A0A087XRL7_POEFO Loading...

Microsomal glutathione S-transferase 1

Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles.

AlphaFold DB , UniProt , Accession A0A087XRL7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 155 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
1S56Low63.7Low142 Ų142105.6 Ų105.699%0.99358%0.577SS**  0-34.8047.50000112.5A5S1-A5 PolarHBondContact O-N 3.38Å
2V57.3Low65.3Low111 Ų11197.4 Ų97.467%0.67353%0.533SS*.Hα-helixtrans-66.4-37.2-179.7-176.80000113.5A5 T6V2-A5 WeakPolarHBondContact O-CB 3.41Å; V2-A5 PolarHBondContact O-N 3.16Å; V2-T6 PolarHBondContact O-N 3.24Å; V2-T6 VanDerWaalsContact O-N 3.16Å
3E61.3Low66.8Low159 Ų15992.3 Ų92.374%0.74350%0.502SS*.Hα-helixtrans-72.5-28.2179.4-71.5173.5149.200114.8A5 T6 L7E3-A5 VanDerWaalsContact C-N 3.33Å; E3-T6 WeakPolarHBondContact CA-OG1 3.41Å; E3-T6 PolarHBondContact O-OG1 3.19Å; E3-L7 PolarHBondContact O-N 2.87Å
4M61Low68.1Low124 Ų12494.2 Ų94.261%0.61150%0.503SS*.Hα-helixtrans-74.2-31.3171.8-77.1-66.4154.500111L7 M8M4-L7 HydrophobicContact CE-CD1 4.07Å; M4-L7 PolarHBondContact O-N 3.2Å; M4-L7 HydrophobicContact SD-CD1 4.01Å; M4-M8 WeakPolarHBondContact O-CB 3.46Å; M4-M8 WeakPolarHBondContact O-CG 3.45Å; M4-M8 PolarHBondContact O-N 3.29Å
5A60.9Low69.4Low54 Ų5488.9 Ų88.945%0.44648%0.477SS..Hα-helixtrans-65.2-41.4174.600000111.1S1 V2 E3 M8 E9S1-A5 PolarHBondContact O-N 3.38Å; V2-A5 WeakPolarHBondContact O-CB 3.41Å; V2-A5 PolarHBondContact O-N 3.16Å; E3-A5 VanDerWaalsContact C-N 3.33Å; A5-M8 PolarHBondContact O-N 3.19Å; A5-E9 PolarHBondContact O-N 3.45Å
6T61.8Low70.6Confident77 Ų7783.6 Ų83.647%0.47245%0.449SS..Hα-helixtrans-68.2-35.2176.453.70000113V2 E3 M8 E9V2-T6 PolarHBondContact O-N 3.24Å; V2-T6 VanDerWaalsContact O-N 3.16Å; E3-T6 WeakPolarHBondContact CA-OG1 3.41Å; E3-T6 PolarHBondContact O-OG1 3.19Å; T6-M8 VanDerWaalsContact C-N 3.29Å; T6-M8 PolarHBondContact O-N 3.07Å; T6-E9 WeakPolarHBondContact O-CB 3.18Å; T6-E9 PolarHBondContact O-N 3.46Å
7L62.1Low71.6Confident60 Ų6080.7 Ų80.731%0.31444%0.439SS..Hα-helixtrans-64.8-33.6171.3-80.1165000112.6E3 M4 E9 N10 F13 L95E3-L7 PolarHBondContact O-N 2.87Å; M4-L7 HydrophobicContact CE-CD1 4.07Å; M4-L7 PolarHBondContact O-N 3.2Å; M4-L7 HydrophobicContact SD-CD1 4.01Å; L7-E9 VanDerWaalsContact C-N 3.29Å; L7-E9 PolarHBondContact O-N 3.11Å; L7-N10 WeakPolarHBondContact O-CB 3.35Å; L7-N10 PolarHBondContact O-N 3.48Å; L7-F13 HydrophobicContact CB-CD1 4.25Å; L7-F13 HydrophobicContact CB-CE1 4.23Å; L7-F13 WeakPolarHBondContact O-CD1 3.06Å; L7-L95 HydrophobicContact CD2-CD2 4.06Å
8M61.7Low72.6Confident88 Ų8879.7 Ų79.743%0.43344%0.439SS..Hα-helixtrans-77.1-12177.8-70.5-68.4-69.800113.9M4 A5 T6 N10 F13 K14M4-M8 WeakPolarHBondContact O-CB 3.46Å; M4-M8 WeakPolarHBondContact O-CG 3.45Å; M4-M8 PolarHBondContact O-N 3.29Å; A5-M8 PolarHBondContact O-N 3.19Å; T6-M8 VanDerWaalsContact C-N 3.29Å; T6-M8 PolarHBondContact O-N 3.07Å; M8-N10 VanDerWaalsContact C-N 3.29Å; M8-F13 HydrophobicContact SD-CD1 3.96Å; M8-F13 HydrophobicContact SD-CE1 3.92Å; M8-K14 HydrophobicContact CE-CG 4.21Å
9E62.5Low73.5Confident152 Ų15277.9 Ų77.971%0.7143%0.425SS*.Hα-helixtrans-72.7-24.4168.7-70176.4174.700111.8A5 T6 L7 E11A5-E9 PolarHBondContact O-N 3.45Å; T6-E9 WeakPolarHBondContact O-CB 3.18Å; T6-E9 PolarHBondContact O-N 3.46Å; L7-E9 VanDerWaalsContact C-N 3.29Å; L7-E9 PolarHBondContact O-N 3.11Å; E9-E11 PolarHBondContact O-N 3.29Å; E9-E11 VanDerWaalsContact O-N 3.11Å
10N74.5Confident74.4Confident64 Ų6474.3 Ų74.334%0.34241%0.406SS..SBendtrans-72.1107.9173-171.9-26.8000109.6L7 M8 V12 F13 K14L7-N10 WeakPolarHBondContact O-CB 3.35Å; L7-N10 PolarHBondContact O-N 3.48Å; M8-N10 VanDerWaalsContact C-N 3.29Å; N10-V12 PolarHBondContact O-N 2.98Å; N10-V12 VanDerWaalsContact O-N 3.09Å; N10-V12 VanDerWaalsContact OD1-CB 3.26Å; N10-V12 WeakPolarHBondContact OD1-CB 3.48Å; N10-V12 WeakPolarHBondContact OD1-CG2 3.33Å; N10-V12 PolarHBondContact OD1-N 3.01Å; N10-F13 HydrophobicContact CB-CB 4.07Å; N10-F13 PolarHBondContact O-N 3.09Å; N10-K14 PolarHBondContact O-N 2.99Å
11E81.4Confident75.1Confident131 Ų13173.6 Ų73.661%0.61241%0.41SS*.Hα-helixtrans-55.1-31.3-178.7-62.1-167.9159.500112.7E9 A15 L100E9-E11 PolarHBondContact O-N 3.29Å; E9-E11 VanDerWaalsContact O-N 3.11Å; E11-A15 WeakPolarHBondContact O-CB 3.26Å; E11-A15 PolarHBondContact O-N 2.98Å; E11-L100 HydrophobicContact CB-CD1 3.79Å; E11-L100 HydrophobicContact CB-CD2 4.1Å; E11-L100 WeakPolarHBondContact OE2-CD2 3.47Å
12V83.1Confident76.8Confident7 Ų770.6 Ų70.64%0.04238%0.382CS..Hα-helixtrans-67.8-46.1176.9-173.80000110.8N10 A15 F16 A94 P98 L100 A103 F107N10-V12 PolarHBondContact O-N 2.98Å; N10-V12 VanDerWaalsContact O-N 3.09Å; N10-V12 VanDerWaalsContact OD1-CB 3.26Å; N10-V12 WeakPolarHBondContact OD1-CB 3.48Å; N10-V12 WeakPolarHBondContact OD1-CG2 3.33Å; N10-V12 PolarHBondContact OD1-N 3.01Å; V12-A15 PolarHBondContact O-N 3.42Å; V12-F16 WeakPolarHBondContact O-CB 3.47Å; V12-F16 PolarHBondContact O-N 3.06Å; V12-A94 HydrophobicContact CG1-CB 4.23Å; V12-P98 HydrophobicContact CG1-CG 4.04Å; V12-L100 HydrophobicContact CB-CD1 4.39Å; V12-L100 HydrophobicContact CG2-CB 4.23Å; V12-L100 HydrophobicContact CG2-CD1 3.79Å; V12-A103 HydrophobicContact CG1-CB 3.75Å; V12-F107 HydrophobicContact CG1-CE2 4.41Å
13F84.2Confident78.4Confident31 Ų3165.4 Ų65.414%0.13635%0.351CS..Hα-helixtrans-66.6-42.4179.7-176.2-97.7000111.2L7 M8 N10 A15 F16 A17 L91 A94L7-F13 HydrophobicContact CB-CD1 4.25Å; L7-F13 HydrophobicContact CB-CE1 4.23Å; L7-F13 WeakPolarHBondContact O-CD1 3.06Å; M8-F13 HydrophobicContact SD-CD1 3.96Å; M8-F13 HydrophobicContact SD-CE1 3.92Å; N10-F13 HydrophobicContact CB-CB 4.07Å; N10-F13 PolarHBondContact O-N 3.09Å; F13-A15 VanDerWaalsContact C-N 3.34Å; F13-A15 PolarHBondContact O-N 3.14Å; F13-F16 PolarHBondContact O-N 3.05Å; F13-A17 WeakPolarHBondContact O-CB 3.45Å; F13-A17 PolarHBondContact O-N 3.23Å; F13-L91 HydrophobicContact CE2-CD1 3.83Å; F13-A94 HydrophobicContact CD2-CB 4.39Å
14K86.1Confident79.7Confident119 Ų11959.9 Ų59.952%0.51733%0.328SS..Hα-helixtrans-60-43.9174.5-175178.5179.3-1800111.8M8 N10 S18M8-K14 HydrophobicContact CE-CG 4.21Å; N10-K14 PolarHBondContact O-N 2.99Å; K14-S18 WeakPolarHBondContact O-CB 3.41Å; K14-S18 PolarHBondContact O-N 3.49Å; K14-S18 VanDerWaalsContact O-N 3.1Å; K14-S18 PolarHBondContact O-OG 2.73Å
15A86.8Confident81.1Confident14 Ų1458.9 Ų58.912%0.11633%0.325CS..Hα-helixtrans-62.6-48.917500000111.3E11 V12 F13 A17 S18 Y19 L104 F107E11-A15 WeakPolarHBondContact O-CB 3.26Å; E11-A15 PolarHBondContact O-N 2.98Å; V12-A15 PolarHBondContact O-N 3.42Å; F13-A15 VanDerWaalsContact C-N 3.34Å; F13-A15 PolarHBondContact O-N 3.14Å; A15-A17 PolarHBondContact O-N 3.2Å; A15-S18 WeakPolarHBondContact O-CB 3.37Å; A15-S18 PolarHBondContact O-N 3.38Å; A15-Y19 WeakPolarHBondContact O-CD2 3.35Å; A15-Y19 PolarHBondContact O-N 3.28Å; A15-L104 HydrophobicContact CB-CD2 3.54Å; A15-F107 HydrophobicContact CB-CD2 4.41Å
16F88.6Confident82.5Confident5 Ų557.6 Ų57.62%0.02231%0.309CS..Hα-helixtrans-55.4-51.9177171.7-106.3000111.6V12 F13 S18 Y19 A20 F86 F87 L91 A94 F107V12-F16 WeakPolarHBondContact O-CB 3.47Å; V12-F16 PolarHBondContact O-N 3.06Å; F13-F16 PolarHBondContact O-N 3.05Å; F16-S18 VanDerWaalsContact C-N 3.26Å; F16-S18 PolarHBondContact O-N 2.86Å; F16-Y19 PolarHBondContact O-N 3.28Å; F16-A20 HydrophobicContact CE1-CB 4.38Å; F16-A20 HydrophobicContact CE2-CB 4.24Å; F16-A20 HydrophobicContact CZ-CB 4.11Å; F16-A20 WeakPolarHBondContact O-CB 2.96Å; F16-A20 PolarHBondContact O-N 2.93Å; F16-F86 HydrophobicContact CE2-CE1 4.12Å; F16-F86 HydrophobicContact CE2-CZ 4.49Å; F16-F87 HydrophobicContact CZ-CD2 4.3Å; F16-F87 WeakPolarHBondContact CZ-O 2.92Å; F16-L91 HydrophobicContact CE1-CB 3.83Å; F16-L91 HydrophobicContact CE1-CD1 3.97Å; F16-L91 HydrophobicContact CZ-CB 3.91Å; F16-L91 VanDerWaalsContact CZ-N 3.28Å; F16-A94 HydrophobicContact CB-CB 4.07Å; F16-A94 HydrophobicContact CD1-CB 4.41Å; F16-A94 HydrophobicContact CG-CB 4.23Å; F16-F107 HydrophobicContact CB-CD2 4.36Å; F16-F107 HydrophobicContact CB-CE1 4.45Å; F16-F107 HydrophobicContact CB-CE2 3.64Å; F16-F107 HydrophobicContact CB-CZ 3.7Å; F16-F107 HydrophobicContact CD2-CD1 4.29Å; F16-F107 AromaticContact CD2-CE1 3.7Å; F16-F107 HydrophobicContact CD2-CE1 3.7Å; F16-F107 HydrophobicContact CD2-CE2 4.4Å; F16-F107 AromaticContact CD2-CZ 3.77Å; F16-F107 HydrophobicContact CD2-CZ 3.77Å; F16-F107 HydrophobicContact CG-CZ 4.15Å
17A87.9Confident83.8Confident34 Ų3455.4 Ų55.428%0.28129%0.294SS..Hα-helixtrans-57.4-40.1179.800000112F13 A15 A21F13-A17 WeakPolarHBondContact O-CB 3.45Å; F13-A17 PolarHBondContact O-N 3.23Å; A15-A17 PolarHBondContact O-N 3.2Å; A17-A21 VanDerWaalsContact O-CB 3.24Å; A17-A21 WeakPolarHBondContact O-CB 3.32Å; A17-A21 PolarHBondContact O-N 3.19Å
18S89.6Confident85.1Confident62 Ų6258.6 Ų58.643%0.43431%0.309SS..Hα-helixtrans-64.1-50.1177.7-54.20000111.7K14 A15 F16 A21 I22K14-S18 WeakPolarHBondContact O-CB 3.41Å; K14-S18 PolarHBondContact O-N 3.49Å; K14-S18 VanDerWaalsContact O-N 3.1Å; K14-S18 PolarHBondContact O-OG 2.73Å; A15-S18 WeakPolarHBondContact O-CB 3.37Å; A15-S18 PolarHBondContact O-N 3.38Å; F16-S18 VanDerWaalsContact C-N 3.26Å; F16-S18 PolarHBondContact O-N 2.86Å; S18-A21 PolarHBondContact O-N 2.86Å; S18-I22 VanDerWaalsContact O-CG1 3.3Å; S18-I22 WeakPolarHBondContact O-CG1 3.41Å; S18-I22 PolarHBondContact O-N 3.36Å; S18-I22 VanDerWaalsContact O-N 3.09Å
19Y90.6Very high86.4Confident47 Ų4759.2 Ų59.218%0.18431%0.313CS..Hα-helixtrans-70.3-38.6-179.8-72.2-68.5000112.4A15 F16 A21 I22 V23 L104 F107 R108 T111A15-Y19 WeakPolarHBondContact O-CD2 3.35Å; A15-Y19 PolarHBondContact O-N 3.28Å; F16-Y19 PolarHBondContact O-N 3.28Å; Y19-A21 VanDerWaalsContact C-N 3.34Å; Y19-A21 PolarHBondContact O-N 3.04Å; Y19-I22 HydrophobicContact CD1-CD1 4.37Å; Y19-I22 PolarHBondContact O-N 3.22Å; Y19-V23 WeakPolarHBondContact O-CG2 3.34Å; Y19-V23 PolarHBondContact O-N 3.22Å; Y19-L104 HydrophobicContact CE2-CD2 4.13Å; Y19-F107 HydrophobicContact CD2-CB 3.53Å; Y19-F107 HydrophobicContact CD2-CD2 4.27Å; Y19-F107 HydrophobicContact CD2-CG 4.31Å; Y19-F107 HydrophobicContact CE2-CB 4.2Å; Y19-F107 HydrophobicContact CG-CB 3.85Å; Y19-R108 HydrophobicContact CE1-CG 3.95Å; Y19-R108 HydrophobicContact CE2-CG 4.25Å; Y19-R108 VanDerWaalsContact OH-CG 3.26Å; Y19-R108 WeakPolarHBondContact OH-CG 3.38Å; Y19-R108 PolarHBondContact OH-NE 3.1Å; Y19-T111 HydrophobicContact CD1-CG2 4.33Å
20A89.8Confident87.5Confident5 Ų552.4 Ų52.44%0.04128%0.281CS..Hα-helixtrans-60.1-44.6173.600000111F16 I22 V23 T24 F87F16-A20 HydrophobicContact CE1-CB 4.38Å; F16-A20 HydrophobicContact CE2-CB 4.24Å; F16-A20 HydrophobicContact CZ-CB 4.11Å; F16-A20 WeakPolarHBondContact O-CB 2.96Å; F16-A20 PolarHBondContact O-N 2.93Å; A20-I22 PolarHBondContact O-N 3.46Å; A20-V23 PolarHBondContact O-N 2.83Å; A20-T24 VanDerWaalsContact O-CB 3.31Å; A20-T24 WeakPolarHBondContact O-CB 3.24Å; A20-T24 PolarHBondContact O-N 3.27Å; A20-T24 PolarHBondContact O-OG1 3.23Å; A20-F87 HydrophobicContact CB-CD2 3.98Å; A20-F87 HydrophobicContact CB-CE2 3.94Å
21A90.5Very high88.1Confident60 Ų6050.7 Ų50.750%0.49628%0.279SS..Hα-helixtrans-61.1-43.1175.400000112.4A17 S18 Y19 L25A17-A21 VanDerWaalsContact O-CB 3.24Å; A17-A21 WeakPolarHBondContact O-CB 3.32Å; A17-A21 PolarHBondContact O-N 3.19Å; S18-A21 PolarHBondContact O-N 2.86Å; Y19-A21 VanDerWaalsContact C-N 3.34Å; Y19-A21 PolarHBondContact O-N 3.04Å; A21-L25 WeakPolarHBondContact O-CB 3.48Å; A21-L25 PolarHBondContact O-N 3.45Å
22I91.7Very high88.4Confident78 Ų7848.2 Ų48.240%0.427%0.274SS..Hα-helixtrans-60.3-48.3177.4-69.3163.7000111S18 Y19 A20 L25 K26 T111S18-I22 VanDerWaalsContact O-CG1 3.3Å; S18-I22 WeakPolarHBondContact O-CG1 3.41Å; S18-I22 PolarHBondContact O-N 3.36Å; S18-I22 VanDerWaalsContact O-N 3.09Å; Y19-I22 HydrophobicContact CD1-CD1 4.37Å; Y19-I22 PolarHBondContact O-N 3.22Å; A20-I22 PolarHBondContact O-N 3.46Å; I22-L25 PolarHBondContact O-N 3.3Å; I22-K26 WeakPolarHBondContact O-CB 3.1Å; I22-K26 PolarHBondContact O-N 3.41Å; I22-T111 HydrophobicContact CG2-CG2 4Å
23V90.2Very high88.5Confident2 Ų250.1 Ų50.11%0.01229%0.286CS..Hα-helixtrans-69.7-40.1-176.7174.70000111.3Y19 A20 K26 M27 I83 F110 T111Y19-V23 WeakPolarHBondContact O-CG2 3.34Å; Y19-V23 PolarHBondContact O-N 3.22Å; A20-V23 PolarHBondContact O-N 2.83Å; V23-K26 PolarHBondContact O-N 2.86Å; V23-M27 PolarHBondContact O-N 2.8Å; V23-I83 HydrophobicContact CG1-CB 4.2Å; V23-I83 HydrophobicContact CG1-CD1 3.39Å; V23-I83 HydrophobicContact CG1-CG1 3.41Å; V23-I83 VanDerWaalsContact CG1-CG1 3.41Å; V23-I83 HydrophobicContact CG1-CG2 3.78Å; V23-F110 HydrophobicContact CG1-CE1 4.12Å; V23-F110 HydrophobicContact CG2-CE1 4.49Å; V23-T111 HydrophobicContact CG2-CG2 3.72Å
24T89.4Confident88.6Confident43 Ų4349.2 Ų49.226%0.26428%0.283SS..Hα-helixtrans-65.3-43.7174.2-63.60000111.4A20 K26 M27 M28A20-T24 VanDerWaalsContact O-CB 3.31Å; A20-T24 WeakPolarHBondContact O-CB 3.24Å; A20-T24 PolarHBondContact O-N 3.27Å; A20-T24 PolarHBondContact O-OG1 3.23Å; T24-K26 VanDerWaalsContact C-N 3.3Å; T24-K26 PolarHBondContact O-N 3.12Å; T24-M27 WeakPolarHBondContact O-CA 3.47Å; T24-M27 WeakPolarHBondContact O-CB 3.32Å; T24-M27 PolarHBondContact O-N 3.06Å; T24-M28 HydrophobicContact CG2-SD 4.45Å; T24-M28 WeakPolarHBondContact O-CG 3.16Å; T24-M28 PolarHBondContact O-N 3.42Å
25L90.8Very high88.6Confident103 Ų10346.8 Ų46.854%0.53928%0.278SS..Hα-helixtrans-58.8-45.1175.3179.865.2000110.7A21 I22 M27 M28 L29A21-L25 WeakPolarHBondContact O-CB 3.48Å; A21-L25 PolarHBondContact O-N 3.45Å; I22-L25 PolarHBondContact O-N 3.3Å; L25-M27 VanDerWaalsContact C-N 3.28Å; L25-M27 PolarHBondContact O-N 2.9Å; L25-M28 WeakPolarHBondContact O-CB 3.46Å; L25-M28 PolarHBondContact O-N 2.92Å; L25-M28 VanDerWaalsContact O-N 3.16Å; L25-L29 WeakPolarHBondContact O-CG 3.48Å; L25-L29 PolarHBondContact O-N 3.22Å
26K89.5Confident88.6Confident27 Ų2753.4 Ų53.412%0.11730%0.301CS..Hα-helixtrans-58.9-40174.8174.6-91.2160.8-176.30111.9I22 V23 T24 L29 M30 D79 S118I22-K26 WeakPolarHBondContact O-CB 3.1Å; I22-K26 PolarHBondContact O-N 3.41Å; V23-K26 PolarHBondContact O-N 2.86Å; T24-K26 VanDerWaalsContact C-N 3.3Å; T24-K26 PolarHBondContact O-N 3.12Å; K26-L29 PolarHBondContact O-N 3.45Å; K26-M30 PolarHBondContact O-N 2.92Å; K26-D79 IonicContact NZ-OD1 2.56Å; K26-D79 PolarHBondContact NZ-OD1 3Å; K26-D79 IonicContact NZ-OD2 3.67Å; K26-D79 PolarHBondContact NZ-OD2 3.16Å; K26-S118 WeakPolarHBondContact CE-OG 3.26Å; K26-S118 PolarHBondContact NZ-OG 2.98Å
27M88.9Confident88.4Confident31 Ų3155.1 Ų55.115%0.15331%0.309CS..Hα-helixtrans-65.7-40.5176-173.2179.671.900111.5V23 T24 L25 L29 M30 H76 D79 L80 I83V23-M27 PolarHBondContact O-N 2.8Å; T24-M27 WeakPolarHBondContact O-CA 3.47Å; T24-M27 WeakPolarHBondContact O-CB 3.32Å; T24-M27 PolarHBondContact O-N 3.06Å; L25-M27 VanDerWaalsContact C-N 3.28Å; L25-M27 PolarHBondContact O-N 2.9Å; M27-L29 VanDerWaalsContact C-N 3.32Å; M27-L29 PolarHBondContact O-N 3.49Å; M27-M30 WeakPolarHBondContact O-CB 3.39Å; M27-M30 PolarHBondContact O-N 3.42Å; M27-H76 PolarHBondContact O-CE1 3.23Å; M27-H76 VanDerWaalsContact O-CE1 3.32Å; M27-H76 PolarHBondContact O-ND1 3.1Å; M27-D79 HydrophobicContact CG-CB 4.21Å; M27-L80 HydrophobicContact CE-CD2 4.1Å; M27-L80 HydrophobicContact SD-CD2 3.54Å; M27-L80 VanDerWaalsContact SD-CD2 3.54Å; M27-L80 HydrophobicContact SD-CG 4.15Å; M27-I83 HydrophobicContact CB-CD1 3.82Å; M27-I83 HydrophobicContact CG-CD1 4.16Å; M27-I83 HydrophobicContact SD-CB 4.36Å; M27-I83 HydrophobicContact SD-CD1 3.98Å; M27-I83 HydrophobicContact SD-CG2 4.43Å
28M89.1Confident88.2Confident127 Ų12755.4 Ų55.463%0.62630%0.302SS*.Hα-helixtrans-62-39.1174.5-67.3176.474.400111.6T24 L25 M30 G31 P32T24-M28 HydrophobicContact CG2-SD 4.45Å; T24-M28 WeakPolarHBondContact O-CG 3.16Å; T24-M28 PolarHBondContact O-N 3.42Å; L25-M28 WeakPolarHBondContact O-CB 3.46Å; L25-M28 PolarHBondContact O-N 2.92Å; L25-M28 VanDerWaalsContact O-N 3.16Å; M28-M30 VanDerWaalsContact C-N 3.26Å; M28-M30 PolarHBondContact O-N 3.27Å; M28-G31 PolarHBondContact O-N 3.36Å; M28-P32 WeakPolarHBondContact O-CD 3.33Å
29L88.9Confident87.8Confident102 Ų10259.2 Ų59.253%0.53431%0.311SS..Hα-helixtrans-64.7-26.1177.4-69.9173000113.5L25 K26 M27 G31 P32 V33L25-L29 WeakPolarHBondContact O-CG 3.48Å; L25-L29 PolarHBondContact O-N 3.22Å; K26-L29 PolarHBondContact O-N 3.45Å; M27-L29 VanDerWaalsContact C-N 3.32Å; M27-L29 PolarHBondContact O-N 3.49Å; L29-G31 VanDerWaalsContact C-N 3.25Å; L29-G31 PolarHBondContact O-N 2.94Å; L29-P32 WeakPolarHBondContact O-CD 3.33Å; L29-V33 VanDerWaalsContact O-CG2 3.29Å; L29-V33 WeakPolarHBondContact O-CG2 3.48Å; L29-V33 PolarHBondContact O-N 3.01Å
30M86.2Confident87.4Confident8 Ų860.2 Ų60.24%0.03932%0.323CS..Hα-helixtrans-67.1-25.2177.1-69.7-59.5-57.300113.3K26 M27 M28 T34 C75 H76 I122K26-M30 PolarHBondContact O-N 2.92Å; M27-M30 WeakPolarHBondContact O-CB 3.39Å; M27-M30 PolarHBondContact O-N 3.42Å; M28-M30 VanDerWaalsContact C-N 3.26Å; M28-M30 PolarHBondContact O-N 3.27Å; M30-T34 PolarHBondContact O-N 3.44Å; M30-T34 PolarHBondContact O-OG1 3.27Å; M30-C75 HydrophobicContact CE-CB 3.72Å; M30-H76 HydrophobicContact CB-CB 4.19Å; M30-H76 WeakPolarHBondContact CB-ND1 3.2Å; M30-I122 HydrophobicContact CE-CD1 4.11Å; M30-I122 HydrophobicContact SD-CD1 4.15Å
31G86.6Confident86.9Confident28 Ų2866.2 Ų66.229%0.28934%0.344SS..Hα-helixtrans-62.9-60.2174.300000112.2M28 L29 V33 T34 V35M28-G31 PolarHBondContact O-N 3.36Å; L29-G31 VanDerWaalsContact C-N 3.25Å; L29-G31 PolarHBondContact O-N 2.94Å; G31-V33 VanDerWaalsContact C-N 3.27Å; G31-V33 PolarHBondContact O-N 3.03Å; G31-T34 WeakPolarHBondContact O-CB 3.34Å; G31-T34 PolarHBondContact O-N 2.87Å; G31-V35 PolarHBondContact O-N 3.37Å
32P87.7Confident86.2Confident80 Ų8064.2 Ų64.252%0.51933%0.329SS..Hα-helixtrans-55.5-36.9173.8-2835.2000113.9M28 L29 T34 V35 Y36M28-P32 WeakPolarHBondContact O-CD 3.33Å; L29-P32 WeakPolarHBondContact O-CD 3.33Å; P32-T34 VanDerWaalsContact C-N 3.33Å; P32-T34 PolarHBondContact O-N 3.47Å; P32-V35 PolarHBondContact O-N 3.09Å; P32-Y36 WeakPolarHBondContact O-CB 3.14Å; P32-Y36 PolarHBondContact O-N 2.76Å
33V86.4Confident85.6Confident47 Ų4760.8 Ų60.829%0.28531%0.312SS..Hα-helixtrans-61.2-43175.1168.90000111.3L29 G31 V35 Y36 F37 I122L29-V33 VanDerWaalsContact O-CG2 3.29Å; L29-V33 WeakPolarHBondContact O-CG2 3.48Å; L29-V33 PolarHBondContact O-N 3.01Å; G31-V33 VanDerWaalsContact C-N 3.27Å; G31-V33 PolarHBondContact O-N 3.03Å; V33-V35 VanDerWaalsContact C-N 3.34Å; V33-V35 PolarHBondContact O-N 3.49Å; V33-Y36 WeakPolarHBondContact O-CB 3.21Å; V33-Y36 PolarHBondContact O-N 3.22Å; V33-F37 HydrophobicContact CG1-CD2 3.77Å; V33-F37 HydrophobicContact CG1-CE2 3.5Å; V33-F37 VanDerWaalsContact CG1-CE2 3.5Å; V33-F37 WeakPolarHBondContact O-CD2 3.36Å; V33-F37 PolarHBondContact O-N 3.38Å; V33-I122 HydrophobicContact CG1-CD1 4.49Å
34T85.6Confident85.1Confident12 Ų1261.6 Ų61.67%0.07432%0.316CS..Hα-helixtrans-62.8-43.7175.9-57.10000110.8M30 G31 P32 Y36 F37 R38 V69 A72 Q73M30-T34 PolarHBondContact O-N 3.44Å; M30-T34 PolarHBondContact O-OG1 3.27Å; G31-T34 WeakPolarHBondContact O-CB 3.34Å; G31-T34 PolarHBondContact O-N 2.87Å; P32-T34 VanDerWaalsContact C-N 3.33Å; P32-T34 PolarHBondContact O-N 3.47Å; T34-Y36 PolarHBondContact O-N 3.47Å; T34-F37 PolarHBondContact O-N 2.89Å; T34-R38 VanDerWaalsContact O-CG 3.29Å; T34-R38 WeakPolarHBondContact O-CG 3.27Å; T34-R38 PolarHBondContact O-N 2.83Å; T34-V69 HydrophobicContact CG2-CG1 4.35Å; T34-A72 HydrophobicContact CG2-CB 4.4Å; T34-Q73 HydrophobicContact CG2-CG 3.64Å
35V85.4Confident84.4Confident68 Ų6863.1 Ų63.141%0.41233%0.328SS..Hα-helixtrans-61.3-43.6176.2174.60000111.3G31 P32 V33 F37 R38 F39G31-V35 PolarHBondContact O-N 3.37Å; P32-V35 PolarHBondContact O-N 3.09Å; V33-V35 VanDerWaalsContact C-N 3.34Å; V33-V35 PolarHBondContact O-N 3.49Å; V35-F37 VanDerWaalsContact C-N 3.35Å; V35-F37 PolarHBondContact O-N 3.43Å; V35-R38 WeakPolarHBondContact O-CB 3.3Å; V35-R38 PolarHBondContact O-N 2.78Å; V35-R38 VanDerWaalsContact O-N 3.13Å; V35-F39 HydrophobicContact CG1-CD2 3.58Å; V35-F39 HydrophobicContact CG1-CE2 3.37Å; V35-F39 VanDerWaalsContact O-CD2 3.23Å; V35-F39 WeakPolarHBondContact O-CD2 3.23Å; V35-F39 PolarHBondContact O-N 2.99Å
36Y86.4Confident83.8Confident152 Ų15261.7 Ų61.760%0.59632%0.321SS*.Hα-helixtrans-58.5-44.3174.9177-97.2000112P32 V33 T34 R38 F39 T40P32-Y36 WeakPolarHBondContact O-CB 3.14Å; P32-Y36 PolarHBondContact O-N 2.76Å; V33-Y36 WeakPolarHBondContact O-CB 3.21Å; V33-Y36 PolarHBondContact O-N 3.22Å; T34-Y36 PolarHBondContact O-N 3.47Å; Y36-R38 VanDerWaalsContact C-N 3.34Å; Y36-R38 PolarHBondContact O-N 2.96Å; Y36-F39 PolarHBondContact O-N 3.45Å; Y36-T40 HydrophobicContact CD1-CG2 4.28Å; Y36-T40 HydrophobicContact CD2-CG2 4.17Å; Y36-T40 HydrophobicContact CE1-CG2 3.87Å; Y36-T40 HydrophobicContact CE2-CG2 3.75Å; Y36-T40 HydrophobicContact CG-CG2 4.42Å; Y36-T40 WeakPolarHBondContact O-CB 3.31Å; Y36-T40 WeakPolarHBondContact O-CG2 3.19Å; Y36-T40 PolarHBondContact O-N 3.5Å; Y36-T40 PolarHBondContact O-OG1 3.2Å
37F84.8Confident82.9Confident42 Ų4266.9 Ų66.918%0.18435%0.345CS..Hα-helixtrans-65.9-35.5175-75.3-59.7000112.7V33 T34 V35 T40 R41 D68 V69 A72V33-F37 HydrophobicContact CG1-CD2 3.77Å; V33-F37 HydrophobicContact CG1-CE2 3.5Å; V33-F37 VanDerWaalsContact CG1-CE2 3.5Å; V33-F37 WeakPolarHBondContact O-CD2 3.36Å; V33-F37 PolarHBondContact O-N 3.38Å; T34-F37 PolarHBondContact O-N 2.89Å; V35-F37 VanDerWaalsContact C-N 3.35Å; V35-F37 PolarHBondContact O-N 3.43Å; F37-T40 WeakPolarHBondContact CA-OG1 3.26Å; F37-T40 PolarHBondContact O-OG1 3.25Å; F37-R41 WeakPolarHBondContact O-CB 3.2Å; F37-R41 VanDerWaalsContact O-CG 3.32Å; F37-R41 WeakPolarHBondContact O-CG 3.22Å; F37-R41 PolarHBondContact O-N 2.94Å; F37-D68 HydrophobicContact CD1-CB 4.34Å; F37-V69 HydrophobicContact CB-CG2 3.94Å; F37-A72 HydrophobicContact CD2-CB 4Å
38R84Confident82.3Confident39 Ų3971.2 Ų71.215%0.14737%0.365CS..Hα-helixtrans-61.1-48.4174.7-70.8171.2170.5-84.12111.5T34 V35 Y36 G42 S43 S45 V69T34-R38 VanDerWaalsContact O-CG 3.29Å; T34-R38 WeakPolarHBondContact O-CG 3.27Å; T34-R38 PolarHBondContact O-N 2.83Å; V35-R38 WeakPolarHBondContact O-CB 3.3Å; V35-R38 PolarHBondContact O-N 2.78Å; V35-R38 VanDerWaalsContact O-N 3.13Å; Y36-R38 VanDerWaalsContact C-N 3.34Å; Y36-R38 PolarHBondContact O-N 2.96Å; R38-G42 CarbonylContact O-C 3.5Å; R38-G42 VanDerWaalsContact O-CA 3.26Å; R38-G42 WeakPolarHBondContact O-CA 3.43Å; R38-G42 PolarHBondContact O-N 3.25Å; R38-S43 WeakPolarHBondContact CB-O 3.26Å; R38-S43 WeakPolarHBondContact CG-O 3.19Å; R38-S43 PolarHBondContact O-N 3.25Å; R38-S45 VanDerWaalsContact NH1-N 3.2Å; R38-S45 PolarHBondContact NH1-OG 3.37Å; R38-S45 PolarHBondContact NH2-OG 3.18Å; R38-V69 HydrophobicContact CG-CG1 3.66Å; R38-V69 HydrophobicContact CG-CG2 4.01Å
39F81.6Confident81.5Confident142 Ų14269.3 Ų69.362%0.62336%0.358SS*.Hα-helixtrans-68.1-44.7178.9-77.4-68.3000112.9V35 Y36 G42 F44V35-F39 HydrophobicContact CG1-CD2 3.58Å; V35-F39 HydrophobicContact CG1-CE2 3.37Å; V35-F39 VanDerWaalsContact O-CD2 3.23Å; V35-F39 WeakPolarHBondContact O-CD2 3.23Å; V35-F39 PolarHBondContact O-N 2.99Å; Y36-F39 PolarHBondContact O-N 3.45Å; F39-G42 PolarHBondContact O-N 3.04Å; F39-F44 AromaticContact CD1-CE1 3.97Å; F39-F44 HydrophobicContact CD1-CE1 3.97Å; F39-F44 AromaticContact CD1-CZ 3.72Å; F39-F44 HydrophobicContact CD1-CZ 3.72Å; F39-F44 AromaticContact CE1-CE1 3.85Å; F39-F44 HydrophobicContact CE1-CE1 3.85Å; F39-F44 AromaticContact CE1-CZ 3.94Å; F39-F44 HydrophobicContact CE1-CZ 3.94Å; F39-F44 HydrophobicContact CG-CZ 4.47Å; F39-F44 HydrophobicContact CZ-CE1 4.37Å
40T81.8Confident80.9Confident69 Ų6964.6 Ų64.642%0.42333%0.333SS..Hα-helixtrans-72.2-32.8-177.452.10000113.7Y36 F37Y36-T40 HydrophobicContact CD1-CG2 4.28Å; Y36-T40 HydrophobicContact CD2-CG2 4.17Å; Y36-T40 HydrophobicContact CE1-CG2 3.87Å; Y36-T40 HydrophobicContact CE2-CG2 3.75Å; Y36-T40 HydrophobicContact CG-CG2 4.42Å; Y36-T40 WeakPolarHBondContact O-CB 3.31Å; Y36-T40 WeakPolarHBondContact O-CG2 3.19Å; Y36-T40 PolarHBondContact O-N 3.5Å; Y36-T40 PolarHBondContact O-OG1 3.2Å; F37-T40 WeakPolarHBondContact CA-OG1 3.26Å; F37-T40 PolarHBondContact O-OG1 3.25Å
41R79.9Confident80.2Confident131 Ų13167.3 Ų67.349%0.49436%0.357SS..Hα-helixtrans-92.1-6.6176.2-57.5-57.4-166-165.53.3113.2F37 S43 H66 D68F37-R41 WeakPolarHBondContact O-CB 3.2Å; F37-R41 VanDerWaalsContact O-CG 3.32Å; F37-R41 WeakPolarHBondContact O-CG 3.22Å; F37-R41 PolarHBondContact O-N 2.94Å; R41-S43 VanDerWaalsContact C-N 3.27Å; R41-S43 PolarHBondContact O-N 3.44Å; R41-H66 HydrophobicContact CB-CB 4.13Å; R41-D68 IonicContact CZ-OD2 3.27Å; R41-D68 VanDerWaalsContact CZ-OD2 3.28Å; R41-D68 IonicContact NE-OD2 3.59Å; R41-D68 PolarHBondContact NE-OD2 3.36Å; R41-D68 IonicContact NH2-OD2 2.84Å; R41-D68 PolarHBondContact NH2-OD2 3.38Å
42G75.6Confident79.6Confident18 Ų1875.7 Ų75.719%0.18639%0.385CS..THydrogen-bonded Turntrans59.137.2-175.400000112.5R38 F39 M62R38-G42 CarbonylContact O-C 3.5Å; R38-G42 VanDerWaalsContact O-CA 3.26Å; R38-G42 WeakPolarHBondContact O-CA 3.43Å; R38-G42 PolarHBondContact O-N 3.25Å; F39-G42 PolarHBondContact O-N 3.04Å; G42-M62 WeakPolarHBondContact O-CA 3.46Å; G42-M62 VanDerWaalsContact O-CB 3.28Å; G42-M62 WeakPolarHBondContact O-CB 3.39Å; G42-M62 VanDerWaalsContact O-CG 3.31Å; G42-M62 WeakPolarHBondContact O-CG 3.37Å
43S78.3Confident79Confident5 Ų575 Ų754%0.03538%0.375CS..  trans-111.698.1-176.8163.50000109.5R38 R41 M62 R64 H66R38-S43 WeakPolarHBondContact CB-O 3.26Å; R38-S43 WeakPolarHBondContact CG-O 3.19Å; R38-S43 PolarHBondContact O-N 3.25Å; R41-S43 VanDerWaalsContact C-N 3.27Å; R41-S43 PolarHBondContact O-N 3.44Å; S43-M62 CarbonylContact C-O 3.55Å; S43-M62 WeakPolarHBondContact CA-O 3.44Å; S43-R64 PolarHBondContact OG-O 2.85Å; S43-R64 VanDerWaalsContact OG-O 3.11Å; S43-H66 PolarHBondContact OG-N 3.12Å
44F79.4Confident78.3Confident20 Ų2079.6 Ų79.69%0.08840%0.403CS..  trans-103148.7178.2-60.1-86000110F39 D49 V50 M62F39-F44 AromaticContact CD1-CE1 3.97Å; F39-F44 HydrophobicContact CD1-CE1 3.97Å; F39-F44 AromaticContact CD1-CZ 3.72Å; F39-F44 HydrophobicContact CD1-CZ 3.72Å; F39-F44 AromaticContact CE1-CE1 3.85Å; F39-F44 HydrophobicContact CE1-CE1 3.85Å; F39-F44 AromaticContact CE1-CZ 3.94Å; F39-F44 HydrophobicContact CE1-CZ 3.94Å; F39-F44 HydrophobicContact CG-CZ 4.47Å; F39-F44 HydrophobicContact CZ-CE1 4.37Å; F44-D49 HydrophobicContact CB-CB 3.94Å; F44-D49 HydrophobicContact CD1-CB 3.68Å; F44-D49 HydrophobicContact CE1-CB 4.47Å; F44-D49 HydrophobicContact CG-CB 3.94Å; F44-V50 HydrophobicContact CB-CG2 3.72Å; F44-V50 HydrophobicContact CD2-CG2 4.06Å; F44-V50 HydrophobicContact CG-CG2 4.13Å; F44-M62 HydrophobicContact CD2-CB 4.38Å; F44-M62 HydrophobicContact CD2-CE 3.79Å; F44-M62 HydrophobicContact CE2-CE 3.49Å; F44-M62 VanDerWaalsContact CE2-CE 3.49Å; F44-M62 PolarHBondContact N-O 3.17Å
45S75.4Confident78.1Confident74 Ų7482.1 Ų82.152%0.51742%0.416SS..SBendtrans-92.9-16.2179.2-65.40000112.5R38R38-S45 VanDerWaalsContact NH1-N 3.2Å; R38-S45 PolarHBondContact NH1-OG 3.37Å; R38-S45 PolarHBondContact NH2-OG 3.18Å
46N78Confident77.7Confident73 Ų7384.2 Ų84.239%0.3942%0.422SS..SBendtrans-121138.1-164-79.217.9000109.3E48 D49N46-E48 VanDerWaalsContact C-N 3.32Å; N46-E48 VanDerWaalsContact CB-CD 3.44Å; N46-E48 HydrophobicContact CB-CG 4.35Å; N46-E48 VanDerWaalsContact CB-OE1 3.25Å; N46-E48 WeakPolarHBondContact CB-OE1 3.28Å; N46-E48 WeakPolarHBondContact CB-OE2 3.5Å; N46-E48 VanDerWaalsContact CG-OE1 3.3Å; N46-E48 PolarHBondContact ND2-OE1 2.92Å; N46-E48 PolarHBondContact O-N 3.43Å; N46-D49 PolarHBondContact O-N 3.34Å
47E71.9Confident77.2Confident137 Ų13784.7 Ų84.764%0.6443%0.43SS*.SBendtrans-70.9-30-176.9-65.2-171175.300112.4D49 V50 A51 L63E47-D49 VanDerWaalsContact C-N 3.28Å; E47-D49 PolarHBondContact O-N 3.33Å; E47-V50 PolarHBondContact O-N 3.38Å; E47-A51 PolarHBondContact O-N 2.88Å; E47-L63 HydrophobicContact CG-CD1 4.22Å; E47-L63 HydrophobicContact CG-CD2 4.13Å
48E74.9Confident76.6Confident122 Ų12288.1 Ų88.157%0.5744%0.444SS*.G310 helixtrans-63.4-32.2176.766-85.5-16700113N46 V50 A51N46-E48 VanDerWaalsContact C-N 3.32Å; N46-E48 VanDerWaalsContact CB-CD 3.44Å; N46-E48 HydrophobicContact CB-CG 4.35Å; N46-E48 VanDerWaalsContact CB-OE1 3.25Å; N46-E48 WeakPolarHBondContact CB-OE1 3.28Å; N46-E48 WeakPolarHBondContact CB-OE2 3.5Å; N46-E48 VanDerWaalsContact CG-OE1 3.3Å; N46-E48 PolarHBondContact ND2-OE1 2.92Å; N46-E48 PolarHBondContact O-N 3.43Å; E48-V50 PolarHBondContact O-N 3.01Å; E48-A51 WeakPolarHBondContact O-CB 3.32Å; E48-A51 PolarHBondContact O-N 3.35Å
49D73.3Confident76.2Confident87 Ų8788.5 Ų88.547%0.46545%0.447SS..G310 helixtrans-71-19.8179.7-70.5-24.2000112.3F44 N46 E47F44-D49 HydrophobicContact CB-CB 3.94Å; F44-D49 HydrophobicContact CD1-CB 3.68Å; F44-D49 HydrophobicContact CE1-CB 4.47Å; F44-D49 HydrophobicContact CG-CB 3.94Å; N46-D49 PolarHBondContact O-N 3.34Å; E47-D49 VanDerWaalsContact C-N 3.28Å; E47-D49 PolarHBondContact O-N 3.33Å
50V76.5Confident75.8Confident2 Ų288.4 Ų88.41%0.01245%0.446CS..G310 helixtrans-111.9-1.5-177.7-156.70000111.6F44 E47 E48 K52 E53 K59 M62 L63F44-V50 HydrophobicContact CB-CG2 3.72Å; F44-V50 HydrophobicContact CD2-CG2 4.06Å; F44-V50 HydrophobicContact CG-CG2 4.13Å; E47-V50 PolarHBondContact O-N 3.38Å; E48-V50 PolarHBondContact O-N 3.01Å; V50-K52 PolarHBondContact O-N 3.25Å; V50-K52 VanDerWaalsContact O-N 3.11Å; V50-E53 HydrophobicContact CG1-CB 4.15Å; V50-E53 WeakPolarHBondContact O-CB 3.22Å; V50-E53 PolarHBondContact O-N 3.16Å; V50-K59 HydrophobicContact CB-CG 4.17Å; V50-K59 HydrophobicContact CG1-CB 4.03Å; V50-K59 HydrophobicContact CG1-CG 3.69Å; V50-M62 HydrophobicContact CG1-CB 3.76Å; V50-M62 HydrophobicContact CG1-CE 4.01Å; V50-M62 HydrophobicContact CG1-CG 4.44Å; V50-M62 HydrophobicContact CG1-SD 3.89Å; V50-M62 HydrophobicContact CG2-CB 4.22Å; V50-L63 HydrophobicContact CG2-CD2 3.85Å; V50-L63 HydrophobicContact CG2-CG 4.22Å
51A71.4Confident75.6Confident66 Ų6692.7 Ų92.755%0.54546%0.459SS..THydrogen-bonded Turntrans-62.6-21-177.200000113.9E47 E48 E53E47-A51 PolarHBondContact O-N 2.88Å; E48-A51 WeakPolarHBondContact O-CB 3.32Å; E48-A51 PolarHBondContact O-N 3.35Å; A51-E53 VanDerWaalsContact C-N 3.32Å
52K73.6Confident75.4Confident204 Ų20488.6 Ų88.689%0.88745%0.446SS*.THydrogen-bonded Turntrans-78.8-12.8175.6-66-177.6-179.6176.70113.6V50 T54V50-K52 PolarHBondContact O-N 3.25Å; V50-K52 VanDerWaalsContact O-N 3.11Å; K52-T54 PolarHBondContact O-N 3.33Å
53E74.1Confident75.5Confident65 Ų6590.4 Ų90.430%0.30445%0.451SS..  trans-83.5114.9178.8-173.463.1-144.800110.1V50 A51 N55 K58 M62V50-E53 HydrophobicContact CG1-CB 4.15Å; V50-E53 WeakPolarHBondContact O-CB 3.22Å; V50-E53 PolarHBondContact O-N 3.16Å; A51-E53 VanDerWaalsContact C-N 3.32Å; E53-N55 HydrophobicContact CG-CB 4.47Å; E53-N55 PolarHBondContact O-N 2.89Å; E53-K58 HydrophobicContact CG-CB 3.91Å; E53-K58 VanDerWaalsContact OE1-CD 3.31Å; E53-K58 WeakPolarHBondContact OE1-CD 3.34Å; E53-M62 HydrophobicContact CG-SD 4.38Å
54T73.4Confident75.5Confident143 Ų14399 Ų9988%0.87748%0.483SS*.  trans-74.7-14.4-178-290000113.1K52K52-T54 PolarHBondContact O-N 3.33Å
55N80.7Confident75.3Confident65 Ų65101.2 Ų101.235%0.34851%0.505SS..  trans-96.4111.4-178.9-176.4-41.1000111.2E53 E57 K58 K59E53-N55 HydrophobicContact CG-CB 4.47Å; E53-N55 PolarHBondContact O-N 2.89Å; N55-E57 VanDerWaalsContact C-N 3.34Å; N55-E57 PolarHBondContact O-N 2.84Å; N55-E57 WeakPolarHBondContact OD1-CB 3.2Å; N55-E57 PolarHBondContact OD1-N 3.34Å; N55-K58 HydrophobicContact CB-CB 4.1Å; N55-K58 HydrophobicContact CB-CD 4.09Å; N55-K58 HydrophobicContact CB-CG 4.19Å; N55-K58 PolarHBondContact O-N 3.06Å; N55-K58 PolarHBondContact OD1-N 3.18Å; N55-K58 VanDerWaalsContact OD1-N 3.14Å; N55-K59 WeakPolarHBondContact O-CB 3.36Å; N55-K59 PolarHBondContact O-N 3.28Å
56E76.1Confident75.7Confident112 Ų112100.4 Ų100.452%0.52349%0.493SS..Hα-helixtrans-59.6-34.4-179.1-77.6-65.2149.800114.3K60E56-K60 WeakPolarHBondContact O-CB 3.39Å; E56-K60 WeakPolarHBondContact O-CG 3.46Å; E56-K60 PolarHBondContact O-N 3.39Å
57E76.7Confident75.9Confident163 Ų163100.6 Ų100.676%0.76250%0.498SS*.Hα-helixtrans-70.6-41.1176.7-68.9-168.3153.200111.7N55 K60 K61N55-E57 VanDerWaalsContact C-N 3.34Å; N55-E57 PolarHBondContact O-N 2.84Å; N55-E57 WeakPolarHBondContact OD1-CB 3.2Å; N55-E57 PolarHBondContact OD1-N 3.34Å; E57-K60 PolarHBondContact O-N 3.47Å; E57-K61 WeakPolarHBondContact O-CB 3.48Å; E57-K61 PolarHBondContact O-N 3.47Å
58K72.4Confident76.4Confident113 Ų11396 Ų9649%0.49148%0.478SS..Hα-helixtrans-66.5-40.8174.5-72.5-177.1179.5178.20111E53 N55 K61 M62E53-K58 HydrophobicContact CG-CB 3.91Å; E53-K58 VanDerWaalsContact OE1-CD 3.31Å; E53-K58 WeakPolarHBondContact OE1-CD 3.34Å; N55-K58 HydrophobicContact CB-CB 4.1Å; N55-K58 HydrophobicContact CB-CD 4.09Å; N55-K58 HydrophobicContact CB-CG 4.19Å; N55-K58 PolarHBondContact O-N 3.06Å; N55-K58 PolarHBondContact OD1-N 3.18Å; N55-K58 VanDerWaalsContact OD1-N 3.14Å; K58-K61 WeakPolarHBondContact O-CB 3.27Å; K58-K61 PolarHBondContact O-N 3.37Å; K58-K61 VanDerWaalsContact O-N 3.15Å; K58-M62 WeakPolarHBondContact O-CB 2.96Å; K58-M62 VanDerWaalsContact O-CG 3.23Å; K58-M62 WeakPolarHBondContact O-CG 3.5Å; K58-M62 PolarHBondContact O-N 3.08Å
59K75.1Confident76.9Confident47 Ų4790.3 Ų90.320%0.20445%0.452CS..Hα-helixtrans-58.2-49.9175.2-175.9175.8-179.8-1720111.5V50 N55 K61 M62 L63V50-K59 HydrophobicContact CB-CG 4.17Å; V50-K59 HydrophobicContact CG1-CB 4.03Å; V50-K59 HydrophobicContact CG1-CG 3.69Å; N55-K59 WeakPolarHBondContact O-CB 3.36Å; N55-K59 PolarHBondContact O-N 3.28Å; K59-K61 VanDerWaalsContact C-N 3.31Å; K59-K61 PolarHBondContact O-N 2.95Å; K59-M62 PolarHBondContact O-N 3.39Å; K59-M62 VanDerWaalsContact O-N 3.16Å; K59-L63 HydrophobicContact CG-CD1 4.3Å; K59-L63 WeakPolarHBondContact O-CG 3.38Å; K59-L63 PolarHBondContact O-N 3.01Å
60K74.4Confident77.6Confident141 Ų14189.5 Ų89.561%0.61345%0.445SS*.Hα-helixtrans-60.8-37.1174.4-76179.3-177.3177.90113.1E56 E57E56-K60 WeakPolarHBondContact O-CB 3.39Å; E56-K60 WeakPolarHBondContact O-CG 3.46Å; E56-K60 PolarHBondContact O-N 3.39Å; E57-K60 PolarHBondContact O-N 3.47Å
61K76.5Confident78Confident159 Ų15992.6 Ų92.669%0.69146%0.457SS*.Hα-helixtrans-68-38.1176-170.8179.7179-178.60111.6E57 K58 K59 R64E57-K61 WeakPolarHBondContact O-CB 3.48Å; E57-K61 PolarHBondContact O-N 3.47Å; K58-K61 WeakPolarHBondContact O-CB 3.27Å; K58-K61 PolarHBondContact O-N 3.37Å; K58-K61 VanDerWaalsContact O-N 3.15Å; K59-K61 VanDerWaalsContact C-N 3.31Å; K59-K61 PolarHBondContact O-N 2.95Å; K61-R64 WeakPolarHBondContact O-CB 3.48Å; K61-R64 PolarHBondContact O-N 3.41Å
62M75.5Confident78.8Confident45 Ų4589.6 Ų89.622%0.22243%0.432CS..Hα-helixtrans-74.8-24.8-178.5-71.6169.17300113.5G42 S43 F44 V50 E53 K58 K59 R64G42-M62 WeakPolarHBondContact O-CA 3.46Å; G42-M62 VanDerWaalsContact O-CB 3.28Å; G42-M62 WeakPolarHBondContact O-CB 3.39Å; G42-M62 VanDerWaalsContact O-CG 3.31Å; G42-M62 WeakPolarHBondContact O-CG 3.37Å; S43-M62 CarbonylContact C-O 3.55Å; S43-M62 WeakPolarHBondContact CA-O 3.44Å; F44-M62 HydrophobicContact CD2-CB 4.38Å; F44-M62 HydrophobicContact CD2-CE 3.79Å; F44-M62 HydrophobicContact CE2-CE 3.49Å; F44-M62 VanDerWaalsContact CE2-CE 3.49Å; F44-M62 PolarHBondContact N-O 3.17Å; V50-M62 HydrophobicContact CG1-CB 3.76Å; V50-M62 HydrophobicContact CG1-CE 4.01Å; V50-M62 HydrophobicContact CG1-CG 4.44Å; V50-M62 HydrophobicContact CG1-SD 3.89Å; V50-M62 HydrophobicContact CG2-CB 4.22Å; E53-M62 HydrophobicContact CG-SD 4.38Å; K58-M62 WeakPolarHBondContact O-CB 2.96Å; K58-M62 VanDerWaalsContact O-CG 3.23Å; K58-M62 WeakPolarHBondContact O-CG 3.5Å; K58-M62 PolarHBondContact O-N 3.08Å; K59-M62 PolarHBondContact O-N 3.39Å; K59-M62 VanDerWaalsContact O-N 3.16Å; M62-R64 PolarHBondContact O-N 2.78Å
63L77.5Confident79.5Confident55 Ų5583.6 Ų83.629%0.28841%0.407SS..THydrogen-bonded Turntrans-78.4-5.8172.3-68.5169000113.5E47 V50 K59E47-L63 HydrophobicContact CG-CD1 4.22Å; E47-L63 HydrophobicContact CG-CD2 4.13Å; V50-L63 HydrophobicContact CG2-CD2 3.85Å; V50-L63 HydrophobicContact CG2-CG 4.22Å; K59-L63 HydrophobicContact CG-CD1 4.3Å; K59-L63 WeakPolarHBondContact O-CG 3.38Å; K59-L63 PolarHBondContact O-N 3.01Å
64R78.4Confident80.2Confident185 Ų18586 Ų8670%0.69841%0.413SS*.SBendtrans-80.2134.8175.3-71.2-178.3-179.1-175.40.3110.4S43 K61 M62 H66S43-R64 PolarHBondContact OG-O 2.85Å; S43-R64 VanDerWaalsContact OG-O 3.11Å; K61-R64 WeakPolarHBondContact O-CB 3.48Å; K61-R64 PolarHBondContact O-N 3.41Å; M62-R64 PolarHBondContact O-N 2.78Å; R64-H66 PolarHBondContact O-N 2.94Å
65A76.4Confident80.9Confident68 Ų6879.1 Ų79.156%0.56237%0.371SS*.PPolyproline II helixtrans-62.1126.3172.600000110.8E70A65-E70 HydrophobicContact CB-CG 4.22Å; A65-E70 WeakPolarHBondContact CB-OE1 3.36Å
66H82.4Confident81.3Confident56 Ų5678.7 Ų78.726%0.25937%0.367SS..PPolyproline II helixtrans-91.8136.2171.9-167.6-81.5000110.4R41 S43 R64 D68 V69 E70R41-H66 HydrophobicContact CB-CB 4.13Å; S43-H66 PolarHBondContact OG-N 3.12Å; R64-H66 PolarHBondContact O-N 2.94Å; H66-D68 VanDerWaalsContact CE1-CG 3.48Å; H66-D68 IonicContact CE1-OD2 2.67Å; H66-D68 PolarHBondContact CE1-OD2 3.34Å; H66-D68 WeakPolarHBondContact ND1-CB 3.35Å; H66-D68 PolarHBondContact ND1-N 2.95Å; H66-D68 VanDerWaalsContact ND1-N 3.19Å; H66-D68 IonicContact ND1-OD2 3.3Å; H66-D68 PolarHBondContact O-N 3.37Å; H66-D68 VanDerWaalsContact O-N 3.13Å; H66-V69 HydrophobicContact CB-CG2 4.2Å; H66-V69 PolarHBondContact O-N 2.96Å; H66-E70 PolarHBondContact O-N 3.49Å; H66-E70 VanDerWaalsContact O-N 3.12Å
67P83.8Confident81.9Confident77 Ų7778.6 Ų78.650%0.537%0.366SS..Hα-helixtrans-57.4-32.9-176.920.8-33.8000113.7R71P67-R71 WeakPolarHBondContact O-CB 3.3Å; P67-R71 PolarHBondContact O-N 2.97Å
68D82.3Confident82.5Confident40 Ų4072 Ų7221%0.21434%0.336CS..Hα-helixtrans-67-37.8175.3-63.7-14000112.9F37 R41 H66 R71 A72F37-D68 HydrophobicContact CD1-CB 4.34Å; R41-D68 IonicContact CZ-OD2 3.27Å; R41-D68 VanDerWaalsContact CZ-OD2 3.28Å; R41-D68 IonicContact NE-OD2 3.59Å; R41-D68 PolarHBondContact NE-OD2 3.36Å; R41-D68 IonicContact NH2-OD2 2.84Å; R41-D68 PolarHBondContact NH2-OD2 3.38Å; H66-D68 VanDerWaalsContact CE1-CG 3.48Å; H66-D68 IonicContact CE1-OD2 2.67Å; H66-D68 PolarHBondContact CE1-OD2 3.34Å; H66-D68 WeakPolarHBondContact ND1-CB 3.35Å; H66-D68 PolarHBondContact ND1-N 2.95Å; H66-D68 VanDerWaalsContact ND1-N 3.19Å; H66-D68 IonicContact ND1-OD2 3.3Å; H66-D68 PolarHBondContact O-N 3.37Å; H66-D68 VanDerWaalsContact O-N 3.13Å; D68-R71 WeakPolarHBondContact O-CB 3.29Å; D68-R71 PolarHBondContact O-N 3.23Å; D68-A72 PolarHBondContact O-N 3.46Å
69V84.4Confident83.3Confident3 Ų366.6 Ų66.62%0.01831%0.312CS..Hα-helixtrans-69.3-47.9178.5174.10000109.6T34 F37 R38 H66 R71 A72 Q73T34-V69 HydrophobicContact CG2-CG1 4.35Å; F37-V69 HydrophobicContact CB-CG2 3.94Å; R38-V69 HydrophobicContact CG-CG1 3.66Å; R38-V69 HydrophobicContact CG-CG2 4.01Å; H66-V69 HydrophobicContact CB-CG2 4.2Å; H66-V69 PolarHBondContact O-N 2.96Å; V69-R71 PolarHBondContact O-N 3.45Å; V69-A72 PolarHBondContact O-N 2.96Å; V69-Q73 WeakPolarHBondContact O-CG 3.37Å; V69-Q73 PolarHBondContact O-N 2.72Å
70E87.3Confident83.9Confident71 Ų7167 Ų6733%0.33232%0.316SS..Hα-helixtrans-60.5-35.8175.1-65.1-174.8175.500111.8A65 H66 Q73 R74A65-E70 HydrophobicContact CB-CG 4.22Å; A65-E70 WeakPolarHBondContact CB-OE1 3.36Å; H66-E70 PolarHBondContact O-N 3.49Å; H66-E70 VanDerWaalsContact O-N 3.12Å; E70-Q73 PolarHBondContact O-N 3.38Å; E70-R74 WeakPolarHBondContact O-CB 3.28Å; E70-R74 VanDerWaalsContact O-CG 3.3Å; E70-R74 WeakPolarHBondContact O-CG 3.48Å; E70-R74 PolarHBondContact O-N 2.83Å; E70-R74 IonicContact OE2-CZ 3.28Å; E70-R74 IonicContact OE2-NH1 2.89Å; E70-R74 PolarHBondContact OE2-NH1 2.78Å; E70-R74 IonicContact OE2-NH2 3.66Å
71R86.2Confident84.6Confident67 Ų6765 Ų6525%0.25331%0.31SS..Hα-helixtrans-63.9-45.9176.4177.7-174.2-69.7-1047.3110.9P67 D68 V69 Q73 R74 C75 Y121P67-R71 WeakPolarHBondContact O-CB 3.3Å; P67-R71 PolarHBondContact O-N 2.97Å; D68-R71 WeakPolarHBondContact O-CB 3.29Å; D68-R71 PolarHBondContact O-N 3.23Å; V69-R71 PolarHBondContact O-N 3.45Å; R71-Q73 VanDerWaalsContact C-N 3.33Å; R71-Q73 PolarHBondContact O-N 2.97Å; R71-R74 PolarHBondContact O-N 3.26Å; R71-C75 PolarHBondContact O-N 3.06Å; R71-Y121 HydrophobicContact CB-CE1 4.14Å; R71-Y121 WeakPolarHBondContact CD-O 3.26Å; R71-Y121 HydrophobicContact CG-CD1 3.45Å; R71-Y121 VanDerWaalsContact CG-CD1 3.45Å; R71-Y121 HydrophobicContact CG-CE1 3.45Å; R71-Y121 VanDerWaalsContact CG-CE1 3.45Å; R71-Y121 PolarHBondContact NH1-O 3.31Å; R71-Y121 VanDerWaalsContact NH1-O 3.13Å; R71-Y121 VanDerWaalsContact O-CD1 3.3Å; R71-Y121 WeakPolarHBondContact O-CD1 3.2Å; R71-Y121 WeakPolarHBondContact O-CE1 3.41Å
72A86.9Confident85.2Confident2 Ų257.6 Ų57.62%0.01728%0.277CS..Hα-helixtrans-61.4-42.5174.700000111.7T34 F37 D68 V69 C75 H76T34-A72 HydrophobicContact CG2-CB 4.4Å; F37-A72 HydrophobicContact CD2-CB 4Å; D68-A72 PolarHBondContact O-N 3.46Å; V69-A72 PolarHBondContact O-N 2.96Å; A72-C75 WeakPolarHBondContact O-CB 3.23Å; A72-C75 PolarHBondContact O-N 2.87Å; A72-H76 PolarHBondContact O-N 3.45Å
73Q88.8Confident85.8Confident79 Ų7955.6 Ų55.637%0.36927%0.268SS..Hα-helixtrans-63.4-45176.8-71.6-179.3-55.500113T34 V69 E70 R71 C75 H76 H77T34-Q73 HydrophobicContact CG2-CG 3.64Å; V69-Q73 WeakPolarHBondContact O-CG 3.37Å; V69-Q73 PolarHBondContact O-N 2.72Å; E70-Q73 PolarHBondContact O-N 3.38Å; R71-Q73 VanDerWaalsContact C-N 3.33Å; R71-Q73 PolarHBondContact O-N 2.97Å; Q73-C75 VanDerWaalsContact C-N 3.3Å; Q73-C75 PolarHBondContact O-N 2.89Å; Q73-H76 PolarHBondContact O-N 3.32Å; Q73-H77 PolarHBondContact O-N 3.46Å
74R88.4Confident86.4Confident114 Ų11456.8 Ų56.843%0.4327%0.274SS..Hα-helixtrans-63.7-36.6176.5-74.3-175.4-70.4-104.6-5111.9E70 R71 H77 N78 Y121E70-R74 WeakPolarHBondContact O-CB 3.28Å; E70-R74 VanDerWaalsContact O-CG 3.3Å; E70-R74 WeakPolarHBondContact O-CG 3.48Å; E70-R74 PolarHBondContact O-N 2.83Å; E70-R74 IonicContact OE2-CZ 3.28Å; E70-R74 IonicContact OE2-NH1 2.89Å; E70-R74 PolarHBondContact OE2-NH1 2.78Å; E70-R74 IonicContact OE2-NH2 3.66Å; R71-R74 PolarHBondContact O-N 3.26Å; R74-H77 PolarHBondContact O-N 3.4Å; R74-N78 WeakPolarHBondContact O-CB 3.3Å; R74-N78 PolarHBondContact O-N 3.11Å; R74-Y121 HydrophobicContact CB-CE1 4.04Å; R74-Y121 WeakPolarHBondContact CB-OH 3.49Å; R74-Y121 WeakPolarHBondContact CD-OH 3.35Å; R74-Y121 PolarHBondContact NE-OH 3.2Å
75C88.4Confident87Confident0 Ų050.5 Ų50.50%026%0.256CS..Hα-helixtrans-61.6-47.6172.4-172.80000111M30 R71 A72 Q73 H77 N78 D79 Y121M30-C75 HydrophobicContact CE-CB 3.72Å; R71-C75 PolarHBondContact O-N 3.06Å; A72-C75 WeakPolarHBondContact O-CB 3.23Å; A72-C75 PolarHBondContact O-N 2.87Å; Q73-C75 VanDerWaalsContact C-N 3.3Å; Q73-C75 PolarHBondContact O-N 2.89Å; C75-H77 VanDerWaalsContact C-N 3.35Å; C75-H77 PolarHBondContact O-N 2.79Å; C75-N78 PolarHBondContact O-N 3.06Å; C75-D79 PolarHBondContact O-N 3.29Å; C75-D79 VanDerWaalsContact O-OD2 3.13Å; C75-Y121 HydrophobicContact CB-CD1 3.74Å; C75-Y121 HydrophobicContact CB-CD2 4.46Å; C75-Y121 HydrophobicContact CB-CE1 4.29Å; C75-Y121 HydrophobicContact CB-CG 3.85Å
76H89.3Confident87.6Confident56 Ų5647.3 Ų47.326%0.25923%0.23SC..Hα-helixtrans-63.4-38.6178.2-171.364.7000112.7M27 M30 A72 Q73 D79 L80M27-H76 PolarHBondContact O-CE1 3.23Å; M27-H76 VanDerWaalsContact O-CE1 3.32Å; M27-H76 PolarHBondContact O-ND1 3.1Å; M30-H76 HydrophobicContact CB-CB 4.19Å; M30-H76 WeakPolarHBondContact CB-ND1 3.2Å; A72-H76 PolarHBondContact O-N 3.45Å; Q73-H76 PolarHBondContact O-N 3.32Å; H76-D79 WeakPolarHBondContact O-CB 3.12Å; H76-D79 PolarHBondContact O-N 3.36Å; H76-L80 WeakPolarHBondContact O-CG 3.36Å; H76-L80 PolarHBondContact O-N 3.37Å
77H89.5Confident87.9Confident109 Ų10948.8 Ų48.851%0.50524%0.236SC..Hα-helixtrans-64.1-45.5175.6-164.173.7000111.6Q73 R74 C75 D79 L80 E81Q73-H77 PolarHBondContact O-N 3.46Å; R74-H77 PolarHBondContact O-N 3.4Å; C75-H77 VanDerWaalsContact C-N 3.35Å; C75-H77 PolarHBondContact O-N 2.79Å; H77-D79 PolarHBondContact O-N 3.2Å; H77-L80 WeakPolarHBondContact O-CB 3.2Å; H77-L80 PolarHBondContact O-N 2.89Å; H77-L80 VanDerWaalsContact O-N 3.11Å; H77-E81 IonicContact CD2-OE1 3.22Å; H77-E81 PolarHBondContact CD2-OE1 3.47Å; H77-E81 VanDerWaalsContact CD2-OE1 3.27Å; H77-E81 IonicContact NE2-OE1 2.86Å; H77-E81 PolarHBondContact NE2-OE1 2.81Å; H77-E81 WeakPolarHBondContact O-CG 3.38Å; H77-E81 PolarHBondContact O-N 3.41Å
78N89.3Confident88.2Confident24 Ų2451.5 Ų51.513%0.12824%0.24CC..Hα-helixtrans-62.7-34.1175.8-170.1-104.4000112.1R74 C75 E81 N82 R114 H117 Y134R74-N78 WeakPolarHBondContact O-CB 3.3Å; R74-N78 PolarHBondContact O-N 3.11Å; C75-N78 PolarHBondContact O-N 3.06Å; N78-E81 PolarHBondContact O-N 3.47Å; N78-N82 PolarHBondContact O-N 3.07Å; N78-N82 PolarHBondContact O-ND2 3.04Å; N78-N82 PolarHBondContact OD1-ND2 3.34Å; N78-R114 PolarHBondContact OD1-NH1 3.24Å; N78-H117 PolarHBondContact OD1-CE1 3.25Å; N78-Y134 WeakPolarHBondContact ND2-CE2 3.45Å
79D88.4Confident88.6Confident0 Ų051.3 Ų51.30%024%0.239CC..Hα-helixtrans-62.4-46172.9-69.2-40.8000111.6K26 M27 C75 H76 H77 E81 N82 I83K26-D79 IonicContact NZ-OD1 2.56Å; K26-D79 PolarHBondContact NZ-OD1 3Å; K26-D79 IonicContact NZ-OD2 3.67Å; K26-D79 PolarHBondContact NZ-OD2 3.16Å; M27-D79 HydrophobicContact CG-CB 4.21Å; C75-D79 PolarHBondContact O-N 3.29Å; C75-D79 VanDerWaalsContact O-OD2 3.13Å; H76-D79 WeakPolarHBondContact O-CB 3.12Å; H76-D79 PolarHBondContact O-N 3.36Å; H77-D79 PolarHBondContact O-N 3.2Å; D79-E81 PolarHBondContact O-N 3.22Å; D79-N82 PolarHBondContact O-N 3.24Å; D79-I83 HydrophobicContact CB-CD1 3.76Å; D79-I83 WeakPolarHBondContact O-CB 3.45Å; D79-I83 WeakPolarHBondContact O-CG1 3.37Å; D79-I83 PolarHBondContact O-N 2.7Å
80L88.3Confident88.7Confident55 Ų5551.2 Ų51.229%0.28824%0.238SC..Hα-helixtrans-59.4-46.7176.2-70.5165.8000111.4M27 H76 H77 N82 I84M27-L80 HydrophobicContact CE-CD2 4.1Å; M27-L80 HydrophobicContact SD-CD2 3.54Å; M27-L80 VanDerWaalsContact SD-CD2 3.54Å; M27-L80 HydrophobicContact SD-CG 4.15Å; H76-L80 WeakPolarHBondContact O-CG 3.36Å; H76-L80 PolarHBondContact O-N 3.37Å; H77-L80 WeakPolarHBondContact O-CB 3.2Å; H77-L80 PolarHBondContact O-N 2.89Å; H77-L80 VanDerWaalsContact O-N 3.11Å; L80-N82 PolarHBondContact O-N 2.88Å; L80-I84 HydrophobicContact CB-CD1 4.16Å; L80-I84 HydrophobicContact CD2-CD1 4.04Å; L80-I84 VanDerWaalsContact O-CB 3.3Å; L80-I84 WeakPolarHBondContact O-CB 3.49Å; L80-I84 WeakPolarHBondContact O-CD1 3.18Å; L80-I84 WeakPolarHBondContact O-CG1 3.13Å; L80-I84 PolarHBondContact O-N 2.56Å
81E88.6Confident88.8Confident100 Ų10050.4 Ų50.447%0.46724%0.236SC..Hα-helixtrans-59.4-29.1179.3-70.4174161.100113.5H77 N78 D79 P85H77-E81 IonicContact CD2-OE1 3.22Å; H77-E81 PolarHBondContact CD2-OE1 3.47Å; H77-E81 VanDerWaalsContact CD2-OE1 3.27Å; H77-E81 IonicContact NE2-OE1 2.86Å; H77-E81 PolarHBondContact NE2-OE1 2.81Å; H77-E81 WeakPolarHBondContact O-CG 3.38Å; H77-E81 PolarHBondContact O-N 3.41Å; N78-E81 PolarHBondContact O-N 3.47Å; D79-E81 PolarHBondContact O-N 3.22Å; E81-P85 WeakPolarHBondContact O-CD 3.36Å; E81-P85 WeakPolarHBondContact O-CG 3.23Å
82N88.5Confident88.9Confident3 Ų351.6 Ų51.62%0.01625%0.246CC..Hα-helixtrans-102.7-40.4-176-74.3-87.5000113.8N78 D79 L80 F86 Y134 M138N78-N82 PolarHBondContact O-N 3.07Å; N78-N82 PolarHBondContact O-ND2 3.04Å; N78-N82 PolarHBondContact OD1-ND2 3.34Å; D79-N82 PolarHBondContact O-N 3.24Å; L80-N82 PolarHBondContact O-N 2.88Å; N82-F86 WeakPolarHBondContact O-CB 3.42Å; N82-F86 PolarHBondContact O-N 3.35Å; N82-Y134 WeakPolarHBondContact ND2-CE2 3.42Å; N82-M138 PolarHBondContact OD1-SD 2.63Å
83I89.3Confident88.8Confident4 Ų451.9 Ų51.92%0.02125%0.247CC..Hα-helixtrans-72.3-37.3-175.4-62.7171.3000110.1V23 M27 D79 F86 F87V23-I83 HydrophobicContact CG1-CB 4.2Å; V23-I83 HydrophobicContact CG1-CD1 3.39Å; V23-I83 HydrophobicContact CG1-CG1 3.41Å; V23-I83 VanDerWaalsContact CG1-CG1 3.41Å; V23-I83 HydrophobicContact CG1-CG2 3.78Å; M27-I83 HydrophobicContact CB-CD1 3.82Å; M27-I83 HydrophobicContact CG-CD1 4.16Å; M27-I83 HydrophobicContact SD-CB 4.36Å; M27-I83 HydrophobicContact SD-CD1 3.98Å; M27-I83 HydrophobicContact SD-CG2 4.43Å; D79-I83 HydrophobicContact CB-CD1 3.76Å; D79-I83 WeakPolarHBondContact O-CB 3.45Å; D79-I83 WeakPolarHBondContact O-CG1 3.37Å; D79-I83 PolarHBondContact O-N 2.7Å; I83-F86 PolarHBondContact O-N 3.25Å; I83-F87 WeakPolarHBondContact O-CB 3.29Å; I83-F87 PolarHBondContact O-N 3.12Å
84I89.9Confident88.6Confident80 Ų8048.2 Ų48.241%0.4123%0.23SC..Hα-helixtrans-61.9-53.6179.2-64.2170.5000110.6L80 F86 F87 F88L80-I84 HydrophobicContact CB-CD1 4.16Å; L80-I84 HydrophobicContact CD2-CD1 4.04Å; L80-I84 VanDerWaalsContact O-CB 3.3Å; L80-I84 WeakPolarHBondContact O-CB 3.49Å; L80-I84 WeakPolarHBondContact O-CD1 3.18Å; L80-I84 WeakPolarHBondContact O-CG1 3.13Å; L80-I84 PolarHBondContact O-N 2.56Å; I84-F86 VanDerWaalsContact C-N 3.33Å; I84-F86 PolarHBondContact O-N 2.67Å; I84-F87 PolarHBondContact O-N 3.16Å; I84-F88 HydrophobicContact CG2-CD2 3.83Å; I84-F88 HydrophobicContact CG2-CE2 3.55Å; I84-F88 WeakPolarHBondContact O-CD2 3.34Å; I84-F88 PolarHBondContact O-N 3.48Å; I84-F88 VanDerWaalsContact O-N 3.17Å
85P89.6Confident88.4Confident52 Ų5247.6 Ų47.634%0.33824%0.235SC..Hα-helixtrans-59.2-40.5174.6-26.735.9000113.7E81 F87 F88 I89 T141E81-P85 WeakPolarHBondContact O-CD 3.36Å; E81-P85 WeakPolarHBondContact O-CG 3.23Å; P85-F87 VanDerWaalsContact C-N 3.31Å; P85-F87 PolarHBondContact O-N 2.66Å; P85-F88 PolarHBondContact O-N 2.92Å; P85-I89 HydrophobicContact CB-CD1 4.48Å; P85-I89 WeakPolarHBondContact O-CB 3.46Å; P85-I89 WeakPolarHBondContact O-CG1 3.48Å; P85-I89 PolarHBondContact O-N 3.43Å; P85-T141 HydrophobicContact CB-CG2 4.28Å
86F89.6Confident88Confident1 Ų149.6 Ų49.60%0.00425%0.249CC..Hα-helixtrans-60.9-40.3176.4171.7-91.6000112.2F16 N82 I83 I84 G90 F107 F110 M144F16-F86 HydrophobicContact CE2-CE1 4.12Å; F16-F86 HydrophobicContact CE2-CZ 4.49Å; N82-F86 WeakPolarHBondContact O-CB 3.42Å; N82-F86 PolarHBondContact O-N 3.35Å; I83-F86 PolarHBondContact O-N 3.25Å; I84-F86 VanDerWaalsContact C-N 3.33Å; I84-F86 PolarHBondContact O-N 2.67Å; F86-G90 VanDerWaalsContact O-CA 3.26Å; F86-G90 WeakPolarHBondContact O-CA 3.23Å; F86-G90 PolarHBondContact O-N 3.15Å; F86-F107 AromaticContact CE2-CD1 3.95Å; F86-F107 HydrophobicContact CE2-CD1 3.95Å; F86-F107 AromaticContact CZ-CD1 3.69Å; F86-F107 HydrophobicContact CZ-CD1 3.69Å; F86-F107 HydrophobicContact CZ-CE1 4.35Å; F86-F110 HydrophobicContact CB-CD1 4.31Å; F86-F110 HydrophobicContact CB-CD2 4.41Å; F86-F110 HydrophobicContact CB-CE1 3.6Å; F86-F110 HydrophobicContact CB-CE2 3.74Å; F86-F110 HydrophobicContact CB-CZ 3.28Å; F86-F110 AromaticContact CD1-CD1 3.76Å; F86-F110 HydrophobicContact CD1-CD1 3.76Å; F86-F110 AromaticContact CD1-CE1 3.44Å; F86-F110 HydrophobicContact CD1-CE1 3.44Å; F86-F110 VanDerWaalsContact CD1-CE1 3.44Å; F86-F110 HydrophobicContact CD1-CZ 4.1Å; F86-F110 HydrophobicContact CD2-CB 4.03Å; F86-F110 AromaticContact CD2-CD1 3.3Å; F86-F110 HydrophobicContact CD2-CD1 3.3Å; F86-F110 AromaticContact CD2-CD2 3.61Å; F86-F110 HydrophobicContact CD2-CD2 3.61Å; F86-F110 AromaticContact CD2-CE1 3.51Å; F86-F110 HydrophobicContact CD2-CE1 3.51Å; F86-F110 AromaticContact CD2-CE2 3.83Å; F86-F110 HydrophobicContact CD2-CE2 3.83Å; F86-F110 AromaticContact CD2-CG 3.34Å; F86-F110 HydrophobicContact CD2-CG 3.34Å; F86-F110 AromaticContact CD2-CZ 3.79Å; F86-F110 HydrophobicContact CD2-CZ 3.79Å; F86-F110 AromaticContact CE1-CD1 3.83Å; F86-F110 HydrophobicContact CE1-CD1 3.83Å; F86-F110 AromaticContact CE1-CE1 3.95Å; F86-F110 HydrophobicContact CE1-CE1 3.95Å; F86-F110 HydrophobicContact CE2-CB 3.68Å; F86-F110 AromaticContact CE2-CD1 3.37Å; F86-F110 HydrophobicContact CE2-CD1 3.37Å; F86-F110 HydrophobicContact CE2-CD2 4.17Å; F86-F110 HydrophobicContact CE2-CE1 4.02Å; F86-F110 AromaticContact CE2-CG 3.46Å; F86-F110 HydrophobicContact CE2-CG 3.46Å; F86-F110 VanDerWaalsContact CE2-CG 3.46Å; F86-F110 AromaticContact CG-CD1 3.51Å; F86-F110 HydrophobicContact CG-CD1 3.51Å; F86-F110 HydrophobicContact CG-CD2 4.17Å; F86-F110 AromaticContact CG-CE1 3.2Å; F86-F110 HydrophobicContact CG-CE1 3.2Å; F86-F110 AromaticContact CG-CE2 3.94Å; F86-F110 HydrophobicContact CG-CE2 3.94Å; F86-F110 AromaticContact CG-CG 3.99Å; F86-F110 HydrophobicContact CG-CG 3.99Å; F86-F110 AromaticContact CG-CZ 3.45Å; F86-F110 HydrophobicContact CG-CZ 3.45Å; F86-F110 VanDerWaalsContact CG-CZ 3.45Å; F86-F110 HydrophobicContact CZ-CB 4.4Å; F86-F110 AromaticContact CZ-CD1 3.65Å; F86-F110 HydrophobicContact CZ-CD1 3.65Å; F86-F110 HydrophobicContact CZ-CE1 4.22Å; F86-F110 HydrophobicContact CZ-CG 4.18Å; F86-M144 HydrophobicContact CD2-CE 3.54Å; F86-M144 HydrophobicContact CE2-CE 3.61Å; F86-M144 HydrophobicContact CE2-SD 4.41Å
87F89.9Confident87.2Confident87 Ų8749.4 Ų49.438%0.38226%0.263SS..Hα-helixtrans-64.5-46.1179.1-167.7-91.5000111F16 A20 I83 I84 P85 L91F16-F87 HydrophobicContact CZ-CD2 4.3Å; F16-F87 WeakPolarHBondContact CZ-O 2.92Å; A20-F87 HydrophobicContact CB-CD2 3.98Å; A20-F87 HydrophobicContact CB-CE2 3.94Å; I83-F87 WeakPolarHBondContact O-CB 3.29Å; I83-F87 PolarHBondContact O-N 3.12Å; I84-F87 PolarHBondContact O-N 3.16Å; P85-F87 VanDerWaalsContact C-N 3.31Å; P85-F87 PolarHBondContact O-N 2.66Å; F87-L91 WeakPolarHBondContact O-CB 3.25Å; F87-L91 PolarHBondContact O-N 3.46Å
88F90.3Very high86.7Confident134 Ų13445.4 Ų45.459%0.58825%0.246SC*.Hα-helixtrans-65.8-53.4177.7-74.7-68.1000112.5I84 P85 L91 L92I84-F88 HydrophobicContact CG2-CD2 3.83Å; I84-F88 HydrophobicContact CG2-CE2 3.55Å; I84-F88 WeakPolarHBondContact O-CD2 3.34Å; I84-F88 PolarHBondContact O-N 3.48Å; I84-F88 VanDerWaalsContact O-N 3.17Å; P85-F88 PolarHBondContact O-N 2.92Å; F88-L91 PolarHBondContact O-N 3.19Å; F88-L92 WeakPolarHBondContact O-CG 3.49Å; F88-L92 PolarHBondContact O-N 3.43Å; F88-L92 VanDerWaalsContact O-N 3.1Å
89I89.6Confident86.4Confident37 Ų3752.1 Ų52.119%0.1927%0.274CS..Hα-helixtrans-66.1-41.9-178.2-69.6160.7000110.5P85 L92 Y93 T141 M144 A145P85-I89 HydrophobicContact CB-CD1 4.48Å; P85-I89 WeakPolarHBondContact O-CB 3.46Å; P85-I89 WeakPolarHBondContact O-CG1 3.48Å; P85-I89 PolarHBondContact O-N 3.43Å; I89-L92 PolarHBondContact O-N 2.97Å; I89-Y93 WeakPolarHBondContact O-CB 3.31Å; I89-Y93 PolarHBondContact O-N 3.29Å; I89-T141 HydrophobicContact CD1-CG2 3.54Å; I89-M144 HydrophobicContact CG2-CB 3.71Å; I89-A145 HydrophobicContact CD1-CB 3.99Å; I89-A145 HydrophobicContact CG1-CB 4.41Å; I89-A145 HydrophobicContact CG2-CB 4.08Å
90G87.1Confident86.1Confident0 Ų054.5 Ų54.50%029%0.287CS..Hα-helixtrans-66.2-36.6179.700000112.7F86 Y93 A94F86-G90 VanDerWaalsContact O-CA 3.26Å; F86-G90 WeakPolarHBondContact O-CA 3.23Å; F86-G90 PolarHBondContact O-N 3.15Å; G90-Y93 PolarHBondContact O-N 2.91Å; G90-A94 WeakPolarHBondContact O-CB 3.18Å; G90-A94 PolarHBondContact O-N 2.73Å
91L88.6Confident85.9Confident55 Ų5556 Ų5629%0.28830%0.302SS..Hα-helixtrans-65-50.4174.217863.7000110.8F13 F16 F87 F88 Y93 A94 L95F13-L91 HydrophobicContact CE2-CD1 3.83Å; F16-L91 HydrophobicContact CE1-CB 3.83Å; F16-L91 HydrophobicContact CE1-CD1 3.97Å; F16-L91 HydrophobicContact CZ-CB 3.91Å; F16-L91 VanDerWaalsContact CZ-N 3.28Å; F87-L91 WeakPolarHBondContact O-CB 3.25Å; F87-L91 PolarHBondContact O-N 3.46Å; F88-L91 PolarHBondContact O-N 3.19Å; L91-Y93 VanDerWaalsContact C-N 3.29Å; L91-Y93 PolarHBondContact O-N 3.45Å; L91-A94 PolarHBondContact O-N 3.15Å; L91-L95 HydrophobicContact CD1-CD1 4.48Å; L91-L95 HydrophobicContact CG-CD1 4.41Å; L91-L95 WeakPolarHBondContact O-CG 3.32Å; L91-L95 PolarHBondContact O-N 3.47Å; L91-L95 VanDerWaalsContact O-N 3.14Å
92L87.8Confident85.7Confident91 Ų9154.6 Ų54.648%0.47630%0.297SS..Hα-helixtrans-60.7-42.4177.5-65.9173.8000110.9F88 I89 A94 L95 S96 L148F88-L92 WeakPolarHBondContact O-CG 3.49Å; F88-L92 PolarHBondContact O-N 3.43Å; F88-L92 VanDerWaalsContact O-N 3.1Å; I89-L92 PolarHBondContact O-N 2.97Å; L92-A94 PolarHBondContact O-N 2.6Å; L92-L95 PolarHBondContact O-N 2.83Å; L92-S96 PolarHBondContact O-N 3.46Å; L92-S96 PolarHBondContact O-OG 3.24Å; L92-S96 VanDerWaalsContact O-OG 3.06Å; L92-L148 HydrophobicContact CB-CD1 3.43Å; L92-L148 VanDerWaalsContact CB-CD1 3.43Å; L92-L148 HydrophobicContact CB-CD2 4.43Å
93Y85.2Confident85.6Confident9 Ų954.5 Ų54.54%0.03530%0.296CS..Hα-helixtrans-63.4-41.6177.7-174.4-108.3000112.1I89 G90 L91 L95 S96 P98 A103 F107 M144 N147 L148I89-Y93 WeakPolarHBondContact O-CB 3.31Å; I89-Y93 PolarHBondContact O-N 3.29Å; G90-Y93 PolarHBondContact O-N 2.91Å; L91-Y93 VanDerWaalsContact C-N 3.29Å; L91-Y93 PolarHBondContact O-N 3.45Å; Y93-L95 VanDerWaalsContact C-N 3.26Å; Y93-L95 PolarHBondContact O-N 3.48Å; Y93-S96 PolarHBondContact O-N 3.5Å; Y93-P98 HydrophobicContact CD1-CB 4.42Å; Y93-P98 HydrophobicContact CD1-CG 3.78Å; Y93-P98 HydrophobicContact CD2-CG 4.43Å; Y93-P98 HydrophobicContact CE1-CB 3.7Å; Y93-P98 HydrophobicContact CE1-CG 3.45Å; Y93-P98 VanDerWaalsContact CE1-CG 3.45Å; Y93-P98 HydrophobicContact CE2-CB 3.8Å; Y93-P98 HydrophobicContact CE2-CG 4.13Å; Y93-P98 HydrophobicContact CG-CG 4.27Å; Y93-P98 WeakPolarHBondContact O-CD 3.29Å; Y93-P98 VanDerWaalsContact O-CG 3.32Å; Y93-P98 WeakPolarHBondContact O-CG 3.23Å; Y93-P98 WeakPolarHBondContact OH-CB 3.44Å; Y93-A103 HydrophobicContact CE1-CB 3.91Å; Y93-F107 HydrophobicContact CD1-CZ 4.49Å; Y93-M144 HydrophobicContact CD1-CG 4.23Å; Y93-M144 HydrophobicContact CD1-SD 4.27Å; Y93-M144 HydrophobicContact CD2-CB 4.48Å; Y93-M144 HydrophobicContact CE1-CG 4.38Å; Y93-M144 HydrophobicContact CG-CB 4.34Å; Y93-M144 HydrophobicContact CG-CG 4.44Å; Y93-N147 HydrophobicContact CD2-CB 4.49Å; Y93-N147 HydrophobicContact CE2-CB 3.75Å; Y93-L148 VanDerWaalsContact N-CD1 3.33Å
94A85.4Confident85.5Confident1 Ų156.2 Ų56.21%0.00831%0.305CS..Hα-helixtrans-63-34.4175.800000112.3V12 F13 F16 G90 L91 L92V12-A94 HydrophobicContact CG1-CB 4.23Å; F13-A94 HydrophobicContact CD2-CB 4.39Å; F16-A94 HydrophobicContact CB-CB 4.07Å; F16-A94 HydrophobicContact CD1-CB 4.41Å; F16-A94 HydrophobicContact CG-CB 4.23Å; G90-A94 WeakPolarHBondContact O-CB 3.18Å; G90-A94 PolarHBondContact O-N 2.73Å; L91-A94 PolarHBondContact O-N 3.15Å; L92-A94 PolarHBondContact O-N 2.6Å
95L83.1Confident85.5Confident101 Ų10157.3 Ų57.353%0.52931%0.311SS..Hα-helixtrans-75.4-24.9177.2-65.9172.2000113.1L7 L91 L92 Y93 G97L7-L95 HydrophobicContact CD2-CD2 4.06Å; L91-L95 HydrophobicContact CD1-CD1 4.48Å; L91-L95 HydrophobicContact CG-CD1 4.41Å; L91-L95 WeakPolarHBondContact O-CG 3.32Å; L91-L95 PolarHBondContact O-N 3.47Å; L91-L95 VanDerWaalsContact O-N 3.14Å; L92-L95 PolarHBondContact O-N 2.83Å; Y93-L95 VanDerWaalsContact C-N 3.26Å; Y93-L95 PolarHBondContact O-N 3.48Å; L95-G97 PolarHBondContact O-N 2.99Å
96S81.1Confident85.4Confident42 Ų4256 Ų5629%0.29430%0.3SS..THydrogen-bonded Turntrans-73.11.1176.6-57.40000114.7L92 Y93 L148L92-S96 PolarHBondContact O-N 3.46Å; L92-S96 PolarHBondContact O-OG 3.24Å; L92-S96 VanDerWaalsContact O-OG 3.06Å; Y93-S96 PolarHBondContact O-N 3.5Å; S96-L148 WeakPolarHBondContact OG-CD1 3.25Å
97G73.2Confident85.4Confident53 Ų5355.9 Ų55.955%0.54630%0.3SS..  trans63.745.4177.800000116.3L95L95-G97 PolarHBondContact O-N 2.99Å
98P78.9Confident85.4Confident24 Ų2458.5 Ų58.516%0.15631%0.307CS..  trans-71.1164.2179.631.9-37.4000111.9V12 Y93 L100 A103V12-P98 HydrophobicContact CG1-CG 4.04Å; Y93-P98 HydrophobicContact CD1-CB 4.42Å; Y93-P98 HydrophobicContact CD1-CG 3.78Å; Y93-P98 HydrophobicContact CD2-CG 4.43Å; Y93-P98 HydrophobicContact CE1-CB 3.7Å; Y93-P98 HydrophobicContact CE1-CG 3.45Å; Y93-P98 VanDerWaalsContact CE1-CG 3.45Å; Y93-P98 HydrophobicContact CE2-CB 3.8Å; Y93-P98 HydrophobicContact CE2-CG 4.13Å; Y93-P98 HydrophobicContact CG-CG 4.27Å; Y93-P98 WeakPolarHBondContact O-CD 3.29Å; Y93-P98 VanDerWaalsContact O-CG 3.32Å; Y93-P98 WeakPolarHBondContact O-CG 3.23Å; Y93-P98 WeakPolarHBondContact OH-CB 3.44Å; P98-L100 PolarHBondContact O-N 3.31Å; P98-A103 HydrophobicContact CG-CB 4.28Å
99K83.1Confident85.5Confident165 Ų16554.9 Ų54.972%0.71730%0.296SS*.  trans-58.6124172.7-69.1177.5-179.21730110.5S101 I102 A103K99-S101 VanDerWaalsContact C-N 3.33Å; K99-S101 PolarHBondContact O-N 3.26Å; K99-I102 HydrophobicContact CB-CD1 4.17Å; K99-I102 HydrophobicContact CB-CG1 4.28Å; K99-I102 HydrophobicContact CD-CD1 4.16Å; K99-I102 PolarHBondContact O-N 2.95Å; K99-A103 PolarHBondContact O-N 3.5Å; K99-A103 VanDerWaalsContact O-N 3.12Å
100L81.1Confident85.6Confident51 Ų5153.1 Ų53.127%0.26729%0.287SS..Hα-helixtrans-50.5-47.4-177179.969000113.6E11 V12 P98 I102 A103 L104E11-L100 HydrophobicContact CB-CD1 3.79Å; E11-L100 HydrophobicContact CB-CD2 4.1Å; E11-L100 WeakPolarHBondContact OE2-CD2 3.47Å; V12-L100 HydrophobicContact CB-CD1 4.39Å; V12-L100 HydrophobicContact CG2-CB 4.23Å; V12-L100 HydrophobicContact CG2-CD1 3.79Å; P98-L100 PolarHBondContact O-N 3.31Å; L100-I102 VanDerWaalsContact C-N 3.27Å; L100-I102 PolarHBondContact O-N 2.99Å; L100-A103 PolarHBondContact O-N 2.84Å; L100-L104 HydrophobicContact CD1-CD1 4.16Å; L100-L104 HydrophobicContact CD1-CG 4.19Å; L100-L104 HydrophobicContact CD2-CD1 4.46Å; L100-L104 HydrophobicContact CG-CD1 3.9Å; L100-L104 HydrophobicContact CG-CG 4.33Å; L100-L104 WeakPolarHBondContact O-CB 3.39Å; L100-L104 WeakPolarHBondContact O-CG 3.42Å; L100-L104 PolarHBondContact O-N 2.89Å
101S84.1Confident85.7Confident86 Ų8653.5 Ų53.560%0.60129%0.289SS*.Hα-helixtrans-59.8-38.7-177.9-49.90000112.5K99 I105K99-S101 VanDerWaalsContact C-N 3.33Å; K99-S101 PolarHBondContact O-N 3.26Å; S101-I105 WeakPolarHBondContact O-CD1 3.45Å; S101-I105 VanDerWaalsContact O-CG1 3.32Å; S101-I105 WeakPolarHBondContact O-CG1 3.44Å; S101-I105 PolarHBondContact O-N 2.96Å
102I85.5Confident85.8Confident71 Ų7153.7 Ų53.736%0.36430%0.299SS..Hα-helixtrans-71.5-45.8179.7-61.8178.8000109.6K99 L100 L104 I105 H106K99-I102 HydrophobicContact CB-CD1 4.17Å; K99-I102 HydrophobicContact CB-CG1 4.28Å; K99-I102 HydrophobicContact CD-CD1 4.16Å; K99-I102 PolarHBondContact O-N 2.95Å; L100-I102 VanDerWaalsContact C-N 3.27Å; L100-I102 PolarHBondContact O-N 2.99Å; I102-L104 VanDerWaalsContact C-N 3.35Å; I102-L104 PolarHBondContact O-N 3.19Å; I102-I105 PolarHBondContact O-N 3.32Å; I102-H106 VanDerWaalsContact CG2-CE1 3.43Å; I102-H106 WeakPolarHBondContact CG2-CE1 3.47Å; I102-H106 PolarHBondContact O-N 3.46Å; I102-H106 VanDerWaalsContact O-N 3.12Å; I102-H106 PolarHBondContact O-ND1 2.77Å
103A85.6Confident85.9Confident1 Ų149.8 Ų49.81%0.00828%0.279CS..Hα-helixtrans-60-44178.100000112.1V12 Y93 P98 K99 L100 I105 H106 F107V12-A103 HydrophobicContact CG1-CB 3.75Å; Y93-A103 HydrophobicContact CE1-CB 3.91Å; P98-A103 HydrophobicContact CG-CB 4.28Å; K99-A103 PolarHBondContact O-N 3.5Å; K99-A103 VanDerWaalsContact O-N 3.12Å; L100-A103 PolarHBondContact O-N 2.84Å; A103-I105 VanDerWaalsContact C-N 3.33Å; A103-I105 PolarHBondContact O-N 3.47Å; A103-H106 PolarHBondContact O-N 3.28Å; A103-F107 HydrophobicContact CB-CE2 3.93Å; A103-F107 HydrophobicContact CB-CZ 4.22Å; A103-F107 VanDerWaalsContact O-CD2 3.23Å; A103-F107 WeakPolarHBondContact O-CD2 3.17Å; A103-F107 WeakPolarHBondContact O-CG 3.49Å; A103-F107 PolarHBondContact O-N 3.01Å
104L87.4Confident86Confident39 Ų3949.4 Ų49.420%0.20428%0.277CS..Hα-helixtrans-59.1-41.9176.7-77.6172.9000112.7A15 Y19 L100 I102 F107 R108A15-L104 HydrophobicContact CB-CD2 3.54Å; Y19-L104 HydrophobicContact CE2-CD2 4.13Å; L100-L104 HydrophobicContact CD1-CD1 4.16Å; L100-L104 HydrophobicContact CD1-CG 4.19Å; L100-L104 HydrophobicContact CD2-CD1 4.46Å; L100-L104 HydrophobicContact CG-CD1 3.9Å; L100-L104 HydrophobicContact CG-CG 4.33Å; L100-L104 WeakPolarHBondContact O-CB 3.39Å; L100-L104 WeakPolarHBondContact O-CG 3.42Å; L100-L104 PolarHBondContact O-N 2.89Å; I102-L104 VanDerWaalsContact C-N 3.35Å; I102-L104 PolarHBondContact O-N 3.19Å; L104-F107 PolarHBondContact O-N 3.28Å; L104-R108 VanDerWaalsContact O-CB 3.28Å; L104-R108 WeakPolarHBondContact O-CB 3.26Å; L104-R108 WeakPolarHBondContact O-CG 3.33Å; L104-R108 PolarHBondContact O-N 2.93Å
105I89.5Confident86.2Confident103 Ų10352.3 Ų52.353%0.52829%0.292SS..Hα-helixtrans-62.8-46.9176.9-69.5166.5000110.1S101 I102 A103 F107 R108 V109S101-I105 WeakPolarHBondContact O-CD1 3.45Å; S101-I105 VanDerWaalsContact O-CG1 3.32Å; S101-I105 WeakPolarHBondContact O-CG1 3.44Å; S101-I105 PolarHBondContact O-N 2.96Å; I102-I105 PolarHBondContact O-N 3.32Å; A103-I105 VanDerWaalsContact C-N 3.33Å; A103-I105 PolarHBondContact O-N 3.47Å; I105-F107 PolarHBondContact O-N 3.34Å; I105-R108 PolarHBondContact O-N 3.42Å; I105-V109 HydrophobicContact CG2-CG2 4.09Å; I105-V109 WeakPolarHBondContact O-CB 3.33Å; I105-V109 VanDerWaalsContact O-CG2 3.23Å; I105-V109 WeakPolarHBondContact O-CG2 3.33Å; I105-V109 PolarHBondContact O-N 3.49Å
106H88.1Confident86.4Confident24 Ų2452.5 Ų52.511%0.11129%0.289CS..Hα-helixtrans-59.2-47.7178.5-7383.1000111.8I102 A103 R108 F110 S143 M144I102-H106 VanDerWaalsContact CG2-CE1 3.43Å; I102-H106 WeakPolarHBondContact CG2-CE1 3.47Å; I102-H106 PolarHBondContact O-N 3.46Å; I102-H106 VanDerWaalsContact O-N 3.12Å; I102-H106 PolarHBondContact O-ND1 2.77Å; A103-H106 PolarHBondContact O-N 3.28Å; H106-R108 PolarHBondContact O-N 3.44Å; H106-F110 VanDerWaalsContact O-CB 3.28Å; H106-F110 WeakPolarHBondContact O-CB 3.49Å; H106-F110 PolarHBondContact O-N 3.32Å; H106-S143 WeakPolarHBondContact NE2-CB 3.34Å; H106-S143 PolarHBondContact NE2-OG 3.37Å; H106-M144 HydrophobicContact CB-CG 3.99Å; H106-M144 HydrophobicContact CB-SD 3.78Å
107F88.9Confident86.7Confident0 Ų050.9 Ų50.90%028%0.277CS..Hα-helixtrans-65.2-40.7-180-56.9-30.6000112.6V12 A15 F16 Y19 F86 Y93 A103 L104 I105 T111 M144V12-F107 HydrophobicContact CG1-CE2 4.41Å; A15-F107 HydrophobicContact CB-CD2 4.41Å; F16-F107 HydrophobicContact CB-CD2 4.36Å; F16-F107 HydrophobicContact CB-CE1 4.45Å; F16-F107 HydrophobicContact CB-CE2 3.64Å; F16-F107 HydrophobicContact CB-CZ 3.7Å; F16-F107 HydrophobicContact CD2-CD1 4.29Å; F16-F107 AromaticContact CD2-CE1 3.7Å; F16-F107 HydrophobicContact CD2-CE1 3.7Å; F16-F107 HydrophobicContact CD2-CE2 4.4Å; F16-F107 AromaticContact CD2-CZ 3.77Å; F16-F107 HydrophobicContact CD2-CZ 3.77Å; F16-F107 HydrophobicContact CG-CZ 4.15Å; Y19-F107 HydrophobicContact CD2-CB 3.53Å; Y19-F107 HydrophobicContact CD2-CD2 4.27Å; Y19-F107 HydrophobicContact CD2-CG 4.31Å; Y19-F107 HydrophobicContact CE2-CB 4.2Å; Y19-F107 HydrophobicContact CG-CB 3.85Å; F86-F107 AromaticContact CE2-CD1 3.95Å; F86-F107 HydrophobicContact CE2-CD1 3.95Å; F86-F107 AromaticContact CZ-CD1 3.69Å; F86-F107 HydrophobicContact CZ-CD1 3.69Å; F86-F107 HydrophobicContact CZ-CE1 4.35Å; Y93-F107 HydrophobicContact CD1-CZ 4.49Å; A103-F107 HydrophobicContact CB-CE2 3.93Å; A103-F107 HydrophobicContact CB-CZ 4.22Å; A103-F107 VanDerWaalsContact O-CD2 3.23Å; A103-F107 WeakPolarHBondContact O-CD2 3.17Å; A103-F107 WeakPolarHBondContact O-CG 3.49Å; A103-F107 PolarHBondContact O-N 3.01Å; L104-F107 PolarHBondContact O-N 3.28Å; I105-F107 PolarHBondContact O-N 3.34Å; F107-T111 VanDerWaalsContact O-CB 3.29Å; F107-T111 WeakPolarHBondContact O-CB 3.42Å; F107-T111 PolarHBondContact O-N 2.77Å; F107-T111 PolarHBondContact O-OG1 3.01Å; F107-M144 HydrophobicContact CD1-SD 4.2Å; F107-M144 HydrophobicContact CE1-SD 3.85Å
108R90.9Very high87.2Confident141 Ų14148.7 Ų48.753%0.53225%0.253SS..Hα-helixtrans-66.4-48.1177.7-75.4173.5179.7-175.51.7112Y19 L104 I105 H106 T111 A112Y19-R108 HydrophobicContact CE1-CG 3.95Å; Y19-R108 HydrophobicContact CE2-CG 4.25Å; Y19-R108 VanDerWaalsContact OH-CG 3.26Å; Y19-R108 WeakPolarHBondContact OH-CG 3.38Å; Y19-R108 PolarHBondContact OH-NE 3.1Å; L104-R108 VanDerWaalsContact O-CB 3.28Å; L104-R108 WeakPolarHBondContact O-CB 3.26Å; L104-R108 WeakPolarHBondContact O-CG 3.33Å; L104-R108 PolarHBondContact O-N 2.93Å; I105-R108 PolarHBondContact O-N 3.42Å; H106-R108 PolarHBondContact O-N 3.44Å; R108-T111 PolarHBondContact O-N 3.33Å; R108-A112 VanDerWaalsContact O-CB 3.26Å; R108-A112 WeakPolarHBondContact O-CB 3.39Å; R108-A112 PolarHBondContact O-N 3Å
109V91.1Very high87.5Confident58 Ų5853.3 Ų53.335%0.35227%0.271SS..Hα-helixtrans-63.8-44-179.4173.70000110.2I105 S113 T140I105-V109 HydrophobicContact CG2-CG2 4.09Å; I105-V109 WeakPolarHBondContact O-CB 3.33Å; I105-V109 VanDerWaalsContact O-CG2 3.23Å; I105-V109 WeakPolarHBondContact O-CG2 3.33Å; I105-V109 PolarHBondContact O-N 3.49Å; V109-S113 WeakPolarHBondContact O-CB 3.49Å; V109-S113 PolarHBondContact O-N 3Å; V109-T140 HydrophobicContact CB-CG2 3.96Å; V109-T140 HydrophobicContact CG1-CG2 3.55Å
110F91.4Very high87.6Confident0 Ų045.5 Ų45.50%024%0.237CC..Hα-helixtrans-59.8-52.1175.6-178.6-97.4000111.4V23 F86 H106 A112 S113 R114V23-F110 HydrophobicContact CG1-CE1 4.12Å; V23-F110 HydrophobicContact CG2-CE1 4.49Å; F86-F110 HydrophobicContact CB-CD1 4.31Å; F86-F110 HydrophobicContact CB-CD2 4.41Å; F86-F110 HydrophobicContact CB-CE1 3.6Å; F86-F110 HydrophobicContact CB-CE2 3.74Å; F86-F110 HydrophobicContact CB-CZ 3.28Å; F86-F110 AromaticContact CD1-CD1 3.76Å; F86-F110 HydrophobicContact CD1-CD1 3.76Å; F86-F110 AromaticContact CD1-CE1 3.44Å; F86-F110 HydrophobicContact CD1-CE1 3.44Å; F86-F110 VanDerWaalsContact CD1-CE1 3.44Å; F86-F110 HydrophobicContact CD1-CZ 4.1Å; F86-F110 HydrophobicContact CD2-CB 4.03Å; F86-F110 AromaticContact CD2-CD1 3.3Å; F86-F110 HydrophobicContact CD2-CD1 3.3Å; F86-F110 AromaticContact CD2-CD2 3.61Å; F86-F110 HydrophobicContact CD2-CD2 3.61Å; F86-F110 AromaticContact CD2-CE1 3.51Å; F86-F110 HydrophobicContact CD2-CE1 3.51Å; F86-F110 AromaticContact CD2-CE2 3.83Å; F86-F110 HydrophobicContact CD2-CE2 3.83Å; F86-F110 AromaticContact CD2-CG 3.34Å; F86-F110 HydrophobicContact CD2-CG 3.34Å; F86-F110 AromaticContact CD2-CZ 3.79Å; F86-F110 HydrophobicContact CD2-CZ 3.79Å; F86-F110 AromaticContact CE1-CD1 3.83Å; F86-F110 HydrophobicContact CE1-CD1 3.83Å; F86-F110 AromaticContact CE1-CE1 3.95Å; F86-F110 HydrophobicContact CE1-CE1 3.95Å; F86-F110 HydrophobicContact CE2-CB 3.68Å; F86-F110 AromaticContact CE2-CD1 3.37Å; F86-F110 HydrophobicContact CE2-CD1 3.37Å; F86-F110 HydrophobicContact CE2-CD2 4.17Å; F86-F110 HydrophobicContact CE2-CE1 4.02Å; F86-F110 AromaticContact CE2-CG 3.46Å; F86-F110 HydrophobicContact CE2-CG 3.46Å; F86-F110 VanDerWaalsContact CE2-CG 3.46Å; F86-F110 AromaticContact CG-CD1 3.51Å; F86-F110 HydrophobicContact CG-CD1 3.51Å; F86-F110 HydrophobicContact CG-CD2 4.17Å; F86-F110 AromaticContact CG-CE1 3.2Å; F86-F110 HydrophobicContact CG-CE1 3.2Å; F86-F110 AromaticContact CG-CE2 3.94Å; F86-F110 HydrophobicContact CG-CE2 3.94Å; F86-F110 AromaticContact CG-CG 3.99Å; F86-F110 HydrophobicContact CG-CG 3.99Å; F86-F110 AromaticContact CG-CZ 3.45Å; F86-F110 HydrophobicContact CG-CZ 3.45Å; F86-F110 VanDerWaalsContact CG-CZ 3.45Å; F86-F110 HydrophobicContact CZ-CB 4.4Å; F86-F110 AromaticContact CZ-CD1 3.65Å; F86-F110 HydrophobicContact CZ-CD1 3.65Å; F86-F110 HydrophobicContact CZ-CE1 4.22Å; F86-F110 HydrophobicContact CZ-CG 4.18Å; H106-F110 VanDerWaalsContact O-CB 3.28Å; H106-F110 WeakPolarHBondContact O-CB 3.49Å; H106-F110 PolarHBondContact O-N 3.32Å; F110-A112 PolarHBondContact O-N 3.45Å; F110-S113 WeakPolarHBondContact O-CB 3.45Å; F110-S113 PolarHBondContact O-N 3.26Å; F110-R114 HydrophobicContact CD1-CG 4.21Å; F110-R114 HydrophobicContact CD2-CG 4.49Å; F110-R114 HydrophobicContact CE1-CG 3.83Å; F110-R114 HydrophobicContact CE2-CG 4.11Å; F110-R114 HydrophobicContact CZ-CG 3.76Å; F110-R114 WeakPolarHBondContact O-CG 3.44Å; F110-R114 PolarHBondContact O-N 2.94Å
111T90.2Very high87.6Confident8 Ų844.6 Ų44.65%0.04923%0.23CC..Hα-helixtrans-59.6-49-178.9-56.90000111.5Y19 I22 V23 F107 R108 S113 R114 I115Y19-T111 HydrophobicContact CD1-CG2 4.33Å; I22-T111 HydrophobicContact CG2-CG2 4Å; V23-T111 HydrophobicContact CG2-CG2 3.72Å; F107-T111 VanDerWaalsContact O-CB 3.29Å; F107-T111 WeakPolarHBondContact O-CB 3.42Å; F107-T111 PolarHBondContact O-N 2.77Å; F107-T111 PolarHBondContact O-OG1 3.01Å; R108-T111 PolarHBondContact O-N 3.33Å; T111-S113 PolarHBondContact O-N 2.99Å; T111-R114 PolarHBondContact O-N 3.13Å; T111-I115 HydrophobicContact CG2-CD1 3.8Å; T111-I115 HydrophobicContact CG2-CG1 4.46Å; T111-I115 VanDerWaalsContact O-CG1 3.3Å; T111-I115 WeakPolarHBondContact O-CG1 3.3Å; T111-I115 PolarHBondContact O-N 3.42Å
112A90.7Very high87.4Confident60 Ų6043.3 Ų43.350%0.49622%0.216SC..Hα-helixtrans-61.7-43.417900000111.8R108 F110 R114 I115 F116R108-A112 VanDerWaalsContact O-CB 3.26Å; R108-A112 WeakPolarHBondContact O-CB 3.39Å; R108-A112 PolarHBondContact O-N 3Å; F110-A112 PolarHBondContact O-N 3.45Å; A112-R114 VanDerWaalsContact C-N 3.34Å; A112-R114 PolarHBondContact O-N 3.43Å; A112-I115 PolarHBondContact O-N 2.87Å; A112-F116 VanDerWaalsContact O-CB 3.32Å; A112-F116 WeakPolarHBondContact O-CB 3.24Å; A112-F116 PolarHBondContact O-N 2.83Å
113S89.7Confident87.2Confident9 Ų945.3 Ų45.36%0.06323%0.227CC..Hα-helixtrans-57.6-44.9174.7157.90000112V109 F110 T111 F116 H117 S133V109-S113 WeakPolarHBondContact O-CB 3.49Å; V109-S113 PolarHBondContact O-N 3Å; F110-S113 WeakPolarHBondContact O-CB 3.45Å; F110-S113 PolarHBondContact O-N 3.26Å; T111-S113 PolarHBondContact O-N 2.99Å; S113-F116 PolarHBondContact O-N 3.28Å; S113-H117 VanDerWaalsContact O-CB 3.25Å; S113-H117 WeakPolarHBondContact O-CB 3.34Å; S113-H117 PolarHBondContact O-N 2.86Å; S113-S133 PolarHBondContact OG-O 3.31Å
114R87.7Confident86.9Confident0 Ų047.8 Ų47.80%025%0.247CC..Hα-helixtrans-70.5-40.3-178.3-65.6-59.574.1-157.3-8.3112.8N78 F110 T111 A112 H117 S118 S133 Y134N78-R114 PolarHBondContact OD1-NH1 3.24Å; F110-R114 HydrophobicContact CD1-CG 4.21Å; F110-R114 HydrophobicContact CD2-CG 4.49Å; F110-R114 HydrophobicContact CE1-CG 3.83Å; F110-R114 HydrophobicContact CE2-CG 4.11Å; F110-R114 HydrophobicContact CZ-CG 3.76Å; F110-R114 WeakPolarHBondContact O-CG 3.44Å; F110-R114 PolarHBondContact O-N 2.94Å; T111-R114 PolarHBondContact O-N 3.13Å; A112-R114 VanDerWaalsContact C-N 3.34Å; A112-R114 PolarHBondContact O-N 3.43Å; R114-H117 VanDerWaalsContact NH2-CG 3.27Å; R114-H117 PolarHBondContact O-N 3.15Å; R114-S118 PolarHBondContact O-N 3.05Å; R114-S118 VanDerWaalsContact O-N 3.15Å; R114-S118 PolarHBondContact O-OG 2.9Å; R114-S133 PolarHBondContact NH2-O 3.35Å; R114-Y134 VanDerWaalsContact NH2-CA 3.34Å
115I87.9Confident86.5Confident63 Ų6350.6 Ų50.632%0.32326%0.258SS..Hα-helixtrans-60.3-51.4173.3-67171.2000109.3T111 A112 H117 S118 F119T111-I115 HydrophobicContact CG2-CD1 3.8Å; T111-I115 HydrophobicContact CG2-CG1 4.46Å; T111-I115 VanDerWaalsContact O-CG1 3.3Å; T111-I115 WeakPolarHBondContact O-CG1 3.3Å; T111-I115 PolarHBondContact O-N 3.42Å; A112-I115 PolarHBondContact O-N 2.87Å; I115-H117 PolarHBondContact O-N 3.49Å; I115-S118 WeakPolarHBondContact O-CB 3.38Å; I115-S118 PolarHBondContact O-N 3.4Å; I115-F119 HydrophobicContact CG2-CD2 3.76Å; I115-F119 HydrophobicContact CG2-CE2 3.53Å; I115-F119 VanDerWaalsContact O-CD2 3.23Å; I115-F119 WeakPolarHBondContact O-CD2 3.39Å; I115-F119 PolarHBondContact O-N 3.39Å; I115-F119 VanDerWaalsContact O-N 3.15Å
116F88.3Confident85.9Confident105 Ų10550.3 Ų50.346%0.46126%0.263SS..Hα-helixtrans-60.8-43.9179.2-178.4-92.9000112.7A112 S113 S118 F119 A120A112-F116 VanDerWaalsContact O-CB 3.32Å; A112-F116 WeakPolarHBondContact O-CB 3.24Å; A112-F116 PolarHBondContact O-N 2.83Å; S113-F116 PolarHBondContact O-N 3.28Å; F116-S118 PolarHBondContact O-N 2.85Å; F116-F119 PolarHBondContact O-N 3.39Å; F116-A120 HydrophobicContact CE1-CB 4.24Å; F116-A120 WeakPolarHBondContact O-CB 3.39Å; F116-A120 PolarHBondContact O-N 3.14Å
117H87.5Confident85.1Confident7 Ų756.9 Ų56.93%0.03229%0.294CS..Hα-helixtrans-56.1-40.2177.5177.3-98.9000111.9N78 S113 R114 I115 A120 Y121 R130N78-H117 PolarHBondContact OD1-CE1 3.25Å; S113-H117 VanDerWaalsContact O-CB 3.25Å; S113-H117 WeakPolarHBondContact O-CB 3.34Å; S113-H117 PolarHBondContact O-N 2.86Å; R114-H117 VanDerWaalsContact NH2-CG 3.27Å; R114-H117 PolarHBondContact O-N 3.15Å; I115-H117 PolarHBondContact O-N 3.49Å; H117-A120 PolarHBondContact O-N 2.93Å; H117-Y121 AromaticContact CE1-CD2 3.87Å; H117-Y121 WeakPolarHBondContact O-CB 3.09Å; H117-Y121 PolarHBondContact O-N 2.98Å; H117-R130 PolarHBondContact CD2-O 3.25Å
118S84.3Confident84.8Confident7 Ų760.9 Ų60.95%0.04932%0.32CS..Hα-helixtrans-69.9-44.2-178.3-49.80000111.9K26 R114 I115 F116 Y121 I122K26-S118 WeakPolarHBondContact CE-OG 3.26Å; K26-S118 PolarHBondContact NZ-OG 2.98Å; R114-S118 PolarHBondContact O-N 3.05Å; R114-S118 VanDerWaalsContact O-N 3.15Å; R114-S118 PolarHBondContact O-OG 2.9Å; I115-S118 WeakPolarHBondContact O-CB 3.38Å; I115-S118 PolarHBondContact O-N 3.4Å; F116-S118 PolarHBondContact O-N 2.85Å; S118-Y121 PolarHBondContact O-N 3.39Å; S118-I122 WeakPolarHBondContact O-CG1 3.4Å; S118-I122 PolarHBondContact O-N 2.98Å
119F85.4Confident84.2Confident122 Ų12255.1 Ų55.154%0.53530%0.301SS..Hα-helixtrans-61.2-45.9171.9-77.7-67.4000111.4I115 F116 Y121 I122 L123I115-F119 HydrophobicContact CG2-CD2 3.76Å; I115-F119 HydrophobicContact CG2-CE2 3.53Å; I115-F119 VanDerWaalsContact O-CD2 3.23Å; I115-F119 WeakPolarHBondContact O-CD2 3.39Å; I115-F119 PolarHBondContact O-N 3.39Å; I115-F119 VanDerWaalsContact O-N 3.15Å; F116-F119 PolarHBondContact O-N 3.39Å; F119-Y121 PolarHBondContact O-N 3.41Å; F119-I122 PolarHBondContact O-N 3.39Å; F119-L123 HydrophobicContact CB-CD1 4.46Å; F119-L123 HydrophobicContact CD1-CD1 4.45Å; F119-L123 VanDerWaalsContact O-CB 3.24Å; F119-L123 WeakPolarHBondContact O-CB 3.32Å; F119-L123 WeakPolarHBondContact O-CG 3.48Å; F119-L123 PolarHBondContact O-N 3.49Å
120A84.7Confident83.6Confident0 Ų055.1 Ų55.10%030%0.295CS..Hα-helixtrans-61.3-33.6177.300000112.2F116 H117 A124 F125 R130F116-A120 HydrophobicContact CE1-CB 4.24Å; F116-A120 WeakPolarHBondContact O-CB 3.39Å; F116-A120 PolarHBondContact O-N 3.14Å; H117-A120 PolarHBondContact O-N 2.93Å; A120-A124 PolarHBondContact O-N 2.84Å; A120-F125 HydrophobicContact CB-CB 4.23Å; A120-F125 PolarHBondContact O-N 3.39Å; A120-F125 VanDerWaalsContact O-N 3.12Å; A120-R130 HydrophobicContact CB-CG 3.77Å
121Y80.2Confident83.2Confident32 Ų3258.1 Ų58.113%0.12532%0.32CS..Hα-helixtrans-69.9-50.2177.1-145.4-77000112R71 R74 C75 H117 S118 F119R71-Y121 HydrophobicContact CB-CE1 4.14Å; R71-Y121 WeakPolarHBondContact CD-O 3.26Å; R71-Y121 HydrophobicContact CG-CD1 3.45Å; R71-Y121 VanDerWaalsContact CG-CD1 3.45Å; R71-Y121 HydrophobicContact CG-CE1 3.45Å; R71-Y121 VanDerWaalsContact CG-CE1 3.45Å; R71-Y121 PolarHBondContact NH1-O 3.31Å; R71-Y121 VanDerWaalsContact NH1-O 3.13Å; R71-Y121 VanDerWaalsContact O-CD1 3.3Å; R71-Y121 WeakPolarHBondContact O-CD1 3.2Å; R71-Y121 WeakPolarHBondContact O-CE1 3.41Å; R74-Y121 HydrophobicContact CB-CE1 4.04Å; R74-Y121 WeakPolarHBondContact CB-OH 3.49Å; R74-Y121 WeakPolarHBondContact CD-OH 3.35Å; R74-Y121 PolarHBondContact NE-OH 3.2Å; C75-Y121 HydrophobicContact CB-CD1 3.74Å; C75-Y121 HydrophobicContact CB-CD2 4.46Å; C75-Y121 HydrophobicContact CB-CE1 4.29Å; C75-Y121 HydrophobicContact CB-CG 3.85Å; H117-Y121 AromaticContact CE1-CD2 3.87Å; H117-Y121 WeakPolarHBondContact O-CB 3.09Å; H117-Y121 PolarHBondContact O-N 2.98Å; S118-Y121 PolarHBondContact O-N 3.39Å; F119-Y121 PolarHBondContact O-N 3.41Å
122I80.4Confident82.9Confident59 Ų5962.3 Ų62.330%0.30334%0.342SS..Hα-helixtrans-70.4-46.7-177.6-64.6170.9000111.3M30 V33 S118 F119 A124M30-I122 HydrophobicContact CE-CD1 4.11Å; M30-I122 HydrophobicContact SD-CD1 4.15Å; V33-I122 HydrophobicContact CG1-CD1 4.49Å; S118-I122 WeakPolarHBondContact O-CG1 3.4Å; S118-I122 PolarHBondContact O-N 2.98Å; F119-I122 PolarHBondContact O-N 3.39Å; I122-A124 PolarHBondContact O-N 3.49Å
123L81.9Confident82.6Confident113 Ų11359.7 Ų59.759%0.59232%0.319SS*.THydrogen-bonded Turntrans-773-179.4-63.3173000113.6F119 F125F119-L123 HydrophobicContact CB-CD1 4.46Å; F119-L123 HydrophobicContact CD1-CD1 4.45Å; F119-L123 VanDerWaalsContact O-CB 3.24Å; F119-L123 WeakPolarHBondContact O-CB 3.32Å; F119-L123 WeakPolarHBondContact O-CG 3.48Å; F119-L123 PolarHBondContact O-N 3.49Å; L123-F125 VanDerWaalsContact C-N 3.28Å; L123-F125 HydrophobicContact CB-CD2 3.88Å; L123-F125 HydrophobicContact CB-CE2 4.02Å; L123-F125 HydrophobicContact CD1-CE2 3.96Å; L123-F125 PolarHBondContact O-N 3.2Å
124A79.1Confident82.3Confident53 Ų5363.2 Ų63.244%0.43833%0.332SS..THydrogen-bonded Turntrans5341.2178.300000114A120 I122A120-A124 PolarHBondContact O-N 2.84Å; I122-A124 PolarHBondContact O-N 3.49Å
125F77.8Confident82.3Confident98 Ų9867.7 Ų67.743%0.4336%0.355SS..PPolyproline II helixtrans-56.4146176.5-95.2-93.6000111.2A120 L123 Q127 S129A120-F125 HydrophobicContact CB-CB 4.23Å; A120-F125 PolarHBondContact O-N 3.39Å; A120-F125 VanDerWaalsContact O-N 3.12Å; L123-F125 VanDerWaalsContact C-N 3.28Å; L123-F125 HydrophobicContact CB-CD2 3.88Å; L123-F125 HydrophobicContact CB-CE2 4.02Å; L123-F125 HydrophobicContact CD1-CE2 3.96Å; L123-F125 PolarHBondContact O-N 3.2Å; F125-Q127 PolarHBondContact O-N 3.05Å; F125-S129 WeakPolarHBondContact CB-OG 3.01Å
126P77.6Confident82.4Confident98 Ų9869 Ų6964%0.63636%0.363SS*.PPolyproline II helixtrans-56.1142.6174.922.9-33.1000110.5S129P126-S129 PolarHBondContact O-N 3.5Å; P126-S129 PolarHBondContact O-OG 2.98Å
127Q71.8Confident82.3Confident161 Ų16164 Ų6475%0.75234%0.341SS*.THydrogen-bonded Turntrans-55.7137.7162.6-61.4179.4-2.300107.1F125F125-Q127 PolarHBondContact O-N 3.05Å
128P81.4Confident82.3Confident84 Ų8466 Ų6655%0.54535%0.351SS..THydrogen-bonded Turncis-107.18.925.339.1-36000115.8R130 A131 L132P128-R130 VanDerWaalsContact C-N 3.28Å; P128-R130 PolarHBondContact O-N 3.11Å; P128-R130 VanDerWaalsContact O-N 3.14Å; P128-A131 PolarHBondContact O-N 2.91Å; P128-L132 HydrophobicContact CB-CD1 4.27Å; P128-L132 HydrophobicContact CB-CG 4.36Å; P128-L132 HydrophobicContact CG-CD1 3.99Å; P128-L132 WeakPolarHBondContact O-CG 3.14Å; P128-L132 PolarHBondContact O-N 2.84Å
129S79.3Confident82.6Confident21 Ų2170.4 Ų70.415%0.14737%0.373CS..Hα-helixtrans-50.9-40.9-173.557.20000114.7F125 P126 S133F125-S129 WeakPolarHBondContact CB-OG 3.01Å; P126-S129 PolarHBondContact O-N 3.5Å; P126-S129 PolarHBondContact O-OG 2.98Å; S129-S133 PolarHBondContact O-N 3.3Å; S129-S133 VanDerWaalsContact O-N 3.14Å; S129-S133 PolarHBondContact O-OG 3.42Å
130R78.4Confident82.8Confident57 Ų5765.3 Ų65.322%0.21535%0.352CS..Hα-helixtrans-68.5-45.2177.8-66.4-178.1-75.2162-3.1112.6H117 A120 P128 S133 Y134H117-R130 PolarHBondContact CD2-O 3.25Å; A120-R130 HydrophobicContact CB-CG 3.77Å; P128-R130 VanDerWaalsContact C-N 3.28Å; P128-R130 PolarHBondContact O-N 3.11Å; P128-R130 VanDerWaalsContact O-N 3.14Å; R130-S133 PolarHBondContact O-N 3.27Å; R130-S133 PolarHBondContact O-OG 2.96Å; R130-Y134 WeakPolarHBondContact O-CB 3.3Å; R130-Y134 PolarHBondContact O-N 3.38Å
131A82.5Confident83Confident64 Ų6465.9 Ų65.953%0.52936%0.355SS..Hα-helixtrans-66.7-41.2-179.900000111.5P128 Y134 L135P128-A131 PolarHBondContact O-N 2.91Å; A131-Y134 PolarHBondContact O-N 2.94Å; A131-L135 WeakPolarHBondContact O-CB 3.36Å; A131-L135 PolarHBondContact O-N 2.82Å
132L83.5Confident83.6Confident96 Ų9670.6 Ų70.650%0.50338%0.377SS..Hα-helixtrans-64-44.8177.6-70.2173.2000112P128 L135 L136P128-L132 HydrophobicContact CB-CD1 4.27Å; P128-L132 HydrophobicContact CB-CG 4.36Å; P128-L132 HydrophobicContact CG-CD1 3.99Å; P128-L132 WeakPolarHBondContact O-CG 3.14Å; P128-L132 PolarHBondContact O-N 2.84Å; L132-L135 PolarHBondContact O-N 3.12Å; L132-L136 WeakPolarHBondContact O-CB 3.48Å; L132-L136 WeakPolarHBondContact O-CG 3.42Å; L132-L136 PolarHBondContact O-N 3.3Å
133S85.1Confident84Confident4 Ų469.8 Ų69.83%0.02838%0.377CS..Hα-helixtrans-65.4-41.8176.251.10000112S113 R114 S129 R130 L135 L136 G137S113-S133 PolarHBondContact OG-O 3.31Å; R114-S133 PolarHBondContact NH2-O 3.35Å; S129-S133 PolarHBondContact O-N 3.3Å; S129-S133 VanDerWaalsContact O-N 3.14Å; S129-S133 PolarHBondContact O-OG 3.42Å; R130-S133 PolarHBondContact O-N 3.27Å; R130-S133 PolarHBondContact O-OG 2.96Å; S133-L135 PolarHBondContact O-N 3.18Å; S133-L136 PolarHBondContact O-N 2.8Å; S133-G137 PolarHBondContact O-N 3.43Å
134Y84.2Confident84.2Confident84 Ų8464.4 Ų64.433%0.32935%0.348SS..Hα-helixtrans-56.5-49.6171.8175.6-93.9000112.2N78 N82 R114 R130 A131 L136 G137 M138N78-Y134 WeakPolarHBondContact ND2-CE2 3.45Å; N82-Y134 WeakPolarHBondContact ND2-CE2 3.42Å; R114-Y134 VanDerWaalsContact NH2-CA 3.34Å; R130-Y134 WeakPolarHBondContact O-CB 3.3Å; R130-Y134 PolarHBondContact O-N 3.38Å; A131-Y134 PolarHBondContact O-N 2.94Å; Y134-L136 VanDerWaalsContact C-N 3.35Å; Y134-L136 PolarHBondContact O-N 3.48Å; Y134-G137 PolarHBondContact O-N 3.42Å; Y134-G137 VanDerWaalsContact O-N 3.15Å; Y134-M138 HydrophobicContact CD1-CG 4.19Å; Y134-M138 HydrophobicContact CE1-CG 3.7Å; Y134-M138 HydrophobicContact CE2-CG 4.06Å; Y134-M138 PolarHBondContact O-N 3.38Å
135L87.6Confident84.7Confident93 Ų9362.9 Ų62.949%0.48734%0.335SS..Hα-helixtrans-60.1-44.2179.9-173.968.2000111.8A131 L132 S133 G137 M138 L139A131-L135 WeakPolarHBondContact O-CB 3.36Å; A131-L135 PolarHBondContact O-N 2.82Å; L132-L135 PolarHBondContact O-N 3.12Å; S133-L135 PolarHBondContact O-N 3.18Å; L135-G137 VanDerWaalsContact C-N 3.33Å; L135-G137 PolarHBondContact O-N 2.93Å; L135-M138 PolarHBondContact O-N 2.96Å; L135-L139 HydrophobicContact CD1-CG 4.47Å; L135-L139 HydrophobicContact CG-CD1 3.99Å; L135-L139 HydrophobicContact CG-CG 4.36Å; L135-L139 WeakPolarHBondContact O-CB 3.32Å; L135-L139 VanDerWaalsContact O-CG 3.26Å; L135-L139 WeakPolarHBondContact O-CG 3.49Å; L135-L139 PolarHBondContact O-N 3.02Å
136L89.2Confident85.2Confident92 Ų9264.4 Ų64.448%0.48234%0.342SS..Hα-helixtrans-59.6-43176-75.4170.2000112L132 S133 Y134 T140L132-L136 WeakPolarHBondContact O-CB 3.48Å; L132-L136 WeakPolarHBondContact O-CG 3.42Å; L132-L136 PolarHBondContact O-N 3.3Å; S133-L136 PolarHBondContact O-N 2.8Å; Y134-L136 VanDerWaalsContact C-N 3.35Å; Y134-L136 PolarHBondContact O-N 3.48Å; L136-T140 WeakPolarHBondContact O-CG2 3.38Å; L136-T140 PolarHBondContact O-N 3.2Å; L136-T140 VanDerWaalsContact O-N 3.12Å; L136-T140 PolarHBondContact O-OG1 3.13Å
137G86.8Confident85.6Confident0 Ų062.7 Ų62.70%033%0.328CS..Hα-helixtrans-62.6-48.2176.600000111.7S133 Y134 L135 L139 T140 T141S133-G137 PolarHBondContact O-N 3.43Å; Y134-G137 PolarHBondContact O-N 3.42Å; Y134-G137 VanDerWaalsContact O-N 3.15Å; L135-G137 VanDerWaalsContact C-N 3.33Å; L135-G137 PolarHBondContact O-N 2.93Å; G137-L139 PolarHBondContact O-N 2.95Å; G137-T140 PolarHBondContact O-N 3.35Å; G137-T140 PolarHBondContact O-OG1 3.3Å; G137-T141 PolarHBondContact O-N 3.12Å; G137-T141 VanDerWaalsContact O-N 3.16Å; G137-T141 PolarHBondContact O-OG1 3.36Å
138M87.8Confident86.3Confident49 Ų4956.2 Ų56.224%0.24130%0.298CS..Hα-helixtrans-60.5-45.6178-74.6-65.7-76.900112.5N82 Y134 L135 T140 T141 F142N82-M138 PolarHBondContact OD1-SD 2.63Å; Y134-M138 HydrophobicContact CD1-CG 4.19Å; Y134-M138 HydrophobicContact CE1-CG 3.7Å; Y134-M138 HydrophobicContact CE2-CG 4.06Å; Y134-M138 PolarHBondContact O-N 3.38Å; L135-M138 PolarHBondContact O-N 2.96Å; M138-T140 VanDerWaalsContact C-N 3.3Å; M138-T140 PolarHBondContact O-N 2.99Å; M138-T141 PolarHBondContact O-N 3.38Å; M138-T141 VanDerWaalsContact O-N 3.16Å; M138-F142 HydrophobicContact CB-CD2 4.47Å; M138-F142 HydrophobicContact CE-CE2 3.67Å; M138-F142 HydrophobicContact CE-CZ 4.19Å; M138-F142 VanDerWaalsContact O-CD2 3.23Å; M138-F142 WeakPolarHBondContact O-CD2 3.44Å; M138-F142 PolarHBondContact O-N 2.94Å
139L90.6Very high86.5Confident98 Ų9856.4 Ų56.451%0.51329%0.294SS..Hα-helixtrans-59.8-39.8177.9-74.4172.1000112L135 G137 F142 S143L135-L139 HydrophobicContact CD1-CG 4.47Å; L135-L139 HydrophobicContact CG-CD1 3.99Å; L135-L139 HydrophobicContact CG-CG 4.36Å; L135-L139 WeakPolarHBondContact O-CB 3.32Å; L135-L139 VanDerWaalsContact O-CG 3.26Å; L135-L139 WeakPolarHBondContact O-CG 3.49Å; L135-L139 PolarHBondContact O-N 3.02Å; G137-L139 PolarHBondContact O-N 2.95Å; L139-F142 PolarHBondContact O-N 2.99Å; L139-S143 VanDerWaalsContact O-CB 3.31Å; L139-S143 WeakPolarHBondContact O-CB 3.31Å; L139-S143 PolarHBondContact O-N 3.07Å
140T89.6Confident86.8Confident15 Ų1558.9 Ų58.99%0.09231%0.305CS..Hα-helixtrans-64.1-41.7175.852.60000112.5V109 L136 G137 M138 S143 M144V109-T140 HydrophobicContact CB-CG2 3.96Å; V109-T140 HydrophobicContact CG1-CG2 3.55Å; L136-T140 WeakPolarHBondContact O-CG2 3.38Å; L136-T140 PolarHBondContact O-N 3.2Å; L136-T140 VanDerWaalsContact O-N 3.12Å; L136-T140 PolarHBondContact O-OG1 3.13Å; G137-T140 PolarHBondContact O-N 3.35Å; G137-T140 PolarHBondContact O-OG1 3.3Å; M138-T140 VanDerWaalsContact C-N 3.3Å; M138-T140 PolarHBondContact O-N 2.99Å; T140-S143 PolarHBondContact O-N 3.14Å; T140-M144 WeakPolarHBondContact O-CG 3.23Å; T140-M144 PolarHBondContact O-N 3.03Å; T140-M144 VanDerWaalsContact O-N 3.08Å
141T89.3Confident87Confident12 Ų1258.8 Ų58.87%0.07431%0.311CS..Hα-helixtrans-66.4-43.1177.6-54.20000111.7P85 I89 G137 M138 M144 A145P85-T141 HydrophobicContact CB-CG2 4.28Å; I89-T141 HydrophobicContact CD1-CG2 3.54Å; G137-T141 PolarHBondContact O-N 3.12Å; G137-T141 VanDerWaalsContact O-N 3.16Å; G137-T141 PolarHBondContact O-OG1 3.36Å; M138-T141 PolarHBondContact O-N 3.38Å; M138-T141 VanDerWaalsContact O-N 3.16Å; T141-M144 PolarHBondContact O-N 3.37Å; T141-A145 WeakPolarHBondContact O-CB 3.28Å; T141-A145 PolarHBondContact O-N 3.34Å
142F90.9Very high86.8Confident131 Ų13159.9 Ų59.958%0.57531%0.31SS*.Hα-helixtrans-63.3-41.5174.6-82.1-62000112.6M138 L139 M144 A145 F146M138-F142 HydrophobicContact CB-CD2 4.47Å; M138-F142 HydrophobicContact CE-CE2 3.67Å; M138-F142 HydrophobicContact CE-CZ 4.19Å; M138-F142 VanDerWaalsContact O-CD2 3.23Å; M138-F142 WeakPolarHBondContact O-CD2 3.44Å; M138-F142 PolarHBondContact O-N 2.94Å; L139-F142 PolarHBondContact O-N 2.99Å; F142-M144 VanDerWaalsContact C-N 3.35Å; F142-M144 PolarHBondContact O-N 3.16Å; F142-A145 PolarHBondContact O-N 3.48Å; F142-F146 WeakPolarHBondContact O-CB 3.31Å; F142-F146 PolarHBondContact O-N 2.86Å
143S89.5Confident86.4Confident43 Ų4363.1 Ų63.130%0.30132%0.321SS..Hα-helixtrans-59.2-46175.9177.30000111.3H106 L139 T140 F146 N147H106-S143 WeakPolarHBondContact NE2-CB 3.34Å; H106-S143 PolarHBondContact NE2-OG 3.37Å; L139-S143 VanDerWaalsContact O-CB 3.31Å; L139-S143 WeakPolarHBondContact O-CB 3.31Å; L139-S143 PolarHBondContact O-N 3.07Å; T140-S143 PolarHBondContact O-N 3.14Å; S143-F146 PolarHBondContact O-N 3.25Å; S143-N147 PolarHBondContact O-N 2.78Å; S143-N147 PolarHBondContact O-ND2 3.44Å
144M87.4Confident85.4Confident0 Ų068.7 Ų68.70%035%0.354CS..Hα-helixtrans-64.1-42.8176.1-70-176.8-65.300112.2F86 I89 Y93 H106 F107 T140 T141 F142 F146 N147 L148F86-M144 HydrophobicContact CD2-CE 3.54Å; F86-M144 HydrophobicContact CE2-CE 3.61Å; F86-M144 HydrophobicContact CE2-SD 4.41Å; I89-M144 HydrophobicContact CG2-CB 3.71Å; Y93-M144 HydrophobicContact CD1-CG 4.23Å; Y93-M144 HydrophobicContact CD1-SD 4.27Å; Y93-M144 HydrophobicContact CD2-CB 4.48Å; Y93-M144 HydrophobicContact CE1-CG 4.38Å; Y93-M144 HydrophobicContact CG-CB 4.34Å; Y93-M144 HydrophobicContact CG-CG 4.44Å; H106-M144 HydrophobicContact CB-CG 3.99Å; H106-M144 HydrophobicContact CB-SD 3.78Å; F107-M144 HydrophobicContact CD1-SD 4.2Å; F107-M144 HydrophobicContact CE1-SD 3.85Å; T140-M144 WeakPolarHBondContact O-CG 3.23Å; T140-M144 PolarHBondContact O-N 3.03Å; T140-M144 VanDerWaalsContact O-N 3.08Å; T141-M144 PolarHBondContact O-N 3.37Å; F142-M144 VanDerWaalsContact C-N 3.35Å; F142-M144 PolarHBondContact O-N 3.16Å; M144-F146 VanDerWaalsContact C-N 3.35Å; M144-F146 PolarHBondContact O-N 2.82Å; M144-N147 PolarHBondContact O-N 3.11Å; M144-L148 WeakPolarHBondContact O-CB 3.41Å; M144-L148 PolarHBondContact O-N 3.37Å
145A89.1Confident83.8Confident20 Ų2073.9 Ų73.917%0.16539%0.387CS..Hα-helixtrans-60.7-44.3176.900000111.7I89 T141 F142 L148 L149I89-A145 HydrophobicContact CD1-CB 3.99Å; I89-A145 HydrophobicContact CG1-CB 4.41Å; I89-A145 HydrophobicContact CG2-CB 4.08Å; T141-A145 WeakPolarHBondContact O-CB 3.28Å; T141-A145 PolarHBondContact O-N 3.34Å; F142-A145 PolarHBondContact O-N 3.48Å; A145-L148 WeakPolarHBondContact O-CB 3.06Å; A145-L148 PolarHBondContact O-N 2.99Å; A145-L149 VanDerWaalsContact O-CG 3.27Å; A145-L149 WeakPolarHBondContact O-CG 3.39Å; A145-L149 PolarHBondContact O-N 3.22Å
146F88.3Confident83.6Confident131 Ų13172.9 Ų72.958%0.57538%0.382SS*.Hα-helixtrans-63.2-46178.4-177.3-104000112F142 S143 M144 L148 L149 I150F142-F146 WeakPolarHBondContact O-CB 3.31Å; F142-F146 PolarHBondContact O-N 2.86Å; S143-F146 PolarHBondContact O-N 3.25Å; M144-F146 VanDerWaalsContact C-N 3.35Å; M144-F146 PolarHBondContact O-N 2.82Å; F146-L148 VanDerWaalsContact C-N 3.33Å; F146-L148 PolarHBondContact O-N 3.19Å; F146-L149 PolarHBondContact O-N 2.89Å; F146-I150 HydrophobicContact CD1-CD1 3.77Å; F146-I150 HydrophobicContact CE1-CD1 3.22Å; F146-I150 HydrophobicContact CE1-CG1 4.33Å; F146-I150 HydrophobicContact CE2-CD1 4.2Å; F146-I150 HydrophobicContact CG-CD1 4.47Å; F146-I150 HydrophobicContact CZ-CD1 3.48Å; F146-I150 VanDerWaalsContact CZ-CD1 3.48Å; F146-I150 HydrophobicContact CZ-CG1 4.35Å; F146-I150 WeakPolarHBondContact O-CG1 3.35Å; F146-I150 PolarHBondContact O-N 2.84Å
147N85.4Confident83.3Confident61 Ų6171.9 Ų71.933%0.32638%0.377SS..Hα-helixtrans-61.9-42.9176-78.7-78.2000111.5Y93 S143 M144 I150 T151Y93-N147 HydrophobicContact CD2-CB 4.49Å; Y93-N147 HydrophobicContact CE2-CB 3.75Å; S143-N147 PolarHBondContact O-N 2.78Å; S143-N147 PolarHBondContact O-ND2 3.44Å; M144-N147 PolarHBondContact O-N 3.11Å; N147-I150 PolarHBondContact O-N 3.49Å; N147-T151 PolarHBondContact O-N 2.86Å; N147-T151 PolarHBondContact O-OG1 2.96Å
148L86.3Confident83.1Confident25 Ų2575.9 Ų75.913%0.13140%0.397CS..Hα-helixtrans-58.4-49175.9-177.4113.9000111.7L92 Y93 S96 M144 A145 F146 I150 T151 V152L92-L148 HydrophobicContact CB-CD1 3.43Å; L92-L148 VanDerWaalsContact CB-CD1 3.43Å; L92-L148 HydrophobicContact CB-CD2 4.43Å; Y93-L148 VanDerWaalsContact N-CD1 3.33Å; S96-L148 WeakPolarHBondContact OG-CD1 3.25Å; M144-L148 WeakPolarHBondContact O-CB 3.41Å; M144-L148 PolarHBondContact O-N 3.37Å; A145-L148 WeakPolarHBondContact O-CB 3.06Å; A145-L148 PolarHBondContact O-N 2.99Å; F146-L148 VanDerWaalsContact C-N 3.33Å; F146-L148 PolarHBondContact O-N 3.19Å; L148-I150 VanDerWaalsContact C-N 3.34Å; L148-I150 PolarHBondContact O-N 3.13Å; L148-T151 PolarHBondContact O-N 3.33Å; L148-V152 HydrophobicContact CG-CG2 4.42Å; L148-V152 WeakPolarHBondContact O-CG2 3.48Å; L148-V152 PolarHBondContact O-N 3.2Å
149L86.6Confident82.8Confident88 Ų8877.5 Ų77.546%0.46141%0.407SS..Hα-helixtrans-59.9-45.3179-68.8171000110.9A145 F146 T151 V152 F153A145-L149 VanDerWaalsContact O-CG 3.27Å; A145-L149 WeakPolarHBondContact O-CG 3.39Å; A145-L149 PolarHBondContact O-N 3.22Å; F146-L149 PolarHBondContact O-N 2.89Å; L149-T151 PolarHBondContact O-N 2.97Å; L149-V152 PolarHBondContact O-N 3.5Å; L149-F153 HydrophobicContact CB-CD2 4.24Å; L149-F153 HydrophobicContact CD2-CD2 4.41Å; L149-F153 HydrophobicContact CD2-CE2 3.94Å; L149-F153 WeakPolarHBondContact O-CB 3.38Å; L149-F153 WeakPolarHBondContact O-CD2 3.47Å; L149-F153 PolarHBondContact O-N 3.15Å
150I85.4Confident82.3Confident74 Ų7476.2 Ų76.238%0.37940%0.4SS..Hα-helixtrans-59.4-47.3175.8-70.4175.3000111F146 N147 L148 V152 F153 V154F146-I150 HydrophobicContact CD1-CD1 3.77Å; F146-I150 HydrophobicContact CE1-CD1 3.22Å; F146-I150 HydrophobicContact CE1-CG1 4.33Å; F146-I150 HydrophobicContact CE2-CD1 4.2Å; F146-I150 HydrophobicContact CG-CD1 4.47Å; F146-I150 HydrophobicContact CZ-CD1 3.48Å; F146-I150 VanDerWaalsContact CZ-CD1 3.48Å; F146-I150 HydrophobicContact CZ-CG1 4.35Å; F146-I150 WeakPolarHBondContact O-CG1 3.35Å; F146-I150 PolarHBondContact O-N 2.84Å; N147-I150 PolarHBondContact O-N 3.49Å; L148-I150 VanDerWaalsContact C-N 3.34Å; L148-I150 PolarHBondContact O-N 3.13Å; I150-V152 VanDerWaalsContact C-N 3.28Å; I150-V152 PolarHBondContact O-N 3.14Å; I150-F153 PolarHBondContact O-N 2.96Å; I150-V154 HydrophobicContact CG2-CG2 3.99Å; I150-V154 WeakPolarHBondContact O-CB 3.48Å; I150-V154 VanDerWaalsContact O-CG2 3.27Å; I150-V154 WeakPolarHBondContact O-CG2 3.48Å; I150-V154 PolarHBondContact O-N 3.28Å
151T81.1Confident81.8Confident54 Ų5480.3 Ų80.333%0.33142%0.421SS..Hα-helixtrans-62-37-179.9-57.80000112N147 L148 L149 L155N147-T151 PolarHBondContact O-N 2.86Å; N147-T151 PolarHBondContact O-OG1 2.96Å; L148-T151 PolarHBondContact O-N 3.33Å; L149-T151 PolarHBondContact O-N 2.97Å; T151-L155 HydrophobicContact CG2-CD1 4.13Å; T151-L155 WeakPolarHBondContact O-CB 3.41Å; T151-L155 WeakPolarHBondContact O-CD1 3.45Å
152V79.7Confident81.3Confident87 Ų8785.1 Ų85.153%0.52745%0.445SS..Hα-helixtrans-78.9-34.1180174.20000112.9L148 L149 I150L148-V152 HydrophobicContact CG-CG2 4.42Å; L148-V152 WeakPolarHBondContact O-CG2 3.48Å; L148-V152 PolarHBondContact O-N 3.2Å; L149-V152 PolarHBondContact O-N 3.5Å; I150-V152 VanDerWaalsContact C-N 3.28Å; I150-V152 PolarHBondContact O-N 3.14Å
153F75.1Confident80.6Confident164 Ų16481.6 Ų81.672%0.71944%0.435SS*.Hα-helixtrans-88-22.8-177.6-82.1-71.4000114.4L149 I150L149-F153 HydrophobicContact CB-CD2 4.24Å; L149-F153 HydrophobicContact CD2-CD2 4.41Å; L149-F153 HydrophobicContact CD2-CE2 3.94Å; L149-F153 WeakPolarHBondContact O-CB 3.38Å; L149-F153 WeakPolarHBondContact O-CD2 3.47Å; L149-F153 PolarHBondContact O-N 3.15Å; I150-F153 PolarHBondContact O-N 2.96Å
154V62.8Low79.8Confident121 Ų12184.8 Ų84.873%0.73345%0.447SS*.Hα-helixtrans-94-14.4-179.1179.40000112.2I150I150-V154 HydrophobicContact CG2-CG2 3.99Å; I150-V154 WeakPolarHBondContact O-CB 3.48Å; I150-V154 VanDerWaalsContact O-CG2 3.27Å; I150-V154 WeakPolarHBondContact O-CG2 3.48Å; I150-V154 PolarHBondContact O-N 3.28Å
155L50.6Low79.1Confident193 Ų19392.5 Ų92.5100%1.0149%0.487SS*.  trans-880165.4-97.7150.5000110.6T151T151-L155 HydrophobicContact CG2-CD1 4.13Å; T151-L155 WeakPolarHBondContact O-CB 3.41Å; T151-L155 WeakPolarHBondContact O-CD1 3.45Å

Retrieved 155 of 155 residues in 165.9 ms (Link to these results)

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