G4VAN4_SCHMA Loading...

Cytochrome P450

AlphaFold DB , UniProt , Accession G4VAN4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 126 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
1M66.9Low85.9Confident77 Ų7766.8 Ų66.838%0.37936%0.359SS..  0137.70-167.9177.5-17100106.7S3 I6 V23 L26 E27 I54 S58M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 3.13Å; M1-I6 HydrophobicContact CE-CD1 3.82Å; M1-I6 HydrophobicContact CG-CD1 3.79Å; M1-I6 HydrophobicContact SD-CD1 4.1Å; M1-V23 HydrophobicContact SD-CG1 3.94Å; M1-L26 HydrophobicContact CE-CB 4.38Å; M1-E27 HydrophobicContact CB-CG 4.02Å; M1-E27 VanDerWaalsContact CB-OE1 3.24Å; M1-E27 WeakPolarHBondContact CB-OE1 3.48Å; M1-E27 PolarHBondContact N-OE1 3.15Å; M1-E27 HydrophobicContact SD-CG 4.01Å; M1-I54 HydrophobicContact CE-CG2 3.63Å; M1-S58 WeakPolarHBondContact CE-OG 3.21Å
2N77.8Confident86.3Confident115 Ų11575.8 Ų75.862%0.61540%0.397SS*.  trans-73.188.1-179.1-75.85.7000110.4D4 I5 I6N2-D4 VanDerWaalsContact C-N 3.26Å; N2-D4 PolarHBondContact O-N 2.95Å; N2-I5 HydrophobicContact CB-CD1 3.76Å; N2-I5 HydrophobicContact CB-CG1 3.94Å; N2-I5 PolarHBondContact O-N 3.16Å; N2-I6 PolarHBondContact O-N 3.28Å
3S79.9Confident86.5Confident43 Ų4377.8 Ų77.830%0.30141%0.414SS..Hα-helixtrans-54.6-40.6-179.848.20000111.6M1 I5 I6 V7M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 3.13Å; S3-I5 VanDerWaalsContact C-N 3.28Å; S3-I5 PolarHBondContact O-N 3.19Å; S3-I6 WeakPolarHBondContact O-CA 3.11Å; S3-I6 WeakPolarHBondContact O-CB 3.41Å; S3-I6 PolarHBondContact O-N 2.76Å; S3-V7 WeakPolarHBondContact O-CG2 3.39Å; S3-V7 PolarHBondContact O-N 3.43Å
4D85.8Confident86.9Confident121 Ų12175.6 Ų75.665%0.64740%0.398SS*.Hα-helixtrans-58.6-38.7-177.1-59.1-31.5000113.1N2 I6 S8N2-D4 VanDerWaalsContact C-N 3.26Å; N2-D4 PolarHBondContact O-N 2.95Å; D4-I6 VanDerWaalsContact C-N 3.35Å; D4-S8 WeakPolarHBondContact O-CB 3.33Å; D4-S8 PolarHBondContact O-N 3.12Å; D4-S8 PolarHBondContact O-OG 3.35Å
5I88.2Confident87.2Confident76 Ų7678.4 Ų78.439%0.3941%0.408SS..Hα-helixtrans-78.6-24.2179.4-33.8170.4000111N2 S3 I9 R61N2-I5 HydrophobicContact CB-CD1 3.76Å; N2-I5 HydrophobicContact CB-CG1 3.94Å; N2-I5 PolarHBondContact O-N 3.16Å; S3-I5 VanDerWaalsContact C-N 3.28Å; S3-I5 PolarHBondContact O-N 3.19Å; I5-I9 WeakPolarHBondContact O-CD1 3.24Å; I5-I9 VanDerWaalsContact O-CG1 3.26Å; I5-I9 WeakPolarHBondContact O-CG1 3.45Å; I5-I9 PolarHBondContact O-N 3.32Å; I5-R61 PolarHBondContact O-NH2 3.23Å
6I89.9Confident87.5Confident0 Ų077 Ų770%040%0.403CS..Hα-helixtrans-74.8-46.5173.6-62.9177.7000109.5M1 N2 S3 D4 S8 I9 L10 I19 V23 I54M1-I6 HydrophobicContact CE-CD1 3.82Å; M1-I6 HydrophobicContact CG-CD1 3.79Å; M1-I6 HydrophobicContact SD-CD1 4.1Å; N2-I6 PolarHBondContact O-N 3.28Å; S3-I6 WeakPolarHBondContact O-CA 3.11Å; S3-I6 WeakPolarHBondContact O-CB 3.41Å; S3-I6 PolarHBondContact O-N 2.76Å; D4-I6 VanDerWaalsContact C-N 3.35Å; I6-S8 VanDerWaalsContact C-N 3.31Å; I6-S8 PolarHBondContact O-N 3.49Å; I6-I9 PolarHBondContact O-N 3.31Å; I6-L10 HydrophobicContact CG2-CD1 3.95Å; I6-L10 PolarHBondContact O-N 3.04Å; I6-I19 HydrophobicContact CG2-CG2 3.98Å; I6-V23 HydrophobicContact CB-CG2 4.46Å; I6-V23 HydrophobicContact CD1-CG2 4.11Å; I6-V23 HydrophobicContact CG2-CG2 4.06Å; I6-I54 HydrophobicContact CD1-CG2 4.1Å; I6-I54 HydrophobicContact CG2-CB 4.49Å; I6-I54 HydrophobicContact CG2-CD1 4.46Å; I6-I54 HydrophobicContact CG2-CG1 3.83Å; I6-I54 HydrophobicContact CG2-CG2 4.17Å
7V90.8Very high87.7Confident20 Ų2079.5 Ų79.512%0.12142%0.417CS..Hα-helixtrans-56.3-46.8173.91730000110.3S3 I9 L10 K11 V16 I19 K20S3-V7 WeakPolarHBondContact O-CG2 3.39Å; S3-V7 PolarHBondContact O-N 3.43Å; V7-I9 PolarHBondContact O-N 3.12Å; V7-L10 PolarHBondContact O-N 2.78Å; V7-K11 WeakPolarHBondContact O-CB 3.5Å; V7-K11 WeakPolarHBondContact O-CG 3.33Å; V7-K11 PolarHBondContact O-N 2.74Å; V7-V16 HydrophobicContact CG1-CG1 3.86Å; V7-V16 HydrophobicContact CG1-CG2 4.15Å; V7-I19 HydrophobicContact CG2-CB 4.35Å; V7-I19 HydrophobicContact CG2-CG2 3.72Å; V7-K20 HydrophobicContact CG2-CG 4.41Å
8S90.9Very high87.9Confident70 Ų7079.7 Ų79.749%0.4941%0.414SS..Hα-helixtrans-59.8-32.5-179.8-62.70000113.9D4 I6D4-S8 WeakPolarHBondContact O-CB 3.33Å; D4-S8 PolarHBondContact O-N 3.12Å; D4-S8 PolarHBondContact O-OG 3.35Å; I6-S8 VanDerWaalsContact C-N 3.31Å; I6-S8 PolarHBondContact O-N 3.49Å
9I91.2Very high88.1Confident81 Ų8175.5 Ų75.542%0.41539%0.392SS..Hα-helixtrans-82.3-37.2179.7-67.2169.1000111.5I5 I6 V7 L57I5-I9 WeakPolarHBondContact O-CD1 3.24Å; I5-I9 VanDerWaalsContact O-CG1 3.26Å; I5-I9 WeakPolarHBondContact O-CG1 3.45Å; I5-I9 PolarHBondContact O-N 3.32Å; I6-I9 PolarHBondContact O-N 3.31Å; V7-I9 PolarHBondContact O-N 3.12Å; I9-L57 HydrophobicContact CB-CD1 4.4Å; I9-L57 HydrophobicContact CD1-CD2 4.3Å; I9-L57 HydrophobicContact CG2-CD1 3.89Å; I9-L57 HydrophobicContact CG2-CD2 4.29Å
10L92.6Very high88.3Confident14 Ų1477 Ų777%0.07340%0.396CS..Hα-helixtrans-102.1-10.3-169.5-67.6-179.7000114.5I6 V7 E12 T13 Y14 I19 L50 I54 L57I6-L10 HydrophobicContact CG2-CD1 3.95Å; I6-L10 PolarHBondContact O-N 3.04Å; V7-L10 PolarHBondContact O-N 2.78Å; L10-E12 PolarHBondContact O-N 3.47Å; L10-E12 VanDerWaalsContact O-N 3.08Å; L10-T13 PolarHBondContact O-N 3.32Å; L10-Y14 HydrophobicContact CB-CD2 4.23Å; L10-Y14 HydrophobicContact CD2-CD2 4.39Å; L10-Y14 HydrophobicContact CD2-CE2 4.39Å; L10-Y14 PolarHBondContact O-N 3.24Å; L10-I19 HydrophobicContact CB-CD1 3.72Å; L10-I19 HydrophobicContact CB-CG1 4.22Å; L10-L50 HydrophobicContact CD1-CD1 4.09Å; L10-I54 HydrophobicContact CD1-CD1 4.39Å; L10-I54 HydrophobicContact CD1-CG1 3.49Å; L10-I54 VanDerWaalsContact CD1-CG1 3.49Å; L10-L57 HydrophobicContact CD1-CD1 3.98Å; L10-L57 HydrophobicContact CD2-CD1 4.13Å; L10-L57 HydrophobicContact CG-CD1 3.94Å
11K90.8Very high88.4Confident118 Ų11877.9 Ų77.951%0.51340%0.398SS..THydrogen-bonded Turntrans-58.5-21.4-178.362.4178-176.8175.70114.7V7 T13 V16V7-K11 WeakPolarHBondContact O-CB 3.5Å; V7-K11 WeakPolarHBondContact O-CG 3.33Å; V7-K11 PolarHBondContact O-N 2.74Å; K11-T13 VanDerWaalsContact C-N 3.35Å; K11-V16 HydrophobicContact CB-CG2 4.33Å
12E90.3Very high89.6Confident175 Ų17574.2 Ų74.282%0.81838%0.38SS*.THydrogen-bonded Turntrans-77.4-23.9177.3-66-179.8-178.900112.2L10L10-E12 PolarHBondContact O-N 3.47Å; L10-E12 VanDerWaalsContact O-N 3.08Å
13T89.8Confident90.2Very high101 Ų10169 Ų6962%0.6235%0.352SS*.THydrogen-bonded Turntrans-107.9-29.3-175.9-47.20000112.4L10 K11L10-T13 PolarHBondContact O-N 3.32Å; K11-T13 VanDerWaalsContact C-N 3.35Å
14Y91.6Very high90.7Very high48 Ų4874 Ų7419%0.18837%0.369CS..SBendtrans-133.7150-173.4-58.5-79.8000111.7L10 L50L10-Y14 HydrophobicContact CB-CD2 4.23Å; L10-Y14 HydrophobicContact CD2-CD2 4.39Å; L10-Y14 HydrophobicContact CD2-CE2 4.39Å; L10-Y14 PolarHBondContact O-N 3.24Å; Y14-L50 HydrophobicContact CD1-CB 4.07Å; Y14-L50 HydrophobicContact CD1-CD1 4.1Å; Y14-L50 HydrophobicContact CD1-CD2 4.24Å; Y14-L50 HydrophobicContact CD1-CG 4.37Å; Y14-L50 HydrophobicContact CD2-CD1 3.65Å; Y14-L50 HydrophobicContact CE1-CB 3.83Å; Y14-L50 HydrophobicContact CE1-CD1 4.42Å; Y14-L50 HydrophobicContact CE2-CD1 3.99Å; Y14-L50 HydrophobicContact CG-CD1 3.69Å; Y14-L50 HydrophobicContact CG-CD2 4.39Å; Y14-L50 HydrophobicContact CG-CG 4.42Å
15E91.8Very high90.9Very high117 Ų11769 Ų6955%0.54734%0.342SS..  trans-61.9138.4172.6-70.1160.9-150.500111.2D17 K18 I19E15-D17 PolarHBondContact O-N 2.91Å; E15-K18 HydrophobicContact CB-CB 4.4Å; E15-K18 HydrophobicContact CB-CD 4.25Å; E15-K18 HydrophobicContact CB-CG 4.3Å; E15-K18 PolarHBondContact O-N 3.36Å; E15-K18 IonicContact OE1-NZ 3.9Å; E15-K18 PolarHBondContact OE1-NZ 3.24Å; E15-K18 WeakPolarHBondContact OE2-CD 3.35Å; E15-K18 WeakPolarHBondContact OE2-CE 3.26Å; E15-K18 IonicContact OE2-NZ 2.97Å; E15-K18 PolarHBondContact OE2-NZ 2.83Å; E15-I19 WeakPolarHBondContact O-CG1 3.14Å; E15-I19 PolarHBondContact O-N 2.71Å
16V91.4Very high91Very high56 Ų5665.5 Ų65.534%0.33932%0.324SS..Hα-helixtrans-57.6-37.5-176.9176.50000112.2V7 K11 I19 K20V7-V16 HydrophobicContact CG1-CG1 3.86Å; V7-V16 HydrophobicContact CG1-CG2 4.15Å; K11-V16 HydrophobicContact CB-CG2 4.33Å; V16-I19 PolarHBondContact O-N 3.22Å; V16-K20 HydrophobicContact CG1-CD 4.36Å; V16-K20 WeakPolarHBondContact O-CG 3.37Å; V16-K20 PolarHBondContact O-N 3.36Å
17D91.3Very high90.9Very high119 Ų11969.8 Ų69.864%0.63634%0.344SS*.Hα-helixtrans-68.4-43.4-179.2-64-33.3000111.7E15 I19 K20 E21E15-D17 PolarHBondContact O-N 2.91Å; D17-I19 VanDerWaalsContact C-N 3.29Å; D17-I19 PolarHBondContact O-N 3.19Å; D17-K20 PolarHBondContact O-N 2.92Å; D17-E21 PolarHBondContact O-N 3.06Å
18K91.3Very high90.8Very high83 Ų8375.4 Ų75.436%0.36137%0.366SS..Hα-helixtrans-60.8-38.9173.3-70.3178.4176.7139.70111.7E15 E21 A22 L50E15-K18 HydrophobicContact CB-CB 4.4Å; E15-K18 HydrophobicContact CB-CD 4.25Å; E15-K18 HydrophobicContact CB-CG 4.3Å; E15-K18 PolarHBondContact O-N 3.36Å; E15-K18 IonicContact OE1-NZ 3.9Å; E15-K18 PolarHBondContact OE1-NZ 3.24Å; E15-K18 WeakPolarHBondContact OE2-CD 3.35Å; E15-K18 WeakPolarHBondContact OE2-CE 3.26Å; E15-K18 IonicContact OE2-NZ 2.97Å; E15-K18 PolarHBondContact OE2-NZ 2.83Å; K18-E21 PolarHBondContact O-N 3.46Å; K18-A22 VanDerWaalsContact O-CB 3.24Å; K18-A22 WeakPolarHBondContact O-CB 3.46Å; K18-A22 PolarHBondContact O-N 3.48Å; K18-L50 HydrophobicContact CB-CD2 3.88Å
19I92.2Very high90.7Very high0 Ų076.5 Ų76.50%036%0.363CS..Hα-helixtrans-62.8-47.6176-63163.8000110.3I6 V7 L10 E15 V16 D17 E21 A22 V23 L50 I54I6-I19 HydrophobicContact CG2-CG2 3.98Å; V7-I19 HydrophobicContact CG2-CB 4.35Å; V7-I19 HydrophobicContact CG2-CG2 3.72Å; L10-I19 HydrophobicContact CB-CD1 3.72Å; L10-I19 HydrophobicContact CB-CG1 4.22Å; E15-I19 WeakPolarHBondContact O-CG1 3.14Å; E15-I19 PolarHBondContact O-N 2.71Å; V16-I19 PolarHBondContact O-N 3.22Å; D17-I19 VanDerWaalsContact C-N 3.29Å; D17-I19 PolarHBondContact O-N 3.19Å; I19-E21 VanDerWaalsContact C-N 3.33Å; I19-E21 PolarHBondContact O-N 3.33Å; I19-A22 PolarHBondContact O-N 3.49Å; I19-V23 HydrophobicContact CG2-CG2 4.38Å; I19-V23 VanDerWaalsContact O-CG2 3.28Å; I19-V23 WeakPolarHBondContact O-CG2 3.46Å; I19-V23 PolarHBondContact O-N 3.34Å; I19-L50 HydrophobicContact CG1-CD1 4.11Å; I19-I54 HydrophobicContact CG2-CD1 4.35Å
20K90.9Very high90.4Very high106 Ų10675.7 Ų75.746%0.46136%0.363SS..Hα-helixtrans-62-41.4179.9-74175.5179.1174.30111.8V7 V16 D17 V23 K24V7-K20 HydrophobicContact CG2-CG 4.41Å; V16-K20 HydrophobicContact CG1-CD 4.36Å; V16-K20 WeakPolarHBondContact O-CG 3.37Å; V16-K20 PolarHBondContact O-N 3.36Å; D17-K20 PolarHBondContact O-N 2.92Å; K20-V23 PolarHBondContact O-N 3.43Å; K20-K24 WeakPolarHBondContact O-CG 3.48Å; K20-K24 PolarHBondContact O-N 3.49Å; K20-K24 VanDerWaalsContact O-N 3.11Å
21E90.6Very high90.1Very high96 Ų9679.1 Ų79.145%0.44939%0.388SS..Hα-helixtrans-65.1-46.7176.8-160.9-177.4174.500111.6D17 K18 I19 V23 K24 I25 I46D17-E21 PolarHBondContact O-N 3.06Å; K18-E21 PolarHBondContact O-N 3.46Å; I19-E21 VanDerWaalsContact C-N 3.33Å; I19-E21 PolarHBondContact O-N 3.33Å; E21-V23 VanDerWaalsContact C-N 3.3Å; E21-V23 PolarHBondContact O-N 2.97Å; E21-K24 WeakPolarHBondContact O-CB 3.46Å; E21-K24 PolarHBondContact O-N 2.96Å; E21-K24 VanDerWaalsContact O-N 3.08Å; E21-I25 PolarHBondContact O-N 3.42Å; E21-I25 VanDerWaalsContact O-N 3.09Å; E21-I46 HydrophobicContact CB-CD1 4.12Å; E21-I46 HydrophobicContact CG-CD1 3.67Å
22A91.6Very high90.1Very high0 Ų076.4 Ų76.40%038%0.378CS..Hα-helixtrans-61.6-37.1176.800000112.7K18 I19 I25 L26 I46 L50 L51 I54K18-A22 VanDerWaalsContact O-CB 3.24Å; K18-A22 WeakPolarHBondContact O-CB 3.46Å; K18-A22 PolarHBondContact O-N 3.48Å; I19-A22 PolarHBondContact O-N 3.49Å; A22-I25 PolarHBondContact O-N 3.04Å; A22-L26 WeakPolarHBondContact O-CG 3.24Å; A22-L26 PolarHBondContact O-N 3.23Å; A22-L26 VanDerWaalsContact O-N 3.08Å; A22-I46 HydrophobicContact CB-CG2 3.74Å; A22-L50 HydrophobicContact CB-CD2 3.96Å; A22-L50 HydrophobicContact CB-CG 3.93Å; A22-L51 HydrophobicContact CB-CD2 3.95Å; A22-I54 HydrophobicContact CB-CD1 3.4Å
23V91.5Very high90.1Very high5 Ų569.8 Ų69.83%0.0335%0.35CS..Hα-helixtrans-61.9-45.2172.6169.30000110.7M1 I6 I19 K20 E21 I25 L26 E27 I54M1-V23 HydrophobicContact SD-CG1 3.94Å; I6-V23 HydrophobicContact CB-CG2 4.46Å; I6-V23 HydrophobicContact CD1-CG2 4.11Å; I6-V23 HydrophobicContact CG2-CG2 4.06Å; I19-V23 HydrophobicContact CG2-CG2 4.38Å; I19-V23 VanDerWaalsContact O-CG2 3.28Å; I19-V23 WeakPolarHBondContact O-CG2 3.46Å; I19-V23 PolarHBondContact O-N 3.34Å; K20-V23 PolarHBondContact O-N 3.43Å; E21-V23 VanDerWaalsContact C-N 3.3Å; E21-V23 PolarHBondContact O-N 2.97Å; V23-I25 VanDerWaalsContact C-N 3.31Å; V23-I25 PolarHBondContact O-N 3.41Å; V23-L26 PolarHBondContact O-N 3.45Å; V23-L26 VanDerWaalsContact O-N 3.14Å; V23-E27 HydrophobicContact CG1-CG 4.26Å; V23-E27 WeakPolarHBondContact O-CG 3.44Å; V23-E27 PolarHBondContact O-N 2.82Å; V23-I54 HydrophobicContact CG2-CD1 4.17Å; V23-I54 HydrophobicContact CG2-CG2 4.01Å
24K90.4Very high90.1Very high149 Ų14965 Ų6565%0.64832%0.321SS*.Hα-helixtrans-59.2-40.3177.6-72.3176.1179.8-179.40112.5K20 E21 E27K20-K24 WeakPolarHBondContact O-CG 3.48Å; K20-K24 PolarHBondContact O-N 3.49Å; K20-K24 VanDerWaalsContact O-N 3.11Å; E21-K24 WeakPolarHBondContact O-CB 3.46Å; E21-K24 PolarHBondContact O-N 2.96Å; E21-K24 VanDerWaalsContact O-N 3.08Å; K24-E27 PolarHBondContact O-N 2.82Å
25I88.9Confident89.9Confident15 Ų1569.9 Ų69.98%0.07734%0.343CS..Hα-helixtrans-62.7-46.8175.7-66.9-178.8000110.5E21 A22 V23 E27 K28 F37 V38 E42 I46 L51E21-I25 PolarHBondContact O-N 3.42Å; E21-I25 VanDerWaalsContact O-N 3.09Å; A22-I25 PolarHBondContact O-N 3.04Å; V23-I25 VanDerWaalsContact C-N 3.31Å; V23-I25 PolarHBondContact O-N 3.41Å; I25-E27 VanDerWaalsContact C-N 3.3Å; I25-E27 PolarHBondContact O-N 3.46Å; I25-K28 WeakPolarHBondContact O-CB 3.34Å; I25-K28 PolarHBondContact O-N 2.72Å; I25-F37 HydrophobicContact CG2-CE2 3.99Å; I25-V38 HydrophobicContact CG2-CG2 3.92Å; I25-E42 HydrophobicContact CD1-CB 4.44Å; I25-I46 HydrophobicContact CD1-CD1 3.22Å; I25-I46 HydrophobicContact CG1-CD1 4.34Å; I25-L51 HydrophobicContact CB-CD2 4.34Å; I25-L51 HydrophobicContact CG2-CD2 4.19Å
26L90.9Very high89.8Confident2 Ų273 Ų731%0.0135%0.35CS..Hα-helixtrans-72.6-20.7-177.2-73167000114M1 A22 V23 K28 F29 P30 P34 F37 L51 I54M1-L26 HydrophobicContact CE-CB 4.38Å; A22-L26 WeakPolarHBondContact O-CG 3.24Å; A22-L26 PolarHBondContact O-N 3.23Å; A22-L26 VanDerWaalsContact O-N 3.08Å; V23-L26 PolarHBondContact O-N 3.45Å; V23-L26 VanDerWaalsContact O-N 3.14Å; L26-K28 PolarHBondContact O-N 2.91Å; L26-F29 CarbonylContact O-C 3.31Å; L26-F29 VanDerWaalsContact O-C 3.31Å; L26-F29 PolarHBondContact O-N 2.83Å; L26-P30 WeakPolarHBondContact O-CA 3.32Å; L26-P34 HydrophobicContact CD2-CB 4.42Å; L26-P34 HydrophobicContact CD2-CG 3.75Å; L26-F37 HydrophobicContact CD2-CE1 4.25Å; L26-F37 HydrophobicContact CD2-CZ 3.68Å; L26-L51 HydrophobicContact CD1-CD2 4.02Å; L26-L51 WeakPolarHBondContact CD1-O 3.28Å; L26-L51 HydrophobicContact CD2-CD2 4.48Å; L26-L51 HydrophobicContact CG-CD2 3.97Å; L26-I54 HydrophobicContact CD1-CB 3.55Å; L26-I54 HydrophobicContact CD1-CG2 3.35Å
27E88.5Confident89.7Confident91 Ų9172.2 Ų72.243%0.42534%0.342SS..Hα-helixtrans-67.2-24.8174.2-79.7-171.4151.100113M1 V23 K24 I25 F29M1-E27 HydrophobicContact CB-CG 4.02Å; M1-E27 VanDerWaalsContact CB-OE1 3.24Å; M1-E27 WeakPolarHBondContact CB-OE1 3.48Å; M1-E27 PolarHBondContact N-OE1 3.15Å; M1-E27 HydrophobicContact SD-CG 4.01Å; V23-E27 HydrophobicContact CG1-CG 4.26Å; V23-E27 WeakPolarHBondContact O-CG 3.44Å; V23-E27 PolarHBondContact O-N 2.82Å; K24-E27 PolarHBondContact O-N 2.82Å; I25-E27 VanDerWaalsContact C-N 3.3Å; I25-E27 PolarHBondContact O-N 3.46Å; E27-F29 VanDerWaalsContact C-N 3.32Å; E27-F29 PolarHBondContact O-N 2.71Å
28K87.7Confident89.5Confident137 Ų13767.2 Ų67.260%0.59632%0.316SS*.Hα-helixtrans-61.7-41.1173.8-62.3179.6-176.8171.60111.6I25 L26 E42I25-K28 WeakPolarHBondContact O-CB 3.34Å; I25-K28 PolarHBondContact O-N 2.72Å; L26-K28 PolarHBondContact O-N 2.91Å; K28-E42 IonicContact NZ-OE1 2.81Å
29F88.5Confident89.3Confident94 Ų9468.9 Ų68.941%0.41233%0.329SS..SBendtrans-138.673.2-175.5-59.8-70.4000112.1L26 E27 S31 I32 F37L26-F29 CarbonylContact O-C 3.31Å; L26-F29 VanDerWaalsContact O-C 3.31Å; L26-F29 PolarHBondContact O-N 2.83Å; E27-F29 VanDerWaalsContact C-N 3.32Å; E27-F29 PolarHBondContact O-N 2.71Å; F29-S31 PolarHBondContact O-N 2.86Å; F29-S31 VanDerWaalsContact O-N 3.13Å; F29-I32 HydrophobicContact CB-CB 3.96Å; F29-I32 HydrophobicContact CB-CD1 3.94Å; F29-I32 HydrophobicContact CB-CG1 4Å; F29-I32 HydrophobicContact CD1-CD1 3.77Å; F29-I32 HydrophobicContact CG-CD1 4.04Å; F29-I32 PolarHBondContact O-N 2.93Å; F29-F37 HydrophobicContact CB-CD1 4.18Å; F29-F37 HydrophobicContact CB-CD2 4.44Å; F29-F37 HydrophobicContact CB-CE1 4.07Å; F29-F37 HydrophobicContact CB-CE2 4.35Å; F29-F37 HydrophobicContact CB-CG 4.34Å; F29-F37 HydrophobicContact CB-CZ 4.15Å; F29-F37 HydrophobicContact CD2-CB 4.16Å; F29-F37 HydrophobicContact CD2-CD1 4.47Å; F29-F37 AromaticContact CD2-CD2 3.52Å; F29-F37 HydrophobicContact CD2-CD2 3.52Å; F29-F37 AromaticContact CD2-CE2 3.94Å; F29-F37 HydrophobicContact CD2-CE2 3.94Å; F29-F37 AromaticContact CD2-CG 3.8Å; F29-F37 HydrophobicContact CD2-CG 3.8Å; F29-F37 HydrophobicContact CE2-CD2 4.24Å; F29-F37 HydrophobicContact CG-CD2 4.4Å; F29-F37 HydrophobicContact CG-CG 4.38Å
30P85.8Confident88.7Confident63 Ų6375.2 Ų75.241%0.40936%0.363SS..THydrogen-bonded Turntrans-67.4-21.9-168.625.9-35.4000114.3L26 R62L26-P30 WeakPolarHBondContact O-CA 3.32Å; P30-R62 PolarHBondContact O-NH1 2.91Å; P30-R62 PolarHBondContact O-NH2 3.43Å
31S87.3Confident88.2Confident86 Ų8677.7 Ų77.760%0.60138%0.376SS*.THydrogen-bonded Turntrans-97.2-10.9-179.452.20000113.8F29 Y55F29-S31 PolarHBondContact O-N 2.86Å; F29-S31 VanDerWaalsContact O-N 3.13Å; S31-Y55 PolarHBondContact O-OH 3.01Å
32I88.8Confident87.6Confident61 Ų6175.8 Ų75.831%0.31337%0.367SS..SBendtrans-98.1133.5-176.3-52-175.5000108.4F29 W36 F37 Y55F29-I32 HydrophobicContact CB-CB 3.96Å; F29-I32 HydrophobicContact CB-CD1 3.94Å; F29-I32 HydrophobicContact CB-CG1 4Å; F29-I32 HydrophobicContact CD1-CD1 3.77Å; F29-I32 HydrophobicContact CG-CD1 4.04Å; F29-I32 PolarHBondContact O-N 2.93Å; I32-W36 HydrophobicContact CG2-CB 3.78Å; I32-W36 HydrophobicContact CG2-CG 4.4Å; I32-F37 HydrophobicContact CB-CD1 3.93Å; I32-F37 HydrophobicContact CB-CE1 4.22Å; I32-F37 HydrophobicContact CG2-CD1 3.72Å; I32-F37 HydrophobicContact CG2-CE1 4.4Å; I32-F37 WeakPolarHBondContact O-CE1 3.33Å; I32-Y55 WeakPolarHBondContact O-CD2 3.4Å; I32-Y55 VanDerWaalsContact O-CE2 3.27Å; I32-Y55 WeakPolarHBondContact O-CE2 3.24Å
33P90.5Very high86.8Confident36 Ų3677.6 Ų77.623%0.23438%0.378CS..  trans-65.2141.3173.2-1626.3000111.5K35 W36 F37 Y55P33-K35 HydrophobicContact CB-CG 4.35Å; P33-K35 PolarHBondContact O-N 2.97Å; P33-W36 PolarHBondContact O-N 3.01Å; P33-F37 WeakPolarHBondContact O-CD1 3.4Å; P33-Y55 HydrophobicContact CB-CE1 4.04Å; P33-Y55 HydrophobicContact CG-CE1 4.1Å
34P89.9Confident86.1Confident0 Ų087.7 Ų87.70%042%0.416CS..G310 helixtrans-50.2-38.5-175.1-22.924.6000114.5L26 W36 F37 V38 I48 L51L26-P34 HydrophobicContact CD2-CB 4.42Å; L26-P34 HydrophobicContact CD2-CG 3.75Å; P34-W36 PolarHBondContact O-N 2.91Å; P34-F37 VanDerWaalsContact CA-CE1 3.49Å; P34-F37 PolarHBondContact O-N 3.08Å; P34-F37 VanDerWaalsContact O-N 3.14Å; P34-V38 HydrophobicContact CB-CG2 3.92Å; P34-V38 WeakPolarHBondContact O-CB 2.78Å; P34-V38 WeakPolarHBondContact O-CG2 3.46Å; P34-V38 PolarHBondContact O-N 3.26Å; P34-I48 HydrophobicContact CB-CD1 4.16Å; P34-L51 HydrophobicContact CB-CB 3.85Å; P34-L51 HydrophobicContact CB-CD1 4.5Å; P34-L51 HydrophobicContact CG-CB 3.77Å
35K88.9Confident85.6Confident151 Ų15186.4 Ų86.466%0.65742%0.416SS*.G310 helixtrans-56.2-17.1-179.272.8173.6-171.31710115.4P33P33-K35 HydrophobicContact CB-CG 4.35Å; P33-K35 PolarHBondContact O-N 2.97Å
36W89.2Confident85.4Confident184 Ų18485.8 Ų85.870%0.69741%0.412SS*.G310 helixtrans-98.6-14-176.3-64.296.8000114I32 P33 P34I32-W36 HydrophobicContact CG2-CB 3.78Å; I32-W36 HydrophobicContact CG2-CG 4.4Å; P33-W36 PolarHBondContact O-N 3.01Å; P34-W36 PolarHBondContact O-N 2.91Å
37F88.9Confident85.2Confident38 Ų3888.4 Ų88.417%0.16743%0.431CS..THydrogen-bonded Turntrans-140.4-12-172.974.4-93.5000114.6I25 L26 F29 I32 P33 P34I25-F37 HydrophobicContact CG2-CE2 3.99Å; L26-F37 HydrophobicContact CD2-CE1 4.25Å; L26-F37 HydrophobicContact CD2-CZ 3.68Å; F29-F37 HydrophobicContact CB-CD1 4.18Å; F29-F37 HydrophobicContact CB-CD2 4.44Å; F29-F37 HydrophobicContact CB-CE1 4.07Å; F29-F37 HydrophobicContact CB-CE2 4.35Å; F29-F37 HydrophobicContact CB-CG 4.34Å; F29-F37 HydrophobicContact CB-CZ 4.15Å; F29-F37 HydrophobicContact CD2-CB 4.16Å; F29-F37 HydrophobicContact CD2-CD1 4.47Å; F29-F37 AromaticContact CD2-CD2 3.52Å; F29-F37 HydrophobicContact CD2-CD2 3.52Å; F29-F37 AromaticContact CD2-CE2 3.94Å; F29-F37 HydrophobicContact CD2-CE2 3.94Å; F29-F37 AromaticContact CD2-CG 3.8Å; F29-F37 HydrophobicContact CD2-CG 3.8Å; F29-F37 HydrophobicContact CE2-CD2 4.24Å; F29-F37 HydrophobicContact CG-CD2 4.4Å; F29-F37 HydrophobicContact CG-CG 4.38Å; I32-F37 HydrophobicContact CB-CD1 3.93Å; I32-F37 HydrophobicContact CB-CE1 4.22Å; I32-F37 HydrophobicContact CG2-CD1 3.72Å; I32-F37 HydrophobicContact CG2-CE1 4.4Å; I32-F37 WeakPolarHBondContact O-CE1 3.33Å; P33-F37 WeakPolarHBondContact O-CD1 3.4Å; P34-F37 VanDerWaalsContact CA-CE1 3.49Å; P34-F37 PolarHBondContact O-N 3.08Å; P34-F37 VanDerWaalsContact O-N 3.14Å
38V87.7Confident85.2Confident14 Ų1486.7 Ų86.79%0.08542%0.424CS..  trans-90118.6177.1-176.20000107.9I25 P34 E42 V43 L51I25-V38 HydrophobicContact CG2-CG2 3.92Å; P34-V38 HydrophobicContact CB-CG2 3.92Å; P34-V38 WeakPolarHBondContact O-CB 2.78Å; P34-V38 WeakPolarHBondContact O-CG2 3.46Å; P34-V38 PolarHBondContact O-N 3.26Å; V38-E42 HydrophobicContact CG1-CB 3.56Å; V38-V43 HydrophobicContact CB-CG2 4.24Å; V38-V43 HydrophobicContact CG1-CG2 3.55Å; V38-L51 HydrophobicContact CG1-CD1 3.9Å; V38-L51 HydrophobicContact CG2-CD1 4.26Å
39D86.9Confident85.4Confident118 Ų11884.7 Ų84.763%0.63142%0.42SS*.  trans-71.1157.8178.5-71.1-35.9000111.5E41 E42 V43D39-E41 PolarHBondContact O-N 2.68Å; D39-E41 VanDerWaalsContact O-N 3.07Å; D39-E42 PolarHBondContact O-N 3.39Å; D39-E42 VanDerWaalsContact O-N 3.09Å; D39-V43 WeakPolarHBondContact O-CG2 3.31Å; D39-V43 PolarHBondContact O-N 3.14Å; D39-V43 VanDerWaalsContact O-N 3.07Å
40N79.9Confident85.6Confident134 Ų13480.3 Ų80.372%0.71740%0.401SS*.Hα-helixtrans-57.1-27.9-178.5-73.4-35.6000113.4R44N40-R44 WeakPolarHBondContact O-CG 3.31Å; N40-R44 PolarHBondContact O-N 3.38Å
41E80.4Confident85.9Confident157 Ų15777.3 Ų77.373%0.73438%0.382SS*.Hα-helixtrans-70.8-44.8176.7-65.8-173.5172.300112.1D39 V43 R44 N45D39-E41 PolarHBondContact O-N 2.68Å; D39-E41 VanDerWaalsContact O-N 3.07Å; E41-V43 VanDerWaalsContact C-N 3.3Å; E41-V43 PolarHBondContact O-N 2.92Å; E41-R44 PolarHBondContact O-N 2.86Å; E41-N45 PolarHBondContact O-N 3.33Å
42E76.9Confident86.2Confident57 Ų5775.4 Ų75.427%0.26636%0.364SS..Hα-helixtrans-64-37.8175.5-68.6-173.9153.400110.9I25 K28 V38 D39 R44 N45 I46I25-E42 HydrophobicContact CD1-CB 4.44Å; K28-E42 IonicContact NZ-OE1 2.81Å; V38-E42 HydrophobicContact CG1-CB 3.56Å; D39-E42 PolarHBondContact O-N 3.39Å; D39-E42 VanDerWaalsContact O-N 3.09Å; E42-R44 VanDerWaalsContact C-N 3.3Å; E42-R44 PolarHBondContact O-N 2.77Å; E42-N45 PolarHBondContact O-N 3.28Å; E42-I46 PolarHBondContact O-N 3.04Å
43V76.3Confident86.4Confident38 Ų3874.8 Ų74.823%0.2336%0.362CS..Hα-helixtrans-65.2-30.2175.5176.60000113V38 D39 E41 I46 I48V38-V43 HydrophobicContact CB-CG2 4.24Å; V38-V43 HydrophobicContact CG1-CG2 3.55Å; D39-V43 WeakPolarHBondContact O-CG2 3.31Å; D39-V43 PolarHBondContact O-N 3.14Å; D39-V43 VanDerWaalsContact O-N 3.07Å; E41-V43 VanDerWaalsContact C-N 3.3Å; E41-V43 PolarHBondContact O-N 2.92Å; V43-I46 CarbonylContact C-O 3.41Å; V43-I46 WeakPolarHBondContact CA-O 3.38Å; V43-I46 CarbonylContact O-C 3.33Å; V43-I48 HydrophobicContact CG1-CB 3.86Å; V43-I48 HydrophobicContact CG2-CD1 4.1Å
44R74.9Confident86.5Confident217 Ų21773.1 Ų73.182%0.81935%0.351SS*.Hα-helixtrans-69.4-37.2177.3-79174.8-178.3-167.42111.9N40 E41 E42N40-R44 WeakPolarHBondContact O-CG 3.31Å; N40-R44 PolarHBondContact O-N 3.38Å; E41-R44 PolarHBondContact O-N 2.86Å; E42-R44 VanDerWaalsContact C-N 3.3Å; E42-R44 PolarHBondContact O-N 2.77Å
45N81.3Confident86.7Confident121 Ų12174.8 Ų74.865%0.64736%0.357SS*.Hα-helixtrans-77.1-35.9178.1-65.2-17.7000111.3E41 E42E41-N45 PolarHBondContact O-N 3.33Å; E42-N45 PolarHBondContact O-N 3.28Å
46I84.1Confident86.9Confident2 Ų272.4 Ų72.41%0.0135%0.347CS..SBendtrans-126.9115.5-175-61.5160000109.2E21 A22 I25 E42 V43 I48 L50 L51E21-I46 HydrophobicContact CB-CD1 4.12Å; E21-I46 HydrophobicContact CG-CD1 3.67Å; A22-I46 HydrophobicContact CB-CG2 3.74Å; I25-I46 HydrophobicContact CD1-CD1 3.22Å; I25-I46 HydrophobicContact CG1-CD1 4.34Å; E42-I46 PolarHBondContact O-N 3.04Å; V43-I46 CarbonylContact C-O 3.41Å; V43-I46 WeakPolarHBondContact CA-O 3.38Å; V43-I46 CarbonylContact O-C 3.33Å; I46-I48 PolarHBondContact O-N 3.47Å; I46-L50 HydrophobicContact CG2-CD2 4.14Å; I46-L51 HydrophobicContact CG2-CD1 4.2Å; I46-L51 HydrophobicContact CG2-CD2 4.23Å; I46-L51 HydrophobicContact CG2-CG 3.88Å
47S86.9Confident87Confident58 Ų5864.9 Ų64.941%0.40632%0.321SS..  trans-47.7127.7179.6-178.20000112.3N49 L50 L51S47-N49 PolarHBondContact O-N 2.92Å; S47-N49 VanDerWaalsContact O-N 3.08Å; S47-N49 PolarHBondContact OG-N 3.3Å; S47-L50 WeakPolarHBondContact O-CB 3.37Å; S47-L50 PolarHBondContact O-N 3.44Å; S47-L51 PolarHBondContact O-N 3.18Å
48I88.4Confident87Confident54 Ų5463.4 Ų63.428%0.27732%0.315SS..Hα-helixtrans-56.2-28.3176-16758.8000112.7P34 V43 I46 L51 N52P34-I48 HydrophobicContact CB-CD1 4.16Å; V43-I48 HydrophobicContact CG1-CB 3.86Å; V43-I48 HydrophobicContact CG2-CD1 4.1Å; I46-I48 PolarHBondContact O-N 3.47Å; I48-L51 HydrophobicContact CD1-CD1 4.33Å; I48-N52 WeakPolarHBondContact O-CB 3.39Å; I48-N52 PolarHBondContact O-N 3.04Å; I48-N52 PolarHBondContact O-ND2 2.81Å; I48-N52 VanDerWaalsContact O-ND2 3.11Å
49N91.3Very high87.1Confident96 Ų9669 Ų6951%0.51333%0.334SS..Hα-helixtrans-65.9-44.6176.8-67.5-24.7000111.1S47 L51 N52 D53S47-N49 PolarHBondContact O-N 2.92Å; S47-N49 VanDerWaalsContact O-N 3.08Å; S47-N49 PolarHBondContact OG-N 3.3Å; N49-L51 PolarHBondContact O-N 3.22Å; N49-N52 PolarHBondContact O-N 3.2Å; N49-D53 PolarHBondContact O-N 2.83Å
50L93.5Very high87.2Confident2 Ų270.6 Ų70.61%0.0133%0.332CS..Hα-helixtrans-59.8-47.6176.4173.756.6000111.2L10 Y14 K18 I19 A22 I46 S47 N52 D53 I54L10-L50 HydrophobicContact CD1-CD1 4.09Å; Y14-L50 HydrophobicContact CD1-CB 4.07Å; Y14-L50 HydrophobicContact CD1-CD1 4.1Å; Y14-L50 HydrophobicContact CD1-CD2 4.24Å; Y14-L50 HydrophobicContact CD1-CG 4.37Å; Y14-L50 HydrophobicContact CD2-CD1 3.65Å; Y14-L50 HydrophobicContact CE1-CB 3.83Å; Y14-L50 HydrophobicContact CE1-CD1 4.42Å; Y14-L50 HydrophobicContact CE2-CD1 3.99Å; Y14-L50 HydrophobicContact CG-CD1 3.69Å; Y14-L50 HydrophobicContact CG-CD2 4.39Å; Y14-L50 HydrophobicContact CG-CG 4.42Å; K18-L50 HydrophobicContact CB-CD2 3.88Å; I19-L50 HydrophobicContact CG1-CD1 4.11Å; A22-L50 HydrophobicContact CB-CD2 3.96Å; A22-L50 HydrophobicContact CB-CG 3.93Å; I46-L50 HydrophobicContact CG2-CD2 4.14Å; S47-L50 WeakPolarHBondContact O-CB 3.37Å; S47-L50 PolarHBondContact O-N 3.44Å; L50-N52 VanDerWaalsContact C-N 3.32Å; L50-N52 PolarHBondContact O-N 2.86Å; L50-D53 PolarHBondContact O-N 3.35Å; L50-I54 HydrophobicContact CD1-CD1 3.6Å; L50-I54 HydrophobicContact CD1-CG1 4.02Å; L50-I54 HydrophobicContact CG-CD1 3.92Å; L50-I54 VanDerWaalsContact O-CG1 3.31Å; L50-I54 WeakPolarHBondContact O-CG1 3.44Å; L50-I54 PolarHBondContact O-N 3.48Å
51L92.5Very high87.4Confident0 Ų067.9 Ų67.90%031%0.311CS..Hα-helixtrans-58.9-44.6176.9-72.2164.7000111.7A22 I25 L26 P34 V38 I46 S47 I48 N49 D53 Y55A22-L51 HydrophobicContact CB-CD2 3.95Å; I25-L51 HydrophobicContact CB-CD2 4.34Å; I25-L51 HydrophobicContact CG2-CD2 4.19Å; L26-L51 HydrophobicContact CD1-CD2 4.02Å; L26-L51 WeakPolarHBondContact CD1-O 3.28Å; L26-L51 HydrophobicContact CD2-CD2 4.48Å; L26-L51 HydrophobicContact CG-CD2 3.97Å; P34-L51 HydrophobicContact CB-CB 3.85Å; P34-L51 HydrophobicContact CB-CD1 4.5Å; P34-L51 HydrophobicContact CG-CB 3.77Å; V38-L51 HydrophobicContact CG1-CD1 3.9Å; V38-L51 HydrophobicContact CG2-CD1 4.26Å; I46-L51 HydrophobicContact CG2-CD1 4.2Å; I46-L51 HydrophobicContact CG2-CD2 4.23Å; I46-L51 HydrophobicContact CG2-CG 3.88Å; S47-L51 PolarHBondContact O-N 3.18Å; I48-L51 HydrophobicContact CD1-CD1 4.33Å; N49-L51 PolarHBondContact O-N 3.22Å; L51-D53 PolarHBondContact O-N 3.46Å; L51-Y55 VanDerWaalsContact O-CB 3.31Å; L51-Y55 WeakPolarHBondContact O-CB 3.4Å; L51-Y55 PolarHBondContact O-N 2.96Å
52N93Very high87.6Confident45 Ų4564.6 Ų64.624%0.24129%0.292CS..Hα-helixtrans-64.9-38.7179-80.4-38.3000112.8I48 N49 L50 Y55 K56I48-N52 WeakPolarHBondContact O-CB 3.39Å; I48-N52 PolarHBondContact O-N 3.04Å; I48-N52 PolarHBondContact O-ND2 2.81Å; I48-N52 VanDerWaalsContact O-ND2 3.11Å; N49-N52 PolarHBondContact O-N 3.2Å; L50-N52 VanDerWaalsContact C-N 3.32Å; L50-N52 PolarHBondContact O-N 2.86Å; N52-Y55 PolarHBondContact O-N 3.19Å; N52-K56 WeakPolarHBondContact O-CB 3.49Å; N52-K56 VanDerWaalsContact O-CG 3.24Å; N52-K56 WeakPolarHBondContact O-CG 3.31Å; N52-K56 PolarHBondContact O-N 3.35Å
53D93.5Very high87.9Confident49 Ų4965.4 Ų65.426%0.26230%0.298SS..Hα-helixtrans-71.7-41.3-179.3-72.2-16.9000111.9N49 L50 L51 Y55 K56 L57N49-D53 PolarHBondContact O-N 2.83Å; L50-D53 PolarHBondContact O-N 3.35Å; L51-D53 PolarHBondContact O-N 3.46Å; D53-Y55 VanDerWaalsContact C-N 3.32Å; D53-Y55 PolarHBondContact O-N 2.9Å; D53-K56 PolarHBondContact O-N 3.45Å; D53-K56 IonicContact OD1-NZ 3.23Å; D53-K56 PolarHBondContact OD1-NZ 3.39Å; D53-L57 WeakPolarHBondContact O-CB 3.36Å; D53-L57 WeakPolarHBondContact O-CG 3.36Å; D53-L57 PolarHBondContact O-N 3.32Å
54I93Very high88.1Confident0 Ų068.3 Ų68.30%031%0.312CS..Hα-helixtrans-59.8-44.4171.7-66.1169.8000110.6M1 I6 L10 I19 A22 V23 L26 L50 L57 S58M1-I54 HydrophobicContact CE-CG2 3.63Å; I6-I54 HydrophobicContact CD1-CG2 4.1Å; I6-I54 HydrophobicContact CG2-CB 4.49Å; I6-I54 HydrophobicContact CG2-CD1 4.46Å; I6-I54 HydrophobicContact CG2-CG1 3.83Å; I6-I54 HydrophobicContact CG2-CG2 4.17Å; L10-I54 HydrophobicContact CD1-CD1 4.39Å; L10-I54 HydrophobicContact CD1-CG1 3.49Å; L10-I54 VanDerWaalsContact CD1-CG1 3.49Å; I19-I54 HydrophobicContact CG2-CD1 4.35Å; A22-I54 HydrophobicContact CB-CD1 3.4Å; V23-I54 HydrophobicContact CG2-CD1 4.17Å; V23-I54 HydrophobicContact CG2-CG2 4.01Å; L26-I54 HydrophobicContact CD1-CB 3.55Å; L26-I54 HydrophobicContact CD1-CG2 3.35Å; L50-I54 HydrophobicContact CD1-CD1 3.6Å; L50-I54 HydrophobicContact CD1-CG1 4.02Å; L50-I54 HydrophobicContact CG-CD1 3.92Å; L50-I54 VanDerWaalsContact O-CG1 3.31Å; L50-I54 WeakPolarHBondContact O-CG1 3.44Å; L50-I54 PolarHBondContact O-N 3.48Å; I54-L57 PolarHBondContact O-N 3.13Å; I54-S58 VanDerWaalsContact O-CB 3.31Å; I54-S58 WeakPolarHBondContact O-CB 3.39Å; I54-S58 PolarHBondContact O-N 3.31Å; I54-S58 PolarHBondContact O-OG 3.49Å
55Y93.5Very high88Confident35 Ų3561.2 Ų61.214%0.13730%0.296CS..Hα-helixtrans-59.7-48.3176.4174.3-101.7000111.9S31 I32 P33 L51 N52 D53 S58 R59S31-Y55 PolarHBondContact O-OH 3.01Å; I32-Y55 WeakPolarHBondContact O-CD2 3.4Å; I32-Y55 VanDerWaalsContact O-CE2 3.27Å; I32-Y55 WeakPolarHBondContact O-CE2 3.24Å; P33-Y55 HydrophobicContact CB-CE1 4.04Å; P33-Y55 HydrophobicContact CG-CE1 4.1Å; L51-Y55 VanDerWaalsContact O-CB 3.31Å; L51-Y55 WeakPolarHBondContact O-CB 3.4Å; L51-Y55 PolarHBondContact O-N 2.96Å; N52-Y55 PolarHBondContact O-N 3.19Å; D53-Y55 VanDerWaalsContact C-N 3.32Å; D53-Y55 PolarHBondContact O-N 2.9Å; Y55-S58 PolarHBondContact O-N 3.47Å; Y55-R59 WeakPolarHBondContact O-CB 3.46Å; Y55-R59 PolarHBondContact O-N 2.9Å
56K92.8Very high87Confident101 Ų10165 Ų6544%0.43930%0.301SS..Hα-helixtrans-60.9-47.6178.1-73.4168.5-166.6160.90111.9N52 D53 S58 R59 R60N52-K56 WeakPolarHBondContact O-CB 3.49Å; N52-K56 VanDerWaalsContact O-CG 3.24Å; N52-K56 WeakPolarHBondContact O-CG 3.31Å; N52-K56 PolarHBondContact O-N 3.35Å; D53-K56 PolarHBondContact O-N 3.45Å; D53-K56 IonicContact OD1-NZ 3.23Å; D53-K56 PolarHBondContact OD1-NZ 3.39Å; K56-S58 PolarHBondContact O-N 3.4Å; K56-R59 PolarHBondContact O-N 3.34Å; K56-R60 WeakPolarHBondContact O-CB 3.4Å; K56-R60 WeakPolarHBondContact O-CG 3.27Å; K56-R60 PolarHBondContact O-N 3.08Å
57L91.3Very high85.7Confident27 Ų2770.5 Ų70.514%0.14133%0.33CS..Hα-helixtrans-57.2-41.4178.1-75.4174.1000111.1I9 L10 D53 I54 R60 R61I9-L57 HydrophobicContact CB-CD1 4.4Å; I9-L57 HydrophobicContact CD1-CD2 4.3Å; I9-L57 HydrophobicContact CG2-CD1 3.89Å; I9-L57 HydrophobicContact CG2-CD2 4.29Å; L10-L57 HydrophobicContact CD1-CD1 3.98Å; L10-L57 HydrophobicContact CD2-CD1 4.13Å; L10-L57 HydrophobicContact CG-CD1 3.94Å; D53-L57 WeakPolarHBondContact O-CB 3.36Å; D53-L57 WeakPolarHBondContact O-CG 3.36Å; D53-L57 PolarHBondContact O-N 3.32Å; I54-L57 PolarHBondContact O-N 3.13Å; L57-R60 PolarHBondContact O-N 3.42Å; L57-R61 PolarHBondContact O-N 3.11Å
58S89.2Confident84.2Confident7 Ų776 Ų765%0.04935%0.346CS..Hα-helixtrans-76.9-36.9-175.8-57.30000112.5M1 I54 Y55 K56 R61 R62M1-S58 WeakPolarHBondContact CE-OG 3.21Å; I54-S58 VanDerWaalsContact O-CB 3.31Å; I54-S58 WeakPolarHBondContact O-CB 3.39Å; I54-S58 PolarHBondContact O-N 3.31Å; I54-S58 PolarHBondContact O-OG 3.49Å; Y55-S58 PolarHBondContact O-N 3.47Å; K56-S58 PolarHBondContact O-N 3.4Å; S58-R61 PolarHBondContact O-N 3.14Å; S58-R62 WeakPolarHBondContact O-CG 3.48Å; S58-R62 PolarHBondContact O-N 3.17Å
59R89.6Confident82.4Confident131 Ų13181.4 Ų81.449%0.49437%0.373SS..Hα-helixtrans-59.6-47.3168.8-177.1176.6-178.5-89.8-0.5111.1Y55 K56 R61 R62 I63Y55-R59 WeakPolarHBondContact O-CB 3.46Å; Y55-R59 PolarHBondContact O-N 2.9Å; K56-R59 PolarHBondContact O-N 3.34Å; R59-R61 VanDerWaalsContact C-N 3.32Å; R59-R61 PolarHBondContact O-N 3.36Å; R59-R62 PolarHBondContact O-N 3.23Å; R59-I63 HydrophobicContact CG-CD1 3.95Å; R59-I63 WeakPolarHBondContact O-CG1 3.33Å; R59-I63 PolarHBondContact O-N 2.96Å
60R88.3Confident80.3Confident151 Ų15182.1 Ų82.157%0.5737%0.373SS*.Hα-helixtrans-58.1-44176.5-73.8175.3-174.3164.41.4111.3K56 L57 R62 I63 N64K56-R60 WeakPolarHBondContact O-CB 3.4Å; K56-R60 WeakPolarHBondContact O-CG 3.27Å; K56-R60 PolarHBondContact O-N 3.08Å; L57-R60 PolarHBondContact O-N 3.42Å; R60-R62 PolarHBondContact O-N 3.36Å; R60-I63 PolarHBondContact O-N 3.03Å; R60-N64 WeakPolarHBondContact O-CB 3.42Å; R60-N64 VanDerWaalsContact O-CG 3.25Å; R60-N64 PolarHBondContact O-N 3.28Å
61R85.8Confident78.2Confident78 Ų7890.2 Ų90.229%0.29441%0.411SS..Hα-helixtrans-59.9-45175.8-78.8-163.8178.8125.618.5113.1I5 L57 S58 R59 I63 N64 S65I5-R61 PolarHBondContact O-NH2 3.23Å; L57-R61 PolarHBondContact O-N 3.11Å; S58-R61 PolarHBondContact O-N 3.14Å; R59-R61 VanDerWaalsContact C-N 3.32Å; R59-R61 PolarHBondContact O-N 3.36Å; R61-I63 VanDerWaalsContact C-N 3.33Å; R61-I63 PolarHBondContact O-N 3.48Å; R61-N64 PolarHBondContact O-N 2.94Å; R61-S65 VanDerWaalsContact O-CB 3.24Å; R61-S65 WeakPolarHBondContact O-CB 3.24Å; R61-S65 PolarHBondContact O-N 3.23Å; R61-S65 PolarHBondContact O-OG 3.48Å; R61-S65 VanDerWaalsContact O-OG 3.12Å
62R83.1Confident76Confident87 Ų8798.6 Ų98.633%0.32846%0.455SS..Hα-helixtrans-63.6-38.1178.4-70.6-171.4-59.1-100.97.3113P30 S58 R59 R60 S65 R66P30-R62 PolarHBondContact O-NH1 2.91Å; P30-R62 PolarHBondContact O-NH2 3.43Å; S58-R62 WeakPolarHBondContact O-CG 3.48Å; S58-R62 PolarHBondContact O-N 3.17Å; R59-R62 PolarHBondContact O-N 3.23Å; R60-R62 PolarHBondContact O-N 3.36Å; R62-S65 WeakPolarHBondContact CA-OG 3.46Å; R62-S65 PolarHBondContact O-OG 3.26Å; R62-S65 VanDerWaalsContact O-OG 3.04Å; R62-R66 WeakPolarHBondContact O-CG 3.48Å; R62-R66 PolarHBondContact O-N 2.81Å
63I83.2Confident73.7Confident75 Ų7598.5 Ų98.539%0.38547%0.465SS..Hα-helixtrans-66.8-48.5176.6-66.9167.6000109.5R59 R60 R61 S65 R66 L67R59-I63 HydrophobicContact CG-CD1 3.95Å; R59-I63 WeakPolarHBondContact O-CG1 3.33Å; R59-I63 PolarHBondContact O-N 2.96Å; R60-I63 PolarHBondContact O-N 3.03Å; R61-I63 VanDerWaalsContact C-N 3.33Å; R61-I63 PolarHBondContact O-N 3.48Å; I63-S65 PolarHBondContact O-N 2.99Å; I63-R66 PolarHBondContact O-N 2.97Å; I63-L67 PolarHBondContact O-N 3.41Å
64N80.1Confident70.8Confident98 Ų98102.5 Ų102.552%0.52449%0.491SS..Hα-helixtrans-72.4-28.4-177.4-65.7-3.8000113.1R60 R61 L67R60-N64 WeakPolarHBondContact O-CB 3.42Å; R60-N64 VanDerWaalsContact O-CG 3.25Å; R60-N64 PolarHBondContact O-N 3.28Å; R61-N64 PolarHBondContact O-N 2.94Å; N64-L67 PolarHBondContact O-N 3.41Å
65S72.9Confident68.7Low69 Ų69108.1 Ų108.148%0.48352%0.521SS..Hα-helixtrans-70.8-34.317565.50000111.7R61 R62 I63 L67 K68R61-S65 VanDerWaalsContact O-CB 3.24Å; R61-S65 WeakPolarHBondContact O-CB 3.24Å; R61-S65 PolarHBondContact O-N 3.23Å; R61-S65 PolarHBondContact O-OG 3.48Å; R61-S65 VanDerWaalsContact O-OG 3.12Å; R62-S65 WeakPolarHBondContact CA-OG 3.46Å; R62-S65 PolarHBondContact O-OG 3.26Å; R62-S65 VanDerWaalsContact O-OG 3.04Å; I63-S65 PolarHBondContact O-N 2.99Å; S65-L67 VanDerWaalsContact C-N 3.33Å; S65-K68 PolarHBondContact O-N 3.4Å
66R61.3Low66.1Low200 Ų200115.6 Ų115.676%0.75555%0.554SS**Hα-helixtrans-65.9-36.8174.9-79.8-175.4175.5-149.4-1.7112.1R62 I63 K68 M69R62-R66 WeakPolarHBondContact O-CG 3.48Å; R62-R66 PolarHBondContact O-N 2.81Å; I63-R66 PolarHBondContact O-N 2.97Å; R66-K68 PolarHBondContact O-N 3.42Å; R66-M69 PolarHBondContact O-N 3Å; R66-M69 VanDerWaalsContact O-N 3.16Å
67L57.1Low63.5Low118 Ų118116.5 Ų116.562%0.61857%0.573SS**Hα-helixtrans-62.8-22.3176.7-68.9170.7000113.3I63 N64 S65I63-L67 PolarHBondContact O-N 3.41Å; N64-L67 PolarHBondContact O-N 3.41Å; S65-L67 VanDerWaalsContact C-N 3.33Å
68K54.9Low61.2Low172 Ų172118 Ų11875%0.74859%0.594SS**THydrogen-bonded Turntrans-91.3-8.8177.6-66.4-165.1175.2-165.70114.7S65 R66S65-K68 PolarHBondContact O-N 3.4Å; R66-K68 PolarHBondContact O-N 3.42Å
69M51.2Low59Low169 Ų169126.4 Ų126.483%0.83363%0.633SS**THydrogen-bonded Turntrans-95.9-7.8-180-95.4-165.48300114.3R66 E71R66-M69 PolarHBondContact O-N 3Å; R66-M69 VanDerWaalsContact O-N 3.16Å; M69-E71 VanDerWaalsContact C-N 3.34Å
70E46.9Very low56.6Low110 Ų110127.2 Ų127.251%0.51465%0.648SS.*  trans-93.418.8176.2-67.9-161.6171.600114N72 G73 L75E70-N72 PolarHBondContact O-N 3.37Å; E70-N72 VanDerWaalsContact O-N 3.13Å; E70-G73 PolarHBondContact O-N 3.08Å; E70-G73 VanDerWaalsContact O-N 3.15Å; E70-L75 HydrophobicContact CB-CD1 4.1Å; E70-L75 WeakPolarHBondContact OE2-CD1 3.39Å; E70-L75 WeakPolarHBondContact OE2-CG 3.46Å
71E49.5Very low54.3Low173 Ų173126.4 Ų126.481%0.80866%0.663SS**THydrogen-bonded Turntrans-69.9-1.2174-96.2-179.1165.200114.6M69M69-E71 VanDerWaalsContact C-N 3.34Å
72N46.2Very low52.4Low176 Ų176127.8 Ų127.894%0.94168%0.676SS**THydrogen-bonded Turntrans-118.921.3168.8-74.4-22.9000113.8E70E70-N72 PolarHBondContact O-N 3.37Å; E70-N72 VanDerWaalsContact O-N 3.13Å
73G44.3Very low50.5Low43 Ų43129.8 Ų129.844%0.44370%0.698SS.*SBendtrans-147.361.5-177.600000113.5E70 L75E70-G73 PolarHBondContact O-N 3.08Å; E70-G73 VanDerWaalsContact O-N 3.15Å; G73-L75 PolarHBondContact O-N 3.41Å; G73-L75 VanDerWaalsContact O-N 3.12Å
74T33.7Very low48.7Very low133 Ų133133 Ų13382%0.81671%0.709SS**  trans32.366.5163.2-38.20000115.9
75L47.8Very low47.2Very low117 Ų117136.8 Ų136.861%0.61373%0.729SS**  trans-89.8107.2153.3-81.2175.8000107.4E70 G73 S77E70-L75 HydrophobicContact CB-CD1 4.1Å; E70-L75 WeakPolarHBondContact OE2-CD1 3.39Å; E70-L75 WeakPolarHBondContact OE2-CG 3.46Å; G73-L75 PolarHBondContact O-N 3.41Å; G73-L75 VanDerWaalsContact O-N 3.12Å; L75-S77 PolarHBondContact O-N 2.92Å
76K38.4Very low46.1Very low193 Ų193142 Ų14284%0.83974%0.742SS**  trans-54.8107.4174.2-69.5-165173.3-169.60109.7
77S38.1Very low45.6Very low119 Ų119137.1 Ų137.183%0.83274%0.739SS**  trans-66.9144.9146.7-173.90000108.2L75L75-S77 PolarHBondContact O-N 2.92Å
78G44.4Very low45.3Very low58 Ų58135.8 Ų135.860%0.59874%0.74SS**  trans143.179.9-171.600000106.7D80G78-D80 PolarHBondContact O-N 3.19Å
79E41.3Very low45.4Very low184 Ų184132.2 Ų132.286%0.8673%0.732SS**  36.877.985.8-75.7-177.7157.800109.9
80D40.3Very low45.7Very low149 Ų149128 Ų12880%0.79771%0.712SS**  trans173.394.8130.9-87.9-24.6000107G78 D82G78-D80 PolarHBondContact O-N 3.19Å; D80-D82 PolarHBondContact O-N 3.17Å
81C40Very low46.3Very low134 Ų134133.1 Ų133.191%0.90573%0.727SS**  trans-70.866.1158.7-76.60000108.6V83C81-V83 PolarHBondContact O-N 3.09Å
82D45.1Very low46.8Very low106 Ų106126.5 Ų126.557%0.56770%0.7SS**  trans-82.394.7165.3-152.821.9000105.5D80 K84D80-D82 PolarHBondContact O-N 3.17Å; D82-K84 PolarHBondContact O-N 3.02Å; D82-K84 WeakPolarHBondContact OD2-CE 3.4Å; D82-K84 IonicContact OD2-NZ 2.76Å; D82-K84 PolarHBondContact OD2-NZ 3.11Å
83V43.5Very low48.1Very low129 Ų129123.8 Ų123.878%0.78269%0.691SS**  trans-67.472.1179.8-1750000108.7C81 L85C81-V83 PolarHBondContact O-N 3.09Å; V83-L85 PolarHBondContact O-N 2.99Å
84K46.3Very low49.3Very low143 Ų143131.4 Ų131.462%0.62271%0.708SS**  trans-84107.9162.8-78.8173.9178.7132.20106.4D82 K86D82-K84 PolarHBondContact O-N 3.02Å; D82-K84 WeakPolarHBondContact OD2-CE 3.4Å; D82-K84 IonicContact OD2-NZ 2.76Å; D82-K84 PolarHBondContact OD2-NZ 3.11Å; K84-K86 PolarHBondContact O-N 3.43Å
85L47.5Very low50.9Low177 Ų177127 Ų12793%0.92768%0.68SS**  trans-45.188.8163.8-86.9120.6000109.9V83V83-L85 PolarHBondContact O-N 2.99Å
86K49.8Very low52Low178 Ų178127.1 Ų127.177%0.77468%0.677SS**  trans-114.1107167.5-78.3-173.5176-179.40105.5K84K84-K86 PolarHBondContact O-N 3.43Å
87S52.1Low53.5Low99 Ų99124.7 Ų124.769%0.69267%0.669SS**  trans23.4107.2159-174.50000115V89S87-V89 PolarHBondContact O-N 3.08Å; S87-V89 WeakPolarHBondContact OG-CG2 3.5Å
88S49.6Very low55.3Low90 Ų90125.9 Ų125.963%0.62966%0.661SS**  trans-66.267.1169.343.70000111.1I90S88-I90 PolarHBondContact O-N 3.24Å
89V58.2Low56.4Low96 Ų96125.5 Ų125.558%0.58265%0.645SS**  trans-7799.4160.2-1760000105.4S87 R91S87-V89 PolarHBondContact O-N 3.08Å; S87-V89 WeakPolarHBondContact OG-CG2 3.5Å; V89-R91 VanDerWaalsContact C-N 3.33Å; V89-R91 PolarHBondContact O-N 3.41Å
90I57.2Low57.6Low80 Ų80120.7 Ų120.741%0.4162%0.622SS.*  trans-65.397.2173.3-61.9171.2000106.5S88 S92 I105 I107S88-I90 PolarHBondContact O-N 3.24Å; I90-S92 PolarHBondContact O-N 2.85Å; I90-I105 HydrophobicContact CB-CD1 4.3Å; I90-I105 HydrophobicContact CD1-CG2 4.45Å; I90-I107 HydrophobicContact CD1-CD1 3.56Å
91R58.5Low59Low218 Ų218118 Ų11882%0.82361%0.614SS**  trans-75.498.3167.4-83.6-175.4172.3-177.9-3.4107.6V89V89-R91 VanDerWaalsContact C-N 3.33Å; V89-R91 PolarHBondContact O-N 3.41Å
92S61.6Low60.3Low35 Ų35116.4 Ų116.425%0.24560%0.6CS.*  trans-67.8129.1166.2172.90000108.7I90 Y94 I95I90-S92 PolarHBondContact O-N 2.85Å; S92-Y94 PolarHBondContact O-N 2.94Å; S92-Y94 VanDerWaalsContact O-N 3.14Å; S92-Y94 PolarHBondContact OG-N 3.21Å; S92-I95 PolarHBondContact O-N 3.43Å
93P72Confident61.1Low118 Ų118118 Ų11877%0.76660%0.599SS**THydrogen-bonded Turntrans-68.8-6.7177.828.5-33.7000113.2
94Y69.9Low62Low203 Ų203118.8 Ų118.880%0.79659%0.588SS**THydrogen-bonded Turntrans-109.9-5.6-178.2-55.7-71.8000114S92S92-Y94 PolarHBondContact O-N 2.94Å; S92-Y94 VanDerWaalsContact O-N 3.14Å; S92-Y94 PolarHBondContact OG-N 3.21Å
95I67.1Low62.9Low42 Ų42113.5 Ų113.522%0.21557%0.567CS.*  trans-113.2110-176.4-60.8173.9000106.9S92 D99 K100 Y103S92-I95 PolarHBondContact O-N 3.43Å; I95-D99 HydrophobicContact CB-CB 4.33Å; I95-D99 HydrophobicContact CG2-CB 3.54Å; I95-K100 HydrophobicContact CG2-CG 3.97Å; I95-Y103 HydrophobicContact CD1-CG 4.33Å
96Q70.9Confident64Low118 Ų118110.2 Ų110.255%0.55156%0.556SS**  trans-71.3166.9171.7-60.9-174.7-23.600110.2E98 D99 K100Q96-E98 PolarHBondContact O-N 2.93Å; Q96-D99 WeakPolarHBondContact CB-OD2 3.47Å; Q96-D99 PolarHBondContact N-OD2 3.05Å; Q96-D99 WeakPolarHBondContact O-CB 3.41Å; Q96-D99 PolarHBondContact O-N 2.93Å; Q96-K100 PolarHBondContact O-N 3.14Å
97E70.6Confident65.1Low143 Ų143105.8 Ų105.867%0.66854%0.54SS*.THydrogen-bonded Turntrans-56.4-36.3-179.7-152.780.3-153.300111.5D99 K100E97-D99 VanDerWaalsContact C-N 3.34Å; E97-K100 WeakPolarHBondContact O-CB 3.36Å; E97-K100 PolarHBondContact O-N 2.99Å; E97-K100 IonicContact OE1-NZ 2.68Å; E97-K100 PolarHBondContact OE1-NZ 3.41Å; E97-K100 IonicContact OE2-NZ 2.91Å; E97-K100 PolarHBondContact OE2-NZ 2.64Å
98E74.9Confident65.9Low144 Ų144104.1 Ų104.167%0.67352%0.523SS*.G310 helixtrans-64.3-36.3176.2-54.6155.6-129.200112.4Q96 K100 S101Q96-E98 PolarHBondContact O-N 2.93Å; E98-K100 VanDerWaalsContact C-N 3.28Å; E98-K100 PolarHBondContact O-N 2.89Å; E98-S101 PolarHBondContact O-OG 3.05Å
99D69.1Low66.8Low49 Ų49102.6 Ų102.626%0.26251%0.51SS..G310 helixtrans-75.8-18.3-177-66.1-41.6000112.1I95 Q96 E97 S101 T102 Y103I95-D99 HydrophobicContact CB-CB 4.33Å; I95-D99 HydrophobicContact CG2-CB 3.54Å; Q96-D99 WeakPolarHBondContact CB-OD2 3.47Å; Q96-D99 PolarHBondContact N-OD2 3.05Å; Q96-D99 WeakPolarHBondContact O-CB 3.41Å; Q96-D99 PolarHBondContact O-N 2.93Å; E97-D99 VanDerWaalsContact C-N 3.34Å; D99-S101 PolarHBondContact O-N 3.24Å; D99-T102 WeakPolarHBondContact O-CA 3.4Å; D99-T102 WeakPolarHBondContact O-CB 3.44Å; D99-T102 PolarHBondContact O-N 3.46Å; D99-Y103 HydrophobicContact CB-CD2 3.91Å; D99-Y103 HydrophobicContact CB-CE2 4.25Å; D99-Y103 WeakPolarHBondContact O-CD2 3.35Å; D99-Y103 PolarHBondContact O-N 3.42Å
100K66.4Low67.6Low84 Ų84105.1 Ų105.137%0.36551%0.513SS..G310 helixtrans-62.1-27.2-177.1-65.6-178.8-172.7169.40113.1I95 Q96 E97 E98 T102I95-K100 HydrophobicContact CG2-CG 3.97Å; Q96-K100 PolarHBondContact O-N 3.14Å; E97-K100 WeakPolarHBondContact O-CB 3.36Å; E97-K100 PolarHBondContact O-N 2.99Å; E97-K100 IonicContact OE1-NZ 2.68Å; E97-K100 PolarHBondContact OE1-NZ 3.41Å; E97-K100 IonicContact OE2-NZ 2.91Å; E97-K100 PolarHBondContact OE2-NZ 2.64Å; E98-K100 VanDerWaalsContact C-N 3.28Å; E98-K100 PolarHBondContact O-N 2.89Å; K100-T102 VanDerWaalsContact C-N 3.3Å
101S68.5Low68.6Low91 Ų91105.4 Ų105.464%0.63651%0.512SS*.G310 helixtrans-70.9-28.8173.855.90000112.6E98 D99 W104E98-S101 PolarHBondContact O-OG 3.05Å; D99-S101 PolarHBondContact O-N 3.24Å; S101-W104 PolarHBondContact O-NE1 2.95Å
102T68.5Low69.4Low101 Ų10197.1 Ų97.162%0.6249%0.485SS*.THydrogen-bonded Turntrans-88.4-45.1-177.2-52.50000111D99 K100 W104D99-T102 WeakPolarHBondContact O-CA 3.4Å; D99-T102 WeakPolarHBondContact O-CB 3.44Å; D99-T102 PolarHBondContact O-N 3.46Å; K100-T102 VanDerWaalsContact C-N 3.3Å; T102-W104 PolarHBondContact O-N 2.92Å
103Y60.6Low70.2Confident139 Ų13998.9 Ų98.955%0.54549%0.494SS..  trans-98.786.5-179.6-62.3-84.2000109.4I95 D99 I105I95-Y103 HydrophobicContact CD1-CG 4.33Å; D99-Y103 HydrophobicContact CB-CD2 3.91Å; D99-Y103 HydrophobicContact CB-CE2 4.25Å; D99-Y103 WeakPolarHBondContact O-CD2 3.35Å; D99-Y103 PolarHBondContact O-N 3.42Å; Y103-I105 PolarHBondContact O-N 3.46Å
104W62.7Low70.6Confident146 Ų14695.1 Ų95.155%0.55347%0.471SS*.  trans-65.4109.2165.2-74.156.9000108.3S101 T102 V109 T112S101-W104 PolarHBondContact O-NE1 2.95Å; T102-W104 PolarHBondContact O-N 2.92Å; W104-V109 HydrophobicContact CB-CG2 3.43Å; W104-V109 VanDerWaalsContact CB-CG2 3.43Å; W104-V109 HydrophobicContact CD2-CG2 4.36Å; W104-V109 HydrophobicContact CE3-CB 4.39Å; W104-V109 HydrophobicContact CE3-CG2 3.86Å; W104-V109 HydrophobicContact CG-CG2 4.26Å; W104-T112 HydrophobicContact CH2-CG2 4.18Å; W104-T112 HydrophobicContact CZ3-CG2 3.96Å
105I64.9Low71.1Confident33 Ų3391 Ų9117%0.16946%0.459CS..  trans-56.8130172.2-58.2177.6000106.4I90 Y103 I107 D108 V109I90-I105 HydrophobicContact CB-CD1 4.3Å; I90-I105 HydrophobicContact CD1-CG2 4.45Å; Y103-I105 PolarHBondContact O-N 3.46Å; I105-I107 HydrophobicContact CG2-CB 4.33Å; I105-I107 PolarHBondContact O-N 3.36Å; I105-D108 HydrophobicContact CB-CB 4.31Å; I105-D108 WeakPolarHBondContact O-CA 3.31Å; I105-D108 WeakPolarHBondContact O-CB 3.4Å; I105-D108 PolarHBondContact O-N 2.96Å; I105-V109 PolarHBondContact O-N 2.91Å
106P71.4Confident71.5Confident107 Ų10793.3 Ų93.370%0.69547%0.472SS*.Hα-helixtrans-52.3-32.4-175.5-30.735.2000114.2V109 F110P106-V109 PolarHBondContact O-N 3.01Å; P106-F110 WeakPolarHBondContact O-CB 3.41Å; P106-F110 PolarHBondContact O-N 2.76Å
107I72.2Confident71.8Confident86 Ų8693.6 Ų93.644%0.44147%0.473SS..Hα-helixtrans-66.2-38.5174.1-73.2167.1000111.9I90 I105 F110 K111I90-I107 HydrophobicContact CD1-CD1 3.56Å; I105-I107 HydrophobicContact CG2-CB 4.33Å; I105-I107 PolarHBondContact O-N 3.36Å; I107-F110 PolarHBondContact O-N 2.99Å; I107-K111 HydrophobicContact CG2-CD 4.37Å; I107-K111 WeakPolarHBondContact O-CG 3.3Å; I107-K111 PolarHBondContact O-N 3.18Å
108D69.4Low72Confident63 Ų6391.7 Ų91.734%0.33747%0.467SS..Hα-helixtrans-73.6-36.4178-64.7-26.3000111I105 F110 K111 T112I105-D108 HydrophobicContact CB-CB 4.31Å; I105-D108 WeakPolarHBondContact O-CA 3.31Å; I105-D108 WeakPolarHBondContact O-CB 3.4Å; I105-D108 PolarHBondContact O-N 2.96Å; D108-F110 VanDerWaalsContact C-N 3.32Å; D108-F110 PolarHBondContact O-N 3.42Å; D108-K111 PolarHBondContact O-N 3.41Å; D108-T112 WeakPolarHBondContact O-CB 3.45Å; D108-T112 PolarHBondContact O-N 3.44Å; D108-T112 PolarHBondContact O-OG1 3.05Å
109V68.8Low72.1Confident58 Ų5890.5 Ų90.535%0.35246%0.461SS..Hα-helixtrans-55.8-50.5167.1-176.30000109.9W104 I105 P106 K111 T112 V113W104-V109 HydrophobicContact CB-CG2 3.43Å; W104-V109 VanDerWaalsContact CB-CG2 3.43Å; W104-V109 HydrophobicContact CD2-CG2 4.36Å; W104-V109 HydrophobicContact CE3-CB 4.39Å; W104-V109 HydrophobicContact CE3-CG2 3.86Å; W104-V109 HydrophobicContact CG-CG2 4.26Å; I105-V109 PolarHBondContact O-N 2.91Å; P106-V109 PolarHBondContact O-N 3.01Å; V109-K111 PolarHBondContact O-N 3.07Å; V109-T112 PolarHBondContact O-N 3.07Å; V109-V113 HydrophobicContact CG1-CG2 4.22Å; V109-V113 VanDerWaalsContact O-CG2 3.3Å; V109-V113 WeakPolarHBondContact O-CG2 3.39Å; V109-V113 PolarHBondContact O-N 3.49Å
110F75Confident72.4Confident149 Ų14991 Ų9165%0.65447%0.473SS*.Hα-helixtrans-59.4-49.2-178.7-172.2-92.9000111.7P106 I107 D108 T112 V113 S114P106-F110 WeakPolarHBondContact O-CB 3.41Å; P106-F110 PolarHBondContact O-N 2.76Å; I107-F110 PolarHBondContact O-N 2.99Å; D108-F110 VanDerWaalsContact C-N 3.32Å; D108-F110 PolarHBondContact O-N 3.42Å; F110-T112 VanDerWaalsContact C-N 3.32Å; F110-T112 PolarHBondContact O-N 3.33Å; F110-V113 PolarHBondContact O-N 3.19Å; F110-S114 WeakPolarHBondContact O-CB 3.48Å; F110-S114 PolarHBondContact O-N 2.9Å; F110-S114 PolarHBondContact O-OG 3.31Å; F110-S114 VanDerWaalsContact O-OG 3.04Å
111K77.8Confident72.7Confident87 Ų8793.4 Ų93.438%0.37849%0.485SS..Hα-helixtrans-57.9-44.1176.8-75.7175.1-177.4170.50112.1I107 D108 V109 S114 Q115I107-K111 HydrophobicContact CG2-CD 4.37Å; I107-K111 WeakPolarHBondContact O-CG 3.3Å; I107-K111 PolarHBondContact O-N 3.18Å; D108-K111 PolarHBondContact O-N 3.41Å; V109-K111 PolarHBondContact O-N 3.07Å; K111-S114 PolarHBondContact O-N 3.09Å; K111-Q115 WeakPolarHBondContact O-CB 3.45Å; K111-Q115 VanDerWaalsContact O-CG 3.31Å; K111-Q115 WeakPolarHBondContact O-CG 3.39Å; K111-Q115 PolarHBondContact O-N 3.07Å
112T76.1Confident73.1Confident43 Ų4397.3 Ų97.326%0.26449%0.49SS..Hα-helixtrans-67.1-43-178.2-45.60000111.1W104 D108 V109 F110 Q115 N116W104-T112 HydrophobicContact CH2-CG2 4.18Å; W104-T112 HydrophobicContact CZ3-CG2 3.96Å; D108-T112 WeakPolarHBondContact O-CB 3.45Å; D108-T112 PolarHBondContact O-N 3.44Å; D108-T112 PolarHBondContact O-OG1 3.05Å; V109-T112 PolarHBondContact O-N 3.07Å; F110-T112 VanDerWaalsContact C-N 3.32Å; F110-T112 PolarHBondContact O-N 3.33Å; T112-Q115 PolarHBondContact O-N 3.35Å; T112-N116 WeakPolarHBondContact O-CB 3.44Å; T112-N116 PolarHBondContact O-N 3.48Å; T112-N116 PolarHBondContact O-ND2 3.04Å
113V76.9Confident73.4Confident72 Ų72100.8 Ų100.844%0.43650%0.497SS..Hα-helixtrans-63.7-44.5175.7174.30000110.9V109 F110 Q115 N116 Q117V109-V113 HydrophobicContact CG1-CG2 4.22Å; V109-V113 VanDerWaalsContact O-CG2 3.3Å; V109-V113 WeakPolarHBondContact O-CG2 3.39Å; V109-V113 PolarHBondContact O-N 3.49Å; F110-V113 PolarHBondContact O-N 3.19Å; V113-Q115 PolarHBondContact O-N 2.94Å; V113-N116 PolarHBondContact O-N 3.29Å; V113-Q117 WeakPolarHBondContact O-CG 3.47Å; V113-Q117 PolarHBondContact O-N 3.4Å
114S80.5Confident74Confident39 Ų3998.7 Ų98.727%0.27350%0.503SS..Hα-helixtrans-63-41.2176.7-61.40000112.6F110 K111 Q117 L118F110-S114 WeakPolarHBondContact O-CB 3.48Å; F110-S114 PolarHBondContact O-N 2.9Å; F110-S114 PolarHBondContact O-OG 3.31Å; F110-S114 VanDerWaalsContact O-OG 3.04Å; K111-S114 PolarHBondContact O-N 3.09Å; S114-Q117 PolarHBondContact O-N 2.97Å; S114-L118 PolarHBondContact O-N 3.33Å
115Q79.9Confident74.1Confident116 Ų11699 Ų9954%0.54252%0.515SS..Hα-helixtrans-65.8-40.3176-76.3178.7-5.200112K111 T112 V113 L118 Q119K111-Q115 WeakPolarHBondContact O-CB 3.45Å; K111-Q115 VanDerWaalsContact O-CG 3.31Å; K111-Q115 WeakPolarHBondContact O-CG 3.39Å; K111-Q115 PolarHBondContact O-N 3.07Å; T112-Q115 PolarHBondContact O-N 3.35Å; V113-Q115 PolarHBondContact O-N 2.94Å; Q115-L118 PolarHBondContact O-N 2.94Å; Q115-Q119 WeakPolarHBondContact O-CG 3.41Å; Q115-Q119 PolarHBondContact O-N 3.39Å
116N77.1Confident73.6Confident92 Ų92103.2 Ų103.249%0.49257%0.567SS.*Hα-helixtrans-64.5-39.2175.8-72.3-16.7000111.8T112 V113 Q119 A120T112-N116 WeakPolarHBondContact O-CB 3.44Å; T112-N116 PolarHBondContact O-N 3.48Å; T112-N116 PolarHBondContact O-ND2 3.04Å; V113-N116 PolarHBondContact O-N 3.29Å; N116-Q119 PolarHBondContact O-N 2.89Å; N116-A120 WeakPolarHBondContact O-CB 3.44Å; N116-A120 PolarHBondContact O-N 3.38Å
117Q76.7Confident73.7Confident124 Ų124103 Ų10358%0.57956%0.56SS**Hα-helixtrans-63-42.8173.4-74.3-179.37.200112.1V113 S114 Q119 A120 Q121V113-Q117 WeakPolarHBondContact O-CG 3.47Å; V113-Q117 PolarHBondContact O-N 3.4Å; S114-Q117 PolarHBondContact O-N 2.97Å; Q117-Q119 PolarHBondContact O-N 3.04Å; Q117-A120 PolarHBondContact O-N 3.38Å; Q117-Q121 PolarHBondContact O-N 3.29Å
118L74.7Confident73.7Confident103 Ų103103.9 Ų103.954%0.53957%0.567SS.*Hα-helixtrans-62.8-39.6175.4-78.4163.2000112.4S114 Q115 K122S114-L118 PolarHBondContact O-N 3.33Å; Q115-L118 PolarHBondContact O-N 2.94Å; L118-K122 WeakPolarHBondContact O-CG 3.35Å; L118-K122 PolarHBondContact O-N 3.49Å; L118-K122 VanDerWaalsContact O-N 3.07Å
119Q77Confident74Confident118 Ų118106.2 Ų106.255%0.55158%0.579SS**Hα-helixtrans-69.5-37.7175.8-71.7-171.620.500112.4Q115 N116 Q117 K122 K123Q115-Q119 WeakPolarHBondContact O-CG 3.41Å; Q115-Q119 PolarHBondContact O-N 3.39Å; N116-Q119 PolarHBondContact O-N 2.89Å; Q117-Q119 PolarHBondContact O-N 3.04Å; Q119-K122 PolarHBondContact O-N 3.44Å; Q119-K123 PolarHBondContact O-N 3.34Å
120A74.5Confident74.3Confident61 Ų61109 Ų10950%0.50459%0.593SS.*Hα-helixtrans-63.6-41.5174.800000111.7N116 Q117 K123 S124N116-A120 WeakPolarHBondContact O-CB 3.44Å; N116-A120 PolarHBondContact O-N 3.38Å; Q117-A120 PolarHBondContact O-N 3.38Å; A120-K123 PolarHBondContact O-N 3.09Å; A120-S124 PolarHBondContact O-N 3.33Å; A120-S124 VanDerWaalsContact O-N 3.09Å
121Q73.9Confident74.2Confident133 Ų133106.5 Ų106.562%0.62159%0.589SS**Hα-helixtrans-64.5-40174-76.4-173.1-18.100112.6Q117 K123 S124 N125Q117-Q121 PolarHBondContact O-N 3.29Å; Q121-K123 VanDerWaalsContact C-N 3.32Å; Q121-K123 PolarHBondContact O-N 3.33Å; Q121-S124 PolarHBondContact O-N 3.22Å; Q121-N125 PolarHBondContact O-N 2.97Å
122K76.1Confident74Confident173 Ų173107.8 Ų107.875%0.75260%0.603SS**Hα-helixtrans-63.4-36.3175.6-78.5-175.1177.6-174.90112.9L118 Q119 S124L118-K122 WeakPolarHBondContact O-CG 3.35Å; L118-K122 PolarHBondContact O-N 3.49Å; L118-K122 VanDerWaalsContact O-N 3.07Å; Q119-K122 PolarHBondContact O-N 3.44Å; K122-S124 VanDerWaalsContact C-N 3.35Å
123K74.8Confident73.9Confident174 Ų174112.4 Ų112.476%0.75763%0.627SS**Hα-helixtrans-76.2-19.5176-74.7-173.4176.8-177.30113.8Q119 A120 Q121Q119-K123 PolarHBondContact O-N 3.34Å; A120-K123 PolarHBondContact O-N 3.09Å; Q121-K123 VanDerWaalsContact C-N 3.32Å; Q121-K123 PolarHBondContact O-N 3.33Å
124S73.5Confident73.6Confident95 Ų95115.5 Ų115.566%0.66464%0.642SS**Hα-helixtrans-85.7-18.4177.3-178.60000113.5A120 Q121 K122A120-S124 PolarHBondContact O-N 3.33Å; A120-S124 VanDerWaalsContact O-N 3.09Å; Q121-S124 PolarHBondContact O-N 3.22Å; K122-S124 VanDerWaalsContact C-N 3.35Å
125N65Low73.1Confident152 Ų152121.9 Ų121.981%0.81367%0.673SS**  trans-11112.5-175.7-817.7000113.8Q121Q121-N125 PolarHBondContact O-N 2.97Å
126G53.5Low72.4Confident122 Ų122122.5 Ų122.5100%1.25869%0.685SS**  trans-127.20172.800000110.7

Retrieved 126 of 126 residues in 52 ms (Link to these results)