A0A087XTW7_POEFO Loading...

Tetraspanin

AlphaFold DB (A0A3B3VFW9), UniProt , Accession A0A087XTW7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 239 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
1M49.8Very low75.4Confident226 Ų22695.8 Ų95.8100%1.11352%0.519SS*.  0-50.20-79.5179.1-124.300113.7R3 G4 C5M1-R3 PolarHBondContact O-N 3.12Å; M1-G4 PolarHBondContact O-N 3.32Å; M1-C5 PolarHBondContact O-N 3.48Å
2A62.3Low76.5Confident77 Ų7793.8 Ų93.864%0.63651%0.507SS*.Hα-helixtrans-57.4-39.1-175.100000115.8L6A2-L6 PolarHBondContact O-N 3.36Å
3R67Low77.5Confident227 Ų22787.1 Ų87.186%0.85747%0.471SS*.Hα-helixtrans-69.3-34.2-177.7-150.9175.2-171.3-177.41.8113.5M1 C7M1-R3 PolarHBondContact O-N 3.12Å; R3-C7 PolarHBondContact O-N 3.3Å
4G73.2Confident78.6Confident52 Ų5284.3 Ų84.354%0.53645%0.452SS..Hα-helixtrans-72.1-40.9176.900000112.6M1 L6 C7 C8M1-G4 PolarHBondContact O-N 3.32Å; G4-L6 PolarHBondContact O-N 3.19Å; G4-C7 WeakPolarHBondContact O-CB 3.48Å; G4-C7 PolarHBondContact O-N 3.28Å; G4-C8 PolarHBondContact O-N 3.05Å
5C77.1Confident79.5Confident76 Ų7684.5 Ų84.551%0.51445%0.452SS..Hα-helixtrans-61.1-42.8174.9-175.30000111.8M1 C7 C8 L9M1-C5 PolarHBondContact O-N 3.48Å; C5-C7 PolarHBondContact O-N 3.08Å; C5-C8 WeakPolarHBondContact O-CB 3.48Å; C5-C8 PolarHBondContact O-N 2.99Å; C5-L9 WeakPolarHBondContact O-CG 3.32Å; C5-L9 PolarHBondContact O-N 3.48Å
6L76.4Confident80.3Confident39 Ų3986.2 Ų86.220%0.20445%0.454CS..Hα-helixtrans-66.5-36.7177-113.291.2000113.9A2 G4 C8 L9 K10 H229A2-L6 PolarHBondContact O-N 3.36Å; G4-L6 PolarHBondContact O-N 3.19Å; L6-C8 VanDerWaalsContact C-N 3.33Å; L6-L9 PolarHBondContact O-N 2.92Å; L6-K10 WeakPolarHBondContact O-CB 3.5Å; L6-K10 PolarHBondContact O-N 3.02Å; L6-H229 HydrophobicContact CD2-CB 3.65Å; L6-H229 WeakPolarHBondContact CD2-CD2 3.5Å; L6-H229 VanDerWaalsContact CD2-CE1 3.49Å; L6-H229 WeakPolarHBondContact CD2-CE1 3.5Å; L6-H229 VanDerWaalsContact CD2-ND1 3.27Å; L6-H229 WeakPolarHBondContact CD2-ND1 3.43Å; L6-H229 WeakPolarHBondContact CD2-NE2 3.41Å
7C80Confident81.1Confident62 Ų6281.9 Ų81.942%0.41943%0.432SS..Hα-helixtrans-62.6-45.2174.7-1530000110.1R3 G4 C5 K10 Y11R3-C7 PolarHBondContact O-N 3.3Å; G4-C7 WeakPolarHBondContact O-CB 3.48Å; G4-C7 PolarHBondContact O-N 3.28Å; C5-C7 PolarHBondContact O-N 3.08Å; C7-K10 PolarHBondContact O-N 3.41Å; C7-Y11 WeakPolarHBondContact O-CD2 3.49Å; C7-Y11 PolarHBondContact O-N 3.21Å; C7-Y11 VanDerWaalsContact O-N 3.08Å; C7-Y11 VanDerWaalsContact SG-CE2 3.58Å
8C84.9Confident81.9Confident71 Ų7180.7 Ų80.748%0.4843%0.425SS..Hα-helixtrans-59.3-47.8174.9-1740000112G4 C5 L6 K10 Y11 L12G4-C8 PolarHBondContact O-N 3.05Å; C5-C8 WeakPolarHBondContact O-CB 3.48Å; C5-C8 PolarHBondContact O-N 2.99Å; L6-C8 VanDerWaalsContact C-N 3.33Å; C8-K10 VanDerWaalsContact C-N 3.33Å; C8-K10 PolarHBondContact O-N 3.28Å; C8-Y11 PolarHBondContact O-N 2.99Å; C8-L12 WeakPolarHBondContact O-CB 3.49Å; C8-L12 VanDerWaalsContact O-CG 3.31Å; C8-L12 WeakPolarHBondContact O-CG 3.27Å; C8-L12 PolarHBondContact O-N 2.87Å
9L84Confident82.6Confident42 Ų4281.1 Ų81.122%0.2243%0.426CS..Hα-helixtrans-58.2-42.4176.6-73.5171.1000112.5C5 L6 M13 F222C5-L9 WeakPolarHBondContact O-CG 3.32Å; C5-L9 PolarHBondContact O-N 3.48Å; L6-L9 PolarHBondContact O-N 2.92Å; L9-M13 WeakPolarHBondContact O-CB 3.32Å; L9-M13 PolarHBondContact O-N 2.94Å; L9-F222 HydrophobicContact CD2-CD1 3.9Å; L9-F222 HydrophobicContact CD2-CE1 3.67Å; L9-F222 HydrophobicContact CD2-CG 4.46Å; L9-F222 HydrophobicContact CD2-CZ 4.05Å
10K86.1Confident83.1Confident44 Ų4481.2 Ų81.219%0.19142%0.423CS..Hα-helixtrans-61.1-49.5177176.9179.7172.4168.90111.7L6 C7 C8 M13 F14 A75 E78L6-K10 WeakPolarHBondContact O-CB 3.5Å; L6-K10 PolarHBondContact O-N 3.02Å; C7-K10 PolarHBondContact O-N 3.41Å; C8-K10 VanDerWaalsContact C-N 3.33Å; C8-K10 PolarHBondContact O-N 3.28Å; K10-M13 PolarHBondContact O-N 2.73Å; K10-F14 WeakPolarHBondContact O-CB 3.22Å; K10-F14 PolarHBondContact O-N 3.47Å; K10-A75 WeakPolarHBondContact CE-O 3.24Å; K10-E78 IonicContact NZ-OE1 3.31Å; K10-E78 PolarHBondContact NZ-OE1 3.03Å
11Y88.4Confident83.8Confident138 Ų13881.5 Ų81.554%0.54142%0.419SS..Hα-helixtrans-68.2-40.5-179.6-77-70.4000112.3C7 C8 F14 I15C7-Y11 WeakPolarHBondContact O-CD2 3.49Å; C7-Y11 PolarHBondContact O-N 3.21Å; C7-Y11 VanDerWaalsContact O-N 3.08Å; C7-Y11 VanDerWaalsContact SG-CE2 3.58Å; C8-Y11 PolarHBondContact O-N 2.99Å; Y11-F14 PolarHBondContact O-N 3.34Å; Y11-I15 WeakPolarHBondContact O-CB 3.38Å; Y11-I15 VanDerWaalsContact O-CG1 3.24Å; Y11-I15 WeakPolarHBondContact O-CG1 3.43Å; Y11-I15 PolarHBondContact O-N 3.49Å
12L88.8Confident86.1Confident72 Ų7275.4 Ų75.438%0.37739%0.391SS..Hα-helixtrans-60.6-50174-72.4171.7000110.7C8 F14 I15 F16C8-L12 WeakPolarHBondContact O-CB 3.49Å; C8-L12 VanDerWaalsContact O-CG 3.31Å; C8-L12 WeakPolarHBondContact O-CG 3.27Å; C8-L12 PolarHBondContact O-N 2.87Å; L12-F14 VanDerWaalsContact C-N 3.29Å; L12-F14 PolarHBondContact O-N 3.48Å; L12-I15 PolarHBondContact O-N 3.39Å; L12-F16 HydrophobicContact CB-CD2 4.37Å; L12-F16 HydrophobicContact CB-CE2 4.43Å; L12-F16 HydrophobicContact CD2-CE2 4.23Å; L12-F16 WeakPolarHBondContact O-CD2 3.44Å; L12-F16 PolarHBondContact O-N 3.02Å
13M89.8Confident87.7Confident6 Ų674.9 Ų74.93%0.0338%0.382CS..Hα-helixtrans-57.3-43.2177.4-177.1177.4173.200111.3L9 K10 N17 A75 L83 F86 F222 L226L9-M13 WeakPolarHBondContact O-CB 3.32Å; L9-M13 PolarHBondContact O-N 2.94Å; K10-M13 PolarHBondContact O-N 2.73Å; M13-N17 WeakPolarHBondContact O-CB 3.41Å; M13-N17 PolarHBondContact O-N 2.96Å; M13-N17 PolarHBondContact O-ND2 2.97Å; M13-A75 HydrophobicContact CG-CB 4.22Å; M13-A75 HydrophobicContact SD-CB 4.19Å; M13-L83 HydrophobicContact CE-CD2 3.67Å; M13-L83 HydrophobicContact SD-CD2 4.41Å; M13-F86 HydrophobicContact CE-CD1 3.85Å; M13-F86 HydrophobicContact CE-CE1 3.7Å; M13-F86 HydrophobicContact CE-CZ 4.49Å; M13-F222 HydrophobicContact SD-CB 4.34Å; M13-L226 HydrophobicContact SD-CD2 4.24Å
14F92Very high89.1Confident48 Ų4864.1 Ų64.121%0.21134%0.341CS..Hα-helixtrans-62.8-50.6176.3173.7-108.6000112.3K10 Y11 L12 F16 N17 L18 C72 A75 I76K10-F14 WeakPolarHBondContact O-CB 3.22Å; K10-F14 PolarHBondContact O-N 3.47Å; Y11-F14 PolarHBondContact O-N 3.34Å; L12-F14 VanDerWaalsContact C-N 3.29Å; L12-F14 PolarHBondContact O-N 3.48Å; F14-F16 PolarHBondContact O-N 2.97Å; F14-N17 PolarHBondContact O-N 3.42Å; F14-L18 HydrophobicContact CE1-CD2 4.17Å; F14-L18 HydrophobicContact CZ-CD2 4.06Å; F14-L18 VanDerWaalsContact O-CB 3.32Å; F14-L18 WeakPolarHBondContact O-CB 3.35Å; F14-L18 PolarHBondContact O-N 3.15Å; F14-C72 HydrophobicContact CD2-CB 3.96Å; F14-C72 HydrophobicContact CE2-CB 3.93Å; F14-A75 HydrophobicContact CB-CB 4.46Å; F14-I76 HydrophobicContact CD1-CD1 4.21Å; F14-I76 HydrophobicContact CD2-CD1 3.31Å; F14-I76 HydrophobicContact CD2-CG1 3.53Å; F14-I76 HydrophobicContact CE1-CD1 4.02Å; F14-I76 HydrophobicContact CE2-CD1 3.1Å; F14-I76 HydrophobicContact CE2-CG1 3.89Å; F14-I76 HydrophobicContact CG-CD1 3.88Å; F14-I76 HydrophobicContact CG-CG1 3.96Å; F14-I76 HydrophobicContact CZ-CD1 3.48Å; F14-I76 VanDerWaalsContact CZ-CD1 3.48Å
15I93Very high90.2Very high87 Ų8763.9 Ų63.945%0.44633%0.33SS..Hα-helixtrans-61.8-46-177.5-68.2165000110.8Y11 L12 L18 I19Y11-I15 WeakPolarHBondContact O-CB 3.38Å; Y11-I15 VanDerWaalsContact O-CG1 3.24Å; Y11-I15 WeakPolarHBondContact O-CG1 3.43Å; Y11-I15 PolarHBondContact O-N 3.49Å; L12-I15 PolarHBondContact O-N 3.39Å; I15-L18 PolarHBondContact O-N 3.45Å; I15-I19 HydrophobicContact CG2-CD1 4.18Å; I15-I19 WeakPolarHBondContact O-CG1 3.18Å; I15-I19 PolarHBondContact O-N 2.94Å
16F91.8Very high91.2Very high112 Ų11262.1 Ų62.149%0.49133%0.326SS..Hα-helixtrans-62.1-46.8178-80.3-65.7000111.9L12 F14 L18 I19 F20L12-F16 HydrophobicContact CB-CD2 4.37Å; L12-F16 HydrophobicContact CB-CE2 4.43Å; L12-F16 HydrophobicContact CD2-CE2 4.23Å; L12-F16 WeakPolarHBondContact O-CD2 3.44Å; L12-F16 PolarHBondContact O-N 3.02Å; F14-F16 PolarHBondContact O-N 2.97Å; F16-L18 VanDerWaalsContact C-N 3.26Å; F16-L18 PolarHBondContact O-N 3.31Å; F16-I19 PolarHBondContact O-N 3.31Å; F16-F20 WeakPolarHBondContact O-CD2 3.17Å; F16-F20 PolarHBondContact O-N 3.42Å
17N93.9Very high92Very high14 Ų1463.7 Ų63.78%0.07533%0.334CS..Hα-helixtrans-66.4-28.9178.1-79.3-76.7000112.7M13 F14 F20 W21 C72 F86M13-N17 WeakPolarHBondContact O-CB 3.41Å; M13-N17 PolarHBondContact O-N 2.96Å; M13-N17 PolarHBondContact O-ND2 2.97Å; F14-N17 PolarHBondContact O-N 3.42Å; N17-F20 PolarHBondContact O-N 3.35Å; N17-W21 WeakPolarHBondContact O-CB 3.24Å; N17-W21 PolarHBondContact O-N 3.14Å; N17-C72 VanDerWaalsContact CB-SG 3.54Å; N17-F86 VanDerWaalsContact OD1-CE2 3.32Å; N17-F86 WeakPolarHBondContact OD1-CE2 3.38Å; N17-F86 WeakPolarHBondContact OD1-CZ 3.36Å
18L95.1Very high92.7Very high59 Ų5961.9 Ų61.931%0.30932%0.32SS..Hα-helixtrans-68.5-41.2175.8-17866.7000110.8F14 I15 F16 W21 L22 C72F14-L18 HydrophobicContact CE1-CD2 4.17Å; F14-L18 HydrophobicContact CZ-CD2 4.06Å; F14-L18 VanDerWaalsContact O-CB 3.32Å; F14-L18 WeakPolarHBondContact O-CB 3.35Å; F14-L18 PolarHBondContact O-N 3.15Å; I15-L18 PolarHBondContact O-N 3.45Å; F16-L18 VanDerWaalsContact C-N 3.26Å; F16-L18 PolarHBondContact O-N 3.31Å; L18-W21 HydrophobicContact CD1-CE3 3.92Å; L18-W21 HydrophobicContact CD1-CZ3 4.42Å; L18-W21 PolarHBondContact O-N 2.86Å; L18-L22 WeakPolarHBondContact O-CG 3.32Å; L18-L22 PolarHBondContact O-N 3.11Å; L18-C72 VanDerWaalsContact CA-SG 3.51Å; L18-C72 PolarHBondContact N-SG 3.46Å
19I95.3Very high93.1Very high88 Ų8860.4 Ų60.445%0.45132%0.317SS..Hα-helixtrans-61.2-48.2173.7-65.6165.2000109.8I15 F16 W21 L22 C23I15-I19 HydrophobicContact CG2-CD1 4.18Å; I15-I19 WeakPolarHBondContact O-CG1 3.18Å; I15-I19 PolarHBondContact O-N 2.94Å; F16-I19 PolarHBondContact O-N 3.31Å; I19-W21 VanDerWaalsContact C-N 3.32Å; I19-W21 PolarHBondContact O-N 3.14Å; I19-L22 PolarHBondContact O-N 2.92Å; I19-C23 WeakPolarHBondContact O-CB 3.38Å; I19-C23 PolarHBondContact O-N 3.05Å; I19-C23 PolarHBondContact O-SG 3.18Å
20F94.1Very high93.4Very high84 Ų8462.3 Ų62.337%0.36833%0.33SS..Hα-helixtrans-59.3-42.3176.3-77.3-64.1000112.4F16 N17 L22 C23 G24 V64 V215F16-F20 WeakPolarHBondContact O-CD2 3.17Å; F16-F20 PolarHBondContact O-N 3.42Å; N17-F20 PolarHBondContact O-N 3.35Å; F20-L22 PolarHBondContact O-N 3.47Å; F20-C23 PolarHBondContact O-N 2.98Å; F20-G24 PolarHBondContact O-N 2.99Å; F20-V64 HydrophobicContact CB-CG1 4.35Å; F20-V64 HydrophobicContact CD1-CG1 4.42Å; F20-V64 VanDerWaalsContact O-CG1 3.28Å; F20-V64 WeakPolarHBondContact O-CG1 3.31Å; F20-V215 HydrophobicContact CE2-CG1 3.95Å; F20-V215 HydrophobicContact CZ-CG1 3.79Å
21W97Very high93.5Very high87 Ų8760.2 Ų60.233%0.3332%0.321SS..Hα-helixtrans-59.3-47.7176.4177.772.1000112N17 L18 I19 C23 G24 C25N17-W21 WeakPolarHBondContact O-CB 3.24Å; N17-W21 PolarHBondContact O-N 3.14Å; L18-W21 HydrophobicContact CD1-CE3 3.92Å; L18-W21 HydrophobicContact CD1-CZ3 4.42Å; L18-W21 PolarHBondContact O-N 2.86Å; I19-W21 VanDerWaalsContact C-N 3.32Å; I19-W21 PolarHBondContact O-N 3.14Å; W21-C23 PolarHBondContact O-N 3.12Å; W21-G24 PolarHBondContact O-N 3.25Å; W21-C25 PolarHBondContact O-N 3.22Å; W21-C25 PolarHBondContact O-SG 3Å; W21-C25 VanDerWaalsContact O-SG 3.36Å
22L97.2Very high93.5Very high99 Ų9958 Ų5852%0.51832%0.318SS..Hα-helixtrans-62.2-42.7176.6-69.2174.1000112.1L18 I19 F20 G24 C25 G26L18-L22 WeakPolarHBondContact O-CG 3.32Å; L18-L22 PolarHBondContact O-N 3.11Å; I19-L22 PolarHBondContact O-N 2.92Å; F20-L22 PolarHBondContact O-N 3.47Å; L22-G24 VanDerWaalsContact C-N 3.32Å; L22-G24 PolarHBondContact O-N 3.46Å; L22-C25 PolarHBondContact O-N 3.37Å; L22-G26 PolarHBondContact O-N 2.74Å
23C96.2Very high93.3Very high66 Ų6663.3 Ų63.345%0.44633%0.333SS..Hα-helixtrans-60.6-41.8173.6-700000111.6I19 F20 W21 G26 L27I19-C23 WeakPolarHBondContact O-CB 3.38Å; I19-C23 PolarHBondContact O-N 3.05Å; I19-C23 PolarHBondContact O-SG 3.18Å; F20-C23 PolarHBondContact O-N 2.98Å; W21-C23 PolarHBondContact O-N 3.12Å; C23-G26 PolarHBondContact O-N 3.16Å; C23-L27 WeakPolarHBondContact O-CG 3.47Å; C23-L27 PolarHBondContact O-N 3.44Å
24G96.7Very high92.8Very high0 Ų065 Ų650%034%0.341CS..Hα-helixtrans-61-44.3175.500000112.5F20 W21 L22 G26 L27 L28F20-G24 PolarHBondContact O-N 2.99Å; W21-G24 PolarHBondContact O-N 3.25Å; L22-G24 VanDerWaalsContact C-N 3.32Å; L22-G24 PolarHBondContact O-N 3.46Å; G24-G26 VanDerWaalsContact C-N 3.34Å; G24-G26 PolarHBondContact O-N 3.48Å; G24-L27 PolarHBondContact O-N 3.08Å; G24-L28 WeakPolarHBondContact O-CB 3.39Å; G24-L28 WeakPolarHBondContact O-CG 3.4Å; G24-L28 PolarHBondContact O-N 3.37Å
25C97Very high92.1Very high47 Ų4764.3 Ų64.332%0.31834%0.343SS..Hα-helixtrans-61.2-41.7173.5-65.10000112.1W21 L22 L28 G29 M65W21-C25 PolarHBondContact O-N 3.22Å; W21-C25 PolarHBondContact O-SG 3Å; W21-C25 VanDerWaalsContact O-SG 3.36Å; L22-C25 PolarHBondContact O-N 3.37Å; C25-L28 PolarHBondContact O-N 3.3Å; C25-G29 PolarHBondContact O-N 3.47Å; C25-M65 VanDerWaalsContact SG-SD 3.69Å
26G96.6Very high91.3Very high40 Ų4065.7 Ų65.741%0.41236%0.355SS..Hα-helixtrans-62.5-48.4175.800000112.6L22 C23 G24 L28 G29 V30L22-G26 PolarHBondContact O-N 2.74Å; C23-G26 PolarHBondContact O-N 3.16Å; G24-G26 VanDerWaalsContact C-N 3.34Å; G24-G26 PolarHBondContact O-N 3.48Å; G26-L28 VanDerWaalsContact C-N 3.35Å; G26-L28 PolarHBondContact O-N 2.88Å; G26-G29 PolarHBondContact O-N 2.88Å; G26-V30 WeakPolarHBondContact O-CG2 3.26Å; G26-V30 PolarHBondContact O-N 3.29Å
27L94.6Very high90.2Very high72 Ų7263 Ų6338%0.37735%0.35SS..Hα-helixtrans-61.2-42.6177.2-73.2174.8000111.8C23 G24 V30 G31 V57C23-L27 WeakPolarHBondContact O-CG 3.47Å; C23-L27 PolarHBondContact O-N 3.44Å; G24-L27 PolarHBondContact O-N 3.08Å; L27-V30 PolarHBondContact O-N 2.96Å; L27-G31 PolarHBondContact O-N 2.94Å; L27-V57 WeakPolarHBondContact O-CG1 3.31Å
28L94.3Very high88.4Confident23 Ų2365.1 Ų65.112%0.1236%0.36CS..Hα-helixtrans-60-46.7173.5-83.2173.6000112.3G24 C25 G26 V30 G31 I32 I58 A62 M65G24-L28 WeakPolarHBondContact O-CB 3.39Å; G24-L28 WeakPolarHBondContact O-CG 3.4Å; G24-L28 PolarHBondContact O-N 3.37Å; C25-L28 PolarHBondContact O-N 3.3Å; G26-L28 VanDerWaalsContact C-N 3.35Å; G26-L28 PolarHBondContact O-N 2.88Å; L28-V30 PolarHBondContact O-N 3.46Å; L28-G31 PolarHBondContact O-N 3Å; L28-I32 WeakPolarHBondContact O-CB 3.41Å; L28-I32 VanDerWaalsContact O-CG1 3.27Å; L28-I32 WeakPolarHBondContact O-CG1 3.44Å; L28-I32 PolarHBondContact O-N 3.34Å; L28-I58 HydrophobicContact CD2-CB 4.47Å; L28-I58 HydrophobicContact CD2-CG2 3.87Å; L28-I58 WeakPolarHBondContact CD2-O 3.41Å; L28-A62 HydrophobicContact CD2-CB 4.02Å; L28-M65 HydrophobicContact CD1-CB 4.14Å; L28-M65 HydrophobicContact CD1-CE 3.48Å; L28-M65 VanDerWaalsContact CD1-CE 3.48Å; L28-M65 HydrophobicContact CD1-CG 4.45Å; L28-M65 HydrophobicContact CD1-SD 3.49Å; L28-M65 WeakPolarHBondContact CD1-SD 3.49Å
29G93.4Very high86.6Confident41 Ų4164.1 Ų64.142%0.42336%0.363SS..Hα-helixtrans-58.7-47177.800000112C25 G26 I32 W33C25-G29 PolarHBondContact O-N 3.47Å; G26-G29 PolarHBondContact O-N 2.88Å; G29-I32 PolarHBondContact O-N 3.3Å; G29-W33 VanDerWaalsContact O-CB 3.29Å; G29-W33 WeakPolarHBondContact O-CB 3.37Å; G29-W33 PolarHBondContact O-N 3.4Å
30V90.3Very high84.5Confident81 Ų8163.2 Ų63.249%0.49137%0.365SS..Hα-helixtrans-63.2-44.2175.91730000111.3G26 L27 L28 W33 L34G26-V30 WeakPolarHBondContact O-CG2 3.26Å; G26-V30 PolarHBondContact O-N 3.29Å; L27-V30 PolarHBondContact O-N 2.96Å; L28-V30 PolarHBondContact O-N 3.46Å; V30-W33 PolarHBondContact O-N 3.01Å; V30-L34 HydrophobicContact CG1-CD1 3.91Å; V30-L34 HydrophobicContact CG1-CG 4.29Å; V30-L34 WeakPolarHBondContact O-CB 3.2Å; V30-L34 VanDerWaalsContact O-CG 3.28Å; V30-L34 WeakPolarHBondContact O-CG 3.32Å; V30-L34 PolarHBondContact O-N 3.45Å
31G87.9Confident82.3Confident0 Ų061.1 Ų61.10%036%0.355CS..Hα-helixtrans-61.3-45.3178.600000112.8L27 L28 L34 S35 I58L27-G31 PolarHBondContact O-N 2.94Å; L28-G31 PolarHBondContact O-N 3Å; G31-L34 PolarHBondContact O-N 3.32Å; G31-S35 WeakPolarHBondContact O-CB 3.15Å; G31-S35 PolarHBondContact O-N 3.41Å; G31-I58 VanDerWaalsContact C-CG1 3.45Å
32I88.1Confident80.1Confident93 Ų9357.8 Ų57.848%0.47735%0.347SS..Hα-helixtrans-64.3-45175.5-66.9166.5000110.3L28 G29 L34 S35 V36 I58L28-I32 WeakPolarHBondContact O-CB 3.41Å; L28-I32 VanDerWaalsContact O-CG1 3.27Å; L28-I32 WeakPolarHBondContact O-CG1 3.44Å; L28-I32 PolarHBondContact O-N 3.34Å; G29-I32 PolarHBondContact O-N 3.3Å; I32-L34 VanDerWaalsContact C-N 3.34Å; I32-L34 PolarHBondContact O-N 2.94Å; I32-S35 PolarHBondContact O-N 3.29Å; I32-V36 HydrophobicContact CG2-CG2 4.27Å; I32-V36 WeakPolarHBondContact O-CG2 3.5Å; I32-V36 PolarHBondContact O-N 2.93Å; I32-I58 HydrophobicContact CG1-CD1 4.29Å; I32-I58 HydrophobicContact CG1-CG1 4.36Å
33W86.1Confident78Confident183 Ų18354.1 Ų54.169%0.69333%0.329SS*.Hα-helixtrans-58-45.8176.5177.9-93.4000111.7G29 V30 V36 S37G29-W33 VanDerWaalsContact O-CB 3.29Å; G29-W33 WeakPolarHBondContact O-CB 3.37Å; G29-W33 PolarHBondContact O-N 3.4Å; V30-W33 PolarHBondContact O-N 3.01Å; W33-V36 PolarHBondContact O-N 3.34Å; W33-S37 PolarHBondContact NE1-OG 3.33Å; W33-S37 VanDerWaalsContact O-CB 3.22Å; W33-S37 WeakPolarHBondContact O-CB 3.32Å; W33-S37 PolarHBondContact O-N 2.95Å; W33-S37 PolarHBondContact O-OG 3.43Å
34L78.4Confident75.5Confident40 Ų4055 Ų5521%0.20933%0.325CS..Hα-helixtrans-62.2-42.7176.9-73.3171.6000111.9V30 G31 I32 Q38 F41 A54V30-L34 HydrophobicContact CG1-CD1 3.91Å; V30-L34 HydrophobicContact CG1-CG 4.29Å; V30-L34 WeakPolarHBondContact O-CB 3.2Å; V30-L34 VanDerWaalsContact O-CG 3.28Å; V30-L34 WeakPolarHBondContact O-CG 3.32Å; V30-L34 PolarHBondContact O-N 3.45Å; G31-L34 PolarHBondContact O-N 3.32Å; I32-L34 VanDerWaalsContact C-N 3.34Å; I32-L34 PolarHBondContact O-N 2.94Å; L34-Q38 PolarHBondContact O-N 3.01Å; L34-F41 HydrophobicContact CD2-CE2 4.48Å; L34-A54 HydrophobicContact CB-CB 3.96Å
35S77.6Confident73Confident35 Ų3555.5 Ų55.525%0.24533%0.328CS..Hα-helixtrans-63.8-40178.4-1720000112.5G31 I32 G39G31-S35 WeakPolarHBondContact O-CB 3.15Å; G31-S35 PolarHBondContact O-N 3.41Å; I32-S35 PolarHBondContact O-N 3.29Å; S35-G39 CarbonylContact O-C 3.29Å; S35-G39 VanDerWaalsContact O-C 3.29Å; S35-G39 WeakPolarHBondContact O-CA 3.43Å
36V76.1Confident70.4Confident115 Ų11556.1 Ų56.170%0.69733%0.332SS*.Hα-helixtrans-82.9-48.9-177.6175.10000112.6I32 W33 Q38I32-V36 HydrophobicContact CG2-CG2 4.27Å; I32-V36 WeakPolarHBondContact O-CG2 3.5Å; I32-V36 PolarHBondContact O-N 2.93Å; W33-V36 PolarHBondContact O-N 3.34Å; V36-Q38 PolarHBondContact O-N 2.88Å
37S68Low67.7Low56 Ų5658.4 Ų58.439%0.39234%0.341SS..Hα-helixtrans-73.7-27.7-170.862.30000113.7W33W33-S37 PolarHBondContact NE1-OG 3.33Å; W33-S37 VanDerWaalsContact O-CB 3.22Å; W33-S37 WeakPolarHBondContact O-CB 3.32Å; W33-S37 PolarHBondContact O-N 2.95Å; W33-S37 PolarHBondContact O-OG 3.43Å
38Q57.3Low65.4Low59 Ų5960.7 Ų60.728%0.27635%0.349SS..SBendtrans-116.67.7-174.8-60.2-147.855.300112.1L34 V36 F41 G133L34-Q38 PolarHBondContact O-N 3.01Å; V36-Q38 PolarHBondContact O-N 2.88Å; Q38-F41 HydrophobicContact CB-CD2 3.53Å; Q38-F41 HydrophobicContact CB-CE2 3.84Å; Q38-F41 HydrophobicContact CG-CD2 4.2Å; Q38-F41 HydrophobicContact CG-CE2 4.07Å; Q38-G133 WeakPolarHBondContact O-CA 3.37Å; Q38-G133 PolarHBondContact O-N 3.25Å
39G55.7Low63.2Low37 Ų3763.8 Ų63.838%0.38137%0.37SS..SBendtrans62.7175-16500000110.7S35 F41S35-G39 CarbonylContact O-C 3.29Å; S35-G39 VanDerWaalsContact O-C 3.29Å; S35-G39 WeakPolarHBondContact O-CA 3.43Å; G39-F41 WeakPolarHBondContact O-CA 3.4Å; G39-F41 PolarHBondContact O-N 3.39Å
40S52.3Low61.1Low69 Ų6965.6 Ų65.648%0.48338%0.376SS..SBendtrans-47100.7178.5-68.50000111.1A42S40-A42 PolarHBondContact O-N 3.46Å; S40-A42 VanDerWaalsContact O-N 3.12Å
41F48.6Very low59.4Low40 Ų4065.3 Ų65.318%0.17537%0.371CS..  trans-69.5111.2-168.4-156.9-99.4000108.6L34 Q38 G39 S52 A53 A54 A137L34-F41 HydrophobicContact CD2-CE2 4.48Å; Q38-F41 HydrophobicContact CB-CD2 3.53Å; Q38-F41 HydrophobicContact CB-CE2 3.84Å; Q38-F41 HydrophobicContact CG-CD2 4.2Å; Q38-F41 HydrophobicContact CG-CE2 4.07Å; G39-F41 WeakPolarHBondContact O-CA 3.4Å; G39-F41 PolarHBondContact O-N 3.39Å; F41-S52 PolarHBondContact N-OG 2.74Å; F41-S52 VanDerWaalsContact O-CB 3.3Å; F41-S52 WeakPolarHBondContact O-CB 3.43Å; F41-S52 PolarHBondContact O-OG 3Å; F41-A53 HydrophobicContact CD1-CB 4.4Å; F41-A53 PolarHBondContact O-N 3.38Å; F41-A54 HydrophobicContact CB-CB 3.88Å; F41-A137 HydrophobicContact CE1-CB 4.39Å; F41-A137 HydrophobicContact CZ-CB 4.28Å
42A50.8Low58.4Low18 Ų1865.3 Ų65.315%0.14937%0.371CS..  trans42.581.918000000113.9S40 F44 S52 L134S40-A42 PolarHBondContact O-N 3.46Å; S40-A42 VanDerWaalsContact O-N 3.12Å; A42-F44 PolarHBondContact O-N 3.27Å; A42-S52 WeakPolarHBondContact O-CA 3.21Å; A42-L134 HydrophobicContact CB-CD1 4.05Å
43T51.1Low57.7Low22 Ų2262.2 Ų62.214%0.13536%0.36CS..EExtended strand (participates in β ladder)trans-56.7107.9162.5-62.80000107.8S45T43-S45 WeakPolarHBondContact CG2-O 3.48Å; T43-S45 PolarHBondContact O-N 2.95Å
44F44.7Very low57.3Low85 Ų8553.5 Ų53.537%0.37333%0.327SS..EExtended strand (participates in β ladder)trans-65.8-28.5-176.5-80.7-76.6000111.8A42 L51 A53 M56 D118A42-F44 PolarHBondContact O-N 3.27Å; F44-L51 WeakPolarHBondContact CB-O 3.4Å; F44-L51 WeakPolarHBondContact CD2-O 3.4Å; F44-L51 PolarHBondContact N-O 3.42Å; F44-A53 HydrophobicContact CE2-CB 3.61Å; F44-A53 HydrophobicContact CZ-CB 4.12Å; F44-M56 HydrophobicContact CD2-CE 4.38Å; F44-D118 CarbonylContact O-C 3.18Å; F44-D118 WeakPolarHBondContact O-CB 3.28Å
45S43.7Very low57.5Low10 Ų1053.9 Ų53.97%0.0733%0.329CS..EExtended strand (participates in β ladder)trans-138.3123.5175.7-1640000110.1T43 S47 F48 D118T43-S45 WeakPolarHBondContact CG2-O 3.48Å; T43-S45 PolarHBondContact O-N 2.95Å; S45-S47 PolarHBondContact O-N 3.48Å; S45-S47 VanDerWaalsContact O-N 3.08Å; S45-F48 CarbonylContact O-C 3.13Å; S45-F48 PolarHBondContact O-N 3.35Å; S45-D118 VanDerWaalsContact CB-OD1 3.22Å; S45-D118 WeakPolarHBondContact CB-OD1 3.33Å; S45-D118 PolarHBondContact OG-OD1 2.89Å
46P43.5Very low57.9Low60 Ų6056.6 Ų56.639%0.3934%0.339SS..THydrogen-bonded Turntrans-57.1-22.4172.5-3.26000112.5F48 D121 L125P46-F48 VanDerWaalsContact C-N 3.29Å; P46-D121 HydrophobicContact CG-CB 3.61Å; P46-L125 HydrophobicContact CB-CD1 4.24Å; P46-L125 HydrophobicContact CG-CD1 4.19Å
47S38.4Very low58.5Low88 Ų8853.4 Ų53.462%0.61532%0.32SS*.THydrogen-bonded Turntrans-69.9-22.9173.8-510000113.4S45S45-S47 PolarHBondContact O-N 3.48Å; S45-S47 VanDerWaalsContact O-N 3.08Å
48F47.6Very low59.7Low120 Ų12052.9 Ų52.953%0.52631%0.312SS..EExtended strand (participates in β ladder)trans-13780.3178.5-64.2-74.1000110.7S45 P46 S50 L51S45-F48 CarbonylContact O-C 3.13Å; S45-F48 PolarHBondContact O-N 3.35Å; P46-F48 VanDerWaalsContact C-N 3.29Å; F48-S50 PolarHBondContact O-N 2.73Å; F48-L51 HydrophobicContact CB-CB 4.21Å; F48-L51 HydrophobicContact CB-CD1 3.69Å; F48-L51 HydrophobicContact CB-CG 3.91Å; F48-L51 HydrophobicContact CD2-CD1 4.22Å; F48-L51 HydrophobicContact CG-CD1 4.04Å; F48-L51 PolarHBondContact O-N 2.97Å
49P48.3Very low61.3Low88 Ų8852.3 Ų52.357%0.57132%0.317SS*.EExtended strand (participates in β ladder)trans-59.9-11.8177.821.9-31.5000114.3
50S48.8Very low63.1Low78 Ų7854.3 Ų54.355%0.54532%0.322SS..EExtended strand (participates in β ladder)trans-79.4-17.9172.253.30000114.2F48 S52 N55F48-S50 PolarHBondContact O-N 2.73Å; S50-S52 PolarHBondContact O-N 3.36Å; S50-N55 VanDerWaalsContact O-CB 3.27Å; S50-N55 WeakPolarHBondContact O-CB 3.3Å; S50-N55 PolarHBondContact O-ND2 2.92Å
51L54.8Low65.2Low75 Ų7551 Ų5139%0.39330%0.299SS..EExtended strand (participates in β ladder)trans-92.863.8-179.7-67.2176.6000111.3F44 F48 M56F44-L51 WeakPolarHBondContact CB-O 3.4Å; F44-L51 WeakPolarHBondContact CD2-O 3.4Å; F44-L51 PolarHBondContact N-O 3.42Å; F48-L51 HydrophobicContact CB-CB 4.21Å; F48-L51 HydrophobicContact CB-CD1 3.69Å; F48-L51 HydrophobicContact CB-CG 3.91Å; F48-L51 HydrophobicContact CD2-CD1 4.22Å; F48-L51 HydrophobicContact CG-CD1 4.04Å; F48-L51 PolarHBondContact O-N 2.97Å; L51-M56 HydrophobicContact CB-CE 4.46Å; L51-M56 HydrophobicContact CD2-CE 4.17Å
52S67.4Low67.5Low0 Ų050.8 Ų50.80%031%0.305CS..EExtended strand (participates in β ladder)trans-92150.2168.51530000110.3F41 A42 S50 A54 N55 M56F41-S52 PolarHBondContact N-OG 2.74Å; F41-S52 VanDerWaalsContact O-CB 3.3Å; F41-S52 WeakPolarHBondContact O-CB 3.43Å; F41-S52 PolarHBondContact O-OG 3Å; A42-S52 WeakPolarHBondContact O-CA 3.21Å; S50-S52 PolarHBondContact O-N 3.36Å; S52-A54 PolarHBondContact O-N 2.96Å; S52-A54 PolarHBondContact OG-N 3.02Å; S52-A54 VanDerWaalsContact OG-N 3.12Å; S52-N55 PolarHBondContact O-N 2.85Å; S52-M56 PolarHBondContact O-N 2.85Å
53A72.4Confident69.6Low28 Ų2854.1 Ų54.123%0.23132%0.319CS..Hα-helixtrans-52.1-40.5171.600000111.9F41 F44 M56 V57F41-A53 HydrophobicContact CD1-CB 4.4Å; F41-A53 PolarHBondContact O-N 3.38Å; F44-A53 HydrophobicContact CE2-CB 3.61Å; F44-A53 HydrophobicContact CZ-CB 4.12Å; A53-M56 PolarHBondContact O-N 3.44Å; A53-V57 WeakPolarHBondContact O-CG2 3.44Å; A53-V57 PolarHBondContact O-N 2.86Å
54A78.6Confident71.7Confident0 Ų054.7 Ų54.70%032%0.322CS..Hα-helixtrans-63.5-42.9176.800000111.7L34 F41 S52 M56 V57 I58L34-A54 HydrophobicContact CB-CB 3.96Å; F41-A54 HydrophobicContact CB-CB 3.88Å; S52-A54 PolarHBondContact O-N 2.96Å; S52-A54 PolarHBondContact OG-N 3.02Å; S52-A54 VanDerWaalsContact OG-N 3.12Å; A54-M56 VanDerWaalsContact C-N 3.34Å; A54-M56 PolarHBondContact O-N 2.92Å; A54-V57 PolarHBondContact O-N 3.01Å; A54-I58 VanDerWaalsContact O-CG1 3.27Å; A54-I58 WeakPolarHBondContact O-CG1 3.36Å; A54-I58 PolarHBondContact O-N 2.98Å
55N82.4Confident74.2Confident49 Ų4953.3 Ų53.326%0.26232%0.317SS..Hα-helixtrans-66.5-35.1178.2-68.7-13.6000112.3S50 S52 I58 A59S50-N55 VanDerWaalsContact O-CB 3.27Å; S50-N55 WeakPolarHBondContact O-CB 3.3Å; S50-N55 PolarHBondContact O-ND2 2.92Å; S52-N55 PolarHBondContact O-N 2.85Å; N55-I58 PolarHBondContact O-N 2.92Å; N55-A59 WeakPolarHBondContact O-CB 3.37Å; N55-A59 PolarHBondContact O-N 3.46Å
56M85.8Confident76.7Confident92 Ų9256.3 Ų56.345%0.45334%0.335SS..Hα-helixtrans-64.1-44.8172.2-67.3-176.9-178.800111.3F44 L51 S52 A53 A54 I58 A59 V60F44-M56 HydrophobicContact CD2-CE 4.38Å; L51-M56 HydrophobicContact CB-CE 4.46Å; L51-M56 HydrophobicContact CD2-CE 4.17Å; S52-M56 PolarHBondContact O-N 2.85Å; A53-M56 PolarHBondContact O-N 3.44Å; A54-M56 VanDerWaalsContact C-N 3.34Å; A54-M56 PolarHBondContact O-N 2.92Å; M56-I58 VanDerWaalsContact C-N 3.33Å; M56-I58 PolarHBondContact O-N 3.5Å; M56-A59 PolarHBondContact O-N 3.19Å; M56-V60 WeakPolarHBondContact O-CB 3.38Å; M56-V60 WeakPolarHBondContact O-CG2 3.38Å; M56-V60 PolarHBondContact O-N 3.45Å
57V89.2Confident79.1Confident48 Ų4854.1 Ų54.129%0.29132%0.321SS..Hα-helixtrans-61.6-41.3175.6173.90000111.1L27 A53 A54 G61L27-V57 WeakPolarHBondContact O-CG1 3.31Å; A53-V57 WeakPolarHBondContact O-CG2 3.44Å; A53-V57 PolarHBondContact O-N 2.86Å; A54-V57 PolarHBondContact O-N 3.01Å; V57-G61 PolarHBondContact O-N 3.34Å
58I91.4Very high81.8Confident44 Ų4449.9 Ų49.923%0.22629%0.291CS..Hα-helixtrans-61.2-48.6174.1-67.6167.9000110.4L28 G31 I32 A54 N55 M56 G61 A62L28-I58 HydrophobicContact CD2-CB 4.47Å; L28-I58 HydrophobicContact CD2-CG2 3.87Å; L28-I58 WeakPolarHBondContact CD2-O 3.41Å; G31-I58 VanDerWaalsContact C-CG1 3.45Å; I32-I58 HydrophobicContact CG1-CD1 4.29Å; I32-I58 HydrophobicContact CG1-CG1 4.36Å; A54-I58 VanDerWaalsContact O-CG1 3.27Å; A54-I58 WeakPolarHBondContact O-CG1 3.36Å; A54-I58 PolarHBondContact O-N 2.98Å; N55-I58 PolarHBondContact O-N 2.92Å; M56-I58 VanDerWaalsContact C-N 3.33Å; M56-I58 PolarHBondContact O-N 3.5Å; I58-G61 PolarHBondContact O-N 3.26Å; I58-A62 WeakPolarHBondContact O-CB 3.35Å; I58-A62 PolarHBondContact O-N 2.88Å
59A92.2Very high84Confident48 Ų4849.1 Ų49.140%0.39729%0.288SS..Hα-helixtrans-61.7-47.9-178.900000111.9N55 M56 A62 I63N55-A59 WeakPolarHBondContact O-CB 3.37Å; N55-A59 PolarHBondContact O-N 3.46Å; M56-A59 PolarHBondContact O-N 3.19Å; A59-A62 PolarHBondContact O-N 2.96Å; A59-I63 VanDerWaalsContact O-CG1 3.31Å; A59-I63 WeakPolarHBondContact O-CG1 3.47Å; A59-I63 PolarHBondContact O-N 3.33Å
60V93.6Very high86.2Confident79 Ų7946.2 Ų46.248%0.47927%0.268SS..Hα-helixtrans-61.6-46.5176.4172.70000110.6M56 A62 I63 V64M56-V60 WeakPolarHBondContact O-CB 3.38Å; M56-V60 WeakPolarHBondContact O-CG2 3.38Å; M56-V60 PolarHBondContact O-N 3.45Å; V60-A62 VanDerWaalsContact C-N 3.32Å; V60-A62 PolarHBondContact O-N 3.04Å; V60-I63 PolarHBondContact O-N 3.45Å; V60-V64 HydrophobicContact CG1-CG2 4.31Å; V60-V64 WeakPolarHBondContact O-CB 3.41Å; V60-V64 VanDerWaalsContact O-CG2 3.3Å; V60-V64 WeakPolarHBondContact O-CG2 3.38Å; V60-V64 PolarHBondContact O-N 3.07Å
61G96.1Very high88.3Confident0 Ų042.5 Ų42.50%024%0.242CC..Hα-helixtrans-58.6-41.9176.700000112.7V57 I58 V64 M65V57-G61 PolarHBondContact O-N 3.34Å; I58-G61 PolarHBondContact O-N 3.26Å; G61-V64 PolarHBondContact O-N 3.36Å; G61-M65 VanDerWaalsContact O-CB 3.24Å; G61-M65 WeakPolarHBondContact O-CB 3.36Å; G61-M65 PolarHBondContact O-N 2.78Å
62A96.1Very high90.2Very high35 Ų3539.4 Ų39.429%0.28923%0.226SC..Hα-helixtrans-62.5-47.1176.100000111.9L28 I58 A59 V60 M65 V66L28-A62 HydrophobicContact CD2-CB 4.02Å; I58-A62 WeakPolarHBondContact O-CB 3.35Å; I58-A62 PolarHBondContact O-N 2.88Å; A59-A62 PolarHBondContact O-N 2.96Å; V60-A62 VanDerWaalsContact C-N 3.32Å; V60-A62 PolarHBondContact O-N 3.04Å; A62-M65 PolarHBondContact O-N 3.24Å; A62-V66 WeakPolarHBondContact O-CB 3.24Å; A62-V66 WeakPolarHBondContact O-CG2 3.48Å; A62-V66 PolarHBondContact O-N 3.06Å
63I95.3Very high91.4Very high87 Ų8742.1 Ų42.145%0.44624%0.24SC..Hα-helixtrans-61.4-47.3179.2-67.9165.2000110.2A59 V60 M65 V66 T67 I93A59-I63 VanDerWaalsContact O-CG1 3.31Å; A59-I63 WeakPolarHBondContact O-CG1 3.47Å; A59-I63 PolarHBondContact O-N 3.33Å; V60-I63 PolarHBondContact O-N 3.45Å; I63-M65 PolarHBondContact O-N 3.34Å; I63-V66 PolarHBondContact O-N 2.93Å; I63-T67 HydrophobicContact CG2-CG2 4.41Å; I63-T67 WeakPolarHBondContact O-CB 3.32Å; I63-T67 VanDerWaalsContact O-CG2 3.28Å; I63-T67 WeakPolarHBondContact O-CG2 3.2Å; I63-T67 PolarHBondContact O-N 3.46Å; I63-T67 PolarHBondContact O-OG1 3.02Å; I63-I93 HydrophobicContact CG2-CD1 3.58Å; I63-I93 HydrophobicContact CG2-CG1 4.31Å
64V96.2Very high92.2Very high34 Ų3440.8 Ų40.821%0.20623%0.229CC..Hα-helixtrans-63.5-41178.5173.80000111.3F20 V60 G61 T67 G68F20-V64 HydrophobicContact CB-CG1 4.35Å; F20-V64 HydrophobicContact CD1-CG1 4.42Å; F20-V64 VanDerWaalsContact O-CG1 3.28Å; F20-V64 WeakPolarHBondContact O-CG1 3.31Å; V60-V64 HydrophobicContact CG1-CG2 4.31Å; V60-V64 WeakPolarHBondContact O-CB 3.41Å; V60-V64 VanDerWaalsContact O-CG2 3.3Å; V60-V64 WeakPolarHBondContact O-CG2 3.38Å; V60-V64 PolarHBondContact O-N 3.07Å; G61-V64 PolarHBondContact O-N 3.36Å; V64-T67 WeakPolarHBondContact CA-OG1 3.43Å; V64-T67 PolarHBondContact O-OG1 3.07Å; V64-G68 PolarHBondContact O-N 3.26Å
65M96.4Very high92.8Very high56 Ų5640.8 Ų40.828%0.27623%0.229SC..Hα-helixtrans-64.2-50.1176.4-176.4-175.566.900111.5C25 L28 G61 A62 I63 T67 G68 F69C25-M65 VanDerWaalsContact SG-SD 3.69Å; L28-M65 HydrophobicContact CD1-CB 4.14Å; L28-M65 HydrophobicContact CD1-CE 3.48Å; L28-M65 VanDerWaalsContact CD1-CE 3.48Å; L28-M65 HydrophobicContact CD1-CG 4.45Å; L28-M65 HydrophobicContact CD1-SD 3.49Å; L28-M65 WeakPolarHBondContact CD1-SD 3.49Å; G61-M65 VanDerWaalsContact O-CB 3.24Å; G61-M65 WeakPolarHBondContact O-CB 3.36Å; G61-M65 PolarHBondContact O-N 2.78Å; A62-M65 PolarHBondContact O-N 3.24Å; I63-M65 PolarHBondContact O-N 3.34Å; M65-T67 PolarHBondContact O-N 2.9Å; M65-G68 PolarHBondContact O-N 2.89Å; M65-F69 WeakPolarHBondContact O-CB 3.13Å; M65-F69 PolarHBondContact O-N 3.37Å
66V95.6Very high93.1Very high73 Ų7342.3 Ų42.344%0.44224%0.236SC..Hα-helixtrans-63.9-44.6-178.4171.30000110.9A62 I63 F69 L70A62-V66 WeakPolarHBondContact O-CB 3.24Å; A62-V66 WeakPolarHBondContact O-CG2 3.48Å; A62-V66 PolarHBondContact O-N 3.06Å; I63-V66 PolarHBondContact O-N 2.93Å; V66-F69 PolarHBondContact O-N 3.15Å; V66-L70 HydrophobicContact CG1-CD1 4.08Å; V66-L70 HydrophobicContact CG1-CG 4.42Å; V66-L70 WeakPolarHBondContact O-CG 3.34Å; V66-L70 PolarHBondContact O-N 2.87Å
67T94.9Very high93.3Very high14 Ų1445.1 Ų45.19%0.08625%0.246CC..Hα-helixtrans-62.3-46.3177.449.90000111.8I63 V64 M65 F69 L70 G71 F86 V89 I93I63-T67 HydrophobicContact CG2-CG2 4.41Å; I63-T67 WeakPolarHBondContact O-CB 3.32Å; I63-T67 VanDerWaalsContact O-CG2 3.28Å; I63-T67 WeakPolarHBondContact O-CG2 3.2Å; I63-T67 PolarHBondContact O-N 3.46Å; I63-T67 PolarHBondContact O-OG1 3.02Å; V64-T67 WeakPolarHBondContact CA-OG1 3.43Å; V64-T67 PolarHBondContact O-OG1 3.07Å; M65-T67 PolarHBondContact O-N 2.9Å; T67-F69 VanDerWaalsContact C-N 3.33Å; T67-F69 PolarHBondContact O-N 2.83Å; T67-L70 PolarHBondContact O-N 3.34Å; T67-G71 PolarHBondContact O-N 3Å; T67-F86 VanDerWaalsContact O-CD2 3.31Å; T67-F86 WeakPolarHBondContact O-CD2 3.21Å; T67-F86 WeakPolarHBondContact O-CE2 3.28Å; T67-V89 HydrophobicContact CG2-CB 4.36Å; T67-V89 HydrophobicContact CG2-CG1 3.4Å; T67-V89 VanDerWaalsContact CG2-CG1 3.4Å; T67-I93 HydrophobicContact CG2-CD1 3.86Å
68G95.1Very high93.2Very high0 Ų047.2 Ų47.20%025%0.253CS..Hα-helixtrans-59.7-41.2175.100000112.7V64 M65 G71 C72V64-G68 PolarHBondContact O-N 3.26Å; M65-G68 PolarHBondContact O-N 2.89Å; G68-G71 PolarHBondContact O-N 2.99Å; G68-C72 WeakPolarHBondContact O-CB 3.4Å; G68-C72 PolarHBondContact O-N 3.46Å; G68-C72 PolarHBondContact O-SG 3.39Å
69F94.4Very high93.1Very high103 Ų10348.4 Ų48.445%0.45226%0.26SS..Hα-helixtrans-64-47.1176.8-179.5-104.4000112.6M65 V66 T67 G71 C72 L73M65-F69 WeakPolarHBondContact O-CB 3.13Å; M65-F69 PolarHBondContact O-N 3.37Å; V66-F69 PolarHBondContact O-N 3.15Å; T67-F69 VanDerWaalsContact C-N 3.33Å; T67-F69 PolarHBondContact O-N 2.83Å; F69-G71 VanDerWaalsContact C-N 3.35Å; F69-G71 PolarHBondContact O-N 3.05Å; F69-C72 PolarHBondContact O-N 3.2Å; F69-L73 HydrophobicContact CD1-CD1 4.15Å; F69-L73 HydrophobicContact CD2-CD1 4.35Å; F69-L73 HydrophobicContact CD2-CG 4.37Å; F69-L73 HydrophobicContact CE1-CD1 3.44Å; F69-L73 VanDerWaalsContact CE1-CD1 3.44Å; F69-L73 HydrophobicContact CE1-CG 4.32Å; F69-L73 HydrophobicContact CE2-CD1 3.68Å; F69-L73 HydrophobicContact CE2-CG 4.03Å; F69-L73 HydrophobicContact CZ-CD1 3.18Å; F69-L73 HydrophobicContact CZ-CG 4.04Å; F69-L73 PolarHBondContact O-N 3.3Å
70L94.2Very high93.1Very high28 Ų2849.3 Ų49.315%0.14726%0.255CS..Hα-helixtrans-61.2-43.4176.4-69.6174.9000111.5V66 T67 G74 L82 F86 V89V66-L70 HydrophobicContact CG1-CD1 4.08Å; V66-L70 HydrophobicContact CG1-CG 4.42Å; V66-L70 WeakPolarHBondContact O-CG 3.34Å; V66-L70 PolarHBondContact O-N 2.87Å; T67-L70 PolarHBondContact O-N 3.34Å; L70-G74 WeakPolarHBondContact O-CA 3.3Å; L70-G74 PolarHBondContact O-N 3.48Å; L70-L82 HydrophobicContact CD2-CD2 3.86Å; L70-F86 HydrophobicContact CB-CB 4.15Å; L70-F86 HydrophobicContact CB-CD2 4.4Å; L70-V89 HydrophobicContact CD1-CG2 4.44Å
71G93.3Very high93Very high0 Ų049.8 Ų49.80%026%0.26CS..Hα-helixtrans-62.7-44.8176.700000112.5T67 G68 F69 A75T67-G71 PolarHBondContact O-N 3Å; G68-G71 PolarHBondContact O-N 2.99Å; F69-G71 VanDerWaalsContact C-N 3.35Å; F69-G71 PolarHBondContact O-N 3.05Å; G71-A75 VanDerWaalsContact O-CB 3.3Å; G71-A75 WeakPolarHBondContact O-CB 3.38Å; G71-A75 PolarHBondContact O-N 2.84Å
72C92.9Very high92.9Very high10 Ų1051.7 Ų51.77%0.06827%0.271CS..Hα-helixtrans-61.7-53.8177.3-74.50000112.5F14 N17 L18 G68 F69 A75 I76F14-C72 HydrophobicContact CD2-CB 3.96Å; F14-C72 HydrophobicContact CE2-CB 3.93Å; N17-C72 VanDerWaalsContact CB-SG 3.54Å; L18-C72 VanDerWaalsContact CA-SG 3.51Å; L18-C72 PolarHBondContact N-SG 3.46Å; G68-C72 WeakPolarHBondContact O-CB 3.4Å; G68-C72 PolarHBondContact O-N 3.46Å; G68-C72 PolarHBondContact O-SG 3.39Å; F69-C72 PolarHBondContact O-N 3.2Å; C72-A75 PolarHBondContact O-N 3.12Å; C72-I76 PolarHBondContact O-N 3.48Å
73L92.6Very high92.7Very high56 Ų5650 Ų5029%0.29326%0.257SS..Hα-helixtrans-68.6-39-178.1-70.8-167.9000111.8F69 A75 K77 L82F69-L73 HydrophobicContact CD1-CD1 4.15Å; F69-L73 HydrophobicContact CD2-CD1 4.35Å; F69-L73 HydrophobicContact CD2-CG 4.37Å; F69-L73 HydrophobicContact CE1-CD1 3.44Å; F69-L73 VanDerWaalsContact CE1-CD1 3.44Å; F69-L73 HydrophobicContact CE1-CG 4.32Å; F69-L73 HydrophobicContact CE2-CD1 3.68Å; F69-L73 HydrophobicContact CE2-CG 4.03Å; F69-L73 HydrophobicContact CZ-CD1 3.18Å; F69-L73 HydrophobicContact CZ-CG 4.04Å; F69-L73 PolarHBondContact O-N 3.3Å; L73-A75 VanDerWaalsContact C-N 3.32Å; L73-A75 PolarHBondContact O-N 3.22Å; L73-K77 WeakPolarHBondContact O-CB 3.32Å; L73-K77 PolarHBondContact O-N 3.13Å; L73-L82 HydrophobicContact CB-CD1 3.85Å
74G90.6Very high92.6Very high0 Ų049.3 Ų49.30%025%0.253CS..Hα-helixtrans-57.9-45.1174.400000111.8L70 E78 N79L70-G74 WeakPolarHBondContact O-CA 3.3Å; L70-G74 PolarHBondContact O-N 3.48Å; G74-E78 WeakPolarHBondContact O-CA 3.44Å; G74-E78 PolarHBondContact O-N 2.9Å; G74-N79 PolarHBondContact O-N 3.48Å
75A90.1Very high92.6Very high0 Ų050.2 Ų50.20%026%0.261CS..Hα-helixtrans-68.3-48.5178.500000112.8K10 M13 F14 G71 C72 L73 L226K10-A75 WeakPolarHBondContact CE-O 3.24Å; M13-A75 HydrophobicContact CG-CB 4.22Å; M13-A75 HydrophobicContact SD-CB 4.19Å; F14-A75 HydrophobicContact CB-CB 4.46Å; G71-A75 VanDerWaalsContact O-CB 3.3Å; G71-A75 WeakPolarHBondContact O-CB 3.38Å; G71-A75 PolarHBondContact O-N 2.84Å; C72-A75 PolarHBondContact O-N 3.12Å; L73-A75 VanDerWaalsContact C-N 3.32Å; L73-A75 PolarHBondContact O-N 3.22Å; A75-L226 HydrophobicContact CB-CD2 4.37Å
76I89.6Confident92.5Very high81 Ų8147.8 Ų47.842%0.41525%0.249SC..Hα-helixtrans-70.9-49.5-176.9-74.2-174.7000112.3F14 C72 E78F14-I76 HydrophobicContact CD1-CD1 4.21Å; F14-I76 HydrophobicContact CD2-CD1 3.31Å; F14-I76 HydrophobicContact CD2-CG1 3.53Å; F14-I76 HydrophobicContact CE1-CD1 4.02Å; F14-I76 HydrophobicContact CE2-CD1 3.1Å; F14-I76 HydrophobicContact CE2-CG1 3.89Å; F14-I76 HydrophobicContact CG-CD1 3.88Å; F14-I76 HydrophobicContact CG-CG1 3.96Å; F14-I76 HydrophobicContact CZ-CD1 3.48Å; F14-I76 VanDerWaalsContact CZ-CD1 3.48Å; C72-I76 PolarHBondContact O-N 3.48Å; I76-E78 PolarHBondContact O-N 3.37Å
77K88.8Confident92.6Very high152 Ų15246.6 Ų46.666%0.66124%0.238SC*.Hα-helixtrans-78.4-6.4-175.2-63.7-69.8-173.6177.40112.7L73 N79L73-K77 WeakPolarHBondContact O-CB 3.32Å; L73-K77 PolarHBondContact O-N 3.13Å; K77-N79 HydrophobicContact CB-CB 4.28Å; K77-N79 PolarHBondContact O-N 3.48Å; K77-N79 VanDerWaalsContact O-N 3.12Å
78E87.9Confident92.7Very high92 Ų9249.6 Ų49.643%0.4325%0.253SS..THydrogen-bonded Turntrans5135.9-175.4-62.9-176.6-178.100111.7K10 G74 I76 K80 I230K10-E78 IonicContact NZ-OE1 3.31Å; K10-E78 PolarHBondContact NZ-OE1 3.03Å; G74-E78 WeakPolarHBondContact O-CA 3.44Å; G74-E78 PolarHBondContact O-N 2.9Å; I76-E78 PolarHBondContact O-N 3.37Å; E78-K80 PolarHBondContact O-N 3.34Å; E78-I230 HydrophobicContact CB-CD1 3.7Å; E78-I230 HydrophobicContact CB-CG1 4.18Å; E78-I230 HydrophobicContact CG-CD1 4.16Å
79N90.4Very high92.7Very high68 Ų6851.7 Ų51.736%0.36427%0.266SS..  trans-88.4113-176.8-174.9-29.4000109.9G74 K77 C81 L82 L83G74-N79 PolarHBondContact O-N 3.48Å; K77-N79 HydrophobicContact CB-CB 4.28Å; K77-N79 PolarHBondContact O-N 3.48Å; K77-N79 VanDerWaalsContact O-N 3.12Å; N79-C81 VanDerWaalsContact C-N 3.29Å; N79-C81 PolarHBondContact O-N 3.39Å; N79-C81 WeakPolarHBondContact OD1-CB 3.42Å; N79-C81 PolarHBondContact OD1-N 3.27Å; N79-L82 HydrophobicContact CB-CB 4.16Å; N79-L82 HydrophobicContact CB-CD1 3.94Å; N79-L82 HydrophobicContact CB-CG 4.1Å; N79-L82 PolarHBondContact O-N 2.87Å; N79-L82 PolarHBondContact OD1-N 2.85Å; N79-L83 PolarHBondContact O-N 3.41Å
80K90.4Very high92.8Very high67 Ų6747.6 Ų47.629%0.29125%0.249SC..Hα-helixtrans-54.4-42.2-180-63.7177.6-170.1170.70112.6E78 L84 F227 I230E78-K80 PolarHBondContact O-N 3.34Å; K80-L84 WeakPolarHBondContact O-CB 3.4Å; K80-L84 PolarHBondContact O-N 3.39Å; K80-F227 HydrophobicContact CB-CD2 4.02Å; K80-F227 HydrophobicContact CB-CE2 3.75Å; K80-F227 HydrophobicContact CG-CD2 4.46Å; K80-F227 HydrophobicContact CG-CE2 4.37Å; K80-F227 WeakPolarHBondContact O-CD2 3.41Å; K80-I230 HydrophobicContact CD-CG2 4.37Å; K80-I230 WeakPolarHBondContact CE-O 3.42Å; K80-I230 HydrophobicContact CG-CB 4.41Å; K80-I230 HydrophobicContact CG-CG2 3.82Å
81C92.1Very high93Very high89 Ų8949.5 Ų49.560%0.60126%0.258SS*.Hα-helixtrans-66.8-43.3-178.9-62.70000111.1N79 L84 S85N79-C81 VanDerWaalsContact C-N 3.29Å; N79-C81 PolarHBondContact O-N 3.39Å; N79-C81 WeakPolarHBondContact OD1-CB 3.42Å; N79-C81 PolarHBondContact OD1-N 3.27Å; C81-L84 PolarHBondContact O-N 2.87Å; C81-S85 WeakPolarHBondContact O-CB 3.31Å; C81-S85 PolarHBondContact O-N 3.48Å; C81-S85 PolarHBondContact O-OG 3.44Å; C81-S85 VanDerWaalsContact O-OG 3.07Å
82L93.3Very high93.2Very high41 Ų4154.4 Ų54.422%0.21528%0.284CS..Hα-helixtrans-65.6-40.7178.1-68.8177.4000112.4L70 L73 N79 S85 F86L70-L82 HydrophobicContact CD2-CD2 3.86Å; L73-L82 HydrophobicContact CB-CD1 3.85Å; N79-L82 HydrophobicContact CB-CB 4.16Å; N79-L82 HydrophobicContact CB-CD1 3.94Å; N79-L82 HydrophobicContact CB-CG 4.1Å; N79-L82 PolarHBondContact O-N 2.87Å; N79-L82 PolarHBondContact OD1-N 2.85Å; L82-S85 PolarHBondContact O-N 3.31Å; L82-F86 WeakPolarHBondContact O-CB 3.34Å; L82-F86 PolarHBondContact O-N 3.01Å
83L92.8Very high93.3Very high0 Ų055.8 Ų55.80%029%0.29CS..Hα-helixtrans-63.7-41.8174.7-73.4169.3000112M13 N79 F86 F87 S223 L226 I230M13-L83 HydrophobicContact CE-CD2 3.67Å; M13-L83 HydrophobicContact SD-CD2 4.41Å; N79-L83 PolarHBondContact O-N 3.41Å; L83-F86 PolarHBondContact O-N 3.5Å; L83-F87 PolarHBondContact O-N 2.84Å; L83-S223 PolarHBondContact O-OG 3.48Å; L83-L226 HydrophobicContact CD1-CB 4.28Å; L83-L226 HydrophobicContact CD1-CD2 3.94Å; L83-L226 HydrophobicContact CD1-CG 3.99Å; L83-L226 HydrophobicContact CD2-CD2 4.01Å; L83-I230 HydrophobicContact CD1-CD1 3.51Å
84L93.8Very high93.5Very high71 Ų7154.1 Ų54.137%0.37228%0.281SS..Hα-helixtrans-66-43.8176.4-174.863.8000111.4K80 C81 F86 F87 I88 F227K80-L84 WeakPolarHBondContact O-CB 3.4Å; K80-L84 PolarHBondContact O-N 3.39Å; C81-L84 PolarHBondContact O-N 2.87Å; L84-F86 PolarHBondContact O-N 3.42Å; L84-F87 PolarHBondContact O-N 3.2Å; L84-I88 HydrophobicContact CD1-CD1 4.37Å; L84-I88 HydrophobicContact CG-CD1 3.96Å; L84-I88 VanDerWaalsContact O-CG1 3.31Å; L84-I88 WeakPolarHBondContact O-CG1 3.45Å; L84-I88 PolarHBondContact O-N 3.42Å; L84-F227 HydrophobicContact CB-CD2 4.45Å; L84-F227 HydrophobicContact CB-CE2 4.23Å
85S95.3Very high93.8Very high54 Ų5458.6 Ų58.638%0.37831%0.305SS..Hα-helixtrans-59.4-44.9173.8-64.30000111.7C81 L82 F87 I88 V89C81-S85 WeakPolarHBondContact O-CB 3.31Å; C81-S85 PolarHBondContact O-N 3.48Å; C81-S85 PolarHBondContact O-OG 3.44Å; C81-S85 VanDerWaalsContact O-OG 3.07Å; L82-S85 PolarHBondContact O-N 3.31Å; S85-F87 VanDerWaalsContact C-N 3.34Å; S85-F87 PolarHBondContact O-N 2.93Å; S85-I88 PolarHBondContact O-N 3.34Å; S85-V89 VanDerWaalsContact O-CG2 3.31Å; S85-V89 WeakPolarHBondContact O-CG2 3.45Å; S85-V89 PolarHBondContact O-N 2.99Å
86F95.6Very high94.1Very high5 Ų560.7 Ų60.72%0.02232%0.322CS..Hα-helixtrans-57.6-46.2174.7174.1-107.6000111.8M13 N17 T67 L70 L82 L83 L84 V89 L90M13-F86 HydrophobicContact CE-CD1 3.85Å; M13-F86 HydrophobicContact CE-CE1 3.7Å; M13-F86 HydrophobicContact CE-CZ 4.49Å; N17-F86 VanDerWaalsContact OD1-CE2 3.32Å; N17-F86 WeakPolarHBondContact OD1-CE2 3.38Å; N17-F86 WeakPolarHBondContact OD1-CZ 3.36Å; T67-F86 VanDerWaalsContact O-CD2 3.31Å; T67-F86 WeakPolarHBondContact O-CD2 3.21Å; T67-F86 WeakPolarHBondContact O-CE2 3.28Å; L70-F86 HydrophobicContact CB-CB 4.15Å; L70-F86 HydrophobicContact CB-CD2 4.4Å; L82-F86 WeakPolarHBondContact O-CB 3.34Å; L82-F86 PolarHBondContact O-N 3.01Å; L83-F86 PolarHBondContact O-N 3.5Å; L84-F86 PolarHBondContact O-N 3.42Å; F86-V89 PolarHBondContact O-N 3.46Å; F86-L90 HydrophobicContact CD1-CD1 4.22Å; F86-L90 HydrophobicContact CD2-CG 4.45Å; F86-L90 HydrophobicContact CE1-CD1 3.55Å; F86-L90 HydrophobicContact CE1-CG 4.36Å; F86-L90 HydrophobicContact CE2-CD1 3.97Å; F86-L90 HydrophobicContact CE2-CD2 4.34Å; F86-L90 HydrophobicContact CE2-CG 4.09Å; F86-L90 HydrophobicContact CZ-CD1 3.41Å; F86-L90 VanDerWaalsContact CZ-CD1 3.41Å; F86-L90 HydrophobicContact CZ-CG 4.06Å; F86-L90 WeakPolarHBondContact O-CG 3.21Å; F86-L90 PolarHBondContact O-N 2.93Å
87F96.2Very high94.4Very high47 Ų4760.2 Ų60.221%0.20632%0.318CS..Hα-helixtrans-60.7-47.1176.1174.6-92000112.4L83 L84 S85 V89 L90 L91 M220 M224L83-F87 PolarHBondContact O-N 2.84Å; L84-F87 PolarHBondContact O-N 3.2Å; S85-F87 VanDerWaalsContact C-N 3.34Å; S85-F87 PolarHBondContact O-N 2.93Å; F87-V89 VanDerWaalsContact C-N 3.35Å; F87-V89 PolarHBondContact O-N 3.29Å; F87-L90 PolarHBondContact O-N 3.42Å; F87-L91 HydrophobicContact CE1-CD2 4.22Å; F87-L91 WeakPolarHBondContact O-CB 3.4Å; F87-L91 PolarHBondContact O-N 2.97Å; F87-M220 HydrophobicContact CD2-CB 3.83Å; F87-M220 HydrophobicContact CD2-CG 4Å; F87-M220 HydrophobicContact CE2-CB 3.84Å; F87-M220 HydrophobicContact CE2-CG 4.15Å; F87-M220 HydrophobicContact CE2-SD 4.21Å; F87-M224 HydrophobicContact CD1-SD 4.42Å; F87-M224 HydrophobicContact CD2-CG 3.5Å; F87-M224 HydrophobicContact CD2-SD 4.12Å; F87-M224 HydrophobicContact CE2-CG 3.52Å; F87-M224 HydrophobicContact CE2-SD 4.28Å; F87-M224 HydrophobicContact CG-CG 4.17Å; F87-M224 HydrophobicContact CG-SD 4.2Å; F87-M224 HydrophobicContact CZ-CG 4.21Å
88I96.9Very high94.6Very high77 Ų7757 Ų5740%0.39531%0.307SS..Hα-helixtrans-61.9-43.8-179.8-68.7166.8000110.6L84 S85 L91 I92L84-I88 HydrophobicContact CD1-CD1 4.37Å; L84-I88 HydrophobicContact CG-CD1 3.96Å; L84-I88 VanDerWaalsContact O-CG1 3.31Å; L84-I88 WeakPolarHBondContact O-CG1 3.45Å; L84-I88 PolarHBondContact O-N 3.42Å; S85-I88 PolarHBondContact O-N 3.34Å; I88-L91 PolarHBondContact O-N 3.27Å; I88-I92 HydrophobicContact CG2-CD1 3.88Å; I88-I92 HydrophobicContact CG2-CG1 4.48Å; I88-I92 WeakPolarHBondContact O-CG1 3.27Å; I88-I92 PolarHBondContact O-N 3.39Å
89V96.4Very high95Very high45 Ų4557.5 Ų57.527%0.27331%0.312SS..Hα-helixtrans-64.6-44.5178.3177.10000110.9T67 L70 S85 F86 F87 L91 I92 I93T67-V89 HydrophobicContact CG2-CB 4.36Å; T67-V89 HydrophobicContact CG2-CG1 3.4Å; T67-V89 VanDerWaalsContact CG2-CG1 3.4Å; L70-V89 HydrophobicContact CD1-CG2 4.44Å; S85-V89 VanDerWaalsContact O-CG2 3.31Å; S85-V89 WeakPolarHBondContact O-CG2 3.45Å; S85-V89 PolarHBondContact O-N 2.99Å; F86-V89 PolarHBondContact O-N 3.46Å; F87-V89 VanDerWaalsContact C-N 3.35Å; F87-V89 PolarHBondContact O-N 3.29Å; V89-L91 VanDerWaalsContact C-N 3.29Å; V89-L91 PolarHBondContact O-N 2.94Å; V89-I92 PolarHBondContact O-N 3.28Å; V89-I93 HydrophobicContact CG1-CD1 3.89Å; V89-I93 HydrophobicContact CG1-CG1 4.45Å; V89-I93 VanDerWaalsContact O-CG1 3.31Å; V89-I93 WeakPolarHBondContact O-CG1 3.37Å; V89-I93 PolarHBondContact O-N 2.89Å
90L96.3Very high95.1Very high17 Ų1759.7 Ų59.79%0.08932%0.323CS..Hα-helixtrans-61-38.5174.9-72.6-171.4000112.4F86 F87 I93 L94 Q216 M220F86-L90 HydrophobicContact CD1-CD1 4.22Å; F86-L90 HydrophobicContact CD2-CG 4.45Å; F86-L90 HydrophobicContact CE1-CD1 3.55Å; F86-L90 HydrophobicContact CE1-CG 4.36Å; F86-L90 HydrophobicContact CE2-CD1 3.97Å; F86-L90 HydrophobicContact CE2-CD2 4.34Å; F86-L90 HydrophobicContact CE2-CG 4.09Å; F86-L90 HydrophobicContact CZ-CD1 3.41Å; F86-L90 VanDerWaalsContact CZ-CD1 3.41Å; F86-L90 HydrophobicContact CZ-CG 4.06Å; F86-L90 WeakPolarHBondContact O-CG 3.21Å; F86-L90 PolarHBondContact O-N 2.93Å; F87-L90 PolarHBondContact O-N 3.42Å; L90-I93 PolarHBondContact O-N 3.32Å; L90-L94 WeakPolarHBondContact O-CB 3.41Å; L90-L94 PolarHBondContact O-N 3Å; L90-Q216 HydrophobicContact CB-CG 4.34Å; L90-Q216 HydrophobicContact CD2-CG 4.3Å; L90-Q216 PolarHBondContact O-NE2 2.93Å; L90-M220 HydrophobicContact CB-CG 3.66Å; L90-M220 HydrophobicContact CB-SD 4.2Å; L90-M220 HydrophobicContact CD1-CG 3.89Å; L90-M220 HydrophobicContact CG-CG 4.47Å
91L97.1Very high95.2Very high68 Ų6860.9 Ų60.936%0.35633%0.332SS..Hα-helixtrans-64.8-43.4176.6-179.463.7000111.6F87 I88 V89 I93 L94 L95 M220F87-L91 HydrophobicContact CE1-CD2 4.22Å; F87-L91 WeakPolarHBondContact O-CB 3.4Å; F87-L91 PolarHBondContact O-N 2.97Å; I88-L91 PolarHBondContact O-N 3.27Å; V89-L91 VanDerWaalsContact C-N 3.29Å; V89-L91 PolarHBondContact O-N 2.94Å; L91-I93 VanDerWaalsContact C-N 3.35Å; L91-L94 PolarHBondContact O-N 3.46Å; L91-L95 HydrophobicContact CG-CD1 4.4Å; L91-L95 WeakPolarHBondContact O-CG 3.27Å; L91-L95 PolarHBondContact O-N 2.9Å; L91-M220 HydrophobicContact CB-SD 4.23Å; L91-M220 HydrophobicContact CD1-SD 4.44Å
92I97.4Very high95.2Very high103 Ų10360.5 Ų60.553%0.52833%0.327SS..Hα-helixtrans-61.6-45176.2-69.4166.9000110.5I88 V89 L94 L95 A96I88-I92 HydrophobicContact CG2-CD1 3.88Å; I88-I92 HydrophobicContact CG2-CG1 4.48Å; I88-I92 WeakPolarHBondContact O-CG1 3.27Å; I88-I92 PolarHBondContact O-N 3.39Å; V89-I92 PolarHBondContact O-N 3.28Å; I92-L94 VanDerWaalsContact C-N 3.32Å; I92-L94 PolarHBondContact O-N 3.44Å; I92-L95 PolarHBondContact O-N 3.45Å; I92-A96 WeakPolarHBondContact O-CB 3.34Å; I92-A96 PolarHBondContact O-N 2.97Å
93I96.4Very high95.1Very high39 Ų3962.6 Ų62.620%0.234%0.338CS..Hα-helixtrans-60.9-44.4177.2-65.7166.2000110.1I63 T67 V89 L90 L91 L95 A96 E97 Q216I63-I93 HydrophobicContact CG2-CD1 3.58Å; I63-I93 HydrophobicContact CG2-CG1 4.31Å; T67-I93 HydrophobicContact CG2-CD1 3.86Å; V89-I93 HydrophobicContact CG1-CD1 3.89Å; V89-I93 HydrophobicContact CG1-CG1 4.45Å; V89-I93 VanDerWaalsContact O-CG1 3.31Å; V89-I93 WeakPolarHBondContact O-CG1 3.37Å; V89-I93 PolarHBondContact O-N 2.89Å; L90-I93 PolarHBondContact O-N 3.32Å; L91-I93 VanDerWaalsContact C-N 3.35Å; I93-L95 PolarHBondContact O-N 3.25Å; I93-A96 PolarHBondContact O-N 3.48Å; I93-E97 HydrophobicContact CG2-CG 4.28Å; I93-E97 WeakPolarHBondContact O-CG 3.32Å; I93-E97 PolarHBondContact O-N 3.41Å; I93-Q216 VanDerWaalsContact CB-NE2 3.34Å; I93-Q216 VanDerWaalsContact CG2-NE2 3.26Å
94L96.8Very high94.9Very high21 Ų2167.9 Ų67.911%0.1136%0.361CS..Hα-helixtrans-60.3-45.7179.3-179.669.8000111.5L90 L91 I92 A96 E97 L98 L213 L217 M220L90-L94 WeakPolarHBondContact O-CB 3.41Å; L90-L94 PolarHBondContact O-N 3Å; L91-L94 PolarHBondContact O-N 3.46Å; I92-L94 VanDerWaalsContact C-N 3.32Å; I92-L94 PolarHBondContact O-N 3.44Å; L94-A96 VanDerWaalsContact C-N 3.34Å; L94-E97 PolarHBondContact O-N 2.94Å; L94-L98 HydrophobicContact CG-CD1 4.39Å; L94-L98 VanDerWaalsContact O-CG 3.31Å; L94-L98 WeakPolarHBondContact O-CG 3.31Å; L94-L98 PolarHBondContact O-N 3.3Å; L94-L213 HydrophobicContact CD1-CD1 3.33Å; L94-L217 HydrophobicContact CD2-CD2 4.19Å; L94-M220 HydrophobicContact CD2-CE 3.64Å
95L97.4Very high94.7Very high94 Ų9471.1 Ų71.149%0.49237%0.372SS..Hα-helixtrans-63.8-41.4177.4-67.2174.7000111.4L91 I92 I93 L98 I99L91-L95 HydrophobicContact CG-CD1 4.4Å; L91-L95 WeakPolarHBondContact O-CG 3.27Å; L91-L95 PolarHBondContact O-N 2.9Å; I92-L95 PolarHBondContact O-N 3.45Å; I93-L95 PolarHBondContact O-N 3.25Å; L95-L98 PolarHBondContact O-N 3.43Å; L95-I99 WeakPolarHBondContact O-CD1 3.45Å; L95-I99 VanDerWaalsContact O-CG1 3.22Å; L95-I99 WeakPolarHBondContact O-CG1 3.47Å; L95-I99 PolarHBondContact O-N 2.98Å
96A95.9Very high94.6Very high43 Ų4373.1 Ų73.136%0.35538%0.382SS..Hα-helixtrans-62.8-44176.100000111.9I92 I93 L94 L98 I99 L100I92-A96 WeakPolarHBondContact O-CB 3.34Å; I92-A96 PolarHBondContact O-N 2.97Å; I93-A96 PolarHBondContact O-N 3.48Å; L94-A96 VanDerWaalsContact C-N 3.34Å; A96-L98 PolarHBondContact O-N 2.85Å; A96-I99 PolarHBondContact O-N 3.07Å; A96-L100 WeakPolarHBondContact O-CB 3.37Å; A96-L100 VanDerWaalsContact O-CG 3.27Å; A96-L100 WeakPolarHBondContact O-CG 3.31Å; A96-L100 PolarHBondContact O-N 2.94Å
97E94.5Very high94.5Very high71 Ų7179.2 Ų79.233%0.33241%0.406SS..Hα-helixtrans-60.5-44.8176.2-75.5179.5177.700111.9I93 L94 I99 L100 L101 Q216I93-E97 HydrophobicContact CG2-CG 4.28Å; I93-E97 WeakPolarHBondContact O-CG 3.32Å; I93-E97 PolarHBondContact O-N 3.41Å; L94-E97 PolarHBondContact O-N 2.94Å; E97-I99 PolarHBondContact O-N 3.47Å; E97-L100 PolarHBondContact O-N 2.91Å; E97-L101 WeakPolarHBondContact O-CB 3.44Å; E97-L101 PolarHBondContact O-N 3.28Å; E97-Q216 PolarHBondContact OE2-OE1 2.9Å
98L94.9Very high94.1Very high85 Ų8579.5 Ų79.545%0.44541%0.414SS..Hα-helixtrans-63.9-40.1177.2-68.7175.8000112.3L94 L95 A96 T102L94-L98 HydrophobicContact CG-CD1 4.39Å; L94-L98 VanDerWaalsContact O-CG 3.31Å; L94-L98 WeakPolarHBondContact O-CG 3.31Å; L94-L98 PolarHBondContact O-N 3.3Å; L95-L98 PolarHBondContact O-N 3.43Å; A96-L98 PolarHBondContact O-N 2.85Å; L98-T102 WeakPolarHBondContact O-CB 3.31Å; L98-T102 PolarHBondContact O-N 3.33Å; L98-T102 PolarHBondContact O-OG1 2.87Å
99I95.3Very high93.8Very high102 Ų10282.2 Ų82.252%0.52343%0.429SS..Hα-helixtrans-64.6-50.1175.8-69164.2000110.1L95 A96 E97 L101 T102 L103L95-I99 WeakPolarHBondContact O-CD1 3.45Å; L95-I99 VanDerWaalsContact O-CG1 3.22Å; L95-I99 WeakPolarHBondContact O-CG1 3.47Å; L95-I99 PolarHBondContact O-N 2.98Å; A96-I99 PolarHBondContact O-N 3.07Å; E97-I99 PolarHBondContact O-N 3.47Å; I99-L101 VanDerWaalsContact C-N 3.34Å; I99-L101 PolarHBondContact O-N 2.86Å; I99-T102 PolarHBondContact O-N 3.44Å; I99-L103 HydrophobicContact CG2-CD1 3.85Å; I99-L103 HydrophobicContact CG2-CG 4.27Å; I99-L103 WeakPolarHBondContact O-CB 3.22Å; I99-L103 VanDerWaalsContact O-CG 3.31Å; I99-L103 WeakPolarHBondContact O-CG 3.38Å; I99-L103 PolarHBondContact O-N 2.84Å
100L92.1Very high93.4Very high115 Ų11585.9 Ų85.960%0.60244%0.442SS*.Hα-helixtrans-60.7-43.3179.7-72.2173.4000111.6A96 E97 L103 F104A96-L100 WeakPolarHBondContact O-CB 3.37Å; A96-L100 VanDerWaalsContact O-CG 3.27Å; A96-L100 WeakPolarHBondContact O-CG 3.31Å; A96-L100 PolarHBondContact O-N 2.94Å; E97-L100 PolarHBondContact O-N 2.91Å; L100-L103 PolarHBondContact O-N 2.86Å; L100-F104 VanDerWaalsContact O-CB 3.28Å; L100-F104 WeakPolarHBondContact O-CB 3.42Å; L100-F104 PolarHBondContact O-N 3.36Å
101L92.1Very high93Very high91 Ų9187.9 Ų87.948%0.47646%0.455SS..Hα-helixtrans-61.2-46.7176.9-170.767.8000111E97 I99 F104 F105E97-L101 WeakPolarHBondContact O-CB 3.44Å; E97-L101 PolarHBondContact O-N 3.28Å; I99-L101 VanDerWaalsContact C-N 3.34Å; I99-L101 PolarHBondContact O-N 2.86Å; L101-F104 PolarHBondContact O-N 3.32Å; L101-F105 HydrophobicContact CD1-CD2 4.01Å; L101-F105 HydrophobicContact CD1-CE2 3.53Å; L101-F105 HydrophobicContact CG-CD2 3.95Å; L101-F105 HydrophobicContact CG-CE2 3.83Å; L101-F105 WeakPolarHBondContact O-CD2 3.3Å; L101-F105 PolarHBondContact O-N 3.44Å
102T92.9Very high92.6Very high82 Ų8285.6 Ų85.650%0.50344%0.444SS..Hα-helixtrans-64-45.4178.7-55.20000111.3L98 I99 F104 F105 V106L98-T102 WeakPolarHBondContact O-CB 3.31Å; L98-T102 PolarHBondContact O-N 3.33Å; L98-T102 PolarHBondContact O-OG1 2.87Å; I99-T102 PolarHBondContact O-N 3.44Å; T102-F104 VanDerWaalsContact C-N 3.34Å; T102-F104 PolarHBondContact O-N 3.03Å; T102-F105 PolarHBondContact O-N 3.31Å; T102-V106 HydrophobicContact CG2-CG2 4.11Å; T102-V106 WeakPolarHBondContact O-CB 3.31Å; T102-V106 VanDerWaalsContact O-CG2 3.27Å; T102-V106 WeakPolarHBondContact O-CG2 3.44Å; T102-V106 PolarHBondContact O-N 3.24Å
103L91.1Very high92.2Very high84 Ų8485.7 Ų85.744%0.4444%0.443SS..Hα-helixtrans-60.9-44177-73.4176000111.5I99 L100 F105 Y107I99-L103 HydrophobicContact CG2-CD1 3.85Å; I99-L103 HydrophobicContact CG2-CG 4.27Å; I99-L103 WeakPolarHBondContact O-CB 3.22Å; I99-L103 VanDerWaalsContact O-CG 3.31Å; I99-L103 WeakPolarHBondContact O-CG 3.38Å; I99-L103 PolarHBondContact O-N 2.84Å; L100-L103 PolarHBondContact O-N 2.86Å; L103-F105 PolarHBondContact O-N 2.89Å; L103-Y107 HydrophobicContact CD2-CD2 3.85Å; L103-Y107 HydrophobicContact CD2-CE2 3.76Å; L103-Y107 WeakPolarHBondContact O-CB 3.38Å; L103-Y107 PolarHBondContact O-N 3.39Å
104F88.5Confident91.7Very high112 Ų11287.4 Ų87.449%0.49145%0.452SS..Hα-helixtrans-60.6-44.4177.9-180-96.1000111.9L100 L101 T102 S108 V111L100-F104 VanDerWaalsContact O-CB 3.28Å; L100-F104 WeakPolarHBondContact O-CB 3.42Å; L100-F104 PolarHBondContact O-N 3.36Å; L101-F104 PolarHBondContact O-N 3.32Å; T102-F104 VanDerWaalsContact C-N 3.34Å; T102-F104 PolarHBondContact O-N 3.03Å; F104-S108 WeakPolarHBondContact O-CA 3.5Å; F104-S108 WeakPolarHBondContact O-CB 3.37Å; F104-S108 PolarHBondContact O-N 3.33Å; F104-S108 VanDerWaalsContact O-N 3.13Å; F104-V111 HydrophobicContact CD2-CG1 4.31Å; F104-V111 HydrophobicContact CE2-CG1 4.37Å
105F89.3Confident91.2Very high138 Ų13888 Ų8861%0.60546%0.46SS*.Hα-helixtrans-70.7-45.8178.7-83-66000113.1L101 T102 L103 S108L101-F105 HydrophobicContact CD1-CD2 4.01Å; L101-F105 HydrophobicContact CD1-CE2 3.53Å; L101-F105 HydrophobicContact CG-CD2 3.95Å; L101-F105 HydrophobicContact CG-CE2 3.83Å; L101-F105 WeakPolarHBondContact O-CD2 3.3Å; L101-F105 PolarHBondContact O-N 3.44Å; T102-F105 PolarHBondContact O-N 3.31Å; L103-F105 PolarHBondContact O-N 2.89Å; F105-S108 PolarHBondContact O-OG 2.98Å
106V94.4Very high90.9Very high97 Ų9785.3 Ų85.359%0.58844%0.444SS*.Hα-helixtrans-69.7-39.6-176.5172.50000111.7T102T102-V106 HydrophobicContact CG2-CG2 4.11Å; T102-V106 WeakPolarHBondContact O-CB 3.31Å; T102-V106 VanDerWaalsContact O-CG2 3.27Å; T102-V106 WeakPolarHBondContact O-CG2 3.44Å; T102-V106 PolarHBondContact O-N 3.24Å
107Y92Very high90.5Very high132 Ų13288.2 Ų88.252%0.51845%0.451SS..THydrogen-bonded Turntrans-107.826.9-176.3-62-78000112.7L103 D109 K110 V111L103-Y107 HydrophobicContact CD2-CD2 3.85Å; L103-Y107 HydrophobicContact CD2-CE2 3.76Å; L103-Y107 WeakPolarHBondContact O-CB 3.38Å; L103-Y107 PolarHBondContact O-N 3.39Å; Y107-D109 VanDerWaalsContact C-N 3.32Å; Y107-D109 PolarHBondContact O-N 3.21Å; Y107-K110 PolarHBondContact O-N 2.92Å; Y107-V111 WeakPolarHBondContact O-CG2 3.25Å; Y107-V111 PolarHBondContact O-N 3.42Å
108S88.2Confident89.9Confident54 Ų5487.2 Ų87.238%0.37845%0.447SS..Hα-helixtrans-50.9-47.2-17649.30000113.2F104 F105 K110 V111 S112F104-S108 WeakPolarHBondContact O-CA 3.5Å; F104-S108 WeakPolarHBondContact O-CB 3.37Å; F104-S108 PolarHBondContact O-N 3.33Å; F104-S108 VanDerWaalsContact O-N 3.13Å; F105-S108 PolarHBondContact O-OG 2.98Å; S108-K110 PolarHBondContact O-N 2.87Å; S108-V111 PolarHBondContact O-N 3.32Å; S108-S112 WeakPolarHBondContact O-CB 3.42Å; S108-S112 PolarHBondContact O-N 3.44Å
109D90.3Very high89.5Confident133 Ų13385.4 Ų85.471%0.71144%0.438SS*.Hα-helixtrans-60.5-44.5176.6-64.8-38.5000112.1Y107 S112 E113Y107-D109 VanDerWaalsContact C-N 3.32Å; Y107-D109 PolarHBondContact O-N 3.21Å; D109-S112 PolarHBondContact O-N 3Å; D109-E113 WeakPolarHBondContact O-CG 3.36Å; D109-E113 PolarHBondContact O-N 2.96Å
110K89.8Confident89.1Confident122 Ų12283.7 Ų83.753%0.5343%0.426SS..Hα-helixtrans-69.6-37-178.8-173.757.9178.1165.10111.7Y107 S108 N114Y107-K110 PolarHBondContact O-N 2.92Å; S108-K110 PolarHBondContact O-N 2.87Å; K110-N114 VanDerWaalsContact CE-OD1 3.31Å; K110-N114 WeakPolarHBondContact CE-OD1 3.33Å; K110-N114 PolarHBondContact NZ-OD1 2.93Å; K110-N114 WeakPolarHBondContact O-CB 3.49Å; K110-N114 PolarHBondContact O-N 3.49Å; K110-N114 PolarHBondContact O-ND2 2.74Å; K110-N114 PolarHBondContact O-OD1 3.42Å
111V86.1Confident88.7Confident60 Ų6080.6 Ų80.636%0.36441%0.411SS..Hα-helixtrans-63.9-44173.5171.40000110.3F104 Y107 S108 N114 A115F104-V111 HydrophobicContact CD2-CG1 4.31Å; F104-V111 HydrophobicContact CE2-CG1 4.37Å; Y107-V111 WeakPolarHBondContact O-CG2 3.25Å; Y107-V111 PolarHBondContact O-N 3.42Å; S108-V111 PolarHBondContact O-N 3.32Å; V111-N114 PolarHBondContact O-N 3.44Å; V111-A115 VanDerWaalsContact O-CB 3.24Å; V111-A115 WeakPolarHBondContact O-CB 3.29Å; V111-A115 PolarHBondContact O-N 2.93Å
112S88.5Confident88.2Confident20 Ų2076.4 Ų76.414%0.1439%0.389CS..Hα-helixtrans-59.7-48.6176.7-1780000111.4S108 D109 A115 K116 F191 E195S108-S112 WeakPolarHBondContact O-CB 3.42Å; S108-S112 PolarHBondContact O-N 3.44Å; D109-S112 PolarHBondContact O-N 3Å; S112-A115 PolarHBondContact O-N 3.15Å; S112-K116 WeakPolarHBondContact O-CG 3.48Å; S112-K116 PolarHBondContact O-N 2.91Å; S112-K116 WeakPolarHBondContact OG-CE 3.3Å; S112-F191 VanDerWaalsContact OG-CE1 3.23Å; S112-F191 WeakPolarHBondContact OG-CE1 3.37Å; S112-F191 VanDerWaalsContact OG-CZ 3.29Å; S112-F191 WeakPolarHBondContact OG-CZ 3.2Å; S112-E195 PolarHBondContact OG-OE1 3.11Å
113E90.3Very high87.8Confident105 Ų10572.6 Ų72.649%0.49137%0.366SS..Hα-helixtrans-65.2-42.8178.6-71.7-58.2118.600113D109 A115 K116 Q117D109-E113 WeakPolarHBondContact O-CG 3.36Å; D109-E113 PolarHBondContact O-N 2.96Å; E113-A115 VanDerWaalsContact C-N 3.33Å; E113-A115 PolarHBondContact O-N 3.42Å; E113-K116 PolarHBondContact O-N 2.96Å; E113-K116 IonicContact OE1-NZ 2.75Å; E113-K116 PolarHBondContact OE1-NZ 2.99Å; E113-Q117 PolarHBondContact O-N 3.36Å
114N86.3Confident87.5Confident74 Ų7471.7 Ų71.740%0.39637%0.371SS..Hα-helixtrans-62.7-42.4175.8-69.6-8.7000111K110 V111 Q117 D118K110-N114 VanDerWaalsContact CE-OD1 3.31Å; K110-N114 WeakPolarHBondContact CE-OD1 3.33Å; K110-N114 PolarHBondContact NZ-OD1 2.93Å; K110-N114 WeakPolarHBondContact O-CB 3.49Å; K110-N114 PolarHBondContact O-N 3.49Å; K110-N114 PolarHBondContact O-ND2 2.74Å; K110-N114 PolarHBondContact O-OD1 3.42Å; V111-N114 PolarHBondContact O-N 3.44Å; N114-Q117 PolarHBondContact O-N 3.31Å; N114-D118 WeakPolarHBondContact O-CB 3.38Å; N114-D118 PolarHBondContact O-N 3.26Å
115A86.4Confident87.2Confident33 Ų3369 Ų6927%0.27336%0.361SS..Hα-helixtrans-63.4-40.9177.400000112.1V111 S112 E113 L119 F191V111-A115 VanDerWaalsContact O-CB 3.24Å; V111-A115 WeakPolarHBondContact O-CB 3.29Å; V111-A115 PolarHBondContact O-N 2.93Å; S112-A115 PolarHBondContact O-N 3.15Å; E113-A115 VanDerWaalsContact C-N 3.33Å; E113-A115 PolarHBondContact O-N 3.42Å; A115-L119 WeakPolarHBondContact O-CB 3.45Å; A115-L119 VanDerWaalsContact O-CG 3.24Å; A115-L119 WeakPolarHBondContact O-CG 3.36Å; A115-L119 PolarHBondContact O-N 3.35Å; A115-F191 HydrophobicContact CB-CE2 3.85Å; A115-F191 HydrophobicContact CB-CZ 4.44Å
116K89.8Confident86.9Confident39 Ų3963 Ų6317%0.1734%0.335CS..Hα-helixtrans-60.7-44.9173.2-71.2171.9-162.6166.80111.3S112 E113 L119 K120 V150 I151 F191S112-K116 WeakPolarHBondContact O-CG 3.48Å; S112-K116 PolarHBondContact O-N 2.91Å; S112-K116 WeakPolarHBondContact OG-CE 3.3Å; E113-K116 PolarHBondContact O-N 2.96Å; E113-K116 IonicContact OE1-NZ 2.75Å; E113-K116 PolarHBondContact OE1-NZ 2.99Å; K116-L119 PolarHBondContact O-N 3.35Å; K116-K120 WeakPolarHBondContact O-CG 3.23Å; K116-K120 PolarHBondContact O-N 2.96Å; K116-V150 HydrophobicContact CB-CG1 4.26Å; K116-V150 HydrophobicContact CG-CG1 4.35Å; K116-I151 HydrophobicContact CD-CD1 4.2Å; K116-I151 HydrophobicContact CD-CG1 4.35Å; K116-F191 HydrophobicContact CD-CD1 4.17Å; K116-F191 HydrophobicContact CD-CE1 4.13Å; K116-F191 VanDerWaalsContact CE-CD1 3.44Å; K116-F191 HydrophobicContact CG-CD1 3.78Å; K116-F191 HydrophobicContact CG-CD2 4Å; K116-F191 HydrophobicContact CG-CE1 3.82Å; K116-F191 HydrophobicContact CG-CE2 4.05Å; K116-F191 HydrophobicContact CG-CG 3.85Å; K116-F191 HydrophobicContact CG-CZ 3.96Å
117Q87.2Confident86.3Confident104 Ų10463.5 Ų63.549%0.48633%0.334SS..Hα-helixtrans-63.8-47.5179.4-17560.239.200111.7E113 N114 L119 K120 D121E113-Q117 PolarHBondContact O-N 3.36Å; N114-Q117 PolarHBondContact O-N 3.31Å; Q117-L119 VanDerWaalsContact C-N 3.31Å; Q117-L119 PolarHBondContact O-N 2.84Å; Q117-K120 WeakPolarHBondContact O-CB 3.39Å; Q117-K120 PolarHBondContact O-N 2.75Å; Q117-D121 PolarHBondContact NE2-OD1 3.23Å; Q117-D121 PolarHBondContact O-N 2.81Å
118D82Confident85.7Confident49 Ų4959.9 Ų59.926%0.26233%0.328SS..Hα-helixtrans-56.7-43.8176.5-90.9-16.7000111.5F44 S45 N114 D121 G122F44-D118 CarbonylContact O-C 3.18Å; F44-D118 WeakPolarHBondContact O-CB 3.28Å; S45-D118 VanDerWaalsContact CB-OD1 3.22Å; S45-D118 WeakPolarHBondContact CB-OD1 3.33Å; S45-D118 PolarHBondContact OG-OD1 2.89Å; N114-D118 WeakPolarHBondContact O-CB 3.38Å; N114-D118 PolarHBondContact O-N 3.26Å; D118-D121 PolarHBondContact O-N 3.18Å; D118-G122 PolarHBondContact O-N 2.87Å
119L86.9Confident84.7Confident47 Ų4765.8 Ų65.825%0.24635%0.349CS..Hα-helixtrans-63.9-41.6173.9-71.3170.4000112.2A115 K116 Q117 G122 L123 W138 V150 F191A115-L119 WeakPolarHBondContact O-CB 3.45Å; A115-L119 VanDerWaalsContact O-CG 3.24Å; A115-L119 WeakPolarHBondContact O-CG 3.36Å; A115-L119 PolarHBondContact O-N 3.35Å; K116-L119 PolarHBondContact O-N 3.35Å; Q117-L119 VanDerWaalsContact C-N 3.31Å; Q117-L119 PolarHBondContact O-N 2.84Å; L119-G122 CarbonylContact O-C 3.36Å; L119-G122 WeakPolarHBondContact O-CA 3.5Å; L119-G122 PolarHBondContact O-N 3.44Å; L119-G122 VanDerWaalsContact O-N 3.11Å; L119-L123 WeakPolarHBondContact O-CD1 3.24Å; L119-L123 PolarHBondContact O-N 3Å; L119-W138 HydrophobicContact CB-CH2 4.43Å; L119-W138 HydrophobicContact CB-CZ2 4.33Å; L119-W138 HydrophobicContact CD2-CH2 4.26Å; L119-W138 HydrophobicContact CD2-CZ2 4.07Å; L119-V150 HydrophobicContact CB-CB 4.49Å; L119-V150 HydrophobicContact CB-CG1 3.89Å; L119-V150 HydrophobicContact CB-CG2 3.72Å; L119-V150 HydrophobicContact CD1-CG1 4.07Å; L119-F191 HydrophobicContact CD1-CD2 3.75Å; L119-F191 HydrophobicContact CD1-CE2 4.49Å
120K88.1Confident83.7Confident66 Ų6666.7 Ų66.729%0.28735%0.354SS..Hα-helixtrans-63-41.8177.2-76.8-174.8175.2-1460112K116 Q117 G122 L123 A124 V150 D155K116-K120 WeakPolarHBondContact O-CG 3.23Å; K116-K120 PolarHBondContact O-N 2.96Å; Q117-K120 WeakPolarHBondContact O-CB 3.39Å; Q117-K120 PolarHBondContact O-N 2.75Å; K120-G122 PolarHBondContact O-N 3.31Å; K120-L123 WeakPolarHBondContact O-CB 3.43Å; K120-L123 PolarHBondContact O-N 2.97Å; K120-A124 PolarHBondContact O-N 3.48Å; K120-V150 HydrophobicContact CG-CB 4.09Å; K120-V150 HydrophobicContact CG-CG1 4.44Å; K120-V150 HydrophobicContact CG-CG2 3.78Å; K120-D155 VanDerWaalsContact CE-OD1 3.24Å; K120-D155 WeakPolarHBondContact CE-OD1 3.43Å; K120-D155 IonicContact NZ-OD1 2.78Å; K120-D155 PolarHBondContact NZ-OD1 3.49Å
121D83.4Confident82.8Confident50 Ų5062.9 Ų62.927%0.26734%0.34SS..Hα-helixtrans-62.8-34.9174-65.8-12.7000110.7P46 Q117 D118 A124P46-D121 HydrophobicContact CG-CB 3.61Å; Q117-D121 PolarHBondContact NE2-OD1 3.23Å; Q117-D121 PolarHBondContact O-N 2.81Å; D118-D121 PolarHBondContact O-N 3.18Å; D121-A124 WeakPolarHBondContact O-CB 3.5Å; D121-A124 PolarHBondContact O-N 3.36Å
122G80.3Confident82.2Confident3 Ų365.5 Ų65.53%0.03135%0.351CS..Hα-helixtrans-60.8-38.5169.400000114D118 L119 K120 A124 L125 L134D118-G122 PolarHBondContact O-N 2.87Å; L119-G122 CarbonylContact O-C 3.36Å; L119-G122 WeakPolarHBondContact O-CA 3.5Å; L119-G122 PolarHBondContact O-N 3.44Å; L119-G122 VanDerWaalsContact O-N 3.11Å; K120-G122 PolarHBondContact O-N 3.31Å; G122-A124 VanDerWaalsContact C-N 3.33Å; G122-A124 PolarHBondContact O-N 3.31Å; G122-L125 PolarHBondContact O-N 3.49Å; G122-L134 WeakPolarHBondContact O-CD2 3.28Å
123L85.6Confident81.4Confident2 Ų264.8 Ų64.81%0.0135%0.347CS..Hα-helixtrans-63.4-39.9174.8-85.377.1000111.5L119 K120 L125 Y126 W138 V150 D155 W156 A159L119-L123 WeakPolarHBondContact O-CD1 3.24Å; L119-L123 PolarHBondContact O-N 3Å; K120-L123 WeakPolarHBondContact O-CB 3.43Å; K120-L123 PolarHBondContact O-N 2.97Å; L123-L125 PolarHBondContact O-N 3.32Å; L123-L125 VanDerWaalsContact O-N 3.13Å; L123-Y126 WeakPolarHBondContact O-CB 3.44Å; L123-Y126 PolarHBondContact O-N 3.49Å; L123-W138 HydrophobicContact CD1-CD2 4.33Å; L123-W138 HydrophobicContact CD1-CH2 3.44Å; L123-W138 VanDerWaalsContact CD1-CH2 3.44Å; L123-W138 HydrophobicContact CD1-CZ2 3.15Å; L123-W138 HydrophobicContact CD1-CZ3 4.11Å; L123-W138 HydrophobicContact CG-CZ2 4.24Å; L123-V150 HydrophobicContact CD1-CG2 3.33Å; L123-V150 HydrophobicContact CD2-CG2 4.47Å; L123-D155 HydrophobicContact CD2-CB 4Å; L123-W156 HydrophobicContact CB-CZ3 4.3Å; L123-W156 HydrophobicContact CD2-CD2 3.77Å; L123-W156 HydrophobicContact CD2-CE3 3.98Å; L123-W156 HydrophobicContact CD2-CG 4.28Å; L123-W156 HydrophobicContact CD2-CH2 4.15Å; L123-W156 HydrophobicContact CD2-CZ2 3.95Å; L123-W156 HydrophobicContact CD2-CZ3 4.17Å; L123-W156 HydrophobicContact CG-CD2 4.48Å; L123-W156 HydrophobicContact CG-CE3 4.32Å; L123-W156 HydrophobicContact CG-CH2 3.83Å; L123-W156 HydrophobicContact CG-CZ2 3.99Å; L123-W156 HydrophobicContact CG-CZ3 4.02Å; L123-A159 HydrophobicContact CB-CB 3.73Å; L123-A159 HydrophobicContact CD2-CB 4.48Å
124A84.4Confident80.7Confident66 Ų6660.3 Ų60.355%0.54533%0.326SS..Hα-helixtrans-60.8-24.3-179.900000112.6K120 D121 G122K120-A124 PolarHBondContact O-N 3.48Å; D121-A124 WeakPolarHBondContact O-CB 3.5Å; D121-A124 PolarHBondContact O-N 3.36Å; G122-A124 VanDerWaalsContact C-N 3.33Å; G122-A124 PolarHBondContact O-N 3.31Å
125L82.9Confident80.4Confident54 Ų5462.6 Ų62.628%0.28333%0.329SS..THydrogen-bonded Turntrans-90.1-2.2178.4-65.7175.8000114P46 G122 L123 N127 S128 L134P46-L125 HydrophobicContact CB-CD1 4.24Å; P46-L125 HydrophobicContact CG-CD1 4.19Å; G122-L125 PolarHBondContact O-N 3.49Å; L123-L125 PolarHBondContact O-N 3.32Å; L123-L125 VanDerWaalsContact O-N 3.13Å; L125-N127 PolarHBondContact O-N 2.94Å; L125-S128 VanDerWaalsContact O-CB 3.3Å; L125-S128 WeakPolarHBondContact O-CB 3.37Å; L125-S128 PolarHBondContact O-N 2.95Å; L125-S128 VanDerWaalsContact O-N 3.11Å; L125-L134 HydrophobicContact CB-CD2 3.63Å
126Y82.2Confident80.1Confident13 Ų1364.1 Ų64.15%0.05133%0.333CS..THydrogen-bonded Turntrans-58.6-39.2-172.2177.7-92.7000114.5L123 R135 W138 N139 W156 L160 P166L123-Y126 WeakPolarHBondContact O-CB 3.44Å; L123-Y126 PolarHBondContact O-N 3.49Å; Y126-R135 HydrophobicContact CD2-CB 4.15Å; Y126-R135 HydrophobicContact CD2-CG 4.18Å; Y126-R135 HydrophobicContact CE1-CG 4.29Å; Y126-R135 HydrophobicContact CE2-CB 4.06Å; Y126-R135 HydrophobicContact CE2-CG 3.63Å; Y126-W138 HydrophobicContact CD2-CB 3.95Å; Y126-W138 HydrophobicContact CD2-CG 4.3Å; Y126-W138 HydrophobicContact CE2-CB 3.91Å; Y126-N139 PolarHBondContact OH-ND2 3.31Å; Y126-N139 PolarHBondContact OH-OD1 2.88Å; Y126-N139 VanDerWaalsContact OH-OD1 3.1Å; Y126-W156 HydrophobicContact CD1-CH2 4.39Å; Y126-W156 AromaticContact CD1-CZ3 3.89Å; Y126-W156 HydrophobicContact CD1-CZ3 3.89Å; Y126-W156 AromaticContact CD2-CH2 3.52Å; Y126-W156 HydrophobicContact CD2-CH2 3.52Å; Y126-W156 AromaticContact CD2-CZ3 3.84Å; Y126-W156 HydrophobicContact CD2-CZ3 3.84Å; Y126-W156 HydrophobicContact CE1-CZ3 4.44Å; Y126-W156 AromaticContact CE2-CH2 3.94Å; Y126-W156 HydrophobicContact CE2-CH2 3.94Å; Y126-W156 HydrophobicContact CE2-CZ3 4.39Å; Y126-W156 AromaticContact CG-CH2 3.79Å; Y126-W156 HydrophobicContact CG-CH2 3.79Å; Y126-W156 AromaticContact CG-CZ3 3.57Å; Y126-W156 HydrophobicContact CG-CZ3 3.57Å; Y126-L160 HydrophobicContact CD1-CD2 4.28Å; Y126-P166 HydrophobicContact CE1-CG 4.22Å
127N81.6Confident79.7Confident108 Ų10862.6 Ų62.658%0.57833%0.327SS*.THydrogen-bonded Turntrans-91.94.2179.8-89.6-6.2000113.8L125 E129 L160L125-N127 PolarHBondContact O-N 2.94Å; N127-E129 PolarHBondContact O-N 3.23Å; N127-L160 WeakPolarHBondContact ND2-CD2 3.39Å
128S79.1Confident79.7Confident56 Ų5658.3 Ų58.339%0.39231%0.306SS..  trans-71.5130.6178.4-169.80000110.7L125 N130 N131L125-S128 VanDerWaalsContact O-CB 3.3Å; L125-S128 WeakPolarHBondContact O-CB 3.37Å; L125-S128 PolarHBondContact O-N 2.95Å; L125-S128 VanDerWaalsContact O-N 3.11Å; S128-N130 PolarHBondContact O-N 3.44Å; S128-N130 VanDerWaalsContact O-N 3.11Å; S128-N131 WeakPolarHBondContact CB-ND2 3.37Å; S128-N131 PolarHBondContact O-N 3.05Å
129E68Low79.9Confident177 Ų17757.1 Ų57.183%0.82730%0.3SS*.THydrogen-bonded Turntrans-57.9-28.6-174.7-67.2-173.916000113.4N127N127-E129 PolarHBondContact O-N 3.23Å
130N68.8Low79.8Confident152 Ų15259.5 Ų59.581%0.81331%0.312SS*.THydrogen-bonded Turntrans-85.7-2.4-179.5-70.4-21.4000114.2S128S128-N130 PolarHBondContact O-N 3.44Å; S128-N130 VanDerWaalsContact O-N 3.11Å
131N70.4Confident79.9Confident43 Ų4359.7 Ų59.723%0.2332%0.316CS..  trans-115.439.7-170.3-69.3-33.8000113.5S128 G133 L134 R135S128-N131 WeakPolarHBondContact CB-ND2 3.37Å; S128-N131 PolarHBondContact O-N 3.05Å; N131-G133 PolarHBondContact O-N 3.11Å; N131-L134 HydrophobicContact CB-CB 4.19Å; N131-L134 HydrophobicContact CB-CD2 4.41Å; N131-L134 PolarHBondContact O-N 3.33Å; N131-R135 PolarHBondContact O-N 3.37Å
132I73.9Confident80.3Confident115 Ų11557.3 Ų57.359%0.5930%0.303SS*.Hα-helixtrans-55.8-38.8179.7-57.4171.9000111.5R135 N136I132-R135 PolarHBondContact O-N 3.43Å; I132-N136 WeakPolarHBondContact O-CB 3.33Å; I132-N136 VanDerWaalsContact O-CG 3.28Å; I132-N136 PolarHBondContact O-N 3.36Å
133G71.7Confident80.7Confident5 Ų559.1 Ų59.15%0.05232%0.317CS..Hα-helixtrans-61-48.817600000114.4Q38 N131 R135 N136 A137Q38-G133 WeakPolarHBondContact O-CA 3.37Å; Q38-G133 PolarHBondContact O-N 3.25Å; N131-G133 PolarHBondContact O-N 3.11Å; G133-R135 VanDerWaalsContact C-N 3.31Å; G133-R135 PolarHBondContact O-N 2.87Å; G133-N136 PolarHBondContact O-N 2.87Å; G133-A137 WeakPolarHBondContact O-CB 3.49Å; G133-A137 PolarHBondContact O-N 3.34Å
134L75.6Confident80.9Confident10 Ų1066 Ų665%0.05235%0.35CS..Hα-helixtrans-61.8-42.3177.7178.465.7000110.8A42 G122 L125 N131 A137 W138A42-L134 HydrophobicContact CB-CD1 4.05Å; G122-L134 WeakPolarHBondContact O-CD2 3.28Å; L125-L134 HydrophobicContact CB-CD2 3.63Å; N131-L134 HydrophobicContact CB-CB 4.19Å; N131-L134 HydrophobicContact CB-CD2 4.41Å; N131-L134 PolarHBondContact O-N 3.33Å; L134-A137 PolarHBondContact O-N 3.48Å; L134-W138 PolarHBondContact O-N 3.39Å
135R80.6Confident81.2Confident122 Ų12267.5 Ų67.546%0.4634%0.341SS..Hα-helixtrans-60.3-45.1174.2171.8165.1173.7-168.4-2.2112.1Y126 N131 I132 G133 N139Y126-R135 HydrophobicContact CD2-CB 4.15Å; Y126-R135 HydrophobicContact CD2-CG 4.18Å; Y126-R135 HydrophobicContact CE1-CG 4.29Å; Y126-R135 HydrophobicContact CE2-CB 4.06Å; Y126-R135 HydrophobicContact CE2-CG 3.63Å; N131-R135 PolarHBondContact O-N 3.37Å; I132-R135 PolarHBondContact O-N 3.43Å; G133-R135 VanDerWaalsContact C-N 3.31Å; G133-R135 PolarHBondContact O-N 2.87Å; R135-N139 WeakPolarHBondContact O-CB 3.31Å; R135-N139 PolarHBondContact O-N 3.26Å; R135-N139 PolarHBondContact O-ND2 3.01Å
136N80.6Confident81.7Confident66 Ų6670.8 Ų70.835%0.35335%0.353SS..Hα-helixtrans-64.7-42.8177.4-74-15.8000111.8I132 G133 N139 I140I132-N136 WeakPolarHBondContact O-CB 3.33Å; I132-N136 VanDerWaalsContact O-CG 3.28Å; I132-N136 PolarHBondContact O-N 3.36Å; G133-N136 PolarHBondContact O-N 2.87Å; N136-N139 PolarHBondContact O-N 2.88Å; N136-I140 VanDerWaalsContact O-CG1 3.28Å; N136-I140 WeakPolarHBondContact O-CG1 3.32Å; N136-I140 PolarHBondContact O-N 2.8Å
137A80.9Confident82.3Confident7 Ų770.1 Ų70.16%0.05835%0.351CS..Hα-helixtrans-58.9-48.5176.300000111.8F41 G133 L134 N139 I140 I141F41-A137 HydrophobicContact CE1-CB 4.39Å; F41-A137 HydrophobicContact CZ-CB 4.28Å; G133-A137 WeakPolarHBondContact O-CB 3.49Å; G133-A137 PolarHBondContact O-N 3.34Å; L134-A137 PolarHBondContact O-N 3.48Å; A137-N139 VanDerWaalsContact C-N 3.3Å; A137-N139 PolarHBondContact O-N 3.49Å; A137-I140 PolarHBondContact O-N 3.5Å; A137-I141 WeakPolarHBondContact O-CB 3.48Å; A137-I141 VanDerWaalsContact O-CG1 3.3Å; A137-I141 WeakPolarHBondContact O-CG1 3.24Å; A137-I141 PolarHBondContact O-N 3Å
138W85.9Confident82.8Confident13 Ų1365 Ų655%0.04932%0.323CS..Hα-helixtrans-59.2-40.3175.1-87.8113000112.8L119 L123 Y126 L134 Q142 V150 W156L119-W138 HydrophobicContact CB-CH2 4.43Å; L119-W138 HydrophobicContact CB-CZ2 4.33Å; L119-W138 HydrophobicContact CD2-CH2 4.26Å; L119-W138 HydrophobicContact CD2-CZ2 4.07Å; L123-W138 HydrophobicContact CD1-CD2 4.33Å; L123-W138 HydrophobicContact CD1-CH2 3.44Å; L123-W138 VanDerWaalsContact CD1-CH2 3.44Å; L123-W138 HydrophobicContact CD1-CZ2 3.15Å; L123-W138 HydrophobicContact CD1-CZ3 4.11Å; L123-W138 HydrophobicContact CG-CZ2 4.24Å; Y126-W138 HydrophobicContact CD2-CB 3.95Å; Y126-W138 HydrophobicContact CD2-CG 4.3Å; Y126-W138 HydrophobicContact CE2-CB 3.91Å; L134-W138 PolarHBondContact O-N 3.39Å; W138-Q142 HydrophobicContact CE3-CG 4.25Å; W138-Q142 WeakPolarHBondContact O-CB 3.31Å; W138-Q142 WeakPolarHBondContact O-CG 3.33Å; W138-Q142 PolarHBondContact O-N 3.34Å; W138-Q142 VanDerWaalsContact O-N 3.11Å; W138-Q142 PolarHBondContact O-NE2 2.94Å; W138-V150 HydrophobicContact CH2-CG2 4Å; W138-W156 HydrophobicContact CB-CH2 4.41Å; W138-W156 HydrophobicContact CD2-CH2 4.43Å; W138-W156 HydrophobicContact CD2-CZ2 4.36Å; W138-W156 HydrophobicContact CE3-CZ2 4.2Å; W138-W156 HydrophobicContact CG-CH2 4.27Å
139N87.4Confident83.5Confident25 Ų2562.3 Ų62.313%0.13430%0.304CS..Hα-helixtrans-66.6-40.1177.9-81.1-41.6000112.8Y126 R135 N136 A137 A143 R168Y126-N139 PolarHBondContact OH-ND2 3.31Å; Y126-N139 PolarHBondContact OH-OD1 2.88Å; Y126-N139 VanDerWaalsContact OH-OD1 3.1Å; R135-N139 WeakPolarHBondContact O-CB 3.31Å; R135-N139 PolarHBondContact O-N 3.26Å; R135-N139 PolarHBondContact O-ND2 3.01Å; N136-N139 PolarHBondContact O-N 2.88Å; A137-N139 VanDerWaalsContact C-N 3.3Å; A137-N139 PolarHBondContact O-N 3.49Å; N139-A143 VanDerWaalsContact O-CB 3.26Å; N139-A143 WeakPolarHBondContact O-CB 3.39Å; N139-A143 PolarHBondContact O-N 2.94Å; N139-R168 HydrophobicContact CB-CB 4.42Å; N139-R168 HydrophobicContact CB-CG 3.79Å; N139-R168 VanDerWaalsContact OD1-CG 3.29Å; N139-R168 WeakPolarHBondContact OD1-CG 3.35Å
140I85.4Confident84.7Confident97 Ų9754 Ų5450%0.49727%0.265SS..Hα-helixtrans-68.4-50.4177.6-69164.1000110.4N136 A137 Q142 A143 E144N136-I140 VanDerWaalsContact O-CG1 3.28Å; N136-I140 WeakPolarHBondContact O-CG1 3.32Å; N136-I140 PolarHBondContact O-N 2.8Å; A137-I140 PolarHBondContact O-N 3.5Å; I140-Q142 PolarHBondContact O-N 3.47Å; I140-A143 PolarHBondContact O-N 3.31Å; I140-E144 VanDerWaalsContact O-CB 3.31Å; I140-E144 WeakPolarHBondContact O-CB 3.42Å; I140-E144 PolarHBondContact O-N 3.44Å
141I89.2Confident85.9Confident70 Ų7050.9 Ų50.936%0.35925%0.248SC..Hα-helixtrans-58.6-49.6-177.7-69.4166.6000110.2A137 A143 E144 W145 C190A137-I141 WeakPolarHBondContact O-CB 3.48Å; A137-I141 VanDerWaalsContact O-CG1 3.3Å; A137-I141 WeakPolarHBondContact O-CG1 3.24Å; A137-I141 PolarHBondContact O-N 3Å; I141-A143 VanDerWaalsContact C-N 3.34Å; I141-A143 PolarHBondContact O-N 2.87Å; I141-E144 PolarHBondContact O-N 2.95Å; I141-W145 VanDerWaalsContact O-CB 3.25Å; I141-W145 WeakPolarHBondContact O-CB 3.01Å; I141-W145 PolarHBondContact O-N 3.39Å; I141-C190 HydrophobicContact CG2-CB 4.4Å
142Q91Very high86.9Confident0 Ų050 Ų500%025%0.247CC..Hα-helixtrans-64.5-38.4-177.7-70176.8122.200112.6W138 I140 K146 C147 G149 W156 C169W138-Q142 HydrophobicContact CE3-CG 4.25Å; W138-Q142 WeakPolarHBondContact O-CB 3.31Å; W138-Q142 WeakPolarHBondContact O-CG 3.33Å; W138-Q142 PolarHBondContact O-N 3.34Å; W138-Q142 VanDerWaalsContact O-N 3.11Å; W138-Q142 PolarHBondContact O-NE2 2.94Å; I140-Q142 PolarHBondContact O-N 3.47Å; Q142-K146 WeakPolarHBondContact O-CA 3.35Å; Q142-K146 PolarHBondContact O-N 3.41Å; Q142-K146 VanDerWaalsContact O-N 3.1Å; Q142-C147 WeakPolarHBondContact CA-O 3.25Å; Q142-C147 VanDerWaalsContact CB-O 3.31Å; Q142-C147 WeakPolarHBondContact CB-O 3.42Å; Q142-C147 WeakPolarHBondContact CG-O 3.21Å; Q142-C147 PolarHBondContact O-N 3.1Å; Q142-G149 VanDerWaalsContact OE1-N 3.12Å; Q142-W156 VanDerWaalsContact OE1-CE2 3.31Å; Q142-W156 VanDerWaalsContact OE1-CZ2 3.3Å; Q142-C169 VanDerWaalsContact CD-SG 3.59Å; Q142-C169 PolarHBondContact OE1-SG 3.03Å
143A89.1Confident87.7Confident40 Ų4049 Ų4933%0.33124%0.236SC..Hα-helixtrans-68.5-44.4177.600000112.4N139 I140 I141 R168N139-A143 VanDerWaalsContact O-CB 3.26Å; N139-A143 WeakPolarHBondContact O-CB 3.39Å; N139-A143 PolarHBondContact O-N 2.94Å; I140-A143 PolarHBondContact O-N 3.31Å; I141-A143 VanDerWaalsContact C-N 3.34Å; I141-A143 PolarHBondContact O-N 2.87Å; A143-R168 HydrophobicContact CB-CB 4.48Å
144E89.9Confident88.7Confident147 Ų14751.1 Ų51.169%0.68725%0.25SS*.Hα-helixtrans-77.5-42.4-174.7-169.166.3-146.300111.7I140 I141I140-E144 VanDerWaalsContact O-CB 3.31Å; I140-E144 WeakPolarHBondContact O-CB 3.42Å; I140-E144 PolarHBondContact O-N 3.44Å; I141-E144 PolarHBondContact O-N 2.95Å
145W90.7Very high89.5Confident97 Ų9751.3 Ų51.337%0.36725%0.252SS..Hα-helixtrans-90-1.7-176.6-67.164.4000113.3I141 C147 K193 V194 W197I141-W145 VanDerWaalsContact O-CB 3.25Å; I141-W145 WeakPolarHBondContact O-CB 3.01Å; I141-W145 PolarHBondContact O-N 3.39Å; W145-C147 VanDerWaalsContact C-N 3.32Å; W145-C147 PolarHBondContact O-N 3.29Å; W145-K193 HydrophobicContact CE3-CB 4.18Å; W145-V194 HydrophobicContact CE3-CG2 4.48Å; W145-V194 HydrophobicContact CZ3-CG2 4.11Å; W145-W197 HydrophobicContact CH2-CB 4.21Å; W145-W197 HydrophobicContact CH2-CD2 4.22Å; W145-W197 AromaticContact CH2-CG 3.97Å; W145-W197 HydrophobicContact CH2-CG 3.97Å; W145-W197 HydrophobicContact CZ3-CB 3.84Å; W145-W197 HydrophobicContact CZ3-CG 4.08Å
146K93.1Very high90Very high123 Ų12345.5 Ų45.554%0.53523%0.23SC..THydrogen-bonded Turntrans51.551.8177.4-61.6178.6-179177.30111.8Q142 W186Q142-K146 WeakPolarHBondContact O-CA 3.35Å; Q142-K146 PolarHBondContact O-N 3.41Å; Q142-K146 VanDerWaalsContact O-N 3.1Å; K146-W186 VanDerWaalsContact C-CG 3.46Å; K146-W186 HydrophobicContact CB-CD2 3.86Å; K146-W186 HydrophobicContact CB-CE3 4.1Å; K146-W186 HydrophobicContact CB-CG 4.5Å; K146-W186 HydrophobicContact CB-CH2 4.01Å; K146-W186 HydrophobicContact CB-CZ2 3.74Å; K146-W186 HydrophobicContact CB-CZ3 4.18Å; K146-W186 HydrophobicContact CD-CH2 3.89Å; K146-W186 HydrophobicContact CD-CZ2 3.9Å; K146-W186 HydrophobicContact CG-CH2 4.18Å; K146-W186 HydrophobicContact CG-CZ2 3.75Å
147C94.4Very high90.5Very high0 Ų044.9 Ų44.90%022%0.224CC..  trans-134.3163.2-177.460.20000109.8Q142 W145 R188 C190 K193Q142-C147 WeakPolarHBondContact CA-O 3.25Å; Q142-C147 VanDerWaalsContact CB-O 3.31Å; Q142-C147 WeakPolarHBondContact CB-O 3.42Å; Q142-C147 WeakPolarHBondContact CG-O 3.21Å; Q142-C147 PolarHBondContact O-N 3.1Å; W145-C147 VanDerWaalsContact C-N 3.32Å; W145-C147 PolarHBondContact O-N 3.29Å; C147-R188 WeakPolarHBondContact CA-O 3.34Å; C147-C190 HydrophobicContact CB-CB 3.87Å; C147-C190 WeakPolarHBondContact CB-SG 3.07Å; C147-C190 WeakPolarHBondContact SG-CA 3.28Å; C147-C190 WeakPolarHBondContact SG-CB 3.35Å; C147-C190 CovalentContact SG-SG 2.03Å; C147-C190 PolarHBondContact SG-SG 3.36Å; C147-K193 HydrophobicContact CB-CG 4.16Å
148C93.8Very high90.8Very high0 Ų050.6 Ų50.60%025%0.254CS..  trans-142.4129.3175.9-169.90000111.6A152 Y153 C169 W186 R188C148-A152 CarbonylContact O-C 3.52Å; C148-Y153 PolarHBondContact O-N 2.03Å; C148-Y153 VanDerWaalsContact O-N 3.15Å; C148-C169 VanDerWaalsContact CA-SG 3.59Å; C148-C169 HydrophobicContact CB-CB 3.66Å; C148-C169 WeakPolarHBondContact CB-SG 3.18Å; C148-C169 WeakPolarHBondContact SG-CB 3.33Å; C148-C169 CovalentContact SG-SG 2.04Å; C148-C169 PolarHBondContact SG-SG 3.23Å; C148-W186 HydrophobicContact CB-CB 4.15Å; C148-W186 VanDerWaalsContact CB-O 3.25Å; C148-W186 WeakPolarHBondContact CB-O 3.21Å; C148-R188 PolarHBondContact N-O 3.42Å
149G93.1Very high90.9Very high0 Ų051.2 Ų51.20%026%0.262CS..SBendtrans72.2-171-17600000112.7Q142 C190Q142-G149 VanDerWaalsContact OE1-N 3.12Å; G149-C190 WeakPolarHBondContact O-CB 3.28Å; G149-C190 PolarHBondContact O-N 3.07Å; G149-C190 PolarHBondContact O-SG 3.25Å
150V93.3Very high90.8Very high1 Ų151.6 Ų51.61%0.00626%0.264CS..SBendtrans-85.3-58.4-177.7-176.40000109.7K116 L119 K120 L123 W138 D155 G189 C190 F191K116-V150 HydrophobicContact CB-CG1 4.26Å; K116-V150 HydrophobicContact CG-CG1 4.35Å; L119-V150 HydrophobicContact CB-CB 4.49Å; L119-V150 HydrophobicContact CB-CG1 3.89Å; L119-V150 HydrophobicContact CB-CG2 3.72Å; L119-V150 HydrophobicContact CD1-CG1 4.07Å; K120-V150 HydrophobicContact CG-CB 4.09Å; K120-V150 HydrophobicContact CG-CG1 4.44Å; K120-V150 HydrophobicContact CG-CG2 3.78Å; L123-V150 HydrophobicContact CD1-CG2 3.33Å; L123-V150 HydrophobicContact CD2-CG2 4.47Å; W138-V150 HydrophobicContact CH2-CG2 4Å; V150-D155 PolarHBondContact N-OD2 3.11Å; V150-G189 CarbonylContact O-C 3.58Å; V150-G189 VanDerWaalsContact O-CA 3.28Å; V150-G189 WeakPolarHBondContact O-CA 3.3Å; V150-C190 PolarHBondContact O-N 3.2Å; V150-F191 HydrophobicContact CG1-CB 3.98Å; V150-F191 WeakPolarHBondContact O-CB 3.34Å; V150-F191 PolarHBondContact O-N 3.15Å
151I93.4Very high90.9Very high87 Ų8756 Ų5645%0.44628%0.28SS..SBendtrans-101.6-40.3178.9-55.2177.3000109.6K116 D155 G189K116-I151 HydrophobicContact CD-CD1 4.2Å; K116-I151 HydrophobicContact CD-CG1 4.35Å; I151-D155 PolarHBondContact N-OD2 2.85Å; I151-G189 VanDerWaalsContact C-CA 3.46Å; I151-G189 WeakPolarHBondContact O-CA 3.48Å; I151-G189 PolarHBondContact O-N 3.49Å; I151-G189 VanDerWaalsContact O-N 3.11Å
152A92.8Very high90.7Very high25 Ų2558.1 Ų58.121%0.20729%0.288CS..BIsolated β-bridgetrans-155.6165.2177.900000111.4C148 S154 D155C148-A152 CarbonylContact O-C 3.52Å; A152-S154 PolarHBondContact O-N 2.94Å; A152-D155 PolarHBondContact N-OD2 3.23Å; A152-D155 VanDerWaalsContact N-OD2 3.13Å; A152-D155 WeakPolarHBondContact O-CB 3.46Å; A152-D155 PolarHBondContact O-N 2.95Å
153Y90.6Very high90.5Very high93 Ų9366.9 Ų66.937%0.36533%0.326SS..THydrogen-bonded Turntrans-56.8-26.9177.174.1-87.2000113.2C148 D155 W156 H157 V165C148-Y153 PolarHBondContact O-N 2.03Å; C148-Y153 VanDerWaalsContact O-N 3.15Å; Y153-D155 PolarHBondContact O-N 3.36Å; Y153-W156 WeakPolarHBondContact O-CB 3.49Å; Y153-W156 PolarHBondContact O-N 3.4Å; Y153-H157 AromaticContact CE2-CE1 3.87Å; Y153-V165 HydrophobicContact CD2-CG1 4.33Å
154S91.4Very high90.5Very high50 Ų5066 Ų6635%0.3532%0.316SS..THydrogen-bonded Turntrans-63.8-21.217855.90000113.7A152 W156 H157A152-S154 PolarHBondContact O-N 2.94Å; S154-W156 PolarHBondContact O-N 3.47Å; S154-H157 VanDerWaalsContact O-CB 3.3Å; S154-H157 WeakPolarHBondContact O-CB 3.45Å; S154-H157 PolarHBondContact O-N 3.21Å
155D92.3Very high90.5Very high15 Ų1559.4 Ų59.48%0.0829%0.286CS..Hα-helixtrans-59-27.9175.6-66-40.6000111.6K120 L123 V150 I151 A152 Y153 H157 D158 A159K120-D155 VanDerWaalsContact CE-OD1 3.24Å; K120-D155 WeakPolarHBondContact CE-OD1 3.43Å; K120-D155 IonicContact NZ-OD1 2.78Å; K120-D155 PolarHBondContact NZ-OD1 3.49Å; L123-D155 HydrophobicContact CD2-CB 4Å; V150-D155 PolarHBondContact N-OD2 3.11Å; I151-D155 PolarHBondContact N-OD2 2.85Å; A152-D155 PolarHBondContact N-OD2 3.23Å; A152-D155 VanDerWaalsContact N-OD2 3.13Å; A152-D155 WeakPolarHBondContact O-CB 3.46Å; A152-D155 PolarHBondContact O-N 2.95Å; Y153-D155 PolarHBondContact O-N 3.36Å; D155-H157 VanDerWaalsContact C-N 3.3Å; D155-H157 PolarHBondContact O-N 3.22Å; D155-D158 PolarHBondContact O-N 3.47Å; D155-A159 PolarHBondContact O-N 2.94Å
156W91.9Very high90.5Very high0 Ų055.2 Ų55.20%027%0.271CS..Hα-helixtrans-69.1-27.6174.1-73.3109.8000113.4L123 Y126 W138 Q142 Y153 S154 D158 A159 L160 V165 P166L123-W156 HydrophobicContact CB-CZ3 4.3Å; L123-W156 HydrophobicContact CD2-CD2 3.77Å; L123-W156 HydrophobicContact CD2-CE3 3.98Å; L123-W156 HydrophobicContact CD2-CG 4.28Å; L123-W156 HydrophobicContact CD2-CH2 4.15Å; L123-W156 HydrophobicContact CD2-CZ2 3.95Å; L123-W156 HydrophobicContact CD2-CZ3 4.17Å; L123-W156 HydrophobicContact CG-CD2 4.48Å; L123-W156 HydrophobicContact CG-CE3 4.32Å; L123-W156 HydrophobicContact CG-CH2 3.83Å; L123-W156 HydrophobicContact CG-CZ2 3.99Å; L123-W156 HydrophobicContact CG-CZ3 4.02Å; Y126-W156 HydrophobicContact CD1-CH2 4.39Å; Y126-W156 AromaticContact CD1-CZ3 3.89Å; Y126-W156 HydrophobicContact CD1-CZ3 3.89Å; Y126-W156 AromaticContact CD2-CH2 3.52Å; Y126-W156 HydrophobicContact CD2-CH2 3.52Å; Y126-W156 AromaticContact CD2-CZ3 3.84Å; Y126-W156 HydrophobicContact CD2-CZ3 3.84Å; Y126-W156 HydrophobicContact CE1-CZ3 4.44Å; Y126-W156 AromaticContact CE2-CH2 3.94Å; Y126-W156 HydrophobicContact CE2-CH2 3.94Å; Y126-W156 HydrophobicContact CE2-CZ3 4.39Å; Y126-W156 AromaticContact CG-CH2 3.79Å; Y126-W156 HydrophobicContact CG-CH2 3.79Å; Y126-W156 AromaticContact CG-CZ3 3.57Å; Y126-W156 HydrophobicContact CG-CZ3 3.57Å; W138-W156 HydrophobicContact CB-CH2 4.41Å; W138-W156 HydrophobicContact CD2-CH2 4.43Å; W138-W156 HydrophobicContact CD2-CZ2 4.36Å; W138-W156 HydrophobicContact CE3-CZ2 4.2Å; W138-W156 HydrophobicContact CG-CH2 4.27Å; Q142-W156 VanDerWaalsContact OE1-CE2 3.31Å; Q142-W156 VanDerWaalsContact OE1-CZ2 3.3Å; Y153-W156 WeakPolarHBondContact O-CB 3.49Å; Y153-W156 PolarHBondContact O-N 3.4Å; S154-W156 PolarHBondContact O-N 3.47Å; W156-D158 VanDerWaalsContact C-N 3.28Å; W156-D158 PolarHBondContact O-N 3.44Å; W156-A159 HydrophobicContact CE3-CB 4.4Å; W156-A159 PolarHBondContact O-N 2.92Å; W156-L160 HydrophobicContact CB-CD1 4.46Å; W156-L160 HydrophobicContact CE3-CD1 4Å; W156-L160 HydrophobicContact CE3-CD2 4.5Å; W156-L160 HydrophobicContact CE3-CG 4.06Å; W156-L160 VanDerWaalsContact O-CB 3.29Å; W156-L160 WeakPolarHBondContact O-CB 3.4Å; W156-L160 WeakPolarHBondContact O-CG 3.24Å; W156-L160 PolarHBondContact O-N 3.42Å; W156-V165 HydrophobicContact CB-CB 4.47Å; W156-V165 HydrophobicContact CB-CG1 4.06Å; W156-V165 HydrophobicContact CG-CB 4.49Å; W156-V165 HydrophobicContact CG-CG1 4.38Å; W156-P166 HydrophobicContact CD2-CG 3.68Å; W156-P166 HydrophobicContact CE3-CG 3.76Å; W156-P166 HydrophobicContact CG-CG 4.42Å; W156-P166 HydrophobicContact CH2-CG 3.76Å; W156-P166 HydrophobicContact CZ2-CG 3.67Å; W156-P166 HydrophobicContact CZ3-CG 3.79Å
157H90.4Very high90.4Very high52 Ų5251.5 Ų51.524%0.24126%0.257CS..Hα-helixtrans-66.3-37.2178.7-57.7162.6000111.4Y153 S154 D155 K161 E162Y153-H157 AromaticContact CE2-CE1 3.87Å; S154-H157 VanDerWaalsContact O-CB 3.3Å; S154-H157 WeakPolarHBondContact O-CB 3.45Å; S154-H157 PolarHBondContact O-N 3.21Å; D155-H157 VanDerWaalsContact C-N 3.3Å; D155-H157 PolarHBondContact O-N 3.22Å; H157-K161 VanDerWaalsContact O-CA 3.23Å; H157-K161 WeakPolarHBondContact O-CA 3.36Å; H157-K161 PolarHBondContact O-N 2.92Å; H157-E162 VanDerWaalsContact CA-O 3.27Å; H157-E162 WeakPolarHBondContact CA-O 3.44Å; H157-E162 PolarHBondContact O-N 2.92Å
158D87.6Confident90.1Very high128 Ų12856.9 Ų56.968%0.68428%0.278SS*.Hα-helixtrans-73.2-42.7176.1-62.5-34.6000111D155 W156D155-D158 PolarHBondContact O-N 3.47Å; W156-D158 VanDerWaalsContact C-N 3.28Å; W156-D158 PolarHBondContact O-N 3.44Å
159A87.1Confident90Very high26 Ų2656.9 Ų56.922%0.21528%0.278CS..Hα-helixtrans-67.7-40.6-179.100000113.5L123 D155 W156L123-A159 HydrophobicContact CB-CB 3.73Å; L123-A159 HydrophobicContact CD2-CB 4.48Å; D155-A159 PolarHBondContact O-N 2.94Å; W156-A159 HydrophobicContact CE3-CB 4.4Å; W156-A159 PolarHBondContact O-N 2.92Å
160L87.2Confident89.9Confident32 Ų3257.3 Ų57.317%0.16828%0.28CS..Hα-helixtrans-93.9-8.7-178.3-59.7176.7000113Y126 N127 W156 E162 V164Y126-L160 HydrophobicContact CD1-CD2 4.28Å; N127-L160 WeakPolarHBondContact ND2-CD2 3.39Å; W156-L160 HydrophobicContact CB-CD1 4.46Å; W156-L160 HydrophobicContact CE3-CD1 4Å; W156-L160 HydrophobicContact CE3-CD2 4.5Å; W156-L160 HydrophobicContact CE3-CG 4.06Å; W156-L160 VanDerWaalsContact O-CB 3.29Å; W156-L160 WeakPolarHBondContact O-CB 3.4Å; W156-L160 WeakPolarHBondContact O-CG 3.24Å; W156-L160 PolarHBondContact O-N 3.42Å; L160-E162 PolarHBondContact O-N 2.84Å; L160-V164 HydrophobicContact CB-CG2 4.35Å; L160-V164 HydrophobicContact CD1-CG2 3.86Å
161K85.8Confident89.7Confident191 Ų19161.6 Ų61.683%0.8330%0.3SS*.SBendtrans55.725.4-175.5-56.3-176.1179.7-179.60113.9H157H157-K161 VanDerWaalsContact O-CA 3.23Å; H157-K161 WeakPolarHBondContact O-CA 3.36Å; H157-K161 PolarHBondContact O-N 2.92Å
162E86.2Confident89.3Confident113 Ų11364.9 Ų64.953%0.52831%0.314SS..SBendtrans-143.1151.3-178-75.6-176.2-171.900108.6H157 L160 V164H157-E162 VanDerWaalsContact CA-O 3.27Å; H157-E162 WeakPolarHBondContact CA-O 3.44Å; H157-E162 PolarHBondContact O-N 2.92Å; L160-E162 PolarHBondContact O-N 2.84Å; E162-V164 HydrophobicContact CB-CG1 4.28Å; E162-V164 HydrophobicContact CB-CG2 3.78Å; E162-V164 PolarHBondContact O-N 3.13Å
163K85.8Confident88.7Confident184 Ų18469 Ų6980%0.833%0.329SS*.SBendtrans-76.856.4176-69.5-177.2175179.40111.7
164V89.4Confident88.4Confident22 Ų2269.3 Ų69.313%0.13333%0.33CS..  trans-135.1155.9-177-54.20000110.6L160 E162 G178 R179L160-V164 HydrophobicContact CB-CG2 4.35Å; L160-V164 HydrophobicContact CD1-CG2 3.86Å; E162-V164 HydrophobicContact CB-CG1 4.28Å; E162-V164 HydrophobicContact CB-CG2 3.78Å; E162-V164 PolarHBondContact O-N 3.13Å; V164-G178 WeakPolarHBondContact CA-O 3.04Å; V164-R179 HydrophobicContact CB-CG 4.32Å; V164-R179 HydrophobicContact CG1-CB 4.32Å; V164-R179 HydrophobicContact CG1-CG 3.91Å
165V90.6Very high88Confident8 Ų874.8 Ų74.85%0.04835%0.35CS..  trans-122.4161.6172.8-60.30000110Y153 W156 C169 G178 F185Y153-V165 HydrophobicContact CD2-CG1 4.33Å; W156-V165 HydrophobicContact CB-CB 4.47Å; W156-V165 HydrophobicContact CB-CG1 4.06Å; W156-V165 HydrophobicContact CG-CB 4.49Å; W156-V165 HydrophobicContact CG-CG1 4.38Å; V165-C169 HydrophobicContact CB-CB 4.12Å; V165-C169 HydrophobicContact CG2-CB 3.91Å; V165-G178 PolarHBondContact N-O 2.89Å; V165-G178 VanDerWaalsContact O-CA 3.29Å; V165-G178 WeakPolarHBondContact O-CA 3.25Å; V165-F185 HydrophobicContact CG2-CD1 3.7Å; V165-F185 HydrophobicContact CG2-CD2 4.47Å; V165-F185 HydrophobicContact CG2-CE1 3.74Å; V165-F185 HydrophobicContact CG2-CE2 4.5Å; V165-F185 HydrophobicContact CG2-CG 4.09Å; V165-F185 HydrophobicContact CG2-CZ 4.15Å
166P90.9Very high87.6Confident10 Ų1077.5 Ų77.57%0.06537%0.365CS..  trans-61.3146.1169.1-24.635.1000112.3Y126 W156 R168 C169Y126-P166 HydrophobicContact CE1-CG 4.22Å; W156-P166 HydrophobicContact CD2-CG 3.68Å; W156-P166 HydrophobicContact CE3-CG 3.76Å; W156-P166 HydrophobicContact CG-CG 4.42Å; W156-P166 HydrophobicContact CH2-CG 3.76Å; W156-P166 HydrophobicContact CZ2-CG 3.67Å; W156-P166 HydrophobicContact CZ3-CG 3.79Å; P166-R168 PolarHBondContact O-N 2.76Å; P166-C169 VanDerWaalsContact O-CB 3.27Å; P166-C169 WeakPolarHBondContact O-CB 3.11Å; P166-C169 PolarHBondContact O-N 3.02Å
167D89.8Confident87.5Confident45 Ų4577.5 Ų77.524%0.24137%0.365CS..G310 helixtrans-61.3-17.7-179-70-18.5000114.2C169 H173 N176 C177 G178D167-C169 VanDerWaalsContact C-N 3.27Å; D167-H173 PolarHBondContact O-ND1 3.24Å; D167-H173 VanDerWaalsContact O-ND1 3.09Å; D167-N176 VanDerWaalsContact OD1-C 3.29Å; D167-N176 VanDerWaalsContact OD1-CA 3.26Å; D167-N176 WeakPolarHBondContact OD1-CA 3.16Å; D167-N176 PolarHBondContact OD1-N 3.41Å; D167-N176 PolarHBondContact OD2-N 2.85Å; D167-C177 VanDerWaalsContact CA-SG 3.5Å; D167-C177 PolarHBondContact O-SG 2.98Å; D167-C177 PolarHBondContact OD1-N 2.87Å; D167-C177 VanDerWaalsContact OD1-N 3.08Å; D167-G178 PolarHBondContact OD1-N 2.97Å
168R89.4Confident87.3Confident113 Ų11375.1 Ų75.143%0.42635%0.354SS..G310 helixtrans-77.1-10.5174.2-65.8-62.2-167.9168.41.2113.8N139 A143 P166N139-R168 HydrophobicContact CB-CB 4.42Å; N139-R168 HydrophobicContact CB-CG 3.79Å; N139-R168 VanDerWaalsContact OD1-CG 3.29Å; N139-R168 WeakPolarHBondContact OD1-CG 3.35Å; A143-R168 HydrophobicContact CB-CB 4.48Å; P166-R168 PolarHBondContact O-N 2.76Å
169C90.8Very high87.2Confident0 Ų076.7 Ų76.70%035%0.35CS..G310 helixtrans-81.6-14.1172.1-79.40000114.2Q142 C148 V165 P166 D167 W186Q142-C169 VanDerWaalsContact CD-SG 3.59Å; Q142-C169 PolarHBondContact OE1-SG 3.03Å; C148-C169 VanDerWaalsContact CA-SG 3.59Å; C148-C169 HydrophobicContact CB-CB 3.66Å; C148-C169 WeakPolarHBondContact CB-SG 3.18Å; C148-C169 WeakPolarHBondContact SG-CB 3.33Å; C148-C169 CovalentContact SG-SG 2.04Å; C148-C169 PolarHBondContact SG-SG 3.23Å; V165-C169 HydrophobicContact CB-CB 4.12Å; V165-C169 HydrophobicContact CG2-CB 3.91Å; P166-C169 VanDerWaalsContact O-CB 3.27Å; P166-C169 WeakPolarHBondContact O-CB 3.11Å; P166-C169 PolarHBondContact O-N 3.02Å; D167-C169 VanDerWaalsContact C-N 3.27Å; C169-W186 PolarHBondContact O-N 3.37Å
170C90.8Very high87Confident8 Ų878.5 Ų78.55%0.05436%0.356CS..BIsolated β-bridgetrans-74.3143-178.4-52.40000110.5E172 C177 G178C170-E172 VanDerWaalsContact CB-O 3.26Å; C170-E172 WeakPolarHBondContact CB-O 3.31Å; C170-C177 HydrophobicContact CB-CB 3.83Å; C170-C177 WeakPolarHBondContact CB-SG 3.45Å; C170-C177 WeakPolarHBondContact SG-CB 3.22Å; C170-C177 CovalentContact SG-SG 2.02Å; C170-C177 PolarHBondContact SG-SG 3.23Å; C170-G178 PolarHBondContact SG-N 3.45Å; C170-G178 VanDerWaalsContact SG-N 3.45Å
171Q88.8Confident86Confident91 Ų9182.1 Ų82.143%0.42538%0.384SS..SBendtrans-66.8-41.2174.7-64.9-17610.400111.2M184 F185 W186Q171-M184 HydrophobicContact CG-CB 4.35Å; Q171-M184 PolarHBondContact N-O 3.26Å; Q171-M184 VanDerWaalsContact N-O 3.14Å; Q171-F185 PolarHBondContact NE2-O 3.35Å; Q171-W186 HydrophobicContact CB-CZ2 4.19Å; Q171-W186 HydrophobicContact CG-CD2 3.92Å; Q171-W186 HydrophobicContact CG-CE3 4.05Å; Q171-W186 HydrophobicContact CG-CH2 4.01Å; Q171-W186 HydrophobicContact CG-CZ2 3.88Å; Q171-W186 HydrophobicContact CG-CZ3 4.09Å
172E84.9Confident85.5Confident157 Ų15778.9 Ų78.973%0.73438%0.38SS*.SBendtrans-101.9118.3169-67.5-172.9178.900109.5C170 Y174C170-E172 VanDerWaalsContact CB-O 3.26Å; C170-E172 WeakPolarHBondContact CB-O 3.31Å; E172-Y174 PolarHBondContact O-N 3.45Å
173H81.4Confident85Confident111 Ų11175.3 Ų75.351%0.51437%0.365SS..  trans-85.5117.1-176.3-174.362.3000111.3D167D167-H173 PolarHBondContact O-ND1 3.24Å; D167-H173 VanDerWaalsContact O-ND1 3.09Å
174Y83.6Confident84.9Confident100 Ų10073.4 Ų73.439%0.39236%0.361SS..  trans-151.7164.1168.667.1-90.6000110E172 N176 C177 N183E172-Y174 PolarHBondContact O-N 3.45Å; Y174-N176 PolarHBondContact O-N 2.87Å; Y174-C177 HydrophobicContact CD1-CB 3.67Å; Y174-C177 HydrophobicContact CD2-CB 3.99Å; Y174-C177 HydrophobicContact CE1-CB 3.44Å; Y174-C177 VanDerWaalsContact CE1-CB 3.44Å; Y174-C177 HydrophobicContact CE2-CB 3.78Å; Y174-C177 HydrophobicContact CG-CB 3.96Å; Y174-C177 WeakPolarHBondContact O-CB 3.26Å; Y174-C177 PolarHBondContact O-N 3.24Å; Y174-C177 PolarHBondContact O-SG 3.41Å; Y174-C177 VanDerWaalsContact O-SG 3.4Å; Y174-N183 PolarHBondContact OH-ND2 3.11Å; Y174-N183 PolarHBondContact OH-OD1 3.01Å
175Q84Confident84.9Confident164 Ų16474 Ų7477%0.76636%0.362SS*.THydrogen-bonded Turntrans-63.5127.9-174.2-165177.3-9.800111.6C177Q175-C177 VanDerWaalsContact C-N 3.32Å; Q175-C177 PolarHBondContact O-N 2.95Å
176N84.3Confident84.8Confident73 Ų7376.8 Ų76.839%0.3937%0.371SS..THydrogen-bonded Turntrans65.321.5-177.4-55.7-64.1000115.8D167 Y174 G178 R179D167-N176 VanDerWaalsContact OD1-C 3.29Å; D167-N176 VanDerWaalsContact OD1-CA 3.26Å; D167-N176 WeakPolarHBondContact OD1-CA 3.16Å; D167-N176 PolarHBondContact OD1-N 3.41Å; D167-N176 PolarHBondContact OD2-N 2.85Å; Y174-N176 PolarHBondContact O-N 2.87Å; N176-G178 PolarHBondContact O-N 3.38Å; N176-R179 PolarHBondContact O-N 2.81Å; N176-R179 PolarHBondContact OD1-NH1 3.38Å
177C88.3Confident84.6Confident0 Ų080.4 Ų80.40%040%0.397CS..G310 helixtrans-59.9-31175.667.30000112.4D167 C170 Y174 Q175 R179 N180 N183D167-C177 VanDerWaalsContact CA-SG 3.5Å; D167-C177 PolarHBondContact O-SG 2.98Å; D167-C177 PolarHBondContact OD1-N 2.87Å; D167-C177 VanDerWaalsContact OD1-N 3.08Å; C170-C177 HydrophobicContact CB-CB 3.83Å; C170-C177 WeakPolarHBondContact CB-SG 3.45Å; C170-C177 WeakPolarHBondContact SG-CB 3.22Å; C170-C177 CovalentContact SG-SG 2.02Å; C170-C177 PolarHBondContact SG-SG 3.23Å; Y174-C177 HydrophobicContact CD1-CB 3.67Å; Y174-C177 HydrophobicContact CD2-CB 3.99Å; Y174-C177 HydrophobicContact CE1-CB 3.44Å; Y174-C177 VanDerWaalsContact CE1-CB 3.44Å; Y174-C177 HydrophobicContact CE2-CB 3.78Å; Y174-C177 HydrophobicContact CG-CB 3.96Å; Y174-C177 WeakPolarHBondContact O-CB 3.26Å; Y174-C177 PolarHBondContact O-N 3.24Å; Y174-C177 PolarHBondContact O-SG 3.41Å; Y174-C177 VanDerWaalsContact O-SG 3.4Å; Q175-C177 VanDerWaalsContact C-N 3.32Å; Q175-C177 PolarHBondContact O-N 2.95Å; C177-R179 PolarHBondContact O-N 3.36Å; C177-N180 PolarHBondContact O-N 2.92Å; C177-N183 PolarHBondContact O-ND2 2.91Å
178G86.4Confident84.7Confident1 Ų183.5 Ų83.51%0.0141%0.405CS..G310 helixtrans-73.2-8.3-177.100000115.1V164 V165 D167 C170 N176V164-G178 WeakPolarHBondContact CA-O 3.04Å; V165-G178 PolarHBondContact N-O 2.89Å; V165-G178 VanDerWaalsContact O-CA 3.29Å; V165-G178 WeakPolarHBondContact O-CA 3.25Å; D167-G178 PolarHBondContact OD1-N 2.97Å; C170-G178 PolarHBondContact SG-N 3.45Å; C170-G178 VanDerWaalsContact SG-N 3.45Å; N176-G178 PolarHBondContact O-N 3.38Å
179R85.6Confident84.9Confident161 Ų16178.1 Ų78.161%0.60839%0.385SS*.G310 helixtrans-94.7-15.5176.6-65.9-169.7165.1118.9-5.4113.9V164 N176 C177V164-R179 HydrophobicContact CB-CG 4.32Å; V164-R179 HydrophobicContact CG1-CB 4.32Å; V164-R179 HydrophobicContact CG1-CG 3.91Å; N176-R179 PolarHBondContact O-N 2.81Å; N176-R179 PolarHBondContact OD1-NH1 3.38Å; C177-R179 PolarHBondContact O-N 3.36Å
180N82.3Confident85.1Confident65 Ų6578.5 Ų78.535%0.34839%0.388SS..  trans-95.7104.5-178.8-178.65.9000109.6C177 T182 N183 F185C177-N180 PolarHBondContact O-N 2.92Å; N180-T182 PolarHBondContact O-N 3.3Å; N180-T182 VanDerWaalsContact O-N 3.08Å; N180-T182 WeakPolarHBondContact OD1-CB 3.46Å; N180-T182 PolarHBondContact OD1-N 3.41Å; N180-T182 PolarHBondContact OD1-OG1 3.07Å; N180-N183 PolarHBondContact ND2-OD1 3.23Å; N180-N183 VanDerWaalsContact O-CB 3.31Å; N180-N183 WeakPolarHBondContact O-CB 3.31Å; N180-N183 PolarHBondContact O-N 3.42Å; N180-F185 WeakPolarHBondContact O-CZ 3.48Å
181S67.5Low85.2Confident108 Ų10879.3 Ų79.376%0.75539%0.39SS*.THydrogen-bonded Turntrans-63.6-13.2-177.252.50000114.6N183S181-N183 VanDerWaalsContact C-N 3.25Å
182T73.9Confident85.4Confident122 Ų12279.1 Ų79.175%0.74839%0.389SS*.THydrogen-bonded Turntrans-78.6-9175.5-12.10000113.1N180N180-T182 PolarHBondContact O-N 3.3Å; N180-T182 VanDerWaalsContact O-N 3.08Å; N180-T182 WeakPolarHBondContact OD1-CB 3.46Å; N180-T182 PolarHBondContact OD1-N 3.41Å; N180-T182 PolarHBondContact OD1-OG1 3.07Å
183N77.3Confident85.8Confident38 Ų3874.2 Ų74.220%0.20337%0.366CS..SBendtrans-82.4155-177.4-71.7-16.3000113.3Y174 C177 N180 S181 F185Y174-N183 PolarHBondContact OH-ND2 3.11Å; Y174-N183 PolarHBondContact OH-OD1 3.01Å; C177-N183 PolarHBondContact O-ND2 2.91Å; N180-N183 PolarHBondContact ND2-OD1 3.23Å; N180-N183 VanDerWaalsContact O-CB 3.31Å; N180-N183 WeakPolarHBondContact O-CB 3.31Å; N180-N183 PolarHBondContact O-N 3.42Å; S181-N183 VanDerWaalsContact C-N 3.25Å; N183-F185 HydrophobicContact CB-CD1 4.48Å; N183-F185 HydrophobicContact CB-CE1 3.78Å; N183-F185 HydrophobicContact CB-CZ 3.99Å
184M83.4Confident86.3Confident145 Ų14571.6 Ų71.671%0.71436%0.357SS*.PPolyproline II helixtrans-83.3117.2170.5-67.6-172.6179.100110.7Q171Q171-M184 HydrophobicContact CG-CB 4.35Å; Q171-M184 PolarHBondContact N-O 3.26Å; Q171-M184 VanDerWaalsContact N-O 3.14Å
185F88.6Confident86.7Confident35 Ų3571.1 Ų71.115%0.15436%0.358CS..BIsolated β-bridgetrans-100.8160.6171.1-47.7-55.5000110.4V165 Q171 N180 N183 S187V165-F185 HydrophobicContact CG2-CD1 3.7Å; V165-F185 HydrophobicContact CG2-CD2 4.47Å; V165-F185 HydrophobicContact CG2-CE1 3.74Å; V165-F185 HydrophobicContact CG2-CE2 4.5Å; V165-F185 HydrophobicContact CG2-CG 4.09Å; V165-F185 HydrophobicContact CG2-CZ 4.15Å; Q171-F185 PolarHBondContact NE2-O 3.35Å; N180-F185 WeakPolarHBondContact O-CZ 3.48Å; N183-F185 HydrophobicContact CB-CD1 4.48Å; N183-F185 HydrophobicContact CB-CE1 3.78Å; N183-F185 HydrophobicContact CB-CZ 3.99Å; F185-S187 PolarHBondContact O-N 3.48Å
186W89.8Confident87.2Confident66 Ų6666.8 Ų66.825%0.2534%0.338CS..PPolyproline II helixtrans-64.8118.5165.1-60.2114000109.2K146 C148 C169 Q171K146-W186 VanDerWaalsContact C-CG 3.46Å; K146-W186 HydrophobicContact CB-CD2 3.86Å; K146-W186 HydrophobicContact CB-CE3 4.1Å; K146-W186 HydrophobicContact CB-CG 4.5Å; K146-W186 HydrophobicContact CB-CH2 4.01Å; K146-W186 HydrophobicContact CB-CZ2 3.74Å; K146-W186 HydrophobicContact CB-CZ3 4.18Å; K146-W186 HydrophobicContact CD-CH2 3.89Å; K146-W186 HydrophobicContact CD-CZ2 3.9Å; K146-W186 HydrophobicContact CG-CH2 4.18Å; K146-W186 HydrophobicContact CG-CZ2 3.75Å; C148-W186 HydrophobicContact CB-CB 4.15Å; C148-W186 VanDerWaalsContact CB-O 3.25Å; C148-W186 WeakPolarHBondContact CB-O 3.21Å; C169-W186 PolarHBondContact O-N 3.37Å; Q171-W186 HydrophobicContact CB-CZ2 4.19Å; Q171-W186 HydrophobicContact CG-CD2 3.92Å; Q171-W186 HydrophobicContact CG-CE3 4.05Å; Q171-W186 HydrophobicContact CG-CH2 4.01Å; Q171-W186 HydrophobicContact CG-CZ2 3.88Å; Q171-W186 HydrophobicContact CG-CZ3 4.09Å
187S86.2Confident87.6Confident86 Ų8668.3 Ų68.360%0.60134%0.339SS*.  trans-81.4-26.8-178.255.90000113.1F185F185-S187 PolarHBondContact O-N 3.48Å
188R92Very high87.7Confident109 Ų10971.7 Ų71.741%0.41136%0.357SS..BIsolated β-bridgetrans-76.5137.3179.5-66.2-164.5-175.6-175.61.2111.7C147 C148 E196C147-R188 WeakPolarHBondContact CA-O 3.34Å; C148-R188 PolarHBondContact N-O 3.42Å; R188-E196 IonicContact NH1-OE1 2.8Å; R188-E196 IonicContact NH1-OE2 3.51Å; R188-E196 PolarHBondContact NH1-OE2 2.89Å
189G94Very high88Confident0 Ų073.6 Ų73.60%038%0.376CS..  trans-69.4150.8171.400000112.7V150 I151 F191 K193V150-G189 CarbonylContact O-C 3.58Å; V150-G189 VanDerWaalsContact O-CA 3.28Å; V150-G189 WeakPolarHBondContact O-CA 3.3Å; I151-G189 VanDerWaalsContact C-CA 3.46Å; I151-G189 WeakPolarHBondContact O-CA 3.48Å; I151-G189 PolarHBondContact O-N 3.49Å; I151-G189 VanDerWaalsContact O-N 3.11Å; G189-F191 VanDerWaalsContact C-N 3.28Å; G189-F191 PolarHBondContact O-N 3.02Å; G189-K193 PolarHBondContact O-N 2.88Å
190C94.3Very high88.5Confident9 Ų972.5 Ų72.56%0.06138%0.378CS..Hα-helixtrans-68.7-27.7178.1-64.50000113I141 C147 G149 V150 K193 V194I141-C190 HydrophobicContact CG2-CB 4.4Å; C147-C190 HydrophobicContact CB-CB 3.87Å; C147-C190 WeakPolarHBondContact CB-SG 3.07Å; C147-C190 WeakPolarHBondContact SG-CA 3.28Å; C147-C190 WeakPolarHBondContact SG-CB 3.35Å; C147-C190 CovalentContact SG-SG 2.03Å; C147-C190 PolarHBondContact SG-SG 3.36Å; G149-C190 WeakPolarHBondContact O-CB 3.28Å; G149-C190 PolarHBondContact O-N 3.07Å; G149-C190 PolarHBondContact O-SG 3.25Å; V150-C190 PolarHBondContact O-N 3.2Å; C190-K193 PolarHBondContact O-N 2.97Å; C190-V194 WeakPolarHBondContact O-CG2 3.46Å; C190-V194 PolarHBondContact O-N 3.31Å; C190-V194 VanDerWaalsContact O-N 3.11Å
191F92.9Very high89.1Confident25 Ų2571.5 Ų71.511%0.1137%0.373CS..Hα-helixtrans-67.2-44.4178.1-170.8-93.3000111.8S112 A115 K116 L119 V150 G189 K193 V194 E195S112-F191 VanDerWaalsContact OG-CE1 3.23Å; S112-F191 WeakPolarHBondContact OG-CE1 3.37Å; S112-F191 VanDerWaalsContact OG-CZ 3.29Å; S112-F191 WeakPolarHBondContact OG-CZ 3.2Å; A115-F191 HydrophobicContact CB-CE2 3.85Å; A115-F191 HydrophobicContact CB-CZ 4.44Å; K116-F191 HydrophobicContact CD-CD1 4.17Å; K116-F191 HydrophobicContact CD-CE1 4.13Å; K116-F191 VanDerWaalsContact CE-CD1 3.44Å; K116-F191 HydrophobicContact CG-CD1 3.78Å; K116-F191 HydrophobicContact CG-CD2 4Å; K116-F191 HydrophobicContact CG-CE1 3.82Å; K116-F191 HydrophobicContact CG-CE2 4.05Å; K116-F191 HydrophobicContact CG-CG 3.85Å; K116-F191 HydrophobicContact CG-CZ 3.96Å; L119-F191 HydrophobicContact CD1-CD2 3.75Å; L119-F191 HydrophobicContact CD1-CE2 4.49Å; V150-F191 HydrophobicContact CG1-CB 3.98Å; V150-F191 WeakPolarHBondContact O-CB 3.34Å; V150-F191 PolarHBondContact O-N 3.15Å; G189-F191 VanDerWaalsContact C-N 3.28Å; G189-F191 PolarHBondContact O-N 3.02Å; F191-K193 VanDerWaalsContact C-N 3.25Å; F191-K193 PolarHBondContact O-N 3.4Å; F191-V194 WeakPolarHBondContact O-CB 3.29Å; F191-V194 PolarHBondContact O-N 2.85Å; F191-E195 HydrophobicContact CD1-CG 4.08Å; F191-E195 HydrophobicContact CE1-CG 3.75Å; F191-E195 WeakPolarHBondContact CE1-OE1 3.38Å; F191-E195 WeakPolarHBondContact CE1-OE2 3.46Å; F191-E195 HydrophobicContact CZ-CG 4.38Å; F191-E195 PolarHBondContact O-N 2.78Å
192E93.6Very high90.2Very high87 Ų8772.7 Ų72.741%0.40736%0.364SS..Hα-helixtrans-58.6-40175.2-173.6-170.1153.500111.1V194 E195 E196E192-V194 VanDerWaalsContact C-N 3.32Å; E192-V194 PolarHBondContact O-N 3.03Å; E192-E195 PolarHBondContact O-N 3.03Å; E192-E196 WeakPolarHBondContact O-CB 3.44Å; E192-E196 PolarHBondContact O-N 3.42Å
193K93.6Very high91.2Very high54 Ų5473.8 Ų73.824%0.23536%0.36CS..Hα-helixtrans-63.1-36.8175.4-82.3-73.9168.2-156.50113.1W145 C147 G189 C190 F191 E196 W197W145-K193 HydrophobicContact CE3-CB 4.18Å; C147-K193 HydrophobicContact CB-CG 4.16Å; G189-K193 PolarHBondContact O-N 2.88Å; C190-K193 PolarHBondContact O-N 2.97Å; F191-K193 VanDerWaalsContact C-N 3.25Å; F191-K193 PolarHBondContact O-N 3.4Å; K193-E196 IonicContact NZ-OE2 2.73Å; K193-E196 PolarHBondContact NZ-OE2 3.27Å; K193-W197 WeakPolarHBondContact O-CB 3.27Å; K193-W197 PolarHBondContact O-N 3.41Å
194V91.9Very high92Very high56 Ų5676.4 Ų76.434%0.33937%0.374SS..Hα-helixtrans-67.3-43.9173.3172.50000110.6W145 C190 F191 E192 W197 L198W145-V194 HydrophobicContact CE3-CG2 4.48Å; W145-V194 HydrophobicContact CZ3-CG2 4.11Å; C190-V194 WeakPolarHBondContact O-CG2 3.46Å; C190-V194 PolarHBondContact O-N 3.31Å; C190-V194 VanDerWaalsContact O-N 3.11Å; F191-V194 WeakPolarHBondContact O-CB 3.29Å; F191-V194 PolarHBondContact O-N 2.85Å; E192-V194 VanDerWaalsContact C-N 3.32Å; E192-V194 PolarHBondContact O-N 3.03Å; V194-W197 PolarHBondContact O-N 3.12Å; V194-L198 HydrophobicContact CG1-CD1 3.97Å; V194-L198 HydrophobicContact CG1-CG 4.24Å; V194-L198 WeakPolarHBondContact O-CB 3.42Å; V194-L198 VanDerWaalsContact O-CG 3.25Å; V194-L198 WeakPolarHBondContact O-CG 3.06Å; V194-L198 PolarHBondContact O-N 2.98Å
195E91.4Very high92.4Very high89 Ų8972.9 Ų72.942%0.41636%0.358SS..Hα-helixtrans-62-42.9176.7-71.1-176.5128.200112.4S112 F191 E192 L198 G199S112-E195 PolarHBondContact OG-OE1 3.11Å; F191-E195 HydrophobicContact CD1-CG 4.08Å; F191-E195 HydrophobicContact CE1-CG 3.75Å; F191-E195 WeakPolarHBondContact CE1-OE1 3.38Å; F191-E195 WeakPolarHBondContact CE1-OE2 3.46Å; F191-E195 HydrophobicContact CZ-CG 4.38Å; F191-E195 PolarHBondContact O-N 2.78Å; E192-E195 PolarHBondContact O-N 3.03Å; E195-L198 PolarHBondContact O-N 3.12Å; E195-G199 PolarHBondContact O-N 3.25Å
196E93.3Very high92.6Very high74 Ų7473.2 Ų73.235%0.34637%0.371SS..Hα-helixtrans-59.2-49.3174.6-171.1174.4-149.400110.2R188 E192 K193 L198 G199 E200R188-E196 IonicContact NH1-OE1 2.8Å; R188-E196 IonicContact NH1-OE2 3.51Å; R188-E196 PolarHBondContact NH1-OE2 2.89Å; E192-E196 WeakPolarHBondContact O-CB 3.44Å; E192-E196 PolarHBondContact O-N 3.42Å; K193-E196 IonicContact NZ-OE2 2.73Å; K193-E196 PolarHBondContact NZ-OE2 3.27Å; E196-L198 PolarHBondContact O-N 2.53Å; E196-G199 PolarHBondContact O-N 3.37Å; E196-E200 WeakPolarHBondContact O-CG 3.35Å; E196-E200 PolarHBondContact O-N 3.02Å
197W92.8Very high92.9Very high104 Ų10474.1 Ų74.139%0.39438%0.384SS..Hα-helixtrans-61.9-42.8177.5-177.187.6000112.7W145 K193 V194 G199 E200 N201 L205W145-W197 HydrophobicContact CH2-CB 4.21Å; W145-W197 HydrophobicContact CH2-CD2 4.22Å; W145-W197 AromaticContact CH2-CG 3.97Å; W145-W197 HydrophobicContact CH2-CG 3.97Å; W145-W197 HydrophobicContact CZ3-CB 3.84Å; W145-W197 HydrophobicContact CZ3-CG 4.08Å; K193-W197 WeakPolarHBondContact O-CB 3.27Å; K193-W197 PolarHBondContact O-N 3.41Å; V194-W197 PolarHBondContact O-N 3.12Å; W197-G199 VanDerWaalsContact C-N 3.33Å; W197-G199 PolarHBondContact O-N 3.05Å; W197-E200 PolarHBondContact O-N 3.43Å; W197-N201 HydrophobicContact CZ2-CB 4.36Å; W197-N201 PolarHBondContact NE1-ND2 3.22Å; W197-N201 VanDerWaalsContact O-CB 3.3Å; W197-N201 WeakPolarHBondContact O-CB 3.48Å; W197-N201 PolarHBondContact O-N 2.87Å; W197-N201 PolarHBondContact O-ND2 3.02Å; W197-L205 HydrophobicContact CZ3-CD1 4.34Å
198L91.4Very high93.3Very high72 Ų7274.1 Ų74.138%0.37738%0.376SS..Hα-helixtrans-62.6-40.9175.7-73.2174.4000111.2V194 E195 E196 N201 K202 L205V194-L198 HydrophobicContact CG1-CD1 3.97Å; V194-L198 HydrophobicContact CG1-CG 4.24Å; V194-L198 WeakPolarHBondContact O-CB 3.42Å; V194-L198 VanDerWaalsContact O-CG 3.25Å; V194-L198 WeakPolarHBondContact O-CG 3.06Å; V194-L198 PolarHBondContact O-N 2.98Å; E195-L198 PolarHBondContact O-N 3.12Å; E196-L198 PolarHBondContact O-N 2.53Å; L198-N201 CarbonylContact O-C 3.59Å; L198-N201 PolarHBondContact O-N 3.34Å; L198-K202 WeakPolarHBondContact O-CA 3.24Å; L198-K202 WeakPolarHBondContact O-CB 3.3Å; L198-K202 PolarHBondContact O-N 2.89Å; L198-L205 HydrophobicContact CD2-CD1 3.5Å; L198-L205 VanDerWaalsContact CD2-CD1 3.5Å
199G92.7Very high93.4Very high41 Ų4170.8 Ų70.842%0.42338%0.375SS..Hα-helixtrans-64.1-44177.400000112.8E195 E196 W197 K202E195-G199 PolarHBondContact O-N 3.25Å; E196-G199 PolarHBondContact O-N 3.37Å; W197-G199 VanDerWaalsContact C-N 3.33Å; W197-G199 PolarHBondContact O-N 3.05Å; G199-K202 WeakPolarHBondContact O-CD 3.27Å; G199-K202 WeakPolarHBondContact O-CG 3.47Å
200E95.1Very high93.5Very high138 Ų13876.2 Ų76.265%0.64540%0.402SS*.Hα-helixtrans-67.2-38.7176.7-71.8-179.4166.200112.1E196 W197E196-E200 WeakPolarHBondContact O-CG 3.35Å; E196-E200 PolarHBondContact O-N 3.02Å; W197-E200 PolarHBondContact O-N 3.43Å
201N94.8Very high93.5Very high44 Ų4479.8 Ų79.824%0.23542%0.424CS..THydrogen-bonded Turntrans-99.711-174.4-65.6-83.3000114W197 L198 H203 L204 L205W197-N201 HydrophobicContact CZ2-CB 4.36Å; W197-N201 PolarHBondContact NE1-ND2 3.22Å; W197-N201 VanDerWaalsContact O-CB 3.3Å; W197-N201 WeakPolarHBondContact O-CB 3.48Å; W197-N201 PolarHBondContact O-N 2.87Å; W197-N201 PolarHBondContact O-ND2 3.02Å; L198-N201 CarbonylContact O-C 3.59Å; L198-N201 PolarHBondContact O-N 3.34Å; N201-H203 PolarHBondContact O-N 2.9Å; N201-H203 VanDerWaalsContact O-N 3.12Å; N201-L204 WeakPolarHBondContact O-CB 3.43Å; N201-L204 PolarHBondContact O-N 2.94Å; N201-L205 PolarHBondContact O-N 3.07Å
202K92.1Very high93.6Very high132 Ų13282.4 Ų82.457%0.57444%0.438SS*.Hα-helixtrans-55.7-34.1-177.968.7-174.5177.2-177.90113.7L198 G199 G206L198-K202 WeakPolarHBondContact O-CA 3.24Å; L198-K202 WeakPolarHBondContact O-CB 3.3Å; L198-K202 PolarHBondContact O-N 2.89Å; G199-K202 WeakPolarHBondContact O-CD 3.27Å; G199-K202 WeakPolarHBondContact O-CG 3.47Å; K202-G206 PolarHBondContact O-N 2.85Å
203H94.4Very high93.7Very high145 Ų14580.7 Ų80.767%0.67143%0.431SS*.Hα-helixtrans-67.9-39.7177.2-70.4-70.9000112N201 T207N201-H203 PolarHBondContact O-N 2.9Å; N201-H203 VanDerWaalsContact O-N 3.12Å; H203-T207 WeakPolarHBondContact O-CB 3.27Å; H203-T207 PolarHBondContact O-N 3.08Å; H203-T207 PolarHBondContact O-OG1 2.88Å
204L94.5Very high93.8Very high93 Ų9381.6 Ų81.649%0.48744%0.441SS..Hα-helixtrans-65.1-49.5175.6178.165.2000110.3N201 G206 T207 I208N201-L204 WeakPolarHBondContact O-CB 3.43Å; N201-L204 PolarHBondContact O-N 2.94Å; L204-G206 PolarHBondContact O-N 3.14Å; L204-T207 WeakPolarHBondContact O-CB 3.08Å; L204-T207 PolarHBondContact O-N 3.09Å; L204-T207 VanDerWaalsContact O-N 3.16Å; L204-I208 HydrophobicContact CD1-CD1 4.29Å; L204-I208 HydrophobicContact CG-CD1 4.1Å; L204-I208 WeakPolarHBondContact O-CG1 3.26Å; L204-I208 PolarHBondContact O-N 2.9Å
205L91.8Very high93.9Very high72 Ų7281.8 Ų81.838%0.37744%0.442SS..Hα-helixtrans-60.1-44.7178.5-67.4169.8000112W197 L198 N201 T207 I208 G209W197-L205 HydrophobicContact CZ3-CD1 4.34Å; L198-L205 HydrophobicContact CD2-CD1 3.5Å; L198-L205 VanDerWaalsContact CD2-CD1 3.5Å; N201-L205 PolarHBondContact O-N 3.07Å; L205-T207 VanDerWaalsContact C-N 3.33Å; L205-T207 PolarHBondContact O-N 3.27Å; L205-I208 PolarHBondContact O-N 3Å; L205-G209 PolarHBondContact O-N 3.06Å
206G93.3Very high94.1Very high41 Ų4178.2 Ų78.242%0.42343%0.426SS..Hα-helixtrans-60.8-40.8174.900000112.5K202 L204 G209 M210K202-G206 PolarHBondContact O-N 2.85Å; L204-G206 PolarHBondContact O-N 3.14Å; G206-G209 PolarHBondContact O-N 2.02Å; G206-M210 WeakPolarHBondContact O-CG 3.02Å; G206-M210 PolarHBondContact O-N 3.45Å
207T95.3Very high94.2Very high86 Ų8678.7 Ų78.753%0.52843%0.43SS..Hα-helixtrans-64.6-44.5177.2-580000111.5H203 L204 L205 G209 M210 V211H203-T207 WeakPolarHBondContact O-CB 3.27Å; H203-T207 PolarHBondContact O-N 3.08Å; H203-T207 PolarHBondContact O-OG1 2.88Å; L204-T207 WeakPolarHBondContact O-CB 3.08Å; L204-T207 PolarHBondContact O-N 3.09Å; L204-T207 VanDerWaalsContact O-N 3.16Å; L205-T207 VanDerWaalsContact C-N 3.33Å; L205-T207 PolarHBondContact O-N 3.27Å; T207-G209 VanDerWaalsContact C-N 3.35Å; T207-G209 PolarHBondContact O-N 2.04Å; T207-M210 PolarHBondContact O-N 3.03Å; T207-V211 WeakPolarHBondContact O-CG2 2.92Å; T207-V211 PolarHBondContact O-N 2.63Å
208I94.6Very high94.3Very high86 Ų8677.7 Ų77.744%0.44143%0.432SS..Hα-helixtrans-59.4-47.2176.5-67.6166.2000110.2L204 L205 M210 V211 I212L204-I208 HydrophobicContact CD1-CD1 4.29Å; L204-I208 HydrophobicContact CG-CD1 4.1Å; L204-I208 WeakPolarHBondContact O-CG1 3.26Å; L204-I208 PolarHBondContact O-N 2.9Å; L205-I208 PolarHBondContact O-N 3Å; I208-M210 PolarHBondContact O-N 2.9Å; I208-V211 PolarHBondContact O-N 3Å; I208-I212 HydrophobicContact CG2-CD1 3.94Å; I208-I212 WeakPolarHBondContact O-CG1 3.31Å; I208-I212 PolarHBondContact O-N 3.1Å
209G93.8Very high94.4Very high38 Ų3874.9 Ų74.939%0.39242%0.42SS..Hα-helixtrans-59.8-43.2177.100000113.1L205 G206 T207 V211 I212 L213L205-G209 PolarHBondContact O-N 3.06Å; G206-G209 PolarHBondContact O-N 2.02Å; T207-G209 VanDerWaalsContact C-N 3.35Å; T207-G209 PolarHBondContact O-N 2.04Å; G209-V211 PolarHBondContact O-N 3.36Å; G209-I212 PolarHBondContact O-N 3.21Å; G209-L213 PolarHBondContact O-N 2.87Å
210M95.4Very high94.6Very high115 Ų11573.7 Ų73.757%0.56740%0.404SS*.Hα-helixtrans-64-38.6176.6-73.3-60.7-64.100112.6G206 T207 I208 L213 V214G206-M210 WeakPolarHBondContact O-CG 3.02Å; G206-M210 PolarHBondContact O-N 3.45Å; T207-M210 PolarHBondContact O-N 3.03Å; I208-M210 PolarHBondContact O-N 2.9Å; M210-L213 PolarHBondContact O-N 3.24Å; M210-L213 HydrophobicContact SD-CD2 4.4Å; M210-V214 WeakPolarHBondContact O-CG2 3.29Å; M210-V214 PolarHBondContact O-N 3.45Å
211V95.6Very high94.6Very high84 Ų8469.4 Ų69.451%0.50939%0.392SS..Hα-helixtrans-63.9-45.4175.7170.10000110.7T207 I208 G209 L213 V214 V215T207-V211 WeakPolarHBondContact O-CG2 2.92Å; T207-V211 PolarHBondContact O-N 2.63Å; I208-V211 PolarHBondContact O-N 3Å; G209-V211 PolarHBondContact O-N 3.36Å; V211-L213 VanDerWaalsContact C-N 3.34Å; V211-L213 PolarHBondContact O-N 2.92Å; V211-V214 PolarHBondContact O-N 3.42Å; V211-V215 HydrophobicContact CG1-CG2 4.27Å; V211-V215 WeakPolarHBondContact O-CB 3.42Å; V211-V215 VanDerWaalsContact O-CG2 3.26Å; V211-V215 WeakPolarHBondContact O-CG2 3.28Å; V211-V215 PolarHBondContact O-N 3.33Å
212I93.7Very high94.5Very high80 Ų8070.3 Ų70.341%0.4139%0.394SS..Hα-helixtrans-57.3-49.2177-67.6166.5000110.1I208 G209 V214 V215 Q216I208-I212 HydrophobicContact CG2-CD1 3.94Å; I208-I212 WeakPolarHBondContact O-CG1 3.31Å; I208-I212 PolarHBondContact O-N 3.1Å; G209-I212 PolarHBondContact O-N 3.21Å; I212-V214 PolarHBondContact O-N 3.04Å; I212-V215 PolarHBondContact O-N 3.37Å; I212-Q216 WeakPolarHBondContact O-CB 3.38Å; I212-Q216 PolarHBondContact O-N 3.49Å
213L95.9Very high94.5Very high50 Ų5064 Ų6426%0.26237%0.367SS..Hα-helixtrans-57.5-49178.6179.964.6000112.1L94 G209 M210 V211 Q216 L217L94-L213 HydrophobicContact CD1-CD1 3.33Å; G209-L213 PolarHBondContact O-N 2.87Å; M210-L213 PolarHBondContact O-N 3.24Å; M210-L213 HydrophobicContact SD-CD2 4.4Å; V211-L213 VanDerWaalsContact C-N 3.34Å; V211-L213 PolarHBondContact O-N 2.92Å; L213-Q216 PolarHBondContact O-N 2.83Å; L213-L217 HydrophobicContact CG-CD1 4.37Å; L213-L217 WeakPolarHBondContact O-CG 3.27Å; L213-L217 PolarHBondContact O-N 3.46Å
214V96.1Very high94.4Very high73 Ų7361 Ų6144%0.44235%0.354SS..Hα-helixtrans-63-45179.7169.70000111.1M210 V211 I212 Q216 L217 L218M210-V214 WeakPolarHBondContact O-CG2 3.29Å; M210-V214 PolarHBondContact O-N 3.45Å; V211-V214 PolarHBondContact O-N 3.42Å; I212-V214 PolarHBondContact O-N 3.04Å; V214-Q216 VanDerWaalsContact C-N 3.3Å; V214-Q216 PolarHBondContact O-N 3.39Å; V214-L217 PolarHBondContact O-N 3.18Å; V214-L218 HydrophobicContact CG1-CD1 4Å; V214-L218 HydrophobicContact CG1-CG 4.39Å; V214-L218 WeakPolarHBondContact O-CB 2.93Å; V214-L218 VanDerWaalsContact O-CG 3.32Å; V214-L218 WeakPolarHBondContact O-CG 3.22Å; V214-L218 PolarHBondContact O-N 2.72Å
215V93.9Very high94.3Very high61 Ų6160 Ų6037%0.3735%0.352SS..Hα-helixtrans-60.9-41.7178.7168.70000111.1F20 V211 I212 L218 G219F20-V215 HydrophobicContact CE2-CG1 3.95Å; F20-V215 HydrophobicContact CZ-CG1 3.79Å; V211-V215 HydrophobicContact CG1-CG2 4.27Å; V211-V215 WeakPolarHBondContact O-CB 3.42Å; V211-V215 VanDerWaalsContact O-CG2 3.26Å; V211-V215 WeakPolarHBondContact O-CG2 3.28Å; V211-V215 PolarHBondContact O-N 3.33Å; I212-V215 PolarHBondContact O-N 3.37Å; V215-L218 PolarHBondContact O-N 2.92Å; V215-G219 PolarHBondContact O-N 3.48Å
216Q95.5Very high94.2Very high14 Ų1457.1 Ų57.17%0.06534%0.337CS..Hα-helixtrans-65.3-44.8178.4-170.4170.627.100112.2L90 I93 E97 I212 L213 V214 L218 G219 M220L90-Q216 HydrophobicContact CB-CG 4.34Å; L90-Q216 HydrophobicContact CD2-CG 4.3Å; L90-Q216 PolarHBondContact O-NE2 2.93Å; I93-Q216 VanDerWaalsContact CB-NE2 3.34Å; I93-Q216 VanDerWaalsContact CG2-NE2 3.26Å; E97-Q216 PolarHBondContact OE2-OE1 2.9Å; I212-Q216 WeakPolarHBondContact O-CB 3.38Å; I212-Q216 PolarHBondContact O-N 3.49Å; L213-Q216 PolarHBondContact O-N 2.83Å; V214-Q216 VanDerWaalsContact C-N 3.3Å; V214-Q216 PolarHBondContact O-N 3.39Å; Q216-L218 VanDerWaalsContact C-N 3.34Å; Q216-L218 PolarHBondContact O-N 3.18Å; Q216-G219 PolarHBondContact O-N 2.85Å; Q216-M220 WeakPolarHBondContact O-CG 2.89Å; Q216-M220 PolarHBondContact O-N 3.39Å
217L96.3Very high94.1Very high84 Ų8457.4 Ų57.444%0.4433%0.326SS..Hα-helixtrans-59.9-43.6174.9-69.8176.6000111.7L94 L213 V214 M220 A221L94-L217 HydrophobicContact CD2-CD2 4.19Å; L213-L217 HydrophobicContact CG-CD1 4.37Å; L213-L217 WeakPolarHBondContact O-CG 3.27Å; L213-L217 PolarHBondContact O-N 3.46Å; V214-L217 PolarHBondContact O-N 3.18Å; L217-M220 HydrophobicContact CD2-CE 3.61Å; L217-M220 PolarHBondContact O-N 3.23Å; L217-A221 WeakPolarHBondContact O-CB 3.46Å; L217-A221 PolarHBondContact O-N 3.43Å
218L94.5Very high93.8Very high83 Ų8357.6 Ų57.644%0.43532%0.321SS..Hα-helixtrans-63.3-43.5175.5-71.4175000111.7V214 V215 Q216 M220 A221 F222V214-L218 HydrophobicContact CG1-CD1 4Å; V214-L218 HydrophobicContact CG1-CG 4.39Å; V214-L218 WeakPolarHBondContact O-CB 2.93Å; V214-L218 VanDerWaalsContact O-CG 3.32Å; V214-L218 WeakPolarHBondContact O-CG 3.22Å; V214-L218 PolarHBondContact O-N 2.72Å; V215-L218 PolarHBondContact O-N 2.92Å; Q216-L218 VanDerWaalsContact C-N 3.34Å; Q216-L218 PolarHBondContact O-N 3.18Å; L218-M220 VanDerWaalsContact C-N 3.33Å; L218-M220 PolarHBondContact O-N 2.99Å; L218-A221 PolarHBondContact O-N 3.41Å; L218-F222 HydrophobicContact CB-CE2 4.36Å; L218-F222 HydrophobicContact CD2-CZ 4.33Å; L218-F222 WeakPolarHBondContact O-CB 3.36Å; L218-F222 WeakPolarHBondContact O-CD2 3.23Å; L218-F222 VanDerWaalsContact O-CG 3.22Å; L218-F222 WeakPolarHBondContact O-CG 3.3Å; L218-F222 PolarHBondContact O-N 3.47Å
219G94.2Very high93.5Very high13 Ų1357.1 Ų57.113%0.13432%0.317CS..Hα-helixtrans-58.1-44175.900000112.4V215 Q216 S223V215-G219 PolarHBondContact O-N 3.48Å; Q216-G219 PolarHBondContact O-N 2.85Å; G219-S223 WeakPolarHBondContact O-CB 3.27Å; G219-S223 PolarHBondContact O-N 3.49Å
220M95.9Very high93.2Very high15 Ų1555.9 Ų55.97%0.07430%0.301CS..Hα-helixtrans-65.1-45.7175.4-72-168.1-64.700112.5F87 L90 L91 L94 Q216 L217 L218 F222 S223 M224F87-M220 HydrophobicContact CD2-CB 3.83Å; F87-M220 HydrophobicContact CD2-CG 4Å; F87-M220 HydrophobicContact CE2-CB 3.84Å; F87-M220 HydrophobicContact CE2-CG 4.15Å; F87-M220 HydrophobicContact CE2-SD 4.21Å; L90-M220 HydrophobicContact CB-CG 3.66Å; L90-M220 HydrophobicContact CB-SD 4.2Å; L90-M220 HydrophobicContact CD1-CG 3.89Å; L90-M220 HydrophobicContact CG-CG 4.47Å; L91-M220 HydrophobicContact CB-SD 4.23Å; L91-M220 HydrophobicContact CD1-SD 4.44Å; L94-M220 HydrophobicContact CD2-CE 3.64Å; Q216-M220 WeakPolarHBondContact O-CG 2.89Å; Q216-M220 PolarHBondContact O-N 3.39Å; L217-M220 HydrophobicContact CD2-CE 3.61Å; L217-M220 PolarHBondContact O-N 3.23Å; L218-M220 VanDerWaalsContact C-N 3.33Å; L218-M220 PolarHBondContact O-N 2.99Å; M220-F222 PolarHBondContact O-N 3Å; M220-S223 PolarHBondContact O-N 3.31Å; M220-M224 PolarHBondContact O-N 2.68Å
221A94.4Very high92.8Very high48 Ų4853.3 Ų53.340%0.39729%0.288SS..Hα-helixtrans-61.5-44.3178.500000111.8L217 L218 T225L217-A221 WeakPolarHBondContact O-CB 3.46Å; L217-A221 PolarHBondContact O-N 3.43Å; L218-A221 PolarHBondContact O-N 3.41Å; A221-T225 WeakPolarHBondContact O-CB 3.48Å; A221-T225 PolarHBondContact O-N 3.46Å; A221-T225 PolarHBondContact O-OG1 3.18Å
222F92.6Very high92.3Very high63 Ų6357 Ų5728%0.27629%0.292SS..Hα-helixtrans-66.5-42177.4-65.7-16.8000112L9 M13 L218 M220 M224 T225 L226L9-F222 HydrophobicContact CD2-CD1 3.9Å; L9-F222 HydrophobicContact CD2-CE1 3.67Å; L9-F222 HydrophobicContact CD2-CG 4.46Å; L9-F222 HydrophobicContact CD2-CZ 4.05Å; M13-F222 HydrophobicContact SD-CB 4.34Å; L218-F222 HydrophobicContact CB-CE2 4.36Å; L218-F222 HydrophobicContact CD2-CZ 4.33Å; L218-F222 WeakPolarHBondContact O-CB 3.36Å; L218-F222 WeakPolarHBondContact O-CD2 3.23Å; L218-F222 VanDerWaalsContact O-CG 3.22Å; L218-F222 WeakPolarHBondContact O-CG 3.3Å; L218-F222 PolarHBondContact O-N 3.47Å; M220-F222 PolarHBondContact O-N 3Å; F222-M224 PolarHBondContact O-N 3.13Å; F222-T225 PolarHBondContact O-N 3.05Å; F222-L226 WeakPolarHBondContact O-CB 3.07Å; F222-L226 PolarHBondContact O-N 3.29Å
223S92.9Very high91.7Very high0 Ų055.5 Ų55.50%029%0.287CS..Hα-helixtrans-58.7-48.7176-1710000111.9L83 G219 M220 T225 L226 F227L83-S223 PolarHBondContact O-OG 3.48Å; G219-S223 WeakPolarHBondContact O-CB 3.27Å; G219-S223 PolarHBondContact O-N 3.49Å; M220-S223 PolarHBondContact O-N 3.31Å; S223-T225 PolarHBondContact O-N 3.2Å; S223-L226 PolarHBondContact O-N 2.8Å; S223-F227 VanDerWaalsContact O-CB 3.3Å; S223-F227 WeakPolarHBondContact O-CB 3.45Å; S223-F227 PolarHBondContact O-N 3.4Å
224M93.3Very high90.7Very high82 Ų8254 Ų5440%0.40428%0.284SS..Hα-helixtrans-66.9-38.2179.4-75.4-62-77.100112.8F87 M220 F222 L226 F227 H228F87-M224 HydrophobicContact CD1-SD 4.42Å; F87-M224 HydrophobicContact CD2-CG 3.5Å; F87-M224 HydrophobicContact CD2-SD 4.12Å; F87-M224 HydrophobicContact CE2-CG 3.52Å; F87-M224 HydrophobicContact CE2-SD 4.28Å; F87-M224 HydrophobicContact CG-CG 4.17Å; F87-M224 HydrophobicContact CG-SD 4.2Å; F87-M224 HydrophobicContact CZ-CG 4.21Å; M220-M224 PolarHBondContact O-N 2.68Å; F222-M224 PolarHBondContact O-N 3.13Å; M224-L226 VanDerWaalsContact C-N 3.35Å; M224-F227 PolarHBondContact O-N 3.27Å; M224-H228 WeakPolarHBondContact O-CB 3.29Å; M224-H228 PolarHBondContact O-N 3.41Å
225T91.5Very high89.4Confident72 Ų7256.9 Ų56.944%0.44229%0.29SS..Hα-helixtrans-61.9-44.8175.9-58.20000111A221 F222 S223 H229A221-T225 WeakPolarHBondContact O-CB 3.48Å; A221-T225 PolarHBondContact O-N 3.46Å; A221-T225 PolarHBondContact O-OG1 3.18Å; F222-T225 PolarHBondContact O-N 3.05Å; S223-T225 PolarHBondContact O-N 3.2Å; T225-H229 PolarHBondContact O-N 2.76Å; T225-H229 VanDerWaalsContact O-N 3.15Å
226L89.7Confident88Confident12 Ų1262.2 Ų62.26%0.06331%0.309CS..Hα-helixtrans-69.5-42.5178.8-16864.3000111.5M13 A75 L83 F222 S223 M224 H228 H229 I230M13-L226 HydrophobicContact SD-CD2 4.24Å; A75-L226 HydrophobicContact CB-CD2 4.37Å; L83-L226 HydrophobicContact CD1-CB 4.28Å; L83-L226 HydrophobicContact CD1-CD2 3.94Å; L83-L226 HydrophobicContact CD1-CG 3.99Å; L83-L226 HydrophobicContact CD2-CD2 4.01Å; F222-L226 WeakPolarHBondContact O-CB 3.07Å; F222-L226 PolarHBondContact O-N 3.29Å; S223-L226 PolarHBondContact O-N 2.8Å; M224-L226 VanDerWaalsContact C-N 3.35Å; L226-H228 PolarHBondContact O-N 3.47Å; L226-H229 PolarHBondContact O-N 3.08Å; L226-I230 HydrophobicContact CD1-CD1 4.38Å; L226-I230 HydrophobicContact CG-CD1 3.85Å; L226-I230 WeakPolarHBondContact O-CD1 3.38Å; L226-I230 VanDerWaalsContact O-CG1 3.24Å; L226-I230 WeakPolarHBondContact O-CG1 3.43Å; L226-I230 PolarHBondContact O-N 3.03Å
227F91.2Very high86.2Confident46 Ų4671.3 Ų71.320%0.20234%0.344CS..Hα-helixtrans-56.4-49.8175176.4-88000111.8K80 L84 S223 M224 H229 I230 H231K80-F227 HydrophobicContact CB-CD2 4.02Å; K80-F227 HydrophobicContact CB-CE2 3.75Å; K80-F227 HydrophobicContact CG-CD2 4.46Å; K80-F227 HydrophobicContact CG-CE2 4.37Å; K80-F227 WeakPolarHBondContact O-CD2 3.41Å; L84-F227 HydrophobicContact CB-CD2 4.45Å; L84-F227 HydrophobicContact CB-CE2 4.23Å; S223-F227 VanDerWaalsContact O-CB 3.3Å; S223-F227 WeakPolarHBondContact O-CB 3.45Å; S223-F227 PolarHBondContact O-N 3.4Å; M224-F227 PolarHBondContact O-N 3.27Å; F227-H229 VanDerWaalsContact C-N 3.31Å; F227-H229 PolarHBondContact O-N 3.32Å; F227-I230 PolarHBondContact O-N 2.98Å; F227-H231 WeakPolarHBondContact O-CB 3.36Å; F227-H231 PolarHBondContact O-N 3.25Å
228H89.7Confident84.4Confident90 Ų9074.2 Ų74.242%0.41736%0.36SS..Hα-helixtrans-63.6-39.2-179-171.661.4000112M224 L226 H231 R232M224-H228 WeakPolarHBondContact O-CB 3.29Å; M224-H228 PolarHBondContact O-N 3.41Å; L226-H228 PolarHBondContact O-N 3.47Å; H228-H231 PolarHBondContact O-N 3.08Å; H228-R232 PolarHBondContact CE1-NE 2.95Å; H228-R232 PolarHBondContact NE2-NE 2.81Å; H228-R232 PolarHBondContact NE2-NH2 3.23Å; H228-R232 VanDerWaalsContact NE2-NH2 3.12Å; H228-R232 WeakPolarHBondContact O-CB 3.29Å; H228-R232 WeakPolarHBondContact O-CG 3.49Å; H228-R232 PolarHBondContact O-N 3.34Å
229H87.7Confident82.3Confident76 Ų7676.9 Ų76.935%0.35239%0.394SS..Hα-helixtrans-61.9-50.9174.7176.4-96.1000111.9L6 T225 L226 F227 H231 R232 T233L6-H229 HydrophobicContact CD2-CB 3.65Å; L6-H229 WeakPolarHBondContact CD2-CD2 3.5Å; L6-H229 VanDerWaalsContact CD2-CE1 3.49Å; L6-H229 WeakPolarHBondContact CD2-CE1 3.5Å; L6-H229 VanDerWaalsContact CD2-ND1 3.27Å; L6-H229 WeakPolarHBondContact CD2-ND1 3.43Å; L6-H229 WeakPolarHBondContact CD2-NE2 3.41Å; T225-H229 PolarHBondContact O-N 2.76Å; T225-H229 VanDerWaalsContact O-N 3.15Å; L226-H229 PolarHBondContact O-N 3.08Å; F227-H229 VanDerWaalsContact C-N 3.31Å; F227-H229 PolarHBondContact O-N 3.32Å; H229-H231 VanDerWaalsContact C-N 3.26Å; H229-H231 PolarHBondContact O-N 3.22Å; H229-R232 PolarHBondContact O-N 3.29Å; H229-T233 PolarHBondContact O-N 3.18Å; H229-T233 PolarHBondContact O-OG1 3.01Å
230I87.2Confident81.7Confident13 Ų1380.1 Ų80.17%0.06741%0.407CS..Hα-helixtrans-62.8-35.5179.4-61.3161.3000110.7E78 K80 L83 L226 F227 T233 G234E78-I230 HydrophobicContact CB-CD1 3.7Å; E78-I230 HydrophobicContact CB-CG1 4.18Å; E78-I230 HydrophobicContact CG-CD1 4.16Å; K80-I230 HydrophobicContact CD-CG2 4.37Å; K80-I230 WeakPolarHBondContact CE-O 3.42Å; K80-I230 HydrophobicContact CG-CB 4.41Å; K80-I230 HydrophobicContact CG-CG2 3.82Å; L83-I230 HydrophobicContact CD1-CD1 3.51Å; L226-I230 HydrophobicContact CD1-CD1 4.38Å; L226-I230 HydrophobicContact CG-CD1 3.85Å; L226-I230 WeakPolarHBondContact O-CD1 3.38Å; L226-I230 VanDerWaalsContact O-CG1 3.24Å; L226-I230 WeakPolarHBondContact O-CG1 3.43Å; L226-I230 PolarHBondContact O-N 3.03Å; F227-I230 PolarHBondContact O-N 2.98Å; I230-T233 WeakPolarHBondContact CA-OG1 3.26Å; I230-T233 PolarHBondContact O-OG1 3.11Å; I230-T233 VanDerWaalsContact O-OG1 3.11Å; I230-G234 PolarHBondContact O-N 3.26Å
231H87.4Confident81Confident61 Ų6183.5 Ų83.528%0.28242%0.424SS..Hα-helixtrans-64.9-44.9175-173.485.5000112.2F227 H228 H229 K235F227-H231 WeakPolarHBondContact O-CB 3.36Å; F227-H231 PolarHBondContact O-N 3.25Å; H228-H231 PolarHBondContact O-N 3.08Å; H229-H231 VanDerWaalsContact C-N 3.26Å; H229-H231 PolarHBondContact O-N 3.22Å; H231-K235 WeakPolarHBondContact NE2-CE 3.43Å; H231-K235 PolarHBondContact NE2-NZ 2.86Å; H231-K235 PolarHBondContact O-N 2.99Å
232R85.1Confident80.3Confident160 Ų16085.4 Ų85.460%0.60443%0.426SS*.Hα-helixtrans-67.4-38.4177.6-77.7-175.5170.6179.31.7113.1H228 H229H228-R232 PolarHBondContact CE1-NE 2.95Å; H228-R232 PolarHBondContact NE2-NE 2.81Å; H228-R232 PolarHBondContact NE2-NH2 3.23Å; H228-R232 VanDerWaalsContact NE2-NH2 3.12Å; H228-R232 WeakPolarHBondContact O-CB 3.29Å; H228-R232 WeakPolarHBondContact O-CG 3.49Å; H228-R232 PolarHBondContact O-N 3.34Å; H229-R232 PolarHBondContact O-N 3.29Å
233T80.7Confident79.5Confident50 Ų5086.8 Ų86.831%0.30743%0.434SS..Hα-helixtrans-69-40.6176.449.10000111.5H229 I230 K235 K236 Y237H229-T233 PolarHBondContact O-N 3.18Å; H229-T233 PolarHBondContact O-OG1 3.01Å; I230-T233 WeakPolarHBondContact CA-OG1 3.26Å; I230-T233 PolarHBondContact O-OG1 3.11Å; I230-T233 VanDerWaalsContact O-OG1 3.11Å; T233-K235 PolarHBondContact O-N 3.11Å; T233-K236 WeakPolarHBondContact O-CB 3.3Å; T233-K236 PolarHBondContact O-N 3.31Å; T233-K236 VanDerWaalsContact O-N 3.14Å; T233-Y237 VanDerWaalsContact O-CD2 3.32Å; T233-Y237 WeakPolarHBondContact O-CD2 3.45Å
234G74.6Confident78.7Confident19 Ų1992.2 Ų92.220%0.19646%0.462CS..Hα-helixtrans-57.7-47.9175.300000112.9I230 K236 Y237 D238I230-G234 PolarHBondContact O-N 3.26Å; G234-K236 PolarHBondContact O-N 2.86Å; G234-K236 VanDerWaalsContact O-N 3.08Å; G234-Y237 PolarHBondContact O-N 3.49Å; G234-D238 PolarHBondContact O-N 3.43Å
235K68.7Low77.7Confident132 Ų13292.9 Ų92.957%0.57447%0.465SS*.Hα-helixtrans-59.4-22.3176.9-83.1-178.3167.7165.90114.8H231 T233H231-K235 WeakPolarHBondContact NE2-CE 3.43Å; H231-K235 PolarHBondContact NE2-NZ 2.86Å; H231-K235 PolarHBondContact O-N 2.99Å; T233-K235 PolarHBondContact O-N 3.11Å
236K65.1Low76.7Confident173 Ų17394.4 Ų94.475%0.75247%0.467SS*.Hα-helixtrans-80.6-18.7176.2-82.2-171.7174.8-1720113.9T233 G234T233-K236 WeakPolarHBondContact O-CB 3.3Å; T233-K236 PolarHBondContact O-N 3.31Å; T233-K236 VanDerWaalsContact O-N 3.14Å; G234-K236 PolarHBondContact O-N 2.86Å; G234-K236 VanDerWaalsContact O-N 3.08Å
237Y58.4Low75.7Confident205 Ų205100.7 Ų100.780%0.80450%0.498SS*.Hα-helixtrans-91.3-23.6176.3-77.1-80.9000112.3T233 G234T233-Y237 VanDerWaalsContact O-CD2 3.32Å; T233-Y237 WeakPolarHBondContact O-CD2 3.45Å; G234-Y237 PolarHBondContact O-N 3.49Å
238D56.8Low74.4Confident146 Ų146105.3 Ų105.378%0.78152%0.523SS*.  trans-88.1-3.1178.5-58.1-34.8000113.5G234G234-D238 PolarHBondContact O-N 3.43Å
239A52Low73.1Confident138 Ų138106.6 Ų106.6100%1.14153%0.533SS*.  trans-1140-179.100000110.7

Retrieved 239 of 239 residues in 116.3 ms (Link to these results)

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