A0A087YP31_POEFO Loading...

Hook microtubule tethering protein 3

AlphaFold DB , UniProt , Accession A0A087YP31, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 722 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
1M34.5Very low51.4Low205 Ų205108.2 Ų108.2100%1.0158%0.581SS**  0-26.30-67.5-170.982.700112.4T3M1-T3 PolarHBondContact O-N 2.87Å
2S32.6Very low54.2Low99 Ų99101 Ų10169%0.69254%0.542SS*.Hα-helixtrans-69.9-21.1-176.8-41.60000116.6
3T32.3Very low56.7Low110 Ų11093.3 Ų93.368%0.67550%0.501SS*.Hα-helixtrans-82.3-25.9-179.849.10000113.3M1 S6 L7M1-T3 PolarHBondContact O-N 2.87Å; T3-S6 PolarHBondContact O-OG 3.5Å; T3-L7 VanDerWaalsContact O-CD1 3.3Å; T3-L7 WeakPolarHBondContact O-CD1 3.22Å; T3-L7 PolarHBondContact O-N 3.11Å
4S33.1Very low59Low73 Ų7395.1 Ų95.151%0.5151%0.505SS..Hα-helixtrans-76.1-42177.3-159.10000111S6 L7 D8S4-S6 VanDerWaalsContact C-N 3.28Å; S4-S6 PolarHBondContact O-N 3.35Å; S4-L7 PolarHBondContact O-N 2.85Å; S4-D8 PolarHBondContact O-N 3.06Å
5E50Low61Low115 Ų11589.5 Ų89.554%0.53748%0.477SS..Hα-helixtrans-65.5-28.3177.3-72.9-178.9171.300113.2R9E5-R9 WeakPolarHBondContact O-CD 3.26Å; E5-R9 VanDerWaalsContact O-CG 3.22Å; E5-R9 WeakPolarHBondContact O-CG 3.32Å; E5-R9 PolarHBondContact O-N 3.44Å
6S49Very low62.8Low61 Ų6183.9 Ų83.943%0.42745%0.447SS..Hα-helixtrans-76.2-32.3176.3630000112.8T3 S4 M10T3-S6 PolarHBondContact O-OG 3.5Å; S4-S6 VanDerWaalsContact C-N 3.28Å; S4-S6 PolarHBondContact O-N 3.35Å; S6-M10 PolarHBondContact O-N 3.33Å
7L46.7Very low64.4Low123 Ų12379.9 Ų79.964%0.64443%0.425SS*.Hα-helixtrans-69.7-45.2177.8-101.6126.7000111T3 S4 R9 M10 E11T3-L7 VanDerWaalsContact O-CD1 3.3Å; T3-L7 WeakPolarHBondContact O-CD1 3.22Å; T3-L7 PolarHBondContact O-N 3.11Å; S4-L7 PolarHBondContact O-N 2.85Å; L7-R9 PolarHBondContact O-N 3.07Å; L7-M10 PolarHBondContact O-N 3.35Å; L7-M10 VanDerWaalsContact O-N 3.16Å; L7-E11 PolarHBondContact O-N 2.95Å
8D63.4Low65.8Low101 Ų10178.8 Ų78.854%0.5442%0.422SS..Hα-helixtrans-61.6-32.8176.9-67.3-12000112.3S4 L12S4-D8 PolarHBondContact O-N 3.06Å; D8-L12 PolarHBondContact O-N 3.39Å; D8-L12 VanDerWaalsContact O-N 3.12Å
9R68.9Low67.1Low95 Ų9574.6 Ų74.636%0.35840%0.4SS..Hα-helixtrans-77.8-24.9179-71.7176.7-175178.48.2113.9E5 L7 C13 A113 R117E5-R9 WeakPolarHBondContact O-CD 3.26Å; E5-R9 VanDerWaalsContact O-CG 3.22Å; E5-R9 WeakPolarHBondContact O-CG 3.32Å; E5-R9 PolarHBondContact O-N 3.44Å; L7-R9 PolarHBondContact O-N 3.07Å; R9-C13 PolarHBondContact O-N 3.44Å; R9-A113 HydrophobicContact CB-CB 3.97Å; R9-R117 VanDerWaalsContact CZ-NH2 3.34Å
10M72.9Confident68.3Low107 Ų10771 Ų7153%0.52738%0.38SS..Hα-helixtrans-75.5-41.6174.1-162.9171.3-63.200110.3S6 L7 L12 C13 E14S6-M10 PolarHBondContact O-N 3.33Å; L7-M10 PolarHBondContact O-N 3.35Å; L7-M10 VanDerWaalsContact O-N 3.16Å; M10-L12 VanDerWaalsContact C-N 3.28Å; M10-L12 PolarHBondContact O-N 2.83Å; M10-C13 WeakPolarHBondContact O-CB 3.4Å; M10-C13 PolarHBondContact O-N 2.75Å; M10-E14 PolarHBondContact O-N 3.28Å
11E82.5Confident69.3Low101 Ų10171.4 Ų71.447%0.47238%0.38SS..Hα-helixtrans-61.2-36.3173.4-169.8174.7-173.200112L7 S15 V149L7-E11 PolarHBondContact O-N 2.95Å; E11-S15 VanDerWaalsContact O-CB 3.28Å; E11-S15 WeakPolarHBondContact O-CB 3.48Å; E11-S15 PolarHBondContact O-N 2.83Å; E11-S15 PolarHBondContact O-OG 3.43Å; E11-V149 HydrophobicContact CG-CG2 4.42Å
12L84.8Confident71.8Confident22 Ų2264.7 Ų64.712%0.11535%0.35CS..Hα-helixtrans-58.2-47.4170.2-179.565.7000111.9D8 M10 L16 V149 A153D8-L12 PolarHBondContact O-N 3.39Å; D8-L12 VanDerWaalsContact O-N 3.12Å; M10-L12 VanDerWaalsContact C-N 3.28Å; M10-L12 PolarHBondContact O-N 2.83Å; L12-L16 HydrophobicContact CD1-CD1 3.73Å; L12-L16 HydrophobicContact CD1-CG 4.1Å; L12-L16 HydrophobicContact CG-CD1 3.9Å; L12-L16 WeakPolarHBondContact O-CB 3.49Å; L12-L16 WeakPolarHBondContact O-CG 3.48Å; L12-L16 PolarHBondContact O-N 2.89Å; L12-V149 HydrophobicContact CD1-CG1 3.84Å; L12-A153 HydrophobicContact CD1-CB 3.86Å
13C87.1Confident74.3Confident1 Ų160.7 Ų60.71%0.00732%0.321CS..Hα-helixtrans-65.5-43.1-179-172.90000112.4R9 M10 L17 A112R9-C13 PolarHBondContact O-N 3.44Å; M10-C13 WeakPolarHBondContact O-CB 3.4Å; M10-C13 PolarHBondContact O-N 2.75Å; C13-L17 VanDerWaalsContact O-CB 3.23Å; C13-L17 WeakPolarHBondContact O-CB 3.34Å; C13-L17 PolarHBondContact O-N 3.19Å; C13-A112 HydrophobicContact CB-CB 4.26Å; C13-A112 WeakPolarHBondContact CB-O 3.36Å; C13-A112 PolarHBondContact SG-O 3.35Å
14E87.8Confident76.5Confident119 Ų11958.2 Ų58.256%0.55632%0.317SS*.Hα-helixtrans-67.4-40.8179.9-68.9-173.1168.700112.2M10 L17 T18M10-E14 PolarHBondContact O-N 3.28Å; E14-L17 PolarHBondContact O-N 3.34Å; E14-T18 PolarHBondContact O-N 2.78Å; E14-T18 PolarHBondContact O-OG1 2.88Å
15S89.1Confident78.8Confident11 Ų1155.7 Ų55.78%0.07730%0.298CS..Hα-helixtrans-64.7-44.2176.3-63.20000111.7E11 T18 W19E11-S15 VanDerWaalsContact O-CB 3.28Å; E11-S15 WeakPolarHBondContact O-CB 3.48Å; E11-S15 PolarHBondContact O-N 2.83Å; E11-S15 PolarHBondContact O-OG 3.43Å; S15-T18 WeakPolarHBondContact O-CB 3.42Å; S15-T18 PolarHBondContact O-N 2.87Å; S15-W19 PolarHBondContact O-N 3.35Å; S15-W19 VanDerWaalsContact O-N 3.15Å
16L89.7Confident80Confident0 Ų059.3 Ų59.30%032%0.315CS..Hα-helixtrans-70.8-31176.8-67178.3000112.8L12 W19 I20 G116 L119 Q120 L123 V150L12-L16 HydrophobicContact CD1-CD1 3.73Å; L12-L16 HydrophobicContact CD1-CG 4.1Å; L12-L16 HydrophobicContact CG-CD1 3.9Å; L12-L16 WeakPolarHBondContact O-CB 3.49Å; L12-L16 WeakPolarHBondContact O-CG 3.48Å; L12-L16 PolarHBondContact O-N 2.89Å; L16-W19 WeakPolarHBondContact O-CB 3.35Å; L16-W19 PolarHBondContact O-N 3.48Å; L16-I20 WeakPolarHBondContact O-CG1 3.43Å; L16-I20 PolarHBondContact O-N 3.14Å; L16-G116 WeakPolarHBondContact CD1-O 3.39Å; L16-L119 HydrophobicContact CB-CB 3.9Å; L16-L119 HydrophobicContact CB-CD1 3.94Å; L16-L119 HydrophobicContact CD1-CB 3.85Å; L16-L119 HydrophobicContact CG-CB 4.49Å; L16-Q120 HydrophobicContact CD1-CB 4.01Å; L16-L123 HydrophobicContact CD2-CB 4.45Å; L16-L123 HydrophobicContact CD2-CD2 3.6Å; L16-V150 HydrophobicContact CD2-CG2 4.14Å
17L90.2Very high81.3Confident15 Ų1557.3 Ų57.38%0.07930%0.302CS..Hα-helixtrans-63.1-43.7171.9177.662.1000111C13 E14 W19 I20 Q21 L35C13-L17 VanDerWaalsContact O-CB 3.23Å; C13-L17 WeakPolarHBondContact O-CB 3.34Å; C13-L17 PolarHBondContact O-N 3.19Å; E14-L17 PolarHBondContact O-N 3.34Å; L17-W19 PolarHBondContact O-N 3.41Å; L17-I20 PolarHBondContact O-N 2.8Å; L17-I20 VanDerWaalsContact O-N 3.14Å; L17-Q21 WeakPolarHBondContact O-CG 3.45Å; L17-Q21 PolarHBondContact O-N 2.94Å; L17-L35 HydrophobicContact CD1-CD1 3.53Å; L17-L35 HydrophobicContact CD1-CD2 3.66Å; L17-L35 HydrophobicContact CD1-CG 4.26Å
18T89.5Confident82.7Confident60 Ų6055.8 Ų55.837%0.36830%0.3SS..Hα-helixtrans-59.3-37.9174.8-53.50000111.1E14 S15 Q21 M142E14-T18 PolarHBondContact O-N 2.78Å; E14-T18 PolarHBondContact O-OG1 2.88Å; S15-T18 WeakPolarHBondContact O-CB 3.42Å; S15-T18 PolarHBondContact O-N 2.87Å; T18-Q21 PolarHBondContact O-N 3.34Å; T18-M142 HydrophobicContact CG2-CE 3.74Å
19W91.1Very high83.6Confident0 Ų051.8 Ų51.80%028%0.28CS..Hα-helixtrans-66.8-44.3173.7173.972.6000112.5S15 L16 L17 Q21 T22 F23 I122 L123 A126 M142S15-W19 PolarHBondContact O-N 3.35Å; S15-W19 VanDerWaalsContact O-N 3.15Å; L16-W19 WeakPolarHBondContact O-CB 3.35Å; L16-W19 PolarHBondContact O-N 3.48Å; L17-W19 PolarHBondContact O-N 3.41Å; W19-Q21 PolarHBondContact O-N 2.86Å; W19-T22 WeakPolarHBondContact O-CB 3.25Å; W19-T22 WeakPolarHBondContact O-CG2 3.48Å; W19-T22 PolarHBondContact O-N 3.45Å; W19-T22 PolarHBondContact O-OG1 2.79Å; W19-F23 HydrophobicContact CD2-CE2 4.12Å; W19-F23 AromaticContact CE2-CE2 3.67Å; W19-F23 HydrophobicContact CE3-CE2 4.4Å; W19-F23 AromaticContact CH2-CE2 3.84Å; W19-F23 HydrophobicContact CH2-CE2 3.84Å; W19-F23 AromaticContact CH2-CZ 3.85Å; W19-F23 HydrophobicContact CH2-CZ 3.85Å; W19-F23 AromaticContact CZ2-CE2 3.53Å; W19-F23 HydrophobicContact CZ2-CE2 3.53Å; W19-F23 AromaticContact CZ2-CZ 3.55Å; W19-F23 HydrophobicContact CZ2-CZ 3.55Å; W19-F23 HydrophobicContact CZ3-CE2 4.27Å; W19-I122 HydrophobicContact CH2-CG2 4.34Å; W19-I122 HydrophobicContact CZ3-CG2 4.29Å; W19-L123 HydrophobicContact CD2-CD1 4.08Å; W19-L123 HydrophobicContact CE3-CB 4.37Å; W19-L123 HydrophobicContact CE3-CD1 4.3Å; W19-L123 HydrophobicContact CH2-CB 4.02Å; W19-L123 HydrophobicContact CH2-CD1 3.97Å; W19-L123 HydrophobicContact CZ2-CD1 3.68Å; W19-L123 HydrophobicContact CZ3-CB 3.87Å; W19-L123 HydrophobicContact CZ3-CD1 4.25Å; W19-A126 HydrophobicContact CH2-CB 3.79Å; W19-A126 HydrophobicContact CZ2-CB 3.67Å; W19-M142 VanDerWaalsContact CA-CE 3.49Å; W19-M142 HydrophobicContact CB-CE 3.98Å; W19-M142 HydrophobicContact CB-SD 4.12Å; W19-M142 HydrophobicContact CG-SD 4.42Å
20I90.7Very high84.1Confident1 Ų155.6 Ų55.61%0.00530%0.299CS..Hα-helixtrans-59.3-35.4176.8-70.8-69.2000112.1L16 L17 T22 F23 V40 V44 L119L16-I20 WeakPolarHBondContact O-CG1 3.43Å; L16-I20 PolarHBondContact O-N 3.14Å; L17-I20 PolarHBondContact O-N 2.8Å; L17-I20 VanDerWaalsContact O-N 3.14Å; I20-T22 PolarHBondContact O-N 2.85Å; I20-F23 WeakPolarHBondContact O-CB 3.47Å; I20-F23 WeakPolarHBondContact O-CD2 3.39Å; I20-F23 PolarHBondContact O-N 3.09Å; I20-F23 VanDerWaalsContact O-N 3.11Å; I20-V40 HydrophobicContact CG2-CG1 3.7Å; I20-V44 HydrophobicContact CD1-CB 4.36Å; I20-V44 HydrophobicContact CD1-CG1 3.86Å; I20-V44 HydrophobicContact CD1-CG2 4.04Å; I20-V44 HydrophobicContact CG2-CG2 4.17Å; I20-L119 HydrophobicContact CD1-CD2 3.99Å; I20-L119 HydrophobicContact CG1-CD1 4.32Å; I20-L119 HydrophobicContact CG1-CD2 3.81Å
21Q88.7Confident84.6Confident80 Ų8053.7 Ų53.737%0.37429%0.293SS..Hα-helixtrans-62.4-23.7177.9-72.3171.22.100113.2L17 T18 W19 F23 G24 C29L17-Q21 WeakPolarHBondContact O-CG 3.45Å; L17-Q21 PolarHBondContact O-N 2.94Å; T18-Q21 PolarHBondContact O-N 3.34Å; W19-Q21 PolarHBondContact O-N 2.86Å; Q21-F23 PolarHBondContact O-N 2.9Å; Q21-G24 PolarHBondContact O-N 2.7Å; Q21-C29 WeakPolarHBondContact CG-O 3.38Å; Q21-C29 PolarHBondContact NE2-O 2.89Å
22T88.5Confident84.7Confident64 Ų6450.7 Ų50.739%0.39328%0.282SS..THydrogen-bonded Turntrans-65.4-20.5176.570.60000113.1W19 I20 G24 T138 M142W19-T22 WeakPolarHBondContact O-CB 3.25Å; W19-T22 WeakPolarHBondContact O-CG2 3.48Å; W19-T22 PolarHBondContact O-N 3.45Å; W19-T22 PolarHBondContact O-OG1 2.79Å; I20-T22 PolarHBondContact O-N 2.85Å; T22-G24 VanDerWaalsContact C-N 3.32Å; T22-G24 PolarHBondContact O-N 3.38Å; T22-T138 HydrophobicContact CG2-CG2 4.15Å; T22-M142 HydrophobicContact CG2-CE 4.15Å; T22-M142 HydrophobicContact CG2-SD 4.31Å
23F84.9Confident84.7Confident16 Ų1655.5 Ų55.57%0.0730%0.304CS..THydrogen-bonded Turntrans-75.8-15.8-179.3-73-102.1000113.5W19 I20 Q21 V25 V44 K47 I48 Y135W19-F23 HydrophobicContact CD2-CE2 4.12Å; W19-F23 AromaticContact CE2-CE2 3.67Å; W19-F23 HydrophobicContact CE3-CE2 4.4Å; W19-F23 AromaticContact CH2-CE2 3.84Å; W19-F23 HydrophobicContact CH2-CE2 3.84Å; W19-F23 AromaticContact CH2-CZ 3.85Å; W19-F23 HydrophobicContact CH2-CZ 3.85Å; W19-F23 AromaticContact CZ2-CE2 3.53Å; W19-F23 HydrophobicContact CZ2-CE2 3.53Å; W19-F23 AromaticContact CZ2-CZ 3.55Å; W19-F23 HydrophobicContact CZ2-CZ 3.55Å; W19-F23 HydrophobicContact CZ3-CE2 4.27Å; I20-F23 WeakPolarHBondContact O-CB 3.47Å; I20-F23 WeakPolarHBondContact O-CD2 3.39Å; I20-F23 PolarHBondContact O-N 3.09Å; I20-F23 VanDerWaalsContact O-N 3.11Å; Q21-F23 PolarHBondContact O-N 2.9Å; F23-V25 HydrophobicContact CB-CG1 4.07Å; F23-V25 PolarHBondContact O-N 2.91Å; F23-V44 HydrophobicContact CB-CG2 4.09Å; F23-V44 HydrophobicContact CD1-CG1 3.96Å; F23-V44 HydrophobicContact CD1-CG2 4.39Å; F23-V44 HydrophobicContact CD2-CG1 4.25Å; F23-V44 HydrophobicContact CD2-CG2 4.4Å; F23-V44 HydrophobicContact CE1-CG1 3.82Å; F23-V44 HydrophobicContact CE2-CG1 4.12Å; F23-V44 HydrophobicContact CG-CG1 4.17Å; F23-V44 HydrophobicContact CG-CG2 4.05Å; F23-V44 HydrophobicContact CZ-CG1 3.91Å; F23-K47 HydrophobicContact CB-CD 4.45Å; F23-K47 HydrophobicContact CD1-CB 4.11Å; F23-K47 HydrophobicContact CD1-CD 4.22Å; F23-K47 PolarHBondContact O-NZ 3.28Å; F23-I48 HydrophobicContact CE1-CG1 4.03Å; F23-I48 HydrophobicContact CZ-CG1 4.34Å; F23-Y135 HydrophobicContact CD1-CE1 4.24Å; F23-Y135 AromaticContact CE1-CD1 3.93Å; F23-Y135 HydrophobicContact CE1-CD1 3.93Å; F23-Y135 AromaticContact CE1-CE1 3.27Å; F23-Y135 HydrophobicContact CE1-CE1 3.27Å; F23-Y135 AromaticContact CE1-CZ 3.94Å; F23-Y135 AromaticContact CZ-CD1 3.73Å; F23-Y135 HydrophobicContact CZ-CD1 3.73Å; F23-Y135 AromaticContact CZ-CE1 3.59Å; F23-Y135 HydrophobicContact CZ-CE1 3.59Å
24G77.6Confident84.6Confident58 Ų5857.8 Ų57.860%0.59832%0.316SS*.  trans52.854.3177.500000113.1Q21 T22 K47Q21-G24 PolarHBondContact O-N 2.7Å; T22-G24 VanDerWaalsContact C-N 3.32Å; T22-G24 PolarHBondContact O-N 3.38Å; G24-K47 PolarHBondContact O-NZ 3.14Å
25V82.6Confident84.5Confident20 Ų2052.1 Ų52.112%0.12129%0.289CS..  trans-80.5159.4-179.2-64.40000112F23 A27 V40 Q43 V44F23-V25 HydrophobicContact CB-CG1 4.07Å; F23-V25 PolarHBondContact O-N 2.91Å; V25-A27 VanDerWaalsContact C-N 3.32Å; V25-A27 PolarHBondContact O-N 2.91Å; V25-V40 HydrophobicContact CG2-CG1 4.09Å; V25-Q43 HydrophobicContact CB-CB 4.23Å; V25-Q43 HydrophobicContact CG1-CB 3.94Å; V25-V44 HydrophobicContact CG1-CG2 3.94Å
26E73.5Confident84.5Confident191 Ų19151.7 Ų51.789%0.89329%0.286SS*.SBendtrans-69.3-28.7-176.7-65.6-176.1167.500113
27A76.3Confident84.4Confident18 Ų1852.8 Ų52.815%0.14929%0.294CS..SBendtrans-78.2144.1176.300000111.7V25 C29 V39 V40V25-A27 VanDerWaalsContact C-N 3.32Å; V25-A27 PolarHBondContact O-N 2.91Å; A27-C29 PolarHBondContact O-N 3.2Å; A27-V39 HydrophobicContact CB-CG1 4.24Å; A27-V40 HydrophobicContact CB-CG2 3.72Å
28P77Confident84.3Confident92 Ų9252 Ų5260%0.59729%0.29SS*.  trans-58.2137.5172.725.4-32.3000109.8D34 V40P28-D34 VanDerWaalsContact O-CB 3.32Å; P28-D34 WeakPolarHBondContact O-CB 3.46Å; P28-V40 WeakPolarHBondContact O-CG2 3.48Å
29C82.3Confident84.3Confident17 Ų1750.1 Ų50.112%0.11528%0.278CS..  trans-140.337.4-177.154.40000111.9Q21 A27 L35 V40Q21-C29 WeakPolarHBondContact CG-O 3.38Å; Q21-C29 PolarHBondContact NE2-O 2.89Å; A27-C29 PolarHBondContact O-N 3.2Å; C29-L35 HydrophobicContact CB-CD1 4.01Å; C29-V40 HydrophobicContact CB-CG1 3.91Å; C29-V40 HydrophobicContact CB-CG2 4.12Å
30K79.4Confident84.3Confident175 Ų17550.1 Ų50.176%0.76128%0.278SS*.SBendtrans-88.9-31.5-174.6-69-174.1179-178.40112.5D34K30-D34 PolarHBondContact N-OD2 2.68Å
31T84.3Confident84.4Confident66 Ų6650.1 Ų50.141%0.40528%0.278SS..SBendtrans-120.3159.9-177.266.70000111.3E33 D34T31-E33 PolarHBondContact O-N 3.44Å; T31-D34 PolarHBondContact N-OD2 3.47Å; T31-D34 VanDerWaalsContact N-OD2 3.12Å; T31-D34 WeakPolarHBondContact O-CB 3.33Å; T31-D34 PolarHBondContact O-N 3.3Å; T31-D34 VanDerWaalsContact OG1-CG 3.28Å; T31-D34 PolarHBondContact OG1-N 3.24Å; T31-D34 PolarHBondContact OG1-OD2 3.39Å
32V83.8Confident84.5Confident38 Ų3846.3 Ų46.323%0.2326%0.26CS..Hα-helixtrans-51.4-39.2170.4170.80000110.6D34 L35 T36 A112 L115V32-D34 PolarHBondContact O-N 2.83Å; V32-L35 PolarHBondContact O-N 2.81Å; V32-T36 PolarHBondContact O-N 2.87Å; V32-A112 HydrophobicContact CG1-CB 4.33Å; V32-L115 HydrophobicContact CB-CD2 4.16Å; V32-L115 HydrophobicContact CG1-CD2 3.52Å
33E84.1Confident84.6Confident124 Ų12444.9 Ų44.958%0.57925%0.249SC*.Hα-helixtrans-66.7-34.6-176.7-159.3164.2-160.300112.9T31 L35 T36T31-E33 PolarHBondContact O-N 3.44Å; E33-L35 PolarHBondContact O-N 3.29Å; E33-T36 WeakPolarHBondContact O-CB 3.31Å; E33-T36 PolarHBondContact O-N 3.41Å; E33-T36 PolarHBondContact O-OG1 2.93Å
34D84.9Confident84.9Confident48 Ų4844.1 Ų44.126%0.25725%0.246SC..Hα-helixtrans-61.2-35.3176.3-67.8-26.8000112P28 K30 T31 V32 S37P28-D34 VanDerWaalsContact O-CB 3.32Å; P28-D34 WeakPolarHBondContact O-CB 3.46Å; K30-D34 PolarHBondContact N-OD2 2.68Å; T31-D34 PolarHBondContact N-OD2 3.47Å; T31-D34 VanDerWaalsContact N-OD2 3.12Å; T31-D34 WeakPolarHBondContact O-CB 3.33Å; T31-D34 PolarHBondContact O-N 3.3Å; T31-D34 VanDerWaalsContact OG1-CG 3.28Å; T31-D34 PolarHBondContact OG1-N 3.24Å; T31-D34 PolarHBondContact OG1-OD2 3.39Å; V32-D34 PolarHBondContact O-N 2.83Å; D34-S37 PolarHBondContact O-OG 2.87Å
35L87.1Confident85.6Confident0 Ų041.4 Ų41.40%022%0.217CC..Hα-helixtrans-79.1-20.7-178.4-84.966.5000113.1L17 C29 V32 E33 S37 G38 V40 M41 L115 L119L17-L35 HydrophobicContact CD1-CD1 3.53Å; L17-L35 HydrophobicContact CD1-CD2 3.66Å; L17-L35 HydrophobicContact CD1-CG 4.26Å; C29-L35 HydrophobicContact CB-CD1 4.01Å; V32-L35 PolarHBondContact O-N 2.81Å; E33-L35 PolarHBondContact O-N 3.29Å; L35-S37 PolarHBondContact O-N 2.95Å; L35-S37 VanDerWaalsContact O-N 3.12Å; L35-G38 PolarHBondContact O-N 3.42Å; L35-V40 HydrophobicContact CD1-CG1 4.16Å; L35-V40 HydrophobicContact CD1-CG2 4.48Å; L35-V40 HydrophobicContact CG-CB 4.29Å; L35-V40 HydrophobicContact CG-CG1 4.07Å; L35-M41 HydrophobicContact CB-CE 4.41Å; L35-L115 HydrophobicContact CB-CD1 4.17Å; L35-L115 HydrophobicContact CB-CD2 4.05Å; L35-L115 HydrophobicContact CD2-CD2 4.36Å; L35-L119 HydrophobicContact CD2-CD1 3.84Å; L35-L119 HydrophobicContact CD2-CD2 3.99Å; L35-L119 HydrophobicContact CD2-CG 4.4Å
36T89Confident86Confident2 Ų242.1 Ų42.11%0.01222%0.219CC..THydrogen-bonded Turntrans-61.6-22.7-179.965.60000113.1V32 E33 G38 K72 I106 A110V32-T36 PolarHBondContact O-N 2.87Å; E33-T36 WeakPolarHBondContact O-CB 3.31Å; E33-T36 PolarHBondContact O-N 3.41Å; E33-T36 PolarHBondContact O-OG1 2.93Å; T36-G38 PolarHBondContact O-N 3.3Å; T36-K72 WeakPolarHBondContact O-CB 3.43Å; T36-K72 PolarHBondContact OG1-NZ 3.5Å; T36-I106 HydrophobicContact CG2-CG2 4.29Å; T36-A110 HydrophobicContact CG2-CB 3.82Å
37S87.2Confident86.7Confident23 Ų2337.9 Ų37.916%0.16120%0.198CC..THydrogen-bonded Turntrans-65.6-21175.867.70000113.7D34 L35 V39 N75D34-S37 PolarHBondContact O-OG 2.87Å; L35-S37 PolarHBondContact O-N 2.95Å; L35-S37 VanDerWaalsContact O-N 3.12Å; S37-V39 PolarHBondContact O-N 2.93Å; S37-V39 PolarHBondContact OG-N 3.47Å; S37-N75 PolarHBondContact O-ND2 2.9Å; S37-N75 VanDerWaalsContact O-ND2 3.12Å
38G87.4Confident87.4Confident0 Ų037.1 Ų37.10%019%0.192CC..SBendtrans74.3-8.1-173.600000114.5L35 T36 M41 A42 I79L35-G38 PolarHBondContact O-N 3.42Å; T36-G38 PolarHBondContact O-N 3.3Å; G38-M41 PolarHBondContact O-N 3.29Å; G38-A42 WeakPolarHBondContact O-CB 3.45Å; G38-A42 PolarHBondContact O-N 3.35Å; G38-I79 VanDerWaalsContact CA-CD1 3.43Å; G38-I79 WeakPolarHBondContact O-CD1 3.44Å
39V90.3Very high88Confident20 Ų2033.8 Ų33.812%0.12117%0.169CC..Hα-helixtrans-66.7-45.4-176.1-178.80000110.9A27 S37 M41 A42 Q43 I61 P63A27-V39 HydrophobicContact CB-CG1 4.24Å; S37-V39 PolarHBondContact O-N 2.93Å; S37-V39 PolarHBondContact OG-N 3.47Å; V39-M41 PolarHBondContact O-N 3.31Å; V39-A42 PolarHBondContact O-N 3.42Å; V39-Q43 WeakPolarHBondContact O-CG 3.34Å; V39-Q43 PolarHBondContact O-N 3.35Å; V39-I61 HydrophobicContact CG2-CG2 4.4Å; V39-P63 HydrophobicContact CG2-CB 4.49Å
40V91.1Very high88.3Confident0 Ų038.6 Ų38.60%019%0.192CC..Hα-helixtrans-57.7-48.8176.6172.30000110.8I20 V25 A27 P28 C29 L35 A42 Q43 V44I20-V40 HydrophobicContact CG2-CG1 3.7Å; V25-V40 HydrophobicContact CG2-CG1 4.09Å; A27-V40 HydrophobicContact CB-CG2 3.72Å; P28-V40 WeakPolarHBondContact O-CG2 3.48Å; C29-V40 HydrophobicContact CB-CG1 3.91Å; C29-V40 HydrophobicContact CB-CG2 4.12Å; L35-V40 HydrophobicContact CD1-CG1 4.16Å; L35-V40 HydrophobicContact CD1-CG2 4.48Å; L35-V40 HydrophobicContact CG-CB 4.29Å; L35-V40 HydrophobicContact CG-CG1 4.07Å; V40-A42 VanDerWaalsContact C-N 3.33Å; V40-A42 PolarHBondContact O-N 3.16Å; V40-Q43 PolarHBondContact O-N 3.4Å; V40-V44 WeakPolarHBondContact O-CG2 3.35Å; V40-V44 PolarHBondContact O-N 2.92Å
41M91.8Very high88.7Confident0 Ų034.8 Ų34.80%019%0.187CC..Hα-helixtrans-60.9-41.3178.8-65.2176.6-169.400112.3L35 G38 V39 V44 L45 L76 I79 L115 M118 L119 I122L35-M41 HydrophobicContact CB-CE 4.41Å; G38-M41 PolarHBondContact O-N 3.29Å; V39-M41 PolarHBondContact O-N 3.31Å; M41-V44 PolarHBondContact O-N 3.47Å; M41-L45 WeakPolarHBondContact O-CB 3.49Å; M41-L45 WeakPolarHBondContact O-CG 3.41Å; M41-L45 PolarHBondContact O-N 3.35Å; M41-L76 HydrophobicContact CE-CD2 4.14Å; M41-L76 HydrophobicContact SD-CD2 3.88Å; M41-I79 HydrophobicContact CB-CD1 4.28Å; M41-I79 HydrophobicContact CB-CG2 4.15Å; M41-I79 HydrophobicContact SD-CG2 4.46Å; M41-L115 HydrophobicContact CE-CD1 3.09Å; M41-L115 HydrophobicContact CE-CG 4.42Å; M41-M118 HydrophobicContact CE-CB 4.39Å; M41-M118 HydrophobicContact CE-CG 3.86Å; M41-M118 HydrophobicContact SD-CE 4.03Å; M41-M118 HydrophobicContact SD-CG 3.63Å; M41-L119 HydrophobicContact CE-CD2 4.21Å; M41-L119 HydrophobicContact CG-CD2 4.3Å; M41-I122 HydrophobicContact CB-CD1 3.67Å; M41-I122 HydrophobicContact CG-CD1 3.68Å; M41-I122 HydrophobicContact SD-CD1 4.14Å
42A91.5Very high88.9Confident0 Ų034.3 Ų34.30%018%0.179CC..Hα-helixtrans-65.7-40.2178.700000112G38 V39 V40 L45 Q46 W57 I58 I61 I79G38-A42 WeakPolarHBondContact O-CB 3.45Å; G38-A42 PolarHBondContact O-N 3.35Å; V39-A42 PolarHBondContact O-N 3.42Å; V40-A42 VanDerWaalsContact C-N 3.33Å; V40-A42 PolarHBondContact O-N 3.16Å; A42-L45 PolarHBondContact O-N 2.87Å; A42-Q46 PolarHBondContact O-N 2.88Å; A42-W57 HydrophobicContact CB-CH2 4.16Å; A42-W57 HydrophobicContact CB-CZ3 3.86Å; A42-I58 HydrophobicContact CB-CG1 4.18Å; A42-I61 HydrophobicContact CB-CB 4.39Å; A42-I61 HydrophobicContact CB-CG1 3.87Å; A42-I61 HydrophobicContact CB-CG2 4.25Å; A42-I79 HydrophobicContact CB-CD1 4.37Å; A42-I79 HydrophobicContact CB-CG1 4.37Å
43Q89.9Confident89.3Confident35 Ų3532.5 Ų32.516%0.16417%0.168CC..Hα-helixtrans-65.7-38.8174.6-71.8176.8-17.500112V25 V39 V40 Q46 K47 I58V25-Q43 HydrophobicContact CB-CB 4.23Å; V25-Q43 HydrophobicContact CG1-CB 3.94Å; V39-Q43 WeakPolarHBondContact O-CG 3.34Å; V39-Q43 PolarHBondContact O-N 3.35Å; V40-Q43 PolarHBondContact O-N 3.4Å; Q43-Q46 PolarHBondContact O-N 3.36Å; Q43-K47 PolarHBondContact O-N 3.44Å; Q43-K47 VanDerWaalsContact O-N 3.1Å; Q43-I58 HydrophobicContact CG-CD1 3.95Å
44V91.8Very high89.6Confident0 Ų029.9 Ų29.90%016%0.157CC..Hα-helixtrans-65.1-45.9175170.10000111.1I20 F23 V25 V40 M41 Q46 K47 I48 I122I20-V44 HydrophobicContact CD1-CB 4.36Å; I20-V44 HydrophobicContact CD1-CG1 3.86Å; I20-V44 HydrophobicContact CD1-CG2 4.04Å; I20-V44 HydrophobicContact CG2-CG2 4.17Å; F23-V44 HydrophobicContact CB-CG2 4.09Å; F23-V44 HydrophobicContact CD1-CG1 3.96Å; F23-V44 HydrophobicContact CD1-CG2 4.39Å; F23-V44 HydrophobicContact CD2-CG1 4.25Å; F23-V44 HydrophobicContact CD2-CG2 4.4Å; F23-V44 HydrophobicContact CE1-CG1 3.82Å; F23-V44 HydrophobicContact CE2-CG1 4.12Å; F23-V44 HydrophobicContact CG-CG1 4.17Å; F23-V44 HydrophobicContact CG-CG2 4.05Å; F23-V44 HydrophobicContact CZ-CG1 3.91Å; V25-V44 HydrophobicContact CG1-CG2 3.94Å; V40-V44 WeakPolarHBondContact O-CG2 3.35Å; V40-V44 PolarHBondContact O-N 2.92Å; M41-V44 PolarHBondContact O-N 3.47Å; V44-Q46 VanDerWaalsContact C-N 3.29Å; V44-Q46 PolarHBondContact O-N 3.04Å; V44-K47 WeakPolarHBondContact O-CA 3.41Å; V44-K47 WeakPolarHBondContact O-CB 3.34Å; V44-K47 PolarHBondContact O-N 2.85Å; V44-I48 HydrophobicContact CG1-CD1 3.82Å; V44-I48 HydrophobicContact CG1-CG1 4.38Å; V44-I48 WeakPolarHBondContact O-CG1 3.21Å; V44-I48 PolarHBondContact O-N 3.29Å; V44-I122 HydrophobicContact CG1-CG2 3.82Å
45L92.2Very high89.7Confident0 Ų032.9 Ų32.90%017%0.174CC..Hα-helixtrans-60.3-39.1176.1-74.7167000112.4M41 A42 K47 I48 D49 F53 W57 I79 I83 I122M41-L45 WeakPolarHBondContact O-CB 3.49Å; M41-L45 WeakPolarHBondContact O-CG 3.41Å; M41-L45 PolarHBondContact O-N 3.35Å; A42-L45 PolarHBondContact O-N 2.87Å; L45-K47 VanDerWaalsContact C-N 3.3Å; L45-K47 PolarHBondContact O-N 2.85Å; L45-I48 HydrophobicContact CD2-CD1 4.34Å; L45-I48 PolarHBondContact O-N 2.86Å; L45-D49 PolarHBondContact O-N 3.25Å; L45-D49 VanDerWaalsContact O-N 3.08Å; L45-F53 HydrophobicContact CB-CB 4.42Å; L45-F53 HydrophobicContact CB-CD1 4.08Å; L45-F53 HydrophobicContact CB-CD2 3.88Å; L45-F53 HydrophobicContact CB-CE1 4.28Å; L45-F53 HydrophobicContact CB-CE2 4.1Å; L45-F53 HydrophobicContact CB-CG 3.87Å; L45-F53 HydrophobicContact CB-CZ 4.29Å; L45-F53 HydrophobicContact CD1-CE1 4.21Å; L45-F53 HydrophobicContact CD1-CZ 4.34Å; L45-F53 HydrophobicContact CD2-CD2 4.43Å; L45-F53 HydrophobicContact CD2-CE2 3.82Å; L45-F53 HydrophobicContact CD2-CZ 3.87Å; L45-F53 HydrophobicContact CG-CE2 4.47Å; L45-F53 HydrophobicContact CG-CZ 4.4Å; L45-F53 VanDerWaalsContact O-CD2 3.25Å; L45-F53 WeakPolarHBondContact O-CD2 3.36Å; L45-W57 HydrophobicContact CB-CH2 4.42Å; L45-W57 HydrophobicContact CB-CZ3 4.42Å; L45-W57 HydrophobicContact CD1-CH2 3.85Å; L45-I79 HydrophobicContact CD1-CG2 3.66Å; L45-I83 HydrophobicContact CD1-CD1 4.06Å; L45-I83 HydrophobicContact CD1-CG1 3.74Å; L45-I83 HydrophobicContact CD2-CG1 3.97Å; L45-I122 HydrophobicContact CD2-CG1 4.18Å; L45-I122 HydrophobicContact CD2-CG2 4.12Å; L45-I122 HydrophobicContact CG-CG1 4.35Å; L45-I122 HydrophobicContact CG-CG2 4.41Å
46Q91.6Very high89.8Confident35 Ų3536 Ų3616%0.16420%0.2CC..Hα-helixtrans-60.9-37.2172.4177.4172.453.100112.6A42 Q43 V44 D49 I50 F53 D55 I58A42-Q46 PolarHBondContact O-N 2.88Å; Q43-Q46 PolarHBondContact O-N 3.36Å; V44-Q46 VanDerWaalsContact C-N 3.29Å; V44-Q46 PolarHBondContact O-N 3.04Å; Q46-D49 CarbonylContact O-C 3.6Å; Q46-I50 HydrophobicContact CG-CG1 4.36Å; Q46-I50 WeakPolarHBondContact O-CA 3.49Å; Q46-I50 PolarHBondContact O-N 3.21Å; Q46-F53 HydrophobicContact CB-CB 4.44Å; Q46-F53 WeakPolarHBondContact CB-O 3.47Å; Q46-F53 WeakPolarHBondContact CG-O 3.32Å; Q46-D55 PolarHBondContact NE2-OD1 3.28Å; Q46-I58 HydrophobicContact CB-CD1 4.29Å; Q46-I58 VanDerWaalsContact OE1-CD1 3.27Å
47K88.4Confident89.9Confident102 Ų10237.3 Ų37.344%0.44320%0.204SC..Hα-helixtrans-70.5-38174.3-72.5-167.5177-164.90112.4F23 G24 Q43 V44 L45 Y135F23-K47 HydrophobicContact CB-CD 4.45Å; F23-K47 HydrophobicContact CD1-CB 4.11Å; F23-K47 HydrophobicContact CD1-CD 4.22Å; F23-K47 PolarHBondContact O-NZ 3.28Å; G24-K47 PolarHBondContact O-NZ 3.14Å; Q43-K47 PolarHBondContact O-N 3.44Å; Q43-K47 VanDerWaalsContact O-N 3.1Å; V44-K47 WeakPolarHBondContact O-CA 3.41Å; V44-K47 WeakPolarHBondContact O-CB 3.34Å; V44-K47 PolarHBondContact O-N 2.85Å; L45-K47 VanDerWaalsContact C-N 3.3Å; L45-K47 PolarHBondContact O-N 2.85Å; K47-Y135 VanDerWaalsContact C-OH 3.31Å; K47-Y135 PolarHBondContact O-OH 2.88Å
48I89.9Confident90Very high3 Ų337.8 Ų37.82%0.01521%0.205CC..Hα-helixtrans-62-45.4179.5-70.6165.5000111.4F23 V44 L45 I122 C125 A126 C129 Y135F23-I48 HydrophobicContact CE1-CG1 4.03Å; F23-I48 HydrophobicContact CZ-CG1 4.34Å; V44-I48 HydrophobicContact CG1-CD1 3.82Å; V44-I48 HydrophobicContact CG1-CG1 4.38Å; V44-I48 WeakPolarHBondContact O-CG1 3.21Å; V44-I48 PolarHBondContact O-N 3.29Å; L45-I48 HydrophobicContact CD2-CD1 4.34Å; L45-I48 PolarHBondContact O-N 2.86Å; I48-I122 HydrophobicContact CD1-CG2 3.62Å; I48-C125 HydrophobicContact CG2-CB 4.36Å; I48-A126 HydrophobicContact CD1-CB 3.81Å; I48-A126 HydrophobicContact CG1-CB 3.98Å; I48-A126 HydrophobicContact CG2-CB 4.47Å; I48-C129 HydrophobicContact CG2-CB 4.04Å; I48-Y135 VanDerWaalsContact CA-OH 3.31Å; I48-Y135 WeakPolarHBondContact CA-OH 3.42Å; I48-Y135 HydrophobicContact CG1-CE2 4.27Å; I48-Y135 PolarHBondContact N-OH 3.28Å
49D89.6Confident90Very high21 Ų2143.2 Ų43.211%0.11224%0.238CC..  trans-152.792.1178.5-166.4-22.8000111.1L45 Q46 S51 Y52 F53 Y86L45-D49 PolarHBondContact O-N 3.25Å; L45-D49 VanDerWaalsContact O-N 3.08Å; Q46-D49 CarbonylContact O-C 3.6Å; D49-S51 PolarHBondContact O-N 2.86Å; D49-S51 VanDerWaalsContact OD1-CB 3.3Å; D49-S51 WeakPolarHBondContact OD1-CB 3.39Å; D49-S51 PolarHBondContact OD1-N 2.79Å; D49-S51 PolarHBondContact OD1-OG 3Å; D49-Y52 PolarHBondContact O-N 3.5Å; D49-Y52 PolarHBondContact OD1-N 2.79Å; D49-F53 HydrophobicContact CB-CD2 4.4Å; D49-F53 WeakPolarHBondContact O-CB 3.44Å; D49-F53 PolarHBondContact O-N 3.42Å; D49-Y86 HydrophobicContact CB-CE2 4.09Å; D49-Y86 VanDerWaalsContact OD2-CE2 3.25Å; D49-Y86 WeakPolarHBondContact OD2-CE2 3.28Å; D49-Y86 PolarHBondContact OD2-OH 2.84Å
50I88.8Confident89.9Confident119 Ų11950 Ų5061%0.6126%0.261SS*.THydrogen-bonded Turntrans-66.5-20179.2-160164.2000112.8Q46Q46-I50 HydrophobicContact CG-CG1 4.36Å; Q46-I50 WeakPolarHBondContact O-CA 3.49Å; Q46-I50 PolarHBondContact O-N 3.21Å
51S87.5Confident89.8Confident94 Ų9450.4 Ų50.466%0.65726%0.264SS*.THydrogen-bonded Turntrans-71.5-37.4179.980.10000111.2D49D49-S51 PolarHBondContact O-N 2.86Å; D49-S51 VanDerWaalsContact OD1-CB 3.3Å; D49-S51 WeakPolarHBondContact OD1-CB 3.39Å; D49-S51 PolarHBondContact OD1-N 2.79Å; D49-S51 PolarHBondContact OD1-OG 3Å
52Y89.4Confident89.6Confident57 Ų5756.3 Ų56.322%0.22429%0.289CS..THydrogen-bonded Turntrans-92.3-52.5177.9-169.4-95.6000112.1D49 N54 D85 Y86 V90D49-Y52 PolarHBondContact O-N 3.5Å; D49-Y52 PolarHBondContact OD1-N 2.79Å; Y52-N54 VanDerWaalsContact C-N 3.28Å; Y52-N54 PolarHBondContact O-N 3.28Å; Y52-N54 VanDerWaalsContact O-N 3.08Å; Y52-D85 WeakPolarHBondContact OH-CB 3.28Å; Y52-Y86 AromaticContact CD1-CD2 3.46Å; Y52-Y86 HydrophobicContact CD1-CD2 3.46Å; Y52-Y86 VanDerWaalsContact CD1-CD2 3.46Å; Y52-Y86 HydrophobicContact CD1-CE2 4.25Å; Y52-Y86 HydrophobicContact CD1-CG 4.25Å; Y52-Y86 HydrophobicContact CD2-CD2 4.08Å; Y52-Y86 AromaticContact CE1-CD2 3.88Å; Y52-Y86 HydrophobicContact CE1-CD2 3.88Å; Y52-Y86 HydrophobicContact CE1-CG 4.34Å; Y52-Y86 HydrophobicContact CE2-CD2 4.46Å; Y52-Y86 AromaticContact CG-CD2 3.56Å; Y52-Y86 HydrophobicContact CG-CD2 3.56Å; Y52-Y86 HydrophobicContact CG-CE2 4.03Å; Y52-Y86 PolarHBondContact OH-N 3.26Å; Y52-V90 HydrophobicContact CD2-CG2 3.7Å; Y52-V90 HydrophobicContact CE2-CG2 3.96Å; Y52-V90 HydrophobicContact CG-CG2 4.34Å
53F91.4Very high89Confident0 Ų061.1 Ų61.10%032%0.32CS..SBendtrans-88.261.5179.3-61.5-72.7000111.3L45 Q46 D49 W57 Y86L45-F53 HydrophobicContact CB-CB 4.42Å; L45-F53 HydrophobicContact CB-CD1 4.08Å; L45-F53 HydrophobicContact CB-CD2 3.88Å; L45-F53 HydrophobicContact CB-CE1 4.28Å; L45-F53 HydrophobicContact CB-CE2 4.1Å; L45-F53 HydrophobicContact CB-CG 3.87Å; L45-F53 HydrophobicContact CB-CZ 4.29Å; L45-F53 HydrophobicContact CD1-CE1 4.21Å; L45-F53 HydrophobicContact CD1-CZ 4.34Å; L45-F53 HydrophobicContact CD2-CD2 4.43Å; L45-F53 HydrophobicContact CD2-CE2 3.82Å; L45-F53 HydrophobicContact CD2-CZ 3.87Å; L45-F53 HydrophobicContact CG-CE2 4.47Å; L45-F53 HydrophobicContact CG-CZ 4.4Å; L45-F53 VanDerWaalsContact O-CD2 3.25Å; L45-F53 WeakPolarHBondContact O-CD2 3.36Å; Q46-F53 HydrophobicContact CB-CB 4.44Å; Q46-F53 WeakPolarHBondContact CB-O 3.47Å; Q46-F53 WeakPolarHBondContact CG-O 3.32Å; D49-F53 HydrophobicContact CB-CD2 4.4Å; D49-F53 WeakPolarHBondContact O-CB 3.44Å; D49-F53 PolarHBondContact O-N 3.42Å; F53-W57 HydrophobicContact CB-CE3 4.06Å; F53-W57 HydrophobicContact CB-CZ3 4.29Å; F53-W57 AromaticContact CD1-CD2 3.74Å; F53-W57 HydrophobicContact CD1-CD2 3.74Å; F53-W57 AromaticContact CD1-CE2 3.72Å; F53-W57 AromaticContact CD1-CE3 3.68Å; F53-W57 HydrophobicContact CD1-CE3 3.68Å; F53-W57 HydrophobicContact CD1-CG 4.48Å; F53-W57 AromaticContact CD1-CH2 3.64Å; F53-W57 HydrophobicContact CD1-CH2 3.64Å; F53-W57 AromaticContact CD1-CZ2 3.69Å; F53-W57 HydrophobicContact CD1-CZ2 3.69Å; F53-W57 AromaticContact CD1-CZ3 3.63Å; F53-W57 HydrophobicContact CD1-CZ3 3.63Å; F53-W57 AromaticContact CE1-CH2 3.95Å; F53-W57 HydrophobicContact CE1-CH2 3.95Å; F53-W57 AromaticContact CE1-CZ2 3.77Å; F53-W57 HydrophobicContact CE1-CZ2 3.77Å; F53-W57 HydrophobicContact CE1-CZ3 4.4Å; F53-W57 HydrophobicContact CG-CE3 4.34Å; F53-W57 HydrophobicContact CG-CZ3 4.31Å; F53-Y86 AromaticContact CE2-CD2 3.99Å; F53-Y86 HydrophobicContact CE2-CD2 3.99Å; F53-Y86 HydrophobicContact CE2-CE2 4.41Å; F53-Y86 HydrophobicContact CE2-CG 4.04Å; F53-Y86 HydrophobicContact CZ-CD2 4.39Å; F53-Y86 HydrophobicContact CZ-CG 4.19Å
54N89.9Confident88.2Confident68 Ų6868 Ų6836%0.36435%0.352SS..  trans-75.3175.4-177.164.236.6000114.1Y52 A56 W57 I58Y52-N54 VanDerWaalsContact C-N 3.28Å; Y52-N54 PolarHBondContact O-N 3.28Å; Y52-N54 VanDerWaalsContact O-N 3.08Å; N54-A56 PolarHBondContact O-N 3.39Å; N54-A56 VanDerWaalsContact O-N 3.16Å; N54-A56 WeakPolarHBondContact OD1-CA 3.39Å; N54-A56 WeakPolarHBondContact OD1-CB 3.43Å; N54-A56 PolarHBondContact OD1-N 2.94Å; N54-W57 WeakPolarHBondContact O-CA 3.41Å; N54-W57 WeakPolarHBondContact O-CB 3.47Å; N54-W57 PolarHBondContact O-N 2.91Å; N54-W57 PolarHBondContact OD1-N 3.48Å; N54-I58 PolarHBondContact O-N 3.38Å
55D88.3Confident87.1Confident112 Ų11268.1 Ų68.160%0.59935%0.354SS*.Hα-helixtrans-58.7-29.1179.9-66.1-33.1000113.6Q46 W57 I58 T59Q46-D55 PolarHBondContact NE2-OD1 3.28Å; D55-W57 VanDerWaalsContact C-N 3.33Å; D55-I58 WeakPolarHBondContact O-CG2 3.36Å; D55-T59 WeakPolarHBondContact O-CB 3.49Å; D55-T59 PolarHBondContact O-N 3.31Å; D55-T59 VanDerWaalsContact O-N 3.11Å; D55-T59 PolarHBondContact O-OG1 3.08Å
56A88.4Confident86.4Confident66 Ų6670.8 Ų70.855%0.54538%0.381SS..Hα-helixtrans-72.5-28.2176.600000112.3N54N54-A56 PolarHBondContact O-N 3.39Å; N54-A56 VanDerWaalsContact O-N 3.16Å; N54-A56 WeakPolarHBondContact OD1-CA 3.39Å; N54-A56 WeakPolarHBondContact OD1-CB 3.43Å; N54-A56 PolarHBondContact OD1-N 2.94Å
57W91.6Very high85.7Confident28 Ų2876.3 Ų76.311%0.10641%0.412CS..Hα-helixtrans-76.1-47.9172.8-178.590000111.3A42 L45 F53 N54 D55 T59 R60 I79A42-W57 HydrophobicContact CB-CH2 4.16Å; A42-W57 HydrophobicContact CB-CZ3 3.86Å; L45-W57 HydrophobicContact CB-CH2 4.42Å; L45-W57 HydrophobicContact CB-CZ3 4.42Å; L45-W57 HydrophobicContact CD1-CH2 3.85Å; F53-W57 HydrophobicContact CB-CE3 4.06Å; F53-W57 HydrophobicContact CB-CZ3 4.29Å; F53-W57 AromaticContact CD1-CD2 3.74Å; F53-W57 HydrophobicContact CD1-CD2 3.74Å; F53-W57 AromaticContact CD1-CE2 3.72Å; F53-W57 AromaticContact CD1-CE3 3.68Å; F53-W57 HydrophobicContact CD1-CE3 3.68Å; F53-W57 HydrophobicContact CD1-CG 4.48Å; F53-W57 AromaticContact CD1-CH2 3.64Å; F53-W57 HydrophobicContact CD1-CH2 3.64Å; F53-W57 AromaticContact CD1-CZ2 3.69Å; F53-W57 HydrophobicContact CD1-CZ2 3.69Å; F53-W57 AromaticContact CD1-CZ3 3.63Å; F53-W57 HydrophobicContact CD1-CZ3 3.63Å; F53-W57 AromaticContact CE1-CH2 3.95Å; F53-W57 HydrophobicContact CE1-CH2 3.95Å; F53-W57 AromaticContact CE1-CZ2 3.77Å; F53-W57 HydrophobicContact CE1-CZ2 3.77Å; F53-W57 HydrophobicContact CE1-CZ3 4.4Å; F53-W57 HydrophobicContact CG-CE3 4.34Å; F53-W57 HydrophobicContact CG-CZ3 4.31Å; N54-W57 WeakPolarHBondContact O-CA 3.41Å; N54-W57 WeakPolarHBondContact O-CB 3.47Å; N54-W57 PolarHBondContact O-N 2.91Å; N54-W57 PolarHBondContact OD1-N 3.48Å; D55-W57 VanDerWaalsContact C-N 3.33Å; W57-T59 VanDerWaalsContact C-N 3.27Å; W57-T59 PolarHBondContact O-N 3.32Å; W57-R60 VanDerWaalsContact O-CB 3.25Å; W57-R60 WeakPolarHBondContact O-CB 3.38Å; W57-R60 WeakPolarHBondContact O-CG 3.49Å; W57-R60 PolarHBondContact O-N 2.83Å; W57-I79 HydrophobicContact CH2-CG1 4.27Å
58I88.9Confident85.8Confident34 Ų3475.4 Ų75.417%0.17441%0.412CS..Hα-helixtrans-64.7-31.4-177.7-153.8168.5000112.3A42 Q43 Q46 N54 D55 R60 I61A42-I58 HydrophobicContact CB-CG1 4.18Å; Q43-I58 HydrophobicContact CG-CD1 3.95Å; Q46-I58 HydrophobicContact CB-CD1 4.29Å; Q46-I58 VanDerWaalsContact OE1-CD1 3.27Å; N54-I58 PolarHBondContact O-N 3.38Å; D55-I58 WeakPolarHBondContact O-CG2 3.36Å; I58-R60 PolarHBondContact O-N 3.42Å; I58-I61 WeakPolarHBondContact O-CB 3.46Å; I58-I61 PolarHBondContact O-N 3.41Å
59T87.6Confident85.7Confident114 Ų11479.4 Ų79.470%0.69943%0.427SS*.THydrogen-bonded Turntrans-59.4-20.9174.2-58.60000112.9D55 W57 I61D55-T59 WeakPolarHBondContact O-CB 3.49Å; D55-T59 PolarHBondContact O-N 3.31Å; D55-T59 VanDerWaalsContact O-N 3.11Å; D55-T59 PolarHBondContact O-OG1 3.08Å; W57-T59 VanDerWaalsContact C-N 3.27Å; W57-T59 PolarHBondContact O-N 3.32Å; T59-I61 VanDerWaalsContact C-N 3.26Å; T59-I61 PolarHBondContact O-N 2.87Å
60R88.3Confident85.7Confident161 Ų16186.5 Ų86.561%0.60845%0.452SS*.THydrogen-bonded Turntrans-75.1-17.3175.5-57.1176.8-176.5176.70.4112.5W57 I58 K78W57-R60 VanDerWaalsContact O-CB 3.25Å; W57-R60 WeakPolarHBondContact O-CB 3.38Å; W57-R60 WeakPolarHBondContact O-CG 3.49Å; W57-R60 PolarHBondContact O-N 2.83Å; I58-R60 PolarHBondContact O-N 3.42Å; R60-K78 HydrophobicContact CB-CD 4.42Å; R60-K78 PolarHBondContact O-NZ 3.33Å
61I89.9Confident85.7Confident10 Ų1082.3 Ų82.35%0.05143%0.431CS..SBendtrans-90.1122.4177.4-51.9-55.6000107.9V39 A42 I58 T59 P63 N75 K78 I79V39-I61 HydrophobicContact CG2-CG2 4.4Å; A42-I61 HydrophobicContact CB-CB 4.39Å; A42-I61 HydrophobicContact CB-CG1 3.87Å; A42-I61 HydrophobicContact CB-CG2 4.25Å; I58-I61 WeakPolarHBondContact O-CB 3.46Å; I58-I61 PolarHBondContact O-N 3.41Å; T59-I61 VanDerWaalsContact C-N 3.26Å; T59-I61 PolarHBondContact O-N 2.87Å; I61-P63 WeakPolarHBondContact O-CD 3.27Å; I61-N75 HydrophobicContact CG2-CB 4.12Å; I61-K78 HydrophobicContact CD1-CB 3.77Å; I61-K78 HydrophobicContact CD1-CD 4.02Å; I61-I79 HydrophobicContact CD1-CD1 4.42Å; I61-I79 HydrophobicContact CD1-CG1 3.94Å
62K87.5Confident85.8Confident123 Ų12378.9 Ų78.954%0.53540%0.404SS..  trans-88.5120.1-176.2-75.8177.3165.1-172.20110L71 N75K62-L71 HydrophobicContact CB-CD1 4.12Å; K62-L71 HydrophobicContact CB-CD2 4.34Å; K62-L71 HydrophobicContact CB-CG 4.49Å; K62-L71 HydrophobicContact CD-CD1 3.7Å; K62-L71 HydrophobicContact CD-CD2 4.45Å; K62-L71 HydrophobicContact CG-CD1 4.47Å; K62-N75 PolarHBondContact N-OD1 2.82Å; K62-N75 VanDerWaalsContact N-OD1 3.12Å; K62-N75 PolarHBondContact O-ND2 3.17Å
63P77.7Confident85.9Confident101 Ų10176.6 Ų76.666%0.65640%0.396SS*.SBendtrans-74.6-27.3-177.127.8-33.5000113.6V39 I61 A65V39-P63 HydrophobicContact CG2-CB 4.49Å; I61-P63 WeakPolarHBondContact O-CD 3.27Å; P63-A65 PolarHBondContact O-N 2.9Å
64E73.3Confident86Confident179 Ų17978.9 Ų78.984%0.83641%0.412SS*.  trans-81.953.8179.2-60.2-167.6175.600112.6
65A69.8Low86.2Confident3 Ų375.7 Ų75.73%0.02540%0.395CS..  trans-75.8-35.5178.600000112.7P63 D67 N68 L71 K72P63-A65 PolarHBondContact O-N 2.9Å; A65-D67 PolarHBondContact O-N 3.4Å; A65-N68 VanDerWaalsContact O-CB 3.31Å; A65-N68 WeakPolarHBondContact O-CB 3.48Å; A65-N68 PolarHBondContact O-N 2.68Å; A65-L71 HydrophobicContact CB-CG 4.46Å; A65-K72 HydrophobicContact CB-CG 4.09Å
66G76.4Confident86.4Confident56 Ų5670.3 Ų70.358%0.57737%0.366SS*.THydrogen-bonded Turntrans44.9-130.4-176.200000111.7K72G66-K72 WeakPolarHBondContact O-CE 3.42Å
67D77.9Confident86.6Confident151 Ų15172.3 Ų72.381%0.80736%0.363SS*.THydrogen-bonded Turntrans-90.87175.9-58.6-30.6000113.8A65 W69A65-D67 PolarHBondContact O-N 3.4Å; D67-W69 PolarHBondContact O-N 3.48Å
68N88.8Confident86.7Confident83 Ų8374.6 Ų74.644%0.44437%0.373SS..  trans-77.985.4-179.3-171.2-12.5000110.9A65 R70 L71 K72A65-N68 VanDerWaalsContact O-CB 3.31Å; A65-N68 WeakPolarHBondContact O-CB 3.48Å; A65-N68 PolarHBondContact O-N 2.68Å; N68-R70 PolarHBondContact O-N 3.47Å; N68-R70 VanDerWaalsContact O-N 3.13Å; N68-R70 PolarHBondContact OD1-N 3.27Å; N68-L71 HydrophobicContact CB-CB 4.09Å; N68-L71 WeakPolarHBondContact O-CA 3.49Å; N68-L71 WeakPolarHBondContact O-CB 3.42Å; N68-L71 PolarHBondContact O-N 3.45Å; N68-L71 PolarHBondContact OD1-N 3.33Å; N68-K72 PolarHBondContact O-N 2.91Å; N68-K72 VanDerWaalsContact O-N 3.08Å
69W88.4Confident86.9Confident88 Ų8873 Ų7333%0.33337%0.365SS..Hα-helixtrans-53-34.8-178.871-97.5000113.5D67 L71 K72 V73 G107 E108D67-W69 PolarHBondContact O-N 3.48Å; W69-L71 VanDerWaalsContact C-N 3.28Å; W69-L71 PolarHBondContact O-N 3.47Å; W69-K72 WeakPolarHBondContact O-CB 3.28Å; W69-K72 PolarHBondContact O-N 3.47Å; W69-V73 HydrophobicContact CE3-CG2 4Å; W69-V73 HydrophobicContact CZ3-CG2 4.4Å; W69-V73 VanDerWaalsContact O-CG2 3.28Å; W69-V73 WeakPolarHBondContact O-CG2 3.3Å; W69-V73 PolarHBondContact O-N 2.96Å; W69-G107 WeakPolarHBondContact CB-O 3.46Å; W69-E108 HydrophobicContact CE3-CB 4.27Å
70R88.9Confident87.2Confident169 Ų16968.6 Ų68.664%0.63834%0.337SS*.Hα-helixtrans-63.7-35.9176.8-69.1-171.1171.396.41.1112.3N68 S74N68-R70 PolarHBondContact O-N 3.47Å; N68-R70 VanDerWaalsContact O-N 3.13Å; N68-R70 PolarHBondContact OD1-N 3.27Å; R70-S74 WeakPolarHBondContact O-CB 3.25Å; R70-S74 PolarHBondContact O-N 3.25Å
71L89.5Confident87.4Confident32 Ų3267.2 Ų67.217%0.16834%0.335CS..Hα-helixtrans-73.9-39.4176.7-174.254.6000111K62 A65 N68 W69 S74 N75K62-L71 HydrophobicContact CB-CD1 4.12Å; K62-L71 HydrophobicContact CB-CD2 4.34Å; K62-L71 HydrophobicContact CB-CG 4.49Å; K62-L71 HydrophobicContact CD-CD1 3.7Å; K62-L71 HydrophobicContact CD-CD2 4.45Å; K62-L71 HydrophobicContact CG-CD1 4.47Å; A65-L71 HydrophobicContact CB-CG 4.46Å; N68-L71 HydrophobicContact CB-CB 4.09Å; N68-L71 WeakPolarHBondContact O-CA 3.49Å; N68-L71 WeakPolarHBondContact O-CB 3.42Å; N68-L71 PolarHBondContact O-N 3.45Å; N68-L71 PolarHBondContact OD1-N 3.33Å; W69-L71 VanDerWaalsContact C-N 3.28Å; W69-L71 PolarHBondContact O-N 3.47Å; L71-S74 WeakPolarHBondContact O-CB 3.48Å; L71-S74 PolarHBondContact O-N 3.25Å; L71-N75 PolarHBondContact O-N 2.91Å
72K90.3Very high87.4Confident21 Ų2166.9 Ų66.99%0.09133%0.334CS..Hα-helixtrans-55.2-53170.2-63.2-171.7-179.6-174.30111.3T36 A65 G66 N68 W69 S74 N75 L76T36-K72 WeakPolarHBondContact O-CB 3.43Å; T36-K72 PolarHBondContact OG1-NZ 3.5Å; A65-K72 HydrophobicContact CB-CG 4.09Å; G66-K72 WeakPolarHBondContact O-CE 3.42Å; N68-K72 PolarHBondContact O-N 2.91Å; N68-K72 VanDerWaalsContact O-N 3.08Å; W69-K72 WeakPolarHBondContact O-CB 3.28Å; W69-K72 PolarHBondContact O-N 3.47Å; K72-S74 VanDerWaalsContact C-N 3.29Å; K72-S74 PolarHBondContact O-N 2.85Å; K72-N75 WeakPolarHBondContact O-CB 3.41Å; K72-N75 PolarHBondContact O-N 3.38Å; K72-N75 VanDerWaalsContact O-N 3.11Å; K72-L76 WeakPolarHBondContact O-CG 3.48Å; K72-L76 PolarHBondContact O-N 2.95Å
73V92.1Very high87.6Confident9 Ų961 Ų616%0.05531%0.309CS..Hα-helixtrans-57.8-40.5176175.10000111.7W69 L76 K77 V103 N104W69-V73 HydrophobicContact CE3-CG2 4Å; W69-V73 HydrophobicContact CZ3-CG2 4.4Å; W69-V73 VanDerWaalsContact O-CG2 3.28Å; W69-V73 WeakPolarHBondContact O-CG2 3.3Å; W69-V73 PolarHBondContact O-N 2.96Å; V73-L76 PolarHBondContact O-N 2.81Å; V73-K77 HydrophobicContact CG1-CD 4.17Å; V73-K77 HydrophobicContact CG1-CG 4.45Å; V73-K77 WeakPolarHBondContact O-CB 3.25Å; V73-K77 WeakPolarHBondContact O-CG 3.44Å; V73-K77 PolarHBondContact O-N 3.18Å; V73-V103 HydrophobicContact CG1-CG2 4.39Å; V73-N104 WeakPolarHBondContact CG1-OD1 3.19Å
74S92.7Very high88.2Confident49 Ų4958.7 Ų58.734%0.34329%0.291SS..Hα-helixtrans-63.5-41.1177.3-174.10000112.6R70 L71 K72 K78R70-S74 WeakPolarHBondContact O-CB 3.25Å; R70-S74 PolarHBondContact O-N 3.25Å; L71-S74 WeakPolarHBondContact O-CB 3.48Å; L71-S74 PolarHBondContact O-N 3.25Å; K72-S74 VanDerWaalsContact C-N 3.29Å; K72-S74 PolarHBondContact O-N 2.85Å; S74-K78 WeakPolarHBondContact O-CG 3.19Å; S74-K78 PolarHBondContact O-N 3.45Å
75N93.1Very high89Confident0 Ų052.5 Ų52.50%026%0.264CS..Hα-helixtrans-65.5-49.4174.5-74.5-11.9000110.9S37 I61 K62 L71 K72 K77 K78 I79S37-N75 PolarHBondContact O-ND2 2.9Å; S37-N75 VanDerWaalsContact O-ND2 3.12Å; I61-N75 HydrophobicContact CG2-CB 4.12Å; K62-N75 PolarHBondContact N-OD1 2.82Å; K62-N75 VanDerWaalsContact N-OD1 3.12Å; K62-N75 PolarHBondContact O-ND2 3.17Å; L71-N75 PolarHBondContact O-N 2.91Å; K72-N75 WeakPolarHBondContact O-CB 3.41Å; K72-N75 PolarHBondContact O-N 3.38Å; K72-N75 VanDerWaalsContact O-N 3.11Å; N75-K77 VanDerWaalsContact C-N 3.31Å; N75-K77 PolarHBondContact O-N 3.27Å; N75-K78 WeakPolarHBondContact O-CB 3.36Å; N75-K78 PolarHBondContact O-N 3.28Å; N75-I79 WeakPolarHBondContact O-CD1 3.24Å; N75-I79 WeakPolarHBondContact O-CG1 3.46Å; N75-I79 PolarHBondContact O-N 2.82Å
76L93.2Very high90Very high0 Ų052.4 Ų52.40%026%0.263CS..Hα-helixtrans-59.2-38.7179.5-67.3170.9000112.6M41 K72 V73 K78 I79 L80 V103 I106 M118M41-L76 HydrophobicContact CE-CD2 4.14Å; M41-L76 HydrophobicContact SD-CD2 3.88Å; K72-L76 WeakPolarHBondContact O-CG 3.48Å; K72-L76 PolarHBondContact O-N 2.95Å; V73-L76 PolarHBondContact O-N 2.81Å; L76-K78 VanDerWaalsContact C-N 3.32Å; L76-K78 PolarHBondContact O-N 3.28Å; L76-I79 PolarHBondContact O-N 2.93Å; L76-L80 WeakPolarHBondContact O-CB 3.44Å; L76-L80 PolarHBondContact O-N 3.25Å; L76-V103 HydrophobicContact CB-CB 3.87Å; L76-V103 HydrophobicContact CB-CG1 3.86Å; L76-I106 HydrophobicContact CD1-CB 3.85Å; L76-I106 HydrophobicContact CD1-CG2 3.57Å; L76-M118 HydrophobicContact CD2-CE 4.37Å
77K93.3Very high90.5Very high108 Ų10850 Ų5047%0.4724%0.236SC..Hα-helixtrans-60.4-39.3173.2-78.8179.5-179.2175.30112.9V73 N75 K81 V103V73-K77 HydrophobicContact CG1-CD 4.17Å; V73-K77 HydrophobicContact CG1-CG 4.45Å; V73-K77 WeakPolarHBondContact O-CB 3.25Å; V73-K77 WeakPolarHBondContact O-CG 3.44Å; V73-K77 PolarHBondContact O-N 3.18Å; N75-K77 VanDerWaalsContact C-N 3.31Å; N75-K77 PolarHBondContact O-N 3.27Å; K77-K81 VanDerWaalsContact O-CB 3.29Å; K77-K81 WeakPolarHBondContact O-CB 3.46Å; K77-K81 PolarHBondContact O-N 2.89Å; K77-V103 HydrophobicContact CD-CG2 4.35Å; K77-V103 HydrophobicContact CG-CG2 3.57Å
78K92.7Very high90.9Very high75 Ų7548.5 Ų48.533%0.32622%0.224SC..Hα-helixtrans-70-38.4177.8-68.4166.7-177.2165.60111.4R60 I61 S74 N75 L76 G82R60-K78 HydrophobicContact CB-CD 4.42Å; R60-K78 PolarHBondContact O-NZ 3.33Å; I61-K78 HydrophobicContact CD1-CB 3.77Å; I61-K78 HydrophobicContact CD1-CD 4.02Å; S74-K78 WeakPolarHBondContact O-CG 3.19Å; S74-K78 PolarHBondContact O-N 3.45Å; N75-K78 WeakPolarHBondContact O-CB 3.36Å; N75-K78 PolarHBondContact O-N 3.28Å; L76-K78 VanDerWaalsContact C-N 3.32Å; L76-K78 PolarHBondContact O-N 3.28Å; K78-G82 PolarHBondContact O-N 2.94Å
79I94.2Very high90.8Very high0 Ų051.3 Ų51.30%024%0.235CC..Hα-helixtrans-66.5-50.4178-64.8158.9000109.8G38 M41 A42 L45 W57 I61 N75 L76 K81 G82 I83 M118G38-I79 VanDerWaalsContact CA-CD1 3.43Å; G38-I79 WeakPolarHBondContact O-CD1 3.44Å; M41-I79 HydrophobicContact CB-CD1 4.28Å; M41-I79 HydrophobicContact CB-CG2 4.15Å; M41-I79 HydrophobicContact SD-CG2 4.46Å; A42-I79 HydrophobicContact CB-CD1 4.37Å; A42-I79 HydrophobicContact CB-CG1 4.37Å; L45-I79 HydrophobicContact CD1-CG2 3.66Å; W57-I79 HydrophobicContact CH2-CG1 4.27Å; I61-I79 HydrophobicContact CD1-CD1 4.42Å; I61-I79 HydrophobicContact CD1-CG1 3.94Å; N75-I79 WeakPolarHBondContact O-CD1 3.24Å; N75-I79 WeakPolarHBondContact O-CG1 3.46Å; N75-I79 PolarHBondContact O-N 2.82Å; L76-I79 PolarHBondContact O-N 2.93Å; I79-K81 VanDerWaalsContact C-N 3.31Å; I79-K81 PolarHBondContact O-N 3.45Å; I79-G82 PolarHBondContact O-N 3.17Å; I79-G82 VanDerWaalsContact O-N 3.07Å; I79-I83 HydrophobicContact CG2-CD1 3.89Å; I79-I83 HydrophobicContact CG2-CG1 4.49Å; I79-I83 WeakPolarHBondContact O-CG1 3.47Å; I79-I83 PolarHBondContact O-N 2.92Å; I79-M118 HydrophobicContact CB-CE 3.8Å; I79-M118 HydrophobicContact CG2-CE 3.49Å; I79-M118 VanDerWaalsContact CG2-CE 3.49Å
80L92.8Very high90.7Very high22 Ų2250.5 Ų50.512%0.11524%0.239CC..Hα-helixtrans-59.2-45.3179.2179.159000110.8L76 G82 I83 L84 P101 V103 M118 L121L76-L80 WeakPolarHBondContact O-CB 3.44Å; L76-L80 PolarHBondContact O-N 3.25Å; L80-G82 PolarHBondContact O-N 3.47Å; L80-I83 PolarHBondContact O-N 3.23Å; L80-L84 HydrophobicContact CD1-CD1 4.28Å; L80-L84 HydrophobicContact CD1-CG 4.26Å; L80-L84 HydrophobicContact CG-CD1 4.19Å; L80-L84 WeakPolarHBondContact O-CG 3.43Å; L80-L84 PolarHBondContact O-N 3.39Å; L80-P101 HydrophobicContact CD1-CG 3.8Å; L80-P101 HydrophobicContact CD2-CG 4.28Å; L80-V103 HydrophobicContact CB-CG1 4.32Å; L80-V103 HydrophobicContact CD2-CG1 3.93Å; L80-M118 HydrophobicContact CB-CE 3.89Å; L80-M118 HydrophobicContact CB-SD 4.16Å; L80-M118 HydrophobicContact CD1-SD 4.05Å; L80-L121 HydrophobicContact CD1-CD1 3.74Å
81K92.3Very high90.4Very high132 Ų13243.9 Ų43.957%0.57422%0.216SC*.Hα-helixtrans-58.7-47.3174.3-178.7174.3178.7178.30111.8K77 I79 I83 L84 D85K77-K81 VanDerWaalsContact O-CB 3.29Å; K77-K81 WeakPolarHBondContact O-CB 3.46Å; K77-K81 PolarHBondContact O-N 2.89Å; I79-K81 VanDerWaalsContact C-N 3.31Å; I79-K81 PolarHBondContact O-N 3.45Å; K81-I83 VanDerWaalsContact C-N 3.29Å; K81-I83 PolarHBondContact O-N 3.4Å; K81-L84 PolarHBondContact O-N 3.33Å; K81-D85 WeakPolarHBondContact CE-OD2 3.47Å; K81-D85 WeakPolarHBondContact CG-OD2 3.26Å; K81-D85 WeakPolarHBondContact O-CB 3.39Å; K81-D85 PolarHBondContact O-N 2.7Å
82G91.1Very high89.9Confident3 Ų345.3 Ų45.33%0.03124%0.239CC..Hα-helixtrans-60.2-38.6178.800000113.1K78 I79 L80 Y86K78-G82 PolarHBondContact O-N 2.94Å; I79-G82 PolarHBondContact O-N 3.17Å; I79-G82 VanDerWaalsContact O-N 3.07Å; L80-G82 PolarHBondContact O-N 3.47Å; G82-Y86 WeakPolarHBondContact O-CB 3.3Å; G82-Y86 PolarHBondContact O-N 2.88Å
83I91.4Very high89.3Confident0 Ų047.9 Ų47.90%025%0.251CS..Hα-helixtrans-64.9-50.9174.5-66.3163.9000110.6L45 I79 L80 K81 D85 Y86 Y87 M118 L121 I122L45-I83 HydrophobicContact CD1-CD1 4.06Å; L45-I83 HydrophobicContact CD1-CG1 3.74Å; L45-I83 HydrophobicContact CD2-CG1 3.97Å; I79-I83 HydrophobicContact CG2-CD1 3.89Å; I79-I83 HydrophobicContact CG2-CG1 4.49Å; I79-I83 WeakPolarHBondContact O-CG1 3.47Å; I79-I83 PolarHBondContact O-N 2.92Å; L80-I83 PolarHBondContact O-N 3.23Å; K81-I83 VanDerWaalsContact C-N 3.29Å; K81-I83 PolarHBondContact O-N 3.4Å; I83-D85 VanDerWaalsContact C-N 3.33Å; I83-D85 PolarHBondContact O-N 3.37Å; I83-Y86 WeakPolarHBondContact O-CA 3.19Å; I83-Y86 WeakPolarHBondContact O-CB 3.2Å; I83-Y86 PolarHBondContact O-N 3.41Å; I83-Y87 HydrophobicContact CG2-CD2 3.67Å; I83-Y87 HydrophobicContact CG2-CE2 3.58Å; I83-Y87 WeakPolarHBondContact O-CD2 3.16Å; I83-Y87 PolarHBondContact O-N 3.18Å; I83-M118 HydrophobicContact CD1-CE 4.35Å; I83-M118 HydrophobicContact CD1-SD 4.39Å; I83-L121 HydrophobicContact CG2-CB 3.96Å; I83-I122 HydrophobicContact CD1-CD1 4.29Å; I83-I122 HydrophobicContact CD1-CG1 3.57Å; I83-I122 HydrophobicContact CG1-CG1 4.44Å
84L89.8Confident88.1Confident52 Ų5253.8 Ų53.827%0.27228%0.278SS..Hα-helixtrans-61-42.5-179.5-67175.6000112.2L80 K81 Y86 Y87 Q88 I95 L100L80-L84 HydrophobicContact CD1-CD1 4.28Å; L80-L84 HydrophobicContact CD1-CG 4.26Å; L80-L84 HydrophobicContact CG-CD1 4.19Å; L80-L84 WeakPolarHBondContact O-CG 3.43Å; L80-L84 PolarHBondContact O-N 3.39Å; K81-L84 PolarHBondContact O-N 3.33Å; L84-Y86 VanDerWaalsContact C-N 3.3Å; L84-Y86 PolarHBondContact O-N 2.89Å; L84-Y87 PolarHBondContact O-N 2.91Å; L84-Q88 PolarHBondContact O-N 3.45Å; L84-Q88 VanDerWaalsContact O-N 3.1Å; L84-I95 HydrophobicContact CD2-CD1 3.91Å; L84-L100 HydrophobicContact CD1-CD2 4.31Å; L84-L100 HydrophobicContact CD2-CD2 3.8Å
85D91.2Very high87Confident50 Ų5053.6 Ų53.627%0.26727%0.273SS..Hα-helixtrans-62.1-39.5174.8-64.4-15.1000110Y52 K81 I83 Q88 E89Y52-D85 WeakPolarHBondContact OH-CB 3.28Å; K81-D85 WeakPolarHBondContact CE-OD2 3.47Å; K81-D85 WeakPolarHBondContact CG-OD2 3.26Å; K81-D85 WeakPolarHBondContact O-CB 3.39Å; K81-D85 PolarHBondContact O-N 2.7Å; I83-D85 VanDerWaalsContact C-N 3.33Å; I83-D85 PolarHBondContact O-N 3.37Å; D85-Q88 PolarHBondContact O-N 3.46Å; D85-E89 VanDerWaalsContact O-CB 3.27Å; D85-E89 WeakPolarHBondContact O-CB 3.41Å; D85-E89 WeakPolarHBondContact O-CG 3.37Å; D85-E89 PolarHBondContact O-N 3.46Å
86Y90.3Very high85.4Confident1 Ų159.6 Ų59.60%0.00431%0.305CS..Hα-helixtrans-64.1-42.8175.4-173.1-103.5000113.2D49 Y52 F53 G82 I83 L84 Q88 V90 L91 C125D49-Y86 HydrophobicContact CB-CE2 4.09Å; D49-Y86 VanDerWaalsContact OD2-CE2 3.25Å; D49-Y86 WeakPolarHBondContact OD2-CE2 3.28Å; D49-Y86 PolarHBondContact OD2-OH 2.84Å; Y52-Y86 AromaticContact CD1-CD2 3.46Å; Y52-Y86 HydrophobicContact CD1-CD2 3.46Å; Y52-Y86 VanDerWaalsContact CD1-CD2 3.46Å; Y52-Y86 HydrophobicContact CD1-CE2 4.25Å; Y52-Y86 HydrophobicContact CD1-CG 4.25Å; Y52-Y86 HydrophobicContact CD2-CD2 4.08Å; Y52-Y86 AromaticContact CE1-CD2 3.88Å; Y52-Y86 HydrophobicContact CE1-CD2 3.88Å; Y52-Y86 HydrophobicContact CE1-CG 4.34Å; Y52-Y86 HydrophobicContact CE2-CD2 4.46Å; Y52-Y86 AromaticContact CG-CD2 3.56Å; Y52-Y86 HydrophobicContact CG-CD2 3.56Å; Y52-Y86 HydrophobicContact CG-CE2 4.03Å; Y52-Y86 PolarHBondContact OH-N 3.26Å; F53-Y86 AromaticContact CE2-CD2 3.99Å; F53-Y86 HydrophobicContact CE2-CD2 3.99Å; F53-Y86 HydrophobicContact CE2-CE2 4.41Å; F53-Y86 HydrophobicContact CE2-CG 4.04Å; F53-Y86 HydrophobicContact CZ-CD2 4.39Å; F53-Y86 HydrophobicContact CZ-CG 4.19Å; G82-Y86 WeakPolarHBondContact O-CB 3.3Å; G82-Y86 PolarHBondContact O-N 2.88Å; I83-Y86 WeakPolarHBondContact O-CA 3.19Å; I83-Y86 WeakPolarHBondContact O-CB 3.2Å; I83-Y86 PolarHBondContact O-N 3.41Å; L84-Y86 VanDerWaalsContact C-N 3.3Å; L84-Y86 PolarHBondContact O-N 2.89Å; Y86-Q88 VanDerWaalsContact C-N 3.28Å; Y86-Q88 PolarHBondContact O-N 3.46Å; Y86-V90 HydrophobicContact CD2-CB 3.71Å; Y86-V90 HydrophobicContact CD2-CG1 4.24Å; Y86-V90 HydrophobicContact CD2-CG2 3.5Å; Y86-V90 HydrophobicContact CE2-CB 3.64Å; Y86-V90 HydrophobicContact CE2-CG1 3.62Å; Y86-V90 HydrophobicContact CE2-CG2 3.64Å; Y86-V90 HydrophobicContact CG-CB 4.28Å; Y86-V90 HydrophobicContact CG-CG2 4.37Å; Y86-V90 WeakPolarHBondContact O-CA 3.42Å; Y86-V90 WeakPolarHBondContact O-CB 3.38Å; Y86-V90 PolarHBondContact O-N 3.11Å; Y86-L91 HydrophobicContact CD1-CD1 3.98Å; Y86-L91 HydrophobicContact CD1-CG 3.98Å; Y86-L91 HydrophobicContact CE1-CD1 3.95Å; Y86-L91 HydrophobicContact CE1-CD2 3.84Å; Y86-L91 HydrophobicContact CE1-CG 3.8Å; Y86-L91 PolarHBondContact O-N 2.84Å; Y86-C125 HydrophobicContact CD1-CB 4.16Å; Y86-C125 HydrophobicContact CE1-CB 4.14Å
87Y87Confident83.9Confident6 Ų667.9 Ų67.92%0.02435%0.349CS..Hα-helixtrans-60.2-39.7175.3-90.2-88.2000112.2I83 L84 L91 G92 Q93 I95 L121 G124 C125I83-Y87 HydrophobicContact CG2-CD2 3.67Å; I83-Y87 HydrophobicContact CG2-CE2 3.58Å; I83-Y87 WeakPolarHBondContact O-CD2 3.16Å; I83-Y87 PolarHBondContact O-N 3.18Å; L84-Y87 PolarHBondContact O-N 2.91Å; Y87-L91 HydrophobicContact CD1-CD1 3.73Å; Y87-L91 HydrophobicContact CE1-CD1 3.88Å; Y87-L91 HydrophobicContact CG-CD1 4.08Å; Y87-L91 CarbonylContact O-C 3.56Å; Y87-L91 WeakPolarHBondContact O-CB 3.47Å; Y87-G92 PolarHBondContact O-N 2.9Å; Y87-Q93 CarbonylContact C-O 3.59Å; Y87-Q93 PolarHBondContact O-N 3.44Å; Y87-I95 HydrophobicContact CD1-CD1 3.99Å; Y87-I95 HydrophobicContact CD1-CG1 3.83Å; Y87-I95 HydrophobicContact CD2-CD1 3.82Å; Y87-I95 HydrophobicContact CE1-CD1 4.23Å; Y87-I95 HydrophobicContact CE1-CG1 4.22Å; Y87-I95 HydrophobicContact CE2-CD1 4.07Å; Y87-I95 HydrophobicContact CG-CD1 3.77Å; Y87-I95 HydrophobicContact CG-CG1 4Å; Y87-L121 WeakPolarHBondContact CE2-O 3.31Å; Y87-L121 PolarHBondContact OH-O 2.73Å; Y87-G124 WeakPolarHBondContact OH-CA 3.37Å; Y87-C125 WeakPolarHBondContact CE2-SG 3.04Å; Y87-C125 PolarHBondContact OH-N 3.02Å
88Q85.9Confident83.1Confident119 Ų11964.3 Ų64.356%0.55633%0.333SS*.Hα-helixtrans-79.2-47.6-178-172.7172.15.300112.8L84 D85 Y86L84-Q88 PolarHBondContact O-N 3.45Å; L84-Q88 VanDerWaalsContact O-N 3.1Å; D85-Q88 PolarHBondContact O-N 3.46Å; Y86-Q88 VanDerWaalsContact C-N 3.28Å; Y86-Q88 PolarHBondContact O-N 3.46Å
89E87.3Confident82.3Confident142 Ų14264.8 Ų64.866%0.66434%0.343SS*.Hα-helixtrans-85.7-36.2-171.3-64.2-173175.900113.1D85D85-E89 VanDerWaalsContact O-CB 3.27Å; D85-E89 WeakPolarHBondContact O-CB 3.41Å; D85-E89 WeakPolarHBondContact O-CG 3.37Å; D85-E89 PolarHBondContact O-N 3.46Å
90V86.8Confident81.9Confident71 Ų7169 Ų6943%0.4337%0.365SS..THydrogen-bonded Turntrans-102.3-49.8-175.5-175.60000111.3Y52 Y86Y52-V90 HydrophobicContact CD2-CG2 3.7Å; Y52-V90 HydrophobicContact CE2-CG2 3.96Å; Y52-V90 HydrophobicContact CG-CG2 4.34Å; Y86-V90 HydrophobicContact CD2-CB 3.71Å; Y86-V90 HydrophobicContact CD2-CG1 4.24Å; Y86-V90 HydrophobicContact CD2-CG2 3.5Å; Y86-V90 HydrophobicContact CE2-CB 3.64Å; Y86-V90 HydrophobicContact CE2-CG1 3.62Å; Y86-V90 HydrophobicContact CE2-CG2 3.64Å; Y86-V90 HydrophobicContact CG-CB 4.28Å; Y86-V90 HydrophobicContact CG-CG2 4.37Å; Y86-V90 WeakPolarHBondContact O-CA 3.42Å; Y86-V90 WeakPolarHBondContact O-CB 3.38Å; Y86-V90 PolarHBondContact O-N 3.11Å
91L82.6Confident81.7Confident30 Ų3068.3 Ų68.316%0.15736%0.362CS..SBendtrans-81.4-19.5-176.3-55.7-178.7000113.2Y86 Y87 Q93 N128Y86-L91 HydrophobicContact CD1-CD1 3.98Å; Y86-L91 HydrophobicContact CD1-CG 3.98Å; Y86-L91 HydrophobicContact CE1-CD1 3.95Å; Y86-L91 HydrophobicContact CE1-CD2 3.84Å; Y86-L91 HydrophobicContact CE1-CG 3.8Å; Y86-L91 PolarHBondContact O-N 2.84Å; Y87-L91 HydrophobicContact CD1-CD1 3.73Å; Y87-L91 HydrophobicContact CE1-CD1 3.88Å; Y87-L91 HydrophobicContact CG-CD1 4.08Å; Y87-L91 CarbonylContact O-C 3.56Å; Y87-L91 WeakPolarHBondContact O-CB 3.47Å; L91-Q93 PolarHBondContact O-N 3.5Å; L91-N128 HydrophobicContact CD1-CB 3.73Å; L91-N128 HydrophobicContact CD2-CB 3.77Å; L91-N128 VanDerWaalsContact CD2-O 3.3Å; L91-N128 WeakPolarHBondContact CD2-O 3.42Å; L91-N128 HydrophobicContact CG-CB 4.33Å
92G78.4Confident81.5Confident62 Ų6265.1 Ų65.164%0.63935%0.351SS*.  trans60.823.5-177.600000113.5Y87Y87-G92 PolarHBondContact O-N 2.9Å
93Q76.6Confident81.5Confident75 Ų7565.4 Ų65.435%0.3535%0.352SS..  trans-110126.2-179.2-68-177.32100109.4Y87 L91Y87-Q93 CarbonylContact C-O 3.59Å; Y87-Q93 PolarHBondContact O-N 3.44Å; L91-Q93 PolarHBondContact O-N 3.5Å
94H68.4Low81.5Confident132 Ų13268.3 Ų68.361%0.61137%0.368SS*.  trans-83.3122.7165.9-72.4-71.6000108.5N96H94-N96 PolarHBondContact O-N 3.48Å
95I68.8Low81.4Confident46 Ų4668.7 Ų68.724%0.23637%0.37CS..  trans-71.483.3168.9-52.5177.6000107.1L84 Y87 F98 L121L84-I95 HydrophobicContact CD2-CD1 3.91Å; Y87-I95 HydrophobicContact CD1-CD1 3.99Å; Y87-I95 HydrophobicContact CD1-CG1 3.83Å; Y87-I95 HydrophobicContact CD2-CD1 3.82Å; Y87-I95 HydrophobicContact CE1-CD1 4.23Å; Y87-I95 HydrophobicContact CE1-CG1 4.22Å; Y87-I95 HydrophobicContact CE2-CD1 4.07Å; Y87-I95 HydrophobicContact CG-CD1 3.77Å; Y87-I95 HydrophobicContact CG-CG1 4Å; I95-F98 HydrophobicContact CG2-CB 3.18Å; I95-F98 HydrophobicContact CG2-CD1 4.24Å; I95-F98 HydrophobicContact CG2-CG 3.97Å; I95-L121 HydrophobicContact CD1-CD2 3.7Å
96N58.9Low81.3Confident126 Ų12666.4 Ų66.467%0.67436%0.357SS*.  trans-89.8135.6173-69.3-18.4000108.1H94 F98H94-N96 PolarHBondContact O-N 3.48Å; N96-F98 VanDerWaalsContact C-N 3.34Å; N96-F98 PolarHBondContact O-N 3.16Å
97D63Low81.2Confident174 Ų17466.7 Ų66.793%0.9336%0.36SS*.SBendtrans71.84.5178-51.7-33000118
98F74.8Confident81.2Confident32 Ų3271.3 Ų71.314%0.1438%0.382CS..  trans-86.3138.7168.6-167.5-103.8000112.2I95 N96 L100 R117 Q120 L121 L157I95-F98 HydrophobicContact CG2-CB 3.18Å; I95-F98 HydrophobicContact CG2-CD1 4.24Å; I95-F98 HydrophobicContact CG2-CG 3.97Å; N96-F98 VanDerWaalsContact C-N 3.34Å; N96-F98 PolarHBondContact O-N 3.16Å; F98-L100 PolarHBondContact O-N 3.42Å; F98-R117 HydrophobicContact CZ-CB 4.4Å; F98-Q120 HydrophobicContact CE2-CG 4.24Å; F98-Q120 HydrophobicContact CZ-CB 4.46Å; F98-Q120 HydrophobicContact CZ-CG 4.17Å; F98-L121 HydrophobicContact CD1-CD2 3.84Å; F98-L121 HydrophobicContact CD1-CG 4.46Å; F98-L121 HydrophobicContact CE1-CD1 4.25Å; F98-L121 HydrophobicContact CE1-CD2 3.61Å; F98-L121 HydrophobicContact CE1-CG 3.79Å; F98-L121 HydrophobicContact CZ-CD2 4.31Å; F98-L121 HydrophobicContact CZ-CG 4.43Å; F98-L157 HydrophobicContact CD2-CD2 4.35Å
99T77.4Confident81.2Confident85 Ų8571.6 Ų71.652%0.52138%0.384SS..  trans-82.3116175.1-55.30000110.6
100L84.1Confident81.2Confident90 Ų9066.5 Ų66.547%0.47137%0.366SS..  trans-63.4141.7179.4-63.7176.7000112.2L84 F98L84-L100 HydrophobicContact CD1-CD2 4.31Å; L84-L100 HydrophobicContact CD2-CD2 3.8Å; F98-L100 PolarHBondContact O-N 3.42Å
101P88.6Confident81.2Confident6 Ų665.9 Ų65.94%0.03936%0.36CS..  trans-70.2135.3-17927.5-34.2000112.5L80 V103 I106 E114 R117 M118 L121L80-P101 HydrophobicContact CD1-CG 3.8Å; L80-P101 HydrophobicContact CD2-CG 4.28Å; P101-V103 PolarHBondContact O-N 3.4Å; P101-I106 HydrophobicContact CB-CD1 4.5Å; P101-E114 VanDerWaalsContact CA-OE2 3.31Å; P101-E114 WeakPolarHBondContact CA-OE2 3.42Å; P101-R117 HydrophobicContact CB-CB 3.98Å; P101-M118 HydrophobicContact CB-CB 4.13Å; P101-M118 HydrophobicContact CG-CB 4.16Å; P101-M118 HydrophobicContact CG-SD 3.76Å; P101-L121 HydrophobicContact CG-CD1 4Å
102D88.6Confident81.4Confident65 Ų6565.3 Ų65.335%0.34836%0.36SS..  trans-81.696.8173.8-166.5-17.6000111.5N104 L105 I106 E114D102-N104 PolarHBondContact O-N 3.17Å; D102-N104 VanDerWaalsContact O-N 3.14Å; D102-N104 WeakPolarHBondContact OD1-CB 3.3Å; D102-N104 PolarHBondContact OD1-N 3.04Å; D102-N104 PolarHBondContact OD1-ND2 2.72Å; D102-L105 HydrophobicContact CB-CB 4.41Å; D102-L105 HydrophobicContact CB-CD1 4.03Å; D102-L105 HydrophobicContact CB-CG 4.15Å; D102-L105 PolarHBondContact O-N 3.25Å; D102-L105 VanDerWaalsContact O-N 3.17Å; D102-I106 PolarHBondContact O-N 2.85Å; D102-E114 HydrophobicContact CB-CG 4.46Å; D102-E114 PolarHBondContact N-OE2 3.26Å
103V91.4Very high81.8Confident9 Ų963.4 Ų63.46%0.05534%0.337CS..Hα-helixtrans-60.4-20178.2-62.40000114.7V73 L76 K77 L80 P101 G107V73-V103 HydrophobicContact CG1-CG2 4.39Å; L76-V103 HydrophobicContact CB-CB 3.87Å; L76-V103 HydrophobicContact CB-CG1 3.86Å; K77-V103 HydrophobicContact CD-CG2 4.35Å; K77-V103 HydrophobicContact CG-CG2 3.57Å; L80-V103 HydrophobicContact CB-CG1 4.32Å; L80-V103 HydrophobicContact CD2-CG1 3.93Å; P101-V103 PolarHBondContact O-N 3.4Å; V103-G107 PolarHBondContact O-N 3.22Å
104N90.8Very high82.4Confident62 Ų6260.8 Ų60.833%0.33233%0.325SS..Hα-helixtrans-74.7-42176.1-50.9-71.5000110.7V73 D102 I106 G107 E108V73-N104 WeakPolarHBondContact CG1-OD1 3.19Å; D102-N104 PolarHBondContact O-N 3.17Å; D102-N104 VanDerWaalsContact O-N 3.14Å; D102-N104 WeakPolarHBondContact OD1-CB 3.3Å; D102-N104 PolarHBondContact OD1-N 3.04Å; D102-N104 PolarHBondContact OD1-ND2 2.72Å; N104-I106 VanDerWaalsContact C-N 3.32Å; N104-I106 PolarHBondContact O-N 3.18Å; N104-G107 PolarHBondContact O-N 2.82Å; N104-E108 WeakPolarHBondContact O-CB 3.36Å; N104-E108 PolarHBondContact O-N 3.48Å
105L88.8Confident83.4Confident60 Ų6054.5 Ų54.531%0.31430%0.296SS..Hα-helixtrans-63.5-38.6176.6-65.7178.9000111.7D102 H109 A110 D111 E114D102-L105 HydrophobicContact CB-CB 4.41Å; D102-L105 HydrophobicContact CB-CD1 4.03Å; D102-L105 HydrophobicContact CB-CG 4.15Å; D102-L105 PolarHBondContact O-N 3.25Å; D102-L105 VanDerWaalsContact O-N 3.17Å; L105-H109 CarbonylContact O-C 3.59Å; L105-H109 WeakPolarHBondContact O-CA 3.41Å; L105-H109 WeakPolarHBondContact O-CB 3.37Å; L105-H109 PolarHBondContact O-N 3.42Å; L105-A110 PolarHBondContact O-N 2.77Å; L105-D111 HydrophobicContact CB-CB 4.19Å; L105-D111 PolarHBondContact O-N 2.84Å; L105-E114 HydrophobicContact CB-CG 4.29Å; L105-E114 HydrophobicContact CD1-CG 4.1Å
106I89Confident84.4Confident1 Ų152.3 Ų52.31%0.00529%0.285CS..Hα-helixtrans-64.1-43.5174.6-57.1171.3000111.1T36 L76 P101 D102 N104 A110 E114 L115 M118T36-I106 HydrophobicContact CG2-CG2 4.29Å; L76-I106 HydrophobicContact CD1-CB 3.85Å; L76-I106 HydrophobicContact CD1-CG2 3.57Å; P101-I106 HydrophobicContact CB-CD1 4.5Å; D102-I106 PolarHBondContact O-N 2.85Å; N104-I106 VanDerWaalsContact C-N 3.32Å; N104-I106 PolarHBondContact O-N 3.18Å; I106-A110 VanDerWaalsContact O-CA 3.3Å; I106-A110 WeakPolarHBondContact O-CA 3.31Å; I106-A110 PolarHBondContact O-N 2.92Å; I106-E114 HydrophobicContact CD1-CB 4.09Å; I106-E114 WeakPolarHBondContact CD1-O 3.41Å; I106-E114 HydrophobicContact CG1-CB 3.64Å; I106-L115 HydrophobicContact CG2-CD1 3.99Å; I106-M118 HydrophobicContact CD1-CB 4.14Å
107G86.9Confident85.8Confident7 Ų747.8 Ų47.87%0.07226%0.259CS..Hα-helixtrans-76.1-37-175.900000114.6W69 V103 N104W69-G107 WeakPolarHBondContact CB-O 3.46Å; V103-G107 PolarHBondContact O-N 3.22Å; N104-G107 PolarHBondContact O-N 2.82Å
108E88.1Confident87.1Confident104 Ų10439.5 Ų39.549%0.48621%0.214SC..Hα-helixtrans-92-35.4-174.8-170.6169.9-177.200113.3W69 N104W69-E108 HydrophobicContact CE3-CB 4.27Å; N104-E108 WeakPolarHBondContact O-CB 3.36Å; N104-E108 PolarHBondContact O-N 3.48Å
109H86.2Confident87.9Confident125 Ų12538 Ų3858%0.57921%0.208SC*.Hα-helixtrans-119.8-0.6-174.1-60.3-51.6000114.3L105 D111L105-H109 CarbonylContact O-C 3.59Å; L105-H109 WeakPolarHBondContact O-CA 3.41Å; L105-H109 WeakPolarHBondContact O-CB 3.37Å; L105-H109 PolarHBondContact O-N 3.42Å; H109-D111 PolarHBondContact O-N 3.48Å
110A85.9Confident88.5Confident35 Ų3534 Ų3429%0.28918%0.183SC..  trans51.438.6-174.800000112.6T36 L105 I106 A112T36-A110 HydrophobicContact CG2-CB 3.82Å; L105-A110 PolarHBondContact O-N 2.77Å; I106-A110 VanDerWaalsContact O-CA 3.3Å; I106-A110 WeakPolarHBondContact O-CA 3.31Å; I106-A110 PolarHBondContact O-N 2.92Å; A110-A112 PolarHBondContact O-N 2.91Å; A110-A112 VanDerWaalsContact O-N 3.16Å
111D88.3Confident88.7Confident58 Ų5829.8 Ų29.831%0.3116%0.161SC..  trans-62.3115.4-177-171.7-16.1000111.5L105 H109 A113 L115L105-D111 HydrophobicContact CB-CB 4.19Å; L105-D111 PolarHBondContact O-N 2.84Å; H109-D111 PolarHBondContact O-N 3.48Å; D111-A113 VanDerWaalsContact C-N 3.32Å; D111-A113 PolarHBondContact O-N 3.45Å; D111-A113 WeakPolarHBondContact OD1-CB 3.26Å; D111-A113 PolarHBondContact OD1-N 2.93Å; D111-L115 WeakPolarHBondContact O-CB 3.49Å; D111-L115 PolarHBondContact O-N 3.33Å
112A86.6Confident88.9Confident18 Ų1829.5 Ų29.515%0.14916%0.159CC..Hα-helixtrans-65.7-31.3-178.900000112.8C13 V32 A110 L115 G116C13-A112 HydrophobicContact CB-CB 4.26Å; C13-A112 WeakPolarHBondContact CB-O 3.36Å; C13-A112 PolarHBondContact SG-O 3.35Å; V32-A112 HydrophobicContact CG1-CB 4.33Å; A110-A112 PolarHBondContact O-N 2.91Å; A110-A112 VanDerWaalsContact O-N 3.16Å; A112-L115 PolarHBondContact O-N 3Å; A112-G116 PolarHBondContact O-N 3.33Å
113A86.6Confident89Confident21 Ų2126.4 Ų26.417%0.17414%0.142CC..Hα-helixtrans-70.1-44.8-178.200000111.5R9 D111 L115 G116 R117R9-A113 HydrophobicContact CB-CB 3.97Å; D111-A113 VanDerWaalsContact C-N 3.32Å; D111-A113 PolarHBondContact O-N 3.45Å; D111-A113 WeakPolarHBondContact OD1-CB 3.26Å; D111-A113 PolarHBondContact OD1-N 2.93Å; A113-L115 VanDerWaalsContact C-N 3.34Å; A113-G116 PolarHBondContact O-N 2.84Å; A113-R117 PolarHBondContact O-N 2.89Å
114E89Confident88.9Confident21 Ų2126 Ų2610%0.09814%0.14CC..Hα-helixtrans-71.2-32.8176.2-63.9-58.3141.200111.4P101 D102 L105 I106 R117 M118P101-E114 VanDerWaalsContact CA-OE2 3.31Å; P101-E114 WeakPolarHBondContact CA-OE2 3.42Å; D102-E114 HydrophobicContact CB-CG 4.46Å; D102-E114 PolarHBondContact N-OE2 3.26Å; L105-E114 HydrophobicContact CB-CG 4.29Å; L105-E114 HydrophobicContact CD1-CG 4.1Å; I106-E114 HydrophobicContact CD1-CB 4.09Å; I106-E114 WeakPolarHBondContact CD1-O 3.41Å; I106-E114 HydrophobicContact CG1-CB 3.64Å; E114-R117 PolarHBondContact O-N 2.81Å; E114-R117 IonicContact OE1-CZ 3.92Å; E114-R117 IonicContact OE1-NH1 3.28Å; E114-R117 PolarHBondContact OE1-NH1 3.37Å; E114-R117 IonicContact OE2-NH1 3.86Å; E114-R117 PolarHBondContact OE2-NH1 2.91Å; E114-M118 PolarHBondContact O-N 3.41Å; E114-M118 VanDerWaalsContact O-N 3.09Å
115L90Very high88.8Confident0 Ų023 Ų230%012%0.124CC..Hα-helixtrans-62.5-44.2170.8-174.766.4000111.7V32 L35 M41 I106 D111 A112 A113 R117 M118 L119V32-L115 HydrophobicContact CB-CD2 4.16Å; V32-L115 HydrophobicContact CG1-CD2 3.52Å; L35-L115 HydrophobicContact CB-CD1 4.17Å; L35-L115 HydrophobicContact CB-CD2 4.05Å; L35-L115 HydrophobicContact CD2-CD2 4.36Å; M41-L115 HydrophobicContact CE-CD1 3.09Å; M41-L115 HydrophobicContact CE-CG 4.42Å; I106-L115 HydrophobicContact CG2-CD1 3.99Å; D111-L115 WeakPolarHBondContact O-CB 3.49Å; D111-L115 PolarHBondContact O-N 3.33Å; A112-L115 PolarHBondContact O-N 3Å; A113-L115 VanDerWaalsContact C-N 3.34Å; L115-R117 VanDerWaalsContact C-N 3.32Å; L115-R117 PolarHBondContact O-N 3.49Å; L115-M118 WeakPolarHBondContact O-CB 3.43Å; L115-M118 PolarHBondContact O-N 2.73Å; L115-M118 VanDerWaalsContact O-N 3.12Å; L115-L119 WeakPolarHBondContact O-CG 3.32Å; L115-L119 PolarHBondContact O-N 3.46Å
116G88.5Confident88.8Confident0 Ų020.1 Ų20.10%011%0.109CC..Hα-helixtrans-56.7-43.7176.100000112.4L16 A112 A113 M118 L119 Q120L16-G116 WeakPolarHBondContact CD1-O 3.39Å; A112-G116 PolarHBondContact O-N 3.33Å; A113-G116 PolarHBondContact O-N 2.84Å; G116-M118 PolarHBondContact O-N 3.38Å; G116-L119 PolarHBondContact O-N 2.84Å; G116-Q120 WeakPolarHBondContact O-CB 3.34Å; G116-Q120 PolarHBondContact O-N 3.3Å
117R88.8Confident88.8Confident31 Ų3120.7 Ų20.712%0.11711%0.112CC..Hα-helixtrans-63.2-40174.5-72.1178.7176.4168.5-2.1113.1R9 F98 P101 A113 E114 L115 L119 Q120 L121R9-R117 VanDerWaalsContact CZ-NH2 3.34Å; F98-R117 HydrophobicContact CZ-CB 4.4Å; P101-R117 HydrophobicContact CB-CB 3.98Å; A113-R117 PolarHBondContact O-N 2.89Å; E114-R117 PolarHBondContact O-N 2.81Å; E114-R117 IonicContact OE1-CZ 3.92Å; E114-R117 IonicContact OE1-NH1 3.28Å; E114-R117 PolarHBondContact OE1-NH1 3.37Å; E114-R117 IonicContact OE2-NH1 3.86Å; E114-R117 PolarHBondContact OE2-NH1 2.91Å; L115-R117 VanDerWaalsContact C-N 3.32Å; L115-R117 PolarHBondContact O-N 3.49Å; R117-L119 VanDerWaalsContact C-N 3.33Å; R117-Q120 WeakPolarHBondContact O-CB 3.43Å; R117-Q120 PolarHBondContact O-N 2.89Å; R117-L121 PolarHBondContact O-N 3.04Å; R117-L121 VanDerWaalsContact O-N 3.14Å
118M90.6Very high88.8Confident0 Ų021.9 Ų21.90%012%0.117CC..Hα-helixtrans-62.8-41.9175.6-171.868161.900111.3M41 L76 I79 L80 I83 P101 I106 E114 L115 G116 L121 I122M41-M118 HydrophobicContact CE-CB 4.39Å; M41-M118 HydrophobicContact CE-CG 3.86Å; M41-M118 HydrophobicContact SD-CE 4.03Å; M41-M118 HydrophobicContact SD-CG 3.63Å; L76-M118 HydrophobicContact CD2-CE 4.37Å; I79-M118 HydrophobicContact CB-CE 3.8Å; I79-M118 HydrophobicContact CG2-CE 3.49Å; I79-M118 VanDerWaalsContact CG2-CE 3.49Å; L80-M118 HydrophobicContact CB-CE 3.89Å; L80-M118 HydrophobicContact CB-SD 4.16Å; L80-M118 HydrophobicContact CD1-SD 4.05Å; I83-M118 HydrophobicContact CD1-CE 4.35Å; I83-M118 HydrophobicContact CD1-SD 4.39Å; P101-M118 HydrophobicContact CB-CB 4.13Å; P101-M118 HydrophobicContact CG-CB 4.16Å; P101-M118 HydrophobicContact CG-SD 3.76Å; I106-M118 HydrophobicContact CD1-CB 4.14Å; E114-M118 PolarHBondContact O-N 3.41Å; E114-M118 VanDerWaalsContact O-N 3.09Å; L115-M118 WeakPolarHBondContact O-CB 3.43Å; L115-M118 PolarHBondContact O-N 2.73Å; L115-M118 VanDerWaalsContact O-N 3.12Å; G116-M118 PolarHBondContact O-N 3.38Å; M118-L121 PolarHBondContact O-N 3.4Å; M118-I122 WeakPolarHBondContact O-CG1 3.43Å; M118-I122 PolarHBondContact O-N 3.06Å
119L91.3Very high88.7Confident0 Ų017.1 Ų17.10%010%0.095CC..Hα-helixtrans-68-35.4175-66.5-176.4000112.7L16 I20 L35 M41 L115 G116 R117 L121 I122 L123L16-L119 HydrophobicContact CB-CB 3.9Å; L16-L119 HydrophobicContact CB-CD1 3.94Å; L16-L119 HydrophobicContact CD1-CB 3.85Å; L16-L119 HydrophobicContact CG-CB 4.49Å; I20-L119 HydrophobicContact CD1-CD2 3.99Å; I20-L119 HydrophobicContact CG1-CD1 4.32Å; I20-L119 HydrophobicContact CG1-CD2 3.81Å; L35-L119 HydrophobicContact CD2-CD1 3.84Å; L35-L119 HydrophobicContact CD2-CD2 3.99Å; L35-L119 HydrophobicContact CD2-CG 4.4Å; M41-L119 HydrophobicContact CE-CD2 4.21Å; M41-L119 HydrophobicContact CG-CD2 4.3Å; L115-L119 WeakPolarHBondContact O-CG 3.32Å; L115-L119 PolarHBondContact O-N 3.46Å; G116-L119 PolarHBondContact O-N 2.84Å; R117-L119 VanDerWaalsContact C-N 3.33Å; L119-L121 VanDerWaalsContact C-N 3.31Å; L119-L121 PolarHBondContact O-N 3.39Å; L119-I122 HydrophobicContact CD2-CD1 4.2Å; L119-I122 WeakPolarHBondContact O-CB 3.26Å; L119-I122 PolarHBondContact O-N 3.23Å; L119-I122 VanDerWaalsContact O-N 3.16Å; L119-L123 PolarHBondContact O-N 3.49Å
120Q89.9Confident88.7Confident2 Ų220.1 Ų20.11%0.00911%0.11CC..Hα-helixtrans-61.3-40.4176.1179.8172.919.400111.2L16 F98 G116 R117 I122 L123 G124 A153 E156 L157L16-Q120 HydrophobicContact CD1-CB 4.01Å; F98-Q120 HydrophobicContact CE2-CG 4.24Å; F98-Q120 HydrophobicContact CZ-CB 4.46Å; F98-Q120 HydrophobicContact CZ-CG 4.17Å; G116-Q120 WeakPolarHBondContact O-CB 3.34Å; G116-Q120 PolarHBondContact O-N 3.3Å; R117-Q120 WeakPolarHBondContact O-CB 3.43Å; R117-Q120 PolarHBondContact O-N 2.89Å; Q120-I122 PolarHBondContact O-N 3.16Å; Q120-L123 WeakPolarHBondContact O-CB 3.48Å; Q120-L123 PolarHBondContact O-N 2.95Å; Q120-G124 PolarHBondContact O-N 3.24Å; Q120-A153 HydrophobicContact CG-CB 4.1Å; Q120-A153 PolarHBondContact NE2-O 3.41Å; Q120-E156 PolarHBondContact NE2-OE2 3.36Å; Q120-L157 HydrophobicContact CG-CD1 3.66Å; Q120-L157 HydrophobicContact CG-CG 4.27Å; Q120-L157 WeakPolarHBondContact O-CD1 3.38Å
121L89.8Confident88.7Confident0 Ų023.3 Ų23.30%012%0.118CC..Hα-helixtrans-62.8-40.8174-69.3177.9000112.5L80 I83 Y87 I95 F98 P101 R117 M118 L119 G124 C125 L157L80-L121 HydrophobicContact CD1-CD1 3.74Å; I83-L121 HydrophobicContact CG2-CB 3.96Å; Y87-L121 WeakPolarHBondContact CE2-O 3.31Å; Y87-L121 PolarHBondContact OH-O 2.73Å; I95-L121 HydrophobicContact CD1-CD2 3.7Å; F98-L121 HydrophobicContact CD1-CD2 3.84Å; F98-L121 HydrophobicContact CD1-CG 4.46Å; F98-L121 HydrophobicContact CE1-CD1 4.25Å; F98-L121 HydrophobicContact CE1-CD2 3.61Å; F98-L121 HydrophobicContact CE1-CG 3.79Å; F98-L121 HydrophobicContact CZ-CD2 4.31Å; F98-L121 HydrophobicContact CZ-CG 4.43Å; P101-L121 HydrophobicContact CG-CD1 4Å; R117-L121 PolarHBondContact O-N 3.04Å; R117-L121 VanDerWaalsContact O-N 3.14Å; M118-L121 PolarHBondContact O-N 3.4Å; L119-L121 VanDerWaalsContact C-N 3.31Å; L119-L121 PolarHBondContact O-N 3.39Å; L121-G124 PolarHBondContact O-N 3.38Å; L121-C125 PolarHBondContact O-N 2.74Å; L121-C125 PolarHBondContact O-SG 3.39Å; L121-C125 VanDerWaalsContact O-SG 3.33Å; L121-L157 HydrophobicContact CD2-CD2 4.23Å
122I91.8Very high88.7Confident0 Ų024.7 Ų24.70%012%0.122CC..Hα-helixtrans-65.5-42.6176.2-63.4172.6000110.9W19 M41 V44 L45 I48 I83 M118 L119 Q120 G124 C125 A126W19-I122 HydrophobicContact CH2-CG2 4.34Å; W19-I122 HydrophobicContact CZ3-CG2 4.29Å; M41-I122 HydrophobicContact CB-CD1 3.67Å; M41-I122 HydrophobicContact CG-CD1 3.68Å; M41-I122 HydrophobicContact SD-CD1 4.14Å; V44-I122 HydrophobicContact CG1-CG2 3.82Å; L45-I122 HydrophobicContact CD2-CG1 4.18Å; L45-I122 HydrophobicContact CD2-CG2 4.12Å; L45-I122 HydrophobicContact CG-CG1 4.35Å; L45-I122 HydrophobicContact CG-CG2 4.41Å; I48-I122 HydrophobicContact CD1-CG2 3.62Å; I83-I122 HydrophobicContact CD1-CD1 4.29Å; I83-I122 HydrophobicContact CD1-CG1 3.57Å; I83-I122 HydrophobicContact CG1-CG1 4.44Å; M118-I122 WeakPolarHBondContact O-CG1 3.43Å; M118-I122 PolarHBondContact O-N 3.06Å; L119-I122 HydrophobicContact CD2-CD1 4.2Å; L119-I122 WeakPolarHBondContact O-CB 3.26Å; L119-I122 PolarHBondContact O-N 3.23Å; L119-I122 VanDerWaalsContact O-N 3.16Å; Q120-I122 PolarHBondContact O-N 3.16Å; I122-G124 VanDerWaalsContact C-N 3.3Å; I122-G124 PolarHBondContact O-N 2.87Å; I122-C125 WeakPolarHBondContact O-CB 3.35Å; I122-C125 PolarHBondContact O-N 2.79Å; I122-C125 VanDerWaalsContact O-N 3.12Å; I122-A126 PolarHBondContact O-N 3.25Å
123L90.9Very high88.7Confident0 Ų029.4 Ų29.40%014%0.14CC..Hα-helixtrans-57.8-45.5172.7172.167.2000110.9L16 W19 L119 Q120 C125 A126 V127 I139 V150 A153 I154L16-L123 HydrophobicContact CD2-CB 4.45Å; L16-L123 HydrophobicContact CD2-CD2 3.6Å; W19-L123 HydrophobicContact CD2-CD1 4.08Å; W19-L123 HydrophobicContact CE3-CB 4.37Å; W19-L123 HydrophobicContact CE3-CD1 4.3Å; W19-L123 HydrophobicContact CH2-CB 4.02Å; W19-L123 HydrophobicContact CH2-CD1 3.97Å; W19-L123 HydrophobicContact CZ2-CD1 3.68Å; W19-L123 HydrophobicContact CZ3-CB 3.87Å; W19-L123 HydrophobicContact CZ3-CD1 4.25Å; L119-L123 PolarHBondContact O-N 3.49Å; Q120-L123 WeakPolarHBondContact O-CB 3.48Å; Q120-L123 PolarHBondContact O-N 2.95Å; L123-C125 VanDerWaalsContact C-N 3.26Å; L123-C125 PolarHBondContact O-N 3Å; L123-A126 WeakPolarHBondContact O-CB 3.16Å; L123-A126 PolarHBondContact O-N 3.48Å; L123-V127 HydrophobicContact CD1-CG1 4.08Å; L123-V127 WeakPolarHBondContact O-CG2 3.28Å; L123-V127 PolarHBondContact O-N 2.85Å; L123-I139 HydrophobicContact CD1-CD1 3.85Å; L123-V150 HydrophobicContact CD1-CG1 4.07Å; L123-V150 HydrophobicContact CD2-CG1 3.81Å; L123-A153 HydrophobicContact CD2-CB 4.19Å; L123-I154 HydrophobicContact CD2-CD1 4.46Å; L123-I154 HydrophobicContact CD2-CG1 3.98Å; L123-I154 HydrophobicContact CG-CG1 4.23Å
124G88.6Confident88.8Confident0 Ų033.8 Ų33.80%016%0.158CC..Hα-helixtrans-62.6-30.5176.200000113.3Y87 Q120 L121 I122 N128Y87-G124 WeakPolarHBondContact OH-CA 3.37Å; Q120-G124 PolarHBondContact O-N 3.24Å; L121-G124 PolarHBondContact O-N 3.38Å; I122-G124 VanDerWaalsContact C-N 3.3Å; I122-G124 PolarHBondContact O-N 2.87Å; G124-N128 WeakPolarHBondContact O-CB 3.37Å; G124-N128 PolarHBondContact O-N 3.31Å; G124-N128 PolarHBondContact O-ND2 2.91Å
125C88.6Confident88.8Confident0 Ų034 Ų340%016%0.158CC..Hα-helixtrans-66-45.8168-610000111.5I48 Y86 Y87 L121 I122 L123 V127 N128 C129I48-C125 HydrophobicContact CG2-CB 4.36Å; Y86-C125 HydrophobicContact CD1-CB 4.16Å; Y86-C125 HydrophobicContact CE1-CB 4.14Å; Y87-C125 WeakPolarHBondContact CE2-SG 3.04Å; Y87-C125 PolarHBondContact OH-N 3.02Å; L121-C125 PolarHBondContact O-N 2.74Å; L121-C125 PolarHBondContact O-SG 3.39Å; L121-C125 VanDerWaalsContact O-SG 3.33Å; I122-C125 WeakPolarHBondContact O-CB 3.35Å; I122-C125 PolarHBondContact O-N 2.79Å; I122-C125 VanDerWaalsContact O-N 3.12Å; L123-C125 VanDerWaalsContact C-N 3.26Å; L123-C125 PolarHBondContact O-N 3Å; C125-V127 PolarHBondContact O-N 3.31Å; C125-N128 PolarHBondContact O-N 2.84Å; C125-C129 WeakPolarHBondContact O-CB 3.43Å; C125-C129 PolarHBondContact O-N 3.19Å
126A89.7Confident88.7Confident0 Ų036.9 Ų36.90%017%0.172CC..Hα-helixtrans-64-36.3-178.300000113.3W19 I48 I122 L123 C129 K132 Y135W19-A126 HydrophobicContact CH2-CB 3.79Å; W19-A126 HydrophobicContact CZ2-CB 3.67Å; I48-A126 HydrophobicContact CD1-CB 3.81Å; I48-A126 HydrophobicContact CG1-CB 3.98Å; I48-A126 HydrophobicContact CG2-CB 4.47Å; I122-A126 PolarHBondContact O-N 3.25Å; L123-A126 WeakPolarHBondContact O-CB 3.16Å; L123-A126 PolarHBondContact O-N 3.48Å; A126-C129 PolarHBondContact O-SG 2.93Å; A126-K132 WeakPolarHBondContact O-CA 3.46Å; A126-Y135 HydrophobicContact CB-CD2 3.97Å; A126-Y135 HydrophobicContact CB-CG 4.01Å; A126-Y135 WeakPolarHBondContact O-CD2 3.29Å
127V89.5Confident88.7Confident12 Ų1242.6 Ų42.67%0.07320%0.199CC..Hα-helixtrans-83.4-13.9179.7-58.50000113.7L123 C125 K132 I136 I139 I154L123-V127 HydrophobicContact CD1-CG1 4.08Å; L123-V127 WeakPolarHBondContact O-CG2 3.28Å; L123-V127 PolarHBondContact O-N 2.85Å; C125-V127 PolarHBondContact O-N 3.31Å; V127-K132 WeakPolarHBondContact O-CB 3.49Å; V127-K132 WeakPolarHBondContact O-CD 3.37Å; V127-I136 HydrophobicContact CG1-CG1 4.4Å; V127-I139 HydrophobicContact CG1-CD1 4.35Å; V127-I154 HydrophobicContact CG1-CD1 3.8Å; V127-I154 HydrophobicContact CG1-CG1 4.26Å; V127-I154 HydrophobicContact CG2-CG1 4.36Å; V127-I154 HydrophobicContact CG2-CG2 4.41Å
128N86.2Confident88.7Confident32 Ų3243.8 Ų43.817%0.17121%0.21CC..Hα-helixtrans-108.3-7178.5-71.5-58.3000114L91 G124 C125L91-N128 HydrophobicContact CD1-CB 3.73Å; L91-N128 HydrophobicContact CD2-CB 3.77Å; L91-N128 VanDerWaalsContact CD2-O 3.3Å; L91-N128 WeakPolarHBondContact CD2-O 3.42Å; L91-N128 HydrophobicContact CG-CB 4.33Å; G124-N128 WeakPolarHBondContact O-CB 3.37Å; G124-N128 PolarHBondContact O-N 3.31Å; G124-N128 PolarHBondContact O-ND2 2.91Å; C125-N128 PolarHBondContact O-N 2.84Å
129C86.8Confident88.7Confident4 Ų444.6 Ų44.63%0.02721%0.214CC..SBendtrans-71.1170.8176.773.90000112.7I48 C125 A126 Q131 K132I48-C129 HydrophobicContact CG2-CB 4.04Å; C125-C129 WeakPolarHBondContact O-CB 3.43Å; C125-C129 PolarHBondContact O-N 3.19Å; A126-C129 PolarHBondContact O-SG 2.93Å; C129-Q131 PolarHBondContact O-N 2.77Å; C129-K132 VanDerWaalsContact O-CB 3.3Å; C129-K132 WeakPolarHBondContact O-CB 3.37Å; C129-K132 WeakPolarHBondContact O-CG 3.28Å; C129-K132 PolarHBondContact O-N 3.29Å; C129-K132 VanDerWaalsContact O-N 3.17Å
130E85.3Confident88.5Confident189 Ų18950.7 Ų50.788%0.88324%0.244SC*.THydrogen-bonded Turntrans-60-34.8179-64-170.6164.500112.5K132E130-K132 VanDerWaalsContact C-N 3.33Å; E130-K132 PolarHBondContact O-N 3.28Å
131Q86.8Confident88.5Confident102 Ų10256.8 Ų56.848%0.47728%0.281SS..THydrogen-bonded Turntrans-91.317.6179.9-64.9-177.4-13.500113.8C129 Q133 E134 Y135C129-Q131 PolarHBondContact O-N 2.77Å; Q131-Q133 PolarHBondContact O-N 2.79Å; Q131-E134 PolarHBondContact O-N 2.86Å; Q131-Y135 HydrophobicContact CB-CE2 4.47Å
132K87.4Confident88.5Confident87 Ų8758.1 Ų58.138%0.37829%0.287SS..Hα-helixtrans-50.3-29-176.861.9-175.8174.8-170.60115.7A126 V127 C129 E130 E134 Y135 I136A126-K132 WeakPolarHBondContact O-CA 3.46Å; V127-K132 WeakPolarHBondContact O-CB 3.49Å; V127-K132 WeakPolarHBondContact O-CD 3.37Å; C129-K132 VanDerWaalsContact O-CB 3.3Å; C129-K132 WeakPolarHBondContact O-CB 3.37Å; C129-K132 WeakPolarHBondContact O-CG 3.28Å; C129-K132 PolarHBondContact O-N 3.29Å; C129-K132 VanDerWaalsContact O-N 3.17Å; E130-K132 VanDerWaalsContact C-N 3.33Å; E130-K132 PolarHBondContact O-N 3.28Å; K132-E134 VanDerWaalsContact C-N 3.32Å; K132-E134 PolarHBondContact O-N 3.47Å; K132-Y135 PolarHBondContact O-N 3.34Å; K132-I136 HydrophobicContact CB-CD1 4.29Å; K132-I136 HydrophobicContact CG-CD1 4.49Å; K132-I136 WeakPolarHBondContact O-CB 3.5Å; K132-I136 WeakPolarHBondContact O-CD1 3.34Å; K132-I136 WeakPolarHBondContact O-CG1 3.43Å; K132-I136 PolarHBondContact O-N 3.4Å
133Q86.3Confident88.4Confident116 Ų11664.8 Ų64.854%0.54232%0.319SS..Hα-helixtrans-62.1-37.4179.9-66.5-63.9-37.300112.5Q131 Q137Q131-Q133 PolarHBondContact O-N 2.79Å; Q133-Q137 WeakPolarHBondContact O-CB 3.34Å; Q133-Q137 VanDerWaalsContact O-CG 3.22Å; Q133-Q137 WeakPolarHBondContact O-CG 3.43Å; Q133-Q137 PolarHBondContact O-N 3.15Å
134E88.3Confident88.2Confident114 Ų11472.7 Ų72.753%0.53336%0.356SS..Hα-helixtrans-70.1-41.1179.6-63.8-175.6-176.100111.3Q131 K132 Q137 T138Q131-E134 PolarHBondContact O-N 2.86Å; K132-E134 VanDerWaalsContact C-N 3.32Å; K132-E134 PolarHBondContact O-N 3.47Å; E134-Q137 PolarHBondContact O-N 3.24Å; E134-T138 PolarHBondContact O-N 3.44Å; E134-T138 PolarHBondContact O-OG1 2.9Å
135Y89.4Confident88.1Confident26 Ų2675.6 Ų75.610%0.10238%0.376CS..Hα-helixtrans-69.1-40.5177.1-62.5-56.4000112.5F23 K47 I48 A126 Q131 K132 T138 I139F23-Y135 HydrophobicContact CD1-CE1 4.24Å; F23-Y135 AromaticContact CE1-CD1 3.93Å; F23-Y135 HydrophobicContact CE1-CD1 3.93Å; F23-Y135 AromaticContact CE1-CE1 3.27Å; F23-Y135 HydrophobicContact CE1-CE1 3.27Å; F23-Y135 AromaticContact CE1-CZ 3.94Å; F23-Y135 AromaticContact CZ-CD1 3.73Å; F23-Y135 HydrophobicContact CZ-CD1 3.73Å; F23-Y135 AromaticContact CZ-CE1 3.59Å; F23-Y135 HydrophobicContact CZ-CE1 3.59Å; K47-Y135 VanDerWaalsContact C-OH 3.31Å; K47-Y135 PolarHBondContact O-OH 2.88Å; I48-Y135 VanDerWaalsContact CA-OH 3.31Å; I48-Y135 WeakPolarHBondContact CA-OH 3.42Å; I48-Y135 HydrophobicContact CG1-CE2 4.27Å; I48-Y135 PolarHBondContact N-OH 3.28Å; A126-Y135 HydrophobicContact CB-CD2 3.97Å; A126-Y135 HydrophobicContact CB-CG 4.01Å; A126-Y135 WeakPolarHBondContact O-CD2 3.29Å; Q131-Y135 HydrophobicContact CB-CE2 4.47Å; K132-Y135 PolarHBondContact O-N 3.34Å; Y135-T138 PolarHBondContact O-N 3.06Å; Y135-I139 WeakPolarHBondContact O-CD1 3.41Å; Y135-I139 VanDerWaalsContact O-CG1 3.31Å; Y135-I139 WeakPolarHBondContact O-CG1 3.3Å; Y135-I139 PolarHBondContact O-N 3.31Å
136I89.1Confident88.1Confident60 Ų6076 Ų7631%0.30838%0.378SS..Hα-helixtrans-63.9-43.4175-67.5165000110.6V127 K132 T138 I139 M140V127-I136 HydrophobicContact CG1-CG1 4.4Å; K132-I136 HydrophobicContact CB-CD1 4.29Å; K132-I136 HydrophobicContact CG-CD1 4.49Å; K132-I136 WeakPolarHBondContact O-CB 3.5Å; K132-I136 WeakPolarHBondContact O-CD1 3.34Å; K132-I136 WeakPolarHBondContact O-CG1 3.43Å; K132-I136 PolarHBondContact O-N 3.4Å; I136-T138 VanDerWaalsContact C-N 3.3Å; I136-T138 PolarHBondContact O-N 3.35Å; I136-I139 PolarHBondContact O-N 3.47Å; I136-M140 HydrophobicContact CG2-SD 4.45Å; I136-M140 WeakPolarHBondContact O-CG 3.5Å; I136-M140 PolarHBondContact O-N 3.28Å
137Q88.6Confident87.9Confident120 Ų12079 Ų7956%0.56139%0.392SS*.Hα-helixtrans-62.3-37.9175.7-75.9174.220.500112.3Q133 E134 M140 V141Q133-Q137 WeakPolarHBondContact O-CB 3.34Å; Q133-Q137 VanDerWaalsContact O-CG 3.22Å; Q133-Q137 WeakPolarHBondContact O-CG 3.43Å; Q133-Q137 PolarHBondContact O-N 3.15Å; E134-Q137 PolarHBondContact O-N 3.24Å; Q137-M140 PolarHBondContact O-N 3.47Å; Q137-V141 PolarHBondContact O-N 3.04Å
138T88.4Confident87.7Confident56 Ų5684.7 Ų84.734%0.34442%0.418SS..Hα-helixtrans-62.9-44.6175.3-56.60000110.9T22 E134 Y135 I136 M140 V141 M142T22-T138 HydrophobicContact CG2-CG2 4.15Å; E134-T138 PolarHBondContact O-N 3.44Å; E134-T138 PolarHBondContact O-OG1 2.9Å; Y135-T138 PolarHBondContact O-N 3.06Å; I136-T138 VanDerWaalsContact C-N 3.3Å; I136-T138 PolarHBondContact O-N 3.35Å; T138-M140 VanDerWaalsContact C-N 3.31Å; T138-M140 PolarHBondContact O-N 2.85Å; T138-V141 PolarHBondContact O-N 2.99Å; T138-M142 WeakPolarHBondContact O-CG 3.33Å
139I89.6Confident87.8Confident16 Ų1684.2 Ų84.28%0.08242%0.416CS..Hα-helixtrans-59.4-42175.9-67.7160.5000110.9L123 V127 Y135 I136 V141 M142 Q147 V150L123-I139 HydrophobicContact CD1-CD1 3.85Å; V127-I139 HydrophobicContact CG1-CD1 4.35Å; Y135-I139 WeakPolarHBondContact O-CD1 3.41Å; Y135-I139 VanDerWaalsContact O-CG1 3.31Å; Y135-I139 WeakPolarHBondContact O-CG1 3.3Å; Y135-I139 PolarHBondContact O-N 3.31Å; I136-I139 PolarHBondContact O-N 3.47Å; I139-V141 PolarHBondContact O-N 3.12Å; I139-V141 VanDerWaalsContact O-N 3.15Å; I139-M142 WeakPolarHBondContact O-CB 3.17Å; I139-M142 PolarHBondContact O-N 2.92Å; I139-M142 VanDerWaalsContact O-N 3.1Å; I139-Q147 VanDerWaalsContact O-CG 3.3Å; I139-Q147 WeakPolarHBondContact O-CG 3.4Å; I139-V150 HydrophobicContact CD1-CG1 3.82Å; I139-V150 HydrophobicContact CG1-CG1 4.13Å; I139-V150 HydrophobicContact CG2-CB 4.31Å; I139-V150 HydrophobicContact CG2-CG1 3.69Å
140M87.1Confident87.8Confident128 Ų12884 Ų8463%0.63142%0.415SS*.Hα-helixtrans-64.5-16.4-179.2-72.3-177.769.700115.2I136 Q137 T138 Q147I136-M140 HydrophobicContact CG2-SD 4.45Å; I136-M140 WeakPolarHBondContact O-CG 3.5Å; I136-M140 PolarHBondContact O-N 3.28Å; Q137-M140 PolarHBondContact O-N 3.47Å; T138-M140 VanDerWaalsContact C-N 3.31Å; T138-M140 PolarHBondContact O-N 2.85Å; M140-Q147 VanDerWaalsContact C-NE2 3.29Å; M140-Q147 PolarHBondContact O-NE2 2.9Å
141V90.3Very high87.8Confident131 Ų13180.1 Ų80.179%0.79440%0.398SS*.THydrogen-bonded Turntrans-98.2-4.5178.5-178.60000111.8Q137 T138 I139Q137-V141 PolarHBondContact O-N 3.04Å; T138-V141 PolarHBondContact O-N 2.99Å; I139-V141 PolarHBondContact O-N 3.12Å; I139-V141 VanDerWaalsContact O-N 3.15Å
142M89.5Confident87.8Confident27 Ų2778.4 Ų78.413%0.13340%0.395CS..SBendtrans-74.6175.1177-60.1-174.57500112.2T18 W19 T22 T138 I139 V146 Q147T18-M142 HydrophobicContact CG2-CE 3.74Å; W19-M142 VanDerWaalsContact CA-CE 3.49Å; W19-M142 HydrophobicContact CB-CE 3.98Å; W19-M142 HydrophobicContact CB-SD 4.12Å; W19-M142 HydrophobicContact CG-SD 4.42Å; T22-M142 HydrophobicContact CG2-CE 4.15Å; T22-M142 HydrophobicContact CG2-SD 4.31Å; T138-M142 WeakPolarHBondContact O-CG 3.33Å; I139-M142 WeakPolarHBondContact O-CB 3.17Å; I139-M142 PolarHBondContact O-N 2.92Å; I139-M142 VanDerWaalsContact O-N 3.1Å; M142-V146 HydrophobicContact CE-CG1 3.65Å; M142-V146 HydrophobicContact SD-CG1 4.27Å; M142-Q147 HydrophobicContact CB-CG 4.36Å; M142-Q147 PolarHBondContact O-NE2 2.63Å
143E91.3Very high87.6Confident141 Ų14174.4 Ų74.466%0.65938%0.377SS*.  trans-63.1143.7175.6-166176.2172.400112.1S145 V146 Q147E143-S145 VanDerWaalsContact C-N 3.28Å; E143-S145 WeakPolarHBondContact CG-OG 3.38Å; E143-S145 PolarHBondContact O-N 2.97Å; E143-V146 HydrophobicContact CB-CG2 4.25Å; E143-V146 PolarHBondContact O-N 3.28Å; E143-Q147 WeakPolarHBondContact O-CG 3.37Å; E143-Q147 PolarHBondContact O-N 3.44Å
144E86.3Confident87.5Confident166 Ų16670.4 Ų70.478%0.77636%0.359SS*.Hα-helixtrans-59.3-36-174.8-169.8175.6-177.300113Q147 H148E144-Q147 PolarHBondContact O-N 3.37Å; E144-H148 PolarHBondContact O-N 2.86Å; E144-H148 VanDerWaalsContact O-N 3.09Å
145S86.1Confident87.2Confident60 Ų6070 Ų7042%0.4236%0.358SS..Hα-helixtrans-59.3-48.2172.750.80000111.7E143 H148 V149E143-S145 VanDerWaalsContact C-N 3.28Å; E143-S145 WeakPolarHBondContact CG-OG 3.38Å; E143-S145 PolarHBondContact O-N 2.97Å; S145-H148 PolarHBondContact O-N 3.08Å; S145-V149 WeakPolarHBondContact O-CG2 3.38Å; S145-V149 PolarHBondContact O-N 3.31Å
146V88.2Confident86.8Confident9 Ų974.4 Ų74.46%0.05538%0.379CS..Hα-helixtrans-67.2-39.9178.4-179.80000111.3M142 E143 H148 V149 V150M142-V146 HydrophobicContact CE-CG1 3.65Å; M142-V146 HydrophobicContact SD-CG1 4.27Å; E143-V146 HydrophobicContact CB-CG2 4.25Å; E143-V146 PolarHBondContact O-N 3.28Å; V146-H148 VanDerWaalsContact C-N 3.31Å; V146-H148 PolarHBondContact O-N 3.07Å; V146-V149 PolarHBondContact O-N 2.87Å; V146-V150 HydrophobicContact CG1-CG2 4.14Å; V146-V150 WeakPolarHBondContact O-CB 3.32Å; V146-V150 VanDerWaalsContact O-CG2 3.22Å; V146-V150 WeakPolarHBondContact O-CG2 3.47Å; V146-V150 PolarHBondContact O-N 3.28Å
147Q85.2Confident86.1Confident62 Ų6273.1 Ų73.129%0.2937%0.373SS..Hα-helixtrans-58.9-42.3176.7-70.2-17329.900112.1I139 M140 M142 E143 E144 V150 M151I139-Q147 VanDerWaalsContact O-CG 3.3Å; I139-Q147 WeakPolarHBondContact O-CG 3.4Å; M140-Q147 VanDerWaalsContact C-NE2 3.29Å; M140-Q147 PolarHBondContact O-NE2 2.9Å; M142-Q147 HydrophobicContact CB-CG 4.36Å; M142-Q147 PolarHBondContact O-NE2 2.63Å; E143-Q147 WeakPolarHBondContact O-CG 3.37Å; E143-Q147 PolarHBondContact O-N 3.44Å; E144-Q147 PolarHBondContact O-N 3.37Å; Q147-V150 PolarHBondContact O-N 2.83Å; Q147-M151 VanDerWaalsContact O-CB 3.3Å; Q147-M151 WeakPolarHBondContact O-CB 3.37Å; Q147-M151 PolarHBondContact O-N 2.81Å
148H85.4Confident85.2Confident132 Ų13272.3 Ų72.361%0.61137%0.37SS*.Hα-helixtrans-65.2-43-179.6-167.961000112.3E144 S145 V146 M151 T152E144-H148 PolarHBondContact O-N 2.86Å; E144-H148 VanDerWaalsContact O-N 3.09Å; S145-H148 PolarHBondContact O-N 3.08Å; V146-H148 VanDerWaalsContact C-N 3.31Å; V146-H148 PolarHBondContact O-N 3.07Å; H148-M151 PolarHBondContact O-N 2.86Å; H148-T152 PolarHBondContact O-N 2.86Å; H148-T152 PolarHBondContact O-OG1 3.34Å
149V88.3Confident83.9Confident22 Ų2274.9 Ų74.913%0.13339%0.39CS..Hα-helixtrans-65.1-44.8176.7177.10000111.1E11 L12 S145 V146 M151 T152 A153E11-V149 HydrophobicContact CG-CG2 4.42Å; L12-V149 HydrophobicContact CD1-CG1 3.84Å; S145-V149 WeakPolarHBondContact O-CG2 3.38Å; S145-V149 PolarHBondContact O-N 3.31Å; V146-V149 PolarHBondContact O-N 2.87Å; V149-M151 PolarHBondContact O-N 3.36Å; V149-T152 PolarHBondContact O-N 2.89Å; V149-A153 WeakPolarHBondContact O-CB 3.37Å; V149-A153 PolarHBondContact O-N 2.96Å
150V86.9Confident81.9Confident0 Ų083.7 Ų83.70%043%0.428CS..Hα-helixtrans-62.6-41.4176.9170.70000111.6L16 L123 I139 V146 Q147 A153 I154L16-V150 HydrophobicContact CD2-CG2 4.14Å; L123-V150 HydrophobicContact CD1-CG1 4.07Å; L123-V150 HydrophobicContact CD2-CG1 3.81Å; I139-V150 HydrophobicContact CD1-CG1 3.82Å; I139-V150 HydrophobicContact CG1-CG1 4.13Å; I139-V150 HydrophobicContact CG2-CB 4.31Å; I139-V150 HydrophobicContact CG2-CG1 3.69Å; V146-V150 HydrophobicContact CG1-CG2 4.14Å; V146-V150 WeakPolarHBondContact O-CB 3.32Å; V146-V150 VanDerWaalsContact O-CG2 3.22Å; V146-V150 WeakPolarHBondContact O-CG2 3.47Å; V146-V150 PolarHBondContact O-N 3.28Å; Q147-V150 PolarHBondContact O-N 2.83Å; V150-A153 PolarHBondContact O-N 3.35Å; V150-I154 HydrophobicContact CG1-CD1 3.95Å; V150-I154 WeakPolarHBondContact O-CD1 3.29Å; V150-I154 VanDerWaalsContact O-CG1 3.28Å; V150-I154 WeakPolarHBondContact O-CG1 3.37Å; V150-I154 PolarHBondContact O-N 3.41Å
151M85.4Confident79.3Confident107 Ų10787.2 Ų87.253%0.52744%0.443SS..Hα-helixtrans-62.6-43176.3179.9172.517900111.8Q147 H148 V149 I154 Q155Q147-M151 VanDerWaalsContact O-CB 3.3Å; Q147-M151 WeakPolarHBondContact O-CB 3.37Å; Q147-M151 PolarHBondContact O-N 2.81Å; H148-M151 PolarHBondContact O-N 2.86Å; V149-M151 PolarHBondContact O-N 3.36Å; M151-I154 PolarHBondContact O-N 3.32Å; M151-Q155 VanDerWaalsContact CE-NE2 3.32Å; M151-Q155 WeakPolarHBondContact O-CG 3.48Å; M151-Q155 PolarHBondContact O-N 3.43Å
152T85.9Confident76.5Confident67 Ų6787.5 Ų87.541%0.41145%0.445SS..Hα-helixtrans-63.4-43.5177.4-55.10000110.7H148 V149 I154 Q155 E156H148-T152 PolarHBondContact O-N 2.86Å; H148-T152 PolarHBondContact O-OG1 3.34Å; V149-T152 PolarHBondContact O-N 2.89Å; T152-I154 VanDerWaalsContact C-N 3.32Å; T152-I154 PolarHBondContact O-N 3.47Å; T152-Q155 PolarHBondContact O-N 3.26Å; T152-E156 PolarHBondContact O-N 3.44Å
153A84Confident73.8Confident2 Ų291.3 Ų91.32%0.01748%0.481CS..Hα-helixtrans-61.7-36.217700000113.1L12 Q120 L123 V149 V150 L157L12-A153 HydrophobicContact CD1-CB 3.86Å; Q120-A153 HydrophobicContact CG-CB 4.1Å; Q120-A153 PolarHBondContact NE2-O 3.41Å; L123-A153 HydrophobicContact CD2-CB 4.19Å; V149-A153 WeakPolarHBondContact O-CB 3.37Å; V149-A153 PolarHBondContact O-N 2.96Å; V150-A153 PolarHBondContact O-N 3.35Å; A153-L157 PolarHBondContact O-N 2.96Å
154I84Confident71Confident32 Ų3290.9 Ų90.916%0.16449%0.488CS..Hα-helixtrans-71.8-40.9174.8-66.2161.3000111.3L123 V127 V150 M151 T152 L157 M158L123-I154 HydrophobicContact CD2-CD1 4.46Å; L123-I154 HydrophobicContact CD2-CG1 3.98Å; L123-I154 HydrophobicContact CG-CG1 4.23Å; V127-I154 HydrophobicContact CG1-CD1 3.8Å; V127-I154 HydrophobicContact CG1-CG1 4.26Å; V127-I154 HydrophobicContact CG2-CG1 4.36Å; V127-I154 HydrophobicContact CG2-CG2 4.41Å; V150-I154 HydrophobicContact CG1-CD1 3.95Å; V150-I154 WeakPolarHBondContact O-CD1 3.29Å; V150-I154 VanDerWaalsContact O-CG1 3.28Å; V150-I154 WeakPolarHBondContact O-CG1 3.37Å; V150-I154 PolarHBondContact O-N 3.41Å; M151-I154 PolarHBondContact O-N 3.32Å; T152-I154 VanDerWaalsContact C-N 3.32Å; T152-I154 PolarHBondContact O-N 3.47Å; I154-L157 WeakPolarHBondContact O-CB 3.25Å; I154-L157 PolarHBondContact O-N 3Å; I154-M158 HydrophobicContact CG2-CE 4.06Å; I154-M158 HydrophobicContact CG2-SD 4.46Å; I154-M158 WeakPolarHBondContact O-CG 3.36Å; I154-M158 PolarHBondContact O-N 2.86Å
155Q82.6Confident68.6Low107 Ų10789.4 Ų89.450%0.549%0.49SS..Hα-helixtrans-64.2-41179-75.6178.2-7.500112M151 T152 L157 M158 S159M151-Q155 VanDerWaalsContact CE-NE2 3.32Å; M151-Q155 WeakPolarHBondContact O-CG 3.48Å; M151-Q155 PolarHBondContact O-N 3.43Å; T152-Q155 PolarHBondContact O-N 3.26Å; Q155-L157 PolarHBondContact O-N 2.83Å; Q155-M158 PolarHBondContact O-N 3.5Å; Q155-S159 PolarHBondContact O-N 3.17Å
156E80.8Confident66.4Low118 Ų11892.4 Ų92.455%0.55151%0.508SS*.Hα-helixtrans-59.8-33.8174.6-169.1-179.7-167.800112Q120 T152Q120-E156 PolarHBondContact NE2-OE2 3.36Å; T152-E156 PolarHBondContact O-N 3.44Å
157L74.3Confident64Low32 Ų3295.7 Ų95.717%0.16854%0.544CS..Hα-helixtrans-76-15.1175.4-84.1159.8000114.3F98 Q120 L121 A153 I154 Q155F98-L157 HydrophobicContact CD2-CD2 4.35Å; Q120-L157 HydrophobicContact CG-CD1 3.66Å; Q120-L157 HydrophobicContact CG-CG 4.27Å; Q120-L157 WeakPolarHBondContact O-CD1 3.38Å; L121-L157 HydrophobicContact CD2-CD2 4.23Å; A153-L157 PolarHBondContact O-N 2.96Å; I154-L157 WeakPolarHBondContact O-CB 3.25Å; I154-L157 PolarHBondContact O-N 3Å; Q155-L157 PolarHBondContact O-N 2.83Å
158M70.5Confident61.6Low103 Ų10396.5 Ų96.551%0.50757%0.569SS.*Hα-helixtrans-120.91.3-168-68-152.8-47.600116.9I154 Q155 K160I154-M158 HydrophobicContact CG2-CE 4.06Å; I154-M158 HydrophobicContact CG2-SD 4.46Å; I154-M158 WeakPolarHBondContact O-CG 3.36Å; I154-M158 PolarHBondContact O-N 2.86Å; Q155-M158 PolarHBondContact O-N 3.5Å; M158-K160 PolarHBondContact O-N 3.32Å
159S60.3Low59.3Low110 Ų11098.2 Ų98.277%0.76958%0.583SS**  trans-66.8105.5-176.557.60000113.3Q155Q155-S159 PolarHBondContact O-N 3.17Å
160K46.9Very low56.9Low201 Ų201104.4 Ų104.487%0.87462%0.615SS**  trans-96.9128.5170.9-89.1-179.1173.8176.50111.2M158M158-K160 PolarHBondContact O-N 3.32Å
161E33.8Very low54.6Low203 Ų203108.1 Ų108.195%0.94964%0.641SS**  trans-95.2130.9171.9-139.5177.5-167.900110.7
162T31.7Very low52.6Low136 Ų136113.4 Ų113.483%0.83466%0.656SS**  trans-126.5130.9175.142.50000112.6
163A32.4Very low51Low108 Ų108113.3 Ų113.389%0.89366%0.662SS**  trans-78.6152.8-176.700000114.9
164V31.9Very low49.5Very low131 Ų131116.6 Ų116.679%0.79468%0.68SS**  trans-100.8137.1-179.61750000111.5
165T36.6Very low47.9Very low136 Ų136121.7 Ų121.783%0.83471%0.707SS**  trans-151.8136.8155.7-46.30000109.8
166P40.2Very low46.4Very low122 Ų122123.7 Ų123.779%0.79272%0.721SS**  trans-135.3139.1146.933.5-18.3000112.4
167G36.8Very low45.2Very low79 Ų79127.2 Ų127.281%0.81473%0.729SS**  trans-159.1137168.700000113
168G34.9Very low44.2Very low78 Ų78130.7 Ų130.780%0.80475%0.745SS**  trans103.5154.9158.100000116.6
169N36.7Very low43.4Very low168 Ų168131.7 Ų131.790%0.89875%0.751SS**  cis-169.6152.7-32-150.143.8000104.8
170D38.6Very low43.5Very low153 Ų153133.8 Ų133.882%0.81875%0.747SS**  trans-87.4179.8-173-121.7-25.9000114.5
171S39Very low44.3Very low77 Ų77129.9 Ų129.954%0.53873%0.729SS.*  trans10599.1156.6-68.70000118.3D174S171-D174 WeakPolarHBondContact CB-OD2 3.49Å; S171-D174 PolarHBondContact OG-OD2 3.22Å
172Y41.8Very low45.6Very low218 Ų218123.3 Ų123.386%0.85570%0.704SS**SBend-17954126.4-146.4-101.9000114.5D174Y172-D174 VanDerWaalsContact C-N 3.31Å
173A53.3Low47.4Very low65 Ų65122 Ų12254%0.53769%0.69SS.*SBendtrans-108.631.6148.800000109.1L175 R177A173-L175 PolarHBondContact O-N 3.2Å; A173-R177 WeakPolarHBondContact O-CB 3.26Å; A173-R177 PolarHBondContact O-N 2.98Å
174D53Low49.2Very low71 Ų71122.6 Ų122.638%0.3867%0.674SS.*THydrogen-bonded Turntrans-850.2-138.1-126.6-1.2000115.3S171 Y172S171-D174 WeakPolarHBondContact CB-OD2 3.49Å; S171-D174 PolarHBondContact OG-OD2 3.22Å; Y172-D174 VanDerWaalsContact C-N 3.31Å
175L50Low51.2Low139 Ų139120.6 Ų120.673%0.72866%0.656SS**THydrogen-bonded Turntrans-114.7-30.7175.4-104.183.2000113.4A173A173-L175 PolarHBondContact O-N 3.2Å
176D49.9Very low52.8Low150 Ų150119.5 Ų119.580%0.80265%0.645SS**Hα-helixtrans-90.6-23.5-175-14846.1000111.9
177R56.4Low54.3Low192 Ų192118.2 Ų118.273%0.72563%0.631SS**Hα-helixtrans-78.7-29.2169.9-147.5173.5174.7115.7-1.4111.6A173 L179 K180 K181A173-R177 WeakPolarHBondContact O-CB 3.26Å; A173-R177 PolarHBondContact O-N 2.98Å; R177-L179 PolarHBondContact O-N 3.43Å; R177-K180 PolarHBondContact O-N 2.91Å; R177-K181 WeakPolarHBondContact O-CB 3.41Å; R177-K181 PolarHBondContact O-N 3.22Å
178E53.6Low56.2Low105 Ų105119.3 Ų119.349%0.49162%0.619SS.*Hα-helixtrans-66.3-36.1-176.2-154.4172.9-159.500112.7K181 T182E178-K181 PolarHBondContact O-N 3.43Å; E178-T182 WeakPolarHBondContact O-CG2 3.4Å; E178-T182 PolarHBondContact O-N 3.41Å; E178-T182 PolarHBondContact O-OG1 3.48Å
179L54Low58.2Low124 Ų124118 Ų11865%0.64960%0.6SS**Hα-helixtrans-71.5-35176.7-170.669.3000113.2R177 T182R177-L179 PolarHBondContact O-N 3.43Å; L179-T182 PolarHBondContact O-OG1 2.88Å
180K61.2Low60.1Low154 Ų154114.6 Ų114.667%0.6758%0.582SS**Hα-helixtrans-72.7-40.3172.8-121.2178-179.8-179.10111R177 T182 I183 E184R177-K180 PolarHBondContact O-N 2.91Å; K180-T182 PolarHBondContact O-N 3.38Å; K180-I183 PolarHBondContact O-N 3.41Å; K180-E184 PolarHBondContact O-N 2.83Å
181K64.8Low62.1Low118 Ų118110 Ų11051%0.51357%0.565SS.*Hα-helixtrans-61.8-40.7176.6-162.7-168.2-177.8-161.90112R177 E178 I183 E184 E185R177-K181 WeakPolarHBondContact O-CB 3.41Å; R177-K181 PolarHBondContact O-N 3.22Å; E178-K181 PolarHBondContact O-N 3.43Å; K181-I183 VanDerWaalsContact C-N 3.31Å; K181-I183 PolarHBondContact O-N 2.85Å; K181-E184 CarbonylContact O-C 3.59Å; K181-E184 PolarHBondContact O-N 2.85Å; K181-E185 VanDerWaalsContact CD-OE1 3.27Å; K181-E185 WeakPolarHBondContact CD-OE1 3.21Å; K181-E185 WeakPolarHBondContact CE-OE1 3.46Å; K181-E185 HydrophobicContact CG-CG 4.19Å; K181-E185 VanDerWaalsContact CG-OE1 3.31Å; K181-E185 WeakPolarHBondContact CG-OE1 3.5Å; K181-E185 IonicContact NZ-OE1 3.51Å; K181-E185 WeakPolarHBondContact O-CB 3.43Å; K181-E185 WeakPolarHBondContact O-CG 3.41Å; K181-E185 PolarHBondContact O-N 2.82Å
182T61.6Low64Low66 Ų66109.5 Ų109.541%0.40556%0.559SS.*Hα-helixtrans-65.7-29.8177.147.50000113.9E178 L179 K180 L186E178-T182 WeakPolarHBondContact O-CG2 3.4Å; E178-T182 PolarHBondContact O-N 3.41Å; E178-T182 PolarHBondContact O-OG1 3.48Å; L179-T182 PolarHBondContact O-OG1 2.88Å; K180-T182 PolarHBondContact O-N 3.38Å; T182-L186 WeakPolarHBondContact O-CB 3.14Å; T182-L186 PolarHBondContact O-N 3.38Å
183I68.5Low65.9Low107 Ų107106 Ų10655%0.54955%0.548SS..Hα-helixtrans-77.1-39175-65.9173.1000111K180 K181 L186 N187K180-I183 PolarHBondContact O-N 3.41Å; K181-I183 VanDerWaalsContact C-N 3.31Å; K181-I183 PolarHBondContact O-N 2.85Å; I183-L186 PolarHBondContact O-N 2.87Å; I183-N187 PolarHBondContact O-N 3.45Å; I183-N187 PolarHBondContact O-ND2 3.26Å; I183-N187 VanDerWaalsContact O-ND2 3.13Å
184E71.1Confident67.2Low121 Ų121108.6 Ų108.657%0.56555%0.549SS*.Hα-helixtrans-66.1-42.9171.1-89.5157.4163.400111.5K180 K181 L186 N187 D188K180-E184 PolarHBondContact O-N 2.83Å; K181-E184 CarbonylContact O-C 3.59Å; K181-E184 PolarHBondContact O-N 2.85Å; E184-L186 VanDerWaalsContact C-N 3.3Å; E184-L186 PolarHBondContact O-N 3.28Å; E184-N187 PolarHBondContact O-N 2.83Å; E184-N187 VanDerWaalsContact O-N 3.15Å; E184-D188 WeakPolarHBondContact O-CB 3.48Å; E184-D188 VanDerWaalsContact O-CG 3.31Å; E184-D188 PolarHBondContact O-N 2.84Å
185E72.3Confident68.6Low89 Ų89111.5 Ų111.542%0.41656%0.56SS.*Hα-helixtrans-61.3-34.9174.7-76.4168.9178.900112.2K181 A189K181-E185 VanDerWaalsContact CD-OE1 3.27Å; K181-E185 WeakPolarHBondContact CD-OE1 3.21Å; K181-E185 WeakPolarHBondContact CE-OE1 3.46Å; K181-E185 HydrophobicContact CG-CG 4.19Å; K181-E185 VanDerWaalsContact CG-OE1 3.31Å; K181-E185 WeakPolarHBondContact CG-OE1 3.5Å; K181-E185 IonicContact NZ-OE1 3.51Å; K181-E185 WeakPolarHBondContact O-CB 3.43Å; K181-E185 WeakPolarHBondContact O-CG 3.41Å; K181-E185 PolarHBondContact O-N 2.82Å; E185-A189 WeakPolarHBondContact O-CB 3.28Å; E185-A189 PolarHBondContact O-N 3.15Å
186L70.3Confident70.1Confident113 Ų113110 Ų11059%0.59255%0.552SS**Hα-helixtrans-71-38.8175.1-175.566.3000112.2T182 I183 E184 A189 L190T182-L186 WeakPolarHBondContact O-CB 3.14Å; T182-L186 PolarHBondContact O-N 3.38Å; I183-L186 PolarHBondContact O-N 2.87Å; E184-L186 VanDerWaalsContact C-N 3.3Å; E184-L186 PolarHBondContact O-N 3.28Å; L186-A189 PolarHBondContact O-N 3.32Å; L186-L190 WeakPolarHBondContact O-CG 3.45Å; L186-L190 PolarHBondContact O-N 2.85Å
187N72.4Confident71.7Confident95 Ų95104.8 Ų104.851%0.50853%0.53SS..Hα-helixtrans-70.6-38.9175-76.9-47.9000111.6I183 E184 A189 L190 A191I183-N187 PolarHBondContact O-N 3.45Å; I183-N187 PolarHBondContact O-ND2 3.26Å; I183-N187 VanDerWaalsContact O-ND2 3.13Å; E184-N187 PolarHBondContact O-N 2.83Å; E184-N187 VanDerWaalsContact O-N 3.15Å; N187-A189 VanDerWaalsContact C-N 3.34Å; N187-L190 PolarHBondContact O-N 2.87Å; N187-A191 WeakPolarHBondContact O-CB 3.28Å; N187-A191 PolarHBondContact O-N 3.38Å
188D77.1Confident73Confident103 Ų103100.4 Ų100.455%0.55152%0.517SS*.Hα-helixtrans-65.2-37.4172.7-71.8-15.9000111.1E184 L190 A191 T192E184-D188 WeakPolarHBondContact O-CB 3.48Å; E184-D188 VanDerWaalsContact O-CG 3.31Å; E184-D188 PolarHBondContact O-N 2.84Å; D188-L190 VanDerWaalsContact C-N 3.33Å; D188-L190 PolarHBondContact O-N 3.46Å; D188-A191 PolarHBondContact O-N 2.94Å; D188-T192 WeakPolarHBondContact O-CB 3.4Å; D188-T192 VanDerWaalsContact O-CG2 3.22Å; D188-T192 WeakPolarHBondContact O-CG2 3.41Å; D188-T192 PolarHBondContact O-N 3.22Å; D188-T192 PolarHBondContact O-OG1 3.5Å
189A76.1Confident74.5Confident50 Ų50104 Ų10441%0.41353%0.526SS..Hα-helixtrans-65-34.9173.400000112.6E185 L186 N187 T192 K193E185-A189 WeakPolarHBondContact O-CB 3.28Å; E185-A189 PolarHBondContact O-N 3.15Å; L186-A189 PolarHBondContact O-N 3.32Å; N187-A189 VanDerWaalsContact C-N 3.34Å; A189-T192 VanDerWaalsContact CA-OG1 3.27Å; A189-T192 WeakPolarHBondContact CA-OG1 3.31Å; A189-T192 PolarHBondContact O-OG1 2.93Å; A189-K193 VanDerWaalsContact O-CB 3.25Å; A189-K193 WeakPolarHBondContact O-CB 3.36Å; A189-K193 PolarHBondContact O-N 3.49Å
190L77Confident75.8Confident97 Ų97101.1 Ų101.151%0.50852%0.516SS..Hα-helixtrans-73.8-39.7173.9-74.7171.7000112L186 N187 D188 K193 E194L186-L190 WeakPolarHBondContact O-CG 3.45Å; L186-L190 PolarHBondContact O-N 2.85Å; N187-L190 PolarHBondContact O-N 2.87Å; D188-L190 VanDerWaalsContact C-N 3.33Å; D188-L190 PolarHBondContact O-N 3.46Å; L190-K193 PolarHBondContact O-N 2.97Å; L190-E194 PolarHBondContact O-N 3.37Å
191A80Confident77Confident57 Ų57100.2 Ų100.247%0.47151%0.508SS..Hα-helixtrans-63.3-47.4174.900000111.4N187 D188 K193 E194 E195N187-A191 WeakPolarHBondContact O-CB 3.28Å; N187-A191 PolarHBondContact O-N 3.38Å; D188-A191 PolarHBondContact O-N 2.94Å; A191-K193 VanDerWaalsContact C-N 3.31Å; A191-K193 PolarHBondContact O-N 2.82Å; A191-E194 PolarHBondContact O-N 3Å; A191-E195 WeakPolarHBondContact O-CB 3.36Å; A191-E195 PolarHBondContact O-N 3.46Å
192T79.8Confident78.1Confident66 Ų6699.8 Ų99.841%0.40551%0.508SS..Hα-helixtrans-64.1-34.6175.552.10000112.2D188 A189 E195 I196D188-T192 WeakPolarHBondContact O-CB 3.4Å; D188-T192 VanDerWaalsContact O-CG2 3.22Å; D188-T192 WeakPolarHBondContact O-CG2 3.41Å; D188-T192 PolarHBondContact O-N 3.22Å; D188-T192 PolarHBondContact O-OG1 3.5Å; A189-T192 VanDerWaalsContact CA-OG1 3.27Å; A189-T192 WeakPolarHBondContact CA-OG1 3.31Å; A189-T192 PolarHBondContact O-OG1 2.93Å; T192-E195 PolarHBondContact O-N 3.3Å; T192-I196 WeakPolarHBondContact O-CB 3.26Å; T192-I196 WeakPolarHBondContact O-CD1 3.32Å; T192-I196 WeakPolarHBondContact O-CG1 3.47Å; T192-I196 PolarHBondContact O-N 3.4Å
193K80.6Confident79.2Confident143 Ų143100.9 Ų100.962%0.62251%0.511SS*.Hα-helixtrans-64.1-42.8172.5-178.4-173.3171.8-170.40112.1A189 L190 A191 E195 A197A189-K193 VanDerWaalsContact O-CB 3.25Å; A189-K193 WeakPolarHBondContact O-CB 3.36Å; A189-K193 PolarHBondContact O-N 3.49Å; L190-K193 PolarHBondContact O-N 2.97Å; A191-K193 VanDerWaalsContact C-N 3.31Å; A191-K193 PolarHBondContact O-N 2.82Å; K193-E195 VanDerWaalsContact C-N 3.34Å; K193-A197 WeakPolarHBondContact O-CB 3.39Å; K193-A197 PolarHBondContact O-N 2.93Å
194E81.9Confident80.1Confident120 Ų120101.1 Ų101.156%0.56151%0.514SS*.Hα-helixtrans-65.4-40.4176.1-165.469-145.500110.9L190 A191 A197 Q198 R201L190-E194 PolarHBondContact O-N 3.37Å; A191-E194 PolarHBondContact O-N 3Å; E194-A197 PolarHBondContact O-N 3.45Å; E194-Q198 WeakPolarHBondContact O-CB 3.42Å; E194-Q198 PolarHBondContact O-N 2.84Å; E194-R201 IonicContact OE1-NH2 3.91Å
195E82.6Confident81Confident132 Ų132101.4 Ų101.462%0.61752%0.518SS*.Hα-helixtrans-66-41.4177.4-158.1172-147.700111.9A191 T192 K193 Q198 R199A191-E195 WeakPolarHBondContact O-CB 3.36Å; A191-E195 PolarHBondContact O-N 3.46Å; T192-E195 PolarHBondContact O-N 3.3Å; K193-E195 VanDerWaalsContact C-N 3.34Å; E195-Q198 PolarHBondContact O-N 3.47Å; E195-R199 WeakPolarHBondContact O-CB 3.43Å; E195-R199 PolarHBondContact O-N 3.19Å
196I81.6Confident81.8Confident108 Ų108102.7 Ų102.755%0.55452%0.524SS*.Hα-helixtrans-63.9-42.6171.5-70165000110.4T192 Q198 R199 C200T192-I196 WeakPolarHBondContact O-CB 3.26Å; T192-I196 WeakPolarHBondContact O-CD1 3.32Å; T192-I196 WeakPolarHBondContact O-CG1 3.47Å; T192-I196 PolarHBondContact O-N 3.4Å; I196-Q198 VanDerWaalsContact C-N 3.3Å; I196-Q198 PolarHBondContact O-N 3.2Å; I196-R199 PolarHBondContact O-N 2.93Å; I196-C200 WeakPolarHBondContact O-CB 3.49Å; I196-C200 PolarHBondContact O-N 3.26Å; I196-C200 PolarHBondContact O-SG 3.47Å
197A81.8Confident82.6Confident41 Ų41100.9 Ų100.934%0.33952%0.517SS..Hα-helixtrans-66.7-32.4178.100000112.4K193 E194 R201K193-A197 WeakPolarHBondContact O-CB 3.39Å; K193-A197 PolarHBondContact O-N 2.93Å; E194-A197 PolarHBondContact O-N 3.45Å; A197-R201 WeakPolarHBondContact O-CG 3.41Å; A197-R201 PolarHBondContact O-N 2.86Å; A197-R201 PolarHBondContact O-NE 2.9Å
198Q84.4Confident83.4Confident99 Ų9998.7 Ų98.746%0.46351%0.513SS..Hα-helixtrans-69.1-44.1172-169.6170.7-10.400110.9E194 E195 I196 C200 R201 E202E194-Q198 WeakPolarHBondContact O-CB 3.42Å; E194-Q198 PolarHBondContact O-N 2.84Å; E195-Q198 PolarHBondContact O-N 3.47Å; I196-Q198 VanDerWaalsContact C-N 3.3Å; I196-Q198 PolarHBondContact O-N 3.2Å; Q198-C200 VanDerWaalsContact C-N 3.32Å; Q198-C200 PolarHBondContact O-N 3.2Å; Q198-R201 WeakPolarHBondContact O-CB 3.45Å; Q198-R201 PolarHBondContact O-N 2.96Å; Q198-R201 VanDerWaalsContact O-N 3.12Å; Q198-E202 WeakPolarHBondContact O-CG 3.41Å; Q198-E202 PolarHBondContact O-N 3.48Å
199R85.8Confident83.9Confident180 Ų18096.4 Ų96.468%0.67951%0.508SS*.Hα-helixtrans-64-35.1175.5-165164.2-173.6155.61.1113.1E195 I196 E202 L203E195-R199 WeakPolarHBondContact O-CB 3.43Å; E195-R199 PolarHBondContact O-N 3.19Å; I196-R199 PolarHBondContact O-N 2.93Å; R199-E202 PolarHBondContact O-N 2.67Å; R199-L203 HydrophobicContact CG-CD1 4.45Å; R199-L203 WeakPolarHBondContact O-CB 3.35Å; R199-L203 WeakPolarHBondContact O-CG 3.31Å; R199-L203 PolarHBondContact O-N 2.97Å
200C81Confident84.5Confident64 Ų6498.7 Ų98.743%0.43251%0.513SS..Hα-helixtrans-63.2-45.3171.3-73.40000111.3I196 Q198 E202 L203 D204I196-C200 WeakPolarHBondContact O-CB 3.49Å; I196-C200 PolarHBondContact O-N 3.26Å; I196-C200 PolarHBondContact O-SG 3.47Å; Q198-C200 VanDerWaalsContact C-N 3.32Å; Q198-C200 PolarHBondContact O-N 3.2Å; C200-E202 VanDerWaalsContact C-N 3.34Å; C200-E202 PolarHBondContact O-N 3.45Å; C200-L203 PolarHBondContact O-N 3.45Å; C200-D204 VanDerWaalsContact O-CG 3.32Å; C200-D204 PolarHBondContact O-N 2.92Å
201R85.4Confident85Confident135 Ų135100.4 Ų100.451%0.50952%0.518SS..Hα-helixtrans-62.6-39.6175.6-75.6179.7-82.6-178.3-6.4112.5E194 A197 Q198 D204 L205E194-R201 IonicContact OE1-NH2 3.91Å; A197-R201 WeakPolarHBondContact O-CG 3.41Å; A197-R201 PolarHBondContact O-N 2.86Å; A197-R201 PolarHBondContact O-NE 2.9Å; Q198-R201 WeakPolarHBondContact O-CB 3.45Å; Q198-R201 PolarHBondContact O-N 2.96Å; Q198-R201 VanDerWaalsContact O-N 3.12Å; R201-D204 PolarHBondContact O-N 3.4Å; R201-L205 WeakPolarHBondContact O-CG 3.44Å; R201-L205 PolarHBondContact O-N 2.89Å
202E88.1Confident85.5Confident109 Ų109104 Ų10451%0.50953%0.526SS..Hα-helixtrans-65.5-42.1175.4-74.3170.8-173.700111.8Q198 R199 C200 L205 Q206Q198-E202 WeakPolarHBondContact O-CG 3.41Å; Q198-E202 PolarHBondContact O-N 3.48Å; R199-E202 PolarHBondContact O-N 2.67Å; C200-E202 VanDerWaalsContact C-N 3.34Å; C200-E202 PolarHBondContact O-N 3.45Å; E202-L205 PolarHBondContact O-N 3.48Å; E202-Q206 WeakPolarHBondContact O-CB 3.38Å; E202-Q206 PolarHBondContact O-N 3.1Å
203L86Confident85.9Confident89 Ų89106.2 Ų106.247%0.46653%0.531SS..Hα-helixtrans-63.8-41174.2-80165.7000111.9R199 C200 L205 Q206 V207R199-L203 HydrophobicContact CG-CD1 4.45Å; R199-L203 WeakPolarHBondContact O-CB 3.35Å; R199-L203 WeakPolarHBondContact O-CG 3.31Å; R199-L203 PolarHBondContact O-N 2.97Å; C200-L203 PolarHBondContact O-N 3.45Å; L203-L205 PolarHBondContact O-N 3.4Å; L203-Q206 PolarHBondContact O-N 3.48Å; L203-V207 VanDerWaalsContact O-CG2 3.31Å; L203-V207 WeakPolarHBondContact O-CG2 3.35Å; L203-V207 PolarHBondContact O-N 2.91Å
204D86.6Confident86.3Confident113 Ų113106.1 Ų106.160%0.60453%0.531SS*.Hα-helixtrans-63-42.3176.3-72.4-29.7000111.6C200 R201 Q206 V207 A208C200-D204 VanDerWaalsContact O-CG 3.32Å; C200-D204 PolarHBondContact O-N 2.92Å; R201-D204 PolarHBondContact O-N 3.4Å; D204-Q206 VanDerWaalsContact C-N 3.34Å; D204-V207 PolarHBondContact O-N 3.36Å; D204-A208 PolarHBondContact O-N 3.42Å
205L90Very high86.7Confident126 Ų126103.7 Ų103.766%0.6653%0.527SS*.Hα-helixtrans-62.2-41172.8-79.9163.9000111.8R201 E202 L203 A208 A209R201-L205 WeakPolarHBondContact O-CG 3.44Å; R201-L205 PolarHBondContact O-N 2.89Å; E202-L205 PolarHBondContact O-N 3.48Å; L203-L205 PolarHBondContact O-N 3.4Å; L205-A208 PolarHBondContact O-N 3.37Å; L205-A209 PolarHBondContact O-N 2.83Å
206Q88.6Confident87Confident117 Ų117100.6 Ų100.655%0.54752%0.52SS..Hα-helixtrans-66.9-40.1178.2-169.1170.640.300111.9E202 L203 D204 A208 A209 L210E202-Q206 WeakPolarHBondContact O-CB 3.38Å; E202-Q206 PolarHBondContact O-N 3.1Å; L203-Q206 PolarHBondContact O-N 3.48Å; D204-Q206 VanDerWaalsContact C-N 3.34Å; Q206-A208 VanDerWaalsContact C-N 3.35Å; Q206-A209 PolarHBondContact O-N 2.94Å; Q206-L210 HydrophobicContact CG-CD1 4.32Å; Q206-L210 WeakPolarHBondContact O-CB 3.26Å; Q206-L210 VanDerWaalsContact O-CG 3.29Å; Q206-L210 WeakPolarHBondContact O-CG 3.21Å; Q206-L210 PolarHBondContact O-N 3.17Å
207V88Confident87.3Confident74 Ų7499.8 Ų99.845%0.44852%0.516SS..Hα-helixtrans-64.2-41.1174.91700000111L203 D204 L210 Q211L203-V207 VanDerWaalsContact O-CG2 3.31Å; L203-V207 WeakPolarHBondContact O-CG2 3.35Å; L203-V207 PolarHBondContact O-N 2.91Å; D204-V207 PolarHBondContact O-N 3.36Å; V207-L210 PolarHBondContact O-N 3.16Å; V207-Q211 WeakPolarHBondContact O-CB 3.4Å; V207-Q211 PolarHBondContact O-N 2.84Å
208A88.8Confident87.7Confident50 Ų50102.7 Ų102.741%0.41353%0.525SS..Hα-helixtrans-62.1-44.7175.300000111.7D204 L205 Q206 Q211 E212D204-A208 PolarHBondContact O-N 3.42Å; L205-A208 PolarHBondContact O-N 3.37Å; Q206-A208 VanDerWaalsContact C-N 3.35Å; A208-Q211 PolarHBondContact O-N 2.96Å; A208-E212 PolarHBondContact O-N 3.43Å
209A88.5Confident88Confident54 Ų54100.4 Ų100.445%0.44652%0.523SS..Hα-helixtrans-61.9-4417600000112.2L205 Q206 Q211 E212 E213L205-A209 PolarHBondContact O-N 2.83Å; Q206-A209 PolarHBondContact O-N 2.94Å; A209-Q211 VanDerWaalsContact C-N 3.29Å; A209-Q211 PolarHBondContact O-N 3.48Å; A209-E212 PolarHBondContact O-N 2.89Å; A209-E213 PolarHBondContact O-N 3.02Å
210L88.1Confident88.2Confident99 Ų9997.2 Ų97.252%0.51852%0.516SS..Hα-helixtrans-65-32.3176.2-72.6171.3000112.4Q206 V207 K214Q206-L210 HydrophobicContact CG-CD1 4.32Å; Q206-L210 WeakPolarHBondContact O-CB 3.26Å; Q206-L210 VanDerWaalsContact O-CG 3.29Å; Q206-L210 WeakPolarHBondContact O-CG 3.21Å; Q206-L210 PolarHBondContact O-N 3.17Å; V207-L210 PolarHBondContact O-N 3.16Å; L210-K214 VanDerWaalsContact O-CB 3.31Å; L210-K214 WeakPolarHBondContact O-CB 3.42Å; L210-K214 PolarHBondContact O-N 2.72Å
211Q88.5Confident88.1Confident132 Ų13298.4 Ų98.462%0.61752%0.518SS*.Hα-helixtrans-69-38.1173.9-84.8175.2-22.700112.4V207 A208 A209 S215V207-Q211 WeakPolarHBondContact O-CB 3.4Å; V207-Q211 PolarHBondContact O-N 2.84Å; A208-Q211 PolarHBondContact O-N 2.96Å; A209-Q211 VanDerWaalsContact C-N 3.29Å; A209-Q211 PolarHBondContact O-N 3.48Å; Q211-S215 PolarHBondContact O-N 2.95Å; Q211-S215 PolarHBondContact O-OG 3.37Å
212E89.5Confident88.2Confident134 Ų13498.3 Ų98.363%0.62652%0.524SS*.Hα-helixtrans-69.6-38174.2-172.4174.3-167.600112.2A208 A209 S215 S216A208-E212 PolarHBondContact O-N 3.43Å; A209-E212 PolarHBondContact O-N 2.89Å; E212-S215 PolarHBondContact O-N 3.26Å; E212-S215 PolarHBondContact O-OG 3.3Å; E212-S216 WeakPolarHBondContact O-CB 3.26Å; E212-S216 PolarHBondContact O-N 2.99Å; E212-S216 PolarHBondContact O-OG 3.38Å
213E88.8Confident88.2Confident112 Ų11297.1 Ų97.152%0.52352%0.524SS..Hα-helixtrans-64.6-44.4173.2-170.3-179.718000110.8A209 S215 S216 L217A209-E213 PolarHBondContact O-N 3.02Å; E213-S215 VanDerWaalsContact C-N 3.33Å; E213-S215 PolarHBondContact O-N 3.38Å; E213-S216 PolarHBondContact O-N 2.93Å; E213-L217 HydrophobicContact CG-CD1 4.16Å; E213-L217 HydrophobicContact CG-CG 4.46Å; E213-L217 WeakPolarHBondContact O-CB 3.46Å; E213-L217 WeakPolarHBondContact O-CG 3.49Å; E213-L217 PolarHBondContact O-N 3.44Å
214K88.8Confident87.9Confident141 Ų14197.3 Ų97.361%0.61352%0.524SS*.Hα-helixtrans-59.4-42.5175.7-179.3-178.3176.7-179.30112.2L210 L218L210-K214 VanDerWaalsContact O-CB 3.31Å; L210-K214 WeakPolarHBondContact O-CB 3.42Å; L210-K214 PolarHBondContact O-N 2.72Å; K214-L218 HydrophobicContact CG-CD1 4.3Å; K214-L218 WeakPolarHBondContact O-CB 3.34Å; K214-L218 WeakPolarHBondContact O-CG 3.5Å; K214-L218 PolarHBondContact O-N 2.99Å
215S88.9Confident87.5Confident68 Ų6897 Ų9748%0.47652%0.52SS..Hα-helixtrans-68.5-37.7178.364.10000111.7Q211 E212 E213 L218 A219Q211-S215 PolarHBondContact O-N 2.95Å; Q211-S215 PolarHBondContact O-OG 3.37Å; E212-S215 PolarHBondContact O-N 3.26Å; E212-S215 PolarHBondContact O-OG 3.3Å; E213-S215 VanDerWaalsContact C-N 3.33Å; E213-S215 PolarHBondContact O-N 3.38Å; S215-L218 PolarHBondContact O-N 2.9Å; S215-A219 PolarHBondContact O-N 3.4Å
216S89.6Confident86.9Confident67 Ų6797 Ų9747%0.46952%0.517SS..Hα-helixtrans-63.6-47.1174.8-60.30000111.9E212 E213 L218 A219 E220E212-S216 WeakPolarHBondContact O-CB 3.26Å; E212-S216 PolarHBondContact O-N 2.99Å; E212-S216 PolarHBondContact O-OG 3.38Å; E213-S216 PolarHBondContact O-N 2.93Å; S216-L218 VanDerWaalsContact C-N 3.31Å; S216-L218 PolarHBondContact O-N 2.87Å; S216-A219 WeakPolarHBondContact O-CB 3.39Å; S216-A219 PolarHBondContact O-N 3.3Å; S216-E220 PolarHBondContact O-N 2.95Å
217L88.9Confident86.3Confident91 Ų9199.7 Ų99.748%0.47652%0.522SS..Hα-helixtrans-62.3-37.5176.4-73.2172.6000112.1E213 E220 N221E213-L217 HydrophobicContact CG-CD1 4.16Å; E213-L217 HydrophobicContact CG-CG 4.46Å; E213-L217 WeakPolarHBondContact O-CB 3.46Å; E213-L217 WeakPolarHBondContact O-CG 3.49Å; E213-L217 PolarHBondContact O-N 3.44Å; L217-E220 PolarHBondContact O-N 3.39Å; L217-N221 WeakPolarHBondContact O-CB 3.38Å; L217-N221 PolarHBondContact O-N 3.49Å
218L90.5Very high85.3Confident103 Ų103101.6 Ų101.654%0.53953%0.529SS..Hα-helixtrans-64.9-39.7174.8-79.1169.8000112.3K214 S215 S216 N221 Q222K214-L218 HydrophobicContact CG-CD1 4.3Å; K214-L218 WeakPolarHBondContact O-CB 3.34Å; K214-L218 WeakPolarHBondContact O-CG 3.5Å; K214-L218 PolarHBondContact O-N 2.99Å; S215-L218 PolarHBondContact O-N 2.9Å; S216-L218 VanDerWaalsContact C-N 3.31Å; S216-L218 PolarHBondContact O-N 2.87Å; L218-N221 PolarHBondContact O-N 2.85Å; L218-Q222 PolarHBondContact O-N 3.22Å; L218-Q222 VanDerWaalsContact O-N 3.12Å
219A89.3Confident84.3Confident50 Ų50104.7 Ų104.741%0.41354%0.539SS..Hα-helixtrans-66-42.1175.200000111.5S215 S216 N221 Q222 V223S215-A219 PolarHBondContact O-N 3.4Å; S216-A219 WeakPolarHBondContact O-CB 3.39Å; S216-A219 PolarHBondContact O-N 3.3Å; A219-N221 VanDerWaalsContact C-N 3.32Å; A219-N221 PolarHBondContact O-N 3.45Å; A219-Q222 PolarHBondContact O-N 2.98Å; A219-V223 WeakPolarHBondContact O-CG2 3.5Å; A219-V223 PolarHBondContact O-N 2.87Å; A219-V223 VanDerWaalsContact O-N 3.13Å
220E89.3Confident83Confident114 Ų114108.8 Ų108.853%0.53355%0.549SS..Hα-helixtrans-61.9-40.8174.7-171.2175.8-17200111.6S216 L217 Q222 V223 L224S216-E220 PolarHBondContact O-N 2.95Å; L217-E220 PolarHBondContact O-N 3.39Å; E220-Q222 VanDerWaalsContact C-N 3.31Å; E220-Q222 PolarHBondContact O-N 3.44Å; E220-V223 PolarHBondContact O-N 3.3Å; E220-L224 HydrophobicContact CG-CD1 4.27Å; E220-L224 WeakPolarHBondContact O-CG 3.32Å; E220-L224 PolarHBondContact O-N 2.96Å
221N80.6Confident81.6Confident89 Ų89106.9 Ų106.948%0.47654%0.544SS..Hα-helixtrans-62-38.3176.7-137.7-85.7000112.4L217 L218 A219 L224 M225L217-N221 WeakPolarHBondContact O-CB 3.38Å; L217-N221 PolarHBondContact O-N 3.49Å; L218-N221 PolarHBondContact O-N 2.85Å; A219-N221 VanDerWaalsContact C-N 3.32Å; A219-N221 PolarHBondContact O-N 3.45Å; N221-L224 PolarHBondContact O-N 3.36Å; N221-M225 PolarHBondContact O-N 3.42Å
222Q86.8Confident80.1Confident133 Ų133105.6 Ų105.662%0.62154%0.541SS*.Hα-helixtrans-63.2-44.6174-77179.6-10.800111.9L218 A219 E220 L224 M225 E226L218-Q222 PolarHBondContact O-N 3.22Å; L218-Q222 VanDerWaalsContact O-N 3.12Å; A219-Q222 PolarHBondContact O-N 2.98Å; E220-Q222 VanDerWaalsContact C-N 3.31Å; E220-Q222 PolarHBondContact O-N 3.44Å; Q222-L224 VanDerWaalsContact C-N 3.33Å; Q222-L224 PolarHBondContact O-N 2.85Å; Q222-M225 PolarHBondContact O-N 3.23Å; Q222-E226 PolarHBondContact O-N 2.93Å
223V87.4Confident78.4Confident84 Ų84103.4 Ų103.451%0.50954%0.541SS..Hα-helixtrans-63.9-39.2177174.60000111.4A219 E220 E226 R227A219-V223 WeakPolarHBondContact O-CG2 3.5Å; A219-V223 PolarHBondContact O-N 2.87Å; A219-V223 VanDerWaalsContact O-N 3.13Å; E220-V223 PolarHBondContact O-N 3.3Å; V223-E226 PolarHBondContact O-N 2.86Å; V223-R227 PolarHBondContact O-N 3.38Å
224L81.1Confident76.8Confident92 Ų92102.3 Ų102.348%0.48254%0.537SS..Hα-helixtrans-65-40.6175.5-74.2172.1000112E220 N221 Q222 R227 L228E220-L224 HydrophobicContact CG-CD1 4.27Å; E220-L224 WeakPolarHBondContact O-CG 3.32Å; E220-L224 PolarHBondContact O-N 2.96Å; N221-L224 PolarHBondContact O-N 3.36Å; Q222-L224 VanDerWaalsContact C-N 3.33Å; Q222-L224 PolarHBondContact O-N 2.85Å; L224-R227 PolarHBondContact O-N 2.93Å; L224-L228 PolarHBondContact O-N 2.84Å
225M76.8Confident75.4Confident106 Ų106103.6 Ų103.652%0.52255%0.546SS..Hα-helixtrans-62.6-41.1172.8-96.1-172.9-88.200112.4N221 Q222 R227 L228 N229N221-M225 PolarHBondContact O-N 3.42Å; Q222-M225 PolarHBondContact O-N 3.23Å; M225-R227 VanDerWaalsContact C-N 3.35Å; M225-R227 PolarHBondContact O-N 3.43Å; M225-L228 PolarHBondContact O-N 2.9Å; M225-N229 PolarHBondContact O-N 2.83Å
226E78Confident74.1Confident126 Ų126104.8 Ų104.859%0.58955%0.547SS*.Hα-helixtrans-64.5-37.8174.5-78-178.6166.600112.4Q222 V223 N229 Q230Q222-E226 PolarHBondContact O-N 2.93Å; V223-E226 PolarHBondContact O-N 2.86Å; E226-N229 PolarHBondContact O-N 3.27Å; E226-Q230 WeakPolarHBondContact O-CG 3.4Å; E226-Q230 PolarHBondContact O-N 3.36Å; E226-Q230 VanDerWaalsContact O-N 3.13Å
227R75.6Confident72.7Confident175 Ų175107.2 Ų107.266%0.6655%0.553SS**Hα-helixtrans-65.5-38.7172.4-93.9-170.6177.5-164.51.6112.9V223 L224 M225 Q230 S231V223-R227 PolarHBondContact O-N 3.38Å; L224-R227 PolarHBondContact O-N 2.93Å; M225-R227 VanDerWaalsContact C-N 3.35Å; M225-R227 PolarHBondContact O-N 3.43Å; R227-Q230 PolarHBondContact O-N 2.98Å; R227-S231 PolarHBondContact O-N 3.15Å; R227-S231 VanDerWaalsContact O-N 3.13Å; R227-S231 PolarHBondContact O-OG 3.31Å
228L67.5Low71.6Confident113 Ų113108.5 Ų108.559%0.59256%0.561SS**Hα-helixtrans-63.3-46176.7-170.468.4000110.4L224 M225 Q230 S231 D232L224-L228 PolarHBondContact O-N 2.84Å; M225-L228 PolarHBondContact O-N 2.9Å; L228-Q230 PolarHBondContact O-N 3.38Å; L228-S231 WeakPolarHBondContact O-CA 3.28Å; L228-S231 VanDerWaalsContact O-CB 3.22Å; L228-S231 WeakPolarHBondContact O-CB 3.45Å; L228-S231 PolarHBondContact O-N 3.06Å; L228-D232 PolarHBondContact O-N 2.87Å
229N67.3Low70.8Confident115 Ų115105.5 Ų105.562%0.61555%0.548SS*.Hα-helixtrans-62.8-26.8175.8-73.6-13.4000113.4M225 E226 S231M225-N229 PolarHBondContact O-N 2.83Å; E226-N229 PolarHBondContact O-N 3.27Å; N229-S231 VanDerWaalsContact C-N 3.34Å
230Q61.3Low70Confident141 Ų141108.4 Ų108.466%0.65956%0.563SS**Hα-helixtrans-76.1-22.3171.3-70.9171.72100112.8E226 R227 L228 D232 S233E226-Q230 WeakPolarHBondContact O-CG 3.4Å; E226-Q230 PolarHBondContact O-N 3.36Å; E226-Q230 VanDerWaalsContact O-N 3.13Å; R227-Q230 PolarHBondContact O-N 2.98Å; L228-Q230 PolarHBondContact O-N 3.38Å; Q230-D232 VanDerWaalsContact C-N 3.35Å; Q230-S233 VanDerWaalsContact O-CB 3.26Å; Q230-S233 WeakPolarHBondContact O-CB 3.39Å; Q230-S233 PolarHBondContact O-N 3.46Å
231S59.7Low69.3Low58 Ų58105.5 Ų105.541%0.40656%0.558SS.*Hα-helixtrans-76.2-23.3179.9-52.10000112.4R227 L228 N229 S233 I234R227-S231 PolarHBondContact O-N 3.15Å; R227-S231 VanDerWaalsContact O-N 3.13Å; R227-S231 PolarHBondContact O-OG 3.31Å; L228-S231 WeakPolarHBondContact O-CA 3.28Å; L228-S231 VanDerWaalsContact O-CB 3.22Å; L228-S231 WeakPolarHBondContact O-CB 3.45Å; L228-S231 PolarHBondContact O-N 3.06Å; N229-S231 VanDerWaalsContact C-N 3.34Å; S231-S233 PolarHBondContact O-N 2.98Å; S231-S233 VanDerWaalsContact O-N 3.08Å; S231-I234 WeakPolarHBondContact O-CB 3.3Å; S231-I234 VanDerWaalsContact O-CG1 3.31Å; S231-I234 WeakPolarHBondContact O-CG1 3.46Å; S231-I234 PolarHBondContact O-N 3.47Å; S231-I234 VanDerWaalsContact O-N 3.1Å
232D55.8Low69.1Low105 Ų105101.6 Ų101.656%0.56154%0.539SS*.G310 helixtrans-62.8-11.6171.6-71.4-16.5000113.1L228 Q230 I234L228-D232 PolarHBondContact O-N 2.87Å; Q230-D232 VanDerWaalsContact C-N 3.35Å; D232-I234 PolarHBondContact O-N 3.33Å
233S54.5Low68.8Low89 Ų89103.1 Ų103.162%0.62254%0.539SS*.G310 helixtrans-67.8-8170.1174.60000114.2Q230 S231Q230-S233 VanDerWaalsContact O-CB 3.26Å; Q230-S233 WeakPolarHBondContact O-CB 3.39Å; Q230-S233 PolarHBondContact O-N 3.46Å; S231-S233 PolarHBondContact O-N 2.98Å; S231-S233 VanDerWaalsContact O-N 3.08Å
234I56.1Low68.5Low88 Ų88107.6 Ų107.645%0.45155%0.547SS..G310 helixtrans-81-14-177.1-64.6169000112.3S231 D232 D236S231-I234 WeakPolarHBondContact O-CB 3.3Å; S231-I234 VanDerWaalsContact O-CG1 3.31Å; S231-I234 WeakPolarHBondContact O-CG1 3.46Å; S231-I234 PolarHBondContact O-N 3.47Å; S231-I234 VanDerWaalsContact O-N 3.1Å; D232-I234 PolarHBondContact O-N 3.33Å; I234-D236 VanDerWaalsContact C-N 3.26Å; I234-D236 PolarHBondContact O-N 3.47Å
235E57.9Low68.6Low168 Ų168108.3 Ų108.379%0.78555%0.548SS*.G310 helixtrans-71.9-9.3-179.4-67.4-168.9157.200114.8I237E235-I237 PolarHBondContact O-N 2.95Å
236D61.6Low69Low93 Ų93107.7 Ų107.750%0.49755%0.546SS..  trans-80.598175.1-170.71.2000111.8I234 N238 S239I234-D236 VanDerWaalsContact C-N 3.26Å; I234-D236 PolarHBondContact O-N 3.47Å; D236-N238 PolarHBondContact O-N 3.11Å; D236-N238 PolarHBondContact OD1-N 3.48Å; D236-S239 WeakPolarHBondContact O-CB 3.36Å; D236-S239 PolarHBondContact O-N 3.45Å
237I61.2Low69.4Low119 Ų119107.6 Ų107.661%0.6155%0.545SS*.THydrogen-bonded Turntrans-52.4-23.9178.6-70.7165.8000113.2E235 R243E235-I237 PolarHBondContact O-N 2.95Å; I237-R243 WeakPolarHBondContact O-CG 3.28Å
238N66.4Low70Confident118 Ų118103.4 Ų103.463%0.63154%0.536SS*.THydrogen-bonded Turntrans-88.9-9-179.2-69.5-52.8000114.5D236D236-N238 PolarHBondContact O-N 3.11Å; D236-N238 PolarHBondContact OD1-N 3.48Å
239S71.8Confident71Confident39 Ų39102 Ų10227%0.27353%0.526SS..SBendtrans-70.6144.7172.1176.20000111.1D236 A241 G242 R243D236-S239 WeakPolarHBondContact O-CB 3.36Å; D236-S239 PolarHBondContact O-N 3.45Å; S239-A241 PolarHBondContact O-N 3.4Å; S239-A241 VanDerWaalsContact O-N 3.1Å; S239-A241 PolarHBondContact OG-N 3.22Å; S239-G242 PolarHBondContact O-N 3.01Å; S239-R243 PolarHBondContact O-N 2.86Å
240P73.8Confident72.1Confident111 Ų11199.4 Ų99.472%0.72151%0.514SS*.Hα-helixtrans-52.5-29.4171.4-26.834.7000113.9R244P240-R244 PolarHBondContact O-N 3.07Å
241A74.2Confident73.6Confident53 Ų5397 Ų9744%0.43850%0.503SS..Hα-helixtrans-72.2-43.4174.200000112.2S239 R244 H245S239-A241 PolarHBondContact O-N 3.4Å; S239-A241 VanDerWaalsContact O-N 3.1Å; S239-A241 PolarHBondContact OG-N 3.22Å; A241-R244 PolarHBondContact O-N 2.92Å; A241-H245 WeakPolarHBondContact O-CB 3.32Å; A241-H245 PolarHBondContact O-N 3.48Å
242G75.9Confident75Confident7 Ų799.2 Ų99.27%0.07251%0.51CS..Hα-helixtrans-63.8-40.9176.900000113.2S239 H245 L246S239-G242 PolarHBondContact O-N 3.01Å; G242-H245 WeakPolarHBondContact O-CB 3.5Å; G242-H245 PolarHBondContact O-N 3.29Å; G242-L246 PolarHBondContact O-N 2.92Å
243R80.1Confident76.8Confident165 Ų16598.5 Ų98.562%0.62350%0.503SS*.Hα-helixtrans-65-40.2174.4-68.5-169.8-174.9-159.80.8113.2I237 S239 H245 Q247I237-R243 WeakPolarHBondContact O-CG 3.28Å; S239-R243 PolarHBondContact O-N 2.86Å; R243-H245 VanDerWaalsContact C-N 3.33Å; R243-Q247 WeakPolarHBondContact O-CB 3.43Å; R243-Q247 PolarHBondContact O-N 2.79Å
244R81.7Confident78.7Confident179 Ų179100 Ų10068%0.67550%0.5SS*.Hα-helixtrans-65-40.7174.6-177.2-176.5-72.1-171.1-2.8110.7P240 A241 Q247 L248P240-R244 PolarHBondContact O-N 3.07Å; A241-R244 PolarHBondContact O-N 2.92Å; R244-Q247 PolarHBondContact O-N 3.28Å; R244-L248 HydrophobicContact CG-CD1 4.14Å; R244-L248 WeakPolarHBondContact O-CB 3.44Å; R244-L248 WeakPolarHBondContact O-CG 3.47Å; R244-L248 PolarHBondContact O-N 2.94Å
245H83Confident80.5Confident107 Ų107100.6 Ų100.650%0.49550%0.504SS..Hα-helixtrans-61.1-48176.3-174.866.5000111.6A241 G242 R243 Q247 L248 Q249A241-H245 WeakPolarHBondContact O-CB 3.32Å; A241-H245 PolarHBondContact O-N 3.48Å; G242-H245 WeakPolarHBondContact O-CB 3.5Å; G242-H245 PolarHBondContact O-N 3.29Å; R243-H245 VanDerWaalsContact C-N 3.33Å; H245-Q247 PolarHBondContact O-N 2.91Å; H245-L248 PolarHBondContact O-N 3.4Å; H245-Q249 WeakPolarHBondContact O-CB 3.49Å; H245-Q249 PolarHBondContact O-N 3.41Å
246L85.1Confident82.3Confident92 Ų9298 Ų9848%0.48249%0.492SS..Hα-helixtrans-61.3-41.4176.5-174.665.4000112.5G242 Q249 T250G242-L246 PolarHBondContact O-N 2.92Å; L246-Q249 WeakPolarHBondContact O-CB 3.26Å; L246-Q249 PolarHBondContact O-N 3.48Å; L246-T250 PolarHBondContact O-N 2.86Å; L246-T250 PolarHBondContact O-OG1 3.42Å
247Q86.8Confident83.8Confident124 Ų124100.3 Ų100.358%0.57950%0.499SS*.Hα-helixtrans-63.5-42.8176.5-174.6177.22100112.2R243 R244 H245 Q249 Q251R243-Q247 WeakPolarHBondContact O-CB 3.43Å; R243-Q247 PolarHBondContact O-N 2.79Å; R244-Q247 PolarHBondContact O-N 3.28Å; H245-Q247 PolarHBondContact O-N 2.91Å; Q247-Q249 VanDerWaalsContact C-N 3.32Å; Q247-Q251 WeakPolarHBondContact O-CG 3.39Å; Q247-Q251 PolarHBondContact O-N 3.26Å
248L87.6Confident85.4Confident88 Ų88100.1 Ų100.146%0.46150%0.496SS..Hα-helixtrans-66.4-35.9175.2-72.8171.1000111.6R244 H245 Q251 L252R244-L248 HydrophobicContact CG-CD1 4.14Å; R244-L248 WeakPolarHBondContact O-CB 3.44Å; R244-L248 WeakPolarHBondContact O-CG 3.47Å; R244-L248 PolarHBondContact O-N 2.94Å; H245-L248 PolarHBondContact O-N 3.4Å; L248-Q251 PolarHBondContact O-N 2.83Å; L248-L252 WeakPolarHBondContact O-CB 3.42Å; L248-L252 WeakPolarHBondContact O-CG 3.2Å; L248-L252 PolarHBondContact O-N 2.83Å
249Q88.2Confident86.6Confident84 Ų8497.8 Ų97.839%0.39349%0.486SS..Hα-helixtrans-63.9-47.9175.3-175.21784.900111.7H245 L246 Q247 Q251 L252 E253H245-Q249 WeakPolarHBondContact O-CB 3.49Å; H245-Q249 PolarHBondContact O-N 3.41Å; L246-Q249 WeakPolarHBondContact O-CB 3.26Å; L246-Q249 PolarHBondContact O-N 3.48Å; Q247-Q249 VanDerWaalsContact C-N 3.32Å; Q249-Q251 VanDerWaalsContact C-N 3.31Å; Q249-Q251 PolarHBondContact O-N 3.16Å; Q249-L252 WeakPolarHBondContact O-CB 3.31Å; Q249-L252 PolarHBondContact O-N 2.87Å; Q249-L252 VanDerWaalsContact O-N 3.15Å; Q249-E253 WeakPolarHBondContact O-CG 3.18Å; Q249-E253 PolarHBondContact O-N 3.35Å
250T90.5Very high87.7Confident60 Ų60102.5 Ų102.537%0.36850%0.502SS..Hα-helixtrans-63.7-36.3175.5-550000112.1L246 E253 Q254L246-T250 PolarHBondContact O-N 2.86Å; L246-T250 PolarHBondContact O-OG1 3.42Å; T250-E253 PolarHBondContact O-N 3.04Å; T250-Q254 WeakPolarHBondContact O-CB 3.47Å; T250-Q254 WeakPolarHBondContact O-CG 3.34Å; T250-Q254 PolarHBondContact O-N 2.93Å
251Q92.9Very high88.8Confident89 Ų89106.9 Ų106.942%0.41650%0.504SS..Hα-helixtrans-65.5-39.4173-76.5-180-11.600112.1Q247 L248 Q249 Q254 L255Q247-Q251 WeakPolarHBondContact O-CG 3.39Å; Q247-Q251 PolarHBondContact O-N 3.26Å; L248-Q251 PolarHBondContact O-N 2.83Å; Q249-Q251 VanDerWaalsContact C-N 3.31Å; Q249-Q251 PolarHBondContact O-N 3.16Å; Q251-Q254 PolarHBondContact O-N 3.27Å; Q251-L255 WeakPolarHBondContact O-CB 3.34Å; Q251-L255 VanDerWaalsContact O-CG 3.28Å; Q251-L255 WeakPolarHBondContact O-CG 3.45Å; Q251-L255 PolarHBondContact O-N 3.24Å
252L90.4Very high89.8Confident106 Ų106109.6 Ų109.656%0.55551%0.511SS*.Hα-helixtrans-63-44173.7-81.5166.3000111.4L248 Q249 L255 Q256L248-L252 WeakPolarHBondContact O-CB 3.42Å; L248-L252 WeakPolarHBondContact O-CG 3.2Å; L248-L252 PolarHBondContact O-N 2.83Å; Q249-L252 WeakPolarHBondContact O-CB 3.31Å; Q249-L252 PolarHBondContact O-N 2.87Å; Q249-L252 VanDerWaalsContact O-N 3.15Å; L252-L255 PolarHBondContact O-N 3.36Å; L252-Q256 WeakPolarHBondContact O-CB 3.26Å; L252-Q256 VanDerWaalsContact O-CG 3.27Å; L252-Q256 WeakPolarHBondContact O-CG 3.17Å; L252-Q256 PolarHBondContact O-N 2.78Å
253E93.6Very high90.6Very high90 Ų90114.1 Ų114.142%0.42153%0.53SS..Hα-helixtrans-62.4-44.3176.4-72.5167.5-176.300111.5Q249 T250 Q256 E257Q249-E253 WeakPolarHBondContact O-CG 3.18Å; Q249-E253 PolarHBondContact O-N 3.35Å; T250-E253 PolarHBondContact O-N 3.04Å; E253-Q256 WeakPolarHBondContact O-CB 3.25Å; E253-Q256 PolarHBondContact O-N 3.34Å; E253-E257 WeakPolarHBondContact O-CG 3.4Å; E253-E257 PolarHBondContact O-N 3.14Å
254Q94.6Very high91.4Very high119 Ų119108.8 Ų108.856%0.55652%0.521SS*.Hα-helixtrans-62.8-43.5175.7-75.3175.8-4.900112.7T250 Q251 Q256 E257 E258T250-Q254 WeakPolarHBondContact O-CB 3.47Å; T250-Q254 WeakPolarHBondContact O-CG 3.34Å; T250-Q254 PolarHBondContact O-N 2.93Å; Q251-Q254 PolarHBondContact O-N 3.27Å; Q254-Q256 VanDerWaalsContact C-N 3.32Å; Q254-E257 PolarHBondContact O-N 3.04Å; Q254-E258 WeakPolarHBondContact O-CB 3.41Å; Q254-E258 PolarHBondContact O-N 2.89Å
255L93.1Very high92.1Very high102 Ų102102 Ų10253%0.53450%0.503SS..Hα-helixtrans-66.3-35.3176-73.6171.8000111.6Q251 L252 T259Q251-L255 WeakPolarHBondContact O-CB 3.34Å; Q251-L255 VanDerWaalsContact O-CG 3.28Å; Q251-L255 WeakPolarHBondContact O-CG 3.45Å; Q251-L255 PolarHBondContact O-N 3.24Å; L252-L255 PolarHBondContact O-N 3.36Å; L255-T259 VanDerWaalsContact O-CB 3.32Å; L255-T259 WeakPolarHBondContact O-CB 3.48Å; L255-T259 PolarHBondContact O-N 2.83Å; L255-T259 PolarHBondContact O-OG1 3.48Å
256Q94.9Very high92.7Very high113 Ų113104.1 Ų104.153%0.52851%0.511SS..Hα-helixtrans-64.9-47.6173.2-78.8176.3-13.500111.3L252 E253 Q254 E258 T259 F260L252-Q256 WeakPolarHBondContact O-CB 3.26Å; L252-Q256 VanDerWaalsContact O-CG 3.27Å; L252-Q256 WeakPolarHBondContact O-CG 3.17Å; L252-Q256 PolarHBondContact O-N 2.78Å; E253-Q256 WeakPolarHBondContact O-CB 3.25Å; E253-Q256 PolarHBondContact O-N 3.34Å; Q254-Q256 VanDerWaalsContact C-N 3.32Å; Q256-E258 VanDerWaalsContact C-N 3.35Å; Q256-E258 PolarHBondContact O-N 3.45Å; Q256-T259 WeakPolarHBondContact O-CB 3.4Å; Q256-T259 PolarHBondContact O-N 2.86Å; Q256-F260 HydrophobicContact CB-CE2 4.43Å; Q256-F260 WeakPolarHBondContact O-CD2 3.29Å; Q256-F260 PolarHBondContact O-N 3.02Å
257E94.7Very high93.3Very high141 Ų141103.3 Ų103.366%0.65951%0.507SS*.Hα-helixtrans-60.3-42.2175.6-74.3-177.2179.200112.4E253 Q254 T259 F260 R261E253-E257 WeakPolarHBondContact O-CG 3.4Å; E253-E257 PolarHBondContact O-N 3.14Å; Q254-E257 PolarHBondContact O-N 3.04Å; E257-T259 VanDerWaalsContact C-N 3.34Å; E257-F260 PolarHBondContact O-N 3.36Å; E257-R261 WeakPolarHBondContact O-CB 3.46Å; E257-R261 PolarHBondContact O-N 3.36Å
258E94.4Very high93.7Very high116 Ų116102.8 Ų102.854%0.54251%0.508SS..Hα-helixtrans-64.9-39.3175.3-172.1169.3-163.700111.6Q254 Q256 R261 L262Q254-E258 WeakPolarHBondContact O-CB 3.41Å; Q254-E258 PolarHBondContact O-N 2.89Å; Q256-E258 VanDerWaalsContact C-N 3.35Å; Q256-E258 PolarHBondContact O-N 3.45Å; E258-R261 PolarHBondContact O-N 3.19Å; E258-L262 HydrophobicContact CG-CD1 4.14Å; E258-L262 HydrophobicContact CG-CG 4.46Å; E258-L262 WeakPolarHBondContact O-CB 3.08Å; E258-L262 VanDerWaalsContact O-CG 3.29Å; E258-L262 WeakPolarHBondContact O-CG 3.24Å; E258-L262 PolarHBondContact O-N 2.89Å
259T90.7Very high94.1Very high69 Ų69106.8 Ų106.842%0.42352%0.519SS..Hα-helixtrans-61.6-48.5174.7-58.40000111L255 Q256 E257 R261 L262 E263L255-T259 VanDerWaalsContact O-CB 3.32Å; L255-T259 WeakPolarHBondContact O-CB 3.48Å; L255-T259 PolarHBondContact O-N 2.83Å; L255-T259 PolarHBondContact O-OG1 3.48Å; Q256-T259 WeakPolarHBondContact O-CB 3.4Å; Q256-T259 PolarHBondContact O-N 2.86Å; E257-T259 VanDerWaalsContact C-N 3.34Å; T259-R261 VanDerWaalsContact C-N 3.31Å; T259-R261 PolarHBondContact O-N 3.35Å; T259-L262 PolarHBondContact O-N 2.79Å; T259-E263 HydrophobicContact CG2-CG 4.49Å; T259-E263 WeakPolarHBondContact O-CB 3.38Å; T259-E263 WeakPolarHBondContact O-CG 3.18Å; T259-E263 PolarHBondContact O-N 2.91Å
260F95.8Very high94.6Very high137 Ų137108.8 Ų108.860%0.60152%0.523SS*.Hα-helixtrans-61.3-39.1176.5-73.6-58.8000112.5Q256 E257 E263 A264Q256-F260 HydrophobicContact CB-CE2 4.43Å; Q256-F260 WeakPolarHBondContact O-CD2 3.29Å; Q256-F260 PolarHBondContact O-N 3.02Å; E257-F260 PolarHBondContact O-N 3.36Å; F260-E263 PolarHBondContact O-N 3.47Å; F260-A264 WeakPolarHBondContact O-CB 3.03Å; F260-A264 PolarHBondContact O-N 3.41Å
261R97Very high94.9Very high204 Ų204109.6 Ų109.677%0.7752%0.524SS*.Hα-helixtrans-66.5-41.4177-173.5-179.2177.4-176.7-1112E257 E258 T259 A265E257-R261 WeakPolarHBondContact O-CB 3.46Å; E257-R261 PolarHBondContact O-N 3.36Å; E258-R261 PolarHBondContact O-N 3.19Å; T259-R261 VanDerWaalsContact C-N 3.31Å; T259-R261 PolarHBondContact O-N 3.35Å; R261-A265 WeakPolarHBondContact O-CB 3.29Å; R261-A265 PolarHBondContact O-N 2.97Å
262L94.1Very high95.1Very high110 Ų110110.9 Ų110.958%0.57653%0.525SS*.Hα-helixtrans-68.3-37.2176.2-72.9173.3000111.7E258 T259 A265 K266E258-L262 HydrophobicContact CG-CD1 4.14Å; E258-L262 HydrophobicContact CG-CG 4.46Å; E258-L262 WeakPolarHBondContact O-CB 3.08Å; E258-L262 VanDerWaalsContact O-CG 3.29Å; E258-L262 WeakPolarHBondContact O-CG 3.24Å; E258-L262 PolarHBondContact O-N 2.89Å; T259-L262 PolarHBondContact O-N 2.79Å; L262-A265 PolarHBondContact O-N 2.82Å; L262-K266 VanDerWaalsContact O-CB 3.26Å; L262-K266 WeakPolarHBondContact O-CB 3.4Å; L262-K266 PolarHBondContact O-N 2.9Å
263E94.3Very high95.3Very high102 Ų102109.2 Ų109.248%0.47752%0.521SS..Hα-helixtrans-62.4-46.8173.1-78.5176.5178.800111.5T259 F260 A265 K266 D267T259-E263 HydrophobicContact CG2-CG 4.49Å; T259-E263 WeakPolarHBondContact O-CB 3.38Å; T259-E263 WeakPolarHBondContact O-CG 3.18Å; T259-E263 PolarHBondContact O-N 2.91Å; F260-E263 PolarHBondContact O-N 3.47Å; E263-A265 PolarHBondContact O-N 3.17Å; E263-K266 WeakPolarHBondContact O-CB 3.41Å; E263-K266 PolarHBondContact O-N 3.19Å; E263-D267 PolarHBondContact O-N 3.46Å
264A95.7Very high95.5Very high53 Ų53109.4 Ų109.444%0.43852%0.522SS..Hα-helixtrans-60.4-45.5175.500000112.2F260 K266 D267 D268F260-A264 WeakPolarHBondContact O-CB 3.03Å; F260-A264 PolarHBondContact O-N 3.41Å; A264-K266 VanDerWaalsContact C-N 3.32Å; A264-K266 PolarHBondContact O-N 2.98Å; A264-D267 PolarHBondContact O-N 2.92Å; A264-D268 PolarHBondContact O-N 2.9Å
265A96.3Very high95.6Very high36 Ų36108 Ų10830%0.29852%0.515SS..Hα-helixtrans-63.6-38176.600000112.2R261 L262 E263 D267 D268 Y269R261-A265 WeakPolarHBondContact O-CB 3.29Å; R261-A265 PolarHBondContact O-N 2.97Å; L262-A265 PolarHBondContact O-N 2.82Å; E263-A265 PolarHBondContact O-N 3.17Å; A265-D267 VanDerWaalsContact C-N 3.35Å; A265-D268 PolarHBondContact O-N 3.27Å; A265-Y269 HydrophobicContact CB-CE2 4.5Å; A265-Y269 WeakPolarHBondContact O-CD2 3.37Å; A265-Y269 PolarHBondContact O-N 3.33Å
266K96.3Very high95.8Very high151 Ų151107 Ų10766%0.65751%0.51SS*.Hα-helixtrans-62.4-42.6174.9178.4-170.1170-1680111.1L262 E263 A264 Y269 R270L262-K266 VanDerWaalsContact O-CB 3.26Å; L262-K266 WeakPolarHBondContact O-CB 3.4Å; L262-K266 PolarHBondContact O-N 2.9Å; E263-K266 WeakPolarHBondContact O-CB 3.41Å; E263-K266 PolarHBondContact O-N 3.19Å; A264-K266 VanDerWaalsContact C-N 3.32Å; A264-K266 PolarHBondContact O-N 2.98Å; K266-Y269 PolarHBondContact O-N 3.38Å; K266-R270 WeakPolarHBondContact O-CB 3.36Å; K266-R270 PolarHBondContact O-N 2.76Å
267D96.6Very high95.8Very high76 Ų76107.4 Ų107.441%0.40651%0.512SS..Hα-helixtrans-66.2-40.5176.4-80.4-30000112.2E263 A264 A265 Y269 R270 I271E263-D267 PolarHBondContact O-N 3.46Å; A264-D267 PolarHBondContact O-N 2.92Å; A265-D267 VanDerWaalsContact C-N 3.35Å; D267-Y269 PolarHBondContact O-N 2.75Å; D267-R270 WeakPolarHBondContact O-CB 3.49Å; D267-R270 PolarHBondContact O-N 3.46Å; D267-R270 IonicContact OD1-NE 2.79Å; D267-R270 IonicContact OD1-NH2 3.53Å; D267-I271 WeakPolarHBondContact O-CG1 3.25Å; D267-I271 PolarHBondContact O-N 2.76Å
268D96.9Very high96Very high112 Ų112107.2 Ų107.260%0.59951%0.509SS*.Hα-helixtrans-60.5-44173.5-72.2-21.1000111.7A264 A265 I271 R272A264-D268 PolarHBondContact O-N 2.9Å; A265-D268 PolarHBondContact O-N 3.27Å; D268-I271 PolarHBondContact O-N 2.81Å; D268-R272 WeakPolarHBondContact O-CB 3.5Å; D268-R272 PolarHBondContact O-N 3.47Å
269Y96.2Very high96.1Very high173 Ų173106.5 Ų106.568%0.67851%0.506SS*.Hα-helixtrans-65.3-38.1175.2-75.2-56.1000112.3A265 K266 D267 R272 C273A265-Y269 HydrophobicContact CB-CE2 4.5Å; A265-Y269 WeakPolarHBondContact O-CD2 3.37Å; A265-Y269 PolarHBondContact O-N 3.33Å; K266-Y269 PolarHBondContact O-N 3.38Å; D267-Y269 PolarHBondContact O-N 2.75Å; Y269-R272 PolarHBondContact O-N 2.6Å; Y269-C273 PolarHBondContact O-N 2.99Å; Y269-C273 PolarHBondContact O-SG 2.95Å; Y269-C273 VanDerWaalsContact O-SG 3.35Å
270R97.9Very high96.3Very high126 Ų126107.8 Ų107.848%0.47551%0.509SS..Hα-helixtrans-61.3-48.3175.6-177.3178.567.190.8-3.9111.1K266 D267 R272 C273 E274K266-R270 WeakPolarHBondContact O-CB 3.36Å; K266-R270 PolarHBondContact O-N 2.76Å; D267-R270 WeakPolarHBondContact O-CB 3.49Å; D267-R270 PolarHBondContact O-N 3.46Å; D267-R270 IonicContact OD1-NE 2.79Å; D267-R270 IonicContact OD1-NH2 3.53Å; R270-R272 VanDerWaalsContact C-N 3.3Å; R270-R272 PolarHBondContact O-N 2.83Å; R270-C273 WeakPolarHBondContact O-CB 3.45Å; R270-C273 PolarHBondContact O-N 3.35Å; R270-E274 WeakPolarHBondContact CG-OE1 3.36Å; R270-E274 IonicContact CZ-OE1 2.84Å; R270-E274 IonicContact NH1-OE1 3.74Å; R270-E274 PolarHBondContact NH1-OE1 3.44Å; R270-E274 IonicContact NH1-OE2 2.85Å; R270-E274 WeakPolarHBondContact O-CG 3.32Å; R270-E274 PolarHBondContact O-N 3.42Å
271I97.6Very high96.4Very high76 Ų76106.6 Ų106.639%0.3951%0.509SS..Hα-helixtrans-60.1-43.2176.4-66.5166.6000110.1D267 D268 C273 E274 E275D267-I271 WeakPolarHBondContact O-CG1 3.25Å; D267-I271 PolarHBondContact O-N 2.76Å; D268-I271 PolarHBondContact O-N 2.81Å; I271-C273 VanDerWaalsContact C-N 3.32Å; I271-C273 PolarHBondContact O-N 3.45Å; I271-E274 PolarHBondContact O-N 3.43Å; I271-E275 HydrophobicContact CG2-CG 4.45Å; I271-E275 WeakPolarHBondContact O-CG 3.41Å; I271-E275 PolarHBondContact O-N 3.44Å
272R96.9Very high96.4Very high117 Ų117100.9 Ų100.944%0.44249%0.493SS..Hα-helixtrans-64.4-36.8178.7-171.860.1-176.81618.3112.9D268 Y269 R270 E275 L276D268-R272 WeakPolarHBondContact O-CB 3.5Å; D268-R272 PolarHBondContact O-N 3.47Å; Y269-R272 PolarHBondContact O-N 2.6Å; R270-R272 VanDerWaalsContact C-N 3.3Å; R270-R272 PolarHBondContact O-N 2.83Å; R272-E275 IonicContact CZ-OE2 3.55Å; R272-E275 IonicContact NH1-OE2 3.97Å; R272-E275 PolarHBondContact NH1-OE2 2.8Å; R272-L276 HydrophobicContact CG-CD1 4.28Å; R272-L276 WeakPolarHBondContact O-CB 3.49Å; R272-L276 VanDerWaalsContact O-CG 3.29Å; R272-L276 WeakPolarHBondContact O-CG 3.24Å; R272-L276 PolarHBondContact O-N 3.42Å
273C94.9Very high96.5Very high70 Ų70100 Ų10047%0.47349%0.493SS..Hα-helixtrans-64-46.3172.8-74.60000111.3Y269 R270 I271 E275 L276 E277Y269-C273 PolarHBondContact O-N 2.99Å; Y269-C273 PolarHBondContact O-SG 2.95Å; Y269-C273 VanDerWaalsContact O-SG 3.35Å; R270-C273 WeakPolarHBondContact O-CB 3.45Å; R270-C273 PolarHBondContact O-N 3.35Å; I271-C273 VanDerWaalsContact C-N 3.32Å; I271-C273 PolarHBondContact O-N 3.45Å; C273-E275 VanDerWaalsContact C-N 3.32Å; C273-E275 PolarHBondContact O-N 2.88Å; C273-L276 PolarHBondContact O-N 3.03Å; C273-E277 WeakPolarHBondContact O-CB 3.22Å; C273-E277 WeakPolarHBondContact O-CG 3.19Å; C273-E277 PolarHBondContact O-N 3.48Å
274E96.7Very high96.7Very high95 Ų95100.7 Ų100.744%0.44449%0.494SS..Hα-helixtrans-60.4-40176.8-69.7170.1-166.600111.8R270 I271 K278R270-E274 WeakPolarHBondContact CG-OE1 3.36Å; R270-E274 IonicContact CZ-OE1 2.84Å; R270-E274 IonicContact NH1-OE1 3.74Å; R270-E274 PolarHBondContact NH1-OE1 3.44Å; R270-E274 IonicContact NH1-OE2 2.85Å; R270-E274 WeakPolarHBondContact O-CG 3.32Å; R270-E274 PolarHBondContact O-N 3.42Å; I271-E274 PolarHBondContact O-N 3.43Å; E274-K278 WeakPolarHBondContact O-CB 3.42Å; E274-K278 PolarHBondContact O-N 3.38Å
275E96.8Very high96.8Very high89 Ų89100.7 Ų100.742%0.41649%0.491SS..Hα-helixtrans-63.6-47174-73.9177.4170.700112.5I271 R272 C273 E277 K278 E279I271-E275 HydrophobicContact CG2-CG 4.45Å; I271-E275 WeakPolarHBondContact O-CG 3.41Å; I271-E275 PolarHBondContact O-N 3.44Å; R272-E275 IonicContact CZ-OE2 3.55Å; R272-E275 IonicContact NH1-OE2 3.97Å; R272-E275 PolarHBondContact NH1-OE2 2.8Å; C273-E275 VanDerWaalsContact C-N 3.32Å; C273-E275 PolarHBondContact O-N 2.88Å; E275-E277 VanDerWaalsContact C-N 3.34Å; E275-E277 PolarHBondContact O-N 3.1Å; E275-K278 WeakPolarHBondContact O-CB 3.42Å; E275-K278 PolarHBondContact O-N 3.08Å; E275-E279 WeakPolarHBondContact O-CG 3.45Å; E275-E279 PolarHBondContact O-N 2.94Å
276L96.3Very high96.8Very high80 Ų80104.6 Ų104.642%0.41950%0.503SS..Hα-helixtrans-66.2-36.7179.1-74.3171.8000111.9R272 C273 K278 E279 L280R272-L276 HydrophobicContact CG-CD1 4.28Å; R272-L276 WeakPolarHBondContact O-CB 3.49Å; R272-L276 VanDerWaalsContact O-CG 3.29Å; R272-L276 WeakPolarHBondContact O-CG 3.24Å; R272-L276 PolarHBondContact O-N 3.42Å; C273-L276 PolarHBondContact O-N 3.03Å; L276-K278 VanDerWaalsContact C-N 3.32Å; L276-E279 PolarHBondContact O-N 3.21Å; L276-L280 WeakPolarHBondContact O-CB 3.23Å; L276-L280 PolarHBondContact O-N 2.76Å
277E96.7Very high96.8Very high123 Ų123102.1 Ų102.158%0.57550%0.497SS*.Hα-helixtrans-62.7-41.1173.3-77.3175.4-177.100111.3C273 E275 L280 L281C273-E277 WeakPolarHBondContact O-CB 3.22Å; C273-E277 WeakPolarHBondContact O-CG 3.19Å; C273-E277 PolarHBondContact O-N 3.48Å; E275-E277 VanDerWaalsContact C-N 3.34Å; E275-E277 PolarHBondContact O-N 3.1Å; E277-L280 PolarHBondContact O-N 3.19Å; E277-L281 WeakPolarHBondContact O-CG 3.29Å; E277-L281 PolarHBondContact O-N 3.33Å
278K97.8Very high96.8Very high137 Ų137105 Ų10560%0.59651%0.508SS*.Hα-helixtrans-65.3-47.7174.8-173.2-178.1175.9-175.40112.1E274 E275 L276 L280 L281 D282E274-K278 WeakPolarHBondContact O-CB 3.42Å; E274-K278 PolarHBondContact O-N 3.38Å; E275-K278 WeakPolarHBondContact O-CB 3.42Å; E275-K278 PolarHBondContact O-N 3.08Å; L276-K278 VanDerWaalsContact C-N 3.32Å; K278-L280 PolarHBondContact O-N 2.89Å; K278-L281 PolarHBondContact O-N 2.86Å; K278-D282 PolarHBondContact O-N 3.26Å
279E97.1Very high96.8Very high101 Ų101105.2 Ų105.247%0.47251%0.505SS..Hα-helixtrans-58.3-39.5175.4-73.5176.5-172.700111.3E275 L276 D282 V283E275-E279 WeakPolarHBondContact O-CG 3.45Å; E275-E279 PolarHBondContact O-N 2.94Å; L276-E279 PolarHBondContact O-N 3.21Å; E279-D282 PolarHBondContact O-N 2.86Å; E279-V283 WeakPolarHBondContact O-CB 3.1Å; E279-V283 VanDerWaalsContact O-CG2 3.26Å; E279-V283 WeakPolarHBondContact O-CG2 3.5Å; E279-V283 PolarHBondContact O-N 2.88Å
280L95.2Very high96.8Very high95 Ų95102.4 Ų102.450%0.49750%0.502SS..Hα-helixtrans-67.1-39.2177.7-173.2150.3000112L276 E277 K278 K284L276-L280 WeakPolarHBondContact O-CB 3.23Å; L276-L280 PolarHBondContact O-N 2.76Å; E277-L280 PolarHBondContact O-N 3.19Å; K278-L280 PolarHBondContact O-N 2.89Å; L280-K284 HydrophobicContact CD2-CD 3.78Å; L280-K284 HydrophobicContact CD2-CG 4.37Å; L280-K284 WeakPolarHBondContact O-CB 3.22Å; L280-K284 VanDerWaalsContact O-CG 3.31Å; L280-K284 WeakPolarHBondContact O-CG 3.4Å; L280-K284 PolarHBondContact O-N 3.33Å
281L97.5Very high96.8Very high113 Ų11399.8 Ų99.859%0.59250%0.499SS*.Hα-helixtrans-65.4-45172.9-78.6166.7000111.8E277 K278 V283 K284 S285E277-L281 WeakPolarHBondContact O-CG 3.29Å; E277-L281 PolarHBondContact O-N 3.33Å; K278-L281 PolarHBondContact O-N 2.86Å; L281-V283 VanDerWaalsContact C-N 3.34Å; L281-V283 PolarHBondContact O-N 3.5Å; L281-K284 PolarHBondContact O-N 3.34Å; L281-S285 PolarHBondContact O-N 3.4Å
282D97.4Very high96.8Very high83 Ų8399.7 Ų99.744%0.44451%0.506SS..Hα-helixtrans-61.1-43.5178.4-70.9-16.2000110.8K278 E279 S285 Q286K278-D282 PolarHBondContact O-N 3.26Å; E279-D282 PolarHBondContact O-N 2.86Å; D282-S285 PolarHBondContact O-N 3.27Å; D282-Q286 WeakPolarHBondContact O-CG 3.47Å; D282-Q286 PolarHBondContact O-N 3.28Å
283V96.4Very high96.8Very high92 Ų9299 Ų9956%0.55851%0.51SS*.Hα-helixtrans-66.5-381761710000111.8E279 L281 Q286 N287E279-V283 WeakPolarHBondContact O-CB 3.1Å; E279-V283 VanDerWaalsContact O-CG2 3.26Å; E279-V283 WeakPolarHBondContact O-CG2 3.5Å; E279-V283 PolarHBondContact O-N 2.88Å; L281-V283 VanDerWaalsContact C-N 3.34Å; L281-V283 PolarHBondContact O-N 3.5Å; V283-Q286 PolarHBondContact O-N 3.06Å; V283-N287 WeakPolarHBondContact O-CB 3.44Å; V283-N287 PolarHBondContact O-N 3.46Å
284K97.1Very high96.8Very high117 Ų11798.3 Ų98.351%0.50951%0.51SS..Hα-helixtrans-62.9-47174.3-81.4179.4176.5175.20111.6L280 L281 Q286 N287 E288L280-K284 HydrophobicContact CD2-CD 3.78Å; L280-K284 HydrophobicContact CD2-CG 4.37Å; L280-K284 WeakPolarHBondContact O-CB 3.22Å; L280-K284 VanDerWaalsContact O-CG 3.31Å; L280-K284 WeakPolarHBondContact O-CG 3.4Å; L280-K284 PolarHBondContact O-N 3.33Å; L281-K284 PolarHBondContact O-N 3.34Å; K284-Q286 VanDerWaalsContact C-N 3.32Å; K284-Q286 PolarHBondContact O-N 2.88Å; K284-N287 WeakPolarHBondContact O-CB 3.49Å; K284-N287 PolarHBondContact O-N 2.91Å; K284-N287 VanDerWaalsContact O-N 3.09Å; K284-E288 WeakPolarHBondContact O-CG 3.48Å; K284-E288 PolarHBondContact O-N 2.89Å
285S97.6Very high96.8Very high53 Ų5399 Ų9937%0.37152%0.516SS..Hα-helixtrans-58.1-45.1176-171.40000111.3L281 D282 N287 E288 E289L281-S285 PolarHBondContact O-N 3.4Å; D282-S285 PolarHBondContact O-N 3.27Å; S285-N287 VanDerWaalsContact C-N 3.3Å; S285-N287 PolarHBondContact O-N 3.12Å; S285-E288 PolarHBondContact O-N 2.74Å; S285-E289 WeakPolarHBondContact O-CG 3.31Å; S285-E289 PolarHBondContact O-N 3.35Å
286Q97.5Very high96.8Very high117 Ų117100 Ų10055%0.54752%0.521SS..Hα-helixtrans-62.7-36.7176-73.9176.97.700112.5D282 V283 K284 L290D282-Q286 WeakPolarHBondContact O-CG 3.47Å; D282-Q286 PolarHBondContact O-N 3.28Å; V283-Q286 PolarHBondContact O-N 3.06Å; K284-Q286 VanDerWaalsContact C-N 3.32Å; K284-Q286 PolarHBondContact O-N 2.88Å; Q286-L290 WeakPolarHBondContact O-CB 3.39Å; Q286-L290 VanDerWaalsContact O-CG 3.24Å; Q286-L290 WeakPolarHBondContact O-CG 3.28Å; Q286-L290 PolarHBondContact O-N 2.82Å
287N94.8Very high96.8Very high100 Ų10099 Ų9954%0.53553%0.525SS..Hα-helixtrans-70.4-37.8177.9-162.710.3000111.9V283 K284 S285 L290 T291V283-N287 WeakPolarHBondContact O-CB 3.44Å; V283-N287 PolarHBondContact O-N 3.46Å; K284-N287 WeakPolarHBondContact O-CB 3.49Å; K284-N287 PolarHBondContact O-N 2.91Å; K284-N287 VanDerWaalsContact O-N 3.09Å; S285-N287 VanDerWaalsContact C-N 3.3Å; S285-N287 PolarHBondContact O-N 3.12Å; N287-L290 PolarHBondContact O-N 3.39Å; N287-T291 WeakPolarHBondContact O-CB 3.35Å; N287-T291 PolarHBondContact O-N 3.18Å; N287-T291 PolarHBondContact O-OG1 3.16Å
288E97.1Very high96.8Very high135 Ų13597.4 Ų97.463%0.63152%0.517SS*.Hα-helixtrans-63.2-44.4172.9-72.4170.3-169.300111.3K284 S285 T291 S292K284-E288 WeakPolarHBondContact O-CG 3.48Å; K284-E288 PolarHBondContact O-N 2.89Å; S285-E288 PolarHBondContact O-N 2.74Å; E288-T291 PolarHBondContact O-N 2.86Å; E288-S292 PolarHBondContact O-N 3.32Å
289E97.4Very high96.8Very high117 Ų11793.8 Ų93.855%0.54751%0.509SS..Hα-helixtrans-60.9-45.5173.9-73.1174.6-162.900112.1S285 T291 S292 L293S285-E289 WeakPolarHBondContact O-CG 3.31Å; S285-E289 PolarHBondContact O-N 3.35Å; E289-T291 VanDerWaalsContact C-N 3.3Å; E289-T291 PolarHBondContact O-N 3.37Å; E289-S292 PolarHBondContact O-N 3.43Å; E289-L293 WeakPolarHBondContact O-CB 3.13Å; E289-L293 WeakPolarHBondContact O-CG 3.5Å; E289-L293 PolarHBondContact O-N 3.39Å
290L96.3Very high96.7Very high115 Ų11593.2 Ų93.260%0.60251%0.509SS*.Hα-helixtrans-63.6-36.4176.4-75172.4000112.2Q286 N287 A294Q286-L290 WeakPolarHBondContact O-CB 3.39Å; Q286-L290 VanDerWaalsContact O-CG 3.24Å; Q286-L290 WeakPolarHBondContact O-CG 3.28Å; Q286-L290 PolarHBondContact O-N 2.82Å; N287-L290 PolarHBondContact O-N 3.39Å; L290-A294 WeakPolarHBondContact O-CB 2.92Å; L290-A294 PolarHBondContact O-N 2.96Å
291T97Very high96.8Very high70 Ų7094.3 Ų94.343%0.42951%0.509SS..Hα-helixtrans-67.2-46.5175.5-56.90000110.4N287 E288 E289 L293 A294 D295N287-T291 WeakPolarHBondContact O-CB 3.35Å; N287-T291 PolarHBondContact O-N 3.18Å; N287-T291 PolarHBondContact O-OG1 3.16Å; E288-T291 PolarHBondContact O-N 2.86Å; E289-T291 VanDerWaalsContact C-N 3.3Å; E289-T291 PolarHBondContact O-N 3.37Å; T291-L293 VanDerWaalsContact C-N 3.31Å; T291-L293 PolarHBondContact O-N 2.98Å; T291-A294 WeakPolarHBondContact O-CB 3.46Å; T291-A294 PolarHBondContact O-N 2.99Å; T291-A294 VanDerWaalsContact O-N 3.1Å; T291-D295 PolarHBondContact O-N 3.35Å
292S97.4Very high96.8Very high75 Ų7592.8 Ų92.852%0.52450%0.502SS..Hα-helixtrans-59.3-40.8175.5-175.80000112.3E288 E289 D295 E296E288-S292 PolarHBondContact O-N 3.32Å; E289-S292 PolarHBondContact O-N 3.43Å; S292-D295 PolarHBondContact O-N 3.34Å; S292-E296 PolarHBondContact O-N 3.37Å
293L97.3Very high96.8Very high101 Ų10194.1 Ų94.153%0.52951%0.506SS..Hα-helixtrans-67.7-35.2175.8-75.9168.4000112.3E289 T291 A297E289-L293 WeakPolarHBondContact O-CB 3.13Å; E289-L293 WeakPolarHBondContact O-CG 3.5Å; E289-L293 PolarHBondContact O-N 3.39Å; T291-L293 VanDerWaalsContact C-N 3.31Å; T291-L293 PolarHBondContact O-N 2.98Å; L293-A297 VanDerWaalsContact O-CB 3.3Å; L293-A297 WeakPolarHBondContact O-CB 3.42Å; L293-A297 PolarHBondContact O-N 3.05Å
294A95.8Very high96.8Very high57 Ų5794.9 Ų94.947%0.47151%0.505SS..Hα-helixtrans-66.9-41.1175.100000111.5L290 T291 A297 Q298L290-A294 WeakPolarHBondContact O-CB 2.92Å; L290-A294 PolarHBondContact O-N 2.96Å; T291-A294 WeakPolarHBondContact O-CB 3.46Å; T291-A294 PolarHBondContact O-N 2.99Å; T291-A294 VanDerWaalsContact O-N 3.1Å; A294-A297 PolarHBondContact O-N 3.47Å; A294-Q298 WeakPolarHBondContact O-CB 3.47Å; A294-Q298 PolarHBondContact O-N 3.31Å
295D96.9Very high96.8Very high108 Ų10892.3 Ų92.358%0.57850%0.496SS*.Hα-helixtrans-65-42.7175.6-69.6-21.3000111.4T291 S292 Q298 S299T291-D295 PolarHBondContact O-N 3.35Å; S292-D295 PolarHBondContact O-N 3.34Å; D295-Q298 PolarHBondContact O-N 3.06Å; D295-S299 PolarHBondContact O-N 3.2Å
296E97.3Very high96.8Very high110 Ų11094.5 Ų94.551%0.51451%0.507SS..Hα-helixtrans-62.5-45.1174-172.9-179.3179.100111.5S292 Q298 S299 L300S292-E296 PolarHBondContact O-N 3.37Å; E296-Q298 VanDerWaalsContact C-N 3.25Å; E296-Q298 PolarHBondContact O-N 2.9Å; E296-S299 PolarHBondContact O-N 3.46Å; E296-L300 HydrophobicContact CG-CD1 4.26Å; E296-L300 WeakPolarHBondContact O-CB 3.29Å; E296-L300 WeakPolarHBondContact O-CG 3.36Å; E296-L300 PolarHBondContact O-N 2.97Å
297A95.7Very high96.7Very high60 Ų6094.1 Ų94.150%0.49651%0.508SS..Hα-helixtrans-61.2-35.5176.300000112.2L293 A294 K301L293-A297 VanDerWaalsContact O-CB 3.3Å; L293-A297 WeakPolarHBondContact O-CB 3.42Å; L293-A297 PolarHBondContact O-N 3.05Å; A294-A297 PolarHBondContact O-N 3.47Å; A297-K301 WeakPolarHBondContact O-CB 3.46Å; A297-K301 PolarHBondContact O-N 2.98Å
298Q97Very high96.8Very high89 Ų8996.6 Ų96.642%0.41651%0.51SS..Hα-helixtrans-70.5-43.3175.6-174.456.438.200111.5A294 D295 E296 L300 K301 D302A294-Q298 WeakPolarHBondContact O-CB 3.47Å; A294-Q298 PolarHBondContact O-N 3.31Å; D295-Q298 PolarHBondContact O-N 3.06Å; E296-Q298 VanDerWaalsContact C-N 3.25Å; E296-Q298 PolarHBondContact O-N 2.9Å; Q298-L300 PolarHBondContact O-N 2.84Å; Q298-K301 WeakPolarHBondContact O-CB 3.31Å; Q298-K301 PolarHBondContact O-N 2.92Å; Q298-D302 PolarHBondContact NE2-OD1 3.49Å; Q298-D302 VanDerWaalsContact NE2-OD1 3.09Å; Q298-D302 PolarHBondContact O-N 2.87Å
299S96.2Very high96.8Very high62 Ų6297.1 Ų97.143%0.43451%0.512SS..Hα-helixtrans-59.5-46.7174-172.50000111.9D295 E296 K301 D302 E303D295-S299 PolarHBondContact O-N 3.2Å; E296-S299 PolarHBondContact O-N 3.46Å; S299-K301 VanDerWaalsContact C-N 3.27Å; S299-K301 PolarHBondContact O-N 3.25Å; S299-D302 PolarHBondContact O-N 3.1Å; S299-E303 PolarHBondContact O-N 3.45Å
300L96.3Very high96.7Very high89 Ų8994.2 Ų94.247%0.46651%0.505SS..Hα-helixtrans-61.8-35.9176.9-72.6173.4000112.1E296 Q298 M304E296-L300 HydrophobicContact CG-CD1 4.26Å; E296-L300 WeakPolarHBondContact O-CB 3.29Å; E296-L300 WeakPolarHBondContact O-CG 3.36Å; E296-L300 PolarHBondContact O-N 2.97Å; Q298-L300 PolarHBondContact O-N 2.84Å; L300-M304 WeakPolarHBondContact O-CB 3.45Å; L300-M304 VanDerWaalsContact O-CG 3.31Å; L300-M304 WeakPolarHBondContact O-CG 3.4Å; L300-M304 PolarHBondContact O-N 2.89Å
301K97.7Very high96.7Very high117 Ų11791.9 Ų91.951%0.50950%0.498SS..Hα-helixtrans-65.8-43.6175-177.7-177.2173.6-170.30111.6A297 Q298 S299 E303 M304 D305A297-K301 WeakPolarHBondContact O-CB 3.46Å; A297-K301 PolarHBondContact O-N 2.98Å; Q298-K301 WeakPolarHBondContact O-CB 3.31Å; Q298-K301 PolarHBondContact O-N 2.92Å; S299-K301 VanDerWaalsContact C-N 3.27Å; S299-K301 PolarHBondContact O-N 3.25Å; K301-E303 VanDerWaalsContact C-N 3.33Å; K301-M304 WeakPolarHBondContact O-CB 3.49Å; K301-M304 PolarHBondContact O-N 3.43Å; K301-D305 PolarHBondContact O-N 3.34Å
302D97.4Very high96.6Very high82 Ų8292.8 Ų92.844%0.43950%0.5SS..Hα-helixtrans-63.9-41177.5-66.1-16.1000110.8Q298 S299 D305 V306Q298-D302 PolarHBondContact NE2-OD1 3.49Å; Q298-D302 VanDerWaalsContact NE2-OD1 3.09Å; Q298-D302 PolarHBondContact O-N 2.87Å; S299-D302 PolarHBondContact O-N 3.1Å; D302-D305 PolarHBondContact O-N 2.91Å; D302-V306 WeakPolarHBondContact O-CG2 3.47Å; D302-V306 PolarHBondContact O-N 2.86Å
303E96.9Very high96.6Very high111 Ų11196 Ų9652%0.51951%0.505SS..Hα-helixtrans-60.5-44.5171.7-73.4-179-158.700112.3S299 K301 D305 V306 L307S299-E303 PolarHBondContact O-N 3.45Å; K301-E303 VanDerWaalsContact C-N 3.33Å; E303-D305 VanDerWaalsContact C-N 3.29Å; E303-D305 PolarHBondContact O-N 3.21Å; E303-V306 PolarHBondContact O-N 3.34Å; E303-L307 WeakPolarHBondContact O-CG 3.4Å; E303-L307 PolarHBondContact O-N 3.47Å
304M96.7Very high96.6Very high108 Ų10894.7 Ų94.753%0.53250%0.501SS..Hα-helixtrans-60.3-38.9175.2-77.7-142.17500112.4L300 K301 L307 R308L300-M304 WeakPolarHBondContact O-CB 3.45Å; L300-M304 VanDerWaalsContact O-CG 3.31Å; L300-M304 WeakPolarHBondContact O-CG 3.4Å; L300-M304 PolarHBondContact O-N 2.89Å; K301-M304 WeakPolarHBondContact O-CB 3.49Å; K301-M304 PolarHBondContact O-N 3.43Å; M304-L307 PolarHBondContact O-N 2.97Å; M304-R308 WeakPolarHBondContact O-CG 3.4Å; M304-R308 PolarHBondContact O-N 2.99Å
305D97.6Very high96.7Very high62 Ų6295 Ų9533%0.33250%0.5SS..Hα-helixtrans-70.6-37178.5-75.3-20.1000111.6K301 D302 E303 R308 H309K301-D305 PolarHBondContact O-N 3.34Å; D302-D305 PolarHBondContact O-N 2.91Å; E303-D305 VanDerWaalsContact C-N 3.29Å; E303-D305 PolarHBondContact O-N 3.21Å; D305-R308 PolarHBondContact O-N 2.95Å; D305-R308 IonicContact OD1-NH1 3.98Å; D305-R308 PolarHBondContact OD1-NH1 3.41Å; D305-H309 PolarHBondContact O-N 3.14Å
306V97.2Very high96.7Very high100 Ų10097.3 Ų97.361%0.60651%0.505SS*.Hα-helixtrans-61.5-44.2169.9172.20000111.1D302 E303 H309 S310D302-V306 WeakPolarHBondContact O-CG2 3.47Å; D302-V306 PolarHBondContact O-N 2.86Å; E303-V306 PolarHBondContact O-N 3.34Å; V306-H309 PolarHBondContact O-N 2.87Å; V306-S310 PolarHBondContact O-N 3.41Å
307L94.9Very high96.6Very high109 Ų10996.7 Ų96.757%0.57150%0.504SS*.Hα-helixtrans-65.9-36.1176.7-70.7175.7000112.5E303 M304 S310 S311E303-L307 WeakPolarHBondContact O-CG 3.4Å; E303-L307 PolarHBondContact O-N 3.47Å; M304-L307 PolarHBondContact O-N 2.97Å; L307-S310 WeakPolarHBondContact CA-OG 3.27Å; L307-S310 PolarHBondContact O-N 3.39Å; L307-S310 PolarHBondContact O-OG 2.67Å; L307-S311 VanDerWaalsContact O-CB 3.31Å; L307-S311 WeakPolarHBondContact O-CB 3.33Å; L307-S311 PolarHBondContact O-N 3.4Å
308R97.6Very high96.6Very high152 Ų15299.6 Ų99.657%0.57451%0.508SS*.Hα-helixtrans-63.5-46172.3-80.1174.8175.4162.2-1.8111.6M304 D305 S310 S311 D312M304-R308 WeakPolarHBondContact O-CG 3.4Å; M304-R308 PolarHBondContact O-N 2.99Å; D305-R308 PolarHBondContact O-N 2.95Å; D305-R308 IonicContact OD1-NH1 3.98Å; D305-R308 PolarHBondContact OD1-NH1 3.41Å; R308-S310 VanDerWaalsContact C-N 3.33Å; R308-S310 PolarHBondContact O-N 3Å; R308-S311 WeakPolarHBondContact O-CB 3.29Å; R308-S311 PolarHBondContact O-N 3.07Å; R308-D312 PolarHBondContact O-N 3.18Å
309H95.9Very high96.6Very high145 Ų14597.4 Ų97.467%0.67151%0.509SS*.Hα-helixtrans-63.1-38.2176.6-92.7-40.8000113D305 V306 K313D305-H309 PolarHBondContact O-N 3.14Å; V306-H309 PolarHBondContact O-N 2.87Å; H309-K313 WeakPolarHBondContact O-CB 3.45Å; H309-K313 PolarHBondContact O-N 3.05Å; H309-K313 VanDerWaalsContact O-N 3.09Å
310S94.8Very high96.6Very high57 Ų5797.6 Ų97.640%0.39951%0.508SS..Hα-helixtrans-68.1-40.7175.474.80000111.5V306 L307 R308 K313 V314V306-S310 PolarHBondContact O-N 3.41Å; L307-S310 WeakPolarHBondContact CA-OG 3.27Å; L307-S310 PolarHBondContact O-N 3.39Å; L307-S310 PolarHBondContact O-OG 2.67Å; R308-S310 VanDerWaalsContact C-N 3.33Å; R308-S310 PolarHBondContact O-N 3Å; S310-K313 WeakPolarHBondContact O-CB 3.47Å; S310-K313 PolarHBondContact O-N 3.26Å; S310-V314 WeakPolarHBondContact O-CG2 3.38Å; S310-V314 PolarHBondContact O-N 3Å
311S96.3Very high96.7Very high66 Ų6696.9 Ų96.946%0.46251%0.507SS..Hα-helixtrans-59-49173.3-174.10000112.1L307 R308 K313 V314 S315L307-S311 VanDerWaalsContact O-CB 3.31Å; L307-S311 WeakPolarHBondContact O-CB 3.33Å; L307-S311 PolarHBondContact O-N 3.4Å; R308-S311 WeakPolarHBondContact O-CB 3.29Å; R308-S311 PolarHBondContact O-N 3.07Å; S311-K313 PolarHBondContact O-N 3.32Å; S311-V314 CarbonylContact O-C 3.57Å; S311-V314 WeakPolarHBondContact O-CA 3.27Å; S311-V314 WeakPolarHBondContact O-CB 3.45Å; S311-V314 PolarHBondContact O-N 2.88Å; S311-S315 PolarHBondContact O-N 2.86Å; S311-S315 PolarHBondContact O-OG 2.89Å
312D96.7Very high96.6Very high88 Ų8896.5 Ų96.547%0.47151%0.507SS..Hα-helixtrans-59.1-37.5176.4-77.6-13.9000112.2R308 K316R308-D312 PolarHBondContact O-N 3.18Å; D312-K316 VanDerWaalsContact O-CG 3.31Å; D312-K316 WeakPolarHBondContact O-CG 3.48Å; D312-K316 PolarHBondContact O-N 3.13Å
313K97.6Very high96.6Very high143 Ų14397.5 Ų97.562%0.62251%0.509SS*.Hα-helixtrans-66.5-42175.2-175179.7179.3-178.10111H309 S310 S311 K316 L317H309-K313 WeakPolarHBondContact O-CB 3.45Å; H309-K313 PolarHBondContact O-N 3.05Å; H309-K313 VanDerWaalsContact O-N 3.09Å; S310-K313 WeakPolarHBondContact O-CB 3.47Å; S310-K313 PolarHBondContact O-N 3.26Å; S311-K313 PolarHBondContact O-N 3.32Å; K313-K316 PolarHBondContact O-N 3Å; K313-L317 HydrophobicContact CG-CD1 4.44Å; K313-L317 WeakPolarHBondContact O-CG 3.26Å; K313-L317 PolarHBondContact O-N 2.81Å
314V96.6Very high96.6Very high74 Ų7499.5 Ų99.545%0.44851%0.513SS..Hα-helixtrans-61.7-49.4174.8171.90000110.4S310 S311 K316 L317 E318S310-V314 WeakPolarHBondContact O-CG2 3.38Å; S310-V314 PolarHBondContact O-N 3Å; S311-V314 CarbonylContact O-C 3.57Å; S311-V314 WeakPolarHBondContact O-CA 3.27Å; S311-V314 WeakPolarHBondContact O-CB 3.45Å; S311-V314 PolarHBondContact O-N 2.88Å; V314-K316 VanDerWaalsContact C-N 3.28Å; V314-K316 PolarHBondContact O-N 2.89Å; V314-L317 CarbonylContact O-C 3.58Å; V314-L317 WeakPolarHBondContact O-CA 3.4Å; V314-L317 WeakPolarHBondContact O-CB 3.46Å; V314-L317 PolarHBondContact O-N 3.28Å; V314-E318 HydrophobicContact CG1-CG 4.21Å; V314-E318 WeakPolarHBondContact O-CG 3.31Å; V314-E318 PolarHBondContact O-N 2.76Å
315S97.3Very high96.6Very high64 Ų6499.7 Ų99.745%0.44851%0.511SS..Hα-helixtrans-59.4-36.9177.8-64.80000113S311 G319S311-S315 PolarHBondContact O-N 2.86Å; S311-S315 PolarHBondContact O-OG 2.89Å; S315-G319 PolarHBondContact O-N 3Å
316K97.2Very high96.6Very high155 Ų155102.9 Ų102.967%0.67452%0.521SS*.Hα-helixtrans-64.2-44.5172.3-74.2171.2-174.4171.70111.8D312 K313 V314 G319 T320D312-K316 VanDerWaalsContact O-CG 3.31Å; D312-K316 WeakPolarHBondContact O-CG 3.48Å; D312-K316 PolarHBondContact O-N 3.13Å; K313-K316 PolarHBondContact O-N 3Å; V314-K316 VanDerWaalsContact C-N 3.28Å; V314-K316 PolarHBondContact O-N 2.89Å; K316-G319 PolarHBondContact O-N 2.79Å; K316-T320 WeakPolarHBondContact O-CG2 3.44Å; K316-T320 PolarHBondContact O-N 2.85Å
317L95.4Very high96.5Very high97 Ų97103.1 Ų103.151%0.50851%0.514SS..Hα-helixtrans-63.6-43.6177.2-71.9172.8000111.4K313 V314 G319 T320 V321K313-L317 HydrophobicContact CG-CD1 4.44Å; K313-L317 WeakPolarHBondContact O-CG 3.26Å; K313-L317 PolarHBondContact O-N 2.81Å; V314-L317 CarbonylContact O-C 3.58Å; V314-L317 WeakPolarHBondContact O-CA 3.4Å; V314-L317 WeakPolarHBondContact O-CB 3.46Å; V314-L317 PolarHBondContact O-N 3.28Å; L317-G319 VanDerWaalsContact C-N 3.32Å; L317-G319 PolarHBondContact O-N 3Å; L317-T320 PolarHBondContact O-N 3.26Å; L317-T320 PolarHBondContact O-OG1 2.97Å; L317-V321 WeakPolarHBondContact O-CG2 3.45Å; L317-V321 PolarHBondContact O-N 3.5Å
318E95.9Very high96.5Very high121 Ų121104.3 Ų104.357%0.56552%0.521SS*.Hα-helixtrans-56.7-44.9173.6-71.8176.5156.700111.6V314 T320 V321 E322V314-E318 HydrophobicContact CG1-CG 4.21Å; V314-E318 WeakPolarHBondContact O-CG 3.31Å; V314-E318 PolarHBondContact O-N 2.76Å; E318-T320 VanDerWaalsContact C-N 3.32Å; E318-T320 PolarHBondContact O-N 3.45Å; E318-V321 PolarHBondContact O-N 3.27Å; E318-E322 WeakPolarHBondContact O-CB 3.41Å; E318-E322 PolarHBondContact O-N 2.94Å
319G97Very high96.5Very high43 Ų43103.1 Ų103.144%0.44352%0.521SS..Hα-helixtrans-59-39.7173.900000113.2S315 K316 L317 H323S315-G319 PolarHBondContact O-N 3Å; K316-G319 PolarHBondContact O-N 2.79Å; L317-G319 VanDerWaalsContact C-N 3.32Å; L317-G319 PolarHBondContact O-N 3Å; G319-H323 WeakPolarHBondContact O-CB 3.39Å; G319-H323 PolarHBondContact O-N 3.28Å
320T96.6Very high96.5Very high66 Ų6699.9 Ų99.941%0.40551%0.509SS..Hα-helixtrans-69.4-37.9175.3640000112.9K316 L317 E318 H323 Y324K316-T320 WeakPolarHBondContact O-CG2 3.44Å; K316-T320 PolarHBondContact O-N 2.85Å; L317-T320 PolarHBondContact O-N 3.26Å; L317-T320 PolarHBondContact O-OG1 2.97Å; E318-T320 VanDerWaalsContact C-N 3.32Å; E318-T320 PolarHBondContact O-N 3.45Å; T320-H323 PolarHBondContact O-N 3.19Å; T320-Y324 WeakPolarHBondContact O-CD2 3.33Å; T320-Y324 PolarHBondContact O-N 3.09Å
321V96.8Very high96.5Very high74 Ų74102.6 Ų102.645%0.44852%0.517SS..Hα-helixtrans-63.9-44.4176169.10000110.1L317 E318 H323 Y324 K325L317-V321 WeakPolarHBondContact O-CG2 3.45Å; L317-V321 PolarHBondContact O-N 3.5Å; E318-V321 PolarHBondContact O-N 3.27Å; V321-H323 VanDerWaalsContact C-N 3.34Å; V321-H323 PolarHBondContact O-N 2.96Å; V321-Y324 PolarHBondContact O-N 3.26Å; V321-Y324 VanDerWaalsContact O-N 3.16Å; V321-K325 HydrophobicContact CG1-CD 4.44Å; V321-K325 HydrophobicContact CG1-CG 4.49Å; V321-K325 WeakPolarHBondContact O-CG 3.47Å; V321-K325 PolarHBondContact O-N 3.27Å
322E97.1Very high96.4Very high110 Ų110100.5 Ų100.551%0.51451%0.506SS..Hα-helixtrans-63.5-40.8178.1-166.756.3-150.200111.7E318 Y324 K325 K326E318-E322 WeakPolarHBondContact O-CB 3.41Å; E318-E322 PolarHBondContact O-N 2.94Å; E322-Y324 VanDerWaalsContact C-N 3.34Å; E322-Y324 PolarHBondContact O-N 3.22Å; E322-K325 PolarHBondContact O-N 3.46Å; E322-K325 IonicContact OE2-NZ 3.56Å; E322-K326 PolarHBondContact O-N 3.33Å
323H96.8Very high96.4Very high103 Ų103101.1 Ų101.148%0.47751%0.508SS..Hα-helixtrans-60.2-41.9172.3-177.966.2000112.7G319 T320 V321 K327G319-H323 WeakPolarHBondContact O-CB 3.39Å; G319-H323 PolarHBondContact O-N 3.28Å; T320-H323 PolarHBondContact O-N 3.19Å; V321-H323 VanDerWaalsContact C-N 3.34Å; V321-H323 PolarHBondContact O-N 2.96Å; H323-K327 WeakPolarHBondContact NE2-CE 3.46Å; H323-K327 PolarHBondContact O-N 2.93Å; H323-K327 VanDerWaalsContact O-N 3.08Å
324Y96.1Very high96.3Very high152 Ų15298.4 Ų98.460%0.59650%0.5SS*.Hα-helixtrans-69.9-36.8176.6-74.4-52.5000113.1T320 V321 E322 K327 L328T320-Y324 WeakPolarHBondContact O-CD2 3.33Å; T320-Y324 PolarHBondContact O-N 3.09Å; V321-Y324 PolarHBondContact O-N 3.26Å; V321-Y324 VanDerWaalsContact O-N 3.16Å; E322-Y324 VanDerWaalsContact C-N 3.34Å; E322-Y324 PolarHBondContact O-N 3.22Å; Y324-K327 HydrophobicContact CD1-CD 4.4Å; Y324-K327 PolarHBondContact O-N 2.89Å; Y324-L328 WeakPolarHBondContact O-CB 3.45Å; Y324-L328 PolarHBondContact O-N 3.03Å
325K97.3Very high96.3Very high113 Ų113103.8 Ų103.849%0.49151%0.512SS..Hα-helixtrans-59-48.9172.3-76.9179.2-178.7173.40111V321 E322 K327 L328 E329V321-K325 HydrophobicContact CG1-CD 4.44Å; V321-K325 HydrophobicContact CG1-CG 4.49Å; V321-K325 WeakPolarHBondContact O-CG 3.47Å; V321-K325 PolarHBondContact O-N 3.27Å; E322-K325 PolarHBondContact O-N 3.46Å; E322-K325 IonicContact OE2-NZ 3.56Å; K325-K327 VanDerWaalsContact C-N 3.34Å; K325-K327 PolarHBondContact O-N 2.86Å; K325-L328 WeakPolarHBondContact O-CA 3.45Å; K325-L328 VanDerWaalsContact O-CB 3.31Å; K325-L328 WeakPolarHBondContact O-CB 3.25Å; K325-L328 PolarHBondContact O-N 2.91Å; K325-E329 WeakPolarHBondContact O-CG 3.34Å; K325-E329 PolarHBondContact O-N 2.89Å
326K97.1Very high96.3Very high128 Ų128108.3 Ų108.356%0.55752%0.52SS*.Hα-helixtrans-58.3-44.1176.8-174.1168.9-177.6170.80112.4E322 L328 E329 D330E322-K326 PolarHBondContact O-N 3.33Å; K326-L328 VanDerWaalsContact C-N 3.27Å; K326-L328 PolarHBondContact O-N 3.47Å; K326-E329 PolarHBondContact O-N 3.44Å; K326-D330 PolarHBondContact O-N 3.43Å
327K96.3Very high96.3Very high106 Ų106106.3 Ų106.346%0.46151%0.513SS..Hα-helixtrans-59.9-36.9173.2-79-176.3171.4-178.90113H323 Y324 K325 M331H323-K327 WeakPolarHBondContact NE2-CE 3.46Å; H323-K327 PolarHBondContact O-N 2.93Å; H323-K327 VanDerWaalsContact O-N 3.08Å; Y324-K327 HydrophobicContact CD1-CD 4.4Å; Y324-K327 PolarHBondContact O-N 2.89Å; K325-K327 VanDerWaalsContact C-N 3.34Å; K325-K327 PolarHBondContact O-N 2.86Å; K327-M331 WeakPolarHBondContact O-CB 3.36Å; K327-M331 WeakPolarHBondContact O-CG 3.46Å; K327-M331 PolarHBondContact O-N 3.32Å
328L94.9Very high96.3Very high134 Ų134106 Ų10670%0.70251%0.511SS*.Hα-helixtrans-69.6-40.1178.2-158.7107.9000111.4Y324 K325 K326 M331 G332Y324-L328 WeakPolarHBondContact O-CB 3.45Å; Y324-L328 PolarHBondContact O-N 3.03Å; K325-L328 WeakPolarHBondContact O-CA 3.45Å; K325-L328 VanDerWaalsContact O-CB 3.31Å; K325-L328 WeakPolarHBondContact O-CB 3.25Å; K325-L328 PolarHBondContact O-N 2.91Å; K326-L328 VanDerWaalsContact C-N 3.27Å; K326-L328 PolarHBondContact O-N 3.47Å; L328-M331 PolarHBondContact O-N 3.26Å; L328-G332 PolarHBondContact O-N 3.08Å
329E95.9Very high96.4Very high126 Ų126106.2 Ų106.259%0.58951%0.51SS*.Hα-helixtrans-61.6-45.8173.1-70.2175.9179.800111.6K325 K326 M331 G332 L333K325-E329 WeakPolarHBondContact O-CG 3.34Å; K325-E329 PolarHBondContact O-N 2.89Å; K326-E329 PolarHBondContact O-N 3.44Å; E329-M331 VanDerWaalsContact C-N 3.34Å; E329-M331 PolarHBondContact O-N 3.44Å; E329-G332 CarbonylContact O-C 3.59Å; E329-G332 WeakPolarHBondContact O-CA 3.3Å; E329-G332 PolarHBondContact O-N 3.37Å; E329-L333 PolarHBondContact O-N 3.01Å
330D96.1Very high96.4Very high78 Ų78108.7 Ų108.742%0.41751%0.513SS..Hα-helixtrans-59.6-43.3175-72.1-21.3000111.4K326 G332 L333 L334K326-D330 PolarHBondContact O-N 3.43Å; D330-G332 VanDerWaalsContact C-N 3.29Å; D330-G332 PolarHBondContact O-N 3.16Å; D330-L333 WeakPolarHBondContact O-CB 3.17Å; D330-L333 PolarHBondContact O-N 2.88Å; D330-L334 WeakPolarHBondContact O-CG 3.49Å; D330-L334 PolarHBondContact O-N 2.79Å
331M94.7Very high96.4Very high114 Ų114110.4 Ų110.456%0.56252%0.519SS*.Hα-helixtrans-61.9-37.4172.5-79-70.6168.300112.1K327 L328 E329 L334 R335K327-M331 WeakPolarHBondContact O-CB 3.36Å; K327-M331 WeakPolarHBondContact O-CG 3.46Å; K327-M331 PolarHBondContact O-N 3.32Å; L328-M331 PolarHBondContact O-N 3.26Å; E329-M331 VanDerWaalsContact C-N 3.34Å; E329-M331 PolarHBondContact O-N 3.44Å; M331-L334 PolarHBondContact O-N 2.92Å; M331-L334 HydrophobicContact SD-CD1 4.4Å; M331-R335 WeakPolarHBondContact O-CG 3.27Å; M331-R335 PolarHBondContact O-N 2.82Å
332G95.4Very high96.4Very high22 Ų22112.4 Ų112.423%0.22752%0.523CS..Hα-helixtrans-62.4-43.1172.800000112.5L328 E329 D330 R335 R336L328-G332 PolarHBondContact O-N 3.08Å; E329-G332 CarbonylContact O-C 3.59Å; E329-G332 WeakPolarHBondContact O-CA 3.3Å; E329-G332 PolarHBondContact O-N 3.37Å; D330-G332 VanDerWaalsContact C-N 3.29Å; D330-G332 PolarHBondContact O-N 3.16Å; G332-R335 PolarHBondContact O-N 3.4Å; G332-R336 WeakPolarHBondContact O-CG 3.38Å; G332-R336 PolarHBondContact O-N 2.9Å; G332-R336 VanDerWaalsContact O-N 3.1Å
333L96.1Very high96.3Very high100 Ų100111.5 Ų111.552%0.52452%0.519SS..Hα-helixtrans-63.2-46.2175-69.3170.1000111.7E329 D330 R335 R336 Q337E329-L333 PolarHBondContact O-N 3.01Å; D330-L333 WeakPolarHBondContact O-CB 3.17Å; D330-L333 PolarHBondContact O-N 2.88Å; L333-R335 VanDerWaalsContact C-N 3.35Å; L333-R335 PolarHBondContact O-N 3.43Å; L333-R336 PolarHBondContact O-N 2.83Å; L333-Q337 PolarHBondContact O-N 3.41Å
334L96.1Very high96.4Very high86 Ų86113 Ų11345%0.4552%0.524SS..Hα-helixtrans-60.4-42.6176.4-72.5171.4000111.9D330 M331 R336 Q337 I338D330-L334 WeakPolarHBondContact O-CG 3.49Å; D330-L334 PolarHBondContact O-N 2.79Å; M331-L334 PolarHBondContact O-N 2.92Å; M331-L334 HydrophobicContact SD-CD1 4.4Å; L334-R336 PolarHBondContact O-N 3.39Å; L334-Q337 WeakPolarHBondContact O-CB 3.45Å; L334-Q337 PolarHBondContact O-N 2.8Å; L334-I338 WeakPolarHBondContact O-CG1 3.39Å; L334-I338 PolarHBondContact O-N 3.18Å
335R96.4Very high96.4Very high187 Ų187111 Ų11171%0.70652%0.524SS*.Hα-helixtrans-60.6-42.1174.9-75.9177.7-170.8-88.82.2112.3M331 G332 L333 Q337 I338 K339M331-R335 WeakPolarHBondContact O-CG 3.27Å; M331-R335 PolarHBondContact O-N 2.82Å; G332-R335 PolarHBondContact O-N 3.4Å; L333-R335 VanDerWaalsContact C-N 3.35Å; L333-R335 PolarHBondContact O-N 3.43Å; R335-Q337 VanDerWaalsContact C-N 3.34Å; R335-I338 PolarHBondContact O-N 2.88Å; R335-K339 PolarHBondContact O-N 3.09Å
336R96.8Very high96.3Very high160 Ų160109 Ų10960%0.60452%0.521SS*.Hα-helixtrans-64.5-39.7174.7-67.9-175.8-157.5104.6-3.4111.6G332 L333 L334 K339 L340G332-R336 WeakPolarHBondContact O-CG 3.38Å; G332-R336 PolarHBondContact O-N 2.9Å; G332-R336 VanDerWaalsContact O-N 3.1Å; L333-R336 PolarHBondContact O-N 2.83Å; L334-R336 PolarHBondContact O-N 3.39Å; R336-K339 PolarHBondContact O-N 2.97Å; R336-L340 WeakPolarHBondContact O-CG 3.47Å; R336-L340 PolarHBondContact O-N 3.22Å
337Q97.2Very high96.4Very high112 Ų112106.8 Ų106.852%0.52352%0.518SS..Hα-helixtrans-63.7-42.8176.4-172.317819.900111.9L333 L334 R335 L340 L341L333-Q337 PolarHBondContact O-N 3.41Å; L334-Q337 WeakPolarHBondContact O-CB 3.45Å; L334-Q337 PolarHBondContact O-N 2.8Å; R335-Q337 VanDerWaalsContact C-N 3.34Å; Q337-L340 PolarHBondContact O-N 2.89Å; Q337-L341 HydrophobicContact CG-CD1 4.41Å; Q337-L341 WeakPolarHBondContact O-CG 3.45Å; Q337-L341 PolarHBondContact O-N 3.35Å
338I96.7Very high96.4Very high91 Ų91107.1 Ų107.147%0.46752%0.524SS..Hα-helixtrans-59.4-49.2174.6-70.6167.2000110L334 R335 L340 L341 E342L334-I338 WeakPolarHBondContact O-CG1 3.39Å; L334-I338 PolarHBondContact O-N 3.18Å; R335-I338 PolarHBondContact O-N 2.88Å; I338-L340 VanDerWaalsContact C-N 3.33Å; I338-L340 PolarHBondContact O-N 2.93Å; I338-L341 WeakPolarHBondContact O-CB 3.28Å; I338-L341 PolarHBondContact O-N 2.9Å; I338-E342 HydrophobicContact CG2-CG 4.28Å; I338-E342 WeakPolarHBondContact O-CG 3.48Å; I338-E342 PolarHBondContact O-N 2.84Å
339K97.4Very high96.5Very high125 Ų125106.8 Ų106.854%0.54352%0.521SS..Hα-helixtrans-59-42.5178.6-169.6179.8178.6-173.40112.6R335 R336 L341 E342 E343R335-K339 PolarHBondContact O-N 3.09Å; R336-K339 PolarHBondContact O-N 2.97Å; K339-L341 VanDerWaalsContact C-N 3.33Å; K339-L341 PolarHBondContact O-N 3.28Å; K339-E342 PolarHBondContact O-N 2.92Å; K339-E343 VanDerWaalsContact CE-OE1 3.25Å; K339-E343 WeakPolarHBondContact CE-OE1 3.43Å; K339-E343 WeakPolarHBondContact O-CB 3.41Å; K339-E343 WeakPolarHBondContact O-CG 3.34Å; K339-E343 PolarHBondContact O-N 3.25Å
340L96.8Very high96.5Very high96 Ų96107.2 Ų107.250%0.50352%0.523SS..Hα-helixtrans-63.5-37.4175.2-78.8167.7000112.7R336 Q337 I338 K344R336-L340 WeakPolarHBondContact O-CG 3.47Å; R336-L340 PolarHBondContact O-N 3.22Å; Q337-L340 PolarHBondContact O-N 2.89Å; I338-L340 VanDerWaalsContact C-N 3.33Å; I338-L340 PolarHBondContact O-N 2.93Å; L340-K344 WeakPolarHBondContact O-CB 3.41Å; L340-K344 VanDerWaalsContact O-CG 3.3Å; L340-K344 WeakPolarHBondContact O-CG 3.18Å; L340-K344 PolarHBondContact O-N 3.24Å
341L96.4Very high96.5Very high102 Ų102106.7 Ų106.753%0.53452%0.522SS..Hα-helixtrans-70.2-39.5175.6-73.5172.5000111.6Q337 I338 K339 K344 N345Q337-L341 HydrophobicContact CG-CD1 4.41Å; Q337-L341 WeakPolarHBondContact O-CG 3.45Å; Q337-L341 PolarHBondContact O-N 3.35Å; I338-L341 WeakPolarHBondContact O-CB 3.28Å; I338-L341 PolarHBondContact O-N 2.9Å; K339-L341 VanDerWaalsContact C-N 3.33Å; K339-L341 PolarHBondContact O-N 3.28Å; L341-K344 PolarHBondContact O-N 3.33Å; L341-N345 WeakPolarHBondContact O-CB 3.27Å; L341-N345 PolarHBondContact O-N 3.4Å
342E96.1Very high96.5Very high116 Ų116105.6 Ų105.654%0.54252%0.519SS..Hα-helixtrans-61.3-47.8173.6-72.1172.1166.600111.2I338 K339 K344 N345 T346I338-E342 HydrophobicContact CG2-CG 4.28Å; I338-E342 WeakPolarHBondContact O-CG 3.48Å; I338-E342 PolarHBondContact O-N 2.84Å; K339-E342 PolarHBondContact O-N 2.92Å; E342-K344 PolarHBondContact O-N 2.89Å; E342-N345 WeakPolarHBondContact O-CB 3.31Å; E342-N345 PolarHBondContact O-N 2.95Å; E342-N345 VanDerWaalsContact O-N 3.11Å; E342-T346 WeakPolarHBondContact O-CG2 3.45Å; E342-T346 PolarHBondContact O-N 3.37Å; E342-T346 PolarHBondContact O-OG1 3.28Å
343E96.9Very high96.6Very high90 Ų90108.2 Ų108.242%0.42153%0.53SS..Hα-helixtrans-60.5-41.5175.3-74170-172.600112.2K339 N345 T346 V347K339-E343 VanDerWaalsContact CE-OE1 3.25Å; K339-E343 WeakPolarHBondContact CE-OE1 3.43Å; K339-E343 WeakPolarHBondContact O-CB 3.41Å; K339-E343 WeakPolarHBondContact O-CG 3.34Å; K339-E343 PolarHBondContact O-N 3.25Å; E343-N345 VanDerWaalsContact C-N 3.32Å; E343-N345 PolarHBondContact O-N 3.28Å; E343-T346 WeakPolarHBondContact CA-OG1 3.42Å; E343-T346 PolarHBondContact O-N 3.49Å; E343-T346 PolarHBondContact O-OG1 3.25Å; E343-V347 WeakPolarHBondContact O-CG2 3.34Å; E343-V347 PolarHBondContact O-N 2.85Å; E343-V347 VanDerWaalsContact O-N 3.07Å
344K97.3Very high96.6Very high136 Ų136106.3 Ų106.359%0.59153%0.525SS*.Hα-helixtrans-63-40.3173.4-77.4176.5-178.11790111.8L340 L341 E342 V347 L348L340-K344 WeakPolarHBondContact O-CB 3.41Å; L340-K344 VanDerWaalsContact O-CG 3.3Å; L340-K344 WeakPolarHBondContact O-CG 3.18Å; L340-K344 PolarHBondContact O-N 3.24Å; L341-K344 PolarHBondContact O-N 3.33Å; E342-K344 PolarHBondContact O-N 2.89Å; K344-V347 PolarHBondContact O-N 3.39Å; K344-L348 WeakPolarHBondContact O-CB 3.41Å; K344-L348 VanDerWaalsContact O-CG 3.31Å; K344-L348 WeakPolarHBondContact O-CG 3.34Å; K344-L348 PolarHBondContact O-N 3.27Å
345N95.7Very high96.5Very high109 Ų109107.2 Ų107.258%0.58353%0.53SS*.Hα-helixtrans-68.7-39.7-179.6-157.8-8.7000111.5L341 E342 E343 L348 M349L341-N345 WeakPolarHBondContact O-CB 3.27Å; L341-N345 PolarHBondContact O-N 3.4Å; E342-N345 WeakPolarHBondContact O-CB 3.31Å; E342-N345 PolarHBondContact O-N 2.95Å; E342-N345 VanDerWaalsContact O-N 3.11Å; E343-N345 VanDerWaalsContact C-N 3.32Å; E343-N345 PolarHBondContact O-N 3.28Å; N345-L348 PolarHBondContact O-N 2.93Å; N345-M349 WeakPolarHBondContact O-CB 3.38Å; N345-M349 PolarHBondContact O-N 3.36Å
346T97.2Very high96.5Very high72 Ų72103.3 Ų103.344%0.44252%0.52SS..Hα-helixtrans-64.6-41.5175.156.40000111.9E342 E343 M349 Q350E342-T346 WeakPolarHBondContact O-CG2 3.45Å; E342-T346 PolarHBondContact O-N 3.37Å; E342-T346 PolarHBondContact O-OG1 3.28Å; E343-T346 WeakPolarHBondContact CA-OG1 3.42Å; E343-T346 PolarHBondContact O-N 3.49Å; E343-T346 PolarHBondContact O-OG1 3.25Å; T346-M349 PolarHBondContact O-N 2.95Å; T346-Q350 WeakPolarHBondContact O-CG 3.49Å; T346-Q350 PolarHBondContact O-N 3.4Å
347V97.4Very high96.4Very high81 Ų81100.8 Ų100.849%0.49152%0.515SS..Hα-helixtrans-62.2-46.5173.91720000110.9E343 K344 M349 Q350 T351E343-V347 WeakPolarHBondContact O-CG2 3.34Å; E343-V347 PolarHBondContact O-N 2.85Å; E343-V347 VanDerWaalsContact O-N 3.07Å; K344-V347 PolarHBondContact O-N 3.39Å; V347-M349 VanDerWaalsContact C-N 3.29Å; V347-M349 PolarHBondContact O-N 3.08Å; V347-Q350 PolarHBondContact O-N 3.41Å; V347-T351 HydrophobicContact CG1-CG2 4.45Å; V347-T351 WeakPolarHBondContact O-CG2 3.41Å; V347-T351 PolarHBondContact O-N 2.85Å; V347-T351 PolarHBondContact O-OG1 3.29Å
348L96.3Very high96.3Very high112 Ų112101.1 Ų101.159%0.58652%0.516SS*.Hα-helixtrans-58.3-43175.8-74.8171.6000111.5K344 N345 T351 N352K344-L348 WeakPolarHBondContact O-CB 3.41Å; K344-L348 VanDerWaalsContact O-CG 3.31Å; K344-L348 WeakPolarHBondContact O-CG 3.34Å; K344-L348 PolarHBondContact O-N 3.27Å; N345-L348 PolarHBondContact O-N 2.93Å; L348-T351 WeakPolarHBondContact CA-OG1 3.42Å; L348-T351 PolarHBondContact O-N 2.89Å; L348-T351 PolarHBondContact O-OG1 2.89Å; L348-N352 WeakPolarHBondContact O-CB 3.49Å; L348-N352 PolarHBondContact O-N 2.89Å
349M97.1Very high96.2Very high128 Ų128102 Ų10263%0.63152%0.521SS*.Hα-helixtrans-62.5-43.8177-162.4168.385.700112N345 T346 V347 N352 V353N345-M349 WeakPolarHBondContact O-CB 3.38Å; N345-M349 PolarHBondContact O-N 3.36Å; T346-M349 PolarHBondContact O-N 2.95Å; V347-M349 VanDerWaalsContact C-N 3.29Å; V347-M349 PolarHBondContact O-N 3.08Å; M349-N352 PolarHBondContact O-N 3.3Å; M349-V353 WeakPolarHBondContact O-CG2 3.31Å; M349-V353 PolarHBondContact O-N 3.03Å
350Q96.1Very high96.2Very high135 Ų135104.4 Ų104.463%0.63153%0.527SS*.Hα-helixtrans-61.3-43.6174.5-73.3174.6-3.400112.2T346 V347 N352 V353 S354T346-Q350 WeakPolarHBondContact O-CG 3.49Å; T346-Q350 PolarHBondContact O-N 3.4Å; V347-Q350 PolarHBondContact O-N 3.41Å; Q350-N352 VanDerWaalsContact C-N 3.3Å; Q350-N352 PolarHBondContact O-N 3.23Å; Q350-V353 PolarHBondContact O-N 3.49Å; Q350-S354 PolarHBondContact O-N 2.94Å
351T96.7Very high96.1Very high67 Ų67106.6 Ų106.641%0.41153%0.532SS..Hα-helixtrans-63.4-38.1176.559.40000111.9V347 L348 S354 L355V347-T351 HydrophobicContact CG1-CG2 4.45Å; V347-T351 WeakPolarHBondContact O-CG2 3.41Å; V347-T351 PolarHBondContact O-N 2.85Å; V347-T351 PolarHBondContact O-OG1 3.29Å; L348-T351 WeakPolarHBondContact CA-OG1 3.42Å; L348-T351 PolarHBondContact O-N 2.89Å; L348-T351 PolarHBondContact O-OG1 2.89Å; T351-S354 PolarHBondContact O-N 3.18Å; T351-L355 WeakPolarHBondContact O-CB 3.47Å; T351-L355 VanDerWaalsContact O-CG 3.28Å; T351-L355 WeakPolarHBondContact O-CG 3.36Å; T351-L355 PolarHBondContact O-N 2.88Å
352N95Very high96Very high91 Ų91104.4 Ų104.449%0.48753%0.529SS..Hα-helixtrans-66.1-44.9177.8-160.1-1.7000111.3L348 M349 Q350 S354 L355 E356L348-N352 WeakPolarHBondContact O-CB 3.49Å; L348-N352 PolarHBondContact O-N 2.89Å; M349-N352 PolarHBondContact O-N 3.3Å; Q350-N352 VanDerWaalsContact C-N 3.3Å; Q350-N352 PolarHBondContact O-N 3.23Å; N352-S354 VanDerWaalsContact C-N 3.33Å; N352-S354 PolarHBondContact O-N 3.2Å; N352-L355 PolarHBondContact O-N 2.99Å; N352-E356 WeakPolarHBondContact O-CG 3.4Å; N352-E356 PolarHBondContact O-N 3.35Å
353V97Very high96Very high77 Ų77103.1 Ų103.147%0.46753%0.526SS..Hα-helixtrans-59.4-43174.7172.50000111.6M349 Q350 E356 E357M349-V353 WeakPolarHBondContact O-CG2 3.31Å; M349-V353 PolarHBondContact O-N 3.03Å; Q350-V353 PolarHBondContact O-N 3.49Å; V353-E356 PolarHBondContact O-N 2.92Å; V353-E357 PolarHBondContact O-N 3.06Å
354S95.4Very high95.9Very high60 Ų60101.6 Ų101.642%0.4253%0.529SS..Hα-helixtrans-60.6-45.6175.6-175.40000111.9Q350 T351 N352 E356 E357 E358Q350-S354 PolarHBondContact O-N 2.94Å; T351-S354 PolarHBondContact O-N 3.18Å; N352-S354 VanDerWaalsContact C-N 3.33Å; N352-S354 PolarHBondContact O-N 3.2Å; S354-E356 PolarHBondContact O-N 3.33Å; S354-E357 WeakPolarHBondContact O-CB 3.4Å; S354-E357 PolarHBondContact O-N 3.47Å; S354-E358 PolarHBondContact O-N 3.37Å
355L95.4Very high95.7Very high104 Ų10497.6 Ų97.655%0.54552%0.521SS..Hα-helixtrans-64.1-38.1176.7-71.2171.1000112.2T351 N352 E357 E358 L359T351-L355 WeakPolarHBondContact O-CB 3.47Å; T351-L355 VanDerWaalsContact O-CG 3.28Å; T351-L355 WeakPolarHBondContact O-CG 3.36Å; T351-L355 PolarHBondContact O-N 2.88Å; N352-L355 PolarHBondContact O-N 2.99Å; L355-E357 VanDerWaalsContact C-N 3.34Å; L355-E358 PolarHBondContact O-N 3.01Å; L355-L359 WeakPolarHBondContact O-CB 3.45Å; L355-L359 PolarHBondContact O-N 3.35Å
356E95.5Very high95.7Very high106 Ų10698.6 Ų98.650%0.49552%0.52SS..Hα-helixtrans-64.1-37.7173.5-74.8-178176.700112.1N352 V353 S354 L359 R360N352-E356 WeakPolarHBondContact O-CG 3.4Å; N352-E356 PolarHBondContact O-N 3.35Å; V353-E356 PolarHBondContact O-N 2.92Å; S354-E356 PolarHBondContact O-N 3.33Å; E356-L359 PolarHBondContact O-N 2.94Å; E356-R360 WeakPolarHBondContact O-CB 3.46Å; E356-R360 PolarHBondContact O-N 3.43Å
357E95.8Very high95.5Very high107 Ų10797 Ų9750%0.552%0.518SS..Hα-helixtrans-66.4-44.6173-100.1-174.617500112.5V353 S354 L355 L359 R360 K361V353-E357 PolarHBondContact O-N 3.06Å; S354-E357 WeakPolarHBondContact O-CB 3.4Å; S354-E357 PolarHBondContact O-N 3.47Å; L355-E357 VanDerWaalsContact C-N 3.34Å; E357-L359 VanDerWaalsContact C-N 3.31Å; E357-L359 PolarHBondContact O-N 2.92Å; E357-R360 WeakPolarHBondContact O-CB 3.38Å; E357-R360 PolarHBondContact O-N 3.02Å; E357-K361 WeakPolarHBondContact O-CG 3.49Å; E357-K361 PolarHBondContact O-N 2.84Å
358E94.4Very high95.4Very high119 Ų11998.7 Ų98.756%0.55652%0.521SS*.Hα-helixtrans-61-41.4173.9-72.2-161.816600111.6S354 L355 R360 K361 A362S354-E358 PolarHBondContact O-N 3.37Å; L355-E358 PolarHBondContact O-N 3.01Å; E358-R360 VanDerWaalsContact C-N 3.33Å; E358-R360 PolarHBondContact O-N 3.46Å; E358-K361 PolarHBondContact O-N 2.97Å; E358-A362 WeakPolarHBondContact O-CB 3.42Å; E358-A362 PolarHBondContact O-N 3.02Å
359L95.3Very high95.2Very high109 Ų10997.8 Ų97.857%0.57152%0.516SS*.Hα-helixtrans-61.6-41.9174.5-171.575.8000111.3L355 E356 E357 A362 N363L355-L359 WeakPolarHBondContact O-CB 3.45Å; L355-L359 PolarHBondContact O-N 3.35Å; E356-L359 PolarHBondContact O-N 2.94Å; E357-L359 VanDerWaalsContact C-N 3.31Å; E357-L359 PolarHBondContact O-N 2.92Å; L359-A362 PolarHBondContact O-N 2.91Å; L359-N363 WeakPolarHBondContact O-CB 3.44Å; L359-N363 PolarHBondContact O-N 3.26Å; L359-N363 PolarHBondContact O-ND2 3.33Å
360R96.1Very high95.1Very high175 Ų17596.1 Ų96.166%0.6651%0.507SS*.Hα-helixtrans-62.3-43.4176.1-172.6-176-98.3103-6.7111.1E356 E357 E358 N363 A364E356-R360 WeakPolarHBondContact O-CB 3.46Å; E356-R360 PolarHBondContact O-N 3.43Å; E357-R360 WeakPolarHBondContact O-CB 3.38Å; E357-R360 PolarHBondContact O-N 3.02Å; E358-R360 VanDerWaalsContact C-N 3.33Å; E358-R360 PolarHBondContact O-N 3.46Å; R360-N363 PolarHBondContact O-N 3.32Å; R360-A364 PolarHBondContact O-N 2.86Å
361K96Very high95Very high142 Ų14293.1 Ų93.162%0.61750%0.498SS*.Hα-helixtrans-63-46.1174.9-70.7171.4-175.5168.30111.7E357 E358 N363 A364 A365E357-K361 WeakPolarHBondContact O-CG 3.49Å; E357-K361 PolarHBondContact O-N 2.84Å; E358-K361 PolarHBondContact O-N 2.97Å; K361-N363 VanDerWaalsContact C-N 3.32Å; K361-N363 PolarHBondContact O-N 2.84Å; K361-A364 PolarHBondContact O-N 2.97Å; K361-A365 PolarHBondContact O-N 3.33Å
362A94.3Very high94.9Very high56 Ų5696.4 Ų96.446%0.46350%0.504SS..Hα-helixtrans-61.1-40.9177.100000111.9E358 L359 A365 K366E358-A362 WeakPolarHBondContact O-CB 3.42Å; E358-A362 PolarHBondContact O-N 3.02Å; L359-A362 PolarHBondContact O-N 2.91Å; A362-A365 PolarHBondContact O-N 2.85Å; A362-K366 WeakPolarHBondContact O-CB 3.3Å; A362-K366 PolarHBondContact O-N 2.98Å
363N94.8Very high94.9Very high90 Ų9096.9 Ų96.948%0.48150%0.501SS..Hα-helixtrans-65.8-39.2175.1-78.5-34.7000112.5L359 R360 K361 K366 G367L359-N363 WeakPolarHBondContact O-CB 3.44Å; L359-N363 PolarHBondContact O-N 3.26Å; L359-N363 PolarHBondContact O-ND2 3.33Å; R360-N363 PolarHBondContact O-N 3.32Å; K361-N363 VanDerWaalsContact C-N 3.32Å; K361-N363 PolarHBondContact O-N 2.84Å; N363-K366 PolarHBondContact O-N 3.25Å; N363-G367 PolarHBondContact O-N 3.04Å
364A94.9Very high94.8Very high58 Ų58102.4 Ų102.448%0.47951%0.514SS..Hα-helixtrans-63.5-45.5173.800000111.7R360 K361 K366 G367 Q368R360-A364 PolarHBondContact O-N 2.86Å; K361-A364 PolarHBondContact O-N 2.97Å; A364-K366 VanDerWaalsContact C-N 3.32Å; A364-K366 PolarHBondContact O-N 3.31Å; A364-G367 WeakPolarHBondContact O-CA 3.35Å; A364-G367 PolarHBondContact O-N 3.45Å; A364-G367 VanDerWaalsContact O-N 3.12Å; A364-Q368 PolarHBondContact O-N 3.17Å
365A94Very high94.8Very high52 Ų52104.4 Ų104.443%0.4352%0.517SS..Hα-helixtrans-61.6-39.517500000112K361 A362 G367 Q368 L369K361-A365 PolarHBondContact O-N 3.33Å; A362-A365 PolarHBondContact O-N 2.85Å; A365-G367 VanDerWaalsContact C-N 3.34Å; A365-Q368 PolarHBondContact O-N 3.22Å; A365-L369 WeakPolarHBondContact O-CB 3.41Å; A365-L369 PolarHBondContact O-N 3.06Å
366K94.8Very high94.7Very high130 Ų130103.2 Ų103.257%0.56551%0.513SS*.Hα-helixtrans-62.2-41.5172.7-173.4180178.6-178.30111.6A362 N363 A364 L369 E370A362-K366 WeakPolarHBondContact O-CB 3.3Å; A362-K366 PolarHBondContact O-N 2.98Å; N363-K366 PolarHBondContact O-N 3.25Å; A364-K366 VanDerWaalsContact C-N 3.32Å; A364-K366 PolarHBondContact O-N 3.31Å; K366-L369 PolarHBondContact O-N 2.81Å; K366-E370 WeakPolarHBondContact O-CG 3.38Å; K366-E370 PolarHBondContact O-N 3.37Å
367G93.9Very high94.7Very high39 Ų39101.8 Ų101.840%0.40251%0.511SS..Hα-helixtrans-58.3-46.2173.300000112.3N363 A364 A365 E370 T371N363-G367 PolarHBondContact O-N 3.04Å; A364-G367 WeakPolarHBondContact O-CA 3.35Å; A364-G367 PolarHBondContact O-N 3.45Å; A364-G367 VanDerWaalsContact O-N 3.12Å; A365-G367 VanDerWaalsContact C-N 3.34Å; G367-E370 PolarHBondContact O-N 2.9Å; G367-T371 PolarHBondContact O-N 3.1Å
368Q94.2Very high94.6Very high115 Ų115101.1 Ų101.154%0.53751%0.509SS..Hα-helixtrans-61.1-45.1174.4-69.2175.7-10.900111.9A364 A365 E370 T371 Y372A364-Q368 PolarHBondContact O-N 3.17Å; A365-Q368 PolarHBondContact O-N 3.22Å; Q368-E370 VanDerWaalsContact C-N 3.3Å; Q368-E370 PolarHBondContact O-N 2.93Å; Q368-T371 WeakPolarHBondContact CA-OG1 3.47Å; Q368-T371 PolarHBondContact O-N 2.97Å; Q368-T371 VanDerWaalsContact O-N 3.08Å; Q368-T371 PolarHBondContact O-OG1 3.36Å; Q368-Y372 HydrophobicContact CB-CE2 4.43Å; Q368-Y372 WeakPolarHBondContact O-CD2 3.48Å; Q368-Y372 PolarHBondContact O-N 3.39Å
369L93.4Very high94.6Very high94 Ų94100.6 Ų100.649%0.49251%0.509SS..Hα-helixtrans-58.2-41.8176.8-177.266.3000112A365 K366 T371 Y372 K373A365-L369 WeakPolarHBondContact O-CB 3.41Å; A365-L369 PolarHBondContact O-N 3.06Å; K366-L369 PolarHBondContact O-N 2.81Å; L369-T371 VanDerWaalsContact C-N 3.35Å; L369-Y372 PolarHBondContact O-N 3.32Å; L369-K373 WeakPolarHBondContact O-CG 3.45Å; L369-K373 PolarHBondContact O-N 2.92Å
370E94.3Very high94.5Very high92 Ų92101.1 Ų101.143%0.4351%0.508SS..Hα-helixtrans-66.4-35.2175.8-69.5-54.1141.900112.4K366 G367 Q368 K373 R374K366-E370 WeakPolarHBondContact O-CG 3.38Å; K366-E370 PolarHBondContact O-N 3.37Å; G367-E370 PolarHBondContact O-N 2.9Å; Q368-E370 VanDerWaalsContact C-N 3.3Å; Q368-E370 PolarHBondContact O-N 2.93Å; E370-K373 PolarHBondContact O-N 2.94Å; E370-K373 IonicContact OE1-NZ 2.82Å; E370-K373 PolarHBondContact OE1-NZ 3.43Å; E370-R374 PolarHBondContact O-N 3.25Å
371T94.8Very high94.4Very high72 Ų7297 Ų9744%0.44250%0.5SS..Hα-helixtrans-65-42.7171.559.40000112.3G367 Q368 L369 R374 Q375G367-T371 PolarHBondContact O-N 3.1Å; Q368-T371 WeakPolarHBondContact CA-OG1 3.47Å; Q368-T371 PolarHBondContact O-N 2.97Å; Q368-T371 VanDerWaalsContact O-N 3.08Å; Q368-T371 PolarHBondContact O-OG1 3.36Å; L369-T371 VanDerWaalsContact C-N 3.35Å; T371-R374 PolarHBondContact O-N 3.47Å; T371-Q375 WeakPolarHBondContact O-CG 3.46Å; T371-Q375 PolarHBondContact O-N 3.48Å
372Y93.8Very high94.3Very high137 Ų13796.8 Ų96.854%0.53750%0.495SS..Hα-helixtrans-64.8-41.8175.6-70.3-47.9000112Q368 L369 R374 Q375 V376Q368-Y372 HydrophobicContact CB-CE2 4.43Å; Q368-Y372 WeakPolarHBondContact O-CD2 3.48Å; Q368-Y372 PolarHBondContact O-N 3.39Å; L369-Y372 PolarHBondContact O-N 3.32Å; Y372-R374 VanDerWaalsContact C-N 3.3Å; Y372-R374 PolarHBondContact O-N 3.02Å; Y372-Q375 PolarHBondContact O-N 3.01Å; Y372-V376 VanDerWaalsContact O-CG2 3.32Å; Y372-V376 WeakPolarHBondContact O-CG2 3.5Å; Y372-V376 PolarHBondContact O-N 3.42Å
373K94.8Very high94.2Very high101 Ų101100.1 Ų100.144%0.43950%0.504SS..Hα-helixtrans-57.3-44.2172.7-76.2177.9-174.8170.10111.6L369 E370 V376 V377L369-K373 WeakPolarHBondContact O-CG 3.45Å; L369-K373 PolarHBondContact O-N 2.92Å; E370-K373 PolarHBondContact O-N 2.94Å; E370-K373 IonicContact OE1-NZ 2.82Å; E370-K373 PolarHBondContact OE1-NZ 3.43Å; K373-V376 PolarHBondContact O-N 2.69Å; K373-V377 WeakPolarHBondContact O-CG2 3.4Å; K373-V377 PolarHBondContact O-N 3.45Å
374R94.9Very high94.1Very high193 Ų19398 Ų9873%0.72850%0.496SS*.Hα-helixtrans-62.6-42.9176.5-173.7179-82.7161.4-6.1111.7E370 T371 Y372 V377 E378E370-R374 PolarHBondContact O-N 3.25Å; T371-R374 PolarHBondContact O-N 3.47Å; Y372-R374 VanDerWaalsContact C-N 3.3Å; Y372-R374 PolarHBondContact O-N 3.02Å; R374-V377 PolarHBondContact O-N 3.42Å; R374-E378 PolarHBondContact O-N 3.23Å
375Q94.8Very high94Very high102 Ų102101.1 Ų101.148%0.47750%0.501SS..Hα-helixtrans-62.2-41.9174.9-72.7176.91.600112.2T371 Y372 V377 E378 L379T371-Q375 WeakPolarHBondContact O-CG 3.46Å; T371-Q375 PolarHBondContact O-N 3.48Å; Y372-Q375 PolarHBondContact O-N 3.01Å; Q375-V377 VanDerWaalsContact C-N 3.35Å; Q375-V377 PolarHBondContact O-N 3.32Å; Q375-E378 PolarHBondContact O-N 3.11Å; Q375-L379 WeakPolarHBondContact O-CB 3.33Å; Q375-L379 WeakPolarHBondContact O-CG 3.43Å; Q375-L379 PolarHBondContact O-N 2.99Å
376V93.9Very high93.8Very high78 Ų78103.9 Ų103.947%0.47351%0.505SS..Hα-helixtrans-60.7-44.7176169.50000110.8Y372 K373 L379 Q380Y372-V376 VanDerWaalsContact O-CG2 3.32Å; Y372-V376 WeakPolarHBondContact O-CG2 3.5Å; Y372-V376 PolarHBondContact O-N 3.42Å; K373-V376 PolarHBondContact O-N 2.69Å; V376-L379 PolarHBondContact O-N 3.44Å; V376-Q380 WeakPolarHBondContact O-CB 3.44Å; V376-Q380 WeakPolarHBondContact O-CG 3.38Å; V376-Q380 PolarHBondContact O-N 2.94Å
377V95.1Very high93.7Very high76 Ų76100.7 Ų100.746%0.46150%0.499SS..Hα-helixtrans-63-42.5175.9172.30000111.2K373 R374 Q375 Q380 N381K373-V377 WeakPolarHBondContact O-CG2 3.4Å; K373-V377 PolarHBondContact O-N 3.45Å; R374-V377 PolarHBondContact O-N 3.42Å; Q375-V377 VanDerWaalsContact C-N 3.35Å; Q375-V377 PolarHBondContact O-N 3.32Å; V377-Q380 PolarHBondContact O-N 3.38Å; V377-N381 VanDerWaalsContact O-CG 3.3Å; V377-N381 PolarHBondContact O-N 3.33Å; V377-N381 PolarHBondContact O-ND2 3.07Å
378E94.3Very high93.7Very high94 Ų94105 Ų10544%0.43951%0.507SS..Hα-helixtrans-63.9-43.1177.2-166.7-177.1161.600111.9R374 Q375 N381 R382R374-E378 PolarHBondContact O-N 3.23Å; Q375-E378 PolarHBondContact O-N 3.11Å; E378-N381 PolarHBondContact O-N 3.42Å; E378-R382 WeakPolarHBondContact O-CG 2.97Å; E378-R382 PolarHBondContact O-N 3.19Å; E378-R382 IonicContact OE1-CZ 3.63Å; E378-R382 IonicContact OE1-NE 3.67Å; E378-R382 IonicContact OE1-NH2 3.39Å; E378-R382 PolarHBondContact OE1-NH2 3.06Å
379L93.5Very high93.7Very high108 Ų108104.6 Ų104.657%0.56550%0.503SS*.Hα-helixtrans-64.4-40.1174.5-73.2173.6000112Q375 V376 N381 R382 L383Q375-L379 WeakPolarHBondContact O-CB 3.33Å; Q375-L379 WeakPolarHBondContact O-CG 3.43Å; Q375-L379 PolarHBondContact O-N 2.99Å; V376-L379 PolarHBondContact O-N 3.44Å; L379-N381 VanDerWaalsContact C-N 3.34Å; L379-R382 PolarHBondContact O-N 3.32Å; L379-L383 VanDerWaalsContact O-CB 3.3Å; L379-L383 WeakPolarHBondContact O-CB 3.32Å; L379-L383 PolarHBondContact O-N 2.73Å
380Q93.8Very high93.5Very high119 Ų119102.8 Ų102.856%0.55650%0.502SS*.Hα-helixtrans-62.1-41.2172.9-84.3173.6-36.900111.7V376 V377 L383 S384V376-Q380 WeakPolarHBondContact O-CB 3.44Å; V376-Q380 WeakPolarHBondContact O-CG 3.38Å; V376-Q380 PolarHBondContact O-N 2.94Å; V377-Q380 PolarHBondContact O-N 3.38Å; Q380-L383 PolarHBondContact O-N 3.12Å; Q380-S384 WeakPolarHBondContact O-CB 3.3Å; Q380-S384 PolarHBondContact O-N 2.9Å
381N94.3Very high93.4Very high89 Ų89102.8 Ų102.848%0.47651%0.505SS..Hα-helixtrans-63.2-47.8175.1-73.1-21.4000111.1V377 E378 L379 L383 S384 E385V377-N381 VanDerWaalsContact O-CG 3.3Å; V377-N381 PolarHBondContact O-N 3.33Å; V377-N381 PolarHBondContact O-ND2 3.07Å; E378-N381 PolarHBondContact O-N 3.42Å; L379-N381 VanDerWaalsContact C-N 3.34Å; N381-L383 VanDerWaalsContact C-N 3.34Å; N381-L383 PolarHBondContact O-N 2.92Å; N381-S384 WeakPolarHBondContact O-CB 3.47Å; N381-S384 PolarHBondContact O-N 3.44Å; N381-S384 VanDerWaalsContact O-N 3.11Å; N381-S384 PolarHBondContact O-OG 2.92Å; N381-E385 WeakPolarHBondContact O-CG 3.36Å; N381-E385 PolarHBondContact O-N 3.42Å
382R94Very high93.3Very high138 Ų138106.2 Ų106.252%0.52151%0.514SS..Hα-helixtrans-59.3-43.3175.3-72.7-177.4-170.4-175.44.9112.2E378 L379 S384 E385 E386E378-R382 WeakPolarHBondContact O-CG 2.97Å; E378-R382 PolarHBondContact O-N 3.19Å; E378-R382 IonicContact OE1-CZ 3.63Å; E378-R382 IonicContact OE1-NE 3.67Å; E378-R382 IonicContact OE1-NH2 3.39Å; E378-R382 PolarHBondContact OE1-NH2 3.06Å; L379-R382 PolarHBondContact O-N 3.32Å; R382-S384 VanDerWaalsContact C-N 3.3Å; R382-S384 PolarHBondContact O-N 2.87Å; R382-E385 PolarHBondContact O-N 3.39Å; R382-E386 PolarHBondContact O-N 2.95Å
383L91.4Very high93.1Very high125 Ų125105 Ų10565%0.65451%0.514SS*.Hα-helixtrans-60.6-42.3175-178.465.9000110.8L379 Q380 N381 E385 E386 S387L379-L383 VanDerWaalsContact O-CB 3.3Å; L379-L383 WeakPolarHBondContact O-CB 3.32Å; L379-L383 PolarHBondContact O-N 2.73Å; Q380-L383 PolarHBondContact O-N 3.12Å; N381-L383 VanDerWaalsContact C-N 3.34Å; N381-L383 PolarHBondContact O-N 2.92Å; L383-E385 VanDerWaalsContact C-N 3.31Å; L383-E385 PolarHBondContact O-N 3.09Å; L383-E386 PolarHBondContact O-N 3.26Å; L383-S387 VanDerWaalsContact O-CB 3.28Å; L383-S387 WeakPolarHBondContact O-CB 3.41Å; L383-S387 PolarHBondContact O-N 2.86Å
384S93.4Very high93Very high46 Ų46104.8 Ų104.832%0.32252%0.515SS..Hα-helixtrans-64.4-35.4175.989.10000112.5Q380 N381 R382 K388Q380-S384 WeakPolarHBondContact O-CB 3.3Å; Q380-S384 PolarHBondContact O-N 2.9Å; N381-S384 WeakPolarHBondContact O-CB 3.47Å; N381-S384 PolarHBondContact O-N 3.44Å; N381-S384 VanDerWaalsContact O-N 3.11Å; N381-S384 PolarHBondContact O-OG 2.92Å; R382-S384 VanDerWaalsContact C-N 3.3Å; R382-S384 PolarHBondContact O-N 2.87Å; S384-K388 WeakPolarHBondContact O-CB 3.41Å; S384-K388 VanDerWaalsContact O-CG 3.25Å; S384-K388 WeakPolarHBondContact O-CG 3.35Å; S384-K388 PolarHBondContact O-N 3.29Å
385E93.8Very high92.9Very high123 Ų123102.2 Ų102.258%0.57551%0.509SS*.Hα-helixtrans-70.5-46177.4-74176.317400111.7N381 R382 L383 S387 K388 K389N381-E385 WeakPolarHBondContact O-CG 3.36Å; N381-E385 PolarHBondContact O-N 3.42Å; R382-E385 PolarHBondContact O-N 3.39Å; L383-E385 VanDerWaalsContact C-N 3.31Å; L383-E385 PolarHBondContact O-N 3.09Å; E385-S387 VanDerWaalsContact C-N 3.34Å; E385-K388 PolarHBondContact O-N 3.33Å; E385-K389 WeakPolarHBondContact O-CB 3.22Å; E385-K389 PolarHBondContact O-N 2.93Å
386E89.1Confident92.8Very high111 Ų111102.1 Ų102.152%0.51951%0.508SS..Hα-helixtrans-65.6-36.6174.4-75.2-59.1142.400111.6R382 L383 K389 A390R382-E386 PolarHBondContact O-N 2.95Å; L383-E386 PolarHBondContact O-N 3.26Å; E386-K389 PolarHBondContact O-N 3.42Å; E386-K389 IonicContact OE1-NZ 2.89Å; E386-K389 PolarHBondContact OE1-NZ 2.96Å; E386-K389 IonicContact OE2-NZ 3.46Å; E386-A390 WeakPolarHBondContact O-CB 3.48Å; E386-A390 PolarHBondContact O-N 3.14Å
387S92.3Very high92.6Very high62 Ų62105.7 Ų105.743%0.43451%0.514SS..Hα-helixtrans-59.3-50.2170.7-172.10000111.1L383 E385 K389 A390 D391L383-S387 VanDerWaalsContact O-CB 3.28Å; L383-S387 WeakPolarHBondContact O-CB 3.41Å; L383-S387 PolarHBondContact O-N 2.86Å; E385-S387 VanDerWaalsContact C-N 3.34Å; S387-K389 PolarHBondContact O-N 2.89Å; S387-A390 WeakPolarHBondContact O-CB 3.37Å; S387-A390 PolarHBondContact O-N 3.15Å; S387-D391 PolarHBondContact O-N 2.91Å
388K93.9Very high92.6Very high129 Ų129107 Ų10756%0.56151%0.514SS*.Hα-helixtrans-60.2-34.2176.8-75.2168.6-175.81690112.5S384 E385 K392S384-K388 WeakPolarHBondContact O-CB 3.41Å; S384-K388 VanDerWaalsContact O-CG 3.25Å; S384-K388 WeakPolarHBondContact O-CG 3.35Å; S384-K388 PolarHBondContact O-N 3.29Å; E385-K388 PolarHBondContact O-N 3.33Å; K388-K392 VanDerWaalsContact O-CG 3.3Å; K388-K392 WeakPolarHBondContact O-CG 3.45Å; K388-K392 PolarHBondContact O-N 2.92Å; K388-K392 VanDerWaalsContact O-N 3.08Å
389K93.5Very high92.5Very high108 Ų108109.4 Ų109.447%0.4752%0.519SS..Hα-helixtrans-72.7-41.1177.3-174.5-178.3170.5-164.40111.3E385 E386 S387 D391 K392 M393E385-K389 WeakPolarHBondContact O-CB 3.22Å; E385-K389 PolarHBondContact O-N 2.93Å; E386-K389 PolarHBondContact O-N 3.42Å; E386-K389 IonicContact OE1-NZ 2.89Å; E386-K389 PolarHBondContact OE1-NZ 2.96Å; E386-K389 IonicContact OE2-NZ 3.46Å; S387-K389 PolarHBondContact O-N 2.89Å; K389-D391 VanDerWaalsContact C-N 3.35Å; K389-K392 PolarHBondContact O-N 2.88Å; K389-M393 WeakPolarHBondContact O-CG 3.24Å; K389-M393 PolarHBondContact O-N 3.38Å
390A89.4Confident92.5Very high56 Ų56109.2 Ų109.246%0.46352%0.518SS..Hα-helixtrans-59.3-46.5171.900000110.7E386 S387 K392 M393 E394E386-A390 WeakPolarHBondContact O-CB 3.48Å; E386-A390 PolarHBondContact O-N 3.14Å; S387-A390 WeakPolarHBondContact O-CB 3.37Å; S387-A390 PolarHBondContact O-N 3.15Å; A390-K392 VanDerWaalsContact C-N 3.33Å; A390-K392 PolarHBondContact O-N 3.26Å; A390-M393 PolarHBondContact O-N 2.94Å; A390-M393 VanDerWaalsContact O-N 3.17Å; A390-E394 WeakPolarHBondContact O-CB 3.46Å; A390-E394 PolarHBondContact O-N 3.33Å
391D92.7Very high92.4Very high91 Ų91108.7 Ų108.749%0.48751%0.514SS..Hα-helixtrans-59.3-42.1176.4-63.5-26.5000112S387 K389 E394 F395S387-D391 PolarHBondContact O-N 2.91Å; K389-D391 VanDerWaalsContact C-N 3.35Å; D391-E394 PolarHBondContact O-N 3.46Å; D391-F395 WeakPolarHBondContact O-CB 3.44Å; D391-F395 PolarHBondContact O-N 3.39Å
392K93.6Very high92.4Very high145 Ų145110.7 Ų110.763%0.6352%0.521SS*.Hα-helixtrans-61.9-46.6174.8-76.9173.8-177.5-179.10112K388 K389 A390 E394 F395 E396K388-K392 VanDerWaalsContact O-CG 3.3Å; K388-K392 WeakPolarHBondContact O-CG 3.45Å; K388-K392 PolarHBondContact O-N 2.92Å; K388-K392 VanDerWaalsContact O-N 3.08Å; K389-K392 PolarHBondContact O-N 2.88Å; A390-K392 VanDerWaalsContact C-N 3.33Å; A390-K392 PolarHBondContact O-N 3.26Å; K392-E394 VanDerWaalsContact C-N 3.32Å; K392-E394 PolarHBondContact O-N 2.98Å; K392-F395 PolarHBondContact O-N 3.44Å; K392-E396 WeakPolarHBondContact O-CG 3.39Å; K392-E396 PolarHBondContact O-N 3.08Å
393M89.3Confident92.4Very high112 Ų112110.5 Ų110.555%0.55252%0.524SS*.Hα-helixtrans-64.9-37.5177.8-70-60.7-136.300111.6K389 A390 E396 Y397K389-M393 WeakPolarHBondContact O-CG 3.24Å; K389-M393 PolarHBondContact O-N 3.38Å; A390-M393 PolarHBondContact O-N 2.94Å; A390-M393 VanDerWaalsContact O-N 3.17Å; M393-E396 PolarHBondContact O-N 2.89Å; M393-Y397 VanDerWaalsContact O-CB 3.25Å; M393-Y397 WeakPolarHBondContact O-CB 3.36Å; M393-Y397 PolarHBondContact O-N 3.4Å
394E92.6Very high92.4Very high95 Ų95108.6 Ų108.644%0.44452%0.517SS..Hα-helixtrans-64.1-42174.7-165.6-169.315300111.3A390 D391 K392 Y397 K398A390-E394 WeakPolarHBondContact O-CB 3.46Å; A390-E394 PolarHBondContact O-N 3.33Å; D391-E394 PolarHBondContact O-N 3.46Å; K392-E394 VanDerWaalsContact C-N 3.32Å; K392-E394 PolarHBondContact O-N 2.98Å; E394-Y397 PolarHBondContact O-N 2.95Å; E394-K398 WeakPolarHBondContact O-CB 3.41Å; E394-K398 WeakPolarHBondContact O-CG 3.4Å; E394-K398 PolarHBondContact O-N 3.13Å; E394-K398 WeakPolarHBondContact OE1-CE 3.4Å; E394-K398 IonicContact OE1-NZ 2.68Å; E394-K398 PolarHBondContact OE1-NZ 2.87Å
395F92.5Very high92.4Very high140 Ų140110.1 Ų110.161%0.61452%0.521SS*.Hα-helixtrans-63.3-46.1174.6-179.4-96.3000112.1D391 K392 Y397 K398 R399D391-F395 WeakPolarHBondContact O-CB 3.44Å; D391-F395 PolarHBondContact O-N 3.39Å; K392-F395 PolarHBondContact O-N 3.44Å; F395-Y397 VanDerWaalsContact C-N 3.33Å; F395-Y397 PolarHBondContact O-N 3.34Å; F395-K398 PolarHBondContact O-N 3.03Å; F395-R399 WeakPolarHBondContact O-CB 3.45Å; F395-R399 PolarHBondContact O-N 3.46Å
396E92.8Very high92.4Very high99 Ų99107.2 Ų107.246%0.46352%0.515SS..Hα-helixtrans-61.7-41.9175.8-74.7-175.3179.800111.9K392 M393 R399 L400K392-E396 WeakPolarHBondContact O-CG 3.39Å; K392-E396 PolarHBondContact O-N 3.08Å; M393-E396 PolarHBondContact O-N 2.89Å; E396-R399 PolarHBondContact O-N 3.33Å; E396-L400 WeakPolarHBondContact O-CB 3.49Å; E396-L400 PolarHBondContact O-N 3.38Å
397Y89.9Confident92.5Very high153 Ų153106.3 Ų106.360%0.651%0.513SS*.Hα-helixtrans-61.2-47174.6175.2-100.6000111.7M393 E394 F395 R399 L400 K401M393-Y397 VanDerWaalsContact O-CB 3.25Å; M393-Y397 WeakPolarHBondContact O-CB 3.36Å; M393-Y397 PolarHBondContact O-N 3.4Å; E394-Y397 PolarHBondContact O-N 2.95Å; F395-Y397 VanDerWaalsContact C-N 3.33Å; F395-Y397 PolarHBondContact O-N 3.34Å; Y397-R399 PolarHBondContact O-N 3.13Å; Y397-L400 PolarHBondContact O-N 2.96Å; Y397-K401 HydrophobicContact CE1-CD 4.37Å; Y397-K401 VanDerWaalsContact O-CB 3.28Å; Y397-K401 WeakPolarHBondContact O-CB 3.48Å; Y397-K401 PolarHBondContact O-N 3.34Å
398K93.9Very high92.5Very high105 Ų105106.8 Ų106.846%0.45751%0.508SS..Hα-helixtrans-57.8-47.6174.7-79176.3-174.8160.80111.3E394 F395 L400 K401 E402E394-K398 WeakPolarHBondContact O-CB 3.41Å; E394-K398 WeakPolarHBondContact O-CG 3.4Å; E394-K398 PolarHBondContact O-N 3.13Å; E394-K398 WeakPolarHBondContact OE1-CE 3.4Å; E394-K398 IonicContact OE1-NZ 2.68Å; E394-K398 PolarHBondContact OE1-NZ 2.87Å; F395-K398 PolarHBondContact O-N 3.03Å; K398-L400 PolarHBondContact O-N 3.49Å; K398-K401 WeakPolarHBondContact O-CB 3.43Å; K398-K401 PolarHBondContact O-N 3.4Å; K398-E402 WeakPolarHBondContact O-CG 3.44Å; K398-E402 PolarHBondContact O-N 2.88Å
399R93.6Very high92.4Very high143 Ų143107.7 Ų107.754%0.5451%0.512SS..Hα-helixtrans-60.7-43.1177-170.6-173.873.7-179.8-0.7112.3F395 E396 Y397 K403F395-R399 WeakPolarHBondContact O-CB 3.45Å; F395-R399 PolarHBondContact O-N 3.46Å; E396-R399 PolarHBondContact O-N 3.33Å; Y397-R399 PolarHBondContact O-N 3.13Å; R399-K403 PolarHBondContact O-N 3.39Å
400L91.9Very high92.3Very high105 Ų105108 Ų10855%0.5552%0.516SS..Hα-helixtrans-66-42.1177.5-130.677.8000110.9E396 Y397 K398 K403 V404E396-L400 WeakPolarHBondContact O-CB 3.49Å; E396-L400 PolarHBondContact O-N 3.38Å; Y397-L400 PolarHBondContact O-N 2.96Å; K398-L400 PolarHBondContact O-N 3.49Å; L400-K403 WeakPolarHBondContact O-CB 3.22Å; L400-K403 PolarHBondContact O-N 3.28Å; L400-V404 WeakPolarHBondContact O-CG2 3.34Å; L400-V404 PolarHBondContact O-N 3.07Å
401K92.9Very high92.4Very high107 Ų107110.2 Ų110.247%0.46551%0.514SS..Hα-helixtrans-61.3-47176.1-174.6179.5178.7-176.50111.4Y397 K398 K403 V404 D405Y397-K401 HydrophobicContact CE1-CD 4.37Å; Y397-K401 VanDerWaalsContact O-CB 3.28Å; Y397-K401 WeakPolarHBondContact O-CB 3.48Å; Y397-K401 PolarHBondContact O-N 3.34Å; K398-K401 WeakPolarHBondContact O-CB 3.43Å; K398-K401 PolarHBondContact O-N 3.4Å; K401-K403 VanDerWaalsContact C-N 3.27Å; K401-K403 PolarHBondContact O-N 3.45Å; K401-V404 PolarHBondContact O-N 3.19Å; K401-V404 VanDerWaalsContact O-N 3.14Å; K401-D405 WeakPolarHBondContact O-CB 3.31Å; K401-D405 VanDerWaalsContact O-CG 3.29Å; K401-D405 PolarHBondContact O-N 3.48Å
402E93.8Very high92.3Very high132 Ų132108.8 Ų108.862%0.61751%0.507SS*.Hα-helixtrans-58.1-40.4173.9-74.1171.6-178.300111.9K398 D405 S406K398-E402 WeakPolarHBondContact O-CG 3.44Å; K398-E402 PolarHBondContact O-N 2.88Å; E402-D405 PolarHBondContact O-N 2.93Å; E402-S406 WeakPolarHBondContact O-CB 3.34Å; E402-S406 PolarHBondContact O-N 3.02Å; E402-S406 PolarHBondContact O-OG 2.79Å
403K94.2Very high92.2Very high134 Ų134110.2 Ų110.258%0.58351%0.508SS*.Hα-helixtrans-64.6-44.8174.7-170.8172.6-176.6177.30111.7R399 L400 K401 S406 L407R399-K403 PolarHBondContact O-N 3.39Å; L400-K403 WeakPolarHBondContact O-CB 3.22Å; L400-K403 PolarHBondContact O-N 3.28Å; K401-K403 VanDerWaalsContact C-N 3.27Å; K401-K403 PolarHBondContact O-N 3.45Å; K403-S406 WeakPolarHBondContact CA-OG 3.5Å; K403-S406 PolarHBondContact O-N 2.85Å; K403-S406 PolarHBondContact O-OG 3.16Å; K403-L407 HydrophobicContact CG-CD1 4.36Å; K403-L407 WeakPolarHBondContact O-CG 3.4Å; K403-L407 PolarHBondContact O-N 3.06Å
404V91.5Very high92.3Very high85 Ų85110.1 Ų110.152%0.51551%0.508SS..Hα-helixtrans-60.5-45.7174.6170.10000110.7L400 K401 S406 L407 Q408L400-V404 WeakPolarHBondContact O-CG2 3.34Å; L400-V404 PolarHBondContact O-N 3.07Å; K401-V404 PolarHBondContact O-N 3.19Å; K401-V404 VanDerWaalsContact O-N 3.14Å; V404-S406 VanDerWaalsContact C-N 3.31Å; V404-S406 PolarHBondContact O-N 3.1Å; V404-L407 PolarHBondContact O-N 3.11Å; V404-Q408 VanDerWaalsContact O-CB 3.27Å; V404-Q408 WeakPolarHBondContact O-CB 3.41Å; V404-Q408 PolarHBondContact O-N 3.07Å
405D93.4Very high92.1Very high77 Ų77111.8 Ų111.841%0.41251%0.51SS..Hα-helixtrans-62-38.9177.5-70.5-17.6000111.3K401 E402 Q408 K409K401-D405 WeakPolarHBondContact O-CB 3.31Å; K401-D405 VanDerWaalsContact O-CG 3.29Å; K401-D405 PolarHBondContact O-N 3.48Å; E402-D405 PolarHBondContact O-N 2.93Å; D405-Q408 PolarHBondContact O-N 3.43Å; D405-K409 WeakPolarHBondContact O-CG 3.49Å; D405-K409 PolarHBondContact O-N 3Å
406S92.6Very high91.9Very high62 Ų62109.2 Ų109.243%0.43451%0.506SS..Hα-helixtrans-65.9-44.7175.673.20000112.6E402 K403 V404 Q408 K409 E410E402-S406 WeakPolarHBondContact O-CB 3.34Å; E402-S406 PolarHBondContact O-N 3.02Å; E402-S406 PolarHBondContact O-OG 2.79Å; K403-S406 WeakPolarHBondContact CA-OG 3.5Å; K403-S406 PolarHBondContact O-N 2.85Å; K403-S406 PolarHBondContact O-OG 3.16Å; V404-S406 VanDerWaalsContact C-N 3.31Å; V404-S406 PolarHBondContact O-N 3.1Å; S406-Q408 VanDerWaalsContact C-N 3.31Å; S406-Q408 PolarHBondContact O-N 3.19Å; S406-K409 PolarHBondContact O-N 3.42Å; S406-E410 PolarHBondContact O-N 3.31Å
407L92.3Very high91.7Very high93 Ų93109.2 Ų109.249%0.48751%0.506SS..Hα-helixtrans-66-35.2175.2-72.6171.3000111.4K403 V404 E410 K411K403-L407 HydrophobicContact CG-CD1 4.36Å; K403-L407 WeakPolarHBondContact O-CG 3.4Å; K403-L407 PolarHBondContact O-N 3.06Å; V404-L407 PolarHBondContact O-N 3.11Å; L407-E410 PolarHBondContact O-N 2.67Å; L407-K411 VanDerWaalsContact O-CB 3.32Å; L407-K411 WeakPolarHBondContact O-CB 3.48Å; L407-K411 PolarHBondContact O-N 2.95Å
408Q92.1Very high91.6Very high72 Ų72107.1 Ų107.134%0.33650%0.497SS..Hα-helixtrans-66.7-43175.6-177.752.138.900110.7V404 D405 S406 E410 K411 D412V404-Q408 VanDerWaalsContact O-CB 3.27Å; V404-Q408 WeakPolarHBondContact O-CB 3.41Å; V404-Q408 PolarHBondContact O-N 3.07Å; D405-Q408 PolarHBondContact O-N 3.43Å; S406-Q408 VanDerWaalsContact C-N 3.31Å; S406-Q408 PolarHBondContact O-N 3.19Å; Q408-E410 PolarHBondContact O-N 3.48Å; Q408-K411 WeakPolarHBondContact O-CB 3.5Å; Q408-K411 PolarHBondContact O-N 2.83Å; Q408-D412 PolarHBondContact NE2-OD1 3.26Å; Q408-D412 PolarHBondContact NE2-OD2 3.24Å; Q408-D412 WeakPolarHBondContact O-CB 3.42Å; Q408-D412 PolarHBondContact O-N 3.38Å
409K92.8Very high91.3Very high148 Ų148105.2 Ų105.264%0.64349%0.492SS*.Hα-helixtrans-61.5-41172.2-74.3173.9-177.1176.70112.5D405 S406 D412 R413D405-K409 WeakPolarHBondContact O-CG 3.49Å; D405-K409 PolarHBondContact O-N 3Å; S406-K409 PolarHBondContact O-N 3.42Å; K409-D412 PolarHBondContact O-N 3.28Å; K409-R413 WeakPolarHBondContact O-CG 3.35Å; K409-R413 PolarHBondContact O-N 2.99Å
410E90.4Very high91Very high115 Ų115101.1 Ų101.154%0.53749%0.485SS..Hα-helixtrans-65.3-45.8175.5-172.4178-176.700111.3S406 L407 Q408 D412 R413 M414S406-E410 PolarHBondContact O-N 3.31Å; L407-E410 PolarHBondContact O-N 2.67Å; Q408-E410 PolarHBondContact O-N 3.48Å; E410-D412 VanDerWaalsContact C-N 3.28Å; E410-D412 PolarHBondContact O-N 3.35Å; E410-R413 WeakPolarHBondContact O-CB 3.42Å; E410-R413 PolarHBondContact O-N 3Å; E410-R413 VanDerWaalsContact O-N 3.16Å; E410-M414 WeakPolarHBondContact O-CG 3.41Å; E410-M414 PolarHBondContact O-N 2.89Å
411K91.1Very high90.6Very high101 Ų101101.1 Ų101.144%0.43949%0.485SS..Hα-helixtrans-56-44.7173.4-168.3-166.188-164.60111.4L407 Q408 M414 R415L407-K411 VanDerWaalsContact O-CB 3.32Å; L407-K411 WeakPolarHBondContact O-CB 3.48Å; L407-K411 PolarHBondContact O-N 2.95Å; Q408-K411 WeakPolarHBondContact O-CB 3.5Å; Q408-K411 PolarHBondContact O-N 2.83Å; K411-M414 PolarHBondContact O-N 3.06Å; K411-R415 VanDerWaalsContact O-CB 3.28Å; K411-R415 WeakPolarHBondContact O-CB 3.46Å; K411-R415 PolarHBondContact O-N 3.47Å
412D91.1Very high90.3Very high61 Ų61101 Ų10133%0.32649%0.485SS..Hα-helixtrans-68.9-36.5179.7-65.6-21.4000111.2Q408 K409 E410 R415 T416Q408-D412 PolarHBondContact NE2-OD1 3.26Å; Q408-D412 PolarHBondContact NE2-OD2 3.24Å; Q408-D412 WeakPolarHBondContact O-CB 3.42Å; Q408-D412 PolarHBondContact O-N 3.38Å; K409-D412 PolarHBondContact O-N 3.28Å; E410-D412 VanDerWaalsContact C-N 3.28Å; E410-D412 PolarHBondContact O-N 3.35Å; D412-R415 WeakPolarHBondContact O-CB 3.37Å; D412-R415 PolarHBondContact O-N 2.93Å; D412-T416 WeakPolarHBondContact O-CG2 3.4Å; D412-T416 PolarHBondContact O-N 2.88Å; D412-T416 PolarHBondContact O-OG1 3.43Å
413R92.1Very high89.6Confident175 Ų175100.2 Ų100.266%0.6648%0.481SS*.Hα-helixtrans-61.6-50.1169.6-78.9-178-176.6176.80.1112.7K409 E410 R415 T416 E417K409-R413 WeakPolarHBondContact O-CG 3.35Å; K409-R413 PolarHBondContact O-N 2.99Å; E410-R413 WeakPolarHBondContact O-CB 3.42Å; E410-R413 PolarHBondContact O-N 3Å; E410-R413 VanDerWaalsContact O-N 3.16Å; R413-R415 PolarHBondContact O-N 3.01Å; R413-T416 WeakPolarHBondContact CA-OG1 3.34Å; R413-T416 CarbonylContact O-C 3.53Å; R413-T416 PolarHBondContact O-N 2.76Å; R413-T416 VanDerWaalsContact O-N 3.09Å; R413-T416 PolarHBondContact O-OG1 3.46Å; R413-E417 WeakPolarHBondContact O-CG 3.34Å; R413-E417 PolarHBondContact O-N 3.25Å
414M90.4Very high88.9Confident110 Ų11096.7 Ų96.754%0.54247%0.471SS..Hα-helixtrans-60.6-34176.8-65.6-56.8-6600111.2E410 K411 R418E410-M414 WeakPolarHBondContact O-CG 3.41Å; E410-M414 PolarHBondContact O-N 2.89Å; K411-M414 PolarHBondContact O-N 3.06Å; M414-R418 WeakPolarHBondContact O-CB 3.3Å; M414-R418 PolarHBondContact O-N 3.48Å
415R88.8Confident88.2Confident130 Ų13097 Ų9749%0.49147%0.468SS..Hα-helixtrans-65.6-46.1173.7-172-176.4-92.1179.9-9.9111.3K411 D412 R413 R418 D419K411-R415 VanDerWaalsContact O-CB 3.28Å; K411-R415 WeakPolarHBondContact O-CB 3.46Å; K411-R415 PolarHBondContact O-N 3.47Å; D412-R415 WeakPolarHBondContact O-CB 3.37Å; D412-R415 PolarHBondContact O-N 2.93Å; R413-R415 PolarHBondContact O-N 3.01Å; R415-R418 WeakPolarHBondContact O-CB 3.46Å; R415-R418 PolarHBondContact O-N 3.41Å; R415-R418 PolarHBondContact O-NE 3.29Å; R415-D419 VanDerWaalsContact O-CG 3.26Å; R415-D419 PolarHBondContact O-N 3.28Å
416T89.3Confident87.5Confident87 Ų8799.2 Ų99.253%0.53448%0.476SS..Hα-helixtrans-65.8-40.4175.652.40000112.6D412 R413 D419 S420D412-T416 WeakPolarHBondContact O-CG2 3.4Å; D412-T416 PolarHBondContact O-N 2.88Å; D412-T416 PolarHBondContact O-OG1 3.43Å; R413-T416 WeakPolarHBondContact CA-OG1 3.34Å; R413-T416 CarbonylContact O-C 3.53Å; R413-T416 PolarHBondContact O-N 2.76Å; R413-T416 VanDerWaalsContact O-N 3.09Å; R413-T416 PolarHBondContact O-OG1 3.46Å; T416-D419 PolarHBondContact O-N 3.47Å; T416-S420 PolarHBondContact O-N 3.15Å; T416-S420 PolarHBondContact O-OG 3.04Å
417E86.9Confident86.8Confident99 Ų99101.6 Ų101.646%0.46348%0.481SS..Hα-helixtrans-62.4-46.9175-75.9177.4-168.700110.5R413 D419 S420 L421R413-E417 WeakPolarHBondContact O-CG 3.34Å; R413-E417 PolarHBondContact O-N 3.25Å; E417-D419 VanDerWaalsContact C-N 3.31Å; E417-D419 PolarHBondContact O-N 3.44Å; E417-S420 WeakPolarHBondContact CA-OG 3.46Å; E417-S420 PolarHBondContact O-N 3.1Å; E417-S420 PolarHBondContact O-OG 3.27Å; E417-L421 WeakPolarHBondContact O-CB 3.42Å; E417-L421 WeakPolarHBondContact O-CG 3.49Å; E417-L421 PolarHBondContact O-N 3.15Å
418R88.1Confident85.8Confident108 Ų108102.4 Ų102.441%0.40849%0.485SS..Hα-helixtrans-55.6-45172.1173.9-142.459.8172-5.8111.7M414 R415 L421 K422M414-R418 WeakPolarHBondContact O-CB 3.3Å; M414-R418 PolarHBondContact O-N 3.48Å; R415-R418 WeakPolarHBondContact O-CB 3.46Å; R415-R418 PolarHBondContact O-N 3.41Å; R415-R418 PolarHBondContact O-NE 3.29Å; R418-L421 PolarHBondContact O-N 3.25Å; R418-K422 WeakPolarHBondContact O-CG 3.44Å; R418-K422 PolarHBondContact O-N 2.62Å
419D88.8Confident84.7Confident66 Ų66104.7 Ų104.735%0.35350%0.495SS..Hα-helixtrans-66.5-42.7179.7-70.5-24.8000112R415 T416 E417 L421 K422 E423R415-D419 VanDerWaalsContact O-CG 3.26Å; R415-D419 PolarHBondContact O-N 3.28Å; T416-D419 PolarHBondContact O-N 3.47Å; E417-D419 VanDerWaalsContact C-N 3.31Å; E417-D419 PolarHBondContact O-N 3.44Å; D419-L421 VanDerWaalsContact C-N 3.34Å; D419-L421 PolarHBondContact O-N 3.34Å; D419-K422 WeakPolarHBondContact O-CB 2.9Å; D419-K422 PolarHBondContact O-N 3.03Å; D419-E423 WeakPolarHBondContact O-CB 3.47Å; D419-E423 PolarHBondContact O-N 3.39Å
420S86Confident83.1Confident56 Ų56101.8 Ų101.839%0.39249%0.493SS..Hα-helixtrans-62.8-38.6173.267.50000112.4T416 E417 E423 T424T416-S420 PolarHBondContact O-N 3.15Å; T416-S420 PolarHBondContact O-OG 3.04Å; E417-S420 WeakPolarHBondContact CA-OG 3.46Å; E417-S420 PolarHBondContact O-N 3.1Å; E417-S420 PolarHBondContact O-OG 3.27Å; S420-E423 WeakPolarHBondContact O-CB 3.34Å; S420-E423 PolarHBondContact O-N 3.26Å; S420-T424 WeakPolarHBondContact O-CG2 3.42Å; S420-T424 PolarHBondContact O-N 3.12Å; S420-T424 PolarHBondContact O-OG1 2.9Å
421L84.7Confident81.7Confident105 Ų10599.9 Ų99.955%0.5549%0.489SS..Hα-helixtrans-67.3-39.9175.5-74.5172.1000111.4E417 R418 D419 E423 T424 I425E417-L421 WeakPolarHBondContact O-CB 3.42Å; E417-L421 WeakPolarHBondContact O-CG 3.49Å; E417-L421 PolarHBondContact O-N 3.15Å; R418-L421 PolarHBondContact O-N 3.25Å; D419-L421 VanDerWaalsContact C-N 3.34Å; D419-L421 PolarHBondContact O-N 3.34Å; L421-E423 VanDerWaalsContact C-N 3.32Å; L421-T424 WeakPolarHBondContact CA-OG1 3.34Å; L421-T424 PolarHBondContact O-N 3.49Å; L421-T424 PolarHBondContact O-OG1 3.34Å; L421-I425 WeakPolarHBondContact O-CB 3.23Å; L421-I425 VanDerWaalsContact O-CG1 3.25Å; L421-I425 WeakPolarHBondContact O-CG1 3.42Å; L421-I425 PolarHBondContact O-N 3.03Å
422K85Confident80.1Confident105 Ų105102.3 Ų102.346%0.45750%0.501SS..Hα-helixtrans-59.2-45.4171.2-77.4178.4172.7-166.80111.2R418 D419 I425 E426R418-K422 WeakPolarHBondContact O-CG 3.44Å; R418-K422 PolarHBondContact O-N 2.62Å; D419-K422 WeakPolarHBondContact O-CB 2.9Å; D419-K422 PolarHBondContact O-N 3.03Å; K422-I425 PolarHBondContact O-N 2.99Å; K422-E426 WeakPolarHBondContact O-CG 3.31Å; K422-E426 PolarHBondContact O-N 3.26Å
423E80.2Confident78.4Confident116 Ų116103.1 Ų103.154%0.54252%0.517SS..Hα-helixtrans-59.8-46.5175.7-170174.2-163.600110.9D419 S420 L421 I425 E426 E427D419-E423 WeakPolarHBondContact O-CB 3.47Å; D419-E423 PolarHBondContact O-N 3.39Å; S420-E423 WeakPolarHBondContact O-CB 3.34Å; S420-E423 PolarHBondContact O-N 3.26Å; L421-E423 VanDerWaalsContact C-N 3.32Å; E423-I425 VanDerWaalsContact C-N 3.32Å; E423-I425 PolarHBondContact O-N 3.37Å; E423-E426 CarbonylContact O-C 3.58Å; E423-E426 WeakPolarHBondContact O-CB 3.31Å; E423-E426 PolarHBondContact O-N 3.3Å; E423-E426 VanDerWaalsContact O-N 3.14Å; E423-E427 WeakPolarHBondContact O-CG 3.26Å; E423-E427 PolarHBondContact O-N 3.14Å
424T78.7Confident76.4Confident60 Ų60102.5 Ų102.537%0.36852%0.521SS..Hα-helixtrans-64.2-33175.260.30000113.5S420 L421 L428S420-T424 WeakPolarHBondContact O-CG2 3.42Å; S420-T424 PolarHBondContact O-N 3.12Å; S420-T424 PolarHBondContact O-OG1 2.9Å; L421-T424 WeakPolarHBondContact CA-OG1 3.34Å; L421-T424 PolarHBondContact O-N 3.49Å; L421-T424 PolarHBondContact O-OG1 3.34Å; T424-L428 WeakPolarHBondContact O-CB 3.45Å; T424-L428 WeakPolarHBondContact O-CG 3.35Å; T424-L428 PolarHBondContact O-N 2.91Å
425I77.3Confident74.2Confident90 Ų90105.6 Ų105.646%0.46254%0.535SS..Hα-helixtrans-68.7-41.4174.1-71.9165.4000109.9L421 K422 E423 L428 H429L421-I425 WeakPolarHBondContact O-CB 3.23Å; L421-I425 VanDerWaalsContact O-CG1 3.25Å; L421-I425 WeakPolarHBondContact O-CG1 3.42Å; L421-I425 PolarHBondContact O-N 3.03Å; K422-I425 PolarHBondContact O-N 2.99Å; E423-I425 VanDerWaalsContact C-N 3.32Å; E423-I425 PolarHBondContact O-N 3.37Å; I425-L428 PolarHBondContact O-N 2.93Å; I425-H429 WeakPolarHBondContact O-CB 3.43Å; I425-H429 PolarHBondContact O-N 2.64Å
426E78.9Confident72.1Confident124 Ų124101.9 Ų101.958%0.57954%0.537SS*.Hα-helixtrans-63.8-42.4174.6-73.1171.3-167.900111.3K422 E423 H429 C430K422-E426 WeakPolarHBondContact O-CG 3.31Å; K422-E426 PolarHBondContact O-N 3.26Å; E423-E426 CarbonylContact O-C 3.58Å; E423-E426 WeakPolarHBondContact O-CB 3.31Å; E423-E426 PolarHBondContact O-N 3.3Å; E423-E426 VanDerWaalsContact O-N 3.14Å; E426-H429 PolarHBondContact O-N 3.04Å; E426-C430 PolarHBondContact O-N 3.02Å
427E77.1Confident69.7Low112 Ų112106.1 Ų106.152%0.52355%0.55SS.*Hα-helixtrans-62.4-45.3173-72.9-179.1163.200112E423 H429 C430 V431E423-E427 WeakPolarHBondContact O-CG 3.26Å; E423-E427 PolarHBondContact O-N 3.14Å; E427-H429 PolarHBondContact O-N 3.23Å; E427-C430 CarbonylContact O-C 3.58Å; E427-C430 WeakPolarHBondContact O-CA 3.37Å; E427-C430 WeakPolarHBondContact O-CB 3.21Å; E427-C430 PolarHBondContact O-N 3.12Å; E427-C430 VanDerWaalsContact O-N 3.11Å; E427-V431 WeakPolarHBondContact O-CG2 3.46Å; E427-V431 PolarHBondContact O-N 2.89Å
428L72.3Confident67.6Low111 Ų111110 Ų11058%0.58157%0.573SS**Hα-helixtrans-63.7-39.1176.1-76.2170000111.9T424 I425 C430 V431 Q432T424-L428 WeakPolarHBondContact O-CB 3.45Å; T424-L428 WeakPolarHBondContact O-CG 3.35Å; T424-L428 PolarHBondContact O-N 2.91Å; I425-L428 PolarHBondContact O-N 2.93Å; L428-C430 VanDerWaalsContact C-N 3.32Å; L428-C430 PolarHBondContact O-N 3.2Å; L428-V431 PolarHBondContact O-N 3.24Å; L428-Q432 VanDerWaalsContact O-CB 3.26Å; L428-Q432 WeakPolarHBondContact O-CB 3.21Å; L428-Q432 PolarHBondContact O-N 3.33Å
429H69Low64.7Low120 Ų120110.9 Ų110.956%0.55659%0.591SS**Hα-helixtrans-62.4-38.1171-77.1161.4000112I425 E426 E427 A433I425-H429 WeakPolarHBondContact O-CB 3.43Å; I425-H429 PolarHBondContact O-N 2.64Å; E426-H429 PolarHBondContact O-N 3.04Å; E427-H429 PolarHBondContact O-N 3.23Å; H429-A433 VanDerWaalsContact O-CB 3.31Å; H429-A433 WeakPolarHBondContact O-CB 3.4Å; H429-A433 PolarHBondContact O-N 2.98Å
430C58.3Low61.9Low86 Ų86112.9 Ų112.958%0.58161%0.61SS**Hα-helixtrans-65.6-42.2173.6-87.10000112.6E426 E427 L428 A433 Q434E426-C430 PolarHBondContact O-N 3.02Å; E427-C430 CarbonylContact O-C 3.58Å; E427-C430 WeakPolarHBondContact O-CA 3.37Å; E427-C430 WeakPolarHBondContact O-CB 3.21Å; E427-C430 PolarHBondContact O-N 3.12Å; E427-C430 VanDerWaalsContact O-N 3.11Å; L428-C430 VanDerWaalsContact C-N 3.32Å; L428-C430 PolarHBondContact O-N 3.2Å; C430-A433 PolarHBondContact O-N 3.45Å; C430-Q434 WeakPolarHBondContact O-CB 3.4Å; C430-Q434 PolarHBondContact O-N 3.32Å
431V61.3Low59.1Low75 Ų75115.2 Ų115.246%0.45563%0.627SS.*Hα-helixtrans-66.9-40.1176.4173.40000111.2E427 L428 A433 Q434 E435E427-V431 WeakPolarHBondContact O-CG2 3.46Å; E427-V431 PolarHBondContact O-N 2.89Å; L428-V431 PolarHBondContact O-N 3.24Å; V431-A433 VanDerWaalsContact C-N 3.29Å; V431-A433 PolarHBondContact O-N 3.23Å; V431-Q434 PolarHBondContact O-N 3.44Å; V431-E435 PolarHBondContact O-N 2.92Å
432Q57.7Low56.5Low152 Ų152118 Ų11871%0.7164%0.641SS**Hα-helixtrans-70.4-26.4177.1-149.5170.534.100112.4L428L428-Q432 VanDerWaalsContact O-CB 3.26Å; L428-Q432 WeakPolarHBondContact O-CB 3.21Å; L428-Q432 PolarHBondContact O-N 3.33Å
433A56Low53.9Low78 Ų78122.5 Ų122.565%0.64566%0.661SS**Hα-helixtrans-76.7-21.2168.800000113.2H429 C430 V431H429-A433 VanDerWaalsContact O-CB 3.31Å; H429-A433 WeakPolarHBondContact O-CB 3.4Å; H429-A433 PolarHBondContact O-N 2.98Å; C430-A433 PolarHBondContact O-N 3.45Å; V431-A433 VanDerWaalsContact C-N 3.29Å; V431-A433 PolarHBondContact O-N 3.23Å
434Q49.4Very low51.8Low162 Ų162122.1 Ų122.176%0.75767%0.669SS**Hα-helixtrans-88-21.9-176.3-118.5172.51.600114.9C430 V431C430-Q434 WeakPolarHBondContact O-CB 3.4Å; C430-Q434 PolarHBondContact O-N 3.32Å; V431-Q434 PolarHBondContact O-N 3.44Å
435E44.1Very low49.8Very low176 Ų176127.4 Ų127.482%0.82269%0.694SS**SBendtrans-89.4-1.8-179.8-75.9-171.9151.900114.9V431V431-E435 PolarHBondContact O-N 2.92Å
436G44.3Very low47.7Very low52 Ų52127.2 Ų127.254%0.53671%0.714SS.*SBendtrans-96.985.1174.300000113.7
437Q40.7Very low45.8Very low175 Ų175124.4 Ų124.482%0.81872%0.718SS**  trans66.8101.1158.2-56.8169.1-21.400115.4T439Q437-T439 VanDerWaalsContact C-N 3.27Å
438L41.5Very low44Very low181 Ų181123.9 Ų123.995%0.94873%0.727SS**  cis40.447.743.4-73.2171.2000114.4
439T28.1Very low42.5Very low126 Ų126127.6 Ų127.677%0.77374%0.741SS**  -122.6127.4125.145.70000108.8Q437Q437-T439 VanDerWaalsContact C-N 3.27Å
440S29Very low40.8Very low109 Ų109125.2 Ų125.276%0.76275%0.749SS**SBendtrans83.8103.2166.5-154.10000118.2
441S26.8Very low40.2Very low105 Ų105126.1 Ų126.173%0.73476%0.756SS**  trans7887.5134.4-55.60000119.7
442L31.1Very low38.8Very low164 Ų164130.1 Ų130.186%0.85978%0.775SS**  34.692.9126.3-77.7148.1000119.2
443F29.7Very low38Very low198 Ų198127.7 Ų127.787%0.86878%0.775SS**  trans40.7109.9137.1-80.1-85.8000121.6
444P36.5Very low37.1Very low109 Ų109131.8 Ų131.871%0.70879%0.785SS**  trans-125.8150.6137.833-18.5000113.5
445L37.7Very low36.5Very low171 Ų171129.2 Ų129.290%0.89579%0.792SS**  trans37123.1140.1-68.3150.3000120.6
446G33.3Very low36.5Very low86 Ų86125.9 Ų125.989%0.88780%0.795SS**  trans-85.2111.7154.100000111.1
447G37.4Very low36.5Very low65 Ų65132.1 Ų132.167%0.6781%0.81SS**  trans-86.2153.4161.800000110.8
448S39.7Very low36.9Very low100 Ų100131.9 Ų131.970%0.69981%0.812SS**  93.513485.61750000108.9
449E41.6Very low37.3Very low189 Ų189127.4 Ų127.488%0.88379%0.793SS**  cis-170.6171.515.8-125.9164.7-138.100110.9
450G33.8Very low38.8Very low70 Ų70125.3 Ų125.372%0.72278%0.78SS**  trans164.858.9153.800000117.6
451S45.1Very low40.4Very low105 Ų105124.2 Ų124.273%0.73477%0.77SS**  trans55.8130.4131.8169.40000118.8
452D31.8Very low42.2Very low159 Ų159125.8 Ų125.885%0.8577%0.766SS**  cis-157.6151.640-129.63.4000111.8
453S40.6Very low43.7Very low101 Ų101123 Ų12371%0.70675%0.751SS**  trans-112.7161.6-168.5-173.90000111.5
454L37.9Very low45.3Very low164 Ų164120 Ų12086%0.85973%0.734SS**  trans88.183.9139-148.175.3000119.9
455A36.7Very low46.9Very low109 Ų109119.9 Ų119.990%0.90172%0.724SS**  trans-166.741.4153.600000116.4
456A43.9Very low48.5Very low106 Ų106117.1 Ų117.188%0.87671%0.706SS**  trans-141.631.7-17800000116.8
457E44.5Very low50.4Low183 Ų183117.5 Ų117.586%0.85569%0.687SS**  trans-143.955.5177.6-150.9172.7-157.400115
458I49.1Very low52.3Low169 Ų169119.5 Ų119.587%0.86768%0.682SS**  trans-147.280.5153.4-48.2177.9000109.9
459T50.1Low54.1Low88 Ų88121.1 Ų121.154%0.5467%0.672SS.*  trans-147.8126.2156.1420000110.1R464T459-R464 PolarHBondContact O-NE 3.44Å; T459-R464 PolarHBondContact O-NH2 2.93Å
460T57.8Low55.6Low82 Ų82116.1 Ų116.150%0.50365%0.651SS.*  trans-66.5152.8-176.133.10000113.1E462 I463T460-E462 PolarHBondContact O-N 2.89Å; T460-I463 PolarHBondContact O-N 3.41Å
461P63.2Low57.6Low86 Ų86118.3 Ų118.356%0.55864%0.643SS**Hα-helixtrans-62.7-33.4-169.7-20.532.4000114.8I463 R464 E465P461-I463 VanDerWaalsContact C-N 3.32Å; P461-I463 PolarHBondContact O-N 3.42Å; P461-R464 PolarHBondContact O-N 2.96Å; P461-E465 PolarHBondContact O-N 2.98Å; P461-E465 VanDerWaalsContact O-N 3.17Å
462E64.4Low59.1Low137 Ų137118.8 Ų118.864%0.6463%0.633SS**Hα-helixtrans-68.3-31.6-176.1-60.879.7-168.200112.5T460 H466T460-E462 PolarHBondContact O-N 2.89Å; E462-H466 PolarHBondContact O-N 2.99Å
463I63.4Low61.4Low107 Ų107116.7 Ų116.755%0.54962%0.618SS.*Hα-helixtrans-74.4-35.1176.6-61.1175.6000110.4T460 P461 H466 L467T460-I463 PolarHBondContact O-N 3.41Å; P461-I463 VanDerWaalsContact C-N 3.32Å; P461-I463 PolarHBondContact O-N 3.42Å; I463-H466 PolarHBondContact O-N 3.38Å; I463-L467 VanDerWaalsContact O-CB 3.24Å; I463-L467 WeakPolarHBondContact O-CB 3.43Å; I463-L467 PolarHBondContact O-N 3.19Å
464R63.7Low62.8Low135 Ų135116.6 Ų116.651%0.50961%0.609SS.*Hα-helixtrans-62.9-42174.7-87.2-173.9-107.1-179.5-6111.7T459 P461 L467 I468T459-R464 PolarHBondContact O-NE 3.44Å; T459-R464 PolarHBondContact O-NH2 2.93Å; P461-R464 PolarHBondContact O-N 2.96Å; R464-L467 PolarHBondContact O-N 2.97Å; R464-I468 WeakPolarHBondContact O-CB 3.16Å; R464-I468 WeakPolarHBondContact O-CD1 3.47Å; R464-I468 WeakPolarHBondContact O-CG1 3.34Å; R464-I468 PolarHBondContact O-N 2.94Å
465E69.6Low64.8Low106 Ų106115.2 Ų115.250%0.49560%0.597SS.*Hα-helixtrans-67.9-40.9178.9-159.7-167.9155.500112.1P461 I468 R469P461-E465 PolarHBondContact O-N 2.98Å; P461-E465 VanDerWaalsContact O-N 3.17Å; E465-I468 PolarHBondContact O-N 3.44Å; E465-R469 PolarHBondContact O-N 2.79Å; E465-R469 IonicContact OE1-CZ 3.45Å; E465-R469 IonicContact OE1-NE 3.37Å; E465-R469 PolarHBondContact OE1-NE 3.39Å; E465-R469 IonicContact OE1-NH2 2.7Å; E465-R469 PolarHBondContact OE1-NH2 2.96Å; E465-R469 IonicContact OE2-NH2 3.65Å
466H71.6Confident66.7Low112 Ų112114.9 Ų114.952%0.51958%0.578SS.*Hα-helixtrans-68.6-36.5177.8-137.7-9.8000112.1E462 I463 R469 L470E462-H466 PolarHBondContact O-N 2.99Å; I463-H466 PolarHBondContact O-N 3.38Å; H466-R469 PolarHBondContact O-N 2.99Å; H466-L470 WeakPolarHBondContact O-CB 3.49Å; H466-L470 PolarHBondContact O-N 3.36Å
467L73.3Confident68.1Low95 Ų95114.8 Ų114.850%0.49756%0.562SS.*Hα-helixtrans-64.4-42.4172.8-170.575.8000111.4I463 R464 L470 Q471I463-L467 VanDerWaalsContact O-CB 3.24Å; I463-L467 WeakPolarHBondContact O-CB 3.43Å; I463-L467 PolarHBondContact O-N 3.19Å; R464-L467 PolarHBondContact O-N 2.97Å; L467-L470 PolarHBondContact O-N 2.86Å; L467-Q471 HydrophobicContact CG-CG 4.43Å; L467-Q471 WeakPolarHBondContact O-CB 3.34Å; L467-Q471 WeakPolarHBondContact O-CG 3.28Å; L467-Q471 PolarHBondContact O-N 3.43Å
468I75.9Confident69.6Low107 Ų107112.8 Ų112.855%0.54955%0.55SS.*Hα-helixtrans-65.9-41.6177.1-69.5164.4000110.7R464 E465 Q471 H472R464-I468 WeakPolarHBondContact O-CB 3.16Å; R464-I468 WeakPolarHBondContact O-CD1 3.47Å; R464-I468 WeakPolarHBondContact O-CG1 3.34Å; R464-I468 PolarHBondContact O-N 2.94Å; E465-I468 PolarHBondContact O-N 3.44Å; I468-Q471 PolarHBondContact O-N 2.97Å; I468-H472 VanDerWaalsContact O-CB 3.31Å; I468-H472 WeakPolarHBondContact O-CB 3.33Å; I468-H472 PolarHBondContact O-N 3.16Å
469R77.1Confident70.8Confident134 Ų134109 Ų10951%0.50653%0.532SS..Hα-helixtrans-64.7-46175.4-79.4-168-114.7135.5-4.8112.2E465 H466 Q471 H472 E473E465-R469 PolarHBondContact O-N 2.79Å; E465-R469 IonicContact OE1-CZ 3.45Å; E465-R469 IonicContact OE1-NE 3.37Å; E465-R469 PolarHBondContact OE1-NE 3.39Å; E465-R469 IonicContact OE1-NH2 2.7Å; E465-R469 PolarHBondContact OE1-NH2 2.96Å; E465-R469 IonicContact OE2-NH2 3.65Å; H466-R469 PolarHBondContact O-N 2.99Å; R469-Q471 VanDerWaalsContact C-N 3.34Å; R469-Q471 PolarHBondContact O-N 3.17Å; R469-H472 PolarHBondContact O-N 3.07Å; R469-E473 WeakPolarHBondContact O-CB 3.28Å; R469-E473 PolarHBondContact O-N 2.85Å
470L74.9Confident71.8Confident84 Ų84108.1 Ų108.144%0.4453%0.533SS..Hα-helixtrans-67.3-32.5176-82.4164.5000112.8H466 L467 N474H466-L470 WeakPolarHBondContact O-CB 3.49Å; H466-L470 PolarHBondContact O-N 3.36Å; L467-L470 PolarHBondContact O-N 2.86Å; L470-N474 VanDerWaalsContact O-CB 3.26Å; L470-N474 WeakPolarHBondContact O-CB 3.49Å; L470-N474 PolarHBondContact O-N 3.28Å; L470-N474 PolarHBondContact O-ND2 3.44Å
471Q74.6Confident72.5Confident116 Ų116110.3 Ų110.354%0.54254%0.538SS..Hα-helixtrans-69.3-37.8171.8-81.8177.5-21.700111.4L467 I468 R469 K475L467-Q471 HydrophobicContact CG-CG 4.43Å; L467-Q471 WeakPolarHBondContact O-CB 3.34Å; L467-Q471 WeakPolarHBondContact O-CG 3.28Å; L467-Q471 PolarHBondContact O-N 3.43Å; I468-Q471 PolarHBondContact O-N 2.97Å; R469-Q471 VanDerWaalsContact C-N 3.34Å; R469-Q471 PolarHBondContact O-N 3.17Å; Q471-K475 WeakPolarHBondContact O-CB 3.34Å; Q471-K475 PolarHBondContact O-N 3.47Å
472H77.6Confident73.1Confident115 Ų115111.1 Ų111.153%0.53253%0.534SS..Hα-helixtrans-69.2-44.4175.6-167.668.8000111.3I468 R469 K475 M476I468-H472 VanDerWaalsContact O-CB 3.31Å; I468-H472 WeakPolarHBondContact O-CB 3.33Å; I468-H472 PolarHBondContact O-N 3.16Å; R469-H472 PolarHBondContact O-N 3.07Å; H472-K475 WeakPolarHBondContact O-CB 3.26Å; H472-K475 PolarHBondContact O-N 3.42Å; H472-M476 VanDerWaalsContact O-CG 3.3Å; H472-M476 WeakPolarHBondContact O-CG 3.49Å; H472-M476 PolarHBondContact O-N 2.94Å
473E79.5Confident73.5Confident115 Ų115106.1 Ų106.154%0.53752%0.519SS..Hα-helixtrans-63.1-44.9175.5-170.3176.3-179.800111.8R469 K475 M476 L477R469-E473 WeakPolarHBondContact O-CB 3.28Å; R469-E473 PolarHBondContact O-N 2.85Å; E473-K475 VanDerWaalsContact C-N 3.3Å; E473-K475 PolarHBondContact O-N 3.01Å; E473-M476 PolarHBondContact O-N 2.87Å; E473-L477 HydrophobicContact CG-CD1 4.26Å; E473-L477 WeakPolarHBondContact O-CB 3.49Å; E473-L477 WeakPolarHBondContact O-CG 3.42Å; E473-L477 PolarHBondContact O-N 2.93Å
474N70Confident74.1Confident98 Ų98104.5 Ų104.552%0.52452%0.517SS..Hα-helixtrans-61.7-36.4172.3-93-72.6000112.8L470 K478L470-N474 VanDerWaalsContact O-CB 3.26Å; L470-N474 WeakPolarHBondContact O-CB 3.49Å; L470-N474 PolarHBondContact O-N 3.28Å; L470-N474 PolarHBondContact O-ND2 3.44Å; N474-K478 WeakPolarHBondContact O-CB 3.49Å; N474-K478 PolarHBondContact O-N 3.23Å
475K80.6Confident74.7Confident135 Ų135101.7 Ų101.759%0.58751%0.512SS*.Hα-helixtrans-68-40.2176.5-173.6176.3-178.7179.70111.2Q471 H472 E473 K478 L479Q471-K475 WeakPolarHBondContact O-CB 3.34Å; Q471-K475 PolarHBondContact O-N 3.47Å; H472-K475 WeakPolarHBondContact O-CB 3.26Å; H472-K475 PolarHBondContact O-N 3.42Å; E473-K475 VanDerWaalsContact C-N 3.3Å; E473-K475 PolarHBondContact O-N 3.01Å; K475-K478 PolarHBondContact O-N 3.4Å; K475-L479 HydrophobicContact CG-CD1 4.38Å; K475-L479 WeakPolarHBondContact O-CG 3.42Å; K475-L479 PolarHBondContact O-N 3.4Å
476M76.4Confident75.2Confident102 Ų102101.6 Ų101.650%0.50252%0.515SS..Hα-helixtrans-69.6-39.8177-68.6-55-65.300112H472 E473 L479 A480H472-M476 VanDerWaalsContact O-CG 3.3Å; H472-M476 WeakPolarHBondContact O-CG 3.49Å; H472-M476 PolarHBondContact O-N 2.94Å; E473-M476 PolarHBondContact O-N 2.87Å; M476-L479 PolarHBondContact O-N 2.87Å; M476-L479 HydrophobicContact SD-CD1 4.39Å; M476-A480 PolarHBondContact O-N 3.18Å
477L72.4Confident75.7Confident104 Ų104103.4 Ų103.455%0.54552%0.524SS..Hα-helixtrans-65.4-39.7173.9-73.5169.4000112.1E473 A480 Q481E473-L477 HydrophobicContact CG-CD1 4.26Å; E473-L477 WeakPolarHBondContact O-CB 3.49Å; E473-L477 WeakPolarHBondContact O-CG 3.42Å; E473-L477 PolarHBondContact O-N 2.93Å; L477-A480 PolarHBondContact O-N 2.95Å; L477-Q481 WeakPolarHBondContact O-CB 3.45Å; L477-Q481 PolarHBondContact O-N 3.35Å
478K75.6Confident76.1Confident141 Ų141105.6 Ų105.661%0.61353%0.529SS*.Hα-helixtrans-61.4-44.4172.7-89.1-172.5173.3-1750112.8N474 K475 A480 Q481 E482N474-K478 WeakPolarHBondContact O-CB 3.49Å; N474-K478 PolarHBondContact O-N 3.23Å; K475-K478 PolarHBondContact O-N 3.4Å; K478-A480 VanDerWaalsContact C-N 3.34Å; K478-A480 PolarHBondContact O-N 3.46Å; K478-Q481 PolarHBondContact O-N 2.94Å; K478-E482 WeakPolarHBondContact O-CB 3.41Å; K478-E482 VanDerWaalsContact O-CG 3.28Å; K478-E482 WeakPolarHBondContact O-CG 3.3Å; K478-E482 PolarHBondContact O-N 3.46Å
479L75.6Confident76.5Confident91 Ų91104.4 Ų104.448%0.47652%0.523SS..Hα-helixtrans-65.5-36.6178.7-74.4167.2000112.4K475 M476 G483K475-L479 HydrophobicContact CG-CD1 4.38Å; K475-L479 WeakPolarHBondContact O-CG 3.42Å; K475-L479 PolarHBondContact O-N 3.4Å; M476-L479 PolarHBondContact O-N 2.87Å; M476-L479 HydrophobicContact SD-CD1 4.39Å; L479-G483 PolarHBondContact O-N 3.17Å
480A71.1Confident76.8Confident69 Ų69100.6 Ų100.657%0.5752%0.52SS*.Hα-helixtrans-68.4-39.5175.100000112.2M476 L477 K478 G483 S484M476-A480 PolarHBondContact O-N 3.18Å; L477-A480 PolarHBondContact O-N 2.95Å; K478-A480 VanDerWaalsContact C-N 3.34Å; K478-A480 PolarHBondContact O-N 3.46Å; A480-G483 PolarHBondContact O-N 2.88Å; A480-S484 PolarHBondContact O-N 3.48Å
481Q72.1Confident77.4Confident128 Ų128101.8 Ų101.860%0.59853%0.527SS*.Hα-helixtrans-66.4-44.3174.9-162.3103.223.500111.4L477 K478 G483 S484 D485L477-Q481 WeakPolarHBondContact O-CB 3.45Å; L477-Q481 PolarHBondContact O-N 3.35Å; K478-Q481 PolarHBondContact O-N 2.94Å; Q481-G483 VanDerWaalsContact C-N 3.28Å; Q481-G483 PolarHBondContact O-N 3.4Å; Q481-S484 PolarHBondContact O-N 3.5Å; Q481-D485 WeakPolarHBondContact O-CB 3.39Å; Q481-D485 PolarHBondContact O-N 3.02Å
482E75.5Confident77.9Confident103 Ų103101.3 Ų101.348%0.48153%0.527SS..Hα-helixtrans-61.5-33.3175.8-76.7171.4-171.500112.4K478 N486K478-E482 WeakPolarHBondContact O-CB 3.41Å; K478-E482 VanDerWaalsContact O-CG 3.28Å; K478-E482 WeakPolarHBondContact O-CG 3.3Å; K478-E482 PolarHBondContact O-N 3.46Å; E482-N486 WeakPolarHBondContact O-CB 3.35Å; E482-N486 PolarHBondContact O-N 3.18Å; E482-N486 PolarHBondContact O-ND2 3.22Å
483G73.8Confident78.2Confident31 Ų31101.1 Ų101.132%0.3253%0.526SS..Hα-helixtrans-64.4-50.7173.300000112.8L479 A480 Q481 D485 N486 E487L479-G483 PolarHBondContact O-N 3.17Å; A480-G483 PolarHBondContact O-N 2.88Å; Q481-G483 VanDerWaalsContact C-N 3.28Å; Q481-G483 PolarHBondContact O-N 3.4Å; G483-D485 VanDerWaalsContact C-N 3.34Å; G483-D485 PolarHBondContact O-N 3.19Å; G483-N486 PolarHBondContact O-N 2.96Å; G483-E487 PolarHBondContact O-N 2.97Å
484S74.4Confident78.6Confident73 Ų7398.3 Ų98.351%0.5152%0.52SS..Hα-helixtrans-64.1-38.1177.2176.40000112.3A480 Q481 K488A480-S484 PolarHBondContact O-N 3.48Å; Q481-S484 PolarHBondContact O-N 3.5Å; S484-K488 WeakPolarHBondContact O-CB 3.42Å; S484-K488 PolarHBondContact O-N 3.35Å; S484-K488 VanDerWaalsContact O-N 3.17Å
485D77.9Confident79.5Confident76 Ų7698.5 Ų98.541%0.40652%0.52SS..Hα-helixtrans-72.1-36.6177.9-72.3-22.5000111.3Q481 G483 K488 I489Q481-D485 WeakPolarHBondContact O-CB 3.39Å; Q481-D485 PolarHBondContact O-N 3.02Å; G483-D485 VanDerWaalsContact C-N 3.34Å; G483-D485 PolarHBondContact O-N 3.19Å; D485-K488 PolarHBondContact O-N 2.88Å; D485-I489 WeakPolarHBondContact O-CB 3.18Å; D485-I489 WeakPolarHBondContact O-CD1 3.41Å; D485-I489 WeakPolarHBondContact O-CG1 3.42Å; D485-I489 PolarHBondContact O-N 2.86Å
486N79.8Confident79.8Confident105 Ų10597.1 Ų97.156%0.56152%0.519SS*.Hα-helixtrans-65.3-40.5174.3-82.4-21.9000112.7E482 G483 K488 I489 A490E482-N486 WeakPolarHBondContact O-CB 3.35Å; E482-N486 PolarHBondContact O-N 3.18Å; E482-N486 PolarHBondContact O-ND2 3.22Å; G483-N486 PolarHBondContact O-N 2.96Å; N486-K488 VanDerWaalsContact C-N 3.32Å; N486-K488 PolarHBondContact O-N 3.4Å; N486-I489 PolarHBondContact O-N 3.24Å; N486-A490 WeakPolarHBondContact O-CB 3.39Å; N486-A490 PolarHBondContact O-N 2.93Å
487E81.7Confident80.4Confident150 Ų15098.7 Ų98.770%0.70153%0.525SS*.Hα-helixtrans-63.5-40.4174.6-74.2178.3-17700111.5G483 A490 L491G483-E487 PolarHBondContact O-N 2.97Å; E487-A490 PolarHBondContact O-N 3.28Å; E487-L491 WeakPolarHBondContact O-CB 3.49Å; E487-L491 PolarHBondContact O-N 3.12Å
488K82.5Confident81.2Confident140 Ų14098.4 Ų98.461%0.60952%0.524SS*.Hα-helixtrans-68.2-38.1176.3-164172-175.51770112.3S484 D485 N486 L492S484-K488 WeakPolarHBondContact O-CB 3.42Å; S484-K488 PolarHBondContact O-N 3.35Å; S484-K488 VanDerWaalsContact O-N 3.17Å; D485-K488 PolarHBondContact O-N 2.88Å; N486-K488 VanDerWaalsContact C-N 3.32Å; N486-K488 PolarHBondContact O-N 3.4Å; K488-L492 HydrophobicContact CG-CD1 4.44Å; K488-L492 WeakPolarHBondContact O-CB 3.25Å; K488-L492 VanDerWaalsContact O-CG 3.26Å; K488-L492 WeakPolarHBondContact O-CG 3.35Å; K488-L492 PolarHBondContact O-N 3.47Å
489I83.2Confident81.7Confident83 Ų8394.4 Ų94.443%0.42652%0.517SS..Hα-helixtrans-65.5-44.5174.3-71.5162.9000110.4D485 N486 L491 L492 Q493D485-I489 WeakPolarHBondContact O-CB 3.18Å; D485-I489 WeakPolarHBondContact O-CD1 3.41Å; D485-I489 WeakPolarHBondContact O-CG1 3.42Å; D485-I489 PolarHBondContact O-N 2.86Å; N486-I489 PolarHBondContact O-N 3.24Å; I489-L491 PolarHBondContact O-N 3.07Å; I489-L492 PolarHBondContact O-N 3.4Å; I489-Q493 HydrophobicContact CG2-CG 4.31Å; I489-Q493 WeakPolarHBondContact O-CB 3.48Å; I489-Q493 VanDerWaalsContact O-CG 3.29Å; I489-Q493 WeakPolarHBondContact O-CG 3.37Å; I489-Q493 PolarHBondContact O-N 3.29Å
490A84.7Confident82.3Confident54 Ų5493.8 Ų93.845%0.44651%0.514SS..Hα-helixtrans-62.7-41.6178.200000112N486 E487 Q493 S494N486-A490 WeakPolarHBondContact O-CB 3.39Å; N486-A490 PolarHBondContact O-N 2.93Å; E487-A490 PolarHBondContact O-N 3.28Å; A490-Q493 PolarHBondContact O-N 2.56Å; A490-S494 PolarHBondContact O-N 3.36Å
491L86Confident83.2Confident109 Ų10998.3 Ų98.357%0.57152%0.516SS*.Hα-helixtrans-64.6-42.6174.7-176.764.5000111.9E487 I489 Q493 S494 L495E487-L491 WeakPolarHBondContact O-CB 3.49Å; E487-L491 PolarHBondContact O-N 3.12Å; I489-L491 PolarHBondContact O-N 3.07Å; L491-Q493 VanDerWaalsContact C-N 3.34Å; L491-S494 PolarHBondContact O-N 3.02Å; L491-L495 HydrophobicContact CG-CD1 4.29Å; L491-L495 WeakPolarHBondContact O-CG 3.5Å; L491-L495 PolarHBondContact O-N 3.34Å
492L85.3Confident84Confident105 Ų105100.5 Ų100.555%0.5552%0.519SS..Hα-helixtrans-66-36176.1-74.5170.9000112.3K488 I489 L496K488-L492 HydrophobicContact CG-CD1 4.44Å; K488-L492 WeakPolarHBondContact O-CB 3.25Å; K488-L492 VanDerWaalsContact O-CG 3.26Å; K488-L492 WeakPolarHBondContact O-CG 3.35Å; K488-L492 PolarHBondContact O-N 3.47Å; I489-L492 PolarHBondContact O-N 3.4Å; L492-L496 VanDerWaalsContact O-CB 3.25Å; L492-L496 WeakPolarHBondContact O-CB 3.31Å; L492-L496 PolarHBondContact O-N 3.01Å
493Q84.2Confident84.7Confident111 Ų111101.2 Ų101.252%0.51952%0.521SS..Hα-helixtrans-65.3-45.6174.3-77.4173.5-16.300111.3I489 A490 L491 L495 L496 E497I489-Q493 HydrophobicContact CG2-CG 4.31Å; I489-Q493 WeakPolarHBondContact O-CB 3.48Å; I489-Q493 VanDerWaalsContact O-CG 3.29Å; I489-Q493 WeakPolarHBondContact O-CG 3.37Å; I489-Q493 PolarHBondContact O-N 3.29Å; A490-Q493 PolarHBondContact O-N 2.56Å; L491-Q493 VanDerWaalsContact C-N 3.34Å; Q493-L495 PolarHBondContact O-N 3.25Å; Q493-L496 PolarHBondContact O-N 3.39Å; Q493-E497 WeakPolarHBondContact O-CB 3.45Å; Q493-E497 WeakPolarHBondContact O-CG 3.34Å; Q493-E497 PolarHBondContact O-N 2.93Å
494S87.9Confident85.3Confident57 Ų57102.9 Ų102.940%0.39953%0.527SS..Hα-helixtrans-61.5-43.8175.6172.40000112.1A490 L491 L496 E497 D498A490-S494 PolarHBondContact O-N 3.36Å; L491-S494 PolarHBondContact O-N 3.02Å; S494-L496 VanDerWaalsContact C-N 3.33Å; S494-L496 PolarHBondContact O-N 3.42Å; S494-E497 PolarHBondContact O-N 3.17Å; S494-D498 PolarHBondContact O-N 3.08Å
495L88.8Confident86Confident101 Ų101103 Ų10353%0.52952%0.519SS..Hα-helixtrans-65.8-35.2175.9-72.2171.9000112.6L491 Q493 A499L491-L495 HydrophobicContact CG-CD1 4.29Å; L491-L495 WeakPolarHBondContact O-CG 3.5Å; L491-L495 PolarHBondContact O-N 3.34Å; Q493-L495 PolarHBondContact O-N 3.25Å; L495-A499 VanDerWaalsContact O-CB 3.26Å; L495-A499 WeakPolarHBondContact O-CB 3.49Å; L495-A499 PolarHBondContact O-N 3.23Å
496L87.4Confident86.5Confident107 Ų107104.1 Ų104.156%0.5653%0.525SS*.Hα-helixtrans-69-40.2175.5-172.673.4000111.3L492 Q493 S494 A499 N500L492-L496 VanDerWaalsContact O-CB 3.25Å; L492-L496 WeakPolarHBondContact O-CB 3.31Å; L492-L496 PolarHBondContact O-N 3.01Å; Q493-L496 PolarHBondContact O-N 3.39Å; S494-L496 VanDerWaalsContact C-N 3.33Å; S494-L496 PolarHBondContact O-N 3.42Å; L496-A499 PolarHBondContact O-N 3.02Å; L496-N500 VanDerWaalsContact O-CB 3.29Å; L496-N500 WeakPolarHBondContact O-CB 3.47Å; L496-N500 VanDerWaalsContact O-CG 3.26Å; L496-N500 PolarHBondContact O-N 2.92Å; L496-N500 PolarHBondContact O-ND2 2.92Å; L496-N500 VanDerWaalsContact O-ND2 3.15Å
497E88.9Confident86.8Confident134 Ų134103.3 Ų103.363%0.62652%0.518SS*.Hα-helixtrans-63.5-45.4174.6-77.5176.9-178.300111.5Q493 S494 A499 N500 R501Q493-E497 WeakPolarHBondContact O-CB 3.45Å; Q493-E497 WeakPolarHBondContact O-CG 3.34Å; Q493-E497 PolarHBondContact O-N 2.93Å; S494-E497 PolarHBondContact O-N 3.17Å; E497-A499 PolarHBondContact O-N 3.21Å; E497-N500 PolarHBondContact O-N 2.87Å; E497-R501 WeakPolarHBondContact O-CB 3.25Å; E497-R501 PolarHBondContact O-N 3.08Å
498D88.8Confident87Confident99 Ų9999.8 Ų99.853%0.52951%0.507SS..Hα-helixtrans-63.4-41.9175.4-83.3-16.1000112.1S494 R501 R502S494-D498 PolarHBondContact O-N 3.08Å; D498-R501 PolarHBondContact O-N 3.02Å; D498-R502 WeakPolarHBondContact O-CB 3.48Å; D498-R502 PolarHBondContact O-N 3.01Å
499A87.1Confident87.3Confident56 Ų5698.5 Ų98.546%0.46350%0.503SS..Hα-helixtrans-63.5-41.2174.900000111.9L495 L496 E497 R502 K503L495-A499 VanDerWaalsContact O-CB 3.26Å; L495-A499 WeakPolarHBondContact O-CB 3.49Å; L495-A499 PolarHBondContact O-N 3.23Å; L496-A499 PolarHBondContact O-N 3.02Å; E497-A499 PolarHBondContact O-N 3.21Å; A499-R502 PolarHBondContact O-N 2.91Å; A499-K503 WeakPolarHBondContact O-CB 3Å; A499-K503 PolarHBondContact O-N 3.04Å
500N87.2Confident87.3Confident78 Ų7899 Ų9942%0.41751%0.506SS..Hα-helixtrans-68.8-36176.7-79.6-33.6000112.5L496 E497 K503 S504L496-N500 VanDerWaalsContact O-CB 3.29Å; L496-N500 WeakPolarHBondContact O-CB 3.47Å; L496-N500 VanDerWaalsContact O-CG 3.26Å; L496-N500 PolarHBondContact O-N 2.92Å; L496-N500 PolarHBondContact O-ND2 2.92Å; L496-N500 VanDerWaalsContact O-ND2 3.15Å; E497-N500 PolarHBondContact O-N 2.87Å; N500-K503 PolarHBondContact O-N 3.02Å; N500-S504 WeakPolarHBondContact O-CB 3.5Å; N500-S504 PolarHBondContact O-N 2.75Å; N500-S504 PolarHBondContact O-OG 3.4Å
501R90.1Very high87.6Confident165 Ų165105 Ų10562%0.62352%0.518SS*.Hα-helixtrans-63.8-48.2174.1-171.8171.6-175.3-98.9-7.3110.6E497 D498 K503 S504 E505E497-R501 WeakPolarHBondContact O-CB 3.25Å; E497-R501 PolarHBondContact O-N 3.08Å; D498-R501 PolarHBondContact O-N 3.02Å; R501-K503 VanDerWaalsContact C-N 3.32Å; R501-K503 PolarHBondContact O-N 3.02Å; R501-S504 PolarHBondContact O-N 3.09Å; R501-E505 IonicContact CZ-OE1 3.6Å; R501-E505 IonicContact NE-OE1 2.79Å; R501-E505 IonicContact NH1-OE1 2.74Å; R501-E505 IonicContact NH2-OE1 3.51Å; R501-E505 WeakPolarHBondContact O-CG 3.36Å; R501-E505 PolarHBondContact O-N 3.4Å
502R89.3Confident87.6Confident174 Ų174104.6 Ų104.666%0.65752%0.515SS*.Hα-helixtrans-63.3-37.5176.4-164.1171.5-17285.91112.5D498 A499 L506D498-R502 WeakPolarHBondContact O-CB 3.48Å; D498-R502 PolarHBondContact O-N 3.01Å; A499-R502 PolarHBondContact O-N 2.91Å; R502-L506 WeakPolarHBondContact O-CG 3.46Å; R502-L506 PolarHBondContact O-N 3Å
503K89.4Confident87.7Confident118 Ų118104.5 Ų104.551%0.51352%0.515SS..Hα-helixtrans-63.1-44.7173.2-175.4-176.5174.7-166.60111.5A499 N500 R501 L506 E507A499-K503 WeakPolarHBondContact O-CB 3Å; A499-K503 PolarHBondContact O-N 3.04Å; N500-K503 PolarHBondContact O-N 3.02Å; R501-K503 VanDerWaalsContact C-N 3.32Å; R501-K503 PolarHBondContact O-N 3.02Å; K503-L506 PolarHBondContact O-N 3.33Å; K503-E507 WeakPolarHBondContact CE-OE1 3.45Å; K503-E507 IonicContact NZ-OE1 3.77Å; K503-E507 WeakPolarHBondContact O-CB 3.41Å; K503-E507 WeakPolarHBondContact O-CG 3.22Å; K503-E507 PolarHBondContact O-N 3.38Å
504S87.4Confident87.7Confident65 Ų65103 Ų10346%0.45551%0.51SS..Hα-helixtrans-64.7-40.5178.7-57.80000111.9N500 R501 E507 T508N500-S504 WeakPolarHBondContact O-CB 3.5Å; N500-S504 PolarHBondContact O-N 2.75Å; N500-S504 PolarHBondContact O-OG 3.4Å; R501-S504 PolarHBondContact O-N 3.09Å; S504-E507 PolarHBondContact O-N 2.96Å; S504-T508 WeakPolarHBondContact O-CG2 3.19Å; S504-T508 PolarHBondContact O-N 3Å; S504-T508 PolarHBondContact O-OG1 3.12Å
505E88.8Confident87.5Confident75 Ų75105.5 Ų105.535%0.3552%0.515SS..Hα-helixtrans-59.4-51.2173.4-72.9168.6-177.700110.8R501 E507 T508 E509R501-E505 IonicContact CZ-OE1 3.6Å; R501-E505 IonicContact NE-OE1 2.79Å; R501-E505 IonicContact NH1-OE1 2.74Å; R501-E505 IonicContact NH2-OE1 3.51Å; R501-E505 WeakPolarHBondContact O-CG 3.36Å; R501-E505 PolarHBondContact O-N 3.4Å; E505-E507 VanDerWaalsContact C-N 3.33Å; E505-E507 PolarHBondContact O-N 3.36Å; E505-T508 PolarHBondContact O-N 2.86Å; E505-T508 VanDerWaalsContact O-N 3.1Å; E505-T508 PolarHBondContact O-OG1 2.89Å; E505-E509 PolarHBondContact O-N 3.43Å
506L88.1Confident87.4Confident101 Ų101109.4 Ų109.453%0.52952%0.523SS..Hα-helixtrans-61.6-38.5176.8-72.3171.9000112.6R502 K503 T508 E509 N510R502-L506 WeakPolarHBondContact O-CG 3.46Å; R502-L506 PolarHBondContact O-N 3Å; K503-L506 PolarHBondContact O-N 3.33Å; L506-T508 VanDerWaalsContact C-N 3.32Å; L506-T508 PolarHBondContact O-N 3.36Å; L506-E509 PolarHBondContact O-N 3.29Å; L506-N510 WeakPolarHBondContact O-CB 3.41Å; L506-N510 PolarHBondContact O-N 3.11Å
507E86.6Confident87.3Confident88 Ų88108.3 Ų108.341%0.41152%0.517SS..Hα-helixtrans-63.6-37.4174.7-77.7178.3-177.800112K503 S504 E505 R511K503-E507 WeakPolarHBondContact CE-OE1 3.45Å; K503-E507 IonicContact NZ-OE1 3.77Å; K503-E507 WeakPolarHBondContact O-CB 3.41Å; K503-E507 WeakPolarHBondContact O-CG 3.22Å; K503-E507 PolarHBondContact O-N 3.38Å; S504-E507 PolarHBondContact O-N 2.96Å; E505-E507 VanDerWaalsContact C-N 3.33Å; E505-E507 PolarHBondContact O-N 3.36Å; E507-R511 WeakPolarHBondContact O-CG 3.33Å; E507-R511 PolarHBondContact O-N 2.88Å
508T86.3Confident87Confident75 Ų75108.2 Ų108.246%0.4652%0.518SS..Hα-helixtrans-70.5-42.6176.6630000112.1S504 E505 L506 N510 R511 L512S504-T508 WeakPolarHBondContact O-CG2 3.19Å; S504-T508 PolarHBondContact O-N 3Å; S504-T508 PolarHBondContact O-OG1 3.12Å; E505-T508 PolarHBondContact O-N 2.86Å; E505-T508 VanDerWaalsContact O-N 3.1Å; E505-T508 PolarHBondContact O-OG1 2.89Å; L506-T508 VanDerWaalsContact C-N 3.32Å; L506-T508 PolarHBondContact O-N 3.36Å; T508-N510 VanDerWaalsContact C-N 3.33Å; T508-N510 PolarHBondContact O-N 2.96Å; T508-R511 PolarHBondContact O-N 3.01Å; T508-L512 WeakPolarHBondContact O-CG 3.48Å; T508-L512 PolarHBondContact O-N 3.07Å
509E87.7Confident86.8Confident113 Ų113108.3 Ų108.353%0.52852%0.516SS..Hα-helixtrans-62.1-42.7173.3-73.3-175.5168.600110.9E505 L506 R511 L512 I513E505-E509 PolarHBondContact O-N 3.43Å; L506-E509 PolarHBondContact O-N 3.29Å; E509-R511 VanDerWaalsContact C-N 3.34Å; E509-R511 PolarHBondContact O-N 3.06Å; E509-L512 PolarHBondContact O-N 3.23Å; E509-I513 WeakPolarHBondContact O-CB 3.34Å; E509-I513 VanDerWaalsContact O-CG1 3.26Å; E509-I513 WeakPolarHBondContact O-CG1 3.42Å; E509-I513 PolarHBondContact O-N 3.23Å
510N82.8Confident86.4Confident93 Ų93112 Ų11250%0.49752%0.523SS..Hα-helixtrans-64.3-38.6177.8-150.6-65.3000111.6L506 T508 I513 N514L506-N510 WeakPolarHBondContact O-CB 3.41Å; L506-N510 PolarHBondContact O-N 3.11Å; T508-N510 VanDerWaalsContact C-N 3.33Å; T508-N510 PolarHBondContact O-N 2.96Å; N510-I513 PolarHBondContact O-N 3.08Å; N510-N514 VanDerWaalsContact O-CB 3.32Å; N510-N514 WeakPolarHBondContact O-CB 3.45Å; N510-N514 VanDerWaalsContact O-CG 3.23Å; N510-N514 PolarHBondContact O-N 2.91Å; N510-N514 PolarHBondContact O-ND2 3.2Å; N510-N514 PolarHBondContact OD1-ND2 3.13Å
511R91.1Very high85.9Confident181 Ų181113 Ų11368%0.68353%0.526SS*.Hα-helixtrans-62.6-44.3172.1-77.7178.7-174179.45112.3E507 T508 E509 N514 Q515E507-R511 WeakPolarHBondContact O-CG 3.33Å; E507-R511 PolarHBondContact O-N 2.88Å; T508-R511 PolarHBondContact O-N 3.01Å; E509-R511 VanDerWaalsContact C-N 3.34Å; E509-R511 PolarHBondContact O-N 3.06Å; R511-N514 PolarHBondContact O-N 3.31Å; R511-Q515 WeakPolarHBondContact O-CB 3.38Å; R511-Q515 PolarHBondContact O-N 3.32Å
512L87.4Confident85.4Confident100 Ų100108.4 Ų108.452%0.52452%0.518SS..Hα-helixtrans-65.8-40.8178.2-72.7169.5000111.9T508 E509 Q515 R516T508-L512 WeakPolarHBondContact O-CG 3.48Å; T508-L512 PolarHBondContact O-N 3.07Å; E509-L512 PolarHBondContact O-N 3.23Å; L512-Q515 PolarHBondContact O-N 2.86Å; L512-R516 PolarHBondContact O-N 3.16Å
513I87.3Confident85Confident104 Ų104105.3 Ų105.353%0.53351%0.512SS..Hα-helixtrans-65-44.9175.3-69.2167.1000110.2E509 N510 Q515 R516 L517E509-I513 WeakPolarHBondContact O-CB 3.34Å; E509-I513 VanDerWaalsContact O-CG1 3.26Å; E509-I513 WeakPolarHBondContact O-CG1 3.42Å; E509-I513 PolarHBondContact O-N 3.23Å; N510-I513 PolarHBondContact O-N 3.08Å; I513-Q515 VanDerWaalsContact C-N 3.29Å; I513-Q515 PolarHBondContact O-N 3.35Å; I513-R516 PolarHBondContact O-N 3.22Å; I513-L517 WeakPolarHBondContact O-CB 3.44Å; I513-L517 PolarHBondContact O-N 3.45Å
514N82.4Confident84.5Confident78 Ų78103.4 Ų103.442%0.41751%0.51SS..Hα-helixtrans-64.3-33.9176-74.3-35000112.4N510 R511 L517 M518N510-N514 VanDerWaalsContact O-CB 3.32Å; N510-N514 WeakPolarHBondContact O-CB 3.45Å; N510-N514 VanDerWaalsContact O-CG 3.23Å; N510-N514 PolarHBondContact O-N 2.91Å; N510-N514 PolarHBondContact O-ND2 3.2Å; N510-N514 PolarHBondContact OD1-ND2 3.13Å; R511-N514 PolarHBondContact O-N 3.31Å; N514-L517 PolarHBondContact O-N 3.49Å; N514-M518 WeakPolarHBondContact O-CB 3.48Å; N514-M518 VanDerWaalsContact O-CG 3.28Å; N514-M518 WeakPolarHBondContact O-CG 3.28Å; N514-M518 PolarHBondContact O-N 3.3Å
515Q85.6Confident84.2Confident111 Ų111106.9 Ų106.952%0.51952%0.519SS..Hα-helixtrans-66.9-44.6174.2-168.8170.413.700111.4R511 L512 I513 L517 M518 E519R511-Q515 WeakPolarHBondContact O-CB 3.38Å; R511-Q515 PolarHBondContact O-N 3.32Å; L512-Q515 PolarHBondContact O-N 2.86Å; I513-Q515 VanDerWaalsContact C-N 3.29Å; I513-Q515 PolarHBondContact O-N 3.35Å; Q515-L517 VanDerWaalsContact C-N 3.32Å; Q515-L517 PolarHBondContact O-N 3.41Å; Q515-M518 PolarHBondContact O-N 2.91Å; Q515-E519 WeakPolarHBondContact O-CG 3.47Å; Q515-E519 PolarHBondContact O-N 2.99Å
516R86Confident83.8Confident182 Ų182109.3 Ų109.369%0.68753%0.53SS*.Hα-helixtrans-63-38.5172.1-73.5-172.4-165-168.65112.5L512 I513 M518 E519 E520L512-R516 PolarHBondContact O-N 3.16Å; I513-R516 PolarHBondContact O-N 3.22Å; R516-M518 VanDerWaalsContact C-N 3.33Å; R516-E519 PolarHBondContact O-N 2.9Å; R516-E520 PolarHBondContact O-N 2.95Å
517L85.7Confident83.2Confident85 Ų85109.9 Ų109.945%0.44553%0.533SS..Hα-helixtrans-63.4-41.8176.7-163.694.5000110.6I513 N514 Q515 Q521I513-L517 WeakPolarHBondContact O-CB 3.44Å; I513-L517 PolarHBondContact O-N 3.45Å; N514-L517 PolarHBondContact O-N 3.49Å; Q515-L517 VanDerWaalsContact C-N 3.32Å; Q515-L517 PolarHBondContact O-N 3.41Å; L517-Q521 WeakPolarHBondContact O-CB 3.35Å; L517-Q521 WeakPolarHBondContact O-CG 3.46Å; L517-Q521 PolarHBondContact O-N 3.17Å
518M82.8Confident82.5Confident131 Ų131111.5 Ų111.565%0.64554%0.541SS*.Hα-helixtrans-65.9-38.4174.4-75.8-87-74.800112.1N514 Q515 R516 S522N514-M518 WeakPolarHBondContact O-CB 3.48Å; N514-M518 VanDerWaalsContact O-CG 3.28Å; N514-M518 WeakPolarHBondContact O-CG 3.28Å; N514-M518 PolarHBondContact O-N 3.3Å; Q515-M518 PolarHBondContact O-N 2.91Å; R516-M518 VanDerWaalsContact C-N 3.33Å; M518-S522 VanDerWaalsContact O-CB 3.26Å; M518-S522 WeakPolarHBondContact O-CB 3.3Å; M518-S522 PolarHBondContact O-N 2.86Å
519E84.6Confident81.8Confident101 Ų101114 Ų11447%0.47255%0.545SS..Hα-helixtrans-66.7-44.7175-74.9169.8-173.900111.8Q515 R516 S522 Q523Q515-E519 WeakPolarHBondContact O-CG 3.47Å; Q515-E519 PolarHBondContact O-N 2.99Å; R516-E519 PolarHBondContact O-N 2.9Å; E519-S522 PolarHBondContact O-N 3.5Å; E519-Q523 VanDerWaalsContact O-CG 3.31Å; E519-Q523 WeakPolarHBondContact O-CG 3.43Å; E519-Q523 PolarHBondContact O-N 3.01Å
520E77.8Confident80.8Confident133 Ų133111.6 Ų111.662%0.62154%0.538SS*.Hα-helixtrans-67.1-39.9174.3-77.1-155.5168.500111.9R516 S522 Q523 V524R516-E520 PolarHBondContact O-N 2.95Å; E520-S522 VanDerWaalsContact C-N 3.33Å; E520-S522 PolarHBondContact O-N 3.25Å; E520-Q523 PolarHBondContact O-N 3.33Å; E520-V524 WeakPolarHBondContact O-CB 3.4Å; E520-V524 VanDerWaalsContact O-CG2 3.25Å; E520-V524 WeakPolarHBondContact O-CG2 3.2Å; E520-V524 PolarHBondContact O-N 2.89Å
521Q77.8Confident79.8Confident101 Ų101112.1 Ų112.147%0.47254%0.544SS..Hα-helixtrans-62.8-40.3173.7-78.6174-10.500111.4L517 V524 E525L517-Q521 WeakPolarHBondContact O-CB 3.35Å; L517-Q521 WeakPolarHBondContact O-CG 3.46Å; L517-Q521 PolarHBondContact O-N 3.17Å; Q521-V524 PolarHBondContact O-N 3.39Å; Q521-E525 WeakPolarHBondContact O-CB 3.47Å; Q521-E525 PolarHBondContact O-N 3.44Å
522S79.5Confident78.3Confident67 Ų67110.8 Ų110.847%0.46955%0.546SS..Hα-helixtrans-64.3-40.3173.6-178.80000111.7M518 E519 E520 E526M518-S522 VanDerWaalsContact O-CB 3.26Å; M518-S522 WeakPolarHBondContact O-CB 3.3Å; M518-S522 PolarHBondContact O-N 2.86Å; E519-S522 PolarHBondContact O-N 3.5Å; E520-S522 VanDerWaalsContact C-N 3.33Å; E520-S522 PolarHBondContact O-N 3.25Å; S522-E526 WeakPolarHBondContact O-CB 3.22Å; S522-E526 PolarHBondContact O-N 3.41Å
523Q79.3Confident76.8Confident110 Ų110110.1 Ų110.151%0.51454%0.54SS..Hα-helixtrans-68.3-37.2175.9-73.8174.727.700111.6E519 E520 E526 L527E519-Q523 VanDerWaalsContact O-CG 3.31Å; E519-Q523 WeakPolarHBondContact O-CG 3.43Å; E519-Q523 PolarHBondContact O-N 3.01Å; E520-Q523 PolarHBondContact O-N 3.33Å; Q523-E526 PolarHBondContact O-N 3.46Å; Q523-L527 VanDerWaalsContact O-CB 3.29Å; Q523-L527 WeakPolarHBondContact O-CB 3.33Å; Q523-L527 WeakPolarHBondContact O-CG 3.44Å; Q523-L527 PolarHBondContact O-N 2.88Å
524V80.2Confident74.9Confident78 Ų78111.9 Ų111.947%0.47355%0.546SS..Hα-helixtrans-70.2-40.8175.3171.20000111.1E520 Q521 L527 Q528E520-V524 WeakPolarHBondContact O-CB 3.4Å; E520-V524 VanDerWaalsContact O-CG2 3.25Å; E520-V524 WeakPolarHBondContact O-CG2 3.2Å; E520-V524 PolarHBondContact O-N 2.89Å; Q521-V524 PolarHBondContact O-N 3.39Å; V524-L527 PolarHBondContact O-N 3.23Å; V524-Q528 VanDerWaalsContact O-CB 3.29Å; V524-Q528 WeakPolarHBondContact O-CB 3.44Å; V524-Q528 WeakPolarHBondContact O-CG 3.28Å; V524-Q528 PolarHBondContact O-N 3.04Å
525E81.3Confident73.2Confident138 Ų138111.5 Ų111.565%0.64556%0.561SS**Hα-helixtrans-65.4-38.7172.3-86.4-171.7159.700111.5Q521 Q528 K529Q521-E525 WeakPolarHBondContact O-CB 3.47Å; Q521-E525 PolarHBondContact O-N 3.44Å; E525-Q528 PolarHBondContact O-N 2.89Å; E525-K529 WeakPolarHBondContact O-CB 3.45Å; E525-K529 PolarHBondContact O-N 2.79Å
526E79Confident71.5Confident125 Ų125110.4 Ų110.458%0.58457%0.565SS**Hα-helixtrans-67.1-41.4175-172.4171.2-165.400111S522 Q523 K529 T530S522-E526 WeakPolarHBondContact O-CB 3.22Å; S522-E526 PolarHBondContact O-N 3.41Å; Q523-E526 PolarHBondContact O-N 3.46Å; E526-K529 PolarHBondContact O-N 2.88Å; E526-T530 VanDerWaalsContact O-CB 3.24Å; E526-T530 WeakPolarHBondContact O-CB 3.47Å; E526-T530 PolarHBondContact O-N 3.2Å; E526-T530 PolarHBondContact O-OG1 2.95Å
527L75.4Confident69.7Low113 Ų113108.2 Ų108.259%0.59256%0.561SS**Hα-helixtrans-67.3-41.4173.4-73.8168.9000111.9Q523 V524 T530 V531Q523-L527 VanDerWaalsContact O-CB 3.29Å; Q523-L527 WeakPolarHBondContact O-CB 3.33Å; Q523-L527 WeakPolarHBondContact O-CG 3.44Å; Q523-L527 PolarHBondContact O-N 2.88Å; V524-L527 PolarHBondContact O-N 3.23Å; L527-T530 PolarHBondContact O-N 2.93Å; L527-V531 WeakPolarHBondContact O-CB 3.46Å; L527-V531 VanDerWaalsContact O-CG2 3.22Å; L527-V531 WeakPolarHBondContact O-CG2 3.43Å; L527-V531 PolarHBondContact O-N 2.73Å
528Q71.9Confident68Low123 Ų123109.2 Ų109.258%0.57558%0.581SS**Hα-helixtrans-64.4-41.5174.1-84.2-178.3-2000111.5V524 E525 V531 Q532V524-Q528 VanDerWaalsContact O-CB 3.29Å; V524-Q528 WeakPolarHBondContact O-CB 3.44Å; V524-Q528 WeakPolarHBondContact O-CG 3.28Å; V524-Q528 PolarHBondContact O-N 3.04Å; E525-Q528 PolarHBondContact O-N 2.89Å; Q528-V531 PolarHBondContact O-N 3.31Å; Q528-Q532 VanDerWaalsContact O-CB 3.23Å; Q528-Q532 WeakPolarHBondContact O-CB 3.29Å; Q528-Q532 PolarHBondContact O-N 2.94Å
529K72.2Confident66.7Low128 Ų128109.1 Ų109.156%0.55758%0.583SS**Hα-helixtrans-68.1-36.6175.1-171.7176.6176.8-175.50111.4E525 E526 Q532 E533E525-K529 WeakPolarHBondContact O-CB 3.45Å; E525-K529 PolarHBondContact O-N 2.79Å; E526-K529 PolarHBondContact O-N 2.88Å; K529-Q532 PolarHBondContact O-N 3.43Å; K529-E533 WeakPolarHBondContact CE-OE1 3.36Å; K529-E533 HydrophobicContact CG-CG 4.27Å; K529-E533 WeakPolarHBondContact O-CB 3.35Å; K529-E533 VanDerWaalsContact O-CG 3.29Å; K529-E533 WeakPolarHBondContact O-CG 3.39Å; K529-E533 PolarHBondContact O-N 3.03Å
530T66.6Low65Low62 Ų62109.8 Ų109.838%0.3859%0.59SS.*Hα-helixtrans-66.6-39.8174-55.30000111E526 L527 Q534E526-T530 VanDerWaalsContact O-CB 3.24Å; E526-T530 WeakPolarHBondContact O-CB 3.47Å; E526-T530 PolarHBondContact O-N 3.2Å; E526-T530 PolarHBondContact O-OG1 2.95Å; L527-T530 PolarHBondContact O-N 2.93Å; T530-Q534 VanDerWaalsContact O-CB 3.22Å; T530-Q534 WeakPolarHBondContact O-CB 3.3Å; T530-Q534 VanDerWaalsContact O-CG 3.24Å; T530-Q534 WeakPolarHBondContact O-CG 3.25Å; T530-Q534 PolarHBondContact O-N 3.12Å
531V63.2Low63.7Low103 Ų103107.3 Ų107.362%0.62459%0.588SS**Hα-helixtrans-69.4-36.5174.4169.80000111.6L527 Q528 G535L527-V531 WeakPolarHBondContact O-CB 3.46Å; L527-V531 VanDerWaalsContact O-CG2 3.22Å; L527-V531 WeakPolarHBondContact O-CG2 3.43Å; L527-V531 PolarHBondContact O-N 2.73Å; Q528-V531 PolarHBondContact O-N 3.31Å; V531-G535 PolarHBondContact O-N 3.34Å
532Q58.9Low62.6Low153 Ų153105.8 Ų105.872%0.71559%0.588SS**Hα-helixtrans-77-34.2178.1-164.4117.730.100112.8Q528 K529 G535 S536Q528-Q532 VanDerWaalsContact O-CB 3.23Å; Q528-Q532 WeakPolarHBondContact O-CB 3.29Å; Q528-Q532 PolarHBondContact O-N 2.94Å; K529-Q532 PolarHBondContact O-N 3.43Å; Q532-G535 PolarHBondContact O-N 2.96Å; Q532-S536 PolarHBondContact O-N 3.29Å; Q532-S536 PolarHBondContact O-OG 3.03Å
533E55.7Low61.8Low86 Ų86106 Ų10640%0.40259%0.587SS.*Hα-helixtrans-74.1-33.3172.3-74.9-178-179.600111.6K529 G535 S536 K537K529-E533 WeakPolarHBondContact CE-OE1 3.36Å; K529-E533 HydrophobicContact CG-CG 4.27Å; K529-E533 WeakPolarHBondContact O-CB 3.35Å; K529-E533 VanDerWaalsContact O-CG 3.29Å; K529-E533 WeakPolarHBondContact O-CG 3.39Å; K529-E533 PolarHBondContact O-N 3.03Å; E533-G535 PolarHBondContact O-N 2.99Å; E533-S536 WeakPolarHBondContact CA-OG 3.17Å; E533-S536 PolarHBondContact O-N 3.34Å; E533-S536 VanDerWaalsContact O-N 3.12Å; E533-S536 PolarHBondContact O-OG 2.89Å; E533-K537 PolarHBondContact O-N 3.46Å
534Q48.3Very low60.7Low141 Ų141106.9 Ų106.966%0.65959%0.594SS**Hα-helixtrans-67.1-21.8168.2-81-175.82.500113.1T530T530-Q534 VanDerWaalsContact O-CB 3.22Å; T530-Q534 WeakPolarHBondContact O-CB 3.3Å; T530-Q534 VanDerWaalsContact O-CG 3.24Å; T530-Q534 WeakPolarHBondContact O-CG 3.25Å; T530-Q534 PolarHBondContact O-N 3.12Å
535G45.3Very low59.9Low71 Ų71109.3 Ų109.373%0.73260%0.598SS**THydrogen-bonded Turntrans-80.2-11.4170.200000114.8V531 Q532 E533V531-G535 PolarHBondContact O-N 3.34Å; Q532-G535 PolarHBondContact O-N 2.96Å; E533-G535 PolarHBondContact O-N 2.99Å
536S51.2Low59.4Low87 Ų87109.3 Ų109.361%0.60860%0.596SS**THydrogen-bonded Turntrans-127.88.5-169.650.70000115.9Q532 E533Q532-S536 PolarHBondContact O-N 3.29Å; Q532-S536 PolarHBondContact O-OG 3.03Å; E533-S536 WeakPolarHBondContact CA-OG 3.17Å; E533-S536 PolarHBondContact O-N 3.34Å; E533-S536 VanDerWaalsContact O-N 3.12Å; E533-S536 PolarHBondContact O-OG 2.89Å
537K47.9Very low59.2Low137 Ų137109.3 Ų109.360%0.59659%0.594SS**  trans-125103.9170.2-69.3-178.9-176.5167.40111.1E533 D539E533-K537 PolarHBondContact O-N 3.46Å; K537-D539 PolarHBondContact O-N 3.33Å
538A50.4Low59Low105 Ų105111.7 Ų111.787%0.86860%0.596SS**THydrogen-bonded Turntrans-68.919.7-174.500000116
539D54.6Low59.2Low129 Ų129109.6 Ų109.669%0.6959%0.589SS**THydrogen-bonded Turntrans-116.5-30.8-173.7-124.9-4.7000114.3K537 S542K537-D539 PolarHBondContact O-N 3.33Å; D539-S542 PolarHBondContact O-N 3.38Å; D539-S542 PolarHBondContact O-OG 3.31Å
540D49.1Very low59.6Low116 Ų116107.7 Ų107.762%0.6258%0.582SS**Hα-helixtrans-80.9-15.8176.6-81.6-26.7000113.9S542 V543 L544D540-S542 PolarHBondContact O-N 2.89Å; D540-V543 PolarHBondContact O-N 2.93Å; D540-L544 PolarHBondContact O-N 3.07Å
541S49.3Very low60.1Low81 Ų81110.5 Ų110.557%0.56659%0.591SS**Hα-helixtrans-62-31.1169.6-173.10000111K545S541-K545 WeakPolarHBondContact O-CB 3.4Å; S541-K545 PolarHBondContact O-N 3.05Å
542S56.5Low61.1Low68 Ų68107.9 Ų107.948%0.47658%0.575SS.*Hα-helixtrans-68.5-40.2-179.977.50000112.5D539 D540 K546D539-S542 PolarHBondContact O-N 3.38Å; D539-S542 PolarHBondContact O-OG 3.31Å; D540-S542 PolarHBondContact O-N 2.89Å; S542-K546 WeakPolarHBondContact O-CB 3.15Å; S542-K546 PolarHBondContact O-N 3.34Å
543V61.1Low62.3Low73 Ų73106.2 Ų106.244%0.44257%0.567SS.*Hα-helixtrans-79.7-39.5-175.5-178.80000111.5D540 K546 K547D540-V543 PolarHBondContact O-N 2.93Å; V543-K546 PolarHBondContact O-N 2.85Å; V543-K547 PolarHBondContact O-N 3.48Å
544L57Low63.8Low127 Ų127107.7 Ų107.767%0.66557%0.572SS**Hα-helixtrans-69.4-39.2174.4-124.186.6000111.5D540 K547 Y548D540-L544 PolarHBondContact O-N 3.07Å; L544-K547 PolarHBondContact O-N 3.14Å; L544-Y548 VanDerWaalsContact O-CB 3.29Å; L544-Y548 WeakPolarHBondContact O-CB 3.3Å; L544-Y548 PolarHBondContact O-N 3.36Å
545K62.8Low65.4Low130 Ų130107 Ų10757%0.56557%0.572SS**Hα-helixtrans-64.6-40.8173.4-171158.5-176.7168.80111.3S541 K547 Y548 D549S541-K545 WeakPolarHBondContact O-CB 3.4Å; S541-K545 PolarHBondContact O-N 3.05Å; K545-K547 PolarHBondContact O-N 3.36Å; K545-Y548 PolarHBondContact O-N 2.89Å; K545-D549 VanDerWaalsContact O-CB 3.27Å; K545-D549 WeakPolarHBondContact O-CB 3.49Å; K545-D549 PolarHBondContact O-N 3.3Å
546K72Confident67.3Low137 Ų137109.1 Ų109.160%0.59656%0.563SS**Hα-helixtrans-64.1-40.9174.8-163.2175.1-173.8-178.50113S542 V543 D549 E550S542-K546 WeakPolarHBondContact O-CB 3.15Å; S542-K546 PolarHBondContact O-N 3.34Å; V543-K546 PolarHBondContact O-N 2.85Å; K546-D549 PolarHBondContact O-N 3.44Å; K546-E550 WeakPolarHBondContact O-CB 3.36Å; K546-E550 VanDerWaalsContact O-CG 3.28Å; K546-E550 WeakPolarHBondContact O-CG 3.33Å; K546-E550 PolarHBondContact O-N 3.45Å
547K73.6Confident69Low125 Ų125110.5 Ų110.554%0.54356%0.56SS.*Hα-helixtrans-68.1-37.4173.3-76.7-174.7177.5-179.70112.7V543 L544 K545 H551V543-K547 PolarHBondContact O-N 3.48Å; L544-K547 PolarHBondContact O-N 3.14Å; K545-K547 PolarHBondContact O-N 3.36Å; K547-H551 WeakPolarHBondContact O-CB 3.3Å; K547-H551 PolarHBondContact O-CD2 3.16Å; K547-H551 PolarHBondContact O-N 3.47Å
548Y71.4Confident70.9Confident163 Ų163108.2 Ų108.264%0.63956%0.557SS**Hα-helixtrans-65.8-44.9174.5-177.1-96.5000111L544 K545 H551 V552L544-Y548 VanDerWaalsContact O-CB 3.29Å; L544-Y548 WeakPolarHBondContact O-CB 3.3Å; L544-Y548 PolarHBondContact O-N 3.36Å; K545-Y548 PolarHBondContact O-N 2.89Å; Y548-H551 PolarHBondContact O-N 2.85Å; Y548-V552 HydrophobicContact CD1-CG2 4.08Å; Y548-V552 HydrophobicContact CE1-CG2 3.79Å; Y548-V552 WeakPolarHBondContact O-CB 3.34Å; Y548-V552 VanDerWaalsContact O-CG2 3.26Å; Y548-V552 WeakPolarHBondContact O-CG2 3.37Å; Y548-V552 PolarHBondContact O-N 3.27Å
549D76.2Confident72.5Confident80 Ų80107.5 Ų107.543%0.42854%0.539SS..Hα-helixtrans-63.2-41.8175.8-66.2-21.2000110.8K545 K546 H551 V552 E553K545-D549 VanDerWaalsContact O-CB 3.27Å; K545-D549 WeakPolarHBondContact O-CB 3.49Å; K545-D549 PolarHBondContact O-N 3.3Å; K546-D549 PolarHBondContact O-N 3.44Å; D549-H551 PolarHBondContact O-N 3.37Å; D549-V552 PolarHBondContact O-N 3.41Å; D549-E553 VanDerWaalsContact O-CB 3.29Å; D549-E553 WeakPolarHBondContact O-CB 3.37Å; D549-E553 PolarHBondContact O-N 3.38Å
550E80.8Confident74.2Confident87 Ų87105.5 Ų105.541%0.40753%0.528SS..Hα-helixtrans-62.7-37.5172.9-80.4173.6-166.100112.7K546 K554K546-E550 WeakPolarHBondContact O-CB 3.36Å; K546-E550 VanDerWaalsContact O-CG 3.28Å; K546-E550 WeakPolarHBondContact O-CG 3.33Å; K546-E550 PolarHBondContact O-N 3.45Å; E550-K554 WeakPolarHBondContact O-CB 3.04Å; E550-K554 WeakPolarHBondContact O-CG 3.3Å; E550-K554 PolarHBondContact O-N 3.43Å
551H77.3Confident76.1Confident121 Ų121105.3 Ų105.356%0.5652%0.524SS*.Hα-helixtrans-72.3-36.2175.6-86.3-66.1000112.3K547 Y548 D549 L555K547-H551 WeakPolarHBondContact O-CB 3.3Å; K547-H551 PolarHBondContact O-CD2 3.16Å; K547-H551 PolarHBondContact O-N 3.47Å; Y548-H551 PolarHBondContact O-N 2.85Å; D549-H551 PolarHBondContact O-N 3.37Å; H551-L555 WeakPolarHBondContact O-CB 3.46Å; H551-L555 PolarHBondContact O-N 3.46Å
552V83.1Confident78Confident49 Ų49105.7 Ų105.730%0.29752%0.519SS..Hα-helixtrans-67.7-40.3173.9169.90000110.6Y548 D549 L555 Q556Y548-V552 HydrophobicContact CD1-CG2 4.08Å; Y548-V552 HydrophobicContact CE1-CG2 3.79Å; Y548-V552 WeakPolarHBondContact O-CB 3.34Å; Y548-V552 VanDerWaalsContact O-CG2 3.26Å; Y548-V552 WeakPolarHBondContact O-CG2 3.37Å; Y548-V552 PolarHBondContact O-N 3.27Å; D549-V552 PolarHBondContact O-N 3.41Å; V552-L555 WeakPolarHBondContact O-CB 3.28Å; V552-L555 PolarHBondContact O-N 3.32Å; V552-Q556 WeakPolarHBondContact O-CB 3.47Å; V552-Q556 WeakPolarHBondContact O-CG 3.47Å; V552-Q556 PolarHBondContact O-N 2.83Å
553E85.1Confident79.6Confident118 Ų118107 Ų10755%0.55152%0.52SS*.Hα-helixtrans-65.6-44.1176.5-168.6172.1-155.500111.1D549 L555 Q556 E557D549-E553 VanDerWaalsContact O-CB 3.29Å; D549-E553 WeakPolarHBondContact O-CB 3.37Å; D549-E553 PolarHBondContact O-N 3.38Å; E553-L555 VanDerWaalsContact C-N 3.33Å; E553-L555 PolarHBondContact O-N 3.05Å; E553-Q556 CarbonylContact O-C 3.55Å; E553-Q556 PolarHBondContact O-N 3.03Å; E553-Q556 VanDerWaalsContact O-N 3.16Å; E553-E557 PolarHBondContact O-N 3.29Å
554K86.3Confident81Confident117 Ų117110.4 Ų110.451%0.50953%0.529SS..Hα-helixtrans-61.8-38.6171.9-76.6173.4-176.5168.60112.8E550 E557 V558E550-K554 WeakPolarHBondContact O-CB 3.04Å; E550-K554 WeakPolarHBondContact O-CG 3.3Å; E550-K554 PolarHBondContact O-N 3.43Å; K554-E557 PolarHBondContact O-N 2.89Å; K554-V558 WeakPolarHBondContact O-CB 3.35Å; K554-V558 VanDerWaalsContact O-CG2 3.27Å; K554-V558 WeakPolarHBondContact O-CG2 3.29Å; K554-V558 PolarHBondContact O-N 3.47Å
555L83.4Confident82.4Confident125 Ų125110.6 Ų110.665%0.65452%0.524SS*.Hα-helixtrans-65.5-39.6174.3-105.7150.6000111.6H551 V552 E553 N559H551-L555 WeakPolarHBondContact O-CB 3.46Å; H551-L555 PolarHBondContact O-N 3.46Å; V552-L555 WeakPolarHBondContact O-CB 3.28Å; V552-L555 PolarHBondContact O-N 3.32Å; E553-L555 VanDerWaalsContact C-N 3.33Å; E553-L555 PolarHBondContact O-N 3.05Å; L555-N559 WeakPolarHBondContact O-CB 3.42Å; L555-N559 PolarHBondContact O-N 2.96Å
556Q83.9Confident83.5Confident116 Ų116107.8 Ų107.854%0.54252%0.515SS..Hα-helixtrans-68-39.5175-76.2177.2-10.900112V552 E553 N559 N560V552-Q556 WeakPolarHBondContact O-CB 3.47Å; V552-Q556 WeakPolarHBondContact O-CG 3.47Å; V552-Q556 PolarHBondContact O-N 2.83Å; E553-Q556 CarbonylContact O-C 3.55Å; E553-Q556 PolarHBondContact O-N 3.03Å; E553-Q556 VanDerWaalsContact O-N 3.16Å; Q556-N559 PolarHBondContact O-N 2.85Å; Q556-N560 VanDerWaalsContact O-CB 3.25Å; Q556-N560 WeakPolarHBondContact O-CB 3.35Å; Q556-N560 PolarHBondContact O-N 2.93Å; Q556-N560 PolarHBondContact O-ND2 3.4Å
557E87.6Confident84.2Confident116 Ų116104 Ų10454%0.54251%0.509SS..Hα-helixtrans-62.2-50173.4-82-174.5148.800111.4E553 K554 N559 N560 E561E553-E557 PolarHBondContact O-N 3.29Å; K554-E557 PolarHBondContact O-N 2.89Å; E557-N559 VanDerWaalsContact C-N 3.3Å; E557-N559 PolarHBondContact O-N 3.3Å; E557-N560 PolarHBondContact O-N 3.12Å; E557-E561 WeakPolarHBondContact O-CG 3.44Å; E557-E561 PolarHBondContact O-N 2.92Å
558V86.8Confident85Confident89 Ų89102.8 Ų102.854%0.53951%0.508SS..Hα-helixtrans-61.6-40.9177.3171.20000110.9K554 E561 L562K554-V558 WeakPolarHBondContact O-CB 3.35Å; K554-V558 VanDerWaalsContact O-CG2 3.27Å; K554-V558 WeakPolarHBondContact O-CG2 3.29Å; K554-V558 PolarHBondContact O-N 3.47Å; V558-E561 PolarHBondContact O-N 3.03Å; V558-L562 VanDerWaalsContact O-CB 3.3Å; V558-L562 WeakPolarHBondContact O-CB 3.48Å; V558-L562 PolarHBondContact O-N 3.39Å
559N85.6Confident85.6Confident91 Ų9199.6 Ų99.649%0.48750%0.501SS..Hα-helixtrans-66.6-38.3176.8-168.764.6000112L555 Q556 E557 L562 L563L555-N559 WeakPolarHBondContact O-CB 3.42Å; L555-N559 PolarHBondContact O-N 2.96Å; Q556-N559 PolarHBondContact O-N 2.85Å; E557-N559 VanDerWaalsContact C-N 3.3Å; E557-N559 PolarHBondContact O-N 3.3Å; N559-L562 PolarHBondContact O-N 3.25Å; N559-L563 WeakPolarHBondContact O-CB 3.34Å; N559-L563 WeakPolarHBondContact O-CG 3.45Å; N559-L563 PolarHBondContact O-N 3.47Å
560N88.9Confident86.3Confident87 Ų87100.7 Ų100.747%0.46551%0.507SS..Hα-helixtrans-68.5-38.3174.5-77.4-23.3000112.2Q556 E557 L562 L563 K564Q556-N560 VanDerWaalsContact O-CB 3.25Å; Q556-N560 WeakPolarHBondContact O-CB 3.35Å; Q556-N560 PolarHBondContact O-N 2.93Å; Q556-N560 PolarHBondContact O-ND2 3.4Å; E557-N560 PolarHBondContact O-N 3.12Å; N560-L562 VanDerWaalsContact C-N 3.33Å; N560-L563 PolarHBondContact O-N 3.09Å; N560-K564 WeakPolarHBondContact O-CB 3.34Å; N560-K564 VanDerWaalsContact O-CG 3.27Å; N560-K564 WeakPolarHBondContact O-CG 3.46Å; N560-K564 PolarHBondContact O-N 3.21Å
561E89.2Confident86.7Confident112 Ų112102 Ų10252%0.52351%0.513SS..Hα-helixtrans-64.8-39172.3-76.1-168.8172.700111.8E557 V558 K564 K565E557-E561 WeakPolarHBondContact O-CG 3.44Å; E557-E561 PolarHBondContact O-N 2.92Å; V558-E561 PolarHBondContact O-N 3.03Å; E561-K564 PolarHBondContact O-N 3.35Å; E561-K565 WeakPolarHBondContact O-CB 3.47Å; E561-K565 WeakPolarHBondContact O-CG 3.49Å; E561-K565 PolarHBondContact O-N 3.12Å
562L88.8Confident86.9Confident89 Ų89101.4 Ų101.447%0.46651%0.512SS..Hα-helixtrans-67.3-42177-160.6149.4000111V558 N559 N560 K565 N566V558-L562 VanDerWaalsContact O-CB 3.3Å; V558-L562 WeakPolarHBondContact O-CB 3.48Å; V558-L562 PolarHBondContact O-N 3.39Å; N559-L562 PolarHBondContact O-N 3.25Å; N560-L562 VanDerWaalsContact C-N 3.33Å; L562-K565 PolarHBondContact O-N 3.05Å; L562-N566 WeakPolarHBondContact O-CB 3.48Å; L562-N566 PolarHBondContact O-N 3.46Å
563L90.1Very high87.2Confident95 Ų95104.2 Ų104.250%0.49752%0.522SS..Hα-helixtrans-62.2-41.2172.3-75.2171.1000112.4N559 N560 N566 A567N559-L563 WeakPolarHBondContact O-CB 3.34Å; N559-L563 WeakPolarHBondContact O-CG 3.45Å; N559-L563 PolarHBondContact O-N 3.47Å; N560-L563 PolarHBondContact O-N 3.09Å; L563-N566 PolarHBondContact O-N 3.19Å; L563-A567 WeakPolarHBondContact O-CB 3.37Å; L563-A567 PolarHBondContact O-N 3.41Å
564K90.6Very high87.4Confident145 Ų145102.2 Ų102.263%0.6352%0.519SS*.Hα-helixtrans-63.6-42.6174.4-75.5172-177.2176.60111.8N560 E561 A567 I568N560-K564 WeakPolarHBondContact O-CB 3.34Å; N560-K564 VanDerWaalsContact O-CG 3.27Å; N560-K564 WeakPolarHBondContact O-CG 3.46Å; N560-K564 PolarHBondContact O-N 3.21Å; E561-K564 PolarHBondContact O-N 3.35Å; K564-A567 PolarHBondContact O-N 2.85Å; K564-I568 VanDerWaalsContact O-CG1 3.28Å; K564-I568 WeakPolarHBondContact O-CG1 3.49Å; K564-I568 PolarHBondContact O-N 3.46Å
565K86.6Confident87.6Confident130 Ų130102 Ų10257%0.56552%0.518SS*.Hα-helixtrans-65.3-41.1176.4-76.3177.3-1791680111.7E561 L562 I568 I569E561-K565 WeakPolarHBondContact O-CB 3.47Å; E561-K565 WeakPolarHBondContact O-CG 3.49Å; E561-K565 PolarHBondContact O-N 3.12Å; L562-K565 PolarHBondContact O-N 3.05Å; K565-I568 PolarHBondContact O-N 3.32Å; K565-I569 VanDerWaalsContact O-CG1 3.31Å; K565-I569 WeakPolarHBondContact O-CG1 3.42Å; K565-I569 PolarHBondContact O-N 3.27Å
566N85.6Confident87.9Confident71 Ų71103.8 Ų103.838%0.3852%0.517SS..Hα-helixtrans-63.5-43.9174.4-76.3-2.8000111.5L562 L563 I568 I569 D570L562-N566 WeakPolarHBondContact O-CB 3.48Å; L562-N566 PolarHBondContact O-N 3.46Å; L563-N566 PolarHBondContact O-N 3.19Å; N566-I568 VanDerWaalsContact C-N 3.28Å; N566-I568 PolarHBondContact O-N 2.91Å; N566-I569 WeakPolarHBondContact O-CB 3.34Å; N566-I569 PolarHBondContact O-N 3.47Å; N566-I569 VanDerWaalsContact O-N 3.08Å; N566-D570 VanDerWaalsContact O-CG 3.24Å; N566-D570 PolarHBondContact O-N 3.22Å
567A87.8Confident88.3Confident57 Ų57102.3 Ų102.347%0.47151%0.513SS..Hα-helixtrans-60.7-36.9175.600000112.7L563 K564 E571L563-A567 WeakPolarHBondContact O-CB 3.37Å; L563-A567 PolarHBondContact O-N 3.41Å; K564-A567 PolarHBondContact O-N 2.85Å; A567-E571 WeakPolarHBondContact O-CB 3.42Å; A567-E571 PolarHBondContact O-N 3.22Å
568I89.1Confident88.5Confident101 Ų10199.5 Ų99.552%0.51851%0.509SS..Hα-helixtrans-67.8-40.2174.3-68164.3000111K564 K565 N566 E571 M572K564-I568 VanDerWaalsContact O-CG1 3.28Å; K564-I568 WeakPolarHBondContact O-CG1 3.49Å; K564-I568 PolarHBondContact O-N 3.46Å; K565-I568 PolarHBondContact O-N 3.32Å; N566-I568 VanDerWaalsContact C-N 3.28Å; N566-I568 PolarHBondContact O-N 2.91Å; I568-E571 PolarHBondContact O-N 3.14Å; I568-M572 HydrophobicContact CG2-CG 4.25Å; I568-M572 WeakPolarHBondContact O-CB 3.3Å; I568-M572 WeakPolarHBondContact O-CG 3.47Å; I568-M572 PolarHBondContact O-N 3.17Å
569I85.9Confident88.5Confident96 Ų9698.6 Ų98.649%0.49251%0.507SS..Hα-helixtrans-61.9-48.3175.4-69.8165.6000109.8K565 N566 E571 M572 E573K565-I569 VanDerWaalsContact O-CG1 3.31Å; K565-I569 WeakPolarHBondContact O-CG1 3.42Å; K565-I569 PolarHBondContact O-N 3.27Å; N566-I569 WeakPolarHBondContact O-CB 3.34Å; N566-I569 PolarHBondContact O-N 3.47Å; N566-I569 VanDerWaalsContact O-N 3.08Å; I569-E571 PolarHBondContact O-N 3.16Å; I569-M572 PolarHBondContact O-N 2.93Å; I569-E573 WeakPolarHBondContact O-CB 3.41Å; I569-E573 PolarHBondContact O-N 3.25Å
570D89.8Confident88.9Confident103 Ų10396.5 Ų96.555%0.55150%0.5SS*.Hα-helixtrans-61-31178.3-64.8-16.5000112.2N566 P574N566-D570 VanDerWaalsContact O-CG 3.24Å; N566-D570 PolarHBondContact O-N 3.22Å; D570-P574 WeakPolarHBondContact O-CD 3.48Å
571E88.8Confident89Confident115 Ų11598.4 Ų98.454%0.53751%0.506SS..Hα-helixtrans-80-28.4175.8-152.5-159.3136.300113.1A567 I568 I569 P574 K575A567-E571 WeakPolarHBondContact O-CB 3.42Å; A567-E571 PolarHBondContact O-N 3.22Å; I568-E571 PolarHBondContact O-N 3.14Å; I569-E571 PolarHBondContact O-N 3.16Å; E571-P574 WeakPolarHBondContact O-CG 3.47Å; E571-K575 IonicContact OE1-NZ 2.79Å; E571-K575 PolarHBondContact OE1-NZ 3.25Å
572M82.1Confident89.2Confident108 Ų108101.4 Ų101.453%0.53251%0.512SS..Hα-helixtrans-86-28.7-179.8-71.2-64.3-69.800112.7I568 I569 K575 Y576I568-M572 HydrophobicContact CG2-CG 4.25Å; I568-M572 WeakPolarHBondContact O-CB 3.3Å; I568-M572 WeakPolarHBondContact O-CG 3.47Å; I568-M572 PolarHBondContact O-N 3.17Å; I569-M572 PolarHBondContact O-N 2.93Å; M572-K575 PolarHBondContact O-N 3.44Å; M572-K575 HydrophobicContact SD-CD 4.25Å; M572-Y576 WeakPolarHBondContact O-CB 3Å; M572-Y576 PolarHBondContact O-N 3.41Å
573E89.6Confident89.2Confident107 Ų107100.4 Ų100.450%0.551%0.51SS..Hα-helixtrans-57.4-46.8177.6-169.7159.9-142.600114I569 K575 Y576 N577I569-E573 WeakPolarHBondContact O-CB 3.41Å; I569-E573 PolarHBondContact O-N 3.25Å; E573-K575 VanDerWaalsContact C-N 3.33Å; E573-K575 PolarHBondContact O-N 2.9Å; E573-Y576 PolarHBondContact O-N 2.98Å; E573-N577 WeakPolarHBondContact O-CB 3.39Å; E573-N577 VanDerWaalsContact O-CG 3.23Å; E573-N577 PolarHBondContact O-N 3.47Å; E573-N577 PolarHBondContact O-ND2 3.35Å
574P90Very high89.4Confident76 Ų76100.1 Ų100.149%0.49451%0.509SS..Hα-helixtrans-67.5-32.7175.925.1-33.7000112.5D570 E571 A578D570-P574 WeakPolarHBondContact O-CD 3.48Å; E571-P574 WeakPolarHBondContact O-CG 3.47Å; P574-A578 VanDerWaalsContact O-CB 3.3Å; P574-A578 WeakPolarHBondContact O-CB 3.5Å; P574-A578 PolarHBondContact O-N 3.22Å
575K89.3Confident89.6Confident112 Ų11299.2 Ų99.249%0.48751%0.507SS..Hα-helixtrans-68.5-40.6175.8-67174.1-171.21590111.1E571 M572 E573 S579E571-K575 IonicContact OE1-NZ 2.79Å; E571-K575 PolarHBondContact OE1-NZ 3.25Å; M572-K575 PolarHBondContact O-N 3.44Å; M572-K575 HydrophobicContact SD-CD 4.25Å; E573-K575 VanDerWaalsContact C-N 3.33Å; E573-K575 PolarHBondContact O-N 2.9Å; K575-S579 WeakPolarHBondContact O-CB 3.34Å; K575-S579 PolarHBondContact O-N 3.41Å
576Y90.8Very high89.8Confident164 Ų16498.3 Ų98.364%0.64351%0.508SS*.Hα-helixtrans-64.1-46.8173.9179.3-95.8000111.3M572 E573 A578 S579 S580M572-Y576 WeakPolarHBondContact O-CB 3Å; M572-Y576 PolarHBondContact O-N 3.41Å; E573-Y576 PolarHBondContact O-N 2.98Å; Y576-A578 PolarHBondContact O-N 3.21Å; Y576-S579 WeakPolarHBondContact O-CB 3.39Å; Y576-S579 PolarHBondContact O-N 2.9Å; Y576-S579 VanDerWaalsContact O-N 3.17Å; Y576-S580 PolarHBondContact O-N 3.21Å
577N91.3Very high90Very high85 Ų85100.8 Ų100.846%0.45552%0.517SS..Hα-helixtrans-62.8-41.4178.4-70.9-21.1000112.3E573 S579 S580 Q581E573-N577 WeakPolarHBondContact O-CB 3.39Å; E573-N577 VanDerWaalsContact O-CG 3.23Å; E573-N577 PolarHBondContact O-N 3.47Å; E573-N577 PolarHBondContact O-ND2 3.35Å; N577-S579 VanDerWaalsContact C-N 3.35Å; N577-S580 PolarHBondContact O-N 2.95Å; N577-Q581 PolarHBondContact O-N 3.3Å
578A91.4Very high90.3Very high56 Ų56105 Ų10546%0.46353%0.527SS..Hα-helixtrans-64.9-38.5174.100000112.2P574 Y576 R582P574-A578 VanDerWaalsContact O-CB 3.3Å; P574-A578 WeakPolarHBondContact O-CB 3.5Å; P574-A578 PolarHBondContact O-N 3.22Å; Y576-A578 PolarHBondContact O-N 3.21Å; A578-R582 WeakPolarHBondContact O-CB 3.2Å; A578-R582 PolarHBondContact O-N 3.47Å; A578-R582 VanDerWaalsContact O-N 3.07Å
579S88.1Confident90.5Very high71 Ų71102.5 Ų102.550%0.49752%0.522SS..Hα-helixtrans-66.6-39.4174.4-1690000111.8K575 Y576 N577 R582 V583K575-S579 WeakPolarHBondContact O-CB 3.34Å; K575-S579 PolarHBondContact O-N 3.41Å; Y576-S579 WeakPolarHBondContact O-CB 3.39Å; Y576-S579 PolarHBondContact O-N 2.9Å; Y576-S579 VanDerWaalsContact O-N 3.17Å; N577-S579 VanDerWaalsContact C-N 3.35Å; S579-R582 PolarHBondContact O-N 3.41Å; S579-V583 WeakPolarHBondContact O-CG2 3.27Å; S579-V583 PolarHBondContact O-N 2.9Å
580S92.5Very high90.6Very high47 Ų47103.3 Ų103.333%0.32953%0.526SS..Hα-helixtrans-64-47.6176.9-165.80000111.1Y576 N577 R582 V583 D584Y576-S580 PolarHBondContact O-N 3.21Å; N577-S580 PolarHBondContact O-N 2.95Å; S580-R582 VanDerWaalsContact C-N 3.27Å; S580-R582 PolarHBondContact O-N 2.96Å; S580-V583 WeakPolarHBondContact O-CB 3.41Å; S580-V583 PolarHBondContact O-N 3.07Å; S580-V583 VanDerWaalsContact O-N 3.08Å; S580-D584 PolarHBondContact O-N 3.48Å
581Q92.8Very high90.9Very high127 Ų127106 Ų10659%0.59353%0.533SS*.Hα-helixtrans-58.8-39.8175.4-80.2-178.2-18.400112.2N577 V583 D584 E585N577-Q581 PolarHBondContact O-N 3.3Å; Q581-V583 VanDerWaalsContact C-N 3.3Å; Q581-V583 PolarHBondContact O-N 2.97Å; Q581-D584 PolarHBondContact O-N 3.45Å; Q581-E585 WeakPolarHBondContact O-CG 3.48Å; Q581-E585 PolarHBondContact O-N 3.06Å
582R92.3Very high91.2Very high174 Ų174107 Ų10766%0.65754%0.536SS*.Hα-helixtrans-66.5-33.1177.2-170168.7-177.1141.40.3112.7A578 S579 S580 L586A578-R582 WeakPolarHBondContact O-CB 3.2Å; A578-R582 PolarHBondContact O-N 3.47Å; A578-R582 VanDerWaalsContact O-N 3.07Å; S579-R582 PolarHBondContact O-N 3.41Å; S580-R582 VanDerWaalsContact C-N 3.27Å; S580-R582 PolarHBondContact O-N 2.96Å; R582-L586 HydrophobicContact CG-CD1 4.44Å; R582-L586 WeakPolarHBondContact O-CB 3.5Å; R582-L586 VanDerWaalsContact O-CG 3.22Å; R582-L586 WeakPolarHBondContact O-CG 3.33Å; R582-L586 PolarHBondContact O-N 3.32Å; R582-L586 VanDerWaalsContact O-N 3.15Å
583V90Very high91.6Very high69 Ų69107.7 Ų107.742%0.41854%0.536SS..Hα-helixtrans-66.9-47172.5170.10000109.9S579 S580 Q581 E585 L586 E587S579-V583 WeakPolarHBondContact O-CG2 3.27Å; S579-V583 PolarHBondContact O-N 2.9Å; S580-V583 WeakPolarHBondContact O-CB 3.41Å; S580-V583 PolarHBondContact O-N 3.07Å; S580-V583 VanDerWaalsContact O-N 3.08Å; Q581-V583 VanDerWaalsContact C-N 3.3Å; Q581-V583 PolarHBondContact O-N 2.97Å; V583-E585 VanDerWaalsContact C-N 3.34Å; V583-E585 PolarHBondContact O-N 2.99Å; V583-L586 PolarHBondContact O-N 2.91Å; V583-L586 VanDerWaalsContact O-N 3.14Å; V583-E587 HydrophobicContact CG1-CG 4.39Å; V583-E587 WeakPolarHBondContact O-CG 3.43Å; V583-E587 PolarHBondContact O-N 3.4Å
584D93.7Very high91.7Very high88 Ų88106.3 Ų106.347%0.47153%0.531SS..Hα-helixtrans-59.8-42.8178.5-62.6-26.7000111.9S580 Q581 L586 E587 E588S580-D584 PolarHBondContact O-N 3.48Å; Q581-D584 PolarHBondContact O-N 3.45Å; D584-L586 PolarHBondContact O-N 3.32Å; D584-E587 PolarHBondContact O-N 2.89Å; D584-E588 PolarHBondContact O-N 3.26Å
585E94Very high91.9Very high127 Ų127107.3 Ų107.359%0.59353%0.53SS*.Hα-helixtrans-61.9-40.4175.5-75.2175.4-178.800112.5Q581 V583 A589Q581-E585 WeakPolarHBondContact O-CG 3.48Å; Q581-E585 PolarHBondContact O-N 3.06Å; V583-E585 VanDerWaalsContact C-N 3.34Å; V583-E585 PolarHBondContact O-N 2.99Å; E585-A589 WeakPolarHBondContact O-CB 3.36Å; E585-A589 PolarHBondContact O-N 2.8Å
586L90.4Very high92.1Very high111 Ų111105.5 Ų105.558%0.58152%0.523SS*.Hα-helixtrans-70.4-38.2177.6-73.8171.8000111.7R582 V583 D584 A589 L590R582-L586 HydrophobicContact CG-CD1 4.44Å; R582-L586 WeakPolarHBondContact O-CB 3.5Å; R582-L586 VanDerWaalsContact O-CG 3.22Å; R582-L586 WeakPolarHBondContact O-CG 3.33Å; R582-L586 PolarHBondContact O-N 3.32Å; R582-L586 VanDerWaalsContact O-N 3.15Å; V583-L586 PolarHBondContact O-N 2.91Å; V583-L586 VanDerWaalsContact O-N 3.14Å; D584-L586 PolarHBondContact O-N 3.32Å; L586-A589 PolarHBondContact O-N 2.93Å; L586-L590 WeakPolarHBondContact O-CB 3.32Å; L586-L590 PolarHBondContact O-N 3.41Å
587E90.6Very high92Very high122 Ų122102.9 Ų102.957%0.5752%0.518SS*.Hα-helixtrans-63.9-41.2174.1-74.1-173.7174.500111.5V583 D584 L590 K591V583-E587 HydrophobicContact CG1-CG 4.39Å; V583-E587 WeakPolarHBondContact O-CG 3.43Å; V583-E587 PolarHBondContact O-N 3.4Å; D584-E587 PolarHBondContact O-N 2.89Å; E587-L590 PolarHBondContact O-N 3.2Å; E587-K591 WeakPolarHBondContact O-CB 3.46Å; E587-K591 PolarHBondContact O-N 3.37Å
588E94.6Very high92.1Very high145 Ų145104.6 Ų104.668%0.67852%0.521SS*.Hα-helixtrans-67.4-40.4176.3-167.2171.6-167.400111.9D584 K591 K592D584-E588 PolarHBondContact O-N 3.26Å; E588-K591 PolarHBondContact O-N 3.43Å; E588-K592 WeakPolarHBondContact O-CB 3.33Å; E588-K592 PolarHBondContact O-N 2.96Å
589A92.6Very high92.2Very high50 Ų50106.1 Ų106.141%0.41352%0.519SS..Hα-helixtrans-63.5-41174.300000112.3E585 L586 K592 K593E585-A589 WeakPolarHBondContact O-CB 3.36Å; E585-A589 PolarHBondContact O-N 2.8Å; L586-A589 PolarHBondContact O-N 2.93Å; A589-K592 PolarHBondContact O-N 2.98Å; A589-K593 WeakPolarHBondContact O-CG 3.31Å; A589-K593 PolarHBondContact O-N 3.01Å
590L88.9Confident92.2Very high112 Ų112107 Ų10759%0.58652%0.516SS*.Hα-helixtrans-62.3-48175.4-169.577.8000110.6L586 E587 K592 K593 D594L586-L590 WeakPolarHBondContact O-CB 3.32Å; L586-L590 PolarHBondContact O-N 3.41Å; E587-L590 PolarHBondContact O-N 3.2Å; L590-K592 VanDerWaalsContact C-N 3.28Å; L590-K592 PolarHBondContact O-N 3.32Å; L590-K593 WeakPolarHBondContact O-CA 3.49Å; L590-K593 WeakPolarHBondContact O-CB 3.41Å; L590-K593 PolarHBondContact O-N 3.3Å; L590-D594 PolarHBondContact O-N 3.21Å
591K94.3Very high91.9Very high160 Ų160110.4 Ų110.470%0.69653%0.527SS*.Hα-helixtrans-60.6-38.4177.9-169.9178.9-178.3-179.10112.3E587 E588 D594 E595E587-K591 WeakPolarHBondContact O-CB 3.46Å; E587-K591 PolarHBondContact O-N 3.37Å; E588-K591 PolarHBondContact O-N 3.43Å; K591-D594 PolarHBondContact O-N 3.19Å; K591-E595 PolarHBondContact O-N 2.89Å; K591-E595 VanDerWaalsContact O-N 3.13Å
592K95.8Very high91.8Very high136 Ų136110.2 Ų110.259%0.59153%0.526SS*.Hα-helixtrans-64.3-41.2173.6-174.7-180176.1-176.90111.6E588 A589 L590 E595 E596E588-K592 WeakPolarHBondContact O-CB 3.33Å; E588-K592 PolarHBondContact O-N 2.96Å; A589-K592 PolarHBondContact O-N 2.98Å; L590-K592 VanDerWaalsContact C-N 3.28Å; L590-K592 PolarHBondContact O-N 3.32Å; K592-E595 PolarHBondContact O-N 3.17Å; K592-E596 WeakPolarHBondContact CE-OE1 3.22Å; K592-E596 WeakPolarHBondContact O-CG 3.42Å; K592-E596 PolarHBondContact O-N 3.35Å
593K90.5Very high91.8Very high123 Ų123108.7 Ų108.754%0.53552%0.52SS..Hα-helixtrans-66.3-38.8177.1-75.6-73.9167.4-158.60112.7A589 L590 E595 E596 M597A589-K593 WeakPolarHBondContact O-CG 3.31Å; A589-K593 PolarHBondContact O-N 3.01Å; L590-K593 WeakPolarHBondContact O-CA 3.49Å; L590-K593 WeakPolarHBondContact O-CB 3.41Å; L590-K593 PolarHBondContact O-N 3.3Å; K593-E595 VanDerWaalsContact C-N 3.31Å; K593-E595 PolarHBondContact O-N 2.91Å; K593-E596 IonicContact NZ-OE2 3.91Å; K593-E596 PolarHBondContact NZ-OE2 2.94Å; K593-E596 PolarHBondContact O-N 2.86Å; K593-M597 WeakPolarHBondContact O-CB 3.42Å; K593-M597 PolarHBondContact O-N 2.99Å
594D91.4Very high91.7Very high77 Ų77112.5 Ų112.541%0.41253%0.528SS..Hα-helixtrans-62.8-38.8174.1-73.1-20.2000111.9L590 K591 M597 K598L590-D594 PolarHBondContact O-N 3.21Å; K591-D594 PolarHBondContact O-N 3.19Å; D594-M597 PolarHBondContact O-N 3.39Å; D594-K598 WeakPolarHBondContact O-CG 3.42Å; D594-K598 PolarHBondContact O-N 2.82Å
595E94.4Very high91.6Very high97 Ų97115.5 Ų115.545%0.45354%0.537SS..Hα-helixtrans-69.3-41.3176.2-171.958-151.900112K591 K592 K593 M597 K598 Q599K591-E595 PolarHBondContact O-N 2.89Å; K591-E595 VanDerWaalsContact O-N 3.13Å; K592-E595 PolarHBondContact O-N 3.17Å; K593-E595 VanDerWaalsContact C-N 3.31Å; K593-E595 PolarHBondContact O-N 2.91Å; E595-M597 VanDerWaalsContact C-N 3.3Å; E595-M597 PolarHBondContact O-N 3.44Å; E595-K598 PolarHBondContact O-N 3.24Å; E595-Q599 WeakPolarHBondContact O-CG 3.45Å; E595-Q599 PolarHBondContact O-N 2.88Å
596E93.6Very high91.5Very high74 Ų74116.3 Ų116.335%0.34654%0.538SS..Hα-helixtrans-59.5-41.1171.5-73.9173.5-172.100111.4K592 K593 Q599 M600K592-E596 WeakPolarHBondContact CE-OE1 3.22Å; K592-E596 WeakPolarHBondContact O-CG 3.42Å; K592-E596 PolarHBondContact O-N 3.35Å; K593-E596 IonicContact NZ-OE2 3.91Å; K593-E596 PolarHBondContact NZ-OE2 2.94Å; K593-E596 PolarHBondContact O-N 2.86Å; E596-Q599 PolarHBondContact O-N 2.99Å; E596-M600 WeakPolarHBondContact O-CG 3.48Å; E596-M600 PolarHBondContact O-N 3.41Å
597M89.8Confident91.4Very high110 Ų110118.5 Ų118.554%0.54254%0.54SS..Hα-helixtrans-64.5-46.3177.7-169179.8-60.100111.7K593 D594 E595 Q599 M600 E601K593-M597 WeakPolarHBondContact O-CB 3.42Å; K593-M597 PolarHBondContact O-N 2.99Å; D594-M597 PolarHBondContact O-N 3.39Å; E595-M597 VanDerWaalsContact C-N 3.3Å; E595-M597 PolarHBondContact O-N 3.44Å; M597-Q599 VanDerWaalsContact C-N 3.33Å; M597-Q599 PolarHBondContact O-N 2.79Å; M597-M600 WeakPolarHBondContact O-CB 3.43Å; M597-M600 PolarHBondContact O-N 2.86Å; M597-M600 VanDerWaalsContact O-N 3.13Å; M597-E601 WeakPolarHBondContact O-CG 3.26Å; M597-E601 PolarHBondContact O-N 3.46Å
598K93.4Very high91.3Very high120 Ų120117.6 Ų117.652%0.52254%0.539SS..Hα-helixtrans-59.2-42.5174.5-77.4176.9-177.9170.20112.6D594 E595 M600 E601 E602D594-K598 WeakPolarHBondContact O-CG 3.42Å; D594-K598 PolarHBondContact O-N 2.82Å; E595-K598 PolarHBondContact O-N 3.24Å; K598-M600 VanDerWaalsContact C-N 3.3Å; K598-M600 PolarHBondContact O-N 3.02Å; K598-E601 PolarHBondContact O-N 3.24Å; K598-E602 PolarHBondContact O-N 3.43Å
599Q93.1Very high91Very high89 Ų89114.5 Ų114.542%0.41652%0.524SS..Hα-helixtrans-63.9-37.3176.6-71.6177.525.400111.8E595 E596 M597 R603E595-Q599 WeakPolarHBondContact O-CG 3.45Å; E595-Q599 PolarHBondContact O-N 2.88Å; E596-Q599 PolarHBondContact O-N 2.99Å; M597-Q599 VanDerWaalsContact C-N 3.33Å; M597-Q599 PolarHBondContact O-N 2.79Å; Q599-R603 VanDerWaalsContact O-CG 3.28Å; Q599-R603 WeakPolarHBondContact O-CG 3.49Å; Q599-R603 PolarHBondContact O-N 3.39Å; Q599-R603 VanDerWaalsContact O-N 3.07Å
600M86.6Confident90.7Very high89 Ų89119.3 Ų119.344%0.43854%0.536SS..Hα-helixtrans-65.5-45.1173.2-76.4-69.1-74.200111.8E596 M597 K598 E602 R603 Y604E596-M600 WeakPolarHBondContact O-CG 3.48Å; E596-M600 PolarHBondContact O-N 3.41Å; M597-M600 WeakPolarHBondContact O-CB 3.43Å; M597-M600 PolarHBondContact O-N 2.86Å; M597-M600 VanDerWaalsContact O-N 3.13Å; K598-M600 VanDerWaalsContact C-N 3.3Å; K598-M600 PolarHBondContact O-N 3.02Å; M600-E602 VanDerWaalsContact C-N 3.34Å; M600-E602 PolarHBondContact O-N 3.21Å; M600-R603 WeakPolarHBondContact O-CB 3.29Å; M600-R603 PolarHBondContact O-N 3.47Å; M600-R603 VanDerWaalsContact O-N 3.16Å; M600-Y604 HydrophobicContact CE-CE2 3.82Å; M600-Y604 WeakPolarHBondContact O-CD2 3.28Å; M600-Y604 PolarHBondContact O-N 3.1Å
601E86.7Confident90.3Very high119 Ų119116.4 Ų116.456%0.55653%0.528SS*.Hα-helixtrans-58.7-43.2175.5-72.5179.7165.700112.2M597 K598 R603 Y604 K605M597-E601 WeakPolarHBondContact O-CG 3.26Å; M597-E601 PolarHBondContact O-N 3.46Å; K598-E601 PolarHBondContact O-N 3.24Å; E601-R603 VanDerWaalsContact C-N 3.35Å; E601-R603 PolarHBondContact O-N 2.95Å; E601-Y604 PolarHBondContact O-N 3.03Å; E601-K605 WeakPolarHBondContact O-CB 3.41Å; E601-K605 PolarHBondContact O-N 2.94Å
602E92Very high89.8Confident122 Ų122113.1 Ų113.157%0.5751%0.514SS*.Hα-helixtrans-63.9-38.8175.3-79.2-167.2166.600112.7K598 M600 K605 K606K598-E602 PolarHBondContact O-N 3.43Å; M600-E602 VanDerWaalsContact C-N 3.34Å; M600-E602 PolarHBondContact O-N 3.21Å; E602-K605 PolarHBondContact O-N 3.34Å; E602-K606 WeakPolarHBondContact O-CG 3.45Å; E602-K606 PolarHBondContact O-N 3.05Å
603R91.6Very high89.1Confident142 Ų142109.5 Ų109.554%0.53651%0.505SS..Hα-helixtrans-64.5-46.9174.7-73.5174.1-173.6-162.54.2110.9Q599 M600 E601 K605 K606 Y607Q599-R603 VanDerWaalsContact O-CG 3.28Å; Q599-R603 WeakPolarHBondContact O-CG 3.49Å; Q599-R603 PolarHBondContact O-N 3.39Å; Q599-R603 VanDerWaalsContact O-N 3.07Å; M600-R603 WeakPolarHBondContact O-CB 3.29Å; M600-R603 PolarHBondContact O-N 3.47Å; M600-R603 VanDerWaalsContact O-N 3.16Å; E601-R603 VanDerWaalsContact C-N 3.35Å; E601-R603 PolarHBondContact O-N 2.95Å; R603-K605 VanDerWaalsContact C-N 3.33Å; R603-K605 PolarHBondContact O-N 3.21Å; R603-K606 WeakPolarHBondContact O-CB 3.37Å; R603-K606 PolarHBondContact O-N 3.04Å; R603-Y607 HydrophobicContact CB-CE2 4.37Å; R603-Y607 WeakPolarHBondContact O-CD2 3.38Å; R603-Y607 PolarHBondContact O-N 3.04Å
604Y87.1Confident88.6Confident150 Ų150106.9 Ų106.959%0.58850%0.5SS*.Hα-helixtrans-58.5-45175.2-82.6-61.8000111.6M600 E601 K606 Y607 L608M600-Y604 HydrophobicContact CE-CE2 3.82Å; M600-Y604 WeakPolarHBondContact O-CD2 3.28Å; M600-Y604 PolarHBondContact O-N 3.1Å; E601-Y604 PolarHBondContact O-N 3.03Å; Y604-K606 VanDerWaalsContact C-N 3.31Å; Y604-K606 PolarHBondContact O-N 3.34Å; Y604-Y607 PolarHBondContact O-N 3.37Å; Y604-L608 WeakPolarHBondContact O-CB 3.44Å; Y604-L608 PolarHBondContact O-N 2.88Å
605K92.8Very high87.8Confident151 Ų151108.6 Ų108.666%0.65751%0.508SS*.Hα-helixtrans-59-41176.3-169174.8-178.1176.70112.1E601 E602 R603 L608 E609E601-K605 WeakPolarHBondContact O-CB 3.41Å; E601-K605 PolarHBondContact O-N 2.94Å; E602-K605 PolarHBondContact O-N 3.34Å; R603-K605 VanDerWaalsContact C-N 3.33Å; R603-K605 PolarHBondContact O-N 3.21Å; K605-L608 PolarHBondContact O-N 3.39Å; K605-E609 WeakPolarHBondContact O-CG 3.32Å; K605-E609 PolarHBondContact O-N 2.91Å
606K91.9Very high86.9Confident143 Ų143111.5 Ų111.562%0.62252%0.515SS*.Hα-helixtrans-65.1-43.1175.1-74170-176167.70112.3E602 R603 Y604 L608 E609 K610E602-K606 WeakPolarHBondContact O-CG 3.45Å; E602-K606 PolarHBondContact O-N 3.05Å; R603-K606 WeakPolarHBondContact O-CB 3.37Å; R603-K606 PolarHBondContact O-N 3.04Å; Y604-K606 VanDerWaalsContact C-N 3.31Å; Y604-K606 PolarHBondContact O-N 3.34Å; K606-L608 VanDerWaalsContact C-N 3.32Å; K606-E609 PolarHBondContact O-N 3.42Å; K606-K610 WeakPolarHBondContact O-CB 3.4Å; K606-K610 PolarHBondContact O-N 3.47Å
607Y88.9Confident85.7Confident158 Ų158113.3 Ų113.362%0.6253%0.53SS*.Hα-helixtrans-63.2-40.4175.2-69.5-52.8000112R603 Y604 K610 A611R603-Y607 HydrophobicContact CB-CE2 4.37Å; R603-Y607 WeakPolarHBondContact O-CD2 3.38Å; R603-Y607 PolarHBondContact O-N 3.04Å; Y604-Y607 PolarHBondContact O-N 3.37Å; Y607-K610 WeakPolarHBondContact O-CB 3.42Å; Y607-K610 PolarHBondContact O-N 2.67Å; Y607-A611 PolarHBondContact O-N 3.2Å
608L87.4Confident84.1Confident102 Ų102114.3 Ų114.353%0.53454%0.537SS..Hα-helixtrans-66.6-41.2179.4-148.3123.4000111.6Y604 K605 K606 A611 K612Y604-L608 WeakPolarHBondContact O-CB 3.44Å; Y604-L608 PolarHBondContact O-N 2.88Å; K605-L608 PolarHBondContact O-N 3.39Å; K606-L608 VanDerWaalsContact C-N 3.32Å; L608-A611 PolarHBondContact O-N 3.32Å; L608-K612 WeakPolarHBondContact O-CG 3.48Å; L608-K612 PolarHBondContact O-N 2.94Å
609E87.4Confident81.9Confident81 Ų81112 Ų11238%0.37953%0.531SS..Hα-helixtrans-66.4-36.1172.2-75.1-55.4134.500112.6K605 K606 K612 S613 R616K605-E609 WeakPolarHBondContact O-CG 3.32Å; K605-E609 PolarHBondContact O-N 2.91Å; K606-E609 PolarHBondContact O-N 3.42Å; E609-K612 PolarHBondContact O-N 3.38Å; E609-K612 WeakPolarHBondContact OE1-CD 3.48Å; E609-K612 IonicContact OE1-NZ 3.85Å; E609-K612 PolarHBondContact OE1-NZ 2.96Å; E609-S613 WeakPolarHBondContact O-CB 3.42Å; E609-S613 PolarHBondContact O-N 3.39Å; E609-R616 IonicContact OE2-NH2 3.58Å
610K87.9Confident79.9Confident150 Ų150112.9 Ų112.965%0.65254%0.544SS*.Hα-helixtrans-64.5-43.4173.9-165.7174.7-177.6-177.80111.3K606 Y607 S613 V614K606-K610 WeakPolarHBondContact O-CB 3.4Å; K606-K610 PolarHBondContact O-N 3.47Å; Y607-K610 WeakPolarHBondContact O-CB 3.42Å; Y607-K610 PolarHBondContact O-N 2.67Å; K610-S613 WeakPolarHBondContact O-CB 3.36Å; K610-S613 PolarHBondContact O-N 2.91Å; K610-V614 WeakPolarHBondContact O-CG2 3.42Å; K610-V614 PolarHBondContact O-N 3.25Å
611A80.8Confident78Confident51 Ų51117.3 Ų117.342%0.42156%0.561SS.*Hα-helixtrans-61.6-46.2174.200000111.6Y607 L608 S613 V614 I615Y607-A611 PolarHBondContact O-N 3.2Å; L608-A611 PolarHBondContact O-N 3.32Å; A611-S613 VanDerWaalsContact C-N 3.29Å; A611-S613 PolarHBondContact O-N 3.44Å; A611-V614 PolarHBondContact O-N 2.84Å; A611-I615 VanDerWaalsContact O-CG1 3.28Å; A611-I615 WeakPolarHBondContact O-CG1 3.27Å; A611-I615 PolarHBondContact O-N 3.47Å
612K83Confident76.3Confident92 Ų92120.8 Ų120.840%0.458%0.577SS.*Hα-helixtrans-59.8-37.1173.7-73.5174.1-175.7167.90112.8L608 E609 R616L608-K612 WeakPolarHBondContact O-CG 3.48Å; L608-K612 PolarHBondContact O-N 2.94Å; E609-K612 PolarHBondContact O-N 3.38Å; E609-K612 WeakPolarHBondContact OE1-CD 3.48Å; E609-K612 IonicContact OE1-NZ 3.85Å; E609-K612 PolarHBondContact OE1-NZ 2.96Å; K612-R616 WeakPolarHBondContact O-CB 3.36Å; K612-R616 WeakPolarHBondContact O-CG 3.32Å; K612-R616 PolarHBondContact O-N 3.03Å; K612-R616 PolarHBondContact O-NE 2.96Å
613S81Confident73.9Confident59 Ų59122 Ų12241%0.41359%0.588SS.*Hα-helixtrans-65.4-46.3175.7-166.20000111.4E609 K610 A611 I615 R616 T617E609-S613 WeakPolarHBondContact O-CB 3.42Å; E609-S613 PolarHBondContact O-N 3.39Å; K610-S613 WeakPolarHBondContact O-CB 3.36Å; K610-S613 PolarHBondContact O-N 2.91Å; A611-S613 VanDerWaalsContact C-N 3.29Å; A611-S613 PolarHBondContact O-N 3.44Å; S613-I615 PolarHBondContact O-N 3.4Å; S613-R616 WeakPolarHBondContact O-CB 3.5Å; S613-R616 PolarHBondContact O-N 3.03Å; S613-T617 PolarHBondContact O-N 2.88Å; S613-T617 PolarHBondContact O-OG1 3.35Å
614V80.9Confident71.9Confident69 Ų69124.9 Ų124.942%0.41861%0.607SS.*Hα-helixtrans-62.3-43.1177171.20000111.2K610 A611 R616 T617 L618K610-V614 WeakPolarHBondContact O-CG2 3.42Å; K610-V614 PolarHBondContact O-N 3.25Å; A611-V614 PolarHBondContact O-N 2.84Å; V614-R616 PolarHBondContact O-N 3.4Å; V614-T617 VanDerWaalsContact CA-OG1 3.3Å; V614-T617 WeakPolarHBondContact CA-OG1 3.36Å; V614-T617 PolarHBondContact O-N 2.98Å; V614-T617 PolarHBondContact O-OG1 2.85Å; V614-L618 HydrophobicContact CG1-CD1 3.61Å; V614-L618 HydrophobicContact CG1-CG 4.43Å; V614-L618 WeakPolarHBondContact O-CB 3.37Å; V614-L618 WeakPolarHBondContact O-CG 3.48Å; V614-L618 PolarHBondContact O-N 3.15Å
615I74.1Confident70.4Confident113 Ų113121.1 Ų121.158%0.57961%0.614SS**Hα-helixtrans-60.8-43.6174-68.1165.2000110.7A611 S613 T617 L618 D619A611-I615 VanDerWaalsContact O-CG1 3.28Å; A611-I615 WeakPolarHBondContact O-CG1 3.27Å; A611-I615 PolarHBondContact O-N 3.47Å; S613-I615 PolarHBondContact O-N 3.4Å; I615-T617 VanDerWaalsContact C-N 3.31Å; I615-T617 PolarHBondContact O-N 2.86Å; I615-L618 CarbonylContact O-C 3.46Å; I615-L618 PolarHBondContact O-N 3.25Å; I615-L618 VanDerWaalsContact O-N 3.17Å; I615-D619 WeakPolarHBondContact O-CB 3.42Å; I615-D619 PolarHBondContact O-N 3.45Å
616R74.5Confident68.2Low158 Ų158118.1 Ų118.160%0.59661%0.612SS**Hα-helixtrans-62.5-35.5175.6-82.7-177.5-74-139-1.9113E609 K612 S613 V614 L618E609-R616 IonicContact OE2-NH2 3.58Å; K612-R616 WeakPolarHBondContact O-CB 3.36Å; K612-R616 WeakPolarHBondContact O-CG 3.32Å; K612-R616 PolarHBondContact O-N 3.03Å; K612-R616 PolarHBondContact O-NE 2.96Å; S613-R616 WeakPolarHBondContact O-CB 3.5Å; S613-R616 PolarHBondContact O-N 3.03Å; V614-R616 PolarHBondContact O-N 3.4Å; R616-L618 VanDerWaalsContact C-N 3.35Å
617T68.8Low66.9Low111 Ų111113.1 Ų113.168%0.68160%0.601SS**Hα-helixtrans-78.3-19175.9500000113.7S613 V614 I615S613-T617 PolarHBondContact O-N 2.88Å; S613-T617 PolarHBondContact O-OG1 3.35Å; V614-T617 VanDerWaalsContact CA-OG1 3.3Å; V614-T617 WeakPolarHBondContact CA-OG1 3.36Å; V614-T617 PolarHBondContact O-N 2.98Å; V614-T617 PolarHBondContact O-OG1 2.85Å; I615-T617 VanDerWaalsContact C-N 3.31Å; I615-T617 PolarHBondContact O-N 2.86Å
618L56Low65.6Low131 Ų131111.4 Ų111.469%0.68661%0.609SS**Hα-helixtrans-98.1-3.4175-70.3167.8000112.7V614 I615 R616 P620V614-L618 HydrophobicContact CG1-CD1 3.61Å; V614-L618 HydrophobicContact CG1-CG 4.43Å; V614-L618 WeakPolarHBondContact O-CB 3.37Å; V614-L618 WeakPolarHBondContact O-CG 3.48Å; V614-L618 PolarHBondContact O-N 3.15Å; I615-L618 CarbonylContact O-C 3.46Å; I615-L618 PolarHBondContact O-N 3.25Å; I615-L618 VanDerWaalsContact O-N 3.17Å; R616-L618 VanDerWaalsContact C-N 3.35Å; L618-P620 VanDerWaalsContact O-CD 3.26Å; L618-P620 WeakPolarHBondContact O-CD 3.06Å
619D47.6Very low64.2Low73 Ų73113.9 Ų113.939%0.3962%0.618SS.*  trans-72.3114.1178.7-163.5-7.2000109.6I615 K621I615-D619 WeakPolarHBondContact O-CB 3.42Å; I615-D619 PolarHBondContact O-N 3.45Å; D619-K621 PolarHBondContact O-N 3.42Å; D619-K621 WeakPolarHBondContact OD1-CG 3.48Å
620P50.2Low63.2Low106 Ų106113.6 Ų113.669%0.68862%0.622SS**G310 helixtrans-68.31.8-175.1-16.630.6000114.4L618 Q622 N623L618-P620 VanDerWaalsContact O-CD 3.26Å; L618-P620 WeakPolarHBondContact O-CD 3.06Å; P620-Q622 PolarHBondContact O-N 3.2Å; P620-Q622 VanDerWaalsContact O-N 3.12Å; P620-N623 PolarHBondContact O-N 2.93Å
621K47.8Very low62.4Low183 Ų183111.1 Ų111.180%0.79661%0.613SS**G310 helixtrans-67.7-6.9-175.4-75.3179.9-178.2169.60115.3D619D619-K621 PolarHBondContact O-N 3.42Å; D619-K621 WeakPolarHBondContact OD1-CG 3.48Å
622Q50.2Low62.2Low192 Ų192111 Ų11190%0.89761%0.612SS**G310 helixtrans-101.4-2.4175-97.8-177.3-15.300115.4P620P620-Q622 PolarHBondContact O-N 3.2Å; P620-Q622 VanDerWaalsContact O-N 3.12Å
623N41.8Very low61.7Low147 Ų147111.6 Ų111.679%0.78662%0.619SS**SBendtrans-101.9110.4175.9-136.616.9000110.6P620 G625P620-N623 PolarHBondContact O-N 2.93Å; N623-G625 PolarHBondContact O-N 2.95Å
624Q50.4Low61.4Low202 Ų202114.8 Ų114.894%0.94463%0.625SS**SBendtrans-63.6106.2176.4-74.9178.92.600110.2
625G55.7Low61.4Low72 Ų72115.5 Ų115.574%0.74263%0.627SS**  trans143.268.2171.200000113.3N623N623-G625 PolarHBondContact O-N 2.95Å
626S46.6Very low61.9Low88 Ų88115.9 Ų115.962%0.61563%0.626SS**  trans-76.9122.8165.74.30000108.6
627G63.6Low62.3Low38 Ų38113.7 Ų113.739%0.39263%0.626SS.*  trans-60.5159.6-177.700000114.1E629 V630G627-E629 PolarHBondContact O-N 2.88Å; G627-E629 VanDerWaalsContact O-N 3.07Å; G627-V630 PolarHBondContact O-N 3.1Å
628P61.3Low63.2Low121 Ų121112.9 Ų112.979%0.78661%0.614SS**Hα-helixtrans-58.3-24.5-172.418.8-30000114.7A632P628-A632 WeakPolarHBondContact O-CB 3.48Å; P628-A632 PolarHBondContact O-N 2.91Å
629E59.8Low64.6Low154 Ų154112.6 Ų112.672%0.7261%0.609SS**Hα-helixtrans-72-38.9-179.8-167.6168.2-161.400113.1G627 Q631 A632 L633G627-E629 PolarHBondContact O-N 2.88Å; G627-E629 VanDerWaalsContact O-N 3.07Å; E629-Q631 VanDerWaalsContact C-N 3.3Å; E629-Q631 PolarHBondContact O-N 2.88Å; E629-A632 PolarHBondContact O-N 3.41Å; E629-L633 WeakPolarHBondContact O-CG 3.42Å; E629-L633 PolarHBondContact O-N 3.35Å
630V64.5Low66.4Low75 Ų75115.7 Ų115.746%0.45562%0.619SS.*Hα-helixtrans-69.2-33.8176.51790000110.8G627 K634G627-V630 PolarHBondContact O-N 3.1Å; V630-K634 WeakPolarHBondContact O-CB 3.41Å; V630-K634 WeakPolarHBondContact O-CG 3.43Å; V630-K634 PolarHBondContact O-N 2.86Å
631Q72.6Confident68.2Low98 Ų98115.5 Ų115.546%0.45861%0.609SS.*Hα-helixtrans-71-37.4174.9-164.76616.300111.7E629 K634 N635E629-Q631 VanDerWaalsContact C-N 3.3Å; E629-Q631 PolarHBondContact O-N 2.88Å; Q631-K634 PolarHBondContact O-N 3.41Å; Q631-N635 VanDerWaalsContact O-CG 3.28Å; Q631-N635 PolarHBondContact O-N 3.27Å
632A75.5Confident70.3Confident50 Ų50114 Ų11441%0.41360%0.599SS.*Hα-helixtrans-64.7-43.1174.200000112.1P628 E629 N635 Q636P628-A632 WeakPolarHBondContact O-CB 3.48Å; P628-A632 PolarHBondContact O-N 2.91Å; E629-A632 PolarHBondContact O-N 3.41Å; A632-N635 PolarHBondContact O-N 3.29Å; A632-Q636 PolarHBondContact O-N 3.32Å
633L73.7Confident72.2Confident103 Ų103109.8 Ų109.854%0.53958%0.58SS.*Hα-helixtrans-65.8-39.2176.4-71.8170.6000112.2E629 N635 Q636 L637E629-L633 WeakPolarHBondContact O-CG 3.42Å; E629-L633 PolarHBondContact O-N 3.35Å; L633-N635 VanDerWaalsContact C-N 3.34Å; L633-N635 PolarHBondContact O-N 3.42Å; L633-Q636 PolarHBondContact O-N 3Å; L633-L637 WeakPolarHBondContact O-CB 3.48Å; L633-L637 PolarHBondContact O-N 2.93Å
634K73.8Confident74.2Confident127 Ų127107.8 Ų107.855%0.55257%0.569SS**Hα-helixtrans-61.2-41.8171.8-83-178176.9176.50112.4V630 Q631 L637 Q638V630-K634 WeakPolarHBondContact O-CB 3.41Å; V630-K634 WeakPolarHBondContact O-CG 3.43Å; V630-K634 PolarHBondContact O-N 2.86Å; Q631-K634 PolarHBondContact O-N 3.41Å; K634-L637 PolarHBondContact O-N 2.99Å; K634-Q638 WeakPolarHBondContact O-CB 3.5Å; K634-Q638 PolarHBondContact O-N 3.17Å
635N80.6Confident76.2Confident84 Ų84103.3 Ų103.345%0.44955%0.55SS.*Hα-helixtrans-66.4-41.8177.7-73-12000111.6Q631 A632 L633 Q638 E639Q631-N635 VanDerWaalsContact O-CG 3.28Å; Q631-N635 PolarHBondContact O-N 3.27Å; A632-N635 PolarHBondContact O-N 3.29Å; L633-N635 VanDerWaalsContact C-N 3.34Å; L633-N635 PolarHBondContact O-N 3.42Å; N635-Q638 PolarHBondContact O-N 3.01Å; N635-E639 WeakPolarHBondContact O-CB 3.26Å; N635-E639 PolarHBondContact O-N 3.26Å
636Q84.8Confident77.8Confident121 Ų121103.2 Ų103.257%0.56554%0.538SS*.Hα-helixtrans-63.1-42.3174.7-80.7-174.2-3.700112.3A632 L633 Q638 E639 K640A632-Q636 PolarHBondContact O-N 3.32Å; L633-Q636 PolarHBondContact O-N 3Å; Q636-Q638 VanDerWaalsContact C-N 3.32Å; Q636-Q638 PolarHBondContact O-N 3.04Å; Q636-E639 PolarHBondContact O-N 3.17Å; Q636-K640 WeakPolarHBondContact O-CB 3.31Å; Q636-K640 VanDerWaalsContact O-CG 3.27Å; Q636-K640 WeakPolarHBondContact O-CG 3.39Å; Q636-K640 PolarHBondContact O-N 2.81Å
637L83.1Confident79.8Confident112 Ų112103.7 Ų103.759%0.58653%0.533SS*.Hα-helixtrans-61.1-45.1176.8-165.478.8000110.7L633 K634 E639 K640 E641L633-L637 WeakPolarHBondContact O-CB 3.48Å; L633-L637 PolarHBondContact O-N 2.93Å; K634-L637 PolarHBondContact O-N 2.99Å; L637-E639 VanDerWaalsContact C-N 3.3Å; L637-E639 PolarHBondContact O-N 3.25Å; L637-K640 PolarHBondContact O-N 3.13Å; L637-E641 WeakPolarHBondContact O-CG 3.49Å; L637-E641 PolarHBondContact O-N 3.45Å
638Q86.9Confident81Confident94 Ų94107.4 Ų107.444%0.43954%0.541SS..Hα-helixtrans-66.8-31.6179.2-152.6-176.137.400112.6K634 N635 Q636 R642K634-Q638 WeakPolarHBondContact O-CB 3.5Å; K634-Q638 PolarHBondContact O-N 3.17Å; N635-Q638 PolarHBondContact O-N 3.01Å; Q636-Q638 VanDerWaalsContact C-N 3.32Å; Q636-Q638 PolarHBondContact O-N 3.04Å; Q638-R642 WeakPolarHBondContact O-CG 3.34Å; Q638-R642 PolarHBondContact O-N 3.1Å; Q638-R642 VanDerWaalsContact O-N 3.08Å; Q638-R642 VanDerWaalsContact OE1-NH2 3.13Å
639E86.5Confident82.5Confident125 Ų125109.2 Ų109.258%0.58454%0.536SS*.Hα-helixtrans-73.1-38.3174.6-169.2161.1-155.100111.8N635 Q636 L637 R642 M643N635-E639 WeakPolarHBondContact O-CB 3.26Å; N635-E639 PolarHBondContact O-N 3.26Å; Q636-E639 PolarHBondContact O-N 3.17Å; L637-E639 VanDerWaalsContact C-N 3.3Å; L637-E639 PolarHBondContact O-N 3.25Å; E639-R642 PolarHBondContact O-N 3.08Å; E639-M643 WeakPolarHBondContact O-CB 3.42Å; E639-M643 PolarHBondContact O-N 2.88Å
640K85Confident83.8Confident137 Ų137107.7 Ų107.760%0.59653%0.529SS*.Hα-helixtrans-65.8-40.1172.4-70.2-72.3-178.5177.30112.1Q636 L637 M643 L644Q636-K640 WeakPolarHBondContact O-CB 3.31Å; Q636-K640 VanDerWaalsContact O-CG 3.27Å; Q636-K640 WeakPolarHBondContact O-CG 3.39Å; Q636-K640 PolarHBondContact O-N 2.81Å; L637-K640 PolarHBondContact O-N 3.13Å; K640-M643 PolarHBondContact O-N 3.4Å; K640-L644 PolarHBondContact O-N 3.4Å
641E87.6Confident85Confident103 Ų103110 Ų11048%0.48154%0.536SS..Hα-helixtrans-61.8-43.7172.8-77.4176168.300111.6L637 M643 L644 I645L637-E641 WeakPolarHBondContact O-CG 3.49Å; L637-E641 PolarHBondContact O-N 3.45Å; E641-M643 VanDerWaalsContact C-N 3.31Å; E641-M643 PolarHBondContact O-N 3.24Å; E641-L644 PolarHBondContact O-N 3.18Å; E641-I645 WeakPolarHBondContact O-CG1 3.22Å; E641-I645 PolarHBondContact O-N 3.39Å
642R91.4Very high85.8Confident152 Ų152110.3 Ų110.357%0.57454%0.541SS*.Hα-helixtrans-62.8-38.7174.1-75-178.2-130.9159.11.8112.3Q638 E639 S646Q638-R642 WeakPolarHBondContact O-CG 3.34Å; Q638-R642 PolarHBondContact O-N 3.1Å; Q638-R642 VanDerWaalsContact O-N 3.08Å; Q638-R642 VanDerWaalsContact OE1-NH2 3.13Å; E639-R642 PolarHBondContact O-N 3.08Å; R642-S646 WeakPolarHBondContact O-CB 3.37Å; R642-S646 PolarHBondContact O-N 2.91Å
643M91.4Very high86.6Confident103 Ų103114.5 Ų114.551%0.50755%0.55SS..Hα-helixtrans-66.2-41.6176.9-173177.4-77.100111.5E639 K640 E641 S646 L647E639-M643 WeakPolarHBondContact O-CB 3.42Å; E639-M643 PolarHBondContact O-N 2.88Å; K640-M643 PolarHBondContact O-N 3.4Å; E641-M643 VanDerWaalsContact C-N 3.31Å; E641-M643 PolarHBondContact O-N 3.24Å; M643-S646 PolarHBondContact O-N 2.83Å; M643-L647 HydrophobicContact CG-CD1 4.19Å; M643-L647 WeakPolarHBondContact O-CB 3.42Å; M643-L647 WeakPolarHBondContact O-CG 3.38Å; M643-L647 PolarHBondContact O-N 3.45Å
644L84.2Confident87.4Confident104 Ų104112.8 Ų112.855%0.54554%0.544SS..Hα-helixtrans-59.1-50.1173.9-89.7166000111.5K640 E641 S646 L647 E648K640-L644 PolarHBondContact O-N 3.4Å; E641-L644 PolarHBondContact O-N 3.18Å; L644-S646 VanDerWaalsContact C-N 3.25Å; L644-S646 PolarHBondContact O-N 2.93Å; L644-L647 PolarHBondContact O-N 3.39Å; L644-L647 VanDerWaalsContact O-N 3.13Å; L644-E648 WeakPolarHBondContact O-CG 3.49Å; L644-E648 PolarHBondContact O-N 2.89Å
645I91.1Very high88.2Confident109 Ų109112.3 Ų112.356%0.55954%0.542SS*.Hα-helixtrans-59.6-38.1177.5-66.1165.9000111.2E641 K649E641-I645 WeakPolarHBondContact O-CG1 3.22Å; E641-I645 PolarHBondContact O-N 3.39Å; I645-K649 WeakPolarHBondContact O-CB 3.39Å; I645-K649 PolarHBondContact O-N 3.2Å; I645-K649 VanDerWaalsContact O-N 3.1Å
646S89.9Confident88.7Confident69 Ų69112 Ų11248%0.48355%0.546SS..Hα-helixtrans-67.2-43176.7-169.20000112.1R642 M643 L644 K649 E650R642-S646 WeakPolarHBondContact O-CB 3.37Å; R642-S646 PolarHBondContact O-N 2.91Å; M643-S646 PolarHBondContact O-N 2.83Å; L644-S646 VanDerWaalsContact C-N 3.25Å; L644-S646 PolarHBondContact O-N 2.93Å; S646-K649 PolarHBondContact O-N 3.41Å; S646-E650 PolarHBondContact O-N 3.34Å
647L89Confident88.8Confident99 Ų99111.1 Ų111.152%0.51854%0.542SS..Hα-helixtrans-66.6-41.2178.4-76.1170.1000111.7M643 L644 K649 E650 M651M643-L647 HydrophobicContact CG-CD1 4.19Å; M643-L647 WeakPolarHBondContact O-CB 3.42Å; M643-L647 WeakPolarHBondContact O-CG 3.38Å; M643-L647 PolarHBondContact O-N 3.45Å; L644-L647 PolarHBondContact O-N 3.39Å; L644-L647 VanDerWaalsContact O-N 3.13Å; L647-K649 VanDerWaalsContact C-N 3.3Å; L647-K649 PolarHBondContact O-N 2.96Å; L647-E650 PolarHBondContact O-N 3.26Å; L647-M651 WeakPolarHBondContact O-CB 3.44Å; L647-M651 PolarHBondContact O-N 3.46Å
648E88.6Confident89Confident116 Ų116112.4 Ų112.454%0.54254%0.539SS..Hα-helixtrans-58-45.2173.2-75.1175.5169.200110.9L644 E650 M651 D652L644-E648 WeakPolarHBondContact O-CG 3.49Å; L644-E648 PolarHBondContact O-N 2.89Å; E648-E650 PolarHBondContact O-N 2.94Å; E648-M651 PolarHBondContact O-N 3.4Å; E648-D652 PolarHBondContact O-N 3.13Å
649K91.9Very high89.2Confident159 Ų159111.3 Ų111.369%0.69154%0.536SS*.Hα-helixtrans-65-37.7177.7-169.2176.3-1781780113I645 S646 L647 K653I645-K649 WeakPolarHBondContact O-CB 3.39Å; I645-K649 PolarHBondContact O-N 3.2Å; I645-K649 VanDerWaalsContact O-N 3.1Å; S646-K649 PolarHBondContact O-N 3.41Å; L647-K649 VanDerWaalsContact C-N 3.3Å; L647-K649 PolarHBondContact O-N 2.96Å; K649-K653 WeakPolarHBondContact O-CB 3.48Å; K649-K653 PolarHBondContact O-N 3.48Å
650E88.4Confident89.4Confident122 Ų122110.8 Ų110.857%0.5753%0.534SS*.Hα-helixtrans-68.5-37173.5-73.5-151.9144.100112.1S646 L647 E648 K653 T654S646-E650 PolarHBondContact O-N 3.34Å; L647-E650 PolarHBondContact O-N 3.26Å; E648-E650 PolarHBondContact O-N 2.94Å; E650-K653 PolarHBondContact O-N 3.28Å; E650-T654 WeakPolarHBondContact O-CB 3.41Å; E650-T654 PolarHBondContact O-N 2.91Å; E650-T654 PolarHBondContact O-OG1 3.02Å
651M88.3Confident89.6Confident124 Ų124109.8 Ų109.861%0.61153%0.531SS*.Hα-helixtrans-66.2-43177.6-154-173.670.400111.3L647 E648 T654 K655L647-M651 WeakPolarHBondContact O-CB 3.44Å; L647-M651 PolarHBondContact O-N 3.46Å; E648-M651 PolarHBondContact O-N 3.4Å; M651-T654 PolarHBondContact O-N 3.5Å; M651-K655 WeakPolarHBondContact O-CB 3.29Å; M651-K655 PolarHBondContact O-N 3.23Å
652D90.7Very high89.7Confident103 Ų103110.6 Ų110.655%0.55154%0.535SS*.Hα-helixtrans-63.1-40.9173.7-85.4-13.8000112.2E648 T654 K655 S656E648-D652 PolarHBondContact O-N 3.13Å; D652-T654 PolarHBondContact O-N 3.3Å; D652-K655 PolarHBondContact O-N 3.34Å; D652-S656 WeakPolarHBondContact O-CB 3.46Å; D652-S656 PolarHBondContact O-N 2.87Å
653K92.4Very high89.8Confident138 Ų138110.4 Ų110.460%0.654%0.538SS*.Hα-helixtrans-62.9-42.8174.8-171.9-178.9177.8-172.40111.5K649 E650 K655 S656 Q657K649-K653 WeakPolarHBondContact O-CB 3.48Å; K649-K653 PolarHBondContact O-N 3.48Å; E650-K653 PolarHBondContact O-N 3.28Å; K653-K655 VanDerWaalsContact C-N 3.34Å; K653-S656 PolarHBondContact O-N 3.24Å; K653-Q657 WeakPolarHBondContact O-CG 3.45Å; K653-Q657 PolarHBondContact O-N 3.12Å
654T89.7Confident89.8Confident68 Ų68110.3 Ų110.342%0.41754%0.539SS..Hα-helixtrans-66.2-37.7177.8-53.90000111.3E650 M651 D652 Q657 R658E650-T654 WeakPolarHBondContact O-CB 3.41Å; E650-T654 PolarHBondContact O-N 2.91Å; E650-T654 PolarHBondContact O-OG1 3.02Å; M651-T654 PolarHBondContact O-N 3.5Å; D652-T654 PolarHBondContact O-N 3.3Å; T654-Q657 PolarHBondContact O-N 3.41Å; T654-R658 PolarHBondContact O-N 3.29Å
655K91.7Very high90.1Very high116 Ų116110.3 Ų110.350%0.50454%0.539SS..Hα-helixtrans-64-46.9173.3-171.4178.9179.1-178.10111.2M651 D652 K653 Q657 R658 D659M651-K655 WeakPolarHBondContact O-CB 3.29Å; M651-K655 PolarHBondContact O-N 3.23Å; D652-K655 PolarHBondContact O-N 3.34Å; K653-K655 VanDerWaalsContact C-N 3.34Å; K655-Q657 VanDerWaalsContact C-N 3.31Å; K655-Q657 PolarHBondContact O-N 2.88Å; K655-R658 PolarHBondContact O-N 2.89Å; K655-D659 PolarHBondContact O-N 3.46Å
656S89.3Confident90Very high78 Ų78109.8 Ų109.855%0.54554%0.54SS..Hα-helixtrans-62.2-36.9176.8-173.30000112.8D652 K653 H660D652-S656 WeakPolarHBondContact O-CB 3.46Å; D652-S656 PolarHBondContact O-N 2.87Å; K653-S656 PolarHBondContact O-N 3.24Å; S656-H660 WeakPolarHBondContact O-CB 3.39Å; S656-H660 PolarHBondContact O-N 3.37Å
657Q87.6Confident90.1Very high102 Ų102109.4 Ų109.448%0.47754%0.538SS..Hα-helixtrans-64.9-46173-77.3177.7-21.100111.9K653 T654 K655 D659 H660 E661K653-Q657 WeakPolarHBondContact O-CG 3.45Å; K653-Q657 PolarHBondContact O-N 3.12Å; T654-Q657 PolarHBondContact O-N 3.41Å; K655-Q657 VanDerWaalsContact C-N 3.31Å; K655-Q657 PolarHBondContact O-N 2.88Å; Q657-D659 PolarHBondContact O-N 3.45Å; Q657-H660 WeakPolarHBondContact O-CB 3.31Å; Q657-H660 PolarHBondContact O-N 2.97Å; Q657-H660 VanDerWaalsContact O-N 3.14Å; Q657-E661 WeakPolarHBondContact O-CG 3.32Å; Q657-E661 PolarHBondContact O-N 2.84Å
658R88Confident90.1Very high139 Ų139107.5 Ų107.553%0.52554%0.536SS..Hα-helixtrans-58.9-46.1174.5-80.1-171.6-73.6162.5-6.5112.1T654 K655 H660 E661 E662T654-R658 PolarHBondContact O-N 3.29Å; K655-R658 PolarHBondContact O-N 2.89Å; R658-H660 PolarHBondContact O-N 2.89Å; R658-E661 PolarHBondContact O-N 3.37Å; R658-E662 WeakPolarHBondContact O-CB 3.47Å; R658-E662 WeakPolarHBondContact O-CG 3.48Å; R658-E662 PolarHBondContact O-N 2.91Å
659D90.3Very high90.1Very high72 Ų72111.7 Ų111.739%0.38555%0.547SS..Hα-helixtrans-61.3-33.9177.1-67.1-8.6000112K655 Q657 K663K655-D659 PolarHBondContact O-N 3.46Å; Q657-D659 PolarHBondContact O-N 3.45Å; D659-K663 WeakPolarHBondContact O-CD 3.45Å; D659-K663 VanDerWaalsContact O-CG 3.26Å; D659-K663 WeakPolarHBondContact O-CG 3.36Å; D659-K663 PolarHBondContact O-N 3.35Å; D659-K663 VanDerWaalsContact O-N 3.16Å
660H90.7Very high90Very high114 Ų114111.6 Ų111.653%0.52854%0.544SS..Hα-helixtrans-71.3-44.2175.1-17470.1000112S656 Q657 R658 K663 L664S656-H660 WeakPolarHBondContact O-CB 3.39Å; S656-H660 PolarHBondContact O-N 3.37Å; Q657-H660 WeakPolarHBondContact O-CB 3.31Å; Q657-H660 PolarHBondContact O-N 2.97Å; Q657-H660 VanDerWaalsContact O-N 3.14Å; R658-H660 PolarHBondContact O-N 2.89Å; H660-K663 PolarHBondContact O-N 3.2Å; H660-L664 WeakPolarHBondContact O-CG 3.12Å; H660-L664 PolarHBondContact O-N 3.4Å
661E90.6Very high90Very high116 Ų116109.7 Ų109.754%0.54254%0.537SS..Hα-helixtrans-60.6-43.9174.7-73.2176.9-176.500111.4Q657 R658 K663 L664 I665Q657-E661 WeakPolarHBondContact O-CG 3.32Å; Q657-E661 PolarHBondContact O-N 2.84Å; R658-E661 PolarHBondContact O-N 3.37Å; E661-K663 VanDerWaalsContact C-N 3.34Å; E661-K663 PolarHBondContact O-N 3.41Å; E661-L664 WeakPolarHBondContact O-CB 3.41Å; E661-L664 PolarHBondContact O-N 3.22Å; E661-L664 VanDerWaalsContact O-N 3.15Å; E661-I665 VanDerWaalsContact O-CG1 3.28Å; E661-I665 WeakPolarHBondContact O-CG1 3.42Å; E661-I665 PolarHBondContact O-N 3.23Å
662E89.1Confident90Very high119 Ų119109.4 Ų109.456%0.55654%0.536SS*.Hα-helixtrans-58.9-44.5175-76-178-17600111.5R658 L664 I665 V666R658-E662 WeakPolarHBondContact O-CB 3.47Å; R658-E662 WeakPolarHBondContact O-CG 3.48Å; R658-E662 PolarHBondContact O-N 2.91Å; E662-L664 VanDerWaalsContact C-N 3.33Å; E662-L664 PolarHBondContact O-N 2.93Å; E662-I665 PolarHBondContact O-N 3.05Å; E662-V666 WeakPolarHBondContact O-CB 3.13Å; E662-V666 VanDerWaalsContact O-CG2 3.26Å; E662-V666 WeakPolarHBondContact O-CG2 3.41Å; E662-V666 PolarHBondContact O-N 3.45Å
663K92.8Very high89.8Confident149 Ų149106 Ų10665%0.64853%0.525SS*.Hα-helixtrans-61.8-40.4175.5-74.8169.2-174.8171.50112.3D659 H660 E661 S667D659-K663 WeakPolarHBondContact O-CD 3.45Å; D659-K663 VanDerWaalsContact O-CG 3.26Å; D659-K663 WeakPolarHBondContact O-CG 3.36Å; D659-K663 PolarHBondContact O-N 3.35Å; D659-K663 VanDerWaalsContact O-N 3.16Å; H660-K663 PolarHBondContact O-N 3.2Å; E661-K663 VanDerWaalsContact C-N 3.34Å; E661-K663 PolarHBondContact O-N 3.41Å; K663-S667 WeakPolarHBondContact O-CB 3.27Å; K663-S667 PolarHBondContact O-N 2.93Å
664L90.9Very high89.5Confident100 Ų100103.9 Ų103.952%0.52452%0.518SS..Hα-helixtrans-65.5-42.8175.9-72174.9000111.4H660 E661 E662 S667 A668H660-L664 WeakPolarHBondContact O-CG 3.12Å; H660-L664 PolarHBondContact O-N 3.4Å; E661-L664 WeakPolarHBondContact O-CB 3.41Å; E661-L664 PolarHBondContact O-N 3.22Å; E661-L664 VanDerWaalsContact O-N 3.15Å; E662-L664 VanDerWaalsContact C-N 3.33Å; E662-L664 PolarHBondContact O-N 2.93Å; L664-S667 PolarHBondContact O-N 2.88Å; L664-A668 VanDerWaalsContact O-CB 3.31Å; L664-A668 WeakPolarHBondContact O-CB 3.31Å; L664-A668 PolarHBondContact O-N 2.83Å
665I90.8Very high89.4Confident104 Ų104104 Ų10453%0.53352%0.522SS..Hα-helixtrans-61.4-48.7176.1-68.8165.8000110E661 E662 S667 A668 W669E661-I665 VanDerWaalsContact O-CG1 3.28Å; E661-I665 WeakPolarHBondContact O-CG1 3.42Å; E661-I665 PolarHBondContact O-N 3.23Å; E662-I665 PolarHBondContact O-N 3.05Å; I665-S667 VanDerWaalsContact C-N 3.33Å; I665-S667 PolarHBondContact O-N 3.39Å; I665-A668 PolarHBondContact O-N 2.85Å; I665-W669 WeakPolarHBondContact O-CB 3.05Å; I665-W669 PolarHBondContact O-N 3.39Å
666V90.4Very high89.1Confident99 Ų99103.4 Ų103.460%0.652%0.524SS*.Hα-helixtrans-60-43.6178.21710000111E662 W669 Y670E662-V666 WeakPolarHBondContact O-CB 3.13Å; E662-V666 VanDerWaalsContact O-CG2 3.26Å; E662-V666 WeakPolarHBondContact O-CG2 3.41Å; E662-V666 PolarHBondContact O-N 3.45Å; V666-W669 PolarHBondContact O-N 2.96Å; V666-Y670 WeakPolarHBondContact O-CB 3.13Å; V666-Y670 PolarHBondContact O-N 3.38Å
667S90.8Very high88.7Confident61 Ų61106.8 Ų106.843%0.42753%0.531SS..Hα-helixtrans-64.5-43.2176.7-170.60000112.1K663 L664 I665 W669 Y670 N671K663-S667 WeakPolarHBondContact O-CB 3.27Å; K663-S667 PolarHBondContact O-N 2.93Å; L664-S667 PolarHBondContact O-N 2.88Å; I665-S667 VanDerWaalsContact C-N 3.33Å; I665-S667 PolarHBondContact O-N 3.39Å; S667-W669 VanDerWaalsContact C-N 3.34Å; S667-W669 PolarHBondContact O-N 3.4Å; S667-Y670 PolarHBondContact O-N 3.03Å; S667-N671 WeakPolarHBondContact O-CB 3.2Å; S667-N671 VanDerWaalsContact O-CG 3.25Å; S667-N671 PolarHBondContact O-N 3.06Å; S667-N671 PolarHBondContact O-ND2 3.13Å; S667-N671 VanDerWaalsContact O-ND2 3.16Å
668A89.4Confident88.6Confident59 Ų59108.2 Ų108.249%0.48854%0.535SS..Hα-helixtrans-62.7-41175.800000111.7L664 I665 N671 M672L664-A668 VanDerWaalsContact O-CB 3.31Å; L664-A668 WeakPolarHBondContact O-CB 3.31Å; L664-A668 PolarHBondContact O-N 2.83Å; I665-A668 PolarHBondContact O-N 2.85Å; A668-N671 PolarHBondContact O-N 3.22Å; A668-M672 VanDerWaalsContact O-CB 3.28Å; A668-M672 WeakPolarHBondContact O-CB 3.46Å; A668-M672 PolarHBondContact O-N 3.25Å
669W88.3Confident88.4Confident203 Ų203107.5 Ų107.577%0.76954%0.536SS*.Hα-helixtrans-65.7-44.1176.9-126.184.8000112I665 V666 S667 M672 G673I665-W669 WeakPolarHBondContact O-CB 3.05Å; I665-W669 PolarHBondContact O-N 3.39Å; V666-W669 PolarHBondContact O-N 2.96Å; S667-W669 VanDerWaalsContact C-N 3.34Å; S667-W669 PolarHBondContact O-N 3.4Å; W669-M672 PolarHBondContact O-N 3.12Å; W669-G673 PolarHBondContact O-N 3.5Å
670Y89.3Confident87.8Confident157 Ų157105.8 Ų105.862%0.61653%0.532SS*.Hα-helixtrans-61.6-46.6175.4-178.5-97000111.5V666 S667 M672 G673 M674V666-Y670 WeakPolarHBondContact O-CB 3.13Å; V666-Y670 PolarHBondContact O-N 3.38Å; S667-Y670 PolarHBondContact O-N 3.03Å; Y670-M672 PolarHBondContact O-N 2.97Å; Y670-G673 PolarHBondContact O-N 2.86Å; Y670-M674 HydrophobicContact CE1-CE 4.18Å; Y670-M674 HydrophobicContact CE1-SD 4.06Å; Y670-M674 WeakPolarHBondContact O-CB 3.39Å; Y670-M674 PolarHBondContact O-N 3.43Å
671N88.9Confident87.2Confident82 Ų82102.6 Ų102.644%0.43953%0.526SS..Hα-helixtrans-63.8-40.5177.4-73.5-30.6000112.2S667 A668 M674 S675S667-N671 WeakPolarHBondContact O-CB 3.2Å; S667-N671 VanDerWaalsContact O-CG 3.25Å; S667-N671 PolarHBondContact O-N 3.06Å; S667-N671 PolarHBondContact O-ND2 3.13Å; S667-N671 VanDerWaalsContact O-ND2 3.16Å; A668-N671 PolarHBondContact O-N 3.22Å; N671-M674 PolarHBondContact O-N 3.36Å; N671-S675 VanDerWaalsContact O-CB 3.32Å; N671-S675 WeakPolarHBondContact O-CB 3.22Å; N671-S675 PolarHBondContact O-N 3.48Å
672M87.8Confident86.6Confident119 Ų119102.1 Ų102.159%0.58652%0.523SS*.Hα-helixtrans-63.3-46.4174.1-176.166.188.100111A668 W669 Y670 M674 S675 L676A668-M672 VanDerWaalsContact O-CB 3.28Å; A668-M672 WeakPolarHBondContact O-CB 3.46Å; A668-M672 PolarHBondContact O-N 3.25Å; W669-M672 PolarHBondContact O-N 3.12Å; Y670-M672 PolarHBondContact O-N 2.97Å; M672-M674 VanDerWaalsContact C-N 3.33Å; M672-M674 PolarHBondContact O-N 3.26Å; M672-S675 WeakPolarHBondContact O-CB 3.17Å; M672-S675 PolarHBondContact O-N 3.06Å; M672-L676 HydrophobicContact CG-CD1 4.26Å; M672-L676 WeakPolarHBondContact O-CG 3.35Å; M672-L676 PolarHBondContact O-N 3.2Å
673G86.2Confident86Confident30 Ų30101 Ų10131%0.30952%0.521SS..Hα-helixtrans-59.5-43.2176.400000112.3W669 Y670 L676 Q677W669-G673 PolarHBondContact O-N 3.5Å; Y670-G673 PolarHBondContact O-N 2.86Å; G673-L676 PolarHBondContact O-N 2.77Å; G673-Q677 PolarHBondContact O-N 3.13Å
674M87.3Confident85Confident94 Ų94102.6 Ų102.646%0.46352%0.523SS..Hα-helixtrans-67.4-37.9176.8-164.6162.264.700111.9Y670 N671 M672 Q677 K678Y670-M674 HydrophobicContact CE1-CE 4.18Å; Y670-M674 HydrophobicContact CE1-SD 4.06Å; Y670-M674 WeakPolarHBondContact O-CB 3.39Å; Y670-M674 PolarHBondContact O-N 3.43Å; N671-M674 PolarHBondContact O-N 3.36Å; M672-M674 VanDerWaalsContact C-N 3.33Å; M672-M674 PolarHBondContact O-N 3.26Å; M674-Q677 PolarHBondContact O-N 2.7Å; M674-K678 VanDerWaalsContact O-CB 3.3Å; M674-K678 WeakPolarHBondContact O-CB 3.27Å; M674-K678 PolarHBondContact O-N 3.34Å
675S86.4Confident83.9Confident70 Ų70104.2 Ų104.249%0.4953%0.531SS..Hα-helixtrans-64.3-42.8173.5-172.50000111.9N671 M672 K678 K679N671-S675 VanDerWaalsContact O-CB 3.32Å; N671-S675 WeakPolarHBondContact O-CB 3.22Å; N671-S675 PolarHBondContact O-N 3.48Å; M672-S675 WeakPolarHBondContact O-CB 3.17Å; M672-S675 PolarHBondContact O-N 3.06Å; S675-K678 PolarHBondContact O-N 3.37Å; S675-K679 WeakPolarHBondContact O-CB 3.36Å; S675-K679 PolarHBondContact O-N 3.15Å
676L85.5Confident82.5Confident105 Ų105102.7 Ų102.755%0.5553%0.534SS..Hα-helixtrans-65.6-41.2175.3-72.8172.5000112M672 G673 K679 A680M672-L676 HydrophobicContact CG-CD1 4.26Å; M672-L676 WeakPolarHBondContact O-CG 3.35Å; M672-L676 PolarHBondContact O-N 3.2Å; G673-L676 PolarHBondContact O-N 2.77Å; L676-K679 PolarHBondContact O-N 3.29Å; L676-A680 VanDerWaalsContact O-CB 3.28Å; L676-A680 WeakPolarHBondContact O-CB 3.16Å; L676-A680 PolarHBondContact O-N 3.36Å
677Q82.5Confident80.9Confident149 Ų149104.5 Ų104.570%0.69654%0.541SS*.Hα-helixtrans-62.6-43.2173.1-103.5-174.8-10.900111.8G673 M674 A680 A681G673-Q677 PolarHBondContact O-N 3.13Å; M674-Q677 PolarHBondContact O-N 2.7Å; Q677-A680 PolarHBondContact O-N 3.23Å; Q677-A681 WeakPolarHBondContact O-CB 3.36Å; Q677-A681 PolarHBondContact O-N 3.07Å
678K84.4Confident79.3Confident132 Ų132105.7 Ų105.757%0.57455%0.546SS*.Hα-helixtrans-61.9-46.8176-175.5178173.9-176.10110.9M674 S675 A680 A681 E682M674-K678 VanDerWaalsContact O-CB 3.3Å; M674-K678 WeakPolarHBondContact O-CB 3.27Å; M674-K678 PolarHBondContact O-N 3.34Å; S675-K678 PolarHBondContact O-N 3.37Å; K678-A680 PolarHBondContact O-N 2.8Å; K678-A681 CarbonylContact O-C 3.59Å; K678-A681 WeakPolarHBondContact O-CB 3.45Å; K678-A681 PolarHBondContact O-N 3.46Å; K678-A681 VanDerWaalsContact O-N 3.15Å; K678-E682 WeakPolarHBondContact CE-OE1 3.38Å; K678-E682 HydrophobicContact CG-CG 4.49Å; K678-E682 WeakPolarHBondContact O-CB 3.44Å; K678-E682 WeakPolarHBondContact O-CG 3.5Å; K678-E682 PolarHBondContact O-N 2.87Å
679K83.7Confident77.6Confident123 Ų123105.1 Ų105.154%0.53555%0.545SS..Hα-helixtrans-61.2-42.8175.6-171176.1-179.3178.60111.8S675 L676 A681 E682 D683S675-K679 WeakPolarHBondContact O-CB 3.36Å; S675-K679 PolarHBondContact O-N 3.15Å; L676-K679 PolarHBondContact O-N 3.29Å; K679-A681 VanDerWaalsContact C-N 3.3Å; K679-A681 PolarHBondContact O-N 3.5Å; K679-E682 PolarHBondContact O-N 3.19Å; K679-D683 WeakPolarHBondContact O-CB 3.35Å; K679-D683 VanDerWaalsContact O-CG 3.3Å; K679-D683 PolarHBondContact O-N 2.83Å
680A78.8Confident76Confident37 Ų37100.7 Ų100.731%0.30655%0.545SS..Hα-helixtrans-67.2-29175.700000113.1L676 Q677 K678 R684L676-A680 VanDerWaalsContact O-CB 3.28Å; L676-A680 WeakPolarHBondContact O-CB 3.16Å; L676-A680 PolarHBondContact O-N 3.36Å; Q677-A680 PolarHBondContact O-N 3.23Å; K678-A680 PolarHBondContact O-N 2.8Å; A680-R684 VanDerWaalsContact O-CG 3.26Å; A680-R684 WeakPolarHBondContact O-CG 3.31Å; A680-R684 PolarHBondContact O-N 3.47Å; A680-R684 PolarHBondContact O-NE 3.41Å
681A77.1Confident74.3Confident47 Ų4796.3 Ų96.339%0.38855%0.548SS..Hα-helixtrans-75.5-41.1172.500000111.4Q677 K678 K679 R684 L685Q677-A681 WeakPolarHBondContact O-CB 3.36Å; Q677-A681 PolarHBondContact O-N 3.07Å; K678-A681 CarbonylContact O-C 3.59Å; K678-A681 WeakPolarHBondContact O-CB 3.45Å; K678-A681 PolarHBondContact O-N 3.46Å; K678-A681 VanDerWaalsContact O-N 3.15Å; K679-A681 VanDerWaalsContact C-N 3.3Å; K679-A681 PolarHBondContact O-N 3.5Å; A681-R684 PolarHBondContact O-N 3.18Å; A681-L685 WeakPolarHBondContact O-CD1 3.49Å; A681-L685 PolarHBondContact O-N 3.36Å
682E78.8Confident72.9Confident105 Ų10598.7 Ų98.749%0.49156%0.556SS.*Hα-helixtrans-63.7-42.4174.1-75173.8176.700111.5K678 K679 R684 L685 A686K678-E682 WeakPolarHBondContact CE-OE1 3.38Å; K678-E682 HydrophobicContact CG-CG 4.49Å; K678-E682 WeakPolarHBondContact O-CB 3.44Å; K678-E682 WeakPolarHBondContact O-CG 3.5Å; K678-E682 PolarHBondContact O-N 2.87Å; K679-E682 PolarHBondContact O-N 3.19Å; E682-R684 VanDerWaalsContact C-N 3.33Å; E682-R684 PolarHBondContact O-N 3.02Å; E682-L685 CarbonylContact O-C 3.57Å; E682-L685 PolarHBondContact O-N 3.04Å; E682-L685 VanDerWaalsContact O-N 3.16Å; E682-A686 VanDerWaalsContact O-CB 3.31Å; E682-A686 WeakPolarHBondContact O-CB 3.36Å; E682-A686 PolarHBondContact O-N 2.9Å
683D75.5Confident71.5Confident96 Ų9697 Ų9751%0.51356%0.556SS.*Hα-helixtrans-63.1-39.4174.3-75.3-20.6000111.1K679 A686 N687K679-D683 WeakPolarHBondContact O-CB 3.35Å; K679-D683 VanDerWaalsContact O-CG 3.3Å; K679-D683 PolarHBondContact O-N 2.83Å; D683-A686 PolarHBondContact O-N 3.35Å; D683-N687 WeakPolarHBondContact O-CB 3.41Å; D683-N687 PolarHBondContact O-N 2.79Å
684R71.9Confident70.3Confident183 Ų183103.8 Ų103.869%0.69158%0.577SS**Hα-helixtrans-64.9-38.9172.6-77.3-178.9-123.5-141.22.2112.4A680 A681 E682 T688A680-R684 VanDerWaalsContact O-CG 3.26Å; A680-R684 WeakPolarHBondContact O-CG 3.31Å; A680-R684 PolarHBondContact O-N 3.47Å; A680-R684 PolarHBondContact O-NE 3.41Å; A681-R684 PolarHBondContact O-N 3.18Å; E682-R684 VanDerWaalsContact C-N 3.33Å; E682-R684 PolarHBondContact O-N 3.02Å; R684-T688 PolarHBondContact O-N 3.02Å; R684-T688 VanDerWaalsContact O-N 3.17Å; R684-T688 PolarHBondContact O-OG1 2.83Å
685L67.6Low69Low133 Ų133104 Ų10470%0.69658%0.58SS**Hα-helixtrans-69.5-39174.9-104.882000112.2A681 E682 T688 G689A681-L685 WeakPolarHBondContact O-CD1 3.49Å; A681-L685 PolarHBondContact O-N 3.36Å; E682-L685 CarbonylContact O-C 3.57Å; E682-L685 PolarHBondContact O-N 3.04Å; E682-L685 VanDerWaalsContact O-N 3.16Å; L685-T688 VanDerWaalsContact CA-OG1 3.26Å; L685-T688 WeakPolarHBondContact CA-OG1 3.46Å; L685-T688 PolarHBondContact O-N 3.22Å; L685-T688 PolarHBondContact O-OG1 2.81Å; L685-G689 PolarHBondContact O-N 2.83Å
686A62.4Low67.6Low72 Ų72102.1 Ų102.160%0.59557%0.568SS**Hα-helixtrans-66.1-39.7176.500000110.9E682 D683 T688 G689E682-A686 VanDerWaalsContact O-CB 3.31Å; E682-A686 WeakPolarHBondContact O-CB 3.36Å; E682-A686 PolarHBondContact O-N 2.9Å; D683-A686 PolarHBondContact O-N 3.35Å; A686-T688 VanDerWaalsContact C-N 3.28Å; A686-T688 PolarHBondContact O-N 2.93Å; A686-G689 PolarHBondContact O-N 3.41Å; A686-G689 VanDerWaalsContact O-N 3.16Å
687N56.7Low66.4Low138 Ų138105.6 Ų105.674%0.73857%0.574SS**Hα-helixtrans-73.3-15.2175-117.521.6000114.1D683 G689 S690D683-N687 WeakPolarHBondContact O-CB 3.41Å; D683-N687 PolarHBondContact O-N 2.79Å; N687-G689 VanDerWaalsContact C-N 3.34Å; N687-S690 PolarHBondContact O-OG 3.26Å
688T56.6Low65.2Low86 Ų86104.4 Ų104.453%0.52857%0.569SS.*THydrogen-bonded Turntrans-87.7-3.7170.623.40000113R684 L685 A686R684-T688 PolarHBondContact O-N 3.02Å; R684-T688 VanDerWaalsContact O-N 3.17Å; R684-T688 PolarHBondContact O-OG1 2.83Å; L685-T688 VanDerWaalsContact CA-OG1 3.26Å; L685-T688 WeakPolarHBondContact CA-OG1 3.46Å; L685-T688 PolarHBondContact O-N 3.22Å; L685-T688 PolarHBondContact O-OG1 2.81Å; A686-T688 VanDerWaalsContact C-N 3.28Å; A686-T688 PolarHBondContact O-N 2.93Å
689G53.8Low63.9Low46 Ų46106.5 Ų106.547%0.47457%0.573SS.*THydrogen-bonded Turntrans-78.8-10.2178.900000115.8L685 A686 N687L685-G689 PolarHBondContact O-N 2.83Å; A686-G689 PolarHBondContact O-N 3.41Å; A686-G689 VanDerWaalsContact O-N 3.16Å; N687-G689 VanDerWaalsContact C-N 3.34Å
690S54.1Low62.7Low111 Ų111108 Ų10878%0.77658%0.582SS**THydrogen-bonded Turntrans-95.911.5-175.254.40000115N687N687-S690 PolarHBondContact O-OG 3.26Å
691G55.5Low61.6Low65 Ų65109.9 Ų109.967%0.6760%0.598SS**SBendtrans-156.227.9-175.600000117.6
692Q58.4Low60.6Low132 Ų132112.9 Ų112.962%0.61761%0.611SS**  trans-119.1123.3-178.1-71.3-77-2500112.1
693S58.9Low59.2Low82 Ų82112.8 Ų112.857%0.57362%0.622SS**  trans-66.5153.5-177.282.80000113.1L695 A696S693-L695 PolarHBondContact O-N 2.82Å; S693-A696 WeakPolarHBondContact O-CB 3.25Å; S693-A696 PolarHBondContact O-N 3.17Å
694F60.1Low58Low174 Ų174114.1 Ų114.176%0.76363%0.634SS**Hα-helixtrans-46.8-34.4-177.4-177.8-100000114.6A696 R697F694-A696 VanDerWaalsContact C-N 3.33Å; F694-A696 PolarHBondContact O-N 3.43Å; F694-R697 PolarHBondContact O-N 3.31Å
695L59.7Low56.8Low98 Ų98116.7 Ų116.751%0.51364%0.644SS.*Hα-helixtrans-72.2-17.8179.4-88.7157.1000114.9S693 R699S693-L695 PolarHBondContact O-N 2.82Å; L695-R699 PolarHBondContact O-NE 3.06Å
696A57.9Low56Low30 Ų30122 Ų12225%0.24865%0.654CS.*Hα-helixtrans-80.2-36.1176.300000111.7S693 F694 Q698 R699S693-A696 WeakPolarHBondContact O-CB 3.25Å; S693-A696 PolarHBondContact O-N 3.17Å; F694-A696 VanDerWaalsContact C-N 3.33Å; F694-A696 PolarHBondContact O-N 3.43Å; A696-Q698 VanDerWaalsContact C-N 3.35Å; A696-Q698 PolarHBondContact O-N 3.5Å; A696-R699 PolarHBondContact O-N 3.43Å
697R59.6Low54.9Low178 Ų178124.4 Ų124.467%0.67267%0.667SS**Hα-helixtrans-66-35.2175.2-78.3-172.6-165.6-162.12.9112.7F694 R699 Q700F694-R697 PolarHBondContact O-N 3.31Å; R697-R699 VanDerWaalsContact C-N 3.27Å; R697-R699 PolarHBondContact O-N 2.89Å; R697-Q700 PolarHBondContact O-N 3.02Å
698Q57.3Low54Low124 Ų124128.7 Ų128.758%0.57967%0.674SS**Hα-helixtrans-68.7-24.5-178-162.4170.917.700113.4A696A696-Q698 VanDerWaalsContact C-N 3.35Å; A696-Q698 PolarHBondContact O-N 3.5Å
699R58Low53.6Low176 Ų176130.5 Ų130.566%0.66469%0.688SS**Hα-helixtrans-83.9-23.4-179.5-69.9-175.6-117.4-139.53.3114.2L695 A696 R697 T702L695-R699 PolarHBondContact O-NE 3.06Å; A696-R699 PolarHBondContact O-N 3.43Å; R697-R699 VanDerWaalsContact C-N 3.27Å; R697-R699 PolarHBondContact O-N 2.89Å; R699-T702 PolarHBondContact O-OG1 2.99Å
700Q58.6Low52.9Low154 Ų154132.1 Ų132.172%0.7271%0.705SS**Hα-helixtrans-77.7-30.1177.5-71.4-176.4-13.800112.6R697 T702 S703R697-Q700 PolarHBondContact O-N 3.02Å; Q700-T702 PolarHBondContact O-N 2.87Å; Q700-S703 PolarHBondContact O-N 3Å
701A55.6Low52Low78 Ų78134.4 Ų134.465%0.64570%0.703SS**THydrogen-bonded Turntrans-66.7-18.5176.600000113.9T704A701-T704 PolarHBondContact O-OG1 3.15Å
702T56.4Low51.2Low110 Ų110138 Ų13868%0.67571%0.711SS**THydrogen-bonded Turntrans-92.4-13.8-178.241.20000114.6R699 Q700R699-T702 PolarHBondContact O-OG1 2.99Å; Q700-T702 PolarHBondContact O-N 2.87Å
703S49Very low50Low103 Ų103139 Ų13972%0.7272%0.716SS**THydrogen-bonded Turntrans-92.7-11.4-176-155.90000114.5Q700 R705Q700-S703 PolarHBondContact O-N 3Å; S703-R705 VanDerWaalsContact C-N 3.25Å; S703-R705 PolarHBondContact O-N 3.06Å
704T49.3Very low49.2Very low123 Ų123141 Ų14176%0.75573%0.727SS**THydrogen-bonded Turntrans-79.77.1-178.627.50000114.8A701A701-T704 PolarHBondContact O-OG1 3.15Å
705R47.6Very low47.9Very low237 Ų237137.9 Ų137.989%0.89473%0.733SS**THydrogen-bonded Turntrans-100.510.1-173-112-174.7-175-159.11.5116.8S703S703-R705 VanDerWaalsContact C-N 3.25Å; S703-R705 PolarHBondContact O-N 3.06Å
706R50.7Low46.8Very low245 Ų245139.5 Ų139.593%0.92575%0.747SS**  trans-137.4101.2171.9-83.6-173.9179.3179.2-0.1112
707S38.4Very low45.7Very low123 Ų123143 Ų14386%0.8678%0.776SS**  trans-146.4121.1151.8-1560000108.6
708Y37.7Very low44.6Very low227 Ų227139.4 Ų139.489%0.8978%0.778SS**  trans-97.7141.4173.2-112.3-93.2000108.3
709P48.2Very low43.7Very low124 Ų124141.4 Ų141.481%0.80579%0.793SS**  trans-89122.4-176.732.7-29.7000111.8
710G39.3Very low43Very low81 Ų81140.1 Ų140.184%0.83580%0.798SS**  trans-106.4100.7169.400000110.4
711H36.7Very low42.4Very low159 Ų159139.4 Ų139.474%0.73680%0.804SS**  trans-84.3122.4175.5-171.374.5000109.5
712V37.2Very low41.6Very low140 Ų140144.2 Ų144.285%0.84884%0.844SS**  trans-141.3114.1162-171.50000108.7
713Q34Very low40.8Very low154 Ų154146 Ų14672%0.7285%0.852SS**PPolyproline II helixtrans-71146.3171.4-73.3175.4-2600111.2
714P41.6Very low40.4Very low124 Ų124148.2 Ų148.281%0.80586%0.859SS**PPolyproline II helixtrans-90131.2164.230.8-24.3000111.4
715A33.2Very low39.9Very low107 Ų107149.6 Ų149.688%0.88487%0.865SS**PPolyproline II helixtrans-72.6129.7176.400000111.7
716T35.9Very low39.5Very low132 Ų132144.5 Ų144.581%0.8186%0.863SS**PPolyproline II helixtrans-83.4116.4170.747.90000110.1
717A35.9Very low38.8Very low103 Ų103138.2 Ų138.285%0.85186%0.86SS**  trans-94.6106.9166.400000109.2
718S37.1Very low38.8Very low103 Ų103139.2 Ų139.272%0.7286%0.86SS**  trans-83.3110.5170.4-49.10000108.8
719N38.4Very low38.9Very low167 Ų167132.9 Ų132.989%0.89386%0.857SS**  trans-95.9110.7161.9-95.3-21.9000108.4
720I43.4Very low38.2Very low149 Ų149133.6 Ų133.676%0.76486%0.861SS**  trans-98.1118.2163.4-68.2169.9000105.6
721T44.1Very low38.1Very low139 Ų139138 Ų13885%0.85386%0.864SS**  trans177.7146.3136.628.10000111.2
722A39.3Very low38.2Very low179 Ų179136.1 Ų136.1100%1.47988%0.875SS**  trans810-178.500000115.6

Retrieved 722 of 722 residues in 1031.9 ms (Link to these results)