHBondContact O-N 2.73Å; F104-S107 PolarHBondContact O-OG 2.97Å; F104-T108 VanDerWaalsContact O-CB 3.31Å; F104-T108 WeakPolarHBondContact O-CB 3.34Å; F104-T108 PolarHBondContact O-N 3.45Å; F104-T108 PolarHBondContact O-OG1 2.86Å
105L82.2Confident73Confident49 Ų4992.2 Ų92.226%0.25749%0.49SS..Hα-helixtrans-64.8-39.2176.1-73.6177.7000111.6Y99 T108 C109 M176Y99-L105 HydrophobicContact CD1-CD1 3.21Å; Y99-L105 HydrophobicContact CE1-CD1 3.12Å; Y99-L105 HydrophobicContact CE1-CG 4.45Å; Y99-L105 HydrophobicContact CG-CD1 4.16Å; L105-T108 PolarHBondContact O-N 3.32Å; L105-C109 VanDerWaalsContact O-CB 3.25Å; L105-C109 WeakPolarHBondContact O-CB 3.36Å; L105-C109 PolarHBondContact O-N 3.25Å; L105-M176 HydrophobicContact CB-CE 4.46Å; L105-M176 HydrophobicContact CD2-CE 4.37Å
106C85.9Confident75.1Confident18 Ų1887.8 Ų87.812%0.12247%0.471CS..Hα-helixtrans-60.2-55.2175.6-1780000110.7S103 F104 T108 C109 E110 M176 C177S103-C106 WeakPolarHBondContact O-CB 3.44Å; S103-C106 PolarHBondContact O-N 3.01Å; F104-C106 VanDerWaalsContact C-N 3.3Å; C106-T108 VanDerWaalsContact C-N 3.27Å; C106-T108 PolarHBondContact O-N 3.49Å; C106-C109 WeakPolarHBondContact O-CB 3.46Å; C106-C109 PolarHBondContact O-N 2.94Å; C106-C109 VanDerWaalsContact O-N 3.1Å; C106-E110 WeakPolarHBondContact O-CG 3.49Å; C106-E110 PolarHBondContact O-N 3.43Å; C106-E110 PolarHBondContact SG-OE1 3.06Å; C106-M176 VanDerWaalsContact CA-O 3.28Å; C106-M176 WeakPolarHBondContact CA-O 3.37Å; C106-M176 WeakPolarHBondContact CB-O 3.46Å; C106-M176 PolarHBondContact N-O 3.33Å; C106-C177 WeakPolarHBondContact CA-SG 3.43Å; C106-C177 HydrophobicContact CB-CB 3.89Å; C106-C177 WeakPolarHBondContact CB-SG 3.42Å; C106-C177 WeakPolarHBondContact SG-CB 3.42Å; C106-C177 CovalentContact SG-SG 2.03Å; C106-C177 PolarHBondContact SG-SG 3.25Å
107S88Confident77.3Confident53 Ų5381.4 Ų81.437%0.37145%0.449SS..Hα-helixtrans-61.5-34.9178.861.70000113.2S103 F104 M111S103-S107 PolarHBondContact O-N 3.06Å; S103-S107 PolarHBondContact O-OG 3.49Å; F104-S107 PolarHBondContact O-N 2.73Å; F104-S107 PolarHBondContact O-OG 2.97Å; S107-M111 VanDerWaalsContact O-CB 3.28Å; S107-M111 WeakPolarHBondContact O-CB 3.43Å; S107-M111 PolarHBondContact O-N 2.89Å
108T88.2Confident79.3Confident61 Ų6182.3 Ų82.337%0.37445%0.453SS..Hα-helixtrans-69.1-42.4177.1-58.40000110.6F104 L105 C106 A112F104-T108 VanDerWaalsContact O-CB 3.31Å; F104-T108 WeakPolarHBondContact O-CB 3.34Å; F104-T108 PolarHBondContact O-N 3.45Å; F104-T108 PolarHBondContact O-OG1 2.86Å; L105-T108 PolarHBondContact O-N 3.32Å; C106-T108 VanDerWaalsContact C-N 3.27Å; C106-T108 PolarHBondContact O-N 3.49Å; T108-A112 WeakPolarHBondContact O-CB 3.3Å; T108-A112 PolarHBondContact O-N 3.48Å
109C89Confident81.3Confident5 Ų578.1 Ų78.13%0.03443%0.432CS..Hα-helixtrans-61.9-49.4174.8177.50000111.1L105 C106 M111 A112 V113 C171 M174 M176L105-C109 VanDerWaalsContact O-CB 3.25Å; L105-C109 WeakPolarHBondContact O-CB 3.36Å; L105-C109 PolarHBondContact O-N 3.25Å; C106-C109 WeakPolarHBondContact O-CB 3.46Å; C106-C109 PolarHBondContact O-N 2.94Å; C106-C109 VanDerWaalsContact O-N 3.1Å; C109-M111 VanDerWaalsContact C-N 3.29Å; C109-M111 PolarHBondContact O-N 2.93Å; C109-A112 CarbonylContact O-C 3.47Å; C109-A112 WeakPolarHBondContact O-CB 3.3Å; C109-A112 PolarHBondContact O-N 3.27Å; C109-V113 WeakPolarHBondContact O-CG2 3.41Å; C109-V113 PolarHBondContact O-N 3.32Å; C109-C171 HydrophobicContact CB-CB 3.76Å; C109-C171 WeakPolarHBondContact CB-SG 3.31Å; C109-C171 WeakPolarHBondContact SG-CA 3.3Å; C109-C171 WeakPolarHBondContact SG-CB 3.36Å; C109-C171 CovalentContact SG-SG 2.03Å; C109-C171 PolarHBondContact SG-SG 2.93Å; C109-M174 WeakPolarHBondContact SG-CE 3.42Å; C109-M176 HydrophobicContact CB-CB 3.83Å; C109-M176 HydrophobicContact CB-CE 3.87Å; C109-M176 HydrophobicContact CB-CG 4.35Å; C109-M176 HydrophobicContact CB-SD 3.64Å; C109-M176 VanDerWaalsContact SG-SD 3.65Å
110E90.4Very high83.1Confident56 Ų5670.7 Ų70.726%0.26240%0.404SS..Hα-helixtrans-59.2-43.6-179.5-73.5168.9-179.500110.7C106 A112 V113 A114 P167 C171C106-E110 WeakPolarHBondContact O-CG 3.49Å; C106-E110 PolarHBondContact O-N 3.43Å; C106-E110 PolarHBondContact SG-OE1 3.06Å; E110-A112 PolarHBondContact O-N 3.18Å; E110-V113 PolarHBondContact O-N 2.87Å; E110-A114 VanDerWaalsContact O-CB 3.28Å; E110-A114 WeakPolarHBondContact O-CB 3.35Å; E110-A114 PolarHBondContact O-N 3.43Å; E110-P167 HydrophobicContact CB-CB 4.1Å; E110-P167 HydrophobicContact CG-CB 4.27Å; E110-C171 HydrophobicContact CG-CB 4.37Å; E110-C171 PolarHBondContact N-SG 2.95Å
111M91.4Very high85.3Confident144 Ų14474.2 Ų74.271%0.70940%0.4SS*.Hα-helixtrans-61.8-43174.7-172.6179.6-63.400112S107 C109 A114 Y115S107-M111 VanDerWaalsContact O-CB 3.28Å; S107-M111 WeakPolarHBondContact O-CB 3.43Å; S107-M111 PolarHBondContact O-N 2.89Å; C109-M111 VanDerWaalsContact C-N 3.29Å; C109-M111 PolarHBondContact O-N 2.93Å; M111-A114 PolarHBondContact O-N 3Å; M111-Y115 WeakPolarHBondContact O-CB 3.38Å; M111-Y115 PolarHBondContact O-N 3.47Å
112A91.7Very high87.1Confident48 Ų4869.9 Ų69.940%0.39738%0.38SS..Hα-helixtrans-64.1-45.5177.400000111.7T108 C109 E110 A114 Y115 L116T108-A112 WeakPolarHBondContact O-CB 3.3Å; T108-A112 PolarHBondContact O-N 3.48Å; C109-A112 CarbonylContact O-C 3.47Å; C109-A112 WeakPolarHBondContact O-CB 3.3Å; C109-A112 PolarHBondContact O-N 3.27Å; E110-A112 PolarHBondContact O-N 3.18Å; A112-A114 PolarHBondContact O-N 3Å; A112-Y115 WeakPolarHBondContact O-CB 3.4Å; A112-Y115 PolarHBondContact O-N 3.42Å; A112-L116 WeakPolarHBondContact O-CB 3.38Å; A112-L116 VanDerWaalsContact O-CG 3.3Å; A112-L116 WeakPolarHBondContact O-CG 3.37Å; A112-L116 PolarHBondContact O-N 3.39Å
113V90.2Very high88.5Confident8 Ų871.9 Ų71.95%0.04838%0.38CS..Hα-helixtrans-63.8-41.6177.2176.80000110.7C109 E110 Y115 L116 K117 M165 P167 A170 M174C109-V113 WeakPolarHBondContact O-CG2 3.41Å; C109-V113 PolarHBondContact O-N 3.32Å; E110-V113 PolarHBondContact O-N 2.87Å; V113-Y115 VanDerWaalsContact C-N 3.33Å; V113-Y115 PolarHBondContact O-N 3.07Å; V113-L116 PolarHBondContact O-N 3.37Å; V113-K117 WeakPolarHBondContact O-CB 3.47Å; V113-K117 PolarHBondContact O-N 3.01Å; V113-M165 HydrophobicContact CG1-CG 4.15Å; V113-M165 HydrophobicContact CG1-SD 4.11Å; V113-P167 HydrophobicContact CB-CB 4.17Å; V113-P167 HydrophobicContact CG1-CB 4.17Å; V113-P167 HydrophobicContact CG1-CG 4.21Å; V113-A170 HydrophobicContact CG1-CB 4.04Å; V113-A170 HydrophobicContact CG2-CB 3.94Å; V113-M174 HydrophobicContact CG2-CE 3.89Å
114A91.6Very high89.3Confident43 Ų4373.9 Ų73.936%0.35538%0.379SS..Hα-helixtrans-62.3-39.3175.500000112.5E110 M111 A112 T118 P167E110-A114 VanDerWaalsContact O-CB 3.28Å; E110-A114 WeakPolarHBondContact O-CB 3.35Å; E110-A114 PolarHBondContact O-N 3.43Å; M111-A114 PolarHBondContact O-N 3Å; A112-A114 PolarHBondContact O-N 3Å; A114-T118 PolarHBondContact O-N 3.45Å; A114-T118 VanDerWaalsContact O-N 3.14Å; A114-T118 PolarHBondContact O-OG1 3.18Å; A114-P167 HydrophobicContact CB-CG 4.28Å
115Y90.7Very high89.6Confident143 Ų14367.3 Ų67.356%0.56135%0.353SS*.Hα-helixtrans-65.5-48.7174-172.8-100.1000111.3M111 A112 V113 K117 T118 F119M111-Y115 WeakPolarHBondContact O-CB 3.38Å; M111-Y115 PolarHBondContact O-N 3.47Å; A112-Y115 WeakPolarHBondContact O-CB 3.4Å; A112-Y115 PolarHBondContact O-N 3.42Å; V113-Y115 VanDerWaalsContact C-N 3.33Å; V113-Y115 PolarHBondContact O-N 3.07Å; Y115-K117 VanDerWaalsContact C-N 3.27Å; Y115-K117 PolarHBondContact O-N 3.42Å; Y115-T118 WeakPolarHBondContact O-CA 3.14Å; Y115-T118 WeakPolarHBondContact O-CB 3.43Å; Y115-T118 PolarHBondContact O-N 3.18Å; Y115-F119 AromaticContact CD1-CD2 3.71Å; Y115-F119 HydrophobicContact CD1-CD2 3.71Å; Y115-F119 AromaticContact CD1-CE2 3.84Å; Y115-F119 HydrophobicContact CD1-CE2 3.84Å; Y115-F119 HydrophobicContact CD2-CD2 4.38Å; Y115-F119 HydrophobicContact CD2-CE2 4.15Å; Y115-F119 AromaticContact CE1-CD2 3.44Å; Y115-F119 HydrophobicContact CE1-CD2 3.44Å; Y115-F119 VanDerWaalsContact CE1-CD2 3.44Å; Y115-F119 HydrophobicContact CE1-CE1 4.39Å; Y115-F119 AromaticContact CE1-CE2 3.12Å; Y115-F119 HydrophobicContact CE1-CE2 3.12Å; Y115-F119 HydrophobicContact CE1-CG 4.26Å; Y115-F119 AromaticContact CE1-CZ 3.63Å; Y115-F119 HydrophobicContact CE1-CZ 3.63Å; Y115-F119 HydrophobicContact CE2-CD2 4.16Å; Y115-F119 AromaticContact CE2-CE2 3.49Å; Y115-F119 HydrophobicContact CE2-CE2 3.49Å; Y115-F119 VanDerWaalsContact CE2-CE2 3.49Å; Y115-F119 HydrophobicContact CE2-CZ 4.35Å; Y115-F119 HydrophobicContact CG-CD2 4.2Å; Y115-F119 HydrophobicContact CG-CE2 4.32Å; Y115-F119 AromaticContact CZ-CD2 3.72Å; Y115-F119 AromaticContact CZ-CE2 2.94Å; Y115-F119 AromaticContact CZ-CZ 3.46Å; Y115-F119 VanDerWaalsContact CZ-CZ 3.46Å; Y115-F119 WeakPolarHBondContact O-CD2 3.42Å; Y115-F119 PolarHBondContact O-N 3.34Å; Y115-F119 WeakPolarHBondContact OH-CE2 3.36Å; Y115-F119 WeakPolarHBondContact OH-CZ 3.28Å
116L90.5Very high90Very high87 Ų8767.4 Ų67.446%0.45535%0.351SS..Hα-helixtrans-58.1-38.8176.7-72.4172.4000112A112 V113 T118 F119 S120 I162A112-L116 WeakPolarHBondContact O-CB 3.38Å; A112-L116 VanDerWaalsContact O-CG 3.3Å; A112-L116 WeakPolarHBondContact O-CG 3.37Å; A112-L116 PolarHBondContact O-N 3.39Å; V113-L116 PolarHBondContact O-N 3.37Å; L116-T118 VanDerWaalsContact C-N 3.31Å; L116-T118 PolarHBondContact O-N 2.73Å; L116-F119 WeakPolarHBondContact O-CB 3.43Å; L116-F119 PolarHBondContact O-N 2.96Å; L116-S120 WeakPolarHBondContact O-CB 3.32Å; L116-S120 PolarHBondContact O-N 3.43Å; L116-I162 VanDerWaalsContact C-CG2 3.49Å; L116-I162 HydrophobicContact CB-CG2 3.79Å
117K90.2Very high90.3Very high57 Ų5768.6 Ų68.625%0.24836%0.362CS..Hα-helixtrans-66.1-30.6174.8-174.5173.3-171.9164.10113.5V113 Y115 S120 K121 I162 S163 M165V113-K117 WeakPolarHBondContact O-CB 3.47Å; V113-K117 PolarHBondContact O-N 3.01Å; Y115-K117 VanDerWaalsContact C-N 3.27Å; Y115-K117 PolarHBondContact O-N 3.42Å; K117-S120 PolarHBondContact O-OG 3.32Å; K117-K121 WeakPolarHBondContact O-CG 3.27Å; K117-I162 HydrophobicContact CB-CG2 4.49Å; K117-S163 VanDerWaalsContact CE-O 3.24Å; K117-S163 WeakPolarHBondContact CE-O 3.48Å; K117-M165 WeakPolarHBondContact CD-O 3.44Å; K117-M165 PolarHBondContact NZ-O 3.43Å
118T90.2Very high90.4Very high95 Ų9571.3 Ų71.358%0.58337%0.372SS*.Hα-helixtrans-71.7-44.3171-59.60000110.2A114 Y115 L116 S120 K121A114-T118 PolarHBondContact O-N 3.45Å; A114-T118 VanDerWaalsContact O-N 3.14Å; A114-T118 PolarHBondContact O-OG1 3.18Å; Y115-T118 WeakPolarHBondContact O-CA 3.14Å; Y115-T118 WeakPolarHBondContact O-CB 3.43Å; Y115-T118 PolarHBondContact O-N 3.18Å; L116-T118 VanDerWaalsContact C-N 3.31Å; L116-T118 PolarHBondContact O-N 2.73Å; T118-S120 PolarHBondContact O-N 3.46Å; T118-K121 PolarHBondContact O-N 2.73Å
119F88.9Confident90.6Very high90 Ų9071.2 Ų71.240%0.39537%0.37SS..Hα-helixtrans-61.2-41.3177.2-92.7-106.8000112.7Y115 L116 K121 S122 A125Y115-F119 AromaticContact CD1-CD2 3.71Å; Y115-F119 HydrophobicContact CD1-CD2 3.71Å; Y115-F119 AromaticContact CD1-CE2 3.84Å; Y115-F119 HydrophobicContact CD1-CE2 3.84Å; Y115-F119 HydrophobicContact CD2-CD2 4.38Å; Y115-F119 HydrophobicContact CD2-CE2 4.15Å; Y115-F119 AromaticContact CE1-CD2 3.44Å; Y115-F119 HydrophobicContact CE1-CD2 3.44Å; Y115-F119 VanDerWaalsContact CE1-CD2 3.44Å; Y115-F119 HydrophobicContact CE1-CE1 4.39Å; Y115-F119 AromaticContact CE1-CE2 3.12Å; Y115-F119 HydrophobicContact CE1-CE2 3.12Å; Y115-F119 HydrophobicContact CE1-CG 4.26Å; Y115-F119 AromaticContact CE1-CZ 3.63Å; Y115-F119 HydrophobicContact CE1-CZ 3.63Å; Y115-F119 HydrophobicContact CE2-CD2 4.16Å; Y115-F119 AromaticContact CE2-CE2 3.49Å; Y115-F119 HydrophobicContact CE2-CE2 3.49Å; Y115-F119 VanDerWaalsContact CE2-CE2 3.49Å; Y115-F119 HydrophobicContact CE2-CZ 4.35Å; Y115-F119 HydrophobicContact CG-CD2 4.2Å; Y115-F119 HydrophobicContact CG-CE2 4.32Å; Y115-F119 AromaticContact CZ-CD2 3.72Å; Y115-F119 AromaticContact CZ-CE2 2.94Å; Y115-F119 AromaticContact CZ-CZ 3.46Å; Y115-F119 VanDerWaalsContact CZ-CZ 3.46Å; Y115-F119 WeakPolarHBondContact O-CD2 3.42Å; Y115-F119 PolarHBondContact O-N 3.34Å; Y115-F119 WeakPolarHBondContact OH-CE2 3.36Å; Y115-F119 WeakPolarHBondContact OH-CZ 3.28Å; L116-F119 WeakPolarHBondContact O-CB 3.43Å; L116-F119 PolarHBondContact O-N 2.96Å; F119-K121 PolarHBondContact O-N 3.11Å; F119-S122 PolarHBondContact O-N 2.85Å; F119-A125 HydrophobicContact CB-CB 4.44Å; F119-A125 HydrophobicContact CD1-CB 3.74Å; F119-A125 HydrophobicContact CE1-CB 4.4Å; F119-A125 HydrophobicContact CG-CB 4.45Å; F119-A125 WeakPolarHBondContact O-CB 3.01Å
120S89.8Confident90.8Very high10 Ų1073.3 Ų73.37%0.0738%0.38CS..THydrogen-bonded Turntrans-62.9-11.1179.673.20000113.6L116 K117 T118 K126 S163L116-S120 WeakPolarHBondContact O-CB 3.32Å; L116-S120 PolarHBondContact O-N 3.43Å; K117-S120 PolarHBondContact O-OG 3.32Å; T118-S120 PolarHBondContact O-N 3.46Å; S120-K126 WeakPolarHBondContact O-CE 3.04Å; S120-S163 WeakPolarHBondContact OG-CA 3.45Å; S120-S163 WeakPolarHBondContact OG-CB 3.31Å
121K89.9Confident90.9Very high144 Ų14476.8 Ų76.863%0.62640%0.396SS*.THydrogen-bonded Turntrans-98.2-12.1176.7-64.1175.5-176.9-179.70113.7K117 T118 F119K117-K121 WeakPolarHBondContact O-CG 3.27Å; T118-K121 PolarHBondContact O-N 2.73Å; F119-K121 PolarHBondContact O-N 3.11Å
122S91.4Very high90.9Very high38 Ų3871.7 Ų71.727%0.26638%0.377SS..  trans-89.1120.9177.4161.60000109.6F119 E124 A125 K126F119-S122 PolarHBondContact O-N 2.85Å; S122-E124 PolarHBondContact O-N 2.83Å; S122-E124 PolarHBondContact OG-N 3.15Å; S122-E124 PolarHBondContact OG-OE2 3.18Å; S122-A125 PolarHBondContact O-N 3.43Å; S122-A125 PolarHBondContact OG-N 3.42Å; S122-K126 WeakPolarHBondContact O-CG 3.3Å; S122-K126 PolarHBondContact O-N 3.24Å
123E91.7Very high90.9Very high120 Ų12070.6 Ų70.656%0.56137%0.365SS*.Hα-helixtrans-63.3-32.7176-63.9-55.3129.800111.5K126 A127E123-K126 PolarHBondContact O-N 2.95Å; E123-K126 IonicContact OE1-NZ 2.74Å; E123-K126 PolarHBondContact OE1-NZ 3.23Å; E123-K126 IonicContact OE2-NZ 3.92Å; E123-A127 WeakPolarHBondContact O-CB 3.43Å; E123-A127 PolarHBondContact O-N 3.44Å
124E90.9Very high91.1Very high133 Ų13373.9 Ų73.962%0.62138%0.382SS*.Hα-helixtrans-63.2-45.7173.3-56.378.6-171.300111.3S122 A127 I128S122-E124 PolarHBondContact O-N 2.83Å; S122-E124 PolarHBondContact OG-N 3.15Å; S122-E124 PolarHBondContact OG-OE2 3.18Å; E124-A127 PolarHBondContact O-N 3Å; E124-I128 VanDerWaalsContact O-CG1 3.27Å; E124-I128 WeakPolarHBondContact O-CG1 3.39Å; E124-I128 PolarHBondContact O-N 3.29Å
125A88.9Confident91.2Very high11 Ų1176.3 Ų76.39%0.09139%0.385CS..Hα-helixtrans-63.2-43.9177.500000111.7F119 S122 A127 I128 V129F119-A125 HydrophobicContact CB-CB 4.44Å; F119-A125 HydrophobicContact CD1-CB 3.74Å; F119-A125 HydrophobicContact CE1-CB 4.4Å; F119-A125 HydrophobicContact CG-CB 4.45Å; F119-A125 WeakPolarHBondContact O-CB 3.01Å; S122-A125 PolarHBondContact O-N 3.43Å; S122-A125 PolarHBondContact OG-N 3.42Å; A125-A127 PolarHBondContact O-N 2.88Å; A125-I128 PolarHBondContact O-N 2.69Å; A125-V129 WeakPolarHBondContact O-CG2 3.42Å; A125-V129 PolarHBondContact O-N 3.06Å
126K90Very high91.2Very high51 Ų5172.6 Ų72.622%0.22237%0.374CS..Hα-helixtrans-57.2-49.9174.8-62.9-179.8-174.4168.50110.7S120 S122 E123 I128 V129 H130 I159S120-K126 WeakPolarHBondContact O-CE 3.04Å; S122-K126 WeakPolarHBondContact O-CG 3.3Å; S122-K126 PolarHBondContact O-N 3.24Å; E123-K126 PolarHBondContact O-N 2.95Å; E123-K126 IonicContact OE1-NZ 2.74Å; E123-K126 PolarHBondContact OE1-NZ 3.23Å; E123-K126 IonicContact OE2-NZ 3.92Å; K126-I128 VanDerWaalsContact C-N 3.29Å; K126-I128 PolarHBondContact O-N 3.26Å; K126-V129 PolarHBondContact O-N 3.02Å; K126-H130 PolarHBondContact O-CD2 2.03Å; K126-H130 PolarHBondContact O-N 3.02Å; K126-I159 HydrophobicContact CB-CD1 4.31Å; K126-I159 HydrophobicContact CD-CG2 4.14Å; K126-I159 HydrophobicContact CG-CD1 4.08Å; K126-I159 HydrophobicContact CG-CG2 4.1Å
127A92.5Very high91.4Very high43 Ų4368.5 Ų68.536%0.35535%0.353SS..Hα-helixtrans-58.5-40.4179.300000112.5E123 E124 A125 V129 H130 Q131E123-A127 WeakPolarHBondContact O-CB 3.43Å; E123-A127 PolarHBondContact O-N 3.44Å; E124-A127 PolarHBondContact O-N 3Å; A125-A127 PolarHBondContact O-N 2.88Å; A127-V129 VanDerWaalsContact C-N 3.35Å; A127-V129 PolarHBondContact O-N 3.3Å; A127-H130 PolarHBondContact O-N 3.46Å; A127-Q131 WeakPolarHBondContact O-CB 3.44Å; A127-Q131 VanDerWaalsContact O-CG 3.28Å; A127-Q131 WeakPolarHBondContact O-CG 2.97Å; A127-Q131 PolarHBondContact O-N 2.86Å
128I91Very high91.6Very high111 Ų11167.9 Ų67.957%0.56936%0.355SS*.Hα-helixtrans-61.7-42.9175.5-70.5164.2000111.1E124 A125 K126 Q131 A132E124-I128 VanDerWaalsContact O-CG1 3.27Å; E124-I128 WeakPolarHBondContact O-CG1 3.39Å; E124-I128 PolarHBondContact O-N 3.29Å; A125-I128 PolarHBondContact O-N 2.69Å; K126-I128 VanDerWaalsContact C-N 3.29Å; K126-I128 PolarHBondContact O-N 3.26Å; I128-Q131 PolarHBondContact O-N 2.97Å; I128-A132 PolarHBondContact O-N 3.1Å
129V91Very high91.6Very high58 Ų5864.4 Ų64.435%0.35233%0.333SS..Hα-helixtrans-65.7-43.21791780000111.2A125 K126 A127 A132 V133 I155A125-V129 WeakPolarHBondContact O-CG2 3.42Å; A125-V129 PolarHBondContact O-N 3.06Å; K126-V129 PolarHBondContact O-N 3.02Å; A127-V129 VanDerWaalsContact C-N 3.35Å; A127-V129 PolarHBondContact O-N 3.3Å; V129-A132 WeakPolarHBondContact O-CB 3.39Å; V129-A132 PolarHBondContact O-N 3.25Å; V129-V133 PolarHBondContact O-N 3.24Å; V129-I155 HydrophobicContact CB-CG2 4.41Å; V129-I155 HydrophobicContact CG1-CD1 3.76Å; V129-I155 HydrophobicContact CG1-CG1 4.08Å; V129-I155 HydrophobicContact CG1-CG2 3.6Å
130H93.1Very high91.6Very high49 Ų4961 Ų6123%0.22732%0.32CS..Hα-helixtrans-61.3-45.1175.1-77.5-80.7000112.2K126 A127 A132 V133 D134 D156K126-H130 PolarHBondContact O-CD2 2.03Å; K126-H130 PolarHBondContact O-N 3.02Å; A127-H130 PolarHBondContact O-N 3.46Å; H130-A132 VanDerWaalsContact C-N 3.27Å; H130-A132 PolarHBondContact O-N 2.03Å; H130-V133 PolarHBondContact O-N 3.23Å; H130-V133 VanDerWaalsContact O-N 3.14Å; H130-D134 PolarHBondContact O-N 2.87Å; H130-D156 IonicContact CE1-OD1 3.11Å; H130-D156 PolarHBondContact CE1-OD1 3.41Å; H130-D156 IonicContact CE1-OD2 3.99Å; H130-D156 IonicContact NE2-OD1 2.72Å; H130-D156 PolarHBondContact NE2-OD1 3.28Å
131Q93.3Very high91.6Very high130 Ų13062.2 Ų62.261%0.60733%0.334SS*.Hα-helixtrans-60.5-37.8176.4-73.6174.323.800112.2A127 I128 K135A127-Q131 WeakPolarHBondContact O-CB 3.44Å; A127-Q131 VanDerWaalsContact O-CG 3.28Å; A127-Q131 WeakPolarHBondContact O-CG 2.97Å; A127-Q131 PolarHBondContact O-N 2.86Å; I128-Q131 PolarHBondContact O-N 2.97Å; Q131-K135 VanDerWaalsContact O-CB 3.23Å; Q131-K135 WeakPolarHBondContact O-CB 3.28Å; Q131-K135 PolarHBondContact O-N 3.4Å
132A91.2Very high91.7Very high37 Ų3760.1 Ų60.131%0.30634%0.338SS..Hα-helixtrans-64.1-43.5175.500000111.4I128 V129 H130 K135 I136I128-A132 PolarHBondContact O-N 3.1Å; V129-A132 WeakPolarHBondContact O-CB 3.39Å; V129-A132 PolarHBondContact O-N 3.25Å; H130-A132 VanDerWaalsContact C-N 3.27Å; H130-A132 PolarHBondContact O-N 2.03Å; A132-K135 PolarHBondContact O-N 3.15Å; A132-I136 VanDerWaalsContact O-CG1 3.28Å; A132-I136 WeakPolarHBondContact O-CG1 3.38Å; A132-I136 PolarHBondContact O-N 3.25Å
133V93Very high91.7Very high24 Ų2462 Ų6215%0.14534%0.341CS..Hα-helixtrans-62-49.2175168.90000111.4V129 H130 K135 I136 C137 I155V129-V133 PolarHBondContact O-N 3.24Å; H130-V133 PolarHBondContact O-N 3.23Å; H130-V133 VanDerWaalsContact O-N 3.14Å; V133-K135 PolarHBondContact O-N 2.99Å; V133-I136 PolarHBondContact O-N 2.9Å; V133-I136 VanDerWaalsContact O-N 3.15Å; V133-C137 VanDerWaalsContact O-CB 3.32Å; V133-C137 WeakPolarHBondContact O-CB 3.36Å; V133-C137 PolarHBondContact O-N 3.39Å; V133-C137 PolarHBondContact O-SG 3.35Å; V133-I155 HydrophobicContact CG2-CD1 3.99Å; V133-I155 HydrophobicContact CG2-CG1 3.52Å
134D94.1Very high91.7Very high78 Ų7860.7 Ų60.742%0.41734%0.335SS..Hα-helixtrans-59.4-39.5177.9-74.6-30000111.6H130 C137 S138 S148H130-D134 PolarHBondContact O-N 2.87Å; D134-C137 PolarHBondContact O-N 3.28Å; D134-S138 PolarHBondContact O-N 3.5Å; D134-S148 VanDerWaalsContact OD1-CB 3.3Å; D134-S148 WeakPolarHBondContact OD1-CB 3.48Å; D134-S148 PolarHBondContact OD1-OG 2.99Å
135K92.4Very high91.8Very high94 Ų9459.7 Ų59.741%0.40934%0.337SS..Hα-helixtrans-64.6-43.8177.2-17556177.6174.90111.7Y41 Q131 A132 V133 C137 S138 L139Y41-K135 HydrophobicContact CD2-CD 4.44Å; Y41-K135 HydrophobicContact CD2-CG 4.02Å; Y41-K135 HydrophobicContact CE1-CG 4.43Å; Y41-K135 HydrophobicContact CE2-CD 4.09Å; Y41-K135 HydrophobicContact CE2-CG 3.4Å; Q131-K135 VanDerWaalsContact O-CB 3.23Å; Q131-K135 WeakPolarHBondContact O-CB 3.28Å; Q131-K135 PolarHBondContact O-N 3.4Å; A132-K135 PolarHBondContact O-N 3.15Å; V133-K135 PolarHBondContact O-N 2.99Å; K135-C137 VanDerWaalsContact C-N 3.34Å; K135-S138 PolarHBondContact O-N 2.82Å; K135-S138 PolarHBondContact O-OG 2.88Å; K135-L139 WeakPolarHBondContact O-CG 3.34Å
136I91.2Very high91.9Very high64 Ų6464 Ų6433%0.32836%0.356SS..Hα-helixtrans-63.8-43.1174.8-68.4164.1000110.1F34 M38 A132 V133 S138 L139F34-I136 HydrophobicContact CE2-CG2 4.33Å; F34-I136 HydrophobicContact CZ-CG2 4.3Å; M38-I136 HydrophobicContact CE-CG1 4.5Å; M38-I136 HydrophobicContact SD-CG1 4.29Å; M38-I136 HydrophobicContact SD-CG2 4.33Å; A132-I136 VanDerWaalsContact O-CG1 3.28Å; A132-I136 WeakPolarHBondContact O-CG1 3.38Å; A132-I136 PolarHBondContact O-N 3.25Å; V133-I136 PolarHBondContact O-N 2.9Å; V133-I136 VanDerWaalsContact O-N 3.15Å; I136-S138 VanDerWaalsContact C-N 3.32Å; I136-S138 PolarHBondContact O-N 3.44Å; I136-L139 VanDerWaalsContact O-CB 3.29Å; I136-L139 WeakPolarHBondContact O-CB 3.02Å; I136-L139 PolarHBondContact O-N 2.86Å
137C94Very high92Very high2 Ų263.3 Ų63.31%0.01436%0.357CS..Hα-helixtrans-64.1-34.7-179.5-72.80000113.1V133 D134 K135 L139 T140 E144 C147 S148V133-C137 VanDerWaalsContact O-CB 3.32Å; V133-C137 WeakPolarHBondContact O-CB 3.36Å; V133-C137 PolarHBondContact O-N 3.39Å; V133-C137 PolarHBondContact O-SG 3.35Å; D134-C137 PolarHBondContact O-N 3.28Å; K135-C137 VanDerWaalsContact C-N 3.34Å; C137-L139 PolarHBondContact O-N 3.31Å; C137-L139 VanDerWaalsContact O-N 3.1Å; C137-T140 WeakPolarHBondContact O-CB 3.46Å; C137-T140 PolarHBondContact O-N 3.21Å; C137-T140 PolarHBondContact O-OG1 3.33Å; C137-E144 WeakPolarHBondContact O-CA 3.07Å; C137-C147 WeakPolarHBondContact CA-SG 3.44Å; C137-C147 HydrophobicContact CB-CB 3.51Å; C137-C147 WeakPolarHBondContact CB-SG 3.48Å; C137-C147 WeakPolarHBondContact SG-CB 3.41Å; C137-C147 PolarHBondContact SG-O 3.29Å; C137-C147 VanDerWaalsContact SG-O 3.4Å; C137-C147 CovalentContact SG-SG 2.04Å; C137-C147 PolarHBondContact SG-SG 3.14Å; C137-S148 PolarHBondContact SG-N 3.19Å; C137-S148 VanDerWaalsContact SG-N 3.37Å
138S94.2Very high92.1Very high43 Ų4362.7 Ų62.730%0.30135%0.35SS..G310 helixtrans-59.6-20.8172.676.40000113.8D134 K135 I136 T140D134-S138 PolarHBondContact O-N 3.5Å; K135-S138 PolarHBondContact O-N 2.82Å; K135-S138 PolarHBondContact O-OG 2.88Å; I136-S138 VanDerWaalsContact C-N 3.32Å; I136-S138 PolarHBondContact O-N 3.44Å; S138-T140 VanDerWaalsContact C-N 3.29Å
139L91.2Very high92.1Very high23 Ų2364 Ų6412%0.1235%0.352CS..G310 helixtrans-83.6-7.9179.3-48.9-179.8000112.8N37 M38 K135 I136 C137N37-L139 HydrophobicContact CB-CB 3.9Å; N37-L139 HydrophobicContact CB-CD1 4.19Å; N37-L139 HydrophobicContact CB-CD2 4.1Å; N37-L139 HydrophobicContact CB-CG 4.25Å; N37-L139 PolarHBondContact ND2-O 2.8Å; M38-L139 HydrophobicContact CG-CD1 4.07Å; M38-L139 HydrophobicContact SD-CD1 3.45Å; M38-L139 WeakPolarHBondContact SD-CD1 3.47Å; K135-L139 WeakPolarHBondContact O-CG 3.34Å; I136-L139 VanDerWaalsContact O-CB 3.29Å; I136-L139 WeakPolarHBondContact O-CB 3.02Å; I136-L139 PolarHBondContact O-N 2.86Å; C137-L139 PolarHBondContact O-N 3.31Å; C137-L139 VanDerWaalsContact O-N 3.1Å
140T89.1Confident92Very high18 Ų1864.4 Ų64.411%0.1135%0.352CS..G310 helixtrans-88.80.7-17769.40000113.7I28 F34 C137 S138 S142 F143 E144I28-T140 HydrophobicContact CG2-CG2 4.16Å; F34-T140 HydrophobicContact CD2-CG2 4.11Å; F34-T140 HydrophobicContact CE2-CG2 3.98Å; C137-T140 WeakPolarHBondContact O-CB 3.46Å; C137-T140 PolarHBondContact O-N 3.21Å; C137-T140 PolarHBondContact O-OG1 3.33Å; S138-T140 VanDerWaalsContact C-N 3.29Å; T140-S142 PolarHBondContact O-N 2.84Å; T140-F143 PolarHBondContact O-N 3.45Å; T140-F143 VanDerWaalsContact OG1-C 3.31Å; T140-E144 WeakPolarHBondContact OG1-CA 3.45Å; T140-E144 PolarHBondContact OG1-N 2.85Å
141G90.4Very high91.9Very high35 Ų3562.9 Ų62.936%0.36135%0.349SS..G310 helixtrans63.6-116.4176.600000112.5F143 E144G141-F143 PolarHBondContact O-N 3.23Å; G141-E144 WeakPolarHBondContact O-CB 3.27Å; G141-E144 PolarHBondContact O-N 3.35Å; G141-E144 VanDerWaalsContact O-N 3.15Å
142S91.9Very high91.7Very high101 Ų10157.2 Ų57.271%0.70633%0.326SS*.G310 helixtrans-64.1-13.4-175.656.10000114.6T140 Q146T140-S142 PolarHBondContact O-N 2.84Å; S142-Q146 PolarHBondContact O-OE1 2.92Å
143F89.5Confident91.6Very high76 Ų7660.4 Ų60.433%0.33334%0.336SS..G310 helixtrans-97.82.7179.4-63.7-77.1000114.1I28 T140 G141 V145 Q146 C147I28-F143 HydrophobicContact CD1-CB 4.13Å; I28-F143 HydrophobicContact CD1-CD1 4.24Å; I28-F143 HydrophobicContact CD1-CD2 3.41Å; I28-F143 VanDerWaalsContact CD1-CD2 3.41Å; I28-F143 HydrophobicContact CD1-CE2 3.78Å; I28-F143 HydrophobicContact CD1-CG 3.66Å; I28-F143 HydrophobicContact CD1-CZ 4.34Å; I28-F143 HydrophobicContact CG1-CD2 4.05Å; I28-F143 HydrophobicContact CG1-CE2 4.14Å; T140-F143 PolarHBondContact O-N 3.45Å; T140-F143 VanDerWaalsContact OG1-C 3.31Å; G141-F143 PolarHBondContact O-N 3.23Å; F143-V145 VanDerWaalsContact C-N 3.32Å; F143-V145 PolarHBondContact O-N 3.14Å; F143-Q146 PolarHBondContact O-N 3.41Å; F143-Q146 PolarHBondContact O-OE1 3.25Å; F143-C147 VanDerWaalsContact O-CB 3.25Å; F143-C147 WeakPolarHBondContact O-CB 3.28Å; F143-C147 PolarHBondContact O-N 3.24Å
144E92.8Very high91.2Very high93 Ų9362.3 Ų62.344%0.43534%0.342SS..Hα-helixtrans-50.4-50.1-174.8176.1178.1171.400112.3C137 T140 G141 Q146 C147 S148C137-E144 WeakPolarHBondContact O-CA 3.07Å; T140-E144 WeakPolarHBondContact OG1-CA 3.45Å; T140-E144 PolarHBondContact OG1-N 2.85Å; G141-E144 WeakPolarHBondContact O-CB 3.27Å; G141-E144 PolarHBondContact O-N 3.35Å; G141-E144 VanDerWaalsContact O-N 3.15Å; E144-Q146 PolarHBondContact O-N 3.14Å; E144-C147 PolarHBondContact O-N 3.16Å; E144-S148 PolarHBondContact O-N 2.98Å
145V93.3Very high90.9Very high112 Ų11260.2 Ų60.268%0.67933%0.33SS*.Hα-helixtrans-64-44.9-177.2177.70000111.7F143 C147 F149F143-V145 VanDerWaalsContact C-N 3.32Å; F143-V145 PolarHBondContact O-N 3.14Å; V145-C147 VanDerWaalsContact C-N 3.35Å; V145-F149 WeakPolarHBondContact O-CB 2.9Å; V145-F149 PolarHBondContact O-N 3.45Å
146Q91.2Very high90.8Very high102 Ų10259.6 Ų59.648%0.47733%0.332SS..Hα-helixtrans-68.6-38.2179-63.182.4-3.400111S142 F143 E144 L150S142-Q146 PolarHBondContact O-OE1 2.92Å; F143-Q146 PolarHBondContact O-N 3.41Å; F143-Q146 PolarHBondContact O-OE1 3.25Å; E144-Q146 PolarHBondContact O-N 3.14Å; Q146-L150 WeakPolarHBondContact O-CB 3.36Å; Q146-L150 WeakPolarHBondContact O-CG 3.39Å; Q146-L150 PolarHBondContact O-N 3.05Å
147C92.5Very high90.6Very high37 Ų3761.6 Ų61.625%0.2534%0.338CS..Hα-helixtrans-63-50.7176.4-178.50000110.7C137 F143 E144 V145 F149 L150 G151C137-C147 WeakPolarHBondContact CA-SG 3.44Å; C137-C147 HydrophobicContact CB-CB 3.51Å; C137-C147 WeakPolarHBondContact CB-SG 3.48Å; C137-C147 WeakPolarHBondContact SG-CB 3.41Å; C137-C147 PolarHBondContact SG-O 3.29Å; C137-C147 VanDerWaalsContact SG-O 3.4Å; C137-C147 CovalentContact SG-SG 2.04Å; C137-C147 PolarHBondContact SG-SG 3.14Å; F143-C147 VanDerWaalsContact O-CB 3.25Å; F143-C147 WeakPolarHBondContact O-CB 3.28Å; F143-C147 PolarHBondContact O-N 3.24Å; E144-C147 PolarHBondContact O-N 3.16Å; V145-C147 VanDerWaalsContact C-N 3.35Å; C147-F149 VanDerWaalsContact C-N 3.34Å; C147-F149 PolarHBondContact O-N 3.01Å; C147-L150 PolarHBondContact O-N 3.11Å; C147-G151 WeakPolarHBondContact O-CA 3.4Å; C147-G151 PolarHBondContact O-N 3.2Å
148S93.8Very high90.1Very high30 Ų3066 Ų6621%0.2136%0.355CS..Hα-helixtrans-62.7-41.2179.2-80.40000111.8D134 C137 E144 G152D134-S148 VanDerWaalsContact OD1-CB 3.3Å; D134-S148 WeakPolarHBondContact OD1-CB 3.48Å; D134-S148 PolarHBondContact OD1-OG 2.99Å; C137-S148 PolarHBondContact SG-N 3.19Å; C137-S148 VanDerWaalsContact SG-N 3.37Å; E144-S148 PolarHBondContact O-N 2.98Å; S148-G152 PolarHBondContact O-N 1.99Å
149F91.7Very high89.8Confident139 Ų13964.9 Ų64.961%0.6135%0.345SS*.Hα-helixtrans-63.2-51.7177.7178.2-100000112.4V145 C147 M153V145-F149 WeakPolarHBondContact O-CB 2.9Å; V145-F149 PolarHBondContact O-N 3.45Å; C147-F149 VanDerWaalsContact C-N 3.34Å; C147-F149 PolarHBondContact O-N 3.01Å; F149-M153 HydrophobicContact CE1-CE 3.73Å; F149-M153 HydrophobicContact CE2-CE 4.43Å; F149-M153 HydrophobicContact CZ-CE 3.61Å; F149-M153 PolarHBondContact O-N 2.95Å
150L88.7Confident89.6Confident66 Ų6668.4 Ų68.435%0.34636%0.364SS..Hα-helixtrans-67.9-45.7-180-70.5173.9000111Q146 C147 G152 M153 F154Q146-L150 WeakPolarHBondContact O-CB 3.36Å; Q146-L150 WeakPolarHBondContact O-CG 3.39Å; Q146-L150 PolarHBondContact O-N 3.05Å; C147-L150 PolarHBondContact O-N 3.11Å; L150-G152 PolarHBondContact O-N 2.74Å; L150-M153 PolarHBondContact O-N 3.25Å; L150-F154 HydrophobicContact CB-CD2 4.35Å; L150-F154 HydrophobicContact CB-CE2 4.2Å; L150-F154 WeakPolarHBondContact O-CD2 2.83Å; L150-F154 PolarHBondContact O-N 3.37Å
151G89.6Confident89.5Confident16 Ų1670.1 Ų70.117%0.16538%0.375CS..Hα-helixtrans-59-47.2179.600000112C147 M153 F154 I155C147-G151 WeakPolarHBondContact O-CA 3.4Å; C147-G151 PolarHBondContact O-N 3.2Å; G151-M153 PolarHBondContact O-N 3.14Å; G151-F154 PolarHBondContact O-N 3.44Å; G151-I155 WeakPolarHBondContact O-CB 3.38Å; G151-I155 VanDerWaalsContact O-CG1 3.31Å; G151-I155 WeakPolarHBondContact O-CG1 3.36Å; G151-I155 PolarHBondContact O-N 3.49Å
152G90.3Very high89.3Confident12 Ų1270.3 Ų70.312%0.12437%0.367CS..Hα-helixtrans-57.4-49.2175.100000112.3S148 L150 F154 I155 D156S148-G152 PolarHBondContact O-N 1.99Å; L150-G152 PolarHBondContact O-N 2.74Å; G152-F154 VanDerWaalsContact C-N 3.35Å; G152-F154 PolarHBondContact O-N 3.03Å; G152-I155 PolarHBondContact O-N 3.37Å; G152-D156 PolarHBondContact O-N 2.88Å
153M87.9Confident89.1Confident104 Ų10467.2 Ų67.251%0.51235%0.346SS..Hα-helixtrans-60-42177.4-175.1-173.4-59.800112.8F149 L150 G151 K157F149-M153 HydrophobicContact CE1-CE 3.73Å; F149-M153 HydrophobicContact CE2-CE 4.43Å; F149-M153 HydrophobicContact CZ-CE 3.61Å; F149-M153 PolarHBondContact O-N 2.95Å; L150-M153 PolarHBondContact O-N 3.25Å; G151-M153 PolarHBondContact O-N 3.14Å; M153-K157 WeakPolarHBondContact O-CB 3.41Å; M153-K157 PolarHBondContact O-N 2.89Å; M153-K157 VanDerWaalsContact O-N 3.14Å
154F86Confident89Confident64 Ų6469 Ų6928%0.28136%0.363SS..Hα-helixtrans-65.5-45.8176.5-78.1-60.3000111.5L18 L87 L150 G151 G152 K157 Y158L18-F154 HydrophobicContact CD1-CE1 4.35Å; L18-F154 HydrophobicContact CD1-CZ 3.65Å; L87-F154 HydrophobicContact CD1-CE1 4.07Å; L150-F154 HydrophobicContact CB-CD2 4.35Å; L150-F154 HydrophobicContact CB-CE2 4.2Å; L150-F154 WeakPolarHBondContact O-CD2 2.83Å; L150-F154 PolarHBondContact O-N 3.37Å; G151-F154 PolarHBondContact O-N 3.44Å; G152-F154 VanDerWaalsContact C-N 3.35Å; G152-F154 PolarHBondContact O-N 3.03Å; F154-K157 PolarHBondContact O-N 3.19Å; F154-Y158 HydrophobicContact CB-CD2 4.36Å; F154-Y158 HydrophobicContact CB-CE2 4.33Å; F154-Y158 WeakPolarHBondContact O-CD2 3.42Å; F154-Y158 PolarHBondContact O-N 3.2Å
155I88Confident88.7Confident33 Ų3367.4 Ų67.417%0.16936%0.356CS..Hα-helixtrans-59.2-48178.4-74.1-52.1000111.2V129 V133 G151 G152 K157 Y158 I159V129-I155 HydrophobicContact CB-CG2 4.41Å; V129-I155 HydrophobicContact CG1-CD1 3.76Å; V129-I155 HydrophobicContact CG1-CG1 4.08Å; V129-I155 HydrophobicContact CG1-CG2 3.6Å; V133-I155 HydrophobicContact CG2-CD1 3.99Å; V133-I155 HydrophobicContact CG2-CG1 3.52Å; G151-I155 WeakPolarHBondContact O-CB 3.38Å; G151-I155 VanDerWaalsContact O-CG1 3.31Å; G151-I155 WeakPolarHBondContact O-CG1 3.36Å; G151-I155 PolarHBondContact O-N 3.49Å; G152-I155 PolarHBondContact O-N 3.37Å; I155-K157 VanDerWaalsContact C-N 3.29Å; I155-K157 PolarHBondContact O-N 3.48Å; I155-Y158 PolarHBondContact O-N 2.93Å; I155-Y158 VanDerWaalsContact O-N 3.14Å; I155-I159 HydrophobicContact CG2-CD1 3.42Å; I155-I159 VanDerWaalsContact CG2-CD1 3.42Å; I155-I159 HydrophobicContact CG2-CG1 4.22Å; I155-I159 WeakPolarHBondContact O-CB 2.88Å; I155-I159 VanDerWaalsContact O-CG1 3.28Å; I155-I159 WeakPolarHBondContact O-CG1 3.17Å; I155-I159 PolarHBondContact O-N 2.76Å
156D89.1Confident88.5Confident81 Ų8165.6 Ų65.643%0.43334%0.343SS..Hα-helixtrans-55.4-48176.7-73.4-30.5000110.8H130 G152 Y158 I159 D160H130-D156 IonicContact CE1-OD1 3.11Å; H130-D156 PolarHBondContact CE1-OD1 3.41Å; H130-D156 IonicContact CE1-OD2 3.99Å; H130-D156 IonicContact NE2-OD1 2.72Å; H130-D156 PolarHBondContact NE2-OD1 3.28Å; G152-D156 PolarHBondContact O-N 2.88Å; D156-Y158 VanDerWaalsContact C-N 3.35Å; D156-Y158 PolarHBondContact O-N 3.36Å; D156-I159 PolarHBondContact O-N 3.01Å; D156-D160 WeakPolarHBondContact O-CB 3.4Å; D156-D160 PolarHBondContact O-N 3.34Å
157K87.1Confident88.3Confident107 Ų10761.9 Ų61.947%0.46533%0.328SS..Hα-helixtrans-61.9-41.2178.6-176.860.61791790112.5M153 F154 I155 T161M153-K157 WeakPolarHBondContact O-CB 3.41Å; M153-K157 PolarHBondContact O-N 2.89Å; M153-K157 VanDerWaalsContact O-N 3.14Å; F154-K157 PolarHBondContact O-N 3.19Å; I155-K157 VanDerWaalsContact C-N 3.29Å; I155-K157 PolarHBondContact O-N 3.48Å; K157-T161 WeakPolarHBondContact O-CB 3.45Å; K157-T161 PolarHBondContact O-N 3.38Å; K157-T161 PolarHBondContact O-OG1 3.22Å
158Y84.5Confident88.1Confident93 Ų9363.9 Ų63.937%0.36534%0.336SS..Hα-helixtrans-67.7-43177.8-82.2-63.9000111.8F154 I155 D156 T161 I162F154-Y158 HydrophobicContact CB-CD2 4.36Å; F154-Y158 HydrophobicContact CB-CE2 4.33Å; F154-Y158 WeakPolarHBondContact O-CD2 3.42Å; F154-Y158 PolarHBondContact O-N 3.2Å; I155-Y158 PolarHBondContact O-N 2.93Å; I155-Y158 VanDerWaalsContact O-N 3.14Å; D156-Y158 VanDerWaalsContact C-N 3.35Å; D156-Y158 PolarHBondContact O-N 3.36Å; Y158-T161 PolarHBondContact O-N 3.32Å; Y158-I162 WeakPolarHBondContact O-CB 3.34Å; Y158-I162 VanDerWaalsContact O-CG1 3.27Å; Y158-I162 WeakPolarHBondContact O-CG1 3.3Å; Y158-I162 PolarHBondContact O-N 2.91Å
159I88Confident87.6Confident20 Ų2065.5 Ų65.510%0.10335%0.347CS..Hα-helixtrans-60-47.3176.7-71.7168.3000110.2K126 I155 D156 T161 I162 S163K126-I159 HydrophobicContact CB-CD1 4.31Å; K126-I159 HydrophobicContact CD-CG2 4.14Å; K126-I159 HydrophobicContact CG-CD1 4.08Å; K126-I159 HydrophobicContact CG-CG2 4.1Å; I155-I159 HydrophobicContact CG2-CD1 3.42Å; I155-I159 VanDerWaalsContact CG2-CD1 3.42Å; I155-I159 HydrophobicContact CG2-CG1 4.22Å; I155-I159 WeakPolarHBondContact O-CB 2.88Å; I155-I159 VanDerWaalsContact O-CG1 3.28Å; I155-I159 WeakPolarHBondContact O-CG1 3.17Å; I155-I159 PolarHBondContact O-N 2.76Å; D156-I159 PolarHBondContact O-N 3.01Å; I159-T161 VanDerWaalsContact C-N 3.32Å; I159-T161 PolarHBondContact O-N 2.69Å; I159-I162 PolarHBondContact O-N 3.06Å; I159-S163 WeakPolarHBondContact O-CB 3.34Å; I159-S163 PolarHBondContact O-N 3.22Å
160D86.8Confident87.4Confident97 Ų9759.1 Ų59.152%0.51932%0.32SS..Hα-helixtrans-59.7-44175.8-79.1-12.1000111.7D156 S163 T164D156-D160 WeakPolarHBondContact O-CB 3.4Å; D156-D160 PolarHBondContact O-N 3.34Å; D160-S163 PolarHBondContact O-N 3.23Å; D160-S163 PolarHBondContact O-OG 3.33Å; D160-T164 PolarHBondContact O-N 3.33Å; D160-T164 PolarHBondContact O-OG1 3.49Å
161T85.4Confident87.2Confident54 Ų5456 Ų5633%0.33130%0.304SS..Hα-helixtrans-63-49.7179-57.70000111K157 Y158 I159 S163 T164 M165K157-T161 WeakPolarHBondContact O-CB 3.45Å; K157-T161 PolarHBondContact O-N 3.38Å; K157-T161 PolarHBondContact O-OG1 3.22Å; Y158-T161 PolarHBondContact O-N 3.32Å; I159-T161 VanDerWaalsContact C-N 3.32Å; I159-T161 PolarHBondContact O-N 2.69Å; T161-S163 VanDerWaalsContact C-N 3.27Å; T161-S163 PolarHBondContact O-N 3.45Å; T161-T164 PolarHBondContact O-N 2.93Å; T161-T164 PolarHBondContact O-OG1 2.79Å; T161-T164 VanDerWaalsContact O-OG1 3.09Å; T161-M165 HydrophobicContact CG2-CE 3.98Å; T161-M165 WeakPolarHBondContact O-CB 3.4Å; T161-M165 PolarHBondContact O-N 3.39Å
162I86.7Confident86.9Confident39 Ų3959.8 Ų59.820%0.232%0.318CS..Hα-helixtrans-60-37.7177.7-71.6167000111.1L116 K117 Y158 I159 T164 M165L116-I162 VanDerWaalsContact C-CG2 3.49Å; L116-I162 HydrophobicContact CB-CG2 3.79Å; K117-I162 HydrophobicContact CB-CG2 4.49Å; Y158-I162 WeakPolarHBondContact O-CB 3.34Å; Y158-I162 VanDerWaalsContact O-CG1 3.27Å; Y158-I162 WeakPolarHBondContact O-CG1 3.3Å; Y158-I162 PolarHBondContact O-N 2.91Å; I159-I162 PolarHBondContact O-N 3.06Å; I162-T164 PolarHBondContact O-N 2.69Å; I162-M165 WeakPolarHBondContact O-CB 3.36Å; I162-M165 PolarHBondContact O-N 3.09Å
163S87.4Confident86.4Confident37 Ų3763.8 Ų63.826%0.25934%0.34SS..Hα-helixtrans-62.7-28.3-178.381.20000113.6K117 S120 I159 D160 T161K117-S163 VanDerWaalsContact CE-O 3.24Å; K117-S163 WeakPolarHBondContact CE-O 3.48Å; S120-S163 WeakPolarHBondContact OG-CA 3.45Å; S120-S163 WeakPolarHBondContact OG-CB 3.31Å; I159-S163 WeakPolarHBondContact O-CB 3.34Å; I159-S163 PolarHBondContact O-N 3.22Å; D160-S163 PolarHBondContact O-N 3.23Å; D160-S163 PolarHBondContact O-OG 3.33Å; T161-S163 VanDerWaalsContact C-N 3.27Å; T161-S163 PolarHBondContact O-N 3.45Å
164T87.4Confident85.8Confident113 Ų11363.6 Ų63.669%0.69334%0.34SS*.Hα-helixtrans-102-11.5-179.659.40000113D160 T161 I162D160-T164 PolarHBondContact O-N 3.33Å; D160-T164 PolarHBondContact O-OG1 3.49Å; T161-T164 PolarHBondContact O-N 2.93Å; T161-T164 PolarHBondContact O-OG1 2.79Å; T161-T164 VanDerWaalsContact O-OG1 3.09Å; I162-T164 PolarHBondContact O-N 2.69Å
165M86.3Confident85.2Confident60 Ų6064.4 Ų64.430%0.29634%0.344SS..  trans-66.5137.8-176-171.8170.5-83.200112V113 K117 T161 I162 A170V113-M165 HydrophobicContact CG1-CG 4.15Å; V113-M165 HydrophobicContact CG1-SD 4.11Å; K117-M165 WeakPolarHBondContact CD-O 3.44Å; K117-M165 PolarHBondContact NZ-O 3.43Å; T161-M165 HydrophobicContact CG2-CE 3.98Å; T161-M165 WeakPolarHBondContact O-CB 3.4Å; T161-M165 PolarHBondContact O-N 3.39Å; I162-M165 WeakPolarHBondContact O-CB 3.36Å; I162-M165 PolarHBondContact O-N 3.09Å; M165-A170 HydrophobicContact CE-CB 4.43Å; M165-A170 HydrophobicContact CG-CB 3.51Å; M165-A170 HydrophobicContact SD-CB 3.3Å; M165-A170 WeakPolarHBondContact SD-CB 3.24Å
166D89.2Confident84.7Confident74 Ų7466 Ų6640%0.39635%0.352SS..  trans-90.1126.2170174.370.1000109.1D168 S169 A170D166-D168 PolarHBondContact O-N 3Å; D166-D168 PolarHBondContact OD2-N 3.45Å; D166-S169 PolarHBondContact O-N 2.94Å; D166-S169 WeakPolarHBondContact OD2-CB 3.5Å; D166-S169 PolarHBondContact OD2-N 2.96Å; D166-S169 PolarHBondContact OD2-OG 3.47Å; D166-A170 WeakPolarHBondContact O-CB 3.37Å; D166-A170 PolarHBondContact O-N 3.41Å
167P88.9Confident84.2Confident24 Ų2462.7 Ų62.716%0.15634%0.335CS..Hα-helixtrans-53.5-47.1-176.5-28.336000114.1E110 V113 A114 A170 C171E110-P167 HydrophobicContact CB-CB 4.1Å; E110-P167 HydrophobicContact CG-CB 4.27Å; V113-P167 HydrophobicContact CB-CB 4.17Å; V113-P167 HydrophobicContact CG1-CB 4.17Å; V113-P167 HydrophobicContact CG1-CG 4.21Å; A114-P167 HydrophobicContact CB-CG 4.28Å; P167-A170 WeakPolarHBondContact O-CB 3.4Å; P167-A170 PolarHBondContact O-N 3.47Å; P167-C171 WeakPolarHBondContact O-CB 3.44Å; P167-C171 PolarHBondContact O-N 2.75Å; P167-C171 PolarHBondContact O-SG 3.41Å
168D86.3Confident83.6Confident78 Ų7864.3 Ų64.342%0.41736%0.36SS..Hα-helixtrans-62.3-50.1-178.2-55.32.1000109.8D166 A170 C171 M172D166-D168 PolarHBondContact O-N 3Å; D166-D168 PolarHBondContact OD2-N 3.45Å; D168-A170 VanDerWaalsContact C-N 3.32Å; D168-A170 PolarHBondContact O-N 2.98Å; D168-C171 PolarHBondContact O-N 3.35Å; D168-M172 WeakPolarHBondContact O-CG 3.36Å; D168-M172 PolarHBondContact O-N 2.78Å
169S85.2Confident83.6Confident64 Ų6462.9 Ų62.945%0.44836%0.359SS..Hα-helixtrans-60.7-39.6179-56.50000112.6D166 T173D166-S169 PolarHBondContact O-N 2.94Å; D166-S169 WeakPolarHBondContact OD2-CB 3.5Å; D166-S169 PolarHBondContact OD2-N 2.96Å; D166-S169 PolarHBondContact OD2-OG 3.47Å; S169-T173 WeakPolarHBondContact O-CB 3.17Å; S169-T173 PolarHBondContact O-N 3.01Å; S169-T173 PolarHBondContact O-OG1 3.35Å
170A85.8Confident83.3Confident6 Ų665.2 Ų65.25%0.0537%0.373CS..Hα-helixtrans-63.5-46.417700000111.6V113 M165 D166 P167 D168 T173 M174V113-A170 HydrophobicContact CG1-CB 4.04Å; V113-A170 HydrophobicContact CG2-CB 3.94Å; M165-A170 HydrophobicContact CE-CB 4.43Å; M165-A170 HydrophobicContact CG-CB 3.51Å; M165-A170 HydrophobicContact SD-CB 3.3Å; M165-A170 WeakPolarHBondContact SD-CB 3.24Å; D166-A170 WeakPolarHBondContact O-CB 3.37Å; D166-A170 PolarHBondContact O-N 3.41Å; P167-A170 WeakPolarHBondContact O-CB 3.4Å; P167-A170 PolarHBondContact O-N 3.47Å; D168-A170 VanDerWaalsContact C-N 3.32Å; D168-A170 PolarHBondContact O-N 2.98Å; A170-T173 WeakPolarHBondContact O-CB 3.47Å; A170-T173 PolarHBondContact O-N 3.2Å; A170-M174 HydrophobicContact CB-CE 4.11Å; A170-M174 WeakPolarHBondContact O-CE 3.27Å; A170-M174 WeakPolarHBondContact O-CG 3.49Å; A170-M174 PolarHBondContact O-N 2.98Å
171C85.7Confident83.1Confident0 Ų063.4 Ų63.40%037%0.365CS..Hα-helixtrans-73.6-31-175.9-650000112.7C109 E110 P167 D168 H175 M176 C177C109-C171 HydrophobicContact CB-CB 3.76Å; C109-C171 WeakPolarHBondContact CB-SG 3.31Å; C109-C171 WeakPolarHBondContact SG-CA 3.3Å; C109-C171 WeakPolarHBondContact SG-CB 3.36Å; C109-C171 CovalentContact SG-SG 2.03Å; C109-C171 PolarHBondContact SG-SG 2.93Å; E110-C171 HydrophobicContact CG-CB 4.37Å; E110-C171 PolarHBondContact N-SG 2.95Å; P167-C171 WeakPolarHBondContact O-CB 3.44Å; P167-C171 PolarHBondContact O-N 2.75Å; P167-C171 PolarHBondContact O-SG 3.41Å; D168-C171 PolarHBondContact O-N 3.35Å; C171-H175 PolarHBondContact O-N 3.02Å; C171-H175 VanDerWaalsContact O-N 3.15Å; C171-M176 PolarHBondContact O-N 3.31Å; C171-C177 HydrophobicContact CB-CB 4.22Å; C171-C177 WeakPolarHBondContact CB-SG 3.34Å; C171-C177 PolarHBondContact O-N 3.14Å; C171-C177 VanDerWaalsContact O-N 3.11Å
172M82.9Confident83Confident95 Ų9563.9 Ų63.947%0.46837%0.367SS..Hα-helixtrans-64.3-43.4166-71.1178.7-177.900111.7D168 M174 H175 C177D168-M172 WeakPolarHBondContact O-CG 3.36Å; D168-M172 PolarHBondContact O-N 2.78Å; M172-M174 VanDerWaalsContact C-N 3.3Å; M172-M174 PolarHBondContact O-N 3.47Å; M172-H175 PolarHBondContact O-N 3.09Å; M172-H175 PolarHBondContact O-ND1 3.42Å; M172-C177 HydrophobicContact CG-CB 3.87Å
173T80.1Confident82.8Confident96 Ų9665.5 Ų65.559%0.58938%0.377SS*.Hα-helixtrans-63.6-37.2177.8-57.80000111.8S169 A170 H175S169-T173 WeakPolarHBondContact O-CB 3.17Å; S169-T173 PolarHBondContact O-N 3.01Å; S169-T173 PolarHBondContact O-OG1 3.35Å; A170-T173 WeakPolarHBondContact O-CB 3.47Å; A170-T173 PolarHBondContact O-N 3.2Å; T173-H175 PolarHBondContact O-N 3.41Å
174M74.9Confident82.4Confident101 Ų10167.4 Ų67.450%0.49839%0.385SS..THydrogen-bonded Turntrans-80.82.3174.3-67-175.8-73.600113.5C109 V113 A170 M172 M176C109-M174 WeakPolarHBondContact SG-CE 3.42Å; V113-M174 HydrophobicContact CG2-CE 3.89Å; A170-M174 HydrophobicContact CB-CE 4.11Å; A170-M174 WeakPolarHBondContact O-CE 3.27Å; A170-M174 WeakPolarHBondContact O-CG 3.49Å; A170-M174 PolarHBondContact O-N 2.98Å; M172-M174 VanDerWaalsContact C-N 3.3Å; M172-M174 PolarHBondContact O-N 3.47Å; M174-M176 HydrophobicContact CB-CG 4.24Å; M174-M176 PolarHBondContact O-N 3.06Å
175H72.9Confident82.1Confident80 Ų8064.1 Ų64.137%0.3736%0.363SS..THydrogen-bonded Turntrans58.326.9-178.5-53.5-51.6000114.5C171 M172 T173C171-H175 PolarHBondContact O-N 3.02Å; C171-H175 VanDerWaalsContact O-N 3.15Å; M172-H175 PolarHBondContact O-N 3.09Å; M172-H175 PolarHBondContact O-ND1 3.42Å; T173-H175 PolarHBondContact O-N 3.41Å
176M78.8Confident81.8Confident67 Ų6764.5 Ų64.533%0.3337%0.368SS..SBendtrans-91.5-19.5172.8-61-173.575.500112.2L105 C106 C109 C171 M174L105-M176 HydrophobicContact CB-CE 4.46Å; L105-M176 HydrophobicContact CD2-CE 4.37Å; C106-M176 VanDerWaalsContact CA-O 3.28Å; C106-M176 WeakPolarHBondContact CA-O 3.37Å; C106-M176 WeakPolarHBondContact CB-O 3.46Å; C106-M176 PolarHBondContact N-O 3.33Å; C109-M176 HydrophobicContact CB-CB 3.83Å; C109-M176 HydrophobicContact CB-CE 3.87Å; C109-M176 HydrophobicContact CB-CG 4.35Å; C109-M176 HydrophobicContact CB-SD 3.64Å; C109-M176 VanDerWaalsContact SG-SD 3.65Å; C171-M176 PolarHBondContact O-N 3.31Å; M174-M176 HydrophobicContact CB-CG 4.24Å; M174-M176 PolarHBondContact O-N 3.06Å
177C78.4Confident81.2Confident12 Ų1263.7 Ų63.78%0.08137%0.366CS..  trans-115.6152.6168.5-61.50000110.2C106 C171 M172C106-C177 WeakPolarHBondContact CA-SG 3.43Å; C106-C177 HydrophobicContact CB-CB 3.89Å; C106-C177 WeakPolarHBondContact CB-SG 3.42Å; C106-C177 WeakPolarHBondContact SG-CB 3.42Å; C106-C177 CovalentContact SG-SG 2.03Å; C106-C177 PolarHBondContact SG-SG 3.25Å; C171-C177 HydrophobicContact CB-CB 4.22Å; C171-C177 WeakPolarHBondContact CB-SG 3.34Å; C171-C177 PolarHBondContact O-N 3.14Å; C171-C177 VanDerWaalsContact O-N 3.11Å; M172-C177 HydrophobicContact CG-CB 3.87Å
178S74.1Confident80.5Confident141 Ų14167.3 Ų67.399%0.98639%0.385SS*.  trans-82.70174.159.20000112.7

Retrieved 178 of 178 residues in 41.7 ms (Link to these results)

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