A0A3Q0KHF6_SCHMA Loading...

Neutral sphingomyelinase

AlphaFold DB , UniProt , Accession A0A3Q0KHF6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 151 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
1M58.8Low82.7Confident181 Ų18196.6 Ų96.689%0.89247%0.469SS*.  0-45.40-91.2-174.7-8900113.2E3 L4 R5M1-E3 VanDerWaalsContact C-N 3.32Å; M1-E3 PolarHBondContact O-N 3.04Å; M1-L4 WeakPolarHBondContact O-CB 3.3Å; M1-L4 PolarHBondContact O-N 3.49Å; M1-L4 VanDerWaalsContact O-N 3.14Å; M1-R5 PolarHBondContact O-N 2.93Å; M1-R5 VanDerWaalsContact O-N 3.11Å
2I66.1Low83.7Confident110 Ų11090.1 Ų90.156%0.56444%0.438SS*.Hα-helixtrans-53.9-44.2178.1-81.6160.4000113.1L4 R5 R6I2-L4 VanDerWaalsContact C-N 3.35Å; I2-L4 PolarHBondContact O-N 2.94Å; I2-R5 PolarHBondContact O-N 2.89Å; I2-R6 WeakPolarHBondContact O-CB 3.44Å; I2-R6 PolarHBondContact O-N 3.45Å
3E77.1Confident84.6Confident136 Ų13684.3 Ų84.364%0.63642%0.416SS*.Hα-helixtrans-59.8-41.6177.3-64.8-60.1154.400113M1 R6 L7M1-E3 VanDerWaalsContact C-N 3.32Å; M1-E3 PolarHBondContact O-N 3.04Å; E3-R6 PolarHBondContact O-N 3.33Å; E3-L7 WeakPolarHBondContact O-CB 3.34Å; E3-L7 PolarHBondContact O-N 3.34Å
4L81.3Confident85.4Confident98 Ų9885.1 Ų85.151%0.51342%0.422SS..Hα-helixtrans-62.2-45.8176-81.5115000111.7M1 I2 L7 S8 M133M1-L4 WeakPolarHBondContact O-CB 3.3Å; M1-L4 PolarHBondContact O-N 3.49Å; M1-L4 VanDerWaalsContact O-N 3.14Å; I2-L4 VanDerWaalsContact C-N 3.35Å; I2-L4 PolarHBondContact O-N 2.94Å; L4-L7 PolarHBondContact O-N 3.12Å; L4-S8 WeakPolarHBondContact O-CB 3.48Å; L4-S8 PolarHBondContact O-N 2.92Å; L4-M133 HydrophobicContact CB-CE 4.14Å; L4-M133 HydrophobicContact CD1-CE 4.33Å; L4-M133 HydrophobicContact CD2-CE 3.13Å; L4-M133 HydrophobicContact CG-CE 3.22Å
5R81.9Confident86.1Confident84 Ų8481.9 Ų81.932%0.31741%0.414SS..Hα-helixtrans-61.8-48.9179.4-71.6-172.5-179.2172.75.1110.2M1 I2 L7 S8 T9 L71 D74 V77M1-R5 PolarHBondContact O-N 2.93Å; M1-R5 VanDerWaalsContact O-N 3.11Å; I2-R5 PolarHBondContact O-N 2.89Å; R5-L7 PolarHBondContact O-N 3.07Å; R5-S8 WeakPolarHBondContact O-CB 3.43Å; R5-S8 PolarHBondContact O-N 3.49Å; R5-T9 PolarHBondContact O-N 3.46Å; R5-T9 PolarHBondContact O-OG1 3.48Å; R5-L71 HydrophobicContact CB-CD2 4.15Å; R5-D74 IonicContact NH1-OD1 3.31Å; R5-D74 PolarHBondContact NH1-OD1 3.27Å; R5-D74 VanDerWaalsContact NH1-OD1 3.12Å; R5-V77 VanDerWaalsContact CZ-CG1 3.49Å
6R87.5Confident86.7Confident148 Ų14878.2 Ų78.256%0.55840%0.396SS*.Hα-helixtrans-60-45.5179.9-169.1179.2-179.8-167.20.9112.1I2 E3 T9 I10I2-R6 WeakPolarHBondContact O-CB 3.44Å; I2-R6 PolarHBondContact O-N 3.45Å; E3-R6 PolarHBondContact O-N 3.33Å; R6-T9 PolarHBondContact O-N 3.04Å; R6-I10 HydrophobicContact CG-CD1 4.06Å; R6-I10 VanDerWaalsContact O-CG1 3.27Å; R6-I10 WeakPolarHBondContact O-CG1 3.49Å; R6-I10 PolarHBondContact O-N 3.23Å
7L88.7Confident87.3Confident70 Ų7077.8 Ų77.837%0.36640%0.398SS..Hα-helixtrans-62.4-44.1176.7-173.8150.7000111.3E3 L4 R5 T9 I10 L11 I129E3-L7 WeakPolarHBondContact O-CB 3.34Å; E3-L7 PolarHBondContact O-N 3.34Å; L4-L7 PolarHBondContact O-N 3.12Å; R5-L7 PolarHBondContact O-N 3.07Å; L7-T9 VanDerWaalsContact C-N 3.35Å; L7-T9 PolarHBondContact O-N 3.25Å; L7-I10 PolarHBondContact O-N 3.02Å; L7-L11 HydrophobicContact CD2-CD1 3.43Å; L7-L11 VanDerWaalsContact CD2-CD1 3.43Å; L7-L11 HydrophobicContact CD2-CG 4.08Å; L7-L11 HydrophobicContact CG-CD1 4.43Å; L7-L11 WeakPolarHBondContact O-CB 3.39Å; L7-L11 WeakPolarHBondContact O-CG 3.41Å; L7-L11 PolarHBondContact O-N 3.32Å; L7-I129 HydrophobicContact CD2-CG2 4.21Å
8S90Very high87.8Confident46 Ų4679.4 Ų79.432%0.32241%0.407SS..Hα-helixtrans-58.9-44.6174.9-177.90000111.9L4 R5 L11 L12L4-S8 WeakPolarHBondContact O-CB 3.48Å; L4-S8 PolarHBondContact O-N 2.92Å; R5-S8 WeakPolarHBondContact O-CB 3.43Å; R5-S8 PolarHBondContact O-N 3.49Å; S8-L11 PolarHBondContact O-N 3.28Å; S8-L12 VanDerWaalsContact O-CB 3.29Å; S8-L12 WeakPolarHBondContact O-CB 3.36Å; S8-L12 PolarHBondContact O-N 3.01Å
9T91.8Very high88.2Confident8 Ų877.6 Ų77.65%0.04940%0.398CS..Hα-helixtrans-64-42.9178.9-50.20000111.3R5 R6 L7 L12 G13 F64 D67 L68 L71R5-T9 PolarHBondContact O-N 3.46Å; R5-T9 PolarHBondContact O-OG1 3.48Å; R6-T9 PolarHBondContact O-N 3.04Å; L7-T9 VanDerWaalsContact C-N 3.35Å; L7-T9 PolarHBondContact O-N 3.25Å; T9-L12 PolarHBondContact O-N 3.35Å; T9-G13 PolarHBondContact O-N 3.06Å; T9-F64 HydrophobicContact CG2-CD2 4.04Å; T9-F64 HydrophobicContact CG2-CE2 3.75Å; T9-F64 WeakPolarHBondContact O-CE2 3.41Å; T9-D67 HydrophobicContact CG2-CB 4.04Å; T9-L68 HydrophobicContact CG2-CD2 3.98Å; T9-L68 HydrophobicContact CG2-CG 4.42Å; T9-L71 HydrophobicContact CG2-CD1 4.16Å
10I93.3Very high88.5Confident105 Ų10576.5 Ų76.554%0.53840%0.395SS..Hα-helixtrans-63.4-47.7177.7-67.9165.2000110.8R6 L7 L12 G13 L14R6-I10 HydrophobicContact CG-CD1 4.06Å; R6-I10 VanDerWaalsContact O-CG1 3.27Å; R6-I10 WeakPolarHBondContact O-CG1 3.49Å; R6-I10 PolarHBondContact O-N 3.23Å; L7-I10 PolarHBondContact O-N 3.02Å; I10-L12 VanDerWaalsContact C-N 3.33Å; I10-L12 PolarHBondContact O-N 2.81Å; I10-G13 PolarHBondContact O-N 2.94Å; I10-L14 WeakPolarHBondContact O-CB 3.45Å; I10-L14 PolarHBondContact O-N 3.4Å
11L93.4Very high88.8Confident77 Ų7778.2 Ų78.240%0.40340%0.403SS..Hα-helixtrans-63.3-39.7178.6-72.7-179.9000112.1L7 S8 L14 A15 I129L7-L11 HydrophobicContact CD2-CD1 3.43Å; L7-L11 VanDerWaalsContact CD2-CD1 3.43Å; L7-L11 HydrophobicContact CD2-CG 4.08Å; L7-L11 HydrophobicContact CG-CD1 4.43Å; L7-L11 WeakPolarHBondContact O-CB 3.39Å; L7-L11 WeakPolarHBondContact O-CG 3.41Å; L7-L11 PolarHBondContact O-N 3.32Å; S8-L11 PolarHBondContact O-N 3.28Å; L11-L14 PolarHBondContact O-N 3.13Å; L11-A15 WeakPolarHBondContact O-CB 3.38Å; L11-A15 PolarHBondContact O-N 3.05Å; L11-I129 HydrophobicContact CD1-CD1 4.08Å
12L94.2Very high90.4Very high18 Ų1870.9 Ų70.99%0.09438%0.375CS..Hα-helixtrans-64.3-44.5175.9-178.763.2000111.3S8 T9 I10 L14 A15 I16 L60 V63 F64S8-L12 VanDerWaalsContact O-CB 3.29Å; S8-L12 WeakPolarHBondContact O-CB 3.36Å; S8-L12 PolarHBondContact O-N 3.01Å; T9-L12 PolarHBondContact O-N 3.35Å; I10-L12 VanDerWaalsContact C-N 3.33Å; I10-L12 PolarHBondContact O-N 2.81Å; L12-L14 PolarHBondContact O-N 3.38Å; L12-A15 WeakPolarHBondContact O-CB 3.48Å; L12-A15 PolarHBondContact O-N 3.12Å; L12-I16 HydrophobicContact CD1-CD1 4.34Å; L12-I16 HydrophobicContact CG-CD1 4.07Å; L12-I16 VanDerWaalsContact O-CG1 3.31Å; L12-I16 WeakPolarHBondContact O-CG1 3.27Å; L12-I16 PolarHBondContact O-N 3.33Å; L12-L60 HydrophobicContact CD1-CB 4.39Å; L12-L60 HydrophobicContact CD1-CD1 4.43Å; L12-L60 HydrophobicContact CD1-CD2 4.27Å; L12-V63 HydrophobicContact CD2-CB 4.22Å; L12-V63 HydrophobicContact CD2-CG1 3.72Å; L12-F64 HydrophobicContact CD2-CB 3.96Å; L12-F64 HydrophobicContact CD2-CD2 4.49Å; L12-F64 HydrophobicContact CG-CB 4.35Å; L12-F64 HydrophobicContact CG-CD2 4.46Å
13G96.2Very high91.7Very high15 Ų1566.2 Ų66.216%0.15535%0.351CS..Hα-helixtrans-58-47.4174.300000111.9T9 I10 A15 I16 T17T9-G13 PolarHBondContact O-N 3.06Å; I10-G13 PolarHBondContact O-N 2.94Å; G13-A15 PolarHBondContact O-N 3.42Å; G13-I16 PolarHBondContact O-N 3.27Å; G13-T17 WeakPolarHBondContact O-CG2 3.23Å; G13-T17 PolarHBondContact O-N 3.28Å; G13-T17 PolarHBondContact O-OG1 3.05Å
14L95.3Very high92.4Very high95 Ų9563.6 Ų63.650%0.49735%0.352SS..Hα-helixtrans-61.2-42.5176.5-176.6137.1000111.9I10 L11 L12 T17 L18I10-L14 WeakPolarHBondContact O-CB 3.45Å; I10-L14 PolarHBondContact O-N 3.4Å; L11-L14 PolarHBondContact O-N 3.13Å; L12-L14 PolarHBondContact O-N 3.38Å; L14-T17 WeakPolarHBondContact CA-OG1 3.42Å; L14-T17 PolarHBondContact O-N 3.34Å; L14-T17 PolarHBondContact O-OG1 2.97Å; L14-L18 HydrophobicContact CD2-CD1 3.57Å; L14-L18 HydrophobicContact CD2-CG 4.37Å; L14-L18 HydrophobicContact CG-CD1 4.23Å; L14-L18 WeakPolarHBondContact O-CG 3.43Å; L14-L18 PolarHBondContact O-N 2.7Å
15A95.5Very high92.9Very high37 Ų3761.7 Ų61.731%0.30635%0.345SS..Hα-helixtrans-59.2-48.9175.400000111.6L11 L12 G13 T17 L18 I19L11-A15 WeakPolarHBondContact O-CB 3.38Å; L11-A15 PolarHBondContact O-N 3.05Å; L12-A15 WeakPolarHBondContact O-CB 3.48Å; L12-A15 PolarHBondContact O-N 3.12Å; G13-A15 PolarHBondContact O-N 3.42Å; A15-T17 VanDerWaalsContact C-N 3.33Å; A15-T17 PolarHBondContact O-N 3.45Å; A15-L18 PolarHBondContact O-N 2.93Å; A15-I19 WeakPolarHBondContact O-CB 3.36Å; A15-I19 WeakPolarHBondContact O-CD1 3.43Å; A15-I19 WeakPolarHBondContact O-CG1 3.48Å; A15-I19 PolarHBondContact O-N 3.28Å
16I96.6Very high93.1Very high23 Ų2361.3 Ų61.312%0.11836%0.355CS..Hα-helixtrans-59.3-44.2177.3-65.9162.9000110.6L12 G13 L18 I19 T20 V57 L60 F64L12-I16 HydrophobicContact CD1-CD1 4.34Å; L12-I16 HydrophobicContact CG-CD1 4.07Å; L12-I16 VanDerWaalsContact O-CG1 3.31Å; L12-I16 WeakPolarHBondContact O-CG1 3.27Å; L12-I16 PolarHBondContact O-N 3.33Å; G13-I16 PolarHBondContact O-N 3.27Å; I16-L18 PolarHBondContact O-N 3.25Å; I16-I19 PolarHBondContact O-N 3.32Å; I16-T20 HydrophobicContact CG2-CG2 4.27Å; I16-T20 WeakPolarHBondContact O-CB 3.41Å; I16-T20 VanDerWaalsContact O-CG2 3.29Å; I16-T20 WeakPolarHBondContact O-CG2 3.32Å; I16-T20 PolarHBondContact O-N 3.48Å; I16-T20 PolarHBondContact O-OG1 2.92Å; I16-V57 HydrophobicContact CG2-CG1 4.44Å; I16-L60 HydrophobicContact CD1-CB 4.07Å; I16-L60 HydrophobicContact CG1-CB 3.93Å; I16-F64 HydrophobicContact CD1-CB 3.71Å; I16-F64 HydrophobicContact CD1-CG 4.22Å
17T96.6Very high93Very high71 Ų7162.1 Ų62.144%0.43637%0.365SS..Hα-helixtrans-63.1-43.1178.255.50000112.6G13 L14 A15 T20 I21G13-T17 WeakPolarHBondContact O-CG2 3.23Å; G13-T17 PolarHBondContact O-N 3.28Å; G13-T17 PolarHBondContact O-OG1 3.05Å; L14-T17 WeakPolarHBondContact CA-OG1 3.42Å; L14-T17 PolarHBondContact O-N 3.34Å; L14-T17 PolarHBondContact O-OG1 2.97Å; A15-T17 VanDerWaalsContact C-N 3.33Å; A15-T17 PolarHBondContact O-N 3.45Å; T17-T20 WeakPolarHBondContact CA-OG1 3.47Å; T17-T20 PolarHBondContact O-N 3.27Å; T17-T20 PolarHBondContact O-OG1 2.89Å; T17-I21 WeakPolarHBondContact O-CB 3.33Å; T17-I21 WeakPolarHBondContact O-CD1 3.2Å; T17-I21 WeakPolarHBondContact O-CG1 3.27Å; T17-I21 PolarHBondContact O-N 3.2Å
18L95.6Very high92.8Very high107 Ų10761.1 Ų61.156%0.5636%0.356SS*.Hα-helixtrans-68.4-39.4179.4-71.3176000111.8L14 A15 I16 G22L14-L18 HydrophobicContact CD2-CD1 3.57Å; L14-L18 HydrophobicContact CD2-CG 4.37Å; L14-L18 HydrophobicContact CG-CD1 4.23Å; L14-L18 WeakPolarHBondContact O-CG 3.43Å; L14-L18 PolarHBondContact O-N 2.7Å; A15-L18 PolarHBondContact O-N 2.93Å; I16-L18 PolarHBondContact O-N 3.25Å; L18-G22 PolarHBondContact O-N 3.43Å
19I95.5Very high92.4Very high45 Ų4567.5 Ų67.523%0.23137%0.373CS..Hα-helixtrans-64.3-47.1176.1-67.9159000110.3A15 I16 G22 M23 V57 L60 L97A15-I19 WeakPolarHBondContact O-CB 3.36Å; A15-I19 WeakPolarHBondContact O-CD1 3.43Å; A15-I19 WeakPolarHBondContact O-CG1 3.48Å; A15-I19 PolarHBondContact O-N 3.28Å; I16-I19 PolarHBondContact O-N 3.32Å; I19-G22 CarbonylContact O-C 3.24Å; I19-G22 WeakPolarHBondContact O-CA 3.41Å; I19-G22 PolarHBondContact O-N 2.96Å; I19-M23 HydrophobicContact CG2-CG 4.4Å; I19-M23 HydrophobicContact CG2-SD 3.97Å; I19-M23 WeakPolarHBondContact O-CG 3.28Å; I19-M23 PolarHBondContact O-N 2.94Å; I19-V57 HydrophobicContact CG2-CG2 3.51Å; I19-L60 HydrophobicContact CD1-CD1 4.38Å; I19-L97 HydrophobicContact CD1-CD1 3.64Å; I19-L97 HydrophobicContact CG2-CD2 3.84Å
20T95.2Very high91.9Very high56 Ų5669.4 Ų69.434%0.34439%0.387SS..Hα-helixtrans-64.7-41.7-179.948.70000112.2I16 T17 G22 M23 A24 V57I16-T20 HydrophobicContact CG2-CG2 4.27Å; I16-T20 WeakPolarHBondContact O-CB 3.41Å; I16-T20 VanDerWaalsContact O-CG2 3.29Å; I16-T20 WeakPolarHBondContact O-CG2 3.32Å; I16-T20 PolarHBondContact O-N 3.48Å; I16-T20 PolarHBondContact O-OG1 2.92Å; T17-T20 WeakPolarHBondContact CA-OG1 3.47Å; T17-T20 PolarHBondContact O-N 3.27Å; T17-T20 PolarHBondContact O-OG1 2.89Å; T20-G22 VanDerWaalsContact C-N 3.33Å; T20-G22 PolarHBondContact O-N 2.85Å; T20-M23 PolarHBondContact O-N 3.31Å; T20-A24 WeakPolarHBondContact O-CB 3.13Å; T20-A24 PolarHBondContact O-N 2.9Å; T20-V57 HydrophobicContact CG2-CG1 3.74Å; T20-V57 HydrophobicContact CG2-CG2 4.48Å
21I95.5Very high91.4Very high112 Ų11265.5 Ų65.557%0.57437%0.372SS*.Hα-helixtrans-60.4-44.6171.6-68.9166.4000110.4T17 M23 A24 T25T17-I21 WeakPolarHBondContact O-CB 3.33Å; T17-I21 WeakPolarHBondContact O-CD1 3.2Å; T17-I21 WeakPolarHBondContact O-CG1 3.27Å; T17-I21 PolarHBondContact O-N 3.2Å; I21-M23 VanDerWaalsContact C-N 3.33Å; I21-M23 PolarHBondContact O-N 3.46Å; I21-A24 PolarHBondContact O-N 3.22Å; I21-T25 PolarHBondContact O-N 3.11Å
22G92.5Very high90.9Very high28 Ų2862.6 Ų62.629%0.28936%0.361SS..Hα-helixtrans-61.1-38.717600000112.9L18 I19 T20 T25 W28L18-G22 PolarHBondContact O-N 3.43Å; I19-G22 CarbonylContact O-C 3.24Å; I19-G22 WeakPolarHBondContact O-CA 3.41Å; I19-G22 PolarHBondContact O-N 2.96Å; T20-G22 VanDerWaalsContact C-N 3.33Å; T20-G22 PolarHBondContact O-N 2.85Å; G22-T25 VanDerWaalsContact O-CG2 3.29Å; G22-T25 WeakPolarHBondContact O-CG2 3.49Å; G22-W28 VanDerWaalsContact O-CE2 3.31Å; G22-W28 VanDerWaalsContact O-CZ2 3.23Å; G22-W28 WeakPolarHBondContact O-CZ2 3.34Å; G22-W28 PolarHBondContact O-NE1 3.49Å
23M91.8Very high90.3Very high12 Ų1261.8 Ų61.86%0.05936%0.357CS..Hα-helixtrans-70.1-36.4174.9-70.41756600112.5I19 T20 I21 F34 L53 L54 V57I19-M23 HydrophobicContact CG2-CG 4.4Å; I19-M23 HydrophobicContact CG2-SD 3.97Å; I19-M23 WeakPolarHBondContact O-CG 3.28Å; I19-M23 PolarHBondContact O-N 2.94Å; T20-M23 PolarHBondContact O-N 3.31Å; I21-M23 VanDerWaalsContact C-N 3.33Å; I21-M23 PolarHBondContact O-N 3.46Å; M23-F34 HydrophobicContact CB-CE2 4.35Å; M23-F34 HydrophobicContact CE-CZ 3.92Å; M23-L53 HydrophobicContact CE-CB 3.63Å; M23-L53 HydrophobicContact CG-CD1 4.34Å; M23-L53 HydrophobicContact SD-CB 3.88Å; M23-L54 HydrophobicContact CE-CD2 3.67Å; M23-L54 HydrophobicContact CE-CG 3.94Å; M23-V57 HydrophobicContact SD-CG2 3.63Å
24A92.6Very high89.6Confident80 Ų8065.6 Ų65.666%0.66137%0.369SS*.Hα-helixtrans-78.6-25.6-178.200000113.4T20 I21T20-A24 WeakPolarHBondContact O-CB 3.13Å; T20-A24 PolarHBondContact O-N 2.9Å; I21-A24 PolarHBondContact O-N 3.22Å
25T91.1Very high88.9Confident59 Ų5965.1 Ų65.136%0.36237%0.367SS..  trans-65.7145.5179.8-160.50000111.3I21 G22 Q27 W28I21-T25 PolarHBondContact O-N 3.11Å; G22-T25 VanDerWaalsContact O-CG2 3.29Å; G22-T25 WeakPolarHBondContact O-CG2 3.49Å; T25-Q27 VanDerWaalsContact C-N 3.28Å; T25-Q27 HydrophobicContact CG2-CB 4.14Å; T25-Q27 PolarHBondContact O-N 2.93Å; T25-W28 PolarHBondContact O-NE1 3.39Å
26S85.7Confident87.8Confident76 Ų7666.1 Ų66.153%0.53137%0.372SS..SBendtrans-93.919.7177.3660000113W28 G31S26-W28 VanDerWaalsContact C-N 3.28Å; S26-G31 CarbonylContact C-O 3.59Å; S26-G31 WeakPolarHBondContact CA-O 3.35Å; S26-G31 CarbonylContact O-C 3.07Å; S26-G31 VanDerWaalsContact O-C 3.24Å; S26-G31 WeakPolarHBondContact O-CA 3.29Å
27Q86.3Confident86.7Confident164 Ų16465.3 Ų65.377%0.76637%0.368SS*.  trans-91.917.2-179.6-61.4-66.3-14.500112.6T25T25-Q27 VanDerWaalsContact C-N 3.28Å; T25-Q27 HydrophobicContact CG2-CB 4.14Å; T25-Q27 PolarHBondContact O-N 2.93Å
28W84.5Confident85.5Confident49 Ų4965.2 Ų65.219%0.18636%0.363CS..BIsolated β-bridgetrans-70.8157.4167.3-56.383.8000108.7G22 T25 S26 C30 G31 L33 Y104G22-W28 VanDerWaalsContact O-CE2 3.31Å; G22-W28 VanDerWaalsContact O-CZ2 3.23Å; G22-W28 WeakPolarHBondContact O-CZ2 3.34Å; G22-W28 PolarHBondContact O-NE1 3.49Å; T25-W28 PolarHBondContact O-NE1 3.39Å; S26-W28 VanDerWaalsContact C-N 3.28Å; W28-C30 PolarHBondContact O-N 3.14Å; W28-G31 VanDerWaalsContact CB-O 3.25Å; W28-G31 WeakPolarHBondContact CB-O 3.49Å; W28-G31 PolarHBondContact N-O 3.32Å; W28-G31 VanDerWaalsContact N-O 3.15Å; W28-G31 WeakPolarHBondContact O-CA 3.44Å; W28-G31 PolarHBondContact O-N 2.98Å; W28-L33 HydrophobicContact CD2-CD1 4.13Å; W28-L33 HydrophobicContact CE3-CD1 4.27Å; W28-L33 HydrophobicContact CG-CB 4.38Å; W28-L33 HydrophobicContact CG-CD1 4.43Å; W28-L33 HydrophobicContact CZ2-CD2 4.37Å; W28-Y104 AromaticContact CE3-CD1 3.92Å; W28-Y104 HydrophobicContact CE3-CD1 3.92Å; W28-Y104 HydrophobicContact CE3-CD2 4.39Å; W28-Y104 AromaticContact CE3-CE1 3.45Å; W28-Y104 HydrophobicContact CE3-CE1 3.45Å; W28-Y104 VanDerWaalsContact CE3-CE1 3.45Å; W28-Y104 AromaticContact CE3-CE2 3.98Å; W28-Y104 HydrophobicContact CE3-CE2 3.98Å; W28-Y104 HydrophobicContact CE3-CG 4.39Å; W28-Y104 AromaticContact CE3-CZ 3.53Å; W28-Y104 AromaticContact CZ3-CD1 3.74Å; W28-Y104 HydrophobicContact CZ3-CD1 3.74Å; W28-Y104 HydrophobicContact CZ3-CD2 4.48Å; W28-Y104 AromaticContact CZ3-CE1 3.76Å; W28-Y104 HydrophobicContact CZ3-CE1 3.76Å; W28-Y104 HydrophobicContact CZ3-CG 4.14Å
29R81.3Confident84.4Confident181 Ų18167.8 Ų67.868%0.68337%0.365SS*.THydrogen-bonded Turntrans-58.3-27.4-175.9-169174.6-177.9135.5-1.2113.8Y104 F108 D109R29-Y104 PolarHBondContact N-OH 3.41Å; R29-F108 VanDerWaalsContact CD-O 3.24Å; R29-F108 WeakPolarHBondContact CD-O 3.49Å; R29-D109 WeakPolarHBondContact CB-OD1 3.48Å; R29-D109 PolarHBondContact NH1-O 2.84Å
30C81.3Confident83.3Confident48 Ų4867.6 Ų67.632%0.32437%0.374SS..THydrogen-bonded Turntrans-989.1174.240.60000113.8W28 S36 C37W28-C30 PolarHBondContact O-N 3.14Å; C30-S36 WeakPolarHBondContact O-CB 3.37Å; C30-C37 HydrophobicContact CB-CB 3.91Å; C30-C37 WeakPolarHBondContact CB-SG 3.39Å; C30-C37 WeakPolarHBondContact SG-CB 3.47Å; C30-C37 CovalentContact SG-SG 2.01Å; C30-C37 PolarHBondContact SG-SG 3.15Å
31G83.4Confident82.3Confident22 Ų2274.5 Ų74.523%0.22740%0.402CS..BIsolated β-bridgetrans95.1-117.7-176.600000112.2S26 W28S26-G31 CarbonylContact C-O 3.59Å; S26-G31 WeakPolarHBondContact CA-O 3.35Å; S26-G31 CarbonylContact O-C 3.07Å; S26-G31 VanDerWaalsContact O-C 3.24Å; S26-G31 WeakPolarHBondContact O-CA 3.29Å; W28-G31 VanDerWaalsContact CB-O 3.25Å; W28-G31 WeakPolarHBondContact CB-O 3.49Å; W28-G31 PolarHBondContact N-O 3.32Å; W28-G31 VanDerWaalsContact N-O 3.15Å; W28-G31 WeakPolarHBondContact O-CA 3.44Å; W28-G31 PolarHBondContact O-N 2.98Å
32G83.2Confident81.6Confident17 Ų1771.9 Ų71.918%0.17539%0.393CS..  trans-85.7130175.500000112.4F34 D35 S36 C37G32-F34 PolarHBondContact O-N 3.07Å; G32-D35 PolarHBondContact O-N 3.15Å; G32-S36 PolarHBondContact O-N 3.03Å; G32-C37 PolarHBondContact O-N 2.96Å; G32-C37 VanDerWaalsContact O-N 3.14Å; G32-C37 PolarHBondContact O-SG 3.16Å
33L80.7Confident81.1Confident1 Ų175.2 Ų75.21%0.00540%0.4CS..THydrogen-bonded Turntrans-59.9-34.2-180-162.873.5000112.7W28 V50 L53 Y104W28-L33 HydrophobicContact CD2-CD1 4.13Å; W28-L33 HydrophobicContact CE3-CD1 4.27Å; W28-L33 HydrophobicContact CG-CB 4.38Å; W28-L33 HydrophobicContact CG-CD1 4.43Å; W28-L33 HydrophobicContact CZ2-CD2 4.37Å; L33-V50 HydrophobicContact CD1-CG2 4.44Å; L33-V50 HydrophobicContact CD2-CG2 3.6Å; L33-V50 HydrophobicContact CG-CG2 3.54Å; L33-L53 HydrophobicContact CD2-CD1 3.76Å; L33-Y104 HydrophobicContact CD1-CD2 4.4Å; L33-Y104 HydrophobicContact CD1-CE2 4.25Å
34F81.6Confident81Confident94 Ų9481.2 Ų81.241%0.41243%0.432SS..THydrogen-bonded Turntrans-88.3-11.7-176.5-64.9-80.2000115.2M23 G32 V50 L54M23-F34 HydrophobicContact CB-CE2 4.35Å; M23-F34 HydrophobicContact CE-CZ 3.92Å; G32-F34 PolarHBondContact O-N 3.07Å; F34-V50 HydrophobicContact CD1-CG1 3.87Å; F34-V50 HydrophobicContact CE1-CG1 3.42Å; F34-V50 VanDerWaalsContact CE1-CG1 3.42Å; F34-V50 HydrophobicContact CZ-CG1 4.24Å; F34-L54 HydrophobicContact CE1-CD1 4.19Å; F34-L54 HydrophobicContact CE1-CD2 4.42Å; F34-L54 HydrophobicContact CE1-CG 4.46Å; F34-L54 HydrophobicContact CZ-CD2 4.28Å
35D79.4Confident80.8Confident85 Ų8579.1 Ų79.146%0.45542%0.415SS..THydrogen-bonded Turntrans-130.1-74.5-173.2-168.947000111.2G32 C37 Q38 R39G32-D35 PolarHBondContact O-N 3.15Å; D35-C37 VanDerWaalsContact C-N 3.35Å; D35-C37 PolarHBondContact O-N 3.11Å; D35-Q38 PolarHBondContact O-N 3.03Å; D35-R39 VanDerWaalsContact CG-NH1 3.29Å; D35-R39 IonicContact OD1-CZ 3.54Å; D35-R39 VanDerWaalsContact OD1-CZ 3.24Å; D35-R39 IonicContact OD1-NH1 2.84Å; D35-R39 PolarHBondContact OD1-NH1 3.1Å; D35-R39 IonicContact OD1-NH2 3.36Å; D35-R39 PolarHBondContact OD1-NH2 3.47Å; D35-R39 IonicContact OD2-CZ 2.67Å; D35-R39 IonicContact OD2-NH1 2.69Å; D35-R39 PolarHBondContact OD2-NH1 3.02Å; D35-R39 IonicContact OD2-NH2 3.24Å; D35-R39 PolarHBondContact OD2-NH2 2.97Å
36S73.7Confident80.8Confident58 Ų5876.4 Ų76.441%0.40640%0.398SS..G310 helixtrans-60.8-40.3-175.9-55.20000113.2C30 G32 Q38 R39C30-S36 WeakPolarHBondContact O-CB 3.37Å; G32-S36 PolarHBondContact O-N 3.03Å; S36-Q38 VanDerWaalsContact C-N 3.33Å; S36-Q38 PolarHBondContact O-N 3.35Å; S36-R39 PolarHBondContact O-N 3.43Å
37C72.3Confident81.1Confident7 Ų776.6 Ų76.65%0.04739%0.393CS..G310 helixtrans-69.8-27.2-178.2-60.40000113.5C30 G32 D35 R39 I46C30-C37 HydrophobicContact CB-CB 3.91Å; C30-C37 WeakPolarHBondContact CB-SG 3.39Å; C30-C37 WeakPolarHBondContact SG-CB 3.47Å; C30-C37 CovalentContact SG-SG 2.01Å; C30-C37 PolarHBondContact SG-SG 3.15Å; G32-C37 PolarHBondContact O-N 2.96Å; G32-C37 VanDerWaalsContact O-N 3.14Å; G32-C37 PolarHBondContact O-SG 3.16Å; D35-C37 VanDerWaalsContact C-N 3.35Å; D35-C37 PolarHBondContact O-N 3.11Å; C37-R39 VanDerWaalsContact C-N 3.31Å; C37-R39 PolarHBondContact O-N 3.05Å; C37-I46 HydrophobicContact CB-CD1 4.3Å; C37-I46 HydrophobicContact CB-CG1 4.3Å; C37-I46 HydrophobicContact CB-CG2 3.73Å
38Q71.7Confident81.4Confident68 Ų6871.2 Ų71.232%0.31838%0.376SS..G310 helixtrans-79.6-10.4-178.6-69.4-169.4-10.400113.6D35 S36 K43 I46 I47D35-Q38 PolarHBondContact O-N 3.03Å; S36-Q38 VanDerWaalsContact C-N 3.33Å; S36-Q38 PolarHBondContact O-N 3.35Å; Q38-K43 WeakPolarHBondContact O-CD 3.18Å; Q38-K43 WeakPolarHBondContact O-CE 3.31Å; Q38-K43 WeakPolarHBondContact O-CG 3.49Å; Q38-I46 HydrophobicContact CG-CG2 4.11Å; Q38-I47 HydrophobicContact CG-CG1 4.32Å
39R73.5Confident81.9Confident162 Ų16269 Ų6961%0.61137%0.368SS*.G310 helixtrans-85.3-14.5-179.8-66.3-177.5-178.4111.16.5113.9D35 S36 C37 K43D35-R39 VanDerWaalsContact CG-NH1 3.29Å; D35-R39 IonicContact OD1-CZ 3.54Å; D35-R39 VanDerWaalsContact OD1-CZ 3.24Å; D35-R39 IonicContact OD1-NH1 2.84Å; D35-R39 PolarHBondContact OD1-NH1 3.1Å; D35-R39 IonicContact OD1-NH2 3.36Å; D35-R39 PolarHBondContact OD1-NH2 3.47Å; D35-R39 IonicContact OD2-CZ 2.67Å; D35-R39 IonicContact OD2-NH1 2.69Å; D35-R39 PolarHBondContact OD2-NH1 3.02Å; D35-R39 IonicContact OD2-NH2 3.24Å; D35-R39 PolarHBondContact OD2-NH2 2.97Å; S36-R39 PolarHBondContact O-N 3.43Å; C37-R39 VanDerWaalsContact C-N 3.31Å; C37-R39 PolarHBondContact O-N 3.05Å; R39-K43 WeakPolarHBondContact O-CE 3.13Å
40G71.7Confident82.5Confident41 Ų4160.7 Ų60.742%0.42334%0.337SS..SBendtrans-77.7-172.1-174.300000116S42 K43G40-S42 VanDerWaalsContact C-N 3.32Å; G40-K43 WeakPolarHBondContact O-CE 3.47Å; G40-K43 WeakPolarHBondContact O-CG 3.43Å
41H74.6Confident83.2Confident201 Ų20160.4 Ų60.493%0.93134%0.338SS*.THydrogen-bonded Turntrans-73.8-21.5179.3-167.164000113.2
42S80.4Confident83.8Confident56 Ų5661.8 Ų61.839%0.39234%0.34SS..THydrogen-bonded Turntrans-101.339.3-178.1-50.70000113G40 D44 A45 I46G40-S42 VanDerWaalsContact C-N 3.32Å; S42-D44 PolarHBondContact O-N 2.95Å; S42-A45 PolarHBondContact O-N 3.24Å; S42-I46 PolarHBondContact O-N 3.48Å; S42-I46 VanDerWaalsContact O-N 3.15Å
43K83.3Confident84.4Confident99 Ų9961.1 Ų61.143%0.4333%0.333SS..Hα-helixtrans-56.4-48.3-175.2-51.5-167.61701790112Q38 R39 G40 A45 I46 I47Q38-K43 WeakPolarHBondContact O-CD 3.18Å; Q38-K43 WeakPolarHBondContact O-CE 3.31Å; Q38-K43 WeakPolarHBondContact O-CG 3.49Å; R39-K43 WeakPolarHBondContact O-CE 3.13Å; G40-K43 WeakPolarHBondContact O-CE 3.47Å; G40-K43 WeakPolarHBondContact O-CG 3.43Å; K43-A45 VanDerWaalsContact C-N 3.3Å; K43-A45 PolarHBondContact O-N 3.39Å; K43-I46 PolarHBondContact O-N 3.1Å; K43-I46 VanDerWaalsContact O-N 3.16Å; K43-I47 HydrophobicContact CB-CD1 4.37Å; K43-I47 WeakPolarHBondContact O-CB 3.35Å; K43-I47 VanDerWaalsContact O-CG1 3.27Å; K43-I47 WeakPolarHBondContact O-CG1 3.44Å; K43-I47 PolarHBondContact O-N 3.36Å
44D87.9Confident85.1Confident137 Ų13764.5 Ų64.573%0.73335%0.35SS*.Hα-helixtrans-61.7-40.8-174.8-56.7-26.8000111.6S42 I47 A48S42-D44 PolarHBondContact O-N 2.95Å; D44-I47 PolarHBondContact O-N 2.83Å; D44-A48 WeakPolarHBondContact O-CB 3.24Å; D44-A48 PolarHBondContact O-N 3.08Å
45A89.3Confident85.9Confident36 Ų3664.5 Ų64.530%0.29835%0.353SS..Hα-helixtrans-65.5-44.4176.800000111.7S42 K43 A48 I49 F108S42-A45 PolarHBondContact O-N 3.24Å; K43-A45 VanDerWaalsContact C-N 3.3Å; K43-A45 PolarHBondContact O-N 3.39Å; A45-A48 PolarHBondContact O-N 2.82Å; A45-I49 WeakPolarHBondContact O-CD1 3.22Å; A45-I49 WeakPolarHBondContact O-CG1 3.49Å; A45-I49 PolarHBondContact O-N 2.67Å; A45-F108 HydrophobicContact CB-CZ 4.31Å
46I91.4Very high86.7Confident2 Ų260.4 Ų60.41%0.0133%0.332CS..Hα-helixtrans-65.3-42.4177.6-66.4-65.7000111.1C37 Q38 S42 K43 A48 I49 V50 Y104 F108C37-I46 HydrophobicContact CB-CD1 4.3Å; C37-I46 HydrophobicContact CB-CG1 4.3Å; C37-I46 HydrophobicContact CB-CG2 3.73Å; Q38-I46 HydrophobicContact CG-CG2 4.11Å; S42-I46 PolarHBondContact O-N 3.48Å; S42-I46 VanDerWaalsContact O-N 3.15Å; K43-I46 PolarHBondContact O-N 3.1Å; K43-I46 VanDerWaalsContact O-N 3.16Å; I46-A48 VanDerWaalsContact C-N 3.33Å; I46-A48 PolarHBondContact O-N 3.37Å; I46-I49 HydrophobicContact CD1-CD1 4.33Å; I46-I49 PolarHBondContact O-N 3.46Å; I46-V50 HydrophobicContact CG2-CG2 4.34Å; I46-V50 VanDerWaalsContact O-CG2 3.31Å; I46-V50 WeakPolarHBondContact O-CG2 3.4Å; I46-V50 PolarHBondContact O-N 3.31Å; I46-Y104 HydrophobicContact CD1-CD2 4.23Å; I46-Y104 HydrophobicContact CD1-CE2 4.16Å; I46-F108 HydrophobicContact CD1-CD1 4.39Å; I46-F108 HydrophobicContact CD1-CD2 4.03Å; I46-F108 HydrophobicContact CD1-CE1 3.9Å; I46-F108 HydrophobicContact CD1-CE2 3.51Å; I46-F108 HydrophobicContact CD1-CG 4.44Å; I46-F108 HydrophobicContact CD1-CZ 3.43Å; I46-F108 VanDerWaalsContact CD1-CZ 3.43Å; I46-F108 HydrophobicContact CG1-CE1 4.26Å; I46-F108 HydrophobicContact CG1-CE2 4.26Å; I46-F108 HydrophobicContact CG1-CZ 3.77Å
47I91.3Very high87.9Confident81 Ų8158.6 Ų58.642%0.41532%0.318SS..Hα-helixtrans-61.8-43.6177.1-68.5164.7000110.2Q38 K43 D44 I49 V50 A51Q38-I47 HydrophobicContact CG-CG1 4.32Å; K43-I47 HydrophobicContact CB-CD1 4.37Å; K43-I47 WeakPolarHBondContact O-CB 3.35Å; K43-I47 VanDerWaalsContact O-CG1 3.27Å; K43-I47 WeakPolarHBondContact O-CG1 3.44Å; K43-I47 PolarHBondContact O-N 3.36Å; D44-I47 PolarHBondContact O-N 2.83Å; I47-I49 PolarHBondContact O-N 3.22Å; I47-V50 PolarHBondContact O-N 3.42Å; I47-A51 WeakPolarHBondContact O-CB 3.35Å; I47-A51 PolarHBondContact O-N 3.47Å
48A93.9Very high89.1Confident51 Ų5163.3 Ų63.342%0.42134%0.342SS..Hα-helixtrans-61.8-42.6175.400000112.1D44 A45 I46 A51 L52D44-A48 WeakPolarHBondContact O-CB 3.24Å; D44-A48 PolarHBondContact O-N 3.08Å; A45-A48 PolarHBondContact O-N 2.82Å; I46-A48 VanDerWaalsContact C-N 3.33Å; I46-A48 PolarHBondContact O-N 3.37Å; A48-A51 PolarHBondContact O-N 2.92Å; A48-L52 WeakPolarHBondContact O-CB 3.31Å; A48-L52 VanDerWaalsContact O-CG 3.3Å; A48-L52 WeakPolarHBondContact O-CG 3.34Å; A48-L52 PolarHBondContact O-N 3.29Å
49I94.3Very high90.3Very high1 Ų160.6 Ų60.61%0.00533%0.331CS..Hα-helixtrans-60.3-50.1175.1-69.6159.1000110.3A45 I46 I47 A51 L52 L53 V103 Y104 F108A45-I49 WeakPolarHBondContact O-CD1 3.22Å; A45-I49 WeakPolarHBondContact O-CG1 3.49Å; A45-I49 PolarHBondContact O-N 2.67Å; I46-I49 HydrophobicContact CD1-CD1 4.33Å; I46-I49 PolarHBondContact O-N 3.46Å; I47-I49 PolarHBondContact O-N 3.22Å; I49-A51 VanDerWaalsContact C-N 3.32Å; I49-A51 PolarHBondContact O-N 2.95Å; I49-L52 PolarHBondContact O-N 3.35Å; I49-L53 HydrophobicContact CG2-CD1 3.95Å; I49-L53 HydrophobicContact CG2-CG 4.34Å; I49-L53 VanDerWaalsContact O-CG 3.28Å; I49-L53 WeakPolarHBondContact O-CG 3.36Å; I49-L53 PolarHBondContact O-N 3.45Å; I49-V103 HydrophobicContact CD1-CG1 4.01Å; I49-V103 HydrophobicContact CG1-CB 4.24Å; I49-V103 HydrophobicContact CG1-CG1 3.94Å; I49-Y104 HydrophobicContact CD1-CD2 4.09Å; I49-F108 HydrophobicContact CD1-CD2 4.27Å; I49-F108 HydrophobicContact CD1-CE2 3.75Å
50V94.1Very high91.4Very high8 Ų853.2 Ų53.25%0.04830%0.304CS..Hα-helixtrans-58-45.5178.2170.20000110.9L33 F34 I46 I47 L53 L54L33-V50 HydrophobicContact CD1-CG2 4.44Å; L33-V50 HydrophobicContact CD2-CG2 3.6Å; L33-V50 HydrophobicContact CG-CG2 3.54Å; F34-V50 HydrophobicContact CD1-CG1 3.87Å; F34-V50 HydrophobicContact CE1-CG1 3.42Å; F34-V50 VanDerWaalsContact CE1-CG1 3.42Å; F34-V50 HydrophobicContact CZ-CG1 4.24Å; I46-V50 HydrophobicContact CG2-CG2 4.34Å; I46-V50 VanDerWaalsContact O-CG2 3.31Å; I46-V50 WeakPolarHBondContact O-CG2 3.4Å; I46-V50 PolarHBondContact O-N 3.31Å; I47-V50 PolarHBondContact O-N 3.42Å; V50-L53 PolarHBondContact O-N 3.48Å; V50-L54 HydrophobicContact CG1-CD1 3.86Å; V50-L54 HydrophobicContact CG1-CG 4.28Å; V50-L54 WeakPolarHBondContact O-CB 3.29Å; V50-L54 WeakPolarHBondContact O-CG 3.4Å; V50-L54 PolarHBondContact O-N 2.92Å
51A95.2Very high92.6Very high41 Ų4153 Ų5334%0.33930%0.297SS..Hα-helixtrans-61.8-46.3178.400000111.6I47 A48 I49 L53 L54 I55I47-A51 WeakPolarHBondContact O-CB 3.35Å; I47-A51 PolarHBondContact O-N 3.47Å; A48-A51 PolarHBondContact O-N 2.92Å; I49-A51 VanDerWaalsContact C-N 3.32Å; I49-A51 PolarHBondContact O-N 2.95Å; A51-L53 VanDerWaalsContact C-N 3.33Å; A51-L53 PolarHBondContact O-N 3.4Å; A51-L54 PolarHBondContact O-N 3.3Å; A51-I55 WeakPolarHBondContact O-CB 3.42Å; A51-I55 WeakPolarHBondContact O-CD1 3.38Å; A51-I55 WeakPolarHBondContact O-CG1 3.17Å; A51-I55 PolarHBondContact O-N 2.95Å
52L96.4Very high93.6Very high52 Ų5246.3 Ų46.327%0.27227%0.271SS..Hα-helixtrans-59.7-43.5175.8-75.1171.3000111.9A48 I49 G56 C96 T99A48-L52 WeakPolarHBondContact O-CB 3.31Å; A48-L52 VanDerWaalsContact O-CG 3.3Å; A48-L52 WeakPolarHBondContact O-CG 3.34Å; A48-L52 PolarHBondContact O-N 3.29Å; I49-L52 PolarHBondContact O-N 3.35Å; L52-G56 PolarHBondContact O-N 3.46Å; L52-C96 HydrophobicContact CD2-CB 4.43Å; L52-C96 WeakPolarHBondContact O-CB 3.31Å; L52-T99 HydrophobicContact CD1-CG2 4.11Å
53L96Very high94.4Very high3 Ų343.6 Ų43.62%0.01625%0.252CS..Hα-helixtrans-65.3-45.5178.4-68.2177.3000111.7M23 L33 I49 V50 A51 G56 V57 L97 I101M23-L53 HydrophobicContact CE-CB 3.63Å; M23-L53 HydrophobicContact CG-CD1 4.34Å; M23-L53 HydrophobicContact SD-CB 3.88Å; L33-L53 HydrophobicContact CD2-CD1 3.76Å; I49-L53 HydrophobicContact CG2-CD1 3.95Å; I49-L53 HydrophobicContact CG2-CG 4.34Å; I49-L53 VanDerWaalsContact O-CG 3.28Å; I49-L53 WeakPolarHBondContact O-CG 3.36Å; I49-L53 PolarHBondContact O-N 3.45Å; V50-L53 PolarHBondContact O-N 3.48Å; A51-L53 VanDerWaalsContact C-N 3.33Å; A51-L53 PolarHBondContact O-N 3.4Å; L53-G56 PolarHBondContact O-N 3.43Å; L53-V57 WeakPolarHBondContact O-CG2 3.44Å; L53-V57 PolarHBondContact O-N 2.86Å; L53-L97 HydrophobicContact CD2-CD2 3.85Å; L53-I101 HydrophobicContact CD2-CG1 3.96Å
54L96.4Very high94.9Very high71 Ų7141.7 Ų41.737%0.37224%0.244SC..Hα-helixtrans-63.7-47.9178.2-75.1175.2000112.1M23 F34 V50 A51 G56 V57 I58M23-L54 HydrophobicContact CE-CD2 3.67Å; M23-L54 HydrophobicContact CE-CG 3.94Å; F34-L54 HydrophobicContact CE1-CD1 4.19Å; F34-L54 HydrophobicContact CE1-CD2 4.42Å; F34-L54 HydrophobicContact CE1-CG 4.46Å; F34-L54 HydrophobicContact CZ-CD2 4.28Å; V50-L54 HydrophobicContact CG1-CD1 3.86Å; V50-L54 HydrophobicContact CG1-CG 4.28Å; V50-L54 WeakPolarHBondContact O-CB 3.29Å; V50-L54 WeakPolarHBondContact O-CG 3.4Å; V50-L54 PolarHBondContact O-N 2.92Å; A51-L54 PolarHBondContact O-N 3.3Å; L54-G56 PolarHBondContact O-N 2.93Å; L54-V57 PolarHBondContact O-N 3.26Å; L54-I58 WeakPolarHBondContact O-CB 3.41Å; L54-I58 WeakPolarHBondContact O-CD1 3.3Å; L54-I58 VanDerWaalsContact O-CG1 3.22Å; L54-I58 WeakPolarHBondContact O-CG1 3.42Å; L54-I58 PolarHBondContact O-N 2.93Å
55I97.2Very high95.2Very high94 Ų9440 Ų4048%0.48223%0.234SC..Hα-helixtrans-57.6-43.1176.1-69.4165.7000109.7A51 I58 A59A51-I55 WeakPolarHBondContact O-CB 3.42Å; A51-I55 WeakPolarHBondContact O-CD1 3.38Å; A51-I55 WeakPolarHBondContact O-CG1 3.17Å; A51-I55 PolarHBondContact O-N 2.95Å; I55-I58 PolarHBondContact O-N 3.46Å; I55-A59 WeakPolarHBondContact O-CB 3.33Å; I55-A59 PolarHBondContact O-N 2.97Å
56G97.3Very high95.4Very high0 Ų040.1 Ų40.10%023%0.229CC..Hα-helixtrans-59.4-51.2176.300000113.4L52 L53 L54 I58 A59 L60 G93L52-G56 PolarHBondContact O-N 3.46Å; L53-G56 PolarHBondContact O-N 3.43Å; L54-G56 PolarHBondContact O-N 2.93Å; G56-I58 PolarHBondContact O-N 3.49Å; G56-A59 PolarHBondContact O-N 3.04Å; G56-L60 WeakPolarHBondContact O-CG 3.21Å; G56-L60 PolarHBondContact O-N 2.69Å; G56-G93 WeakPolarHBondContact CA-O 3.33Å
57V97.4Very high95.3Very high19 Ų1940.7 Ų40.712%0.11523%0.232CC..Hα-helixtrans-61-44.5177.2171.70000111.5I16 I19 T20 M23 L53 L54 A59 L60 A61 L97I16-V57 HydrophobicContact CG2-CG1 4.44Å; I19-V57 HydrophobicContact CG2-CG2 3.51Å; T20-V57 HydrophobicContact CG2-CG1 3.74Å; T20-V57 HydrophobicContact CG2-CG2 4.48Å; M23-V57 HydrophobicContact SD-CG2 3.63Å; L53-V57 WeakPolarHBondContact O-CG2 3.44Å; L53-V57 PolarHBondContact O-N 2.86Å; L54-V57 PolarHBondContact O-N 3.26Å; V57-A59 PolarHBondContact O-N 3.47Å; V57-L60 PolarHBondContact O-N 3.23Å; V57-A61 WeakPolarHBondContact O-CB 3.11Å; V57-A61 PolarHBondContact O-N 3.38Å; V57-L97 HydrophobicContact CG2-CD2 4.05Å
58I97.5Very high95.3Very high107 Ų10740.3 Ų40.355%0.54923%0.231SC..Hα-helixtrans-61.6-46.2178.9-68.3164.8000110.2L54 I55 G56 L60 A61 V62L54-I58 WeakPolarHBondContact O-CB 3.41Å; L54-I58 WeakPolarHBondContact O-CD1 3.3Å; L54-I58 VanDerWaalsContact O-CG1 3.22Å; L54-I58 WeakPolarHBondContact O-CG1 3.42Å; L54-I58 PolarHBondContact O-N 2.93Å; I55-I58 PolarHBondContact O-N 3.46Å; G56-I58 PolarHBondContact O-N 3.49Å; I58-L60 PolarHBondContact O-N 3.14Å; I58-A61 PolarHBondContact O-N 3.47Å; I58-V62 WeakPolarHBondContact O-CG2 3.37Å; I58-V62 PolarHBondContact O-N 3.27Å
59A97.4Very high95.1Very high10 Ų1042 Ų428%0.08323%0.232CC..Hα-helixtrans-60-44.6177.200000111.9I55 G56 V57 V62 V63I55-A59 WeakPolarHBondContact O-CB 3.33Å; I55-A59 PolarHBondContact O-N 2.97Å; G56-A59 PolarHBondContact O-N 3.04Å; V57-A59 PolarHBondContact O-N 3.47Å; A59-V62 PolarHBondContact O-N 3.23Å; A59-V63 WeakPolarHBondContact O-CG2 3.36Å; A59-V63 PolarHBondContact O-N 2.96Å; A59-V63 VanDerWaalsContact O-N 3.08Å
60L97Very high94.8Very high8 Ų842 Ų424%0.04223%0.233CC..Hα-helixtrans-66-36.2175.5-66.9-169.8000112.7L12 I16 I19 G56 V57 I58 V63 F64 L97L12-L60 HydrophobicContact CD1-CB 4.39Å; L12-L60 HydrophobicContact CD1-CD1 4.43Å; L12-L60 HydrophobicContact CD1-CD2 4.27Å; I16-L60 HydrophobicContact CD1-CB 4.07Å; I16-L60 HydrophobicContact CG1-CB 3.93Å; I19-L60 HydrophobicContact CD1-CD1 4.38Å; G56-L60 WeakPolarHBondContact O-CG 3.21Å; G56-L60 PolarHBondContact O-N 2.69Å; V57-L60 PolarHBondContact O-N 3.23Å; I58-L60 PolarHBondContact O-N 3.14Å; L60-V63 WeakPolarHBondContact O-CB 3.29Å; L60-V63 PolarHBondContact O-N 2.96Å; L60-F64 WeakPolarHBondContact O-CB 3.2Å; L60-F64 PolarHBondContact O-N 3.42Å; L60-L97 HydrophobicContact CD1-CD1 3.45Å; L60-L97 VanDerWaalsContact CD1-CD1 3.45Å; L60-L97 HydrophobicContact CG-CD1 4.26Å
61A96.6Very high94.4Very high35 Ų3545.2 Ų45.229%0.28925%0.249SC..Hα-helixtrans-64.3-40.9175.700000111.5V57 I58 V63 F64 L65V57-A61 WeakPolarHBondContact O-CB 3.11Å; V57-A61 PolarHBondContact O-N 3.38Å; I58-A61 PolarHBondContact O-N 3.47Å; A61-V63 VanDerWaalsContact C-N 3.33Å; A61-V63 PolarHBondContact O-N 2.94Å; A61-F64 WeakPolarHBondContact O-CB 3.34Å; A61-F64 PolarHBondContact O-N 2.89Å; A61-L65 WeakPolarHBondContact O-CG 3.44Å; A61-L65 PolarHBondContact O-N 3.48Å
62V96.4Very high94Very high61 Ų6149 Ų4937%0.3727%0.271SS..Hα-helixtrans-60-45.1172174.40000110.4I58 A59 F64 L65 L66 L89I58-V62 WeakPolarHBondContact O-CG2 3.37Å; I58-V62 PolarHBondContact O-N 3.27Å; A59-V62 PolarHBondContact O-N 3.23Å; V62-F64 VanDerWaalsContact C-N 3.32Å; V62-F64 PolarHBondContact O-N 2.88Å; V62-L65 PolarHBondContact O-N 3.44Å; V62-L66 HydrophobicContact CG1-CD1 4.3Å; V62-L66 HydrophobicContact CG1-CG 4.46Å; V62-L66 VanDerWaalsContact O-CG 3.32Å; V62-L66 WeakPolarHBondContact O-CG 3.25Å; V62-L66 PolarHBondContact O-N 3.2Å; V62-L89 HydrophobicContact CB-CD1 4.48Å; V62-L89 HydrophobicContact CG1-CD1 3.76Å
63V95.9Very high93.3Very high0 Ų048.3 Ų48.30%027%0.272CS..Hα-helixtrans-61.5-40.5176.1175.70000112L12 A59 L60 A61 L66 D67 R86 L89 L90L12-V63 HydrophobicContact CD2-CB 4.22Å; L12-V63 HydrophobicContact CD2-CG1 3.72Å; A59-V63 WeakPolarHBondContact O-CG2 3.36Å; A59-V63 PolarHBondContact O-N 2.96Å; A59-V63 VanDerWaalsContact O-N 3.08Å; L60-V63 WeakPolarHBondContact O-CB 3.29Å; L60-V63 PolarHBondContact O-N 2.96Å; A61-V63 VanDerWaalsContact C-N 3.33Å; A61-V63 PolarHBondContact O-N 2.94Å; V63-L66 WeakPolarHBondContact O-CB 3.34Å; V63-L66 PolarHBondContact O-N 2.82Å; V63-D67 WeakPolarHBondContact O-CB 3.27Å; V63-D67 PolarHBondContact O-N 3.45Å; V63-R86 HydrophobicContact CG1-CG 3.94Å; V63-L89 HydrophobicContact CG2-CB 3.46Å; V63-L89 VanDerWaalsContact CG2-CB 3.46Å; V63-L89 HydrophobicContact CG2-CD1 4.49Å; V63-L90 HydrophobicContact CG1-CB 4.33Å; V63-L90 HydrophobicContact CG1-CD1 4.11Å; V63-L90 HydrophobicContact CG2-CB 4.16Å
64F95Very high92.3Very high59 Ų5953.1 Ų53.126%0.25930%0.297SS..Hα-helixtrans-62.8-42.6176.5178.3-102.3000111.8T9 L12 I16 L60 A61 V62 D67 L68T9-F64 HydrophobicContact CG2-CD2 4.04Å; T9-F64 HydrophobicContact CG2-CE2 3.75Å; T9-F64 WeakPolarHBondContact O-CE2 3.41Å; L12-F64 HydrophobicContact CD2-CB 3.96Å; L12-F64 HydrophobicContact CD2-CD2 4.49Å; L12-F64 HydrophobicContact CG-CB 4.35Å; L12-F64 HydrophobicContact CG-CD2 4.46Å; I16-F64 HydrophobicContact CD1-CB 3.71Å; I16-F64 HydrophobicContact CD1-CG 4.22Å; L60-F64 WeakPolarHBondContact O-CB 3.2Å; L60-F64 PolarHBondContact O-N 3.42Å; A61-F64 WeakPolarHBondContact O-CB 3.34Å; A61-F64 PolarHBondContact O-N 2.89Å; V62-F64 VanDerWaalsContact C-N 3.32Å; V62-F64 PolarHBondContact O-N 2.88Å; F64-D67 PolarHBondContact O-N 3.31Å; F64-L68 HydrophobicContact CD1-CD1 3.97Å; F64-L68 HydrophobicContact CD1-CG 4.46Å; F64-L68 HydrophobicContact CE1-CD1 3.47Å; F64-L68 VanDerWaalsContact CE1-CD1 3.47Å; F64-L68 HydrophobicContact CE1-CG 4.12Å; F64-L68 HydrophobicContact CZ-CD1 3.91Å; F64-L68 HydrophobicContact CZ-CD2 4.27Å; F64-L68 HydrophobicContact CZ-CG 4.18Å; F64-L68 WeakPolarHBondContact O-CG 3.42Å; F64-L68 PolarHBondContact O-N 3.5Å
65L93.8Very high91.3Very high101 Ų10155.4 Ų55.453%0.52931%0.314SS..Hα-helixtrans-63.4-43.5174.3-69.8175.3000111.9A61 V62 D67 L68 I69A61-L65 WeakPolarHBondContact O-CG 3.44Å; A61-L65 PolarHBondContact O-N 3.48Å; V62-L65 PolarHBondContact O-N 3.44Å; L65-D67 VanDerWaalsContact C-N 3.33Å; L65-D67 PolarHBondContact O-N 2.99Å; L65-L68 PolarHBondContact O-N 3.35Å; L65-I69 VanDerWaalsContact O-CG1 3.3Å; L65-I69 WeakPolarHBondContact O-CG1 3.37Å; L65-I69 PolarHBondContact O-N 2.93Å
66L92.1Very high90.1Very high38 Ų3854.3 Ų54.320%0.19931%0.308CS..Hα-helixtrans-55.5-52172.6-69.1174.9000109.4V62 V63 L68 I69 G70 Y82 L89V62-L66 HydrophobicContact CG1-CD1 4.3Å; V62-L66 HydrophobicContact CG1-CG 4.46Å; V62-L66 VanDerWaalsContact O-CG 3.32Å; V62-L66 WeakPolarHBondContact O-CG 3.25Å; V62-L66 PolarHBondContact O-N 3.2Å; V63-L66 WeakPolarHBondContact O-CB 3.34Å; V63-L66 PolarHBondContact O-N 2.82Å; L66-L68 VanDerWaalsContact C-N 3.31Å; L66-L68 PolarHBondContact O-N 2.92Å; L66-I69 CarbonylContact O-C 3.55Å; L66-I69 WeakPolarHBondContact O-CA 3.33Å; L66-I69 WeakPolarHBondContact O-CB 3.5Å; L66-I69 PolarHBondContact O-N 2.78Å; L66-G70 PolarHBondContact O-N 3.27Å; L66-Y82 HydrophobicContact CB-CE2 3.81Å; L66-Y82 WeakPolarHBondContact CB-OH 3.46Å; L66-Y82 HydrophobicContact CD2-CD2 4.23Å; L66-Y82 HydrophobicContact CD2-CE2 3.73Å; L66-Y82 HydrophobicContact CG-CE2 4.24Å; L66-Y82 PolarHBondContact O-OH 3.3Å; L66-L89 HydrophobicContact CD1-CD1 4.32Å
67D91.1Very high88.9Confident14 Ų1455.2 Ų55.28%0.07531%0.313CS..Hα-helixtrans-57.6-39.8-179.7-79.7-7.7000113.2T9 V63 F64 L65 G70 L71 Y82 R86T9-D67 HydrophobicContact CG2-CB 4.04Å; V63-D67 WeakPolarHBondContact O-CB 3.27Å; V63-D67 PolarHBondContact O-N 3.45Å; F64-D67 PolarHBondContact O-N 3.31Å; L65-D67 VanDerWaalsContact C-N 3.33Å; L65-D67 PolarHBondContact O-N 2.99Å; D67-G70 PolarHBondContact O-N 3.49Å; D67-L71 WeakPolarHBondContact O-CG 3.4Å; D67-L71 PolarHBondContact O-N 2.91Å; D67-Y82 PolarHBondContact N-OH 3.49Å; D67-R86 IonicContact OD1-CZ 3.63Å; D67-R86 IonicContact OD1-NE 3.56Å; D67-R86 PolarHBondContact OD1-NE 2.89Å; D67-R86 IonicContact OD1-NH2 2.82Å; D67-R86 PolarHBondContact OD1-NH2 2.95Å; D67-R86 IonicContact OD2-CZ 3.12Å; D67-R86 IonicContact OD2-NE 3.37Å; D67-R86 IonicContact OD2-NH2 3.45Å; D67-R86 PolarHBondContact OD2-NH2 3.3Å
68L91.1Very high87.7Confident73 Ų7358.4 Ų58.438%0.38234%0.342SS..Hα-helixtrans-62.5-44.7173.3-71177000112.1T9 F64 L65 L66 G70 L71T9-L68 HydrophobicContact CG2-CD2 3.98Å; T9-L68 HydrophobicContact CG2-CG 4.42Å; F64-L68 HydrophobicContact CD1-CD1 3.97Å; F64-L68 HydrophobicContact CD1-CG 4.46Å; F64-L68 HydrophobicContact CE1-CD1 3.47Å; F64-L68 VanDerWaalsContact CE1-CD1 3.47Å; F64-L68 HydrophobicContact CE1-CG 4.12Å; F64-L68 HydrophobicContact CZ-CD1 3.91Å; F64-L68 HydrophobicContact CZ-CD2 4.27Å; F64-L68 HydrophobicContact CZ-CG 4.18Å; F64-L68 WeakPolarHBondContact O-CG 3.42Å; F64-L68 PolarHBondContact O-N 3.5Å; L65-L68 PolarHBondContact O-N 3.35Å; L66-L68 VanDerWaalsContact C-N 3.31Å; L66-L68 PolarHBondContact O-N 2.92Å; L68-G70 VanDerWaalsContact C-N 3.31Å; L68-G70 PolarHBondContact O-N 2.83Å; L68-L71 PolarHBondContact O-N 2.94Å
69I90Very high87.1Confident86 Ų8657.1 Ų57.144%0.44134%0.339SS..Hα-helixtrans-63.1-41.3176.2-64.4162.7000110.4L65 L66 L71 C72 S73 I76L65-I69 VanDerWaalsContact O-CG1 3.3Å; L65-I69 WeakPolarHBondContact O-CG1 3.37Å; L65-I69 PolarHBondContact O-N 2.93Å; L66-I69 CarbonylContact O-C 3.55Å; L66-I69 WeakPolarHBondContact O-CA 3.33Å; L66-I69 WeakPolarHBondContact O-CB 3.5Å; L66-I69 PolarHBondContact O-N 2.78Å; I69-L71 PolarHBondContact O-N 3.45Å; I69-C72 PolarHBondContact O-N 2.89Å; I69-S73 PolarHBondContact O-N 3.43Å; I69-I76 HydrophobicContact CG2-CD1 3.99Å
70G86.8Confident86.5Confident3 Ų360.2 Ų60.23%0.03137%0.365CS..Hα-helixtrans-67-20.6178.200000114.3L66 D67 L68 V77L66-G70 PolarHBondContact O-N 3.27Å; D67-G70 PolarHBondContact O-N 3.49Å; L68-G70 VanDerWaalsContact C-N 3.31Å; L68-G70 PolarHBondContact O-N 2.83Å; G70-V77 VanDerWaalsContact CA-CG2 3.43Å; G70-V77 WeakPolarHBondContact O-CG2 3.43Å
71L86Confident86Confident75 Ų7561.9 Ų61.939%0.39338%0.384SS..Hα-helixtrans-76.1-23.6170.2-72169.5000112.5R5 T9 D67 L68 I69R5-L71 HydrophobicContact CB-CD2 4.15Å; T9-L71 HydrophobicContact CG2-CD1 4.16Å; D67-L71 WeakPolarHBondContact O-CG 3.4Å; D67-L71 PolarHBondContact O-N 2.91Å; L68-L71 PolarHBondContact O-N 2.94Å; I69-L71 PolarHBondContact O-N 3.45Å
72C86.1Confident85.5Confident119 Ų11961.5 Ų61.580%0.80438%0.375SS*.Hα-helixtrans-89.7-21.9179-63.30000113.5I69I69-C72 PolarHBondContact O-N 2.89Å
73S82.6Confident85.2Confident39 Ų3961.1 Ų61.127%0.27337%0.373SS..  trans-146.6108.1-175.9-178.60000112.7I69 V75 I76I69-S73 PolarHBondContact O-N 3.43Å; S73-V75 PolarHBondContact O-N 2.92Å; S73-I76 PolarHBondContact O-N 3.41Å
74D75Confident85Confident104 Ų10464.8 Ų64.856%0.55640%0.395SS*.Hα-helixtrans-67.3-24.3176-78.6-47.8000113.1R5 I76 V77 A78R5-D74 IonicContact NH1-OD1 3.31Å; R5-D74 PolarHBondContact NH1-OD1 3.27Å; R5-D74 VanDerWaalsContact NH1-OD1 3.12Å; D74-I76 VanDerWaalsContact C-N 3.34Å; D74-I76 PolarHBondContact O-N 3.29Å; D74-V77 PolarHBondContact O-N 3.34Å; D74-A78 PolarHBondContact O-N 3.5Å
75V75.6Confident84.8Confident118 Ų11863.9 Ų63.972%0.71540%0.399SS*.Hα-helixtrans-64.3-40.3-179.1-176.80000111.2S73 A78S73-V75 PolarHBondContact O-N 2.92Å; V75-A78 PolarHBondContact O-N 2.94Å
76I70.7Confident84.7Confident72 Ų7261.1 Ų61.137%0.36938%0.381SS..Hα-helixtrans-68.5-40.4-179.7-60.7170.6000110I69 S73 D74 A78 T79 Y82I69-I76 HydrophobicContact CG2-CD1 3.99Å; S73-I76 PolarHBondContact O-N 3.41Å; D74-I76 VanDerWaalsContact C-N 3.34Å; D74-I76 PolarHBondContact O-N 3.29Å; I76-A78 PolarHBondContact O-N 2.73Å; I76-T79 WeakPolarHBondContact O-CB 3.48Å; I76-T79 PolarHBondContact O-N 2.94Å; I76-T79 PolarHBondContact O-OG1 3.4Å; I76-Y82 HydrophobicContact CG2-CD2 3.87Å; I76-Y82 HydrophobicContact CG2-CE2 4.29Å; I76-Y82 HydrophobicContact CG2-CG 4.35Å
77V72.4Confident84.8Confident18 Ų1863.7 Ų63.711%0.10939%0.391CS..Hα-helixtrans-68.1-23-176.9-170.90000112.4R5 G70 D74 T79 Y82 V83R5-V77 VanDerWaalsContact CZ-CG1 3.49Å; G70-V77 VanDerWaalsContact CA-CG2 3.43Å; G70-V77 WeakPolarHBondContact O-CG2 3.43Å; D74-V77 PolarHBondContact O-N 3.34Å; V77-T79 PolarHBondContact O-N 3.2Å; V77-Y82 HydrophobicContact CB-CE1 4.47Å; V77-Y82 HydrophobicContact CG1-CD1 4.33Å; V77-Y82 HydrophobicContact CG1-CE1 4.17Å; V77-Y82 HydrophobicContact CG2-CE1 4.17Å; V77-V83 WeakPolarHBondContact O-CG2 3.29Å
78A73.8Confident85.1Confident86 Ų8668.2 Ų68.271%0.71141%0.414SS*.THydrogen-bonded Turntrans-71-13.9174.500000113.3D74 V75 I76 A80D74-A78 PolarHBondContact O-N 3.5Å; V75-A78 PolarHBondContact O-N 2.94Å; I76-A78 PolarHBondContact O-N 2.73Å; A78-A80 PolarHBondContact O-N 3.26Å
79T84.5Confident85.3Confident80 Ų8067 Ų6749%0.49141%0.408SS..  trans-76.5121.4-179.1-53.60000110.2I76 V77 G81 Y82 V83I76-T79 WeakPolarHBondContact O-CB 3.48Å; I76-T79 PolarHBondContact O-N 2.94Å; I76-T79 PolarHBondContact O-OG1 3.4Å; V77-T79 PolarHBondContact O-N 3.2Å; T79-G81 PolarHBondContact O-N 3.48Å; T79-G81 VanDerWaalsContact O-N 3.13Å; T79-Y82 WeakPolarHBondContact O-CB 3.48Å; T79-Y82 PolarHBondContact O-N 3.29Å; T79-V83 PolarHBondContact O-N 2.96Å
80A83.7Confident85.6Confident76 Ų7664.9 Ų64.963%0.62840%0.397SS*.Hα-helixtrans-53.3-38.1-17900000112.9A78 Y82 V83 T84A78-A80 PolarHBondContact O-N 3.26Å; A80-Y82 VanDerWaalsContact C-N 3.34Å; A80-Y82 PolarHBondContact O-N 2.87Å; A80-V83 PolarHBondContact O-N 3.2Å; A80-T84 PolarHBondContact O-N 3.49Å; A80-T84 PolarHBondContact O-OG1 3.03Å
81G86.9Confident86.1Confident43 Ų4372.2 Ų72.244%0.44343%0.425SS..Hα-helixtrans-62.5-34.7177.100000114.4T79 T84 A85T79-G81 PolarHBondContact O-N 3.48Å; T79-G81 VanDerWaalsContact O-N 3.13Å; G81-T84 WeakPolarHBondContact CA-OG1 3.38Å; G81-T84 PolarHBondContact O-OG1 3.37Å; G81-T84 VanDerWaalsContact O-OG1 3.1Å; G81-A85 VanDerWaalsContact O-CB 3.23Å; G81-A85 WeakPolarHBondContact O-CB 3.46Å; G81-A85 PolarHBondContact O-N 3.33Å
82Y87.1Confident86.6Confident27 Ų2773.1 Ų73.111%0.10643%0.43CS..Hα-helixtrans-68.1-46.2176.8174.2-86.1000110.6L66 D67 I76 V77 T79 A80 R86L66-Y82 HydrophobicContact CB-CE2 3.81Å; L66-Y82 WeakPolarHBondContact CB-OH 3.46Å; L66-Y82 HydrophobicContact CD2-CD2 4.23Å; L66-Y82 HydrophobicContact CD2-CE2 3.73Å; L66-Y82 HydrophobicContact CG-CE2 4.24Å; L66-Y82 PolarHBondContact O-OH 3.3Å; D67-Y82 PolarHBondContact N-OH 3.49Å; I76-Y82 HydrophobicContact CG2-CD2 3.87Å; I76-Y82 HydrophobicContact CG2-CE2 4.29Å; I76-Y82 HydrophobicContact CG2-CG 4.35Å; V77-Y82 HydrophobicContact CB-CE1 4.47Å; V77-Y82 HydrophobicContact CG1-CD1 4.33Å; V77-Y82 HydrophobicContact CG1-CE1 4.17Å; V77-Y82 HydrophobicContact CG2-CE1 4.17Å; T79-Y82 WeakPolarHBondContact O-CB 3.48Å; T79-Y82 PolarHBondContact O-N 3.29Å; A80-Y82 VanDerWaalsContact C-N 3.34Å; A80-Y82 PolarHBondContact O-N 2.87Å; Y82-R86 VanDerWaalsContact O-CB 3.28Å; Y82-R86 WeakPolarHBondContact O-CB 3.34Å; Y82-R86 PolarHBondContact O-N 3.27Å
83V88.3Confident87.1Confident52 Ų5267.5 Ų67.532%0.31539%0.392SS..Hα-helixtrans-63-46-179.6178.10000110.9V77 T79 A80 R86 F87V77-V83 WeakPolarHBondContact O-CG2 3.29Å; T79-V83 PolarHBondContact O-N 2.96Å; A80-V83 PolarHBondContact O-N 3.2Å; V83-R86 PolarHBondContact O-N 3.35Å; V83-F87 HydrophobicContact CG1-CD2 3.76Å; V83-F87 HydrophobicContact CG1-CE2 3.49Å; V83-F87 VanDerWaalsContact CG1-CE2 3.49Å; V83-F87 WeakPolarHBondContact O-CD2 3.41Å; V83-F87 PolarHBondContact O-N 2.85Å; V83-F87 VanDerWaalsContact O-N 3.1Å
84T91.7Very high87.8Confident77 Ų7768.4 Ų68.447%0.47240%0.396SS..Hα-helixtrans-65.7-46.2178.748.50000112.3A80 G81 R86 F87 I88A80-T84 PolarHBondContact O-N 3.49Å; A80-T84 PolarHBondContact O-OG1 3.03Å; G81-T84 WeakPolarHBondContact CA-OG1 3.38Å; G81-T84 PolarHBondContact O-OG1 3.37Å; G81-T84 VanDerWaalsContact O-OG1 3.1Å; T84-R86 VanDerWaalsContact C-N 3.3Å; T84-R86 PolarHBondContact O-N 3.36Å; T84-F87 PolarHBondContact O-N 3.44Å; T84-I88 VanDerWaalsContact O-CG1 3.29Å; T84-I88 WeakPolarHBondContact O-CG1 3.34Å; T84-I88 PolarHBondContact O-N 3.43Å
85A91.6Very high88.8Confident41 Ų4165.8 Ų65.834%0.33939%0.389SS..Hα-helixtrans-58.5-43.9177.200000111.6G81 F87 I88 L89G81-A85 VanDerWaalsContact O-CB 3.23Å; G81-A85 WeakPolarHBondContact O-CB 3.46Å; G81-A85 PolarHBondContact O-N 3.33Å; A85-F87 PolarHBondContact O-N 3.49Å; A85-I88 PolarHBondContact O-N 2.89Å; A85-L89 WeakPolarHBondContact O-CB 3.31Å; A85-L89 WeakPolarHBondContact O-CG 3.28Å; A85-L89 PolarHBondContact O-N 3.24Å
86R92.7Very high89.9Confident42 Ų4261 Ų6116%0.15836%0.36CS..Hα-helixtrans-56.6-50175.8-174.7-166.2178.7-93.7-3.7111.7V63 D67 Y82 V83 T84 L90V63-R86 HydrophobicContact CG1-CG 3.94Å; D67-R86 IonicContact OD1-CZ 3.63Å; D67-R86 IonicContact OD1-NE 3.56Å; D67-R86 PolarHBondContact OD1-NE 2.89Å; D67-R86 IonicContact OD1-NH2 2.82Å; D67-R86 PolarHBondContact OD1-NH2 2.95Å; D67-R86 IonicContact OD2-CZ 3.12Å; D67-R86 IonicContact OD2-NE 3.37Å; D67-R86 IonicContact OD2-NH2 3.45Å; D67-R86 PolarHBondContact OD2-NH2 3.3Å; Y82-R86 VanDerWaalsContact O-CB 3.28Å; Y82-R86 WeakPolarHBondContact O-CB 3.34Å; Y82-R86 PolarHBondContact O-N 3.27Å; V83-R86 PolarHBondContact O-N 3.35Å; T84-R86 VanDerWaalsContact C-N 3.3Å; T84-R86 PolarHBondContact O-N 3.36Å; R86-L90 VanDerWaalsContact O-CB 3.24Å; R86-L90 WeakPolarHBondContact O-CB 3.3Å; R86-L90 PolarHBondContact O-N 2.87Å
87F93.7Very high91.1Very high93 Ų9358 Ų5841%0.40835%0.345SS..Hα-helixtrans-63.8-46.4179.7-79.6-61.9000111.8V83 T84 A85 L89 L90 Y91V83-F87 HydrophobicContact CG1-CD2 3.76Å; V83-F87 HydrophobicContact CG1-CE2 3.49Å; V83-F87 VanDerWaalsContact CG1-CE2 3.49Å; V83-F87 WeakPolarHBondContact O-CD2 3.41Å; V83-F87 PolarHBondContact O-N 2.85Å; V83-F87 VanDerWaalsContact O-N 3.1Å; T84-F87 PolarHBondContact O-N 3.44Å; A85-F87 PolarHBondContact O-N 3.49Å; F87-L89 PolarHBondContact O-N 3.29Å; F87-L90 PolarHBondContact O-N 3.48Å; F87-Y91 HydrophobicContact CB-CD2 4.28Å; F87-Y91 HydrophobicContact CB-CE2 4.35Å; F87-Y91 AromaticContact CD1-CE2 3.9Å; F87-Y91 HydrophobicContact CD1-CE2 3.9Å; F87-Y91 WeakPolarHBondContact O-CB 3.45Å; F87-Y91 WeakPolarHBondContact O-CD2 3.45Å; F87-Y91 PolarHBondContact O-N 2.99Å
88I96.3Very high92.2Very high108 Ų10860.4 Ų60.455%0.55436%0.36SS*.Hα-helixtrans-57.7-49.7179.7-68.7165.9000110.4T84 A85 L90 Y91 L92T84-I88 VanDerWaalsContact O-CG1 3.29Å; T84-I88 WeakPolarHBondContact O-CG1 3.34Å; T84-I88 PolarHBondContact O-N 3.43Å; A85-I88 PolarHBondContact O-N 2.89Å; I88-L90 PolarHBondContact O-N 3.03Å; I88-Y91 PolarHBondContact O-N 2.91Å; I88-L92 WeakPolarHBondContact O-CB 3.43Å; I88-L92 PolarHBondContact O-N 2.81Å
89L96.1Very high93.3Very high49 Ų4959.4 Ų59.426%0.25735%0.345SS..Hα-helixtrans-65.5-39.1-180-70.7171.7000112.4V62 V63 L66 A85 F87 G93V62-L89 HydrophobicContact CB-CD1 4.48Å; V62-L89 HydrophobicContact CG1-CD1 3.76Å; V63-L89 HydrophobicContact CG2-CB 3.46Å; V63-L89 VanDerWaalsContact CG2-CB 3.46Å; V63-L89 HydrophobicContact CG2-CD1 4.49Å; L66-L89 HydrophobicContact CD1-CD1 4.32Å; A85-L89 WeakPolarHBondContact O-CB 3.31Å; A85-L89 WeakPolarHBondContact O-CG 3.28Å; A85-L89 PolarHBondContact O-N 3.24Å; F87-L89 PolarHBondContact O-N 3.29Å; L89-G93 PolarHBondContact O-N 2.85Å
90L95.7Very high93.8Very high41 Ų4155.6 Ų55.622%0.21532%0.321CS..Hα-helixtrans-65.5-47.3178.7-172.3151.5000110.9V63 R86 F87 I88 T94V63-L90 HydrophobicContact CG1-CB 4.33Å; V63-L90 HydrophobicContact CG1-CD1 4.11Å; V63-L90 HydrophobicContact CG2-CB 4.16Å; R86-L90 VanDerWaalsContact O-CB 3.24Å; R86-L90 WeakPolarHBondContact O-CB 3.3Å; R86-L90 PolarHBondContact O-N 2.87Å; F87-L90 PolarHBondContact O-N 3.48Å; I88-L90 PolarHBondContact O-N 3.03Å; L90-T94 VanDerWaalsContact O-CB 3.27Å; L90-T94 WeakPolarHBondContact O-CB 3.3Å; L90-T94 PolarHBondContact O-N 3.38Å; L90-T94 PolarHBondContact O-OG1 2.69Å
91Y96.6Very high94.3Very high157 Ų15754.9 Ų54.962%0.61631%0.306SS*.Hα-helixtrans-67.4-44178.2-78.9-66.4000111.9F87 I88 T94 A95F87-Y91 HydrophobicContact CB-CD2 4.28Å; F87-Y91 HydrophobicContact CB-CE2 4.35Å; F87-Y91 AromaticContact CD1-CE2 3.9Å; F87-Y91 HydrophobicContact CD1-CE2 3.9Å; F87-Y91 WeakPolarHBondContact O-CB 3.45Å; F87-Y91 WeakPolarHBondContact O-CD2 3.45Å; F87-Y91 PolarHBondContact O-N 2.99Å; I88-Y91 PolarHBondContact O-N 2.91Å; Y91-T94 PolarHBondContact O-N 2.94Å; Y91-A95 VanDerWaalsContact O-CB 3.25Å; Y91-A95 WeakPolarHBondContact O-CB 3.28Å; Y91-A95 PolarHBondContact O-N 3.22Å
92L96.8Very high94.6Very high94 Ų9456 Ų5649%0.49230%0.302SS..Hα-helixtrans-62.4-49177.8-178.563.7000111.1I88 T94 A95 C96I88-L92 WeakPolarHBondContact O-CB 3.43Å; I88-L92 PolarHBondContact O-N 2.81Å; L92-T94 VanDerWaalsContact C-N 3.35Å; L92-T94 PolarHBondContact O-N 3.36Å; L92-A95 PolarHBondContact O-N 3.44Å; L92-C96 PolarHBondContact O-N 3.17Å; L92-C96 PolarHBondContact O-SG 3.5Å
93G97.2Very high94.8Very high0 Ų057.6 Ų57.60%031%0.314CS..Hα-helixtrans-61-44.1179.300000112.2G56 L89 C96 L97G56-G93 WeakPolarHBondContact CA-O 3.33Å; L89-G93 PolarHBondContact O-N 2.85Å; G93-C96 PolarHBondContact O-N 2.9Å; G93-L97 WeakPolarHBondContact O-CG 3.23Å; G93-L97 PolarHBondContact O-N 2.88Å
94T96.7Very high94.9Very high58 Ų5855.2 Ų55.236%0.35630%0.299SS..Hα-helixtrans-63.3-44.3175.7-55.40000111.6L90 Y91 L92 L97 V98L90-T94 VanDerWaalsContact O-CB 3.27Å; L90-T94 WeakPolarHBondContact O-CB 3.3Å; L90-T94 PolarHBondContact O-N 3.38Å; L90-T94 PolarHBondContact O-OG1 2.69Å; Y91-T94 PolarHBondContact O-N 2.94Å; L92-T94 VanDerWaalsContact C-N 3.35Å; L92-T94 PolarHBondContact O-N 3.36Å; T94-L97 PolarHBondContact O-N 2.93Å; T94-V98 HydrophobicContact CG2-CG2 4.24Å; T94-V98 WeakPolarHBondContact O-CB 3.33Å; T94-V98 VanDerWaalsContact O-CG2 3.28Å; T94-V98 WeakPolarHBondContact O-CG2 3.25Å; T94-V98 PolarHBondContact O-N 3.34Å
95A97Very high94.9Very high50 Ų5051.9 Ų51.941%0.41328%0.279SS..Hα-helixtrans-61.2-46.7177.800000111.2Y91 L92 L97 V98 T99Y91-A95 VanDerWaalsContact O-CB 3.25Å; Y91-A95 WeakPolarHBondContact O-CB 3.28Å; Y91-A95 PolarHBondContact O-N 3.22Å; L92-A95 PolarHBondContact O-N 3.44Å; A95-L97 VanDerWaalsContact C-N 3.35Å; A95-L97 PolarHBondContact O-N 2.96Å; A95-V98 PolarHBondContact O-N 3.19Å; A95-T99 WeakPolarHBondContact O-CB 3.36Å; A95-T99 PolarHBondContact O-N 2.97Å; A95-T99 PolarHBondContact O-OG1 3.44Å
96C97.5Very high94.8Very high17 Ų1751.3 Ų51.312%0.11528%0.278CS..Hα-helixtrans-57.9-45.3176.1-69.10000112.2L52 L92 G93 G100L52-C96 HydrophobicContact CD2-CB 4.43Å; L52-C96 WeakPolarHBondContact O-CB 3.31Å; L92-C96 PolarHBondContact O-N 3.17Å; L92-C96 PolarHBondContact O-SG 3.5Å; G93-C96 PolarHBondContact O-N 2.9Å; C96-G100 PolarHBondContact O-N 3.31Å
97L97.1Very high94.4Very high9 Ų956.6 Ų56.65%0.04730%0.302CS..Hα-helixtrans-61.3-51176.6-72.5168.7000112I19 L53 V57 L60 G93 T94 A95 T99 G100 I101I19-L97 HydrophobicContact CD1-CD1 3.64Å; I19-L97 HydrophobicContact CG2-CD2 3.84Å; L53-L97 HydrophobicContact CD2-CD2 3.85Å; V57-L97 HydrophobicContact CG2-CD2 4.05Å; L60-L97 HydrophobicContact CD1-CD1 3.45Å; L60-L97 VanDerWaalsContact CD1-CD1 3.45Å; L60-L97 HydrophobicContact CG-CD1 4.26Å; G93-L97 WeakPolarHBondContact O-CG 3.23Å; G93-L97 PolarHBondContact O-N 2.88Å; T94-L97 PolarHBondContact O-N 2.93Å; A95-L97 VanDerWaalsContact C-N 3.35Å; A95-L97 PolarHBondContact O-N 2.96Å; L97-T99 VanDerWaalsContact C-N 3.35Å; L97-T99 PolarHBondContact O-N 2.86Å; L97-G100 PolarHBondContact O-N 3.38Å; L97-I101 VanDerWaalsContact O-CG1 3.3Å; L97-I101 WeakPolarHBondContact O-CG1 3.44Å; L97-I101 PolarHBondContact O-N 3.4Å
98V96Very high94Very high69 Ų6954.3 Ų54.342%0.41829%0.291SS..Hα-helixtrans-61.7-44.7-179.2170.70000110.5T94 A95 I101 L102T94-V98 HydrophobicContact CG2-CG2 4.24Å; T94-V98 WeakPolarHBondContact O-CB 3.33Å; T94-V98 VanDerWaalsContact O-CG2 3.28Å; T94-V98 WeakPolarHBondContact O-CG2 3.25Å; T94-V98 PolarHBondContact O-N 3.34Å; A95-V98 PolarHBondContact O-N 3.19Å; V98-I101 PolarHBondContact O-N 3.49Å; V98-L102 HydrophobicContact CG1-CD1 3.68Å; V98-L102 HydrophobicContact CG1-CG 4.21Å; V98-L102 VanDerWaalsContact O-CB 3.28Å; V98-L102 WeakPolarHBondContact O-CB 3.27Å; V98-L102 VanDerWaalsContact O-CG 3.27Å; V98-L102 WeakPolarHBondContact O-CG 3.48Å; V98-L102 PolarHBondContact O-N 3.31Å
99T95.7Very high93.2Very high65 Ų6551.1 Ų51.140%0.39928%0.276SS..Hα-helixtrans-61.3-45.5175.7-58.70000111.2L52 A95 L97 I101 L102 V103L52-T99 HydrophobicContact CD1-CG2 4.11Å; A95-T99 WeakPolarHBondContact O-CB 3.36Å; A95-T99 PolarHBondContact O-N 2.97Å; A95-T99 PolarHBondContact O-OG1 3.44Å; L97-T99 VanDerWaalsContact C-N 3.35Å; L97-T99 PolarHBondContact O-N 2.86Å; T99-I101 PolarHBondContact O-N 3.44Å; T99-L102 PolarHBondContact O-N 2.9Å; T99-V103 HydrophobicContact CG2-CG2 4.21Å; T99-V103 WeakPolarHBondContact O-CB 3.32Å; T99-V103 VanDerWaalsContact O-CG2 3.22Å; T99-V103 WeakPolarHBondContact O-CG2 3.44Å; T99-V103 PolarHBondContact O-N 2.92Å
100G94.8Very high92.4Very high0 Ų055.6 Ų55.60%030%0.295CS..Hα-helixtrans-57.7-47.8176.500000112.4C96 L97 Y104C96-G100 PolarHBondContact O-N 3.31Å; L97-G100 PolarHBondContact O-N 3.38Å; G100-Y104 WeakPolarHBondContact O-CB 3.43Å; G100-Y104 PolarHBondContact O-N 2.9Å
101I93.9Very high92Very high61 Ų6156.8 Ų56.831%0.31331%0.305SS..Hα-helixtrans-66.9-40.8179-63.1167.8000111.5L53 L97 V98 T99 Y104 T105 F115L53-I101 HydrophobicContact CD2-CG1 3.96Å; L97-I101 VanDerWaalsContact O-CG1 3.3Å; L97-I101 WeakPolarHBondContact O-CG1 3.44Å; L97-I101 PolarHBondContact O-N 3.4Å; V98-I101 PolarHBondContact O-N 3.49Å; T99-I101 PolarHBondContact O-N 3.44Å; I101-Y104 PolarHBondContact O-N 2.94Å; I101-T105 WeakPolarHBondContact O-CB 3.06Å; I101-T105 PolarHBondContact O-N 2.93Å; I101-T105 PolarHBondContact O-OG1 3.32Å; I101-F115 HydrophobicContact CG2-CD2 4.08Å; I101-F115 HydrophobicContact CG2-CE2 3.56Å; I101-F115 HydrophobicContact CG2-CZ 4.46Å
102L93.2Very high91.6Very high66 Ų6654.9 Ų54.935%0.34630%0.296SS..Hα-helixtrans-64.2-46.6177.6-80.6172000112.1V98 T99 Y104 T105 G106 W112 F115V98-L102 HydrophobicContact CG1-CD1 3.68Å; V98-L102 HydrophobicContact CG1-CG 4.21Å; V98-L102 VanDerWaalsContact O-CB 3.28Å; V98-L102 WeakPolarHBondContact O-CB 3.27Å; V98-L102 VanDerWaalsContact O-CG 3.27Å; V98-L102 WeakPolarHBondContact O-CG 3.48Å; V98-L102 PolarHBondContact O-N 3.31Å; T99-L102 PolarHBondContact O-N 2.9Å; L102-Y104 VanDerWaalsContact C-N 3.29Å; L102-Y104 PolarHBondContact O-N 2.82Å; L102-T105 PolarHBondContact O-N 3.25Å; L102-G106 PolarHBondContact O-N 2.91Å; L102-W112 HydrophobicContact CD2-CZ3 4.1Å; L102-F115 HydrophobicContact CD2-CD1 4.44Å; L102-F115 HydrophobicContact CD2-CE1 3.44Å; L102-F115 VanDerWaalsContact CD2-CE1 3.44Å; L102-F115 HydrophobicContact CD2-CZ 3.64Å; L102-F115 HydrophobicContact CG-CE1 4.44Å; L102-F115 HydrophobicContact CG-CZ 4.17Å
103V92.3Very high91.3Very high60 Ų6055.2 Ų55.236%0.36431%0.306SS..Hα-helixtrans-61.7-42.6177.1175.10000109.8I49 T99 K107I49-V103 HydrophobicContact CD1-CG1 4.01Å; I49-V103 HydrophobicContact CG1-CB 4.24Å; I49-V103 HydrophobicContact CG1-CG1 3.94Å; T99-V103 HydrophobicContact CG2-CG2 4.21Å; T99-V103 WeakPolarHBondContact O-CB 3.32Å; T99-V103 VanDerWaalsContact O-CG2 3.22Å; T99-V103 WeakPolarHBondContact O-CG2 3.44Å; T99-V103 PolarHBondContact O-N 2.92Å; V103-K107 WeakPolarHBondContact O-CB 3.36Å; V103-K107 WeakPolarHBondContact O-CG 3.21Å; V103-K107 PolarHBondContact O-N 3.26Å
104Y91.1Very high90.9Very high2 Ų263.4 Ų63.41%0.00834%0.339CS..Hα-helixtrans-62.6-49.7176.6-175.9-92.1000112.1W28 R29 L33 I46 I49 G100 I101 L102 G106 K107 F108 D109W28-Y104 AromaticContact CE3-CD1 3.92Å; W28-Y104 HydrophobicContact CE3-CD1 3.92Å; W28-Y104 HydrophobicContact CE3-CD2 4.39Å; W28-Y104 AromaticContact CE3-CE1 3.45Å; W28-Y104 HydrophobicContact CE3-CE1 3.45Å; W28-Y104 VanDerWaalsContact CE3-CE1 3.45Å; W28-Y104 AromaticContact CE3-CE2 3.98Å; W28-Y104 HydrophobicContact CE3-CE2 3.98Å; W28-Y104 HydrophobicContact CE3-CG 4.39Å; W28-Y104 AromaticContact CE3-CZ 3.53Å; W28-Y104 AromaticContact CZ3-CD1 3.74Å; W28-Y104 HydrophobicContact CZ3-CD1 3.74Å; W28-Y104 HydrophobicContact CZ3-CD2 4.48Å; W28-Y104 AromaticContact CZ3-CE1 3.76Å; W28-Y104 HydrophobicContact CZ3-CE1 3.76Å; W28-Y104 HydrophobicContact CZ3-CG 4.14Å; R29-Y104 PolarHBondContact N-OH 3.41Å; L33-Y104 HydrophobicContact CD1-CD2 4.4Å; L33-Y104 HydrophobicContact CD1-CE2 4.25Å; I46-Y104 HydrophobicContact CD1-CD2 4.23Å; I46-Y104 HydrophobicContact CD1-CE2 4.16Å; I49-Y104 HydrophobicContact CD1-CD2 4.09Å; G100-Y104 WeakPolarHBondContact O-CB 3.43Å; G100-Y104 PolarHBondContact O-N 2.9Å; I101-Y104 PolarHBondContact O-N 2.94Å; L102-Y104 VanDerWaalsContact C-N 3.29Å; L102-Y104 PolarHBondContact O-N 2.82Å; Y104-G106 VanDerWaalsContact C-N 3.34Å; Y104-G106 PolarHBondContact O-N 3.32Å; Y104-K107 PolarHBondContact O-N 3.36Å; Y104-F108 HydrophobicContact CD2-CB 4.34Å; Y104-F108 AromaticContact CD2-CD2 3.7Å; Y104-F108 HydrophobicContact CD2-CD2 3.7Å; Y104-F108 HydrophobicContact CD2-CE2 4.41Å; Y104-F108 HydrophobicContact CD2-CG 4.26Å; Y104-F108 HydrophobicContact CE1-CB 4.41Å; Y104-F108 HydrophobicContact CE2-CB 3.95Å; Y104-F108 AromaticContact CE2-CD2 3.97Å; Y104-F108 HydrophobicContact CE2-CD2 3.97Å; Y104-F108 HydrophobicContact CE2-CG 4.07Å; Y104-F108 HydrophobicContact CG-CD2 4.29Å; Y104-F108 WeakPolarHBondContact O-CB 3.39Å; Y104-F108 PolarHBondContact O-N 2.69Å; Y104-D109 HydrophobicContact CE1-CB 4.42Å; Y104-D109 WeakPolarHBondContact CE1-OD1 3.37Å; Y104-D109 VanDerWaalsContact CE1-OD2 3.26Å; Y104-D109 WeakPolarHBondContact CE1-OD2 3.12Å; Y104-D109 PolarHBondContact OH-OD1 2.86Å
105T90.8Very high90.6Very high7 Ų762.3 Ų62.34%0.04333%0.329CS..Iπ-helixtrans-60.7-43.4-179.4-57.30000111.3I101 L102 Q110 W112 F115I101-T105 WeakPolarHBondContact O-CB 3.06Å; I101-T105 PolarHBondContact O-N 2.93Å; I101-T105 PolarHBondContact O-OG1 3.32Å; L102-T105 PolarHBondContact O-N 3.25Å; T105-Q110 WeakPolarHBondContact O-CA 3.14Å; T105-Q110 PolarHBondContact O-N 3.46Å; T105-W112 HydrophobicContact CG2-CD2 4.39Å; T105-W112 HydrophobicContact CG2-CE3 4.25Å; T105-W112 HydrophobicContact CG2-CZ3 4.47Å; T105-F115 HydrophobicContact CG2-CB 4Å; T105-F115 HydrophobicContact CG2-CG 4.18Å
106G88.5Confident90.5Very high30 Ų3065 Ų6531%0.30934%0.336SS..Iπ-helixtrans-71.4-31-179.100000114.2L102 Y104 W112L102-G106 PolarHBondContact O-N 2.91Å; Y104-G106 VanDerWaalsContact C-N 3.34Å; Y104-G106 PolarHBondContact O-N 3.32Å; G106-W112 VanDerWaalsContact CA-CZ2 3.4Å
107K86.3Confident90.4Very high152 Ų15267.5 Ų67.566%0.66136%0.358SS*.Iπ-helixtrans-93.4-36.6-177.4-72.6-74.8-178.6176.40113.9V103 Y104V103-K107 WeakPolarHBondContact O-CB 3.36Å; V103-K107 WeakPolarHBondContact O-CG 3.21Å; V103-K107 PolarHBondContact O-N 3.26Å; Y104-K107 PolarHBondContact O-N 3.36Å
108F84.3Confident90.2Very high45 Ų4570.2 Ų70.220%0.19738%0.375CS..Iπ-helixtrans-116.3-48.9-166-60.1-80.4000113.6R29 A45 I46 I49 Y104R29-F108 VanDerWaalsContact CD-O 3.24Å; R29-F108 WeakPolarHBondContact CD-O 3.49Å; A45-F108 HydrophobicContact CB-CZ 4.31Å; I46-F108 HydrophobicContact CD1-CD1 4.39Å; I46-F108 HydrophobicContact CD1-CD2 4.03Å; I46-F108 HydrophobicContact CD1-CE1 3.9Å; I46-F108 HydrophobicContact CD1-CE2 3.51Å; I46-F108 HydrophobicContact CD1-CG 4.44Å; I46-F108 HydrophobicContact CD1-CZ 3.43Å; I46-F108 VanDerWaalsContact CD1-CZ 3.43Å; I46-F108 HydrophobicContact CG1-CE1 4.26Å; I46-F108 HydrophobicContact CG1-CE2 4.26Å; I46-F108 HydrophobicContact CG1-CZ 3.77Å; I49-F108 HydrophobicContact CD1-CD2 4.27Å; I49-F108 HydrophobicContact CD1-CE2 3.75Å; Y104-F108 HydrophobicContact CD2-CB 4.34Å; Y104-F108 AromaticContact CD2-CD2 3.7Å; Y104-F108 HydrophobicContact CD2-CD2 3.7Å; Y104-F108 HydrophobicContact CD2-CE2 4.41Å; Y104-F108 HydrophobicContact CD2-CG 4.26Å; Y104-F108 HydrophobicContact CE1-CB 4.41Å; Y104-F108 HydrophobicContact CE2-CB 3.95Å; Y104-F108 AromaticContact CE2-CD2 3.97Å; Y104-F108 HydrophobicContact CE2-CD2 3.97Å; Y104-F108 HydrophobicContact CE2-CG 4.07Å; Y104-F108 HydrophobicContact CG-CD2 4.29Å; Y104-F108 WeakPolarHBondContact O-CB 3.39Å; Y104-F108 PolarHBondContact O-N 2.69Å
109D79.3Confident90.1Very high42 Ų4269.3 Ų69.323%0.22537%0.369CS..Iπ-helixtrans-85.3-39.1-173.4-78.5-1.2000113.2R29 Y104 T111R29-D109 WeakPolarHBondContact CB-OD1 3.48Å; R29-D109 PolarHBondContact NH1-O 2.84Å; Y104-D109 HydrophobicContact CE1-CB 4.42Å; Y104-D109 WeakPolarHBondContact CE1-OD1 3.37Å; Y104-D109 VanDerWaalsContact CE1-OD2 3.26Å; Y104-D109 WeakPolarHBondContact CE1-OD2 3.12Å; Y104-D109 PolarHBondContact OH-OD1 2.86Å; D109-T111 PolarHBondContact O-N 3.31Å
110Q79.1Confident90.1Very high142 Ų14268.1 Ų68.166%0.66437%0.37SS*.  trans56.29.2-174.5-57.3-1809.200114.9T105 W112T105-Q110 WeakPolarHBondContact O-CA 3.14Å; T105-Q110 PolarHBondContact O-N 3.46Å; Q110-W112 PolarHBondContact O-N 3.23Å
111T87.5Confident90.2Very high67 Ų6769.9 Ų69.941%0.41139%0.388SS..  trans-83.757.6178.353.10000111.7D109 S113 Y114 F115D109-T111 PolarHBondContact O-N 3.31Å; T111-S113 VanDerWaalsContact C-N 3.26Å; T111-S113 PolarHBondContact O-N 3.31Å; T111-Y114 PolarHBondContact O-N 3.27Å; T111-F115 PolarHBondContact O-N 3.3Å
112W88.2Confident90.2Very high116 Ų11670.5 Ų70.544%0.43940%0.395SS..Hα-helixtrans-55.3-39-176.8-73.5105.5000113.2L102 T105 G106 Q110 Y114 F115 L116L102-W112 HydrophobicContact CD2-CZ3 4.1Å; T105-W112 HydrophobicContact CG2-CD2 4.39Å; T105-W112 HydrophobicContact CG2-CE3 4.25Å; T105-W112 HydrophobicContact CG2-CZ3 4.47Å; G106-W112 VanDerWaalsContact CA-CZ2 3.4Å; Q110-W112 PolarHBondContact O-N 3.23Å; W112-Y114 PolarHBondContact O-N 3.14Å; W112-F115 HydrophobicContact CE3-CD1 4.38Å; W112-F115 PolarHBondContact O-N 3.23Å; W112-L116 WeakPolarHBondContact O-CB 3.27Å; W112-L116 VanDerWaalsContact O-CG 3.26Å; W112-L116 WeakPolarHBondContact O-CG 3.22Å; W112-L116 PolarHBondContact O-N 3.18Å
113S91.2Very high90.2Very high101 Ų10173.2 Ų73.271%0.70640%0.404SS*.Hα-helixtrans-62.9-43.3-179.7-50.40000112.8T111 A117T111-S113 VanDerWaalsContact C-N 3.26Å; T111-S113 PolarHBondContact O-N 3.31Å; S113-A117 VanDerWaalsContact O-CB 3.29Å; S113-A117 WeakPolarHBondContact O-CB 3.44Å; S113-A117 PolarHBondContact O-N 2.99Å
114Y89.2Confident90.4Very high173 Ų17373.3 Ų73.368%0.67841%0.411SS*.Hα-helixtrans-66.1-43.2177.9175.5-99000111.4T111 W112 T118T111-Y114 PolarHBondContact O-N 3.27Å; W112-Y114 PolarHBondContact O-N 3.14Å; Y114-T118 WeakPolarHBondContact O-CB 3.28Å; Y114-T118 PolarHBondContact O-N 3.49Å; Y114-T118 PolarHBondContact O-OG1 3.42Å
115F90.6Very high90.4Very high35 Ų3579.5 Ų79.515%0.15444%0.441CS..Hα-helixtrans-61.9-50.4177.2174-102.9000111.6I101 L102 T105 T111 W112 A117 T118 V119I101-F115 HydrophobicContact CG2-CD2 4.08Å; I101-F115 HydrophobicContact CG2-CE2 3.56Å; I101-F115 HydrophobicContact CG2-CZ 4.46Å; L102-F115 HydrophobicContact CD2-CD1 4.44Å; L102-F115 HydrophobicContact CD2-CE1 3.44Å; L102-F115 VanDerWaalsContact CD2-CE1 3.44Å; L102-F115 HydrophobicContact CD2-CZ 3.64Å; L102-F115 HydrophobicContact CG-CE1 4.44Å; L102-F115 HydrophobicContact CG-CZ 4.17Å; T105-F115 HydrophobicContact CG2-CB 4Å; T105-F115 HydrophobicContact CG2-CG 4.18Å; T111-F115 PolarHBondContact O-N 3.3Å; W112-F115 HydrophobicContact CE3-CD1 4.38Å; W112-F115 PolarHBondContact O-N 3.23Å; F115-A117 PolarHBondContact O-N 2.98Å; F115-T118 PolarHBondContact O-N 3.15Å; F115-V119 HydrophobicContact CD1-CG2 4.4Å; F115-V119 HydrophobicContact CD2-CG2 4.27Å; F115-V119 HydrophobicContact CE1-CG2 3.96Å; F115-V119 HydrophobicContact CE2-CG2 3.8Å; F115-V119 HydrophobicContact CZ-CG2 3.64Å; F115-V119 WeakPolarHBondContact O-CG2 3.01Å; F115-V119 PolarHBondContact O-N 3.22Å
116L93.8Very high90.4Very high107 Ų10784.2 Ų84.256%0.5646%0.463SS*.Hα-helixtrans-63.2-39.7179.9-71.3172.8000112.4W112 V119 G120W112-L116 WeakPolarHBondContact O-CB 3.27Å; W112-L116 VanDerWaalsContact O-CG 3.26Å; W112-L116 WeakPolarHBondContact O-CG 3.22Å; W112-L116 PolarHBondContact O-N 3.18Å; L116-V119 PolarHBondContact O-N 2.9Å; L116-G120 PolarHBondContact O-N 3.42Å
117A95.4Very high90.6Very high69 Ų6987.4 Ų87.457%0.5748%0.476SS*.Hα-helixtrans-62.8-42.5174.800000111.8S113 F115 G120 G121S113-A117 VanDerWaalsContact O-CB 3.29Å; S113-A117 WeakPolarHBondContact O-CB 3.44Å; S113-A117 PolarHBondContact O-N 2.99Å; F115-A117 PolarHBondContact O-N 2.98Å; A117-G120 PolarHBondContact O-N 3.02Å; A117-G121 PolarHBondContact O-N 3.46Å
118T93.1Very high90.9Very high66 Ų6682.6 Ų82.641%0.40547%0.465SS..Hα-helixtrans-63.9-46.7177.3-56.80000111.3Y114 F115 G121 V122Y114-T118 WeakPolarHBondContact O-CB 3.28Å; Y114-T118 PolarHBondContact O-N 3.49Å; Y114-T118 PolarHBondContact O-OG1 3.42Å; F115-T118 PolarHBondContact O-N 3.15Å; T118-G121 PolarHBondContact O-N 2.92Å; T118-V122 WeakPolarHBondContact O-CG2 3.34Å; T118-V122 PolarHBondContact O-N 3.01Å
119V94.4Very high91Very high49 Ų4982.9 Ų82.930%0.29747%0.468SS..Hα-helixtrans-61.2-45176.2171.90000111.2F115 L116 G121 V122 F123F115-V119 HydrophobicContact CD1-CG2 4.4Å; F115-V119 HydrophobicContact CD2-CG2 4.27Å; F115-V119 HydrophobicContact CE1-CG2 3.96Å; F115-V119 HydrophobicContact CE2-CG2 3.8Å; F115-V119 HydrophobicContact CZ-CG2 3.64Å; F115-V119 WeakPolarHBondContact O-CG2 3.01Å; F115-V119 PolarHBondContact O-N 3.22Å; L116-V119 PolarHBondContact O-N 2.9Å; V119-G121 VanDerWaalsContact C-N 3.31Å; V119-G121 PolarHBondContact O-N 2.89Å; V119-V122 PolarHBondContact O-N 3.34Å; V119-F123 HydrophobicContact CG1-CD2 3.76Å; V119-F123 HydrophobicContact CG1-CE2 3.54Å; V119-F123 VanDerWaalsContact O-CD2 3.31Å; V119-F123 WeakPolarHBondContact O-CD2 2.91Å; V119-F123 PolarHBondContact O-N 2.87Å
120G95.3Very high91.4Very high40 Ų4086.6 Ų86.641%0.41249%0.487SS..Hα-helixtrans-58.7-41.9174.600000112.4L116 A117 V122 F123 A124L116-G120 PolarHBondContact O-N 3.42Å; A117-G120 PolarHBondContact O-N 3.02Å; G120-V122 PolarHBondContact O-N 3.16Å; G120-F123 PolarHBondContact O-N 2.83Å; G120-A124 WeakPolarHBondContact O-CB 3.05Å; G120-A124 PolarHBondContact O-N 2.95Å
121G97Very high91.8Very high37 Ų3782.4 Ų82.438%0.38148%0.477SS..Hα-helixtrans-61.5-40.3174.200000113.2A117 T118 V119 A124 M125A117-G121 PolarHBondContact O-N 3.46Å; T118-G121 PolarHBondContact O-N 2.92Å; V119-G121 VanDerWaalsContact C-N 3.31Å; V119-G121 PolarHBondContact O-N 2.89Å; G121-A124 PolarHBondContact O-N 3.33Å; G121-M125 WeakPolarHBondContact O-CG 3.26Å; G121-M125 PolarHBondContact O-N 2.82Å
122V93.7Very high91.7Very high75 Ų7584.2 Ų84.246%0.45548%0.483SS..Hα-helixtrans-64.4-44.5175.3173.50000111.2T118 V119 G120 M125 Q126T118-V122 WeakPolarHBondContact O-CG2 3.34Å; T118-V122 PolarHBondContact O-N 3.01Å; V119-V122 PolarHBondContact O-N 3.34Å; G120-V122 PolarHBondContact O-N 3.16Å; V122-M125 WeakPolarHBondContact O-CB 3.35Å; V122-M125 PolarHBondContact O-N 3.39Å; V122-Q126 WeakPolarHBondContact O-CG 3.08Å; V122-Q126 PolarHBondContact O-N 3.44Å
123F93.8Very high91.2Very high123 Ų12381.7 Ų81.754%0.53948%0.477SS..Hα-helixtrans-64.2-40.3175-78.6-64000112.3V119 G120 M125 Q126 V127V119-F123 HydrophobicContact CG1-CD2 3.76Å; V119-F123 HydrophobicContact CG1-CE2 3.54Å; V119-F123 VanDerWaalsContact O-CD2 3.31Å; V119-F123 WeakPolarHBondContact O-CD2 2.91Å; V119-F123 PolarHBondContact O-N 2.87Å; G120-F123 PolarHBondContact O-N 2.83Å; F123-M125 VanDerWaalsContact C-N 3.32Å; F123-M125 PolarHBondContact O-N 3.48Å; F123-Q126 WeakPolarHBondContact O-CB 3.29Å; F123-Q126 PolarHBondContact O-N 3.41Å; F123-V127 WeakPolarHBondContact O-CG2 3.33Å; F123-V127 PolarHBondContact O-N 3.45Å
124A96.1Very high90.7Very high62 Ų6281.2 Ų81.251%0.51247%0.474SS..Hα-helixtrans-60.3-42.3174.800000111.7G120 G121 V127 A128G120-A124 WeakPolarHBondContact O-CB 3.05Å; G120-A124 PolarHBondContact O-N 2.95Å; G121-A124 PolarHBondContact O-N 3.33Å; A124-V127 PolarHBondContact O-N 3.39Å; A124-A128 WeakPolarHBondContact O-CB 3.34Å; A124-A128 PolarHBondContact O-N 3.47Å
125M91.6Very high90.3Very high132 Ų13274.9 Ų74.965%0.6546%0.455SS*.Hα-helixtrans-61.4-43.3173.2-76.8-111.2-75.700112.3G121 V122 F123 V127 A128 I129G121-M125 WeakPolarHBondContact O-CG 3.26Å; G121-M125 PolarHBondContact O-N 2.82Å; V122-M125 WeakPolarHBondContact O-CB 3.35Å; V122-M125 PolarHBondContact O-N 3.39Å; F123-M125 VanDerWaalsContact C-N 3.32Å; F123-M125 PolarHBondContact O-N 3.48Å; M125-V127 PolarHBondContact O-N 3.23Å; M125-A128 PolarHBondContact O-N 2.96Å; M125-I129 VanDerWaalsContact O-CG1 3.3Å; M125-I129 WeakPolarHBondContact O-CG1 3.34Å; M125-I129 PolarHBondContact O-N 3.45Å
126Q90.7Very high89.2Confident105 Ų10583.3 Ų83.349%0.49149%0.485SS..Hα-helixtrans-60.9-43.8176.5-70.7172.912.300111.9V122 F123 I129 L130V122-Q126 WeakPolarHBondContact O-CG 3.08Å; V122-Q126 PolarHBondContact O-N 3.44Å; F123-Q126 WeakPolarHBondContact O-CB 3.29Å; F123-Q126 PolarHBondContact O-N 3.41Å; Q126-I129 PolarHBondContact O-N 3.25Å; Q126-L130 WeakPolarHBondContact O-CB 3.13Å; Q126-L130 PolarHBondContact O-N 3.15Å
127V92.5Very high87.9Confident98 Ų9884 Ų8459%0.59450%0.498SS*.Hα-helixtrans-64-42176.5173.10000111.1F123 A124 M125 I129 L130 A131F123-V127 WeakPolarHBondContact O-CG2 3.33Å; F123-V127 PolarHBondContact O-N 3.45Å; A124-V127 PolarHBondContact O-N 3.39Å; M125-V127 PolarHBondContact O-N 3.23Å; V127-I129 PolarHBondContact O-N 3.01Å; V127-L130 PolarHBondContact O-N 2.9Å; V127-A131 WeakPolarHBondContact O-CB 2.89Å; V127-A131 PolarHBondContact O-N 3.46Å
128A91.7Very high86.3Confident51 Ų5185.6 Ų85.642%0.42150%0.496SS..Hα-helixtrans-61-45.3176.900000111.8A124 M125 A131 I132A124-A128 WeakPolarHBondContact O-CB 3.34Å; A124-A128 PolarHBondContact O-N 3.47Å; M125-A128 PolarHBondContact O-N 2.96Å; A128-A131 PolarHBondContact O-N 3.38Å; A128-I132 WeakPolarHBondContact O-CG1 3.44Å; A128-I132 PolarHBondContact O-N 2.01Å
129I87.2Confident84.6Confident51 Ų5186.4 Ų86.426%0.26250%0.504SS..Hα-helixtrans-61.5-47.4176-67.3164.6000110.2L7 L11 M125 Q126 V127 A131 I132 M133L7-I129 HydrophobicContact CD2-CG2 4.21Å; L11-I129 HydrophobicContact CD1-CD1 4.08Å; M125-I129 VanDerWaalsContact O-CG1 3.3Å; M125-I129 WeakPolarHBondContact O-CG1 3.34Å; M125-I129 PolarHBondContact O-N 3.45Å; Q126-I129 PolarHBondContact O-N 3.25Å; V127-I129 PolarHBondContact O-N 3.01Å; I129-A131 VanDerWaalsContact C-N 3.31Å; I129-A131 PolarHBondContact O-N 3.33Å; I129-I132 PolarHBondContact O-N 2.76Å; I129-M133 HydrophobicContact CG2-CG 4.45Å; I129-M133 HydrophobicContact CG2-SD 3.66Å; I129-M133 WeakPolarHBondContact O-CG 3.49Å; I129-M133 PolarHBondContact O-N 2.83Å
130L87Confident82.9Confident119 Ų11988.8 Ų88.862%0.62352%0.518SS*.Hα-helixtrans-60.4-39.4178.3-175.565.1000112.4Q126 V127 M133 S134Q126-L130 WeakPolarHBondContact O-CB 3.13Å; Q126-L130 PolarHBondContact O-N 3.15Å; V127-L130 PolarHBondContact O-N 2.9Å; L130-M133 PolarHBondContact O-N 3.34Å; L130-S134 PolarHBondContact O-N 2.78Å; L130-S134 PolarHBondContact O-OG 2.84Å
131A87.7Confident80.9Confident55 Ų5598.1 Ų98.146%0.45554%0.541SS..Hα-helixtrans-66.6-40.5177.500000112.5V127 A128 I129 M133 S134 S135V127-A131 WeakPolarHBondContact O-CB 2.89Å; V127-A131 PolarHBondContact O-N 3.46Å; A128-A131 PolarHBondContact O-N 3.38Å; I129-A131 VanDerWaalsContact C-N 3.31Å; I129-A131 PolarHBondContact O-N 3.33Å; A131-M133 VanDerWaalsContact C-N 3.3Å; A131-M133 PolarHBondContact O-N 3.37Å; A131-S134 PolarHBondContact O-N 3.19Å; A131-S134 PolarHBondContact O-OG 3.05Å; A131-S135 PolarHBondContact O-N 2.88Å; A131-S135 VanDerWaalsContact O-N 3.14Å
132I84.7Confident78.9Confident105 Ų105102 Ų10254%0.53856%0.558SS.*Hα-helixtrans-61-44.4173.8-67.8164.9000109.7A128 I129 S134 S135 I138A128-I132 WeakPolarHBondContact O-CG1 3.44Å; A128-I132 PolarHBondContact O-N 2.01Å; I129-I132 PolarHBondContact O-N 2.76Å; I132-S134 PolarHBondContact O-N 3.24Å; I132-S135 VanDerWaalsContact O-CB 3.31Å; I132-S135 WeakPolarHBondContact O-CB 3.48Å; I132-S135 PolarHBondContact O-N 3.2Å; I132-S135 PolarHBondContact O-OG 3.44Å; I132-I138 HydrophobicContact CG2-CD1 4.12Å; I132-I138 VanDerWaalsContact O-CD1 3.27Å; I132-I138 WeakPolarHBondContact O-CD1 3.24Å
133M79.1Confident77.1Confident62 Ų62106.4 Ų106.431%0.30557%0.573SS.*Hα-helixtrans-69.7-31.1-177.2-64.9172.885.400113.7L4 I129 L130 A131 S135L4-M133 HydrophobicContact CB-CE 4.14Å; L4-M133 HydrophobicContact CD1-CE 4.33Å; L4-M133 HydrophobicContact CD2-CE 3.13Å; L4-M133 HydrophobicContact CG-CE 3.22Å; I129-M133 HydrophobicContact CG2-CG 4.45Å; I129-M133 HydrophobicContact CG2-SD 3.66Å; I129-M133 WeakPolarHBondContact O-CG 3.49Å; I129-M133 PolarHBondContact O-N 2.83Å; L130-M133 PolarHBondContact O-N 3.34Å; A131-M133 VanDerWaalsContact C-N 3.3Å; A131-M133 PolarHBondContact O-N 3.37Å; M133-S135 VanDerWaalsContact C-N 3.34Å
134S80.5Confident75.3Confident92 Ų92111.3 Ų111.364%0.64359%0.588SS**Hα-helixtrans-84.4-8.2175.166.20000113.4L130 A131 I132L130-S134 PolarHBondContact O-N 2.78Å; L130-S134 PolarHBondContact O-OG 2.84Å; A131-S134 PolarHBondContact O-N 3.19Å; A131-S134 PolarHBondContact O-OG 3.05Å; I132-S134 PolarHBondContact O-N 3.24Å
135S80Confident73.7Confident40 Ų40114 Ų11428%0.2860%0.598SS.*SBendtrans-64.1137-179.376.30000112.1A131 I132 M133 C137 I138A131-S135 PolarHBondContact O-N 2.88Å; A131-S135 VanDerWaalsContact O-N 3.14Å; I132-S135 VanDerWaalsContact O-CB 3.31Å; I132-S135 WeakPolarHBondContact O-CB 3.48Å; I132-S135 PolarHBondContact O-N 3.2Å; I132-S135 PolarHBondContact O-OG 3.44Å; M133-S135 VanDerWaalsContact C-N 3.34Å; S135-C137 PolarHBondContact O-N 3.37Å; S135-C137 VanDerWaalsContact O-N 3.15Å; S135-I138 PolarHBondContact O-N 3.21Å; S135-I138 VanDerWaalsContact O-N 3.15Å
136R67.8Low72.4Confident212 Ų212113.7 Ų113.780%0.860%0.603SS**Hα-helixtrans-61.2-25.3-179.6-64.3-158.1-177.6-153.23.3113I138 S139 V140R136-I138 PolarHBondContact O-N 2.98Å; R136-I138 VanDerWaalsContact O-N 3.11Å; R136-S139 PolarHBondContact O-N 3.4Å; R136-V140 HydrophobicContact CB-CG2 4.45Å; R136-V140 WeakPolarHBondContact O-CG2 3.26Å; R136-V140 PolarHBondContact O-N 3.07Å
137C66.2Low71.2Confident122 Ų122114.5 Ų114.582%0.82462%0.615SS**Hα-helixtrans-55.1-30176.9-60.20000112.8S135S135-C137 PolarHBondContact O-N 3.37Å; S135-C137 VanDerWaalsContact O-N 3.15Å
138I61.6Low70Confident101 Ų101120.4 Ų120.452%0.51863%0.627SS.*Hα-helixtrans-87.9-36.1177.3-59.6-179.6000111.4I132 S135 R136I132-I138 HydrophobicContact CG2-CD1 4.12Å; I132-I138 VanDerWaalsContact O-CD1 3.27Å; I132-I138 WeakPolarHBondContact O-CD1 3.24Å; S135-I138 PolarHBondContact O-N 3.21Å; S135-I138 VanDerWaalsContact O-N 3.15Å; R136-I138 PolarHBondContact O-N 2.98Å; R136-I138 VanDerWaalsContact O-N 3.11Å
139S59Low69.1Low84 Ų84123.1 Ų123.159%0.58764%0.643SS**Hα-helixtrans-80.2-23-173.5-163.50000114.8R136 R141 T142R136-S139 PolarHBondContact O-N 3.4Å; S139-R141 PolarHBondContact O-N 3.35Å; S139-R141 VanDerWaalsContact O-N 3.16Å; S139-T142 PolarHBondContact O-OG1 3.31Å; S139-T142 VanDerWaalsContact O-OG1 3.06Å
140V57.2Low68.3Low98 Ų98127.3 Ų127.359%0.59467%0.67SS**G310 helixtrans-64.7-18.4-176167.90000113.1R136 T142 E143R136-V140 HydrophobicContact CB-CG2 4.45Å; R136-V140 WeakPolarHBondContact O-CG2 3.26Å; R136-V140 PolarHBondContact O-N 3.07Å; V140-T142 PolarHBondContact O-N 2.87Å; V140-E143 PolarHBondContact O-N 3.4Å
141R54.1Low67.3Low237 Ų237136.4 Ų136.489%0.89470%0.697SS**G310 helixtrans-64.3-8.3-178.6-144.1179.6-156.6-178.96.5114.6S139S139-R141 PolarHBondContact O-N 3.35Å; S139-R141 VanDerWaalsContact O-N 3.16Å
142T54.7Low66.2Low119 Ų119140.5 Ų140.573%0.7371%0.709SS**G310 helixtrans-100.9-18.3-174.6-5.90000114.8S139 V140 R144S139-T142 PolarHBondContact O-OG1 3.31Å; S139-T142 VanDerWaalsContact O-OG1 3.06Å; V140-T142 PolarHBondContact O-N 2.87Å; T142-R144 VanDerWaalsContact C-N 3.33Å; T142-R144 PolarHBondContact O-N 2.89Å; T142-R144 VanDerWaalsContact O-N 3.07Å
143E55.4Low65.3Low166 Ų166142.3 Ų142.378%0.77672%0.718SS**  trans-85.779172.2-77.9-173.116200109.5V140 V145V140-E143 PolarHBondContact O-N 3.4Å; E143-V145 VanDerWaalsContact C-N 3.27Å; E143-V145 PolarHBondContact O-N 2.97Å
144R57.1Low64.5Low227 Ų227146.8 Ų146.886%0.85774%0.74SS**  trans-63.799.7156-76.4-176.7179.9147.5-0.7106.5T142 V146T142-R144 VanDerWaalsContact C-N 3.33Å; T142-R144 PolarHBondContact O-N 2.89Å; T142-R144 VanDerWaalsContact O-N 3.07Å; R144-V146 PolarHBondContact O-N 2.88Å
145V61.3Low63.6Low117 Ų117150 Ų15071%0.70975%0.746SS**  trans-57.5101.5168.5-179.80000107E143 V147E143-V145 VanDerWaalsContact C-N 3.27Å; E143-V145 PolarHBondContact O-N 2.97Å; V145-V147 HydrophobicContact CG1-CG2 3.87Å; V145-V147 PolarHBondContact O-N 3.01Å
146V64.4Low62.5Low126 Ų126156.9 Ų156.976%0.76478%0.775SS**  trans-72.589.9169.1-177.30000105.8R144 R148R144-V146 PolarHBondContact O-N 2.88Å; V146-R148 VanDerWaalsContact C-N 3.33Å; V146-R148 PolarHBondContact O-N 3.21Å
147V66.8Low62.2Low122 Ų122153.2 Ų153.274%0.73977%0.774SS**  trans-65.498.4170.6-176.30000106.5V145 S149V145-V147 HydrophobicContact CG1-CG2 3.87Å; V145-V147 PolarHBondContact O-N 3.01Å; V147-S149 PolarHBondContact O-N 2.98Å
148R66.8Low61.9Low223 Ų223155.4 Ų155.484%0.84277%0.77SS**  trans-65.2104.5167.4-96.1-177.4172160.5-2.2107.3V146 T150V146-R148 VanDerWaalsContact C-N 3.33Å; V146-R148 PolarHBondContact O-N 3.21Å; R148-T150 PolarHBondContact O-N 3.23Å; R148-T150 VanDerWaalsContact O-N 3.12Å
149S72.6Confident61.9Low108 Ų108159.6 Ų159.676%0.75579%0.789SS**  trans-65.1105.2163.2165.80000107.7V147 R151V147-S149 PolarHBondContact O-N 2.98Å; S149-R151 PolarHBondContact O-N 3.48Å
150T71.2Confident62.2Low138 Ų138165.9 Ų165.985%0.84781%0.806SS**  trans-76.3112.3160.642.80000107.2R148R148-T150 PolarHBondContact O-N 3.23Å; R148-T150 VanDerWaalsContact O-N 3.12Å
151R64.7Low62.6Low310 Ų310172.1 Ų172.1100%1.1783%0.826SS**  trans-103.50162.4-166.8-177.9-159.6-176.56.3108.6S149S149-R151 PolarHBondContact O-N 3.48Å

Retrieved 151 of 151 residues in 292.7 ms (Link to these results)

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