A0A087XS66_POEFO Loading...

Chloride voltage-gated channel 2

AlphaFold DB , UniProt , Accession A0A087XS66, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 628 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
1M61.3Low80.6Confident136 Ų13674.4 Ų74.467%0.6740%0.4SS*.  0135.30-75.3-174.5-95.400107.6G3 L51 M55M1-G3 PolarHBondContact O-N 2.79Å; M1-L51 HydrophobicContact CE-CD2 3.87Å; M1-L51 HydrophobicContact CG-CD2 3.34Å; M1-L51 HydrophobicContact SD-CD2 3.43Å; M1-L51 WeakPolarHBondContact SD-CD2 3.33Å; M1-M55 HydrophobicContact SD-CB 4.4Å; M1-M55 HydrophobicContact SD-CG 4.14Å
2A64.4Low81.3Confident4 Ų474.1 Ų74.13%0.03340%0.402CS..  trans-73.845.2178.400000113.2Q4 L5 A37 W38A2-Q4 PolarHBondContact O-N 3.01Å; A2-L5 HydrophobicContact CB-CD1 3.96Å; A2-L5 HydrophobicContact CB-CG 4.32Å; A2-L5 PolarHBondContact O-N 3.32Å; A2-A37 WeakPolarHBondContact CA-O 3.22Å; A2-A37 HydrophobicContact CB-CB 3.8Å; A2-A37 WeakPolarHBondContact CB-O 3.38Å; A2-W38 HydrophobicContact CB-CD2 3.78Å; A2-W38 HydrophobicContact CB-CE3 4.25Å; A2-W38 HydrophobicContact CB-CG 4.11Å; A2-W38 HydrophobicContact CB-CZ2 4.11Å
3G70Confident82Confident70 Ų7068.4 Ų68.472%0.72237%0.371SS*.THydrogen-bonded Turntrans-74.4-6.2-17000000115.5M1M1-G3 PolarHBondContact O-N 2.79Å
4Q79.6Confident82.6Confident188 Ų18863.5 Ų63.588%0.87935%0.345SS*.THydrogen-bonded Turntrans-83.9-16.7173.2-70.7172-28.300112.7A2A2-Q4 PolarHBondContact O-N 3.01Å
5L82.1Confident83.2Confident24 Ų2461.9 Ų61.913%0.12633%0.334CS..SBendtrans-77.9138.8178.1-60-177.5000111.1A2 E9 S10 A13 H34 A37A2-L5 HydrophobicContact CB-CD1 3.96Å; A2-L5 HydrophobicContact CB-CG 4.32Å; A2-L5 PolarHBondContact O-N 3.32Å; L5-E9 HydrophobicContact CB-CB 4.22Å; L5-E9 HydrophobicContact CD2-CB 4.15Å; L5-S10 WeakPolarHBondContact CB-OG 3.38Å; L5-A13 HydrophobicContact CD1-CB 4.27Å; L5-H34 HydrophobicContact CD1-CB 4.27Å; L5-H34 HydrophobicContact CD2-CB 3.91Å; L5-A37 HydrophobicContact CD1-CB 4.11Å; L5-A37 HydrophobicContact CD2-CB 4.19Å; L5-A37 HydrophobicContact CG-CB 3.98Å
6T87.4Confident83.6Confident77 Ų7759.6 Ų59.647%0.47232%0.321SS..  trans-63.9170.4163.964.70000111.1H8 E9 S10T6-H8 VanDerWaalsContact C-N 3.29Å; T6-H8 PolarHBondContact O-N 2.76Å; T6-E9 WeakPolarHBondContact CB-OE2 3.12Å; T6-E9 VanDerWaalsContact CG2-OE2 3.22Å; T6-E9 WeakPolarHBondContact CG2-OE2 3.37Å; T6-E9 PolarHBondContact N-OE2 2.62Å; T6-E9 VanDerWaalsContact OG1-CD 3.29Å; T6-E9 VanDerWaalsContact OG1-CG 3.31Å; T6-E9 WeakPolarHBondContact OG1-CG 3.13Å; T6-E9 PolarHBondContact OG1-N 3.28Å; T6-E9 PolarHBondContact OG1-OE2 2.57Å; T6-S10 VanDerWaalsContact O-CB 3.26Å; T6-S10 WeakPolarHBondContact O-CB 3.43Å; T6-S10 PolarHBondContact O-N 2.85Å; T6-S10 PolarHBondContact O-OG 3.35Å
7Q85.1Confident83.8Confident107 Ų10762.4 Ų62.450%0.534%0.336SS..Hα-helixtrans-61.8-37.7176.9-65-174300112.3L11Q7-L11 PolarHBondContact O-N 3.26Å; Q7-L11 VanDerWaalsContact O-N 3.15Å
8H87.6Confident83.8Confident135 Ų13566.1 Ų66.163%0.62534%0.344SS*.Hα-helixtrans-67.4-52.5178.4179.8-98.9000111.5T6 S10 L11 V12T6-H8 VanDerWaalsContact C-N 3.29Å; T6-H8 PolarHBondContact O-N 2.76Å; H8-S10 VanDerWaalsContact C-N 3.27Å; H8-S10 PolarHBondContact O-N 3.08Å; H8-L11 WeakPolarHBondContact O-CB 3.44Å; H8-L11 PolarHBondContact O-N 2.87Å; H8-V12 WeakPolarHBondContact O-CG2 3.15Å; H8-V12 PolarHBondContact O-N 2.79Å
9E89Confident83.9Confident57 Ų5765 Ų6527%0.26634%0.341SS..Hα-helixtrans-63.1-34.3178.2-61.4160.7122.900111.9L5 T6 L11 A13 H34L5-E9 HydrophobicContact CB-CB 4.22Å; L5-E9 HydrophobicContact CD2-CB 4.15Å; T6-E9 WeakPolarHBondContact CB-OE2 3.12Å; T6-E9 VanDerWaalsContact CG2-OE2 3.22Å; T6-E9 WeakPolarHBondContact CG2-OE2 3.37Å; T6-E9 PolarHBondContact N-OE2 2.62Å; T6-E9 VanDerWaalsContact OG1-CD 3.29Å; T6-E9 VanDerWaalsContact OG1-CG 3.31Å; T6-E9 WeakPolarHBondContact OG1-CG 3.13Å; T6-E9 PolarHBondContact OG1-N 3.28Å; T6-E9 PolarHBondContact OG1-OE2 2.57Å; E9-L11 VanDerWaalsContact C-N 3.29Å; E9-L11 PolarHBondContact O-N 3.2Å; E9-A13 WeakPolarHBondContact O-CB 3.4Å; E9-A13 PolarHBondContact O-N 3.02Å; E9-H34 IonicContact OE1-CE1 3.69Å; E9-H34 PolarHBondContact OE1-CE1 2.95Å; E9-H34 IonicContact OE1-ND1 2.8Å
10S89.6Confident83.9Confident1 Ų162.2 Ų62.21%0.00733%0.325CS..Hα-helixtrans-61.1-38.3172.7-61.60000112L5 T6 H8 L14L5-S10 WeakPolarHBondContact CB-OG 3.38Å; T6-S10 VanDerWaalsContact O-CB 3.26Å; T6-S10 WeakPolarHBondContact O-CB 3.43Å; T6-S10 PolarHBondContact O-N 2.85Å; T6-S10 PolarHBondContact O-OG 3.35Å; H8-S10 VanDerWaalsContact C-N 3.27Å; H8-S10 PolarHBondContact O-N 3.08Å; S10-L14 WeakPolarHBondContact O-CD1 3.36Å; S10-L14 VanDerWaalsContact O-CG 3.25Å; S10-L14 WeakPolarHBondContact O-CG 3.43Å; S10-L14 PolarHBondContact O-N 3.03Å
11L90.1Very high83.4Confident19 Ų1961.1 Ų61.110%0.09932%0.323CS..Hα-helixtrans-75.4-47.8-179.6-17665.2000111.6Q7 H8 E9 A13 L14 F15 M74 F77 L78 A81Q7-L11 PolarHBondContact O-N 3.26Å; Q7-L11 VanDerWaalsContact O-N 3.15Å; H8-L11 WeakPolarHBondContact O-CB 3.44Å; H8-L11 PolarHBondContact O-N 2.87Å; E9-L11 VanDerWaalsContact C-N 3.29Å; E9-L11 PolarHBondContact O-N 3.2Å; L11-A13 PolarHBondContact O-N 2.95Å; L11-L14 PolarHBondContact O-N 3.3Å; L11-F15 HydrophobicContact CD1-CD2 4.47Å; L11-F15 HydrophobicContact CD1-CE1 3.96Å; L11-F15 HydrophobicContact CD1-CE2 3.88Å; L11-F15 HydrophobicContact CD1-CZ 3.6Å; L11-F15 HydrophobicContact CD2-CE2 4.38Å; L11-F15 HydrophobicContact CG-CD2 4.33Å; L11-F15 HydrophobicContact CG-CE2 3.97Å; L11-F15 HydrophobicContact CG-CZ 4.23Å; L11-F15 PolarHBondContact O-N 3.31Å; L11-F15 VanDerWaalsContact O-N 3.11Å; L11-M74 HydrophobicContact CD2-SD 4.47Å; L11-F77 HydrophobicContact CD1-CD1 3.82Å; L11-F77 HydrophobicContact CD1-CE1 3.78Å; L11-F77 HydrophobicContact CD2-CD1 4.06Å; L11-F77 HydrophobicContact CD2-CE1 3.82Å; L11-F77 HydrophobicContact CG-CE1 4.41Å; L11-L78 HydrophobicContact CB-CD1 3.97Å; L11-L78 HydrophobicContact CD1-CD1 4.19Å; L11-A81 HydrophobicContact CD1-CB 3.96Å
12V89.9Confident83.7Confident71 Ų7161.4 Ų61.443%0.4332%0.317SS..Hα-helixtrans-56.1-42.8173.5173.90000110.2H8 L14 F15 D16H8-V12 WeakPolarHBondContact O-CG2 3.15Å; H8-V12 PolarHBondContact O-N 2.79Å; V12-L14 VanDerWaalsContact C-N 3.35Å; V12-L14 PolarHBondContact O-N 3.09Å; V12-F15 PolarHBondContact O-N 3.48Å; V12-D16 PolarHBondContact O-N 3.19Å
13A89.6Confident83Confident0 Ų069.3 Ų69.30%035%0.353CS..Hα-helixtrans-59-44.6174.800000112L5 E9 L11 F15 D16 W20 H34 H35L5-A13 HydrophobicContact CD1-CB 4.27Å; E9-A13 WeakPolarHBondContact O-CB 3.4Å; E9-A13 PolarHBondContact O-N 3.02Å; L11-A13 PolarHBondContact O-N 2.95Å; A13-F15 VanDerWaalsContact C-N 3.3Å; A13-F15 PolarHBondContact O-N 3.36Å; A13-D16 WeakPolarHBondContact O-CB 3.17Å; A13-D16 PolarHBondContact O-N 3.32Å; A13-W20 WeakPolarHBondContact O-CZ2 3.46Å; A13-H34 HydrophobicContact CB-CB 4.02Å; A13-H35 PolarHBondContact O-CE1 2.99Å; A13-H35 VanDerWaalsContact O-CE1 3.3Å
14L90.8Very high81.7Confident0 Ų068.9 Ų68.90%035%0.348CS..Hα-helixtrans-69.1-24.2-178.4-72.3166.2000113.8S10 L11 V12 W20 W38 L49 L78 A81 A82 R85 A112S10-L14 WeakPolarHBondContact O-CD1 3.36Å; S10-L14 VanDerWaalsContact O-CG 3.25Å; S10-L14 WeakPolarHBondContact O-CG 3.43Å; S10-L14 PolarHBondContact O-N 3.03Å; L11-L14 PolarHBondContact O-N 3.3Å; V12-L14 VanDerWaalsContact C-N 3.35Å; V12-L14 PolarHBondContact O-N 3.09Å; L14-W20 HydrophobicContact CD2-CH2 4.08Å; L14-W20 HydrophobicContact CD2-CZ3 4.43Å; L14-W38 HydrophobicContact CD1-CH2 4.24Å; L14-W38 HydrophobicContact CD1-CZ2 4.23Å; L14-W38 HydrophobicContact CD2-CH2 3.95Å; L14-W38 HydrophobicContact CD2-CZ2 4Å; L14-W38 HydrophobicContact CD2-CZ3 4.47Å; L14-W38 HydrophobicContact CG-CH2 4.24Å; L14-W38 HydrophobicContact CG-CZ2 3.96Å; L14-L49 HydrophobicContact CD2-CD2 3.89Å; L14-L78 HydrophobicContact CD1-CD1 3.8Å; L14-L78 HydrophobicContact CD1-CG 4.49Å; L14-A81 HydrophobicContact CB-CB 4.19Å; L14-A81 HydrophobicContact CD1-CB 3.91Å; L14-A82 HydrophobicContact CD1-CB 4.01Å; L14-A82 HydrophobicContact CD2-CB 4.29Å; L14-R85 HydrophobicContact CD2-CB 3.82Å; L14-R85 HydrophobicContact CD2-CG 3.8Å; L14-R85 WeakPolarHBondContact O-CD 3.47Å; L14-R85 PolarHBondContact O-NH1 3.31Å; L14-A112 WeakPolarHBondContact O-CB 3.44Å
15F91.4Very high79.7Confident40 Ų4067.9 Ų67.918%0.17535%0.354CS..Hα-helixtrans-89.4-1.7179.9-69-10.7000115.2L11 V12 A13 F77 A81 A112 V113 A116L11-F15 HydrophobicContact CD1-CD2 4.47Å; L11-F15 HydrophobicContact CD1-CE1 3.96Å; L11-F15 HydrophobicContact CD1-CE2 3.88Å; L11-F15 HydrophobicContact CD1-CZ 3.6Å; L11-F15 HydrophobicContact CD2-CE2 4.38Å; L11-F15 HydrophobicContact CG-CD2 4.33Å; L11-F15 HydrophobicContact CG-CE2 3.97Å; L11-F15 HydrophobicContact CG-CZ 4.23Å; L11-F15 PolarHBondContact O-N 3.31Å; L11-F15 VanDerWaalsContact O-N 3.11Å; V12-F15 PolarHBondContact O-N 3.48Å; A13-F15 VanDerWaalsContact C-N 3.3Å; A13-F15 PolarHBondContact O-N 3.36Å; F15-F77 HydrophobicContact CE2-CE1 4.4Å; F15-F77 AromaticContact CZ-CE1 3.95Å; F15-F77 HydrophobicContact CZ-CE1 3.95Å; F15-F77 HydrophobicContact CZ-CZ 4.24Å; F15-A81 HydrophobicContact CE1-CB 3.93Å; F15-A112 HydrophobicContact CD1-CB 3.97Å; F15-A112 HydrophobicContact CE1-CB 4.33Å; F15-V113 HydrophobicContact CD1-CG2 3.73Å; F15-V113 HydrophobicContact CD2-CG2 4.29Å; F15-V113 HydrophobicContact CE1-CB 4.47Å; F15-V113 HydrophobicContact CE1-CG2 3.82Å; F15-V113 HydrophobicContact CE2-CG2 4.36Å; F15-V113 HydrophobicContact CG-CG2 3.98Å; F15-V113 HydrophobicContact CZ-CG2 4.13Å; F15-A116 HydrophobicContact CE1-CB 4.17Å; F15-A116 HydrophobicContact CZ-CB 4.12Å
16D89.6Confident77.6Confident24 Ų2471 Ų7113%0.12838%0.383CS..  trans-56140.2176.4155.345.7000113.8V12 A13 R18 W20 H35 R85 G109V12-D16 PolarHBondContact O-N 3.19Å; A13-D16 WeakPolarHBondContact O-CB 3.17Å; A13-D16 PolarHBondContact O-N 3.32Å; D16-R18 VanDerWaalsContact OD1-CB 3.32Å; D16-R18 WeakPolarHBondContact OD1-CB 3.41Å; D16-R18 WeakPolarHBondContact OD1-CD 3.35Å; D16-R18 VanDerWaalsContact OD1-CG 3.22Å; D16-R18 WeakPolarHBondContact OD1-CG 3.11Å; D16-R18 PolarHBondContact OD1-N 3.33Å; D16-W20 PolarHBondContact OD2-NE1 3.09Å; D16-H35 WeakPolarHBondContact CB-CE1 3.3Å; D16-H35 VanDerWaalsContact CG-CE1 3.44Å; D16-H35 IonicContact OD2-CE1 2.65Å; D16-H35 PolarHBondContact OD2-CE1 3.35Å; D16-H35 VanDerWaalsContact OD2-CE1 3.3Å; D16-H35 IonicContact OD2-CG 3.32Å; D16-H35 IonicContact OD2-ND1 2.69Å; D16-H35 PolarHBondContact OD2-ND1 2.83Å; D16-H35 IonicContact OD2-NE2 3.08Å; D16-R85 PolarHBondContact O-NH1 2.83Å; D16-G109 WeakPolarHBondContact O-CA 3.38Å; D16-G109 PolarHBondContact O-N 3.48Å
17N87Confident75.7Confident108 Ų10873.3 Ų73.358%0.57839%0.389SS*.SBendtrans-81.5-14.9-176.7-68-38.2000113.9V107N17-V107 HydrophobicContact CB-CG1 3.77Å; N17-V107 VanDerWaalsContact OD1-CG1 3.26Å; N17-V107 WeakPolarHBondContact OD1-CG1 3.39Å
18R84.6Confident73.7Confident129 Ų12977.7 Ų77.749%0.48741%0.409SS..SBendtrans-68.5144.1178.7-60.3160.2176.7-120.9-16.4110.5D16 E27 R85 P108D16-R18 VanDerWaalsContact OD1-CB 3.32Å; D16-R18 WeakPolarHBondContact OD1-CB 3.41Å; D16-R18 WeakPolarHBondContact OD1-CD 3.35Å; D16-R18 VanDerWaalsContact OD1-CG 3.22Å; D16-R18 WeakPolarHBondContact OD1-CG 3.11Å; D16-R18 PolarHBondContact OD1-N 3.33Å; R18-E27 IonicContact CZ-OE2 2.67Å; R18-E27 IonicContact NH1-OE2 2.83Å; R18-E27 PolarHBondContact NH1-OE2 3.06Å; R18-E27 IonicContact NH2-OE1 3.25Å; R18-E27 PolarHBondContact NH2-OE1 3.06Å; R18-E27 IonicContact NH2-OE2 3.47Å; R18-E27 PolarHBondContact NH2-OE2 3.38Å; R18-R85 PolarHBondContact O-NH2 3.11Å; R18-P108 WeakPolarHBondContact O-CG 3.45Å
19T85.1Confident71.5Confident45 Ų4579.3 Ų79.328%0.27642%0.415SS..  trans-82.8119.2171.543.40000109.9C21 A92 P108T19-C21 VanDerWaalsContact C-N 3.28Å; T19-C21 PolarHBondContact O-N 3.33Å; T19-A92 HydrophobicContact CG2-CB 3.79Å; T19-P108 HydrophobicContact CG2-CG 3.98Å
20W82.9Confident69.2Low8 Ų883 Ų833%0.0344%0.437CS..THydrogen-bonded Turntrans-75.1-20.5-175.9-65.3-9.8000113.1A13 L14 D16 H35 W38 V45 L49 R85 E89A13-W20 WeakPolarHBondContact O-CZ2 3.46Å; L14-W20 HydrophobicContact CD2-CH2 4.08Å; L14-W20 HydrophobicContact CD2-CZ3 4.43Å; D16-W20 PolarHBondContact OD2-NE1 3.09Å; W20-H35 AromaticContact CE2-ND1 3.56Å; W20-H35 AromaticContact CZ2-ND1 3.35Å; W20-H35 WeakPolarHBondContact CZ2-ND1 3.29Å; W20-H35 AromaticContact NE1-CG 3.84Å; W20-H35 AromaticContact NE1-ND1 3.31Å; W20-H35 PolarHBondContact NE1-ND1 3.21Å; W20-W38 HydrophobicContact CE3-CB 4.39Å; W20-W38 HydrophobicContact CH2-CB 4.1Å; W20-W38 AromaticContact CH2-CD1 3.75Å; W20-W38 AromaticContact CH2-CD2 3.84Å; W20-W38 HydrophobicContact CH2-CD2 3.84Å; W20-W38 AromaticContact CH2-CG 3.63Å; W20-W38 HydrophobicContact CH2-CG 3.63Å; W20-W38 AromaticContact CH2-NE1 3.99Å; W20-W38 HydrophobicContact CZ2-CG 4.42Å; W20-W38 HydrophobicContact CZ3-CB 3.91Å; W20-W38 AromaticContact CZ3-CD2 3.95Å; W20-W38 HydrophobicContact CZ3-CD2 3.95Å; W20-W38 HydrophobicContact CZ3-CE3 4.23Å; W20-W38 AromaticContact CZ3-CG 3.82Å; W20-W38 HydrophobicContact CZ3-CG 3.82Å; W20-V45 HydrophobicContact CB-CG1 4Å; W20-V45 HydrophobicContact CB-CG2 4.47Å; W20-V45 HydrophobicContact CD2-CG1 4.39Å; W20-V45 HydrophobicContact CE3-CG1 3.57Å; W20-V45 HydrophobicContact CZ3-CG1 4.39Å; W20-L49 HydrophobicContact CE3-CD1 4.42Å; W20-L49 HydrophobicContact CZ3-CD1 4.34Å; W20-L49 HydrophobicContact CZ3-CD2 4.21Å; W20-L49 HydrophobicContact CZ3-CG 4.43Å; W20-R85 VanDerWaalsContact CD1-NH2 3.34Å; W20-R85 HydrophobicContact CE3-CG 4.42Å; W20-R85 HydrophobicContact CH2-CG 4.48Å; W20-R85 HydrophobicContact CZ3-CG 4.07Å; W20-R85 VanDerWaalsContact NE1-NH2 3.2Å; W20-E89 WeakPolarHBondContact CB-OE1 3.38Å; W20-E89 PolarHBondContact N-OE1 2.92Å; W20-E89 PolarHBondContact N-OE2 3.28Å
21C73.4Confident67Low41 Ų4192.9 Ų92.928%0.27748%0.475SS..THydrogen-bonded Turntrans-87.8-16.1-177.2-59.90000115.5T19 F46 E89 T93T19-C21 VanDerWaalsContact C-N 3.28Å; T19-C21 PolarHBondContact O-N 3.33Å; C21-F46 HydrophobicContact CB-CZ 4.42Å; C21-F46 WeakPolarHBondContact SG-CZ 3.37Å; C21-E89 PolarHBondContact N-OE2 2.98Å; C21-E89 VanDerWaalsContact N-OE2 3.13Å; C21-E89 PolarHBondContact SG-OE2 2.95Å; C21-T93 HydrophobicContact CB-CG2 3.67Å
22R68.4Low65.1Low142 Ų14298.8 Ų98.854%0.53651%0.506SS..  trans-80.9128.8171.6-100.6-176.2164.4133.4-1.9109.6P96 D97R22-P96 VanDerWaalsContact CZ-O 3.23Å; R22-P96 PolarHBondContact NH1-O 3.1Å; R22-P96 PolarHBondContact NH2-O 3.49Å; R22-D97 IonicContact NH2-OD1 3.17Å
23Q50.4Low63.5Low170 Ų17097.4 Ų97.479%0.79450%0.499SS*.  trans-124.1101.9-174.1-174.781.71500108.8
24G42Very low62.4Low61 Ų61100 Ų10063%0.62951%0.511SS*.  trans173.1121.7175.300000118A26G24-A26 VanDerWaalsContact C-N 3.35Å; G24-A26 PolarHBondContact O-N 3.48Å
25V37.4Very low61.1Low166 Ų166101.5 Ų101.5100%1.00652%0.518SS*.SBendtrans71.2-23142.6-169.20000119.8
26A38.1Very low59.8Low89 Ų89106.7 Ų106.774%0.73654%0.542SS*.SBendtrans-120.3131.6177.800000113.7G24G24-A26 VanDerWaalsContact C-N 3.35Å; G24-A26 PolarHBondContact O-N 3.48Å
27E48.3Very low59.1Low127 Ų127107 Ų10759%0.59355%0.548SS*.  trans88.674.5-179.8-60.2-174.3-164.500117.1R18R18-E27 IonicContact CZ-OE2 2.67Å; R18-E27 IonicContact NH1-OE2 2.83Å; R18-E27 PolarHBondContact NH1-OE2 3.06Å; R18-E27 IonicContact NH2-OE1 3.25Å; R18-E27 PolarHBondContact NH2-OE1 3.06Å; R18-E27 IonicContact NH2-OE2 3.47Å; R18-E27 PolarHBondContact NH2-OE2 3.38Å
28E41.5Very low58.7Low198 Ų198102 Ų10293%0.92552%0.522SS*.SBendtrans-92.326.9155.9-163.7157-150.800111.1
29F43.2Very low58.4Low170 Ų170100 Ų10075%0.74652%0.516SS*.  trans-132.5155.8-179.7-89.8-97.2000110.8
30D39.8Very low58.1Low134 Ų134102 Ų10272%0.71752%0.522SS*.  trans71.1117.1168.2-65-25.5000121.7
31Y42.7Very low57.7Low209 Ų209108 Ų10882%0.8256%0.562SS**SBendtrans57.5149.6146-103.1-98.9000121.2S33Y31-S33 VanDerWaalsContact C-N 3.29Å; Y31-S33 PolarHBondContact O-N 3.31Å; Y31-S33 PolarHBondContact O-OG 3.43Å
32I51Low57.8Low143 Ų143114.1 Ų114.173%0.73359%0.587SS**  trans-57.381.2-170.7-52.4174.5000111.8H34I32-H34 PolarHBondContact O-N 2.9Å
33S57Low58.5Low41 Ų41109.9 Ų109.929%0.28758%0.576SS.*  trans-82.7101.7-173.8-850000111Y31 H35 H36Y31-S33 VanDerWaalsContact C-N 3.29Å; Y31-S33 PolarHBondContact O-N 3.31Å; Y31-S33 PolarHBondContact O-OG 3.43Å; S33-H35 PolarHBondContact O-N 2.69Å; S33-H36 PolarHBondContact O-N 2.73Å
34H65.4Low60.2Low55 Ų55107.2 Ų107.226%0.25557%0.568SS.*G310 helixtrans-52.7-20.5177.6-59.3-74.9000113.5L5 E9 A13 I32 H36 A37L5-H34 HydrophobicContact CD1-CB 4.27Å; L5-H34 HydrophobicContact CD2-CB 3.91Å; E9-H34 IonicContact OE1-CE1 3.69Å; E9-H34 PolarHBondContact OE1-CE1 2.95Å; E9-H34 IonicContact OE1-ND1 2.8Å; A13-H34 HydrophobicContact CB-CB 4.02Å; I32-H34 PolarHBondContact O-N 2.9Å; H34-H36 PolarHBondContact O-N 2.88Å; H34-A37 WeakPolarHBondContact O-CB 3.26Å; H34-A37 PolarHBondContact O-N 3.32Å; H34-A37 VanDerWaalsContact O-N 3.1Å
35H64.3Low62.3Low32 Ų32105.1 Ų105.115%0.14854%0.542CS..G310 helixtrans-52.7-31.1169.6-47.6-60.9000114.2A13 D16 W20 S33 A37 W38 K39A13-H35 PolarHBondContact O-CE1 2.99Å; A13-H35 VanDerWaalsContact O-CE1 3.3Å; D16-H35 WeakPolarHBondContact CB-CE1 3.3Å; D16-H35 VanDerWaalsContact CG-CE1 3.44Å; D16-H35 IonicContact OD2-CE1 2.65Å; D16-H35 PolarHBondContact OD2-CE1 3.35Å; D16-H35 VanDerWaalsContact OD2-CE1 3.3Å; D16-H35 IonicContact OD2-CG 3.32Å; D16-H35 IonicContact OD2-ND1 2.69Å; D16-H35 PolarHBondContact OD2-ND1 2.83Å; D16-H35 IonicContact OD2-NE2 3.08Å; W20-H35 AromaticContact CE2-ND1 3.56Å; W20-H35 AromaticContact CZ2-ND1 3.35Å; W20-H35 WeakPolarHBondContact CZ2-ND1 3.29Å; W20-H35 AromaticContact NE1-CG 3.84Å; W20-H35 AromaticContact NE1-ND1 3.31Å; W20-H35 PolarHBondContact NE1-ND1 3.21Å; S33-H35 PolarHBondContact O-N 2.69Å; H35-A37 PolarHBondContact O-N 3.25Å; H35-W38 WeakPolarHBondContact O-CB 3.4Å; H35-W38 PolarHBondContact O-N 2.92Å; H35-K39 PolarHBondContact O-N 3.2Å
36H63.9Low64.9Low149 Ų14999.5 Ų99.569%0.6951%0.505SS*.G310 helixtrans-61.2-28.9176-88.2-98.5000112.9S33 H34 W38 K39S33-H36 PolarHBondContact O-N 2.73Å; H34-H36 PolarHBondContact O-N 2.88Å; H36-W38 PolarHBondContact O-N 3.12Å; H36-K39 PolarHBondContact O-N 2.98Å
37A73.8Confident67.3Low31 Ų3199.7 Ų99.726%0.25649%0.492SS..G310 helixtrans-70.3-15.1176.200000113.6A2 L5 H34 H35A2-A37 WeakPolarHBondContact CA-O 3.22Å; A2-A37 HydrophobicContact CB-CB 3.8Å; A2-A37 WeakPolarHBondContact CB-O 3.38Å; L5-A37 HydrophobicContact CD1-CB 4.11Å; L5-A37 HydrophobicContact CD2-CB 4.19Å; L5-A37 HydrophobicContact CG-CB 3.98Å; H34-A37 WeakPolarHBondContact O-CB 3.26Å; H34-A37 PolarHBondContact O-N 3.32Å; H34-A37 VanDerWaalsContact O-N 3.1Å; H35-A37 PolarHBondContact O-N 3.25Å
38W79.2Confident69.3Low3 Ų394.1 Ų94.11%0.01147%0.467CS..THydrogen-bonded Turntrans-94.8-27.5179-65.291.4000113.3A2 L14 W20 H35 H36 T48 L49 F52A2-W38 HydrophobicContact CB-CD2 3.78Å; A2-W38 HydrophobicContact CB-CE3 4.25Å; A2-W38 HydrophobicContact CB-CG 4.11Å; A2-W38 HydrophobicContact CB-CZ2 4.11Å; L14-W38 HydrophobicContact CD1-CH2 4.24Å; L14-W38 HydrophobicContact CD1-CZ2 4.23Å; L14-W38 HydrophobicContact CD2-CH2 3.95Å; L14-W38 HydrophobicContact CD2-CZ2 4Å; L14-W38 HydrophobicContact CD2-CZ3 4.47Å; L14-W38 HydrophobicContact CG-CH2 4.24Å; L14-W38 HydrophobicContact CG-CZ2 3.96Å; W20-W38 HydrophobicContact CE3-CB 4.39Å; W20-W38 HydrophobicContact CH2-CB 4.1Å; W20-W38 AromaticContact CH2-CD1 3.75Å; W20-W38 AromaticContact CH2-CD2 3.84Å; W20-W38 HydrophobicContact CH2-CD2 3.84Å; W20-W38 AromaticContact CH2-CG 3.63Å; W20-W38 HydrophobicContact CH2-CG 3.63Å; W20-W38 AromaticContact CH2-NE1 3.99Å; W20-W38 HydrophobicContact CZ2-CG 4.42Å; W20-W38 HydrophobicContact CZ3-CB 3.91Å; W20-W38 AromaticContact CZ3-CD2 3.95Å; W20-W38 HydrophobicContact CZ3-CD2 3.95Å; W20-W38 HydrophobicContact CZ3-CE3 4.23Å; W20-W38 AromaticContact CZ3-CG 3.82Å; W20-W38 HydrophobicContact CZ3-CG 3.82Å; H35-W38 WeakPolarHBondContact O-CB 3.4Å; H35-W38 PolarHBondContact O-N 2.92Å; H36-W38 PolarHBondContact O-N 3.12Å; W38-T48 PolarHBondContact O-OG1 2.71Å; W38-L49 HydrophobicContact CE3-CD2 4.05Å; W38-L49 HydrophobicContact CE3-CG 4.49Å; W38-L49 HydrophobicContact CH2-CD2 4.47Å; W38-L49 HydrophobicContact CZ3-CD2 3.75Å; W38-F52 HydrophobicContact CH2-CB 4.37Å; W38-F52 AromaticContact CH2-CD1 3.75Å; W38-F52 HydrophobicContact CH2-CD1 3.75Å; W38-F52 AromaticContact CH2-CD2 3.49Å; W38-F52 HydrophobicContact CH2-CD2 3.49Å; W38-F52 VanDerWaalsContact CH2-CD2 3.49Å; W38-F52 AromaticContact CH2-CE1 3.74Å; W38-F52 HydrophobicContact CH2-CE1 3.74Å; W38-F52 AromaticContact CH2-CE2 3.46Å; W38-F52 HydrophobicContact CH2-CE2 3.46Å; W38-F52 VanDerWaalsContact CH2-CE2 3.46Å; W38-F52 AromaticContact CH2-CG 3.62Å; W38-F52 HydrophobicContact CH2-CG 3.62Å; W38-F52 AromaticContact CH2-CZ 3.59Å; W38-F52 HydrophobicContact CH2-CZ 3.59Å; W38-F52 HydrophobicContact CZ2-CD2 4.44Å; W38-F52 HydrophobicContact CZ2-CE2 4.1Å; W38-F52 HydrophobicContact CZ2-CZ 4.23Å; W38-F52 HydrophobicContact CZ3-CB 3.87Å; W38-F52 HydrophobicContact CZ3-CD1 4.04Å; W38-F52 AromaticContact CZ3-CD2 3.74Å; W38-F52 HydrophobicContact CZ3-CD2 3.74Å; W38-F52 HydrophobicContact CZ3-CE1 4.49Å; W38-F52 HydrophobicContact CZ3-CE2 4.2Å; W38-F52 AromaticContact CZ3-CG 3.64Å; W38-F52 HydrophobicContact CZ3-CG 3.64Å
39K78.8Confident71.7Confident86 Ų8684.7 Ų84.737%0.37442%0.423SS..  trans-82.3126.3174.2-64.3-169.6175.3-1690109.9H35 H36 V45H35-K39 PolarHBondContact O-N 3.2Å; H36-K39 PolarHBondContact O-N 2.98Å; K39-V45 HydrophobicContact CG-CG2 4.17Å
40H78.6Confident74Confident88 Ų8880.7 Ų80.741%0.40741%0.409SS..BIsolated β-bridgetrans-119.4131.5175.5-176.9-99.9000109.7Q42 V43 T48H40-Q42 PolarHBondContact ND1-N 3.33Å; H40-Q42 PolarHBondContact O-N 3.03Å; H40-V43 HydrophobicContact CB-CB 4.18Å; H40-V43 PolarHBondContact O-N 3.23Å; H40-T48 HydrophobicContact CB-CG2 4.22Å
41P74.4Confident76.5Confident133 Ų13378.1 Ų78.186%0.86439%0.394SS*.THydrogen-bonded Turntrans-57.8-17.5-170.3-28.335.7000116.5
42Q75.8Confident78.9Confident170 Ų17068.5 Ų68.579%0.79436%0.357SS*.THydrogen-bonded Turntrans-118.70.8-177.6-61.4175.2-32.500113.9H40H40-Q42 PolarHBondContact ND1-N 3.33Å; H40-Q42 PolarHBondContact O-N 3.03Å
43V83.1Confident80.9Confident53 Ų5363 Ų6332%0.32133%0.328SS..BIsolated β-bridgetrans-141.7123.9-169.6178.90000111.5H40 I47 T48H40-V43 HydrophobicContact CB-CB 4.18Å; H40-V43 PolarHBondContact O-N 3.23Å; V43-I47 HydrophobicContact CG1-CB 3.64Å; V43-I47 HydrophobicContact CG1-CD1 4.28Å; V43-I47 HydrophobicContact CG1-CG2 3.66Å; V43-T48 HydrophobicContact CB-CG2 4.38Å; V43-T48 HydrophobicContact CG1-CG2 3.91Å
44N86.9Confident82.7Confident114 Ų11465.4 Ų65.461%0.6134%0.341SS*.  trans-57.1143.9178.4-69.3-0.8000112.4F46 I47 T48N44-F46 PolarHBondContact O-N 3.35Å; N44-I47 HydrophobicContact CB-CD1 4.35Å; N44-I47 WeakPolarHBondContact O-CB 3.44Å; N44-I47 PolarHBondContact O-N 2.88Å; N44-T48 PolarHBondContact O-N 3.46Å
45V86.3Confident84Confident16 Ų1666.3 Ų66.310%0.09735%0.346CS..Hα-helixtrans-55.3-35.7-178.6178.10000112.8W20 K39 I47 T48 L49W20-V45 HydrophobicContact CB-CG1 4Å; W20-V45 HydrophobicContact CB-CG2 4.47Å; W20-V45 HydrophobicContact CD2-CG1 4.39Å; W20-V45 HydrophobicContact CE3-CG1 3.57Å; W20-V45 HydrophobicContact CZ3-CG1 4.39Å; K39-V45 HydrophobicContact CG-CG2 4.17Å; V45-I47 VanDerWaalsContact C-N 3.3Å; V45-I47 PolarHBondContact O-N 3.23Å; V45-T48 PolarHBondContact O-N 3.01Å; V45-T48 PolarHBondContact O-OG1 3.35Å; V45-L49 HydrophobicContact CG1-CD1 4.09Å; V45-L49 WeakPolarHBondContact O-CB 3.38Å; V45-L49 PolarHBondContact O-N 3.19Å
46F90.1Very high85.3Confident49 Ų4968 Ų6822%0.21535%0.353CS..Hα-helixtrans-54.9-42.9172-62.7-66000113.3C21 N44 I50 L86 E89 I90 T93C21-F46 HydrophobicContact CB-CZ 4.42Å; C21-F46 WeakPolarHBondContact SG-CZ 3.37Å; N44-F46 PolarHBondContact O-N 3.35Å; F46-I50 WeakPolarHBondContact O-CB 3.35Å; F46-I50 WeakPolarHBondContact O-CD1 3.44Å; F46-I50 VanDerWaalsContact O-CG1 3.23Å; F46-I50 WeakPolarHBondContact O-CG1 3.47Å; F46-I50 PolarHBondContact O-N 3.12Å; F46-L86 HydrophobicContact CB-CD1 4.48Å; F46-L86 HydrophobicContact CD1-CD1 3.93Å; F46-E89 HydrophobicContact CE1-CB 3.73Å; F46-E89 HydrophobicContact CZ-CB 4.31Å; F46-I90 HydrophobicContact CD1-CG1 4.01Å; F46-I90 HydrophobicContact CE1-CB 4.45Å; F46-I90 HydrophobicContact CE1-CG1 3.66Å; F46-T93 HydrophobicContact CE2-CG2 4.2Å; F46-T93 HydrophobicContact CZ-CG2 3.74Å
47I90.1Very high86.7Confident92 Ų9267.6 Ų67.647%0.47235%0.35SS..Hα-helixtrans-74-37-178.4-57.7170.7000109.9V43 N44 V45 L51V43-I47 HydrophobicContact CG1-CB 3.64Å; V43-I47 HydrophobicContact CG1-CD1 4.28Å; V43-I47 HydrophobicContact CG1-CG2 3.66Å; N44-I47 HydrophobicContact CB-CD1 4.35Å; N44-I47 WeakPolarHBondContact O-CB 3.44Å; N44-I47 PolarHBondContact O-N 2.88Å; V45-I47 VanDerWaalsContact C-N 3.3Å; V45-I47 PolarHBondContact O-N 3.23Å; I47-L51 WeakPolarHBondContact O-CB 3.25Å; I47-L51 PolarHBondContact O-N 3.37Å
48T89.6Confident87.6Confident11 Ų1175 Ų757%0.06737%0.371CS..Hα-helixtrans-67.9-35.517667.90000112W38 H40 V43 N44 V45 F52W38-T48 PolarHBondContact O-OG1 2.71Å; H40-T48 HydrophobicContact CB-CG2 4.22Å; V43-T48 HydrophobicContact CB-CG2 4.38Å; V43-T48 HydrophobicContact CG1-CG2 3.91Å; N44-T48 PolarHBondContact O-N 3.46Å; V45-T48 PolarHBondContact O-N 3.01Å; V45-T48 PolarHBondContact O-OG1 3.35Å; T48-F52 VanDerWaalsContact O-CB 3.28Å; T48-F52 WeakPolarHBondContact O-CB 3.41Å; T48-F52 PolarHBondContact O-N 3.2Å
49L91Very high88.3Confident0 Ų080.1 Ų80.10%040%0.397CS..Hα-helixtrans-67.1-51.9171.7-81.4167.1000112.9L14 W20 W38 V45 L51 F52 I53 A82 R85 L86L14-L49 HydrophobicContact CD2-CD2 3.89Å; W20-L49 HydrophobicContact CE3-CD1 4.42Å; W20-L49 HydrophobicContact CZ3-CD1 4.34Å; W20-L49 HydrophobicContact CZ3-CD2 4.21Å; W20-L49 HydrophobicContact CZ3-CG 4.43Å; W38-L49 HydrophobicContact CE3-CD2 4.05Å; W38-L49 HydrophobicContact CE3-CG 4.49Å; W38-L49 HydrophobicContact CH2-CD2 4.47Å; W38-L49 HydrophobicContact CZ3-CD2 3.75Å; V45-L49 HydrophobicContact CG1-CD1 4.09Å; V45-L49 WeakPolarHBondContact O-CB 3.38Å; V45-L49 PolarHBondContact O-N 3.19Å; L49-L51 VanDerWaalsContact C-N 3.31Å; L49-L51 PolarHBondContact O-N 3.33Å; L49-F52 WeakPolarHBondContact O-CB 3.35Å; L49-F52 PolarHBondContact O-N 3.2Å; L49-F52 VanDerWaalsContact O-N 3.16Å; L49-I53 WeakPolarHBondContact O-CG1 3.28Å; L49-I53 PolarHBondContact O-N 3.25Å; L49-A82 HydrophobicContact CD2-CB 4.47Å; L49-R85 HydrophobicContact CD1-CG 3.92Å; L49-R85 HydrophobicContact CD2-CB 4.26Å; L49-R85 HydrophobicContact CD2-CG 4.02Å; L49-L86 HydrophobicContact CB-CD1 4.18Å; L49-L86 HydrophobicContact CD1-CD1 4.48Å
50I93.5Very high88.9Confident86 Ų8676.8 Ų76.844%0.44138%0.384SS..Hα-helixtrans-57.3-46178.7-70.9163.7000110.7F46 F52 I53 V54 L86F46-I50 WeakPolarHBondContact O-CB 3.35Å; F46-I50 WeakPolarHBondContact O-CD1 3.44Å; F46-I50 VanDerWaalsContact O-CG1 3.23Å; F46-I50 WeakPolarHBondContact O-CG1 3.47Å; F46-I50 PolarHBondContact O-N 3.12Å; I50-F52 PolarHBondContact O-N 3.43Å; I50-I53 PolarHBondContact O-N 2.92Å; I50-V54 WeakPolarHBondContact O-CG2 3.1Å; I50-V54 PolarHBondContact O-N 3.08Å; I50-V54 VanDerWaalsContact O-N 3.07Å; I50-L86 HydrophobicContact CD1-CD1 4.34Å; I50-L86 HydrophobicContact CD1-CD2 4.39Å; I50-L86 HydrophobicContact CG1-CD1 3.98Å; I50-L86 HydrophobicContact CG1-CD2 3.58Å; I50-L86 HydrophobicContact CG1-CG 4.46Å
51L91.9Very high89.5Confident79 Ų7975.2 Ų75.241%0.41439%0.386SS..Hα-helixtrans-68.3-35179.8-167.9150.1000111.8M1 I47 L49 M55M1-L51 HydrophobicContact CE-CD2 3.87Å; M1-L51 HydrophobicContact CG-CD2 3.34Å; M1-L51 HydrophobicContact SD-CD2 3.43Å; M1-L51 WeakPolarHBondContact SD-CD2 3.33Å; I47-L51 WeakPolarHBondContact O-CB 3.25Å; I47-L51 PolarHBondContact O-N 3.37Å; L49-L51 VanDerWaalsContact C-N 3.31Å; L49-L51 PolarHBondContact O-N 3.33Å; L51-M55 HydrophobicContact CD2-CG 3.96Å; L51-M55 HydrophobicContact CG-CG 4.44Å; L51-M55 VanDerWaalsContact O-CB 3.32Å; L51-M55 WeakPolarHBondContact O-CB 2.98Å; L51-M55 WeakPolarHBondContact O-CG 3.23Å; L51-M55 PolarHBondContact O-N 2.95Å
52F91.9Very high90.4Very high8 Ų872.2 Ų72.24%0.03537%0.365CS..Hα-helixtrans-61.5-47.4170.8176.7-86000111.8W38 T48 L49 I50 M55 K56 L78 A82W38-F52 HydrophobicContact CH2-CB 4.37Å; W38-F52 AromaticContact CH2-CD1 3.75Å; W38-F52 HydrophobicContact CH2-CD1 3.75Å; W38-F52 AromaticContact CH2-CD2 3.49Å; W38-F52 HydrophobicContact CH2-CD2 3.49Å; W38-F52 VanDerWaalsContact CH2-CD2 3.49Å; W38-F52 AromaticContact CH2-CE1 3.74Å; W38-F52 HydrophobicContact CH2-CE1 3.74Å; W38-F52 AromaticContact CH2-CE2 3.46Å; W38-F52 HydrophobicContact CH2-CE2 3.46Å; W38-F52 VanDerWaalsContact CH2-CE2 3.46Å; W38-F52 AromaticContact CH2-CG 3.62Å; W38-F52 HydrophobicContact CH2-CG 3.62Å; W38-F52 AromaticContact CH2-CZ 3.59Å; W38-F52 HydrophobicContact CH2-CZ 3.59Å; W38-F52 HydrophobicContact CZ2-CD2 4.44Å; W38-F52 HydrophobicContact CZ2-CE2 4.1Å; W38-F52 HydrophobicContact CZ2-CZ 4.23Å; W38-F52 HydrophobicContact CZ3-CB 3.87Å; W38-F52 HydrophobicContact CZ3-CD1 4.04Å; W38-F52 AromaticContact CZ3-CD2 3.74Å; W38-F52 HydrophobicContact CZ3-CD2 3.74Å; W38-F52 HydrophobicContact CZ3-CE1 4.49Å; W38-F52 HydrophobicContact CZ3-CE2 4.2Å; W38-F52 AromaticContact CZ3-CG 3.64Å; W38-F52 HydrophobicContact CZ3-CG 3.64Å; T48-F52 VanDerWaalsContact O-CB 3.28Å; T48-F52 WeakPolarHBondContact O-CB 3.41Å; T48-F52 PolarHBondContact O-N 3.2Å; L49-F52 WeakPolarHBondContact O-CB 3.35Å; L49-F52 PolarHBondContact O-N 3.2Å; L49-F52 VanDerWaalsContact O-N 3.16Å; I50-F52 PolarHBondContact O-N 3.43Å; F52-M55 PolarHBondContact O-N 3.18Å; F52-K56 HydrophobicContact CD1-CG 3.96Å; F52-K56 HydrophobicContact CD2-CG 4.11Å; F52-K56 HydrophobicContact CE1-CG 3.75Å; F52-K56 HydrophobicContact CE2-CD 4.28Å; F52-K56 HydrophobicContact CE2-CG 3.93Å; F52-K56 HydrophobicContact CG-CG 4.15Å; F52-K56 HydrophobicContact CZ-CD 4.19Å; F52-K56 HydrophobicContact CZ-CG 3.74Å; F52-K56 VanDerWaalsContact O-CB 3.24Å; F52-K56 WeakPolarHBondContact O-CB 3.03Å; F52-K56 VanDerWaalsContact O-CG 3.28Å; F52-K56 WeakPolarHBondContact O-CG 3.3Å; F52-K56 PolarHBondContact O-N 3.23Å; F52-L78 HydrophobicContact CE1-CG 4.37Å; F52-L78 HydrophobicContact CZ-CD2 3.99Å; F52-L78 HydrophobicContact CZ-CG 4.13Å; F52-A82 HydrophobicContact CD1-CB 3.74Å; F52-A82 HydrophobicContact CE1-CB 3.78Å
53I94Very high91.1Very high27 Ų2766.3 Ų66.314%0.13835%0.345CS..Hα-helixtrans-57.3-52.6179.3-68.8161.5000110.5L49 I50 M55 K56 F57 I79 A82 F83 L86L49-I53 WeakPolarHBondContact O-CG1 3.28Å; L49-I53 PolarHBondContact O-N 3.25Å; I50-I53 PolarHBondContact O-N 2.92Å; I53-M55 PolarHBondContact O-N 2.97Å; I53-K56 PolarHBondContact O-N 2.87Å; I53-F57 VanDerWaalsContact O-CB 3.26Å; I53-F57 WeakPolarHBondContact O-CB 3.36Å; I53-F57 PolarHBondContact O-N 3.45Å; I53-I79 HydrophobicContact CG2-CG2 4.32Å; I53-A82 HydrophobicContact CD1-CB 4.29Å; I53-A82 HydrophobicContact CG1-CB 3.68Å; I53-F83 HydrophobicContact CD1-CB 4.3Å; I53-L86 HydrophobicContact CD1-CB 4.37Å; I53-L86 HydrophobicContact CD1-CD2 3.91Å
54V94.7Very high91.5Very high91 Ų9166.3 Ų66.355%0.55235%0.346SS*.Hα-helixtrans-62-46.7-178.41740000111.6I50 F57 W58I50-V54 WeakPolarHBondContact O-CG2 3.1Å; I50-V54 PolarHBondContact O-N 3.08Å; I50-V54 VanDerWaalsContact O-N 3.07Å; V54-F57 PolarHBondContact O-N 2.79Å; V54-W58 PolarHBondContact O-N 2.7Å
55M92.2Very high91.6Very high74 Ų7466.4 Ų66.437%0.36535%0.35SS..Hα-helixtrans-68.1-42.1-178.9-67.5-65.1-73.700112.1M1 L51 F52 I53 M59M1-M55 HydrophobicContact SD-CB 4.4Å; M1-M55 HydrophobicContact SD-CG 4.14Å; L51-M55 HydrophobicContact CD2-CG 3.96Å; L51-M55 HydrophobicContact CG-CG 4.44Å; L51-M55 VanDerWaalsContact O-CB 3.32Å; L51-M55 WeakPolarHBondContact O-CB 2.98Å; L51-M55 WeakPolarHBondContact O-CG 3.23Å; L51-M55 PolarHBondContact O-N 2.95Å; F52-M55 PolarHBondContact O-N 3.18Å; I53-M55 PolarHBondContact O-N 2.97Å; M55-M59 HydrophobicContact CE-CE 4.02Å; M55-M59 VanDerWaalsContact O-CB 3.29Å; M55-M59 WeakPolarHBondContact O-CB 3.29Å; M55-M59 VanDerWaalsContact O-CG 3.23Å; M55-M59 WeakPolarHBondContact O-CG 3.46Å; M55-M59 PolarHBondContact O-N 3.17Å
56K91.8Very high91.8Very high69 Ų6970.9 Ų70.930%0.337%0.372SS..Hα-helixtrans-66.5-38.3176.3-73.4-71.8-170.5175.50112.1F52 I53 M59 S60 I79F52-K56 HydrophobicContact CD1-CG 3.96Å; F52-K56 HydrophobicContact CD2-CG 4.11Å; F52-K56 HydrophobicContact CE1-CG 3.75Å; F52-K56 HydrophobicContact CE2-CD 4.28Å; F52-K56 HydrophobicContact CE2-CG 3.93Å; F52-K56 HydrophobicContact CG-CG 4.15Å; F52-K56 HydrophobicContact CZ-CD 4.19Å; F52-K56 HydrophobicContact CZ-CG 3.74Å; F52-K56 VanDerWaalsContact O-CB 3.24Å; F52-K56 WeakPolarHBondContact O-CB 3.03Å; F52-K56 VanDerWaalsContact O-CG 3.28Å; F52-K56 WeakPolarHBondContact O-CG 3.3Å; F52-K56 PolarHBondContact O-N 3.23Å; I53-K56 PolarHBondContact O-N 2.87Å; K56-M59 PolarHBondContact O-N 3.36Å; K56-S60 WeakPolarHBondContact O-CB 3.4Å; K56-S60 PolarHBondContact O-N 3.06Å; K56-I79 HydrophobicContact CB-CD1 4.36Å; K56-I79 HydrophobicContact CB-CG1 3.91Å
57F93.5Very high91.9Very high140 Ų14075 Ų7561%0.61440%0.403SS*.Hα-helixtrans-59.8-51.8176.3-179.6-97.9000111.7I53 V54 S60 A61 I79I53-F57 VanDerWaalsContact O-CB 3.26Å; I53-F57 WeakPolarHBondContact O-CB 3.36Å; I53-F57 PolarHBondContact O-N 3.45Å; V54-F57 PolarHBondContact O-N 2.79Å; F57-S60 PolarHBondContact O-N 2.95Å; F57-A61 PolarHBondContact O-N 2.9Å; F57-A61 VanDerWaalsContact O-N 3.1Å; F57-I79 HydrophobicContact CB-CD1 4.3Å
58W93.4Very high91.9Very high186 Ų18674.6 Ų74.671%0.70541%0.405SS*.Hα-helixtrans-62.5-47.9176.5178.6-92000112.4V54 S60 A61 V62V54-W58 PolarHBondContact O-N 2.7Å; W58-S60 VanDerWaalsContact C-N 3.31Å; W58-S60 PolarHBondContact O-N 3.15Å; W58-A61 PolarHBondContact O-N 2.89Å; W58-V62 PolarHBondContact O-N 3.04Å; W58-V62 VanDerWaalsContact O-N 3.11Å
59M92.3Very high92Very high111 Ų11180.4 Ų80.455%0.54744%0.443SS..Hα-helixtrans-63.1-36.3179.5-73.5176.8168.700112.6M55 K56 V62 A63M55-M59 HydrophobicContact CE-CE 4.02Å; M55-M59 VanDerWaalsContact O-CB 3.29Å; M55-M59 WeakPolarHBondContact O-CB 3.29Å; M55-M59 VanDerWaalsContact O-CG 3.23Å; M55-M59 WeakPolarHBondContact O-CG 3.46Å; M55-M59 PolarHBondContact O-N 3.17Å; K56-M59 PolarHBondContact O-N 3.36Å; M59-V62 PolarHBondContact O-N 2.8Å; M59-A63 WeakPolarHBondContact O-CB 3.4Å; M59-A63 PolarHBondContact O-N 3.15Å
60S91.9Very high91.8Very high16 Ų1684.1 Ų84.111%0.11247%0.468CS..Hα-helixtrans-64.7-44.9175-173.40000111.5K56 F57 W58 V62 A63 T64 P75K56-S60 WeakPolarHBondContact O-CB 3.4Å; K56-S60 PolarHBondContact O-N 3.06Å; F57-S60 PolarHBondContact O-N 2.95Å; W58-S60 VanDerWaalsContact C-N 3.31Å; W58-S60 PolarHBondContact O-N 3.15Å; S60-V62 VanDerWaalsContact C-N 3.31Å; S60-V62 PolarHBondContact O-N 3.32Å; S60-A63 PolarHBondContact O-N 3.31Å; S60-T64 PolarHBondContact O-N 2.95Å; S60-T64 PolarHBondContact O-OG1 3.44Å; S60-T64 VanDerWaalsContact O-OG1 3.07Å; S60-P75 WeakPolarHBondContact OG-CB 3.32Å
61A91.1Very high91.7Very high54 Ų5482.8 Ų82.845%0.44648%0.476SS..Hα-helixtrans-59.2-43.6177.500000111.5F57 W58 T65F57-A61 PolarHBondContact O-N 2.9Å; F57-A61 VanDerWaalsContact O-N 3.1Å; W58-A61 PolarHBondContact O-N 2.89Å; A61-T65 WeakPolarHBondContact O-CG2 3.4Å; A61-T65 PolarHBondContact O-N 2.94Å
62V92.7Very high91.6Very high70 Ų7079.6 Ų79.642%0.42446%0.461SS..Hα-helixtrans-62.7-49.2174176.60000111.1W58 M59 S60 T64 T65W58-V62 PolarHBondContact O-N 3.04Å; W58-V62 VanDerWaalsContact O-N 3.11Å; M59-V62 PolarHBondContact O-N 2.8Å; S60-V62 VanDerWaalsContact C-N 3.31Å; S60-V62 PolarHBondContact O-N 3.32Å; V62-T64 VanDerWaalsContact C-N 3.35Å; V62-T64 PolarHBondContact O-N 3.41Å; V62-T65 PolarHBondContact O-N 3.36Å; V62-T65 PolarHBondContact O-OG1 3.17Å
63A91.6Very high91.7Very high46 Ų4681.8 Ų81.838%0.3847%0.471SS..Hα-helixtrans-58.5-42.4-178.700000112.9M59 S60 T65 M66M59-A63 WeakPolarHBondContact O-CB 3.4Å; M59-A63 PolarHBondContact O-N 3.15Å; S60-A63 PolarHBondContact O-N 3.31Å; A63-T65 PolarHBondContact O-N 2.97Å; A63-M66 WeakPolarHBondContact O-CB 3.2Å; A63-M66 PolarHBondContact O-N 3.37Å; A63-M66 VanDerWaalsContact O-N 3.11Å
64T90.4Very high91.6Very high54 Ų5484 Ų8433%0.33148%0.481SS..Hα-helixtrans-67.3-16.2177.6-53.40000113.5S60 V62 A72S60-T64 PolarHBondContact O-N 2.95Å; S60-T64 PolarHBondContact O-OG1 3.44Å; S60-T64 VanDerWaalsContact O-OG1 3.07Å; V62-T64 VanDerWaalsContact C-N 3.35Å; V62-T64 PolarHBondContact O-N 3.41Å; T64-A72 HydrophobicContact CG2-CB 4.28Å
65T90.3Very high91.6Very high115 Ų11581.2 Ų81.271%0.70647%0.465SS*.THydrogen-bonded Turntrans-86.1-9.4172.563.50000114.4A61 V62 A63A61-T65 WeakPolarHBondContact O-CG2 3.4Å; A61-T65 PolarHBondContact O-N 2.94Å; V62-T65 PolarHBondContact O-N 3.36Å; V62-T65 PolarHBondContact O-OG1 3.17Å; A63-T65 PolarHBondContact O-N 2.97Å
66M90.7Very high91.7Very high110 Ų11078.6 Ų78.654%0.54245%0.453SS..SBendtrans-73143.3179.5-62.3-177.268.300111.2A63 V68A63-M66 WeakPolarHBondContact O-CB 3.2Å; A63-M66 PolarHBondContact O-N 3.37Å; A63-M66 VanDerWaalsContact O-N 3.11Å; M66-V68 HydrophobicContact CB-CG2 4.17Å; M66-V68 PolarHBondContact O-N 3.39Å
67P90.7Very high91.9Very high136 Ų13675.4 Ų75.488%0.88344%0.439SS*.SBendtrans-78.855.118034.5-37.1000111.8
68V91.3Very high91.9Very high83 Ų8369 Ų6950%0.50341%0.411SS..SBendtrans-127.5139.5-174.2179.60000108.6M66 C70M66-V68 HydrophobicContact CB-CG2 4.17Å; M66-V68 PolarHBondContact O-N 3.39Å; V68-C70 PolarHBondContact O-N 2.8Å; V68-C70 PolarHBondContact O-SG 2.8Å; V68-C70 VanDerWaalsContact O-SG 3.34Å
69P91.4Very high92Very high134 Ų13460.7 Ų60.787%0.8738%0.381SS*.  trans-62.4105.8171.926.2-34.3000110.2
70C86.7Confident92.2Very high77 Ų7755.4 Ų55.452%0.5235%0.354SS..  trans-143.4150.1-178.161.20000111.6V68V68-C70 PolarHBondContact O-N 2.8Å; V68-C70 PolarHBondContact O-SG 2.8Å; V68-C70 VanDerWaalsContact O-SG 3.34Å
71G90.2Very high92.4Very high59 Ų5954.6 Ų54.661%0.60835%0.349SS*.  trans-97124.517700000112F73 P75G71-F73 VanDerWaalsContact C-N 3.31Å; G71-F73 PolarHBondContact O-N 3.1Å; G71-P75 WeakPolarHBondContact O-CD 3.37Å
72A90.6Very high92.6Very high12 Ų1252 Ų5210%0.09933%0.328CS..SBendtrans-75.6-15.617800000114.2T64 V76 L164T64-A72 HydrophobicContact CG2-CB 4.28Å; A72-V76 WeakPolarHBondContact O-CG2 3.2Å; A72-L164 HydrophobicContact CB-CD1 4Å; A72-L164 HydrophobicContact CB-CD2 3.84Å
73F93.8Very high92.8Very high54 Ų5454.2 Ų54.224%0.23733%0.332CS..Hα-helixtrans-67.2-53.8-173.9-177.4-95.9000113.5G71 V76 F77 T124 T129G71-F73 VanDerWaalsContact C-N 3.31Å; G71-F73 PolarHBondContact O-N 3.1Å; F73-V76 PolarHBondContact O-N 3.2Å; F73-V76 VanDerWaalsContact O-N 3.16Å; F73-F77 HydrophobicContact CE1-CB 4.29Å; F73-F77 AromaticContact CE1-CD2 3.93Å; F73-F77 HydrophobicContact CE1-CD2 3.93Å; F73-F77 HydrophobicContact CE1-CE2 4.49Å; F73-F77 HydrophobicContact CE1-CG 4.21Å; F73-F77 AromaticContact CZ-CD2 3.85Å; F73-F77 HydrophobicContact CZ-CD2 3.85Å; F73-F77 HydrophobicContact CZ-CE2 4.32Å; F73-F77 WeakPolarHBondContact O-CB 3.12Å; F73-F77 PolarHBondContact O-N 3.29Å; F73-T124 HydrophobicContact CD2-CG2 4.2Å; F73-T129 HydrophobicContact CE2-CG2 3.93Å
74M92.9Very high93Very high72 Ų7252.2 Ų52.236%0.35532%0.316SS..Hα-helixtrans-60.9-41-173.7-176.960.371.200113.7L11 V76 F77 L78L11-M74 HydrophobicContact CD2-SD 4.47Å; M74-V76 PolarHBondContact O-N 2.8Å; M74-F77 PolarHBondContact O-N 3.24Å; M74-F77 HydrophobicContact SD-CD1 4.48Å; M74-L78 WeakPolarHBondContact O-CB 3.19Å; M74-L78 PolarHBondContact O-N 3.3Å
75P93.4Very high93.2Very high33 Ų3349.7 Ų49.721%0.21430%0.3CS..Hα-helixtrans-60.2-43.4172.7-26.736.4000113.8S60 G71 L78 I79S60-P75 WeakPolarHBondContact OG-CB 3.32Å; G71-P75 WeakPolarHBondContact O-CD 3.37Å; P75-L78 PolarHBondContact O-N 2.73Å; P75-I79 WeakPolarHBondContact O-CD1 3.47Å; P75-I79 VanDerWaalsContact O-CG1 3.24Å; P75-I79 WeakPolarHBondContact O-CG1 3.3Å; P75-I79 PolarHBondContact O-N 3.16Å
76V94.6Very high93.5Very high20 Ų2045 Ų4512%0.12127%0.271CS..Hα-helixtrans-65.2-43.3178174.70000110.7A72 F73 M74 L78 I79 G80 L119 V123A72-V76 WeakPolarHBondContact O-CG2 3.2Å; F73-V76 PolarHBondContact O-N 3.2Å; F73-V76 VanDerWaalsContact O-N 3.16Å; M74-V76 PolarHBondContact O-N 2.8Å; V76-L78 VanDerWaalsContact C-N 3.33Å; V76-L78 PolarHBondContact O-N 3.45Å; V76-I79 PolarHBondContact O-N 3Å; V76-G80 PolarHBondContact O-N 2.96Å; V76-L119 HydrophobicContact CG1-CD2 4.33Å; V76-L119 HydrophobicContact CG1-CG 4.08Å; V76-V123 HydrophobicContact CG1-CB 3.98Å; V76-V123 HydrophobicContact CG1-CG1 4.29Å; V76-V123 HydrophobicContact CG1-CG2 3.82Å; V76-V123 HydrophobicContact CG2-CG1 4.24Å
77F95.8Very high93.7Very high1 Ų142.2 Ų42.20%0.00426%0.26CS..Hα-helixtrans-57.6-44.9176.5-165.4-103.3000111.9L11 F15 F73 M74 G80 A81 A116 S120 V133 L136L11-F77 HydrophobicContact CD1-CD1 3.82Å; L11-F77 HydrophobicContact CD1-CE1 3.78Å; L11-F77 HydrophobicContact CD2-CD1 4.06Å; L11-F77 HydrophobicContact CD2-CE1 3.82Å; L11-F77 HydrophobicContact CG-CE1 4.41Å; F15-F77 HydrophobicContact CE2-CE1 4.4Å; F15-F77 AromaticContact CZ-CE1 3.95Å; F15-F77 HydrophobicContact CZ-CE1 3.95Å; F15-F77 HydrophobicContact CZ-CZ 4.24Å; F73-F77 HydrophobicContact CE1-CB 4.29Å; F73-F77 AromaticContact CE1-CD2 3.93Å; F73-F77 HydrophobicContact CE1-CD2 3.93Å; F73-F77 HydrophobicContact CE1-CE2 4.49Å; F73-F77 HydrophobicContact CE1-CG 4.21Å; F73-F77 AromaticContact CZ-CD2 3.85Å; F73-F77 HydrophobicContact CZ-CD2 3.85Å; F73-F77 HydrophobicContact CZ-CE2 4.32Å; F73-F77 WeakPolarHBondContact O-CB 3.12Å; F73-F77 PolarHBondContact O-N 3.29Å; M74-F77 PolarHBondContact O-N 3.24Å; M74-F77 HydrophobicContact SD-CD1 4.48Å; F77-G80 PolarHBondContact O-N 2.91Å; F77-A81 WeakPolarHBondContact O-CB 3.28Å; F77-A81 PolarHBondContact O-N 2.86Å; F77-A116 HydrophobicContact CD1-CB 4.32Å; F77-A116 HydrophobicContact CD2-CB 4.04Å; F77-A116 HydrophobicContact CE1-CB 4.1Å; F77-A116 HydrophobicContact CE2-CB 3.83Å; F77-A116 HydrophobicContact CG-CB 4.3Å; F77-A116 HydrophobicContact CZ-CB 3.87Å; F77-S120 VanDerWaalsContact CA-OG 3.27Å; F77-S120 WeakPolarHBondContact CA-OG 3.24Å; F77-S120 PolarHBondContact N-OG 3.43Å; F77-V133 HydrophobicContact CE2-CG2 3.39Å; F77-V133 HydrophobicContact CZ-CG2 3.61Å; F77-L136 HydrophobicContact CE1-CD1 4.47Å; F77-L136 HydrophobicContact CZ-CD1 4.18Å
78L94.9Very high93.8Very high5 Ų535.8 Ų35.83%0.02622%0.218CC..Hα-helixtrans-68.9-33.9178.3-169.568.9000113L11 L14 F52 M74 P75 V76 A82L11-L78 HydrophobicContact CB-CD1 3.97Å; L11-L78 HydrophobicContact CD1-CD1 4.19Å; L14-L78 HydrophobicContact CD1-CD1 3.8Å; L14-L78 HydrophobicContact CD1-CG 4.49Å; F52-L78 HydrophobicContact CE1-CG 4.37Å; F52-L78 HydrophobicContact CZ-CD2 3.99Å; F52-L78 HydrophobicContact CZ-CG 4.13Å; M74-L78 WeakPolarHBondContact O-CB 3.19Å; M74-L78 PolarHBondContact O-N 3.3Å; P75-L78 PolarHBondContact O-N 2.73Å; V76-L78 VanDerWaalsContact C-N 3.33Å; V76-L78 PolarHBondContact O-N 3.45Å; L78-A82 WeakPolarHBondContact O-CB 3.49Å; L78-A82 PolarHBondContact O-N 2.93Å
79I95.4Very high93.8Very high12 Ų1231.8 Ų31.86%0.06219%0.194CC..Hα-helixtrans-67.5-41.3172.3-67.3159.5000110.2I53 K56 F57 P75 V76 A82 F83 L119I53-I79 HydrophobicContact CG2-CG2 4.32Å; K56-I79 HydrophobicContact CB-CD1 4.36Å; K56-I79 HydrophobicContact CB-CG1 3.91Å; F57-I79 HydrophobicContact CB-CD1 4.3Å; P75-I79 WeakPolarHBondContact O-CD1 3.47Å; P75-I79 VanDerWaalsContact O-CG1 3.24Å; P75-I79 WeakPolarHBondContact O-CG1 3.3Å; P75-I79 PolarHBondContact O-N 3.16Å; V76-I79 PolarHBondContact O-N 3Å; I79-A82 PolarHBondContact O-N 2.8Å; I79-F83 PolarHBondContact O-N 3.46Å; I79-L119 HydrophobicContact CB-CD2 4.18Å; I79-L119 HydrophobicContact CG2-CD2 3.78Å
80G96.8Very high93.8Very high0 Ų028.8 Ų28.80%017%0.169CC..Hα-helixtrans-62.9-44.4174.900000112.2V76 F77 A82 F83 G84 G115 A116V76-G80 PolarHBondContact O-N 2.96Å; F77-G80 PolarHBondContact O-N 2.91Å; G80-A82 VanDerWaalsContact C-N 3.34Å; G80-A82 PolarHBondContact O-N 3.09Å; G80-F83 PolarHBondContact O-N 2.95Å; G80-G84 PolarHBondContact O-N 2.93Å; G80-G115 CarbonylContact C-O 3.46Å; G80-G115 WeakPolarHBondContact CA-O 3.49Å; G80-G115 CarbonylContact O-C 3.54Å; G80-G115 WeakPolarHBondContact O-CA 3.35Å; G80-A116 PolarHBondContact O-N 2.95Å
81A95.9Very high94.1Very high0 Ų028.4 Ų28.40%016%0.161CC..Hα-helixtrans-57.9-45.5173.800000111.6L11 L14 F15 F77 G84 R85 A112 A116L11-A81 HydrophobicContact CD1-CB 3.96Å; L14-A81 HydrophobicContact CB-CB 4.19Å; L14-A81 HydrophobicContact CD1-CB 3.91Å; F15-A81 HydrophobicContact CE1-CB 3.93Å; F77-A81 WeakPolarHBondContact O-CB 3.28Å; F77-A81 PolarHBondContact O-N 2.86Å; A81-G84 PolarHBondContact O-N 3.14Å; A81-R85 VanDerWaalsContact O-CB 3.27Å; A81-R85 WeakPolarHBondContact O-CB 3.47Å; A81-R85 PolarHBondContact O-N 2.89Å; A81-A112 WeakPolarHBondContact CA-O 3.34Å; A81-A112 WeakPolarHBondContact O-CB 3.3Å; A81-A116 HydrophobicContact CB-CB 3.99Å
82A95.3Very high94Very high0 Ų026.3 Ų26.30%014%0.138CC..Hα-helixtrans-67.3-36.6178.400000113L14 L49 F52 I53 L78 I79 G80 L86L14-A82 HydrophobicContact CD1-CB 4.01Å; L14-A82 HydrophobicContact CD2-CB 4.29Å; L49-A82 HydrophobicContact CD2-CB 4.47Å; F52-A82 HydrophobicContact CD1-CB 3.74Å; F52-A82 HydrophobicContact CE1-CB 3.78Å; I53-A82 HydrophobicContact CD1-CB 4.29Å; I53-A82 HydrophobicContact CG1-CB 3.68Å; L78-A82 WeakPolarHBondContact O-CB 3.49Å; L78-A82 PolarHBondContact O-N 2.93Å; I79-A82 PolarHBondContact O-N 2.8Å; G80-A82 VanDerWaalsContact C-N 3.34Å; G80-A82 PolarHBondContact O-N 3.09Å; A82-L86 WeakPolarHBondContact O-CB 3.44Å; A82-L86 PolarHBondContact O-N 2.92Å
83F96.5Very high93.8Very high116 Ų11629 Ų2951%0.50915%0.154SC..Hα-helixtrans-68.5-44.1174.2-178.5-100.1000112.1I53 I79 G80 L86 V87I53-F83 HydrophobicContact CD1-CB 4.3Å; I79-F83 PolarHBondContact O-N 3.46Å; G80-F83 PolarHBondContact O-N 2.95Å; F83-L86 WeakPolarHBondContact O-CB 3.27Å; F83-L86 PolarHBondContact O-N 3.09Å; F83-V87 HydrophobicContact CE1-CG2 4.16Å; F83-V87 HydrophobicContact CZ-CG2 4.2Å; F83-V87 PolarHBondContact O-N 2.97Å
84G96.3Very high93.6Very high4 Ų432.6 Ų32.64%0.04117%0.172CC..Hα-helixtrans-61.4-42.917400000112.4G80 A81 L86 V87 G88 Y111G80-G84 PolarHBondContact O-N 2.93Å; A81-G84 PolarHBondContact O-N 3.14Å; G84-L86 VanDerWaalsContact C-N 3.34Å; G84-L86 PolarHBondContact O-N 3.22Å; G84-V87 PolarHBondContact O-N 3.11Å; G84-G88 PolarHBondContact O-N 3.39Å; G84-Y111 CarbonylContact C-O 3.58Å; G84-Y111 WeakPolarHBondContact CA-O 3.2Å; G84-Y111 CarbonylContact O-C 3.59Å; G84-Y111 VanDerWaalsContact O-CB 3.31Å; G84-Y111 WeakPolarHBondContact O-CB 3.39Å
85R94.9Very high93.3Very high0 Ų034.5 Ų34.50%018%0.179CC..Hα-helixtrans-55.1-48.7172.2-172.884.2-159.1-179.28.3111.4L14 D16 R18 W20 L49 A81 V87 G88 E89 A112L14-R85 HydrophobicContact CD2-CB 3.82Å; L14-R85 HydrophobicContact CD2-CG 3.8Å; L14-R85 WeakPolarHBondContact O-CD 3.47Å; L14-R85 PolarHBondContact O-NH1 3.31Å; D16-R85 PolarHBondContact O-NH1 2.83Å; R18-R85 PolarHBondContact O-NH2 3.11Å; W20-R85 VanDerWaalsContact CD1-NH2 3.34Å; W20-R85 HydrophobicContact CE3-CG 4.42Å; W20-R85 HydrophobicContact CH2-CG 4.48Å; W20-R85 HydrophobicContact CZ3-CG 4.07Å; W20-R85 VanDerWaalsContact NE1-NH2 3.2Å; L49-R85 HydrophobicContact CD1-CG 3.92Å; L49-R85 HydrophobicContact CD2-CB 4.26Å; L49-R85 HydrophobicContact CD2-CG 4.02Å; A81-R85 VanDerWaalsContact O-CB 3.27Å; A81-R85 WeakPolarHBondContact O-CB 3.47Å; A81-R85 PolarHBondContact O-N 2.89Å; R85-V87 VanDerWaalsContact C-N 3.34Å; R85-V87 PolarHBondContact O-N 2.93Å; R85-G88 PolarHBondContact O-N 2.96Å; R85-E89 HydrophobicContact CG-CG 4.42Å; R85-E89 IonicContact CZ-OE1 3.74Å; R85-E89 IonicContact NE-OE1 3.3Å; R85-E89 PolarHBondContact NE-OE1 3.3Å; R85-E89 IonicContact NH2-OE1 3.72Å; R85-E89 PolarHBondContact NH2-OE1 3.08Å; R85-E89 WeakPolarHBondContact O-CG 3.48Å; R85-E89 PolarHBondContact O-N 3.17Å; R85-A112 HydrophobicContact CB-CB 4.04Å
86L94.9Very high92.7Very high18 Ų1835.4 Ų35.49%0.09419%0.185CC..Hα-helixtrans-58.5-45179.4178.365.3000111.5F46 L49 I50 I53 A82 F83 G84 I90F46-L86 HydrophobicContact CB-CD1 4.48Å; F46-L86 HydrophobicContact CD1-CD1 3.93Å; L49-L86 HydrophobicContact CB-CD1 4.18Å; L49-L86 HydrophobicContact CD1-CD1 4.48Å; I50-L86 HydrophobicContact CD1-CD1 4.34Å; I50-L86 HydrophobicContact CD1-CD2 4.39Å; I50-L86 HydrophobicContact CG1-CD1 3.98Å; I50-L86 HydrophobicContact CG1-CD2 3.58Å; I50-L86 HydrophobicContact CG1-CG 4.46Å; I53-L86 HydrophobicContact CD1-CB 4.37Å; I53-L86 HydrophobicContact CD1-CD2 3.91Å; A82-L86 WeakPolarHBondContact O-CB 3.44Å; A82-L86 PolarHBondContact O-N 2.92Å; F83-L86 WeakPolarHBondContact O-CB 3.27Å; F83-L86 PolarHBondContact O-N 3.09Å; G84-L86 VanDerWaalsContact C-N 3.34Å; G84-L86 PolarHBondContact O-N 3.22Å; L86-I90 HydrophobicContact CD1-CD1 4.28Å; L86-I90 HydrophobicContact CG-CD1 4.16Å; L86-I90 WeakPolarHBondContact O-CD1 3.17Å; L86-I90 WeakPolarHBondContact O-CG1 3.43Å; L86-I90 PolarHBondContact O-N 2.95Å; L86-I90 VanDerWaalsContact O-N 3.08Å
87V95.1Very high92Very high51 Ų5139.1 Ų39.131%0.30920%0.204SC..Hα-helixtrans-66.1-40.9176175.60000111.8F83 G84 R85 I90 M91 Y111F83-V87 HydrophobicContact CE1-CG2 4.16Å; F83-V87 HydrophobicContact CZ-CG2 4.2Å; F83-V87 PolarHBondContact O-N 2.97Å; G84-V87 PolarHBondContact O-N 3.11Å; R85-V87 VanDerWaalsContact C-N 3.34Å; R85-V87 PolarHBondContact O-N 2.93Å; V87-I90 PolarHBondContact O-N 3.13Å; V87-M91 WeakPolarHBondContact O-CG 3.48Å; V87-M91 PolarHBondContact O-N 3.17Å; V87-Y111 HydrophobicContact CG1-CD1 4.28Å
88G93.3Very high91.3Very high0 Ų039.6 Ų39.60%021%0.209CC..Hα-helixtrans-64-4517800000113.6G84 R85 I90 M91 A92G84-G88 PolarHBondContact O-N 3.39Å; R85-G88 PolarHBondContact O-N 2.96Å; G88-I90 VanDerWaalsContact C-N 3.34Å; G88-M91 PolarHBondContact O-N 3.24Å; G88-A92 WeakPolarHBondContact O-CB 3.49Å; G88-A92 PolarHBondContact O-N 3.3Å
89E91.6Very high90.4Very high0 Ų044.7 Ų44.70%024%0.235CC..Hα-helixtrans-65.7-36.6175-66.2-74.1163.700111.2W20 C21 F46 R85 A92 T93 P108W20-E89 WeakPolarHBondContact CB-OE1 3.38Å; W20-E89 PolarHBondContact N-OE1 2.92Å; W20-E89 PolarHBondContact N-OE2 3.28Å; C21-E89 PolarHBondContact N-OE2 2.98Å; C21-E89 VanDerWaalsContact N-OE2 3.13Å; C21-E89 PolarHBondContact SG-OE2 2.95Å; F46-E89 HydrophobicContact CE1-CB 3.73Å; F46-E89 HydrophobicContact CZ-CB 4.31Å; R85-E89 HydrophobicContact CG-CG 4.42Å; R85-E89 IonicContact CZ-OE1 3.74Å; R85-E89 IonicContact NE-OE1 3.3Å; R85-E89 PolarHBondContact NE-OE1 3.3Å; R85-E89 IonicContact NH2-OE1 3.72Å; R85-E89 PolarHBondContact NH2-OE1 3.08Å; R85-E89 WeakPolarHBondContact O-CG 3.48Å; R85-E89 PolarHBondContact O-N 3.17Å; E89-A92 PolarHBondContact O-N 3.03Å; E89-T93 PolarHBondContact O-N 3.25Å; E89-T93 PolarHBondContact O-OG1 2.79Å; E89-P108 HydrophobicContact CG-CB 4.19Å; E89-P108 WeakPolarHBondContact OE1-CG 3.37Å
90I92.1Very high89.3Confident70 Ų7051.4 Ų51.436%0.35927%0.266SS..Hα-helixtrans-61-50.6173.4-72.4165.6000109.6F46 L86 V87 G88 A92 T93 M94F46-I90 HydrophobicContact CD1-CG1 4.01Å; F46-I90 HydrophobicContact CE1-CB 4.45Å; F46-I90 HydrophobicContact CE1-CG1 3.66Å; L86-I90 HydrophobicContact CD1-CD1 4.28Å; L86-I90 HydrophobicContact CG-CD1 4.16Å; L86-I90 WeakPolarHBondContact O-CD1 3.17Å; L86-I90 WeakPolarHBondContact O-CG1 3.43Å; L86-I90 PolarHBondContact O-N 2.95Å; L86-I90 VanDerWaalsContact O-N 3.08Å; V87-I90 PolarHBondContact O-N 3.13Å; G88-I90 VanDerWaalsContact C-N 3.34Å; I90-A92 VanDerWaalsContact C-N 3.34Å; I90-A92 PolarHBondContact O-N 3.11Å; I90-T93 PolarHBondContact O-N 2.67Å; I90-T93 PolarHBondContact O-OG1 2.89Å; I90-M94 HydrophobicContact CG2-CG 4.37Å; I90-M94 HydrophobicContact CG2-SD 4.23Å; I90-M94 WeakPolarHBondContact O-CG 3.3Å; I90-M94 PolarHBondContact O-N 3.25Å
91M91.2Very high87.7Confident69 Ų6953 Ų5334%0.3428%0.282SS..Hα-helixtrans-58.3-43.5177.9-74.4-65-170.500112.3V87 G88 T93 M94 F95 I106 Y111V87-M91 WeakPolarHBondContact O-CG 3.48Å; V87-M91 PolarHBondContact O-N 3.17Å; G88-M91 PolarHBondContact O-N 3.24Å; M91-T93 VanDerWaalsContact C-N 3.25Å; M91-T93 PolarHBondContact O-N 3.33Å; M91-M94 PolarHBondContact O-N 3.29Å; M91-M94 VanDerWaalsContact O-N 3.16Å; M91-F95 PolarHBondContact O-N 3.49Å; M91-F95 HydrophobicContact SD-CD2 4.31Å; M91-F95 HydrophobicContact SD-CE2 4.16Å; M91-I106 HydrophobicContact CB-CD1 4.21Å; M91-I106 HydrophobicContact CB-CG2 4.13Å; M91-Y111 HydrophobicContact CG-CE1 4.26Å
92A88.8Confident86.1Confident15 Ų1559.5 Ų59.512%0.12432%0.317CS..Hα-helixtrans-63.4-26.8176.100000113.6T19 G88 E89 I90 I106T19-A92 HydrophobicContact CG2-CB 3.79Å; G88-A92 WeakPolarHBondContact O-CB 3.49Å; G88-A92 PolarHBondContact O-N 3.3Å; E89-A92 PolarHBondContact O-N 3.03Å; I90-A92 VanDerWaalsContact C-N 3.34Å; I90-A92 PolarHBondContact O-N 3.11Å; A92-I106 HydrophobicContact CB-CB 4.37Å; A92-I106 HydrophobicContact CB-CG2 4.27Å
93T87.3Confident84.8Confident70 Ų7064.5 Ų64.543%0.42935%0.348SS..Hα-helixtrans-85.6-24.4171.957.50000114.7C21 F46 E89 I90 M91C21-T93 HydrophobicContact CB-CG2 3.67Å; F46-T93 HydrophobicContact CE2-CG2 4.2Å; F46-T93 HydrophobicContact CZ-CG2 3.74Å; E89-T93 PolarHBondContact O-N 3.25Å; E89-T93 PolarHBondContact O-OG1 2.79Å; I90-T93 PolarHBondContact O-N 2.67Å; I90-T93 PolarHBondContact O-OG1 2.89Å; M91-T93 VanDerWaalsContact C-N 3.25Å; M91-T93 PolarHBondContact O-N 3.33Å
94M88.3Confident83.9Confident128 Ų12866.3 Ų66.363%0.63135%0.352SS*.Hα-helixtrans-82.6-29.8175.6-66.7-16376.300112.8I90 M91I90-M94 HydrophobicContact CG2-CG 4.37Å; I90-M94 HydrophobicContact CG2-SD 4.23Å; I90-M94 WeakPolarHBondContact O-CG 3.3Å; I90-M94 PolarHBondContact O-N 3.25Å; M91-M94 PolarHBondContact O-N 3.29Å; M91-M94 VanDerWaalsContact O-N 3.16Å
95F86.7Confident83.2Confident113 Ų11370.2 Ų70.250%0.49638%0.376SS..  trans-126.870.6177.9-57.8-81.9000109.8M91 D97 G98 I106M91-F95 PolarHBondContact O-N 3.49Å; M91-F95 HydrophobicContact SD-CD2 4.31Å; M91-F95 HydrophobicContact SD-CE2 4.16Å; F95-D97 PolarHBondContact O-N 2.88Å; F95-G98 PolarHBondContact O-N 3.49Å; F95-I106 HydrophobicContact CB-CD1 3.75Å; F95-I106 HydrophobicContact CD2-CD1 4.4Å; F95-I106 HydrophobicContact CG-CD1 4.47Å
96P81.3Confident82.9Confident52 Ų5271 Ų7134%0.33838%0.38SS..THydrogen-bonded Turntrans-61.8-27.3-177.126.2-35.2000112.6R22 G98R22-P96 VanDerWaalsContact CZ-O 3.23Å; R22-P96 PolarHBondContact NH1-O 3.1Å; R22-P96 PolarHBondContact NH2-O 3.49Å; P96-G98 VanDerWaalsContact C-N 3.34Å
97D79.6Confident82.6Confident97 Ų9773 Ų7352%0.51939%0.394SS..THydrogen-bonded Turntrans-99.521.1-176-44.2-33.3000111.3R22 F95 G101 D102R22-D97 IonicContact NH2-OD1 3.17Å; F95-D97 PolarHBondContact O-N 2.88Å; D97-G101 CarbonylContact O-C 2.9Å; D97-G101 WeakPolarHBondContact O-CA 3.34Å; D97-G101 PolarHBondContact O-N 3.47Å; D97-D102 PolarHBondContact O-N 2.94Å
98G81.3Confident82.4Confident11 Ų1170.6 Ų70.611%0.11338%0.379CS..  trans74.4-168.8177.600000114.7F95 P96 Y104F95-G98 PolarHBondContact O-N 3.49Å; P96-G98 VanDerWaalsContact C-N 3.34Å; G98-Y104 VanDerWaalsContact CA-O 3.24Å; G98-Y104 WeakPolarHBondContact CA-O 3.33Å
99I76.1Confident82.3Confident113 Ų11370.7 Ų70.758%0.57938%0.38SS*.SBendtrans-88.5-25.5-175.4-57.1178.2000112Y104 I106I99-Y104 PolarHBondContact N-O 2.74Å; I99-I106 HydrophobicContact CG1-CD1 4.33Å; I99-I106 HydrophobicContact CG1-CG1 4.26Å
100H73.1Confident82.3Confident152 Ų15271.7 Ų71.770%0.70439%0.39SS*.SBendtrans-137.434.2179.9-68100.1000111.8
101G62.3Low82.4Confident33 Ų3372.1 Ų72.134%0.3439%0.388SS..SBendtrans82.7-178.5-165.900000112.5D97 V103 Y104D97-G101 CarbonylContact O-C 2.9Å; D97-G101 WeakPolarHBondContact O-CA 3.34Å; D97-G101 PolarHBondContact O-N 3.47Å; G101-V103 PolarHBondContact O-N 2.87Å; G101-Y104 PolarHBondContact O-N 3.02Å; G101-Y104 VanDerWaalsContact O-N 3.16Å
102D62.8Low82.6Confident137 Ų13768.8 Ų68.873%0.73337%0.371SS*.THydrogen-bonded Turntrans-52.7-13.4-173.1-77.8-38.9000115.9D97 Y104D97-D102 PolarHBondContact O-N 2.94Å; D102-Y104 PolarHBondContact O-N 3.26Å
103V68.2Low82.9Confident106 Ų10669 Ų6964%0.64237%0.371SS*.THydrogen-bonded Turntrans-60.8-32176-169.40000112.4G101G101-V103 PolarHBondContact O-N 2.87Å
104Y77.4Confident83.3Confident154 Ų15467.6 Ų67.660%0.60436%0.362SS*.SBendtrans-135.980.4-176.6-65.5-64.5000112.5G98 I99 G101 D102G98-Y104 VanDerWaalsContact CA-O 3.24Å; G98-Y104 WeakPolarHBondContact CA-O 3.33Å; I99-Y104 PolarHBondContact N-O 2.74Å; G101-Y104 PolarHBondContact O-N 3.02Å; G101-Y104 VanDerWaalsContact O-N 3.16Å; D102-Y104 PolarHBondContact O-N 3.26Å
105P81.2Confident83.7Confident85 Ų8561.9 Ų61.955%0.55234%0.336SS*.  trans-68.5149.9175.229.3-35.5000112.2V107P105-V107 PolarHBondContact O-N 2.92Å
106I88Confident84.2Confident16 Ų1656.5 Ų56.58%0.08231%0.313CS..  trans-80.5116.7-179.7-63.1-177.3000110.2M91 A92 F95 I99 P108 Y111M91-I106 HydrophobicContact CB-CD1 4.21Å; M91-I106 HydrophobicContact CB-CG2 4.13Å; A92-I106 HydrophobicContact CB-CB 4.37Å; A92-I106 HydrophobicContact CB-CG2 4.27Å; F95-I106 HydrophobicContact CB-CD1 3.75Å; F95-I106 HydrophobicContact CD2-CD1 4.4Å; F95-I106 HydrophobicContact CG-CD1 4.47Å; I99-I106 HydrophobicContact CG1-CD1 4.33Å; I99-I106 HydrophobicContact CG1-CG1 4.26Å; I106-P108 WeakPolarHBondContact O-CD 3.45Å; I106-Y111 HydrophobicContact CG2-CD2 4.49Å; I106-Y111 HydrophobicContact CG2-CE2 3.77Å
107V89.2Confident84.9Confident62 Ų6254 Ų5438%0.37630%0.297SS..  trans-94.8107.6-179.9-179.60000110.4N17 P105 G109 G110 Y111N17-V107 HydrophobicContact CB-CG1 3.77Å; N17-V107 VanDerWaalsContact OD1-CG1 3.26Å; N17-V107 WeakPolarHBondContact OD1-CG1 3.39Å; P105-V107 PolarHBondContact O-N 2.92Å; V107-G109 VanDerWaalsContact C-N 3.3Å; V107-G109 PolarHBondContact O-N 3.46Å; V107-G110 PolarHBondContact O-N 2.91Å; V107-Y111 WeakPolarHBondContact O-CD2 3.46Å
108P91.1Very high85.8Confident0 Ų050.2 Ų50.20%028%0.278CS..Hα-helixtrans-69.7-23.3-174.527.9-36.1000113.8R18 T19 E89 I106 G110 Y111 A112R18-P108 WeakPolarHBondContact O-CG 3.45Å; T19-P108 HydrophobicContact CG2-CG 3.98Å; E89-P108 HydrophobicContact CG-CB 4.19Å; E89-P108 WeakPolarHBondContact OE1-CG 3.37Å; I106-P108 WeakPolarHBondContact O-CD 3.45Å; P108-G110 VanDerWaalsContact C-N 3.3Å; P108-G110 PolarHBondContact O-N 2.99Å; P108-Y111 PolarHBondContact O-N 2.93Å; P108-Y111 VanDerWaalsContact O-N 3.15Å; P108-A112 PolarHBondContact O-N 3.37Å
109G90.8Very high86.5Confident2 Ų252.7 Ų52.72%0.02129%0.289CS..Hα-helixtrans-56.1-42.3172.900000112.5D16 V107 Y111 A112 V113D16-G109 WeakPolarHBondContact O-CA 3.38Å; D16-G109 PolarHBondContact O-N 3.48Å; V107-G109 VanDerWaalsContact C-N 3.3Å; V107-G109 PolarHBondContact O-N 3.46Å; G109-Y111 VanDerWaalsContact C-N 3.33Å; G109-Y111 PolarHBondContact O-N 3.46Å; G109-A112 WeakPolarHBondContact O-CB 3.29Å; G109-A112 PolarHBondContact O-N 3.49Å; G109-A112 VanDerWaalsContact O-N 3.15Å; G109-V113 WeakPolarHBondContact O-CG2 3.29Å; G109-V113 PolarHBondContact O-N 2.86Å
110G92.1Very high87.5Confident20 Ų2047.4 Ų47.421%0.20626%0.262CS..Hα-helixtrans-61.6-37.4175.700000113.4V107 P108 V113 V114V107-G110 PolarHBondContact O-N 2.91Å; P108-G110 VanDerWaalsContact C-N 3.3Å; P108-G110 PolarHBondContact O-N 2.99Å; G110-V113 PolarHBondContact O-N 3.43Å; G110-V114 VanDerWaalsContact O-CG2 3.29Å; G110-V114 WeakPolarHBondContact O-CG2 3.43Å; G110-V114 PolarHBondContact O-N 3.36Å
111Y94.6Very high88.6Confident79 Ų7940.1 Ų40.131%0.3123%0.228SC..Hα-helixtrans-70.5-36.1175-70.7-102.5000111.9G84 V87 M91 I106 V107 P108 G109 V114 G115G84-Y111 CarbonylContact C-O 3.58Å; G84-Y111 WeakPolarHBondContact CA-O 3.2Å; G84-Y111 CarbonylContact O-C 3.59Å; G84-Y111 VanDerWaalsContact O-CB 3.31Å; G84-Y111 WeakPolarHBondContact O-CB 3.39Å; V87-Y111 HydrophobicContact CG1-CD1 4.28Å; M91-Y111 HydrophobicContact CG-CE1 4.26Å; I106-Y111 HydrophobicContact CG2-CD2 4.49Å; I106-Y111 HydrophobicContact CG2-CE2 3.77Å; V107-Y111 WeakPolarHBondContact O-CD2 3.46Å; P108-Y111 PolarHBondContact O-N 2.93Å; P108-Y111 VanDerWaalsContact O-N 3.15Å; G109-Y111 VanDerWaalsContact C-N 3.33Å; G109-Y111 PolarHBondContact O-N 3.46Å; Y111-V114 PolarHBondContact O-N 3.09Å; Y111-G115 PolarHBondContact O-N 3.27Å
112A95.2Very high90.2Very high0 Ų039.4 Ų39.40%022%0.219CC..Hα-helixtrans-61.4-43.6171.800000111.8L14 F15 A81 R85 P108 G109 G115 A116L14-A112 WeakPolarHBondContact O-CB 3.44Å; F15-A112 HydrophobicContact CD1-CB 3.97Å; F15-A112 HydrophobicContact CE1-CB 4.33Å; A81-A112 WeakPolarHBondContact CA-O 3.34Å; A81-A112 WeakPolarHBondContact O-CB 3.3Å; R85-A112 HydrophobicContact CB-CB 4.04Å; P108-A112 PolarHBondContact O-N 3.37Å; G109-A112 WeakPolarHBondContact O-CB 3.29Å; G109-A112 PolarHBondContact O-N 3.49Å; G109-A112 VanDerWaalsContact O-N 3.15Å; A112-G115 PolarHBondContact O-N 3.38Å; A112-A116 WeakPolarHBondContact O-CB 3.2Å; A112-A116 PolarHBondContact O-N 3.41Å
113V94.7Very high91.8Very high20 Ų2035 Ų3512%0.12120%0.197CC..Hα-helixtrans-59.5-47.6174.4168.90000111.5F15 G109 G110 G115 A116 A117 V133 T137F15-V113 HydrophobicContact CD1-CG2 3.73Å; F15-V113 HydrophobicContact CD2-CG2 4.29Å; F15-V113 HydrophobicContact CE1-CB 4.47Å; F15-V113 HydrophobicContact CE1-CG2 3.82Å; F15-V113 HydrophobicContact CE2-CG2 4.36Å; F15-V113 HydrophobicContact CG-CG2 3.98Å; F15-V113 HydrophobicContact CZ-CG2 4.13Å; G109-V113 WeakPolarHBondContact O-CG2 3.29Å; G109-V113 PolarHBondContact O-N 2.86Å; G110-V113 PolarHBondContact O-N 3.43Å; V113-G115 PolarHBondContact O-N 3.08Å; V113-A116 PolarHBondContact O-N 3.25Å; V113-A117 PolarHBondContact O-N 3.48Å; V113-A117 VanDerWaalsContact O-N 3.14Å; V113-V133 HydrophobicContact CG1-CG1 3.4Å; V113-T137 HydrophobicContact CG1-CG2 3.96Å; V113-T137 HydrophobicContact CG2-CG2 3.79Å
114V96.1Very high93.1Very high39 Ų3930.8 Ų30.824%0.23617%0.171CC..Hα-helixtrans-58.8-46.1174.1174.20000111.6G110 Y111 A117 A118 V146 A149G110-V114 VanDerWaalsContact O-CG2 3.29Å; G110-V114 WeakPolarHBondContact O-CG2 3.43Å; G110-V114 PolarHBondContact O-N 3.36Å; Y111-V114 PolarHBondContact O-N 3.09Å; V114-A117 PolarHBondContact O-N 2.96Å; V114-A118 WeakPolarHBondContact O-CB 3.49Å; V114-A118 PolarHBondContact O-N 2.94Å; V114-V146 HydrophobicContact CB-CG2 4.37Å; V114-V146 HydrophobicContact CG2-CG2 3.52Å; V114-A149 HydrophobicContact CG1-CB 3.7Å
115G96.7Very high93.9Very high9 Ų925.4 Ų25.49%0.09315%0.152CC..Hα-helixtrans-66-38-178.800000113.6G80 Y111 A112 V113 L119G80-G115 CarbonylContact C-O 3.46Å; G80-G115 WeakPolarHBondContact CA-O 3.49Å; G80-G115 CarbonylContact O-C 3.54Å; G80-G115 WeakPolarHBondContact O-CA 3.35Å; Y111-G115 PolarHBondContact O-N 3.27Å; A112-G115 PolarHBondContact O-N 3.38Å; V113-G115 PolarHBondContact O-N 3.08Å; G115-L119 WeakPolarHBondContact O-CB 3.5Å; G115-L119 PolarHBondContact O-N 3.02Å; G115-L119 VanDerWaalsContact O-N 3.07Å
116A96.1Very high94.6Very high0 Ų024 Ų240%014%0.141CC..Hα-helixtrans-62.3-47.4174.600000111.4F15 F77 G80 A81 A112 V113 S120F15-A116 HydrophobicContact CE1-CB 4.17Å; F15-A116 HydrophobicContact CZ-CB 4.12Å; F77-A116 HydrophobicContact CD1-CB 4.32Å; F77-A116 HydrophobicContact CD2-CB 4.04Å; F77-A116 HydrophobicContact CE1-CB 4.1Å; F77-A116 HydrophobicContact CE2-CB 3.83Å; F77-A116 HydrophobicContact CG-CB 4.3Å; F77-A116 HydrophobicContact CZ-CB 3.87Å; G80-A116 PolarHBondContact O-N 2.95Å; A81-A116 HydrophobicContact CB-CB 3.99Å; A112-A116 WeakPolarHBondContact O-CB 3.2Å; A112-A116 PolarHBondContact O-N 3.41Å; V113-A116 PolarHBondContact O-N 3.25Å; A116-S120 WeakPolarHBondContact O-CB 3.44Å; A116-S120 PolarHBondContact O-N 2.92Å
117A96.5Very high95Very high0 Ų025.9 Ų25.90%015%0.154CC..Hα-helixtrans-59.8-55.1175.800000111.5V113 V114 L119 S120 G121 V133 V146 V150V113-A117 PolarHBondContact O-N 3.48Å; V113-A117 VanDerWaalsContact O-N 3.14Å; V114-A117 PolarHBondContact O-N 2.96Å; A117-L119 PolarHBondContact O-N 3.37Å; A117-S120 PolarHBondContact O-N 2.92Å; A117-G121 PolarHBondContact O-N 3.25Å; A117-V133 HydrophobicContact CB-CB 4.28Å; A117-V133 HydrophobicContact CB-CG1 4.36Å; A117-V133 HydrophobicContact CB-CG2 3.78Å; A117-V146 HydrophobicContact CB-CG1 3.69Å; A117-V150 HydrophobicContact CB-CG2 3.59Å
118A97.6Very high95.3Very high16 Ų1626 Ų2613%0.13216%0.157CC..Hα-helixtrans-65-42.5-171.600000113V114 A122 A149 V150 A153V114-A118 WeakPolarHBondContact O-CB 3.49Å; V114-A118 PolarHBondContact O-N 2.94Å; A118-A122 VanDerWaalsContact O-CB 3.26Å; A118-A122 WeakPolarHBondContact O-CB 3.32Å; A118-A122 PolarHBondContact O-N 2.97Å; A118-A149 HydrophobicContact CB-CB 4.37Å; A118-V150 HydrophobicContact CB-CG2 4.44Å; A118-A153 HydrophobicContact CB-CB 4.12Å
119L96.9Very high95.5Very high64 Ų6426.1 Ų26.134%0.33516%0.158SC..Hα-helixtrans-71.8-42.3179.4-171.666.5000112V76 I79 G115 A117 A122 V123V76-L119 HydrophobicContact CG1-CD2 4.33Å; V76-L119 HydrophobicContact CG1-CG 4.08Å; I79-L119 HydrophobicContact CB-CD2 4.18Å; I79-L119 HydrophobicContact CG2-CD2 3.78Å; G115-L119 WeakPolarHBondContact O-CB 3.5Å; G115-L119 PolarHBondContact O-N 3.02Å; G115-L119 VanDerWaalsContact O-N 3.07Å; A117-L119 PolarHBondContact O-N 3.37Å; L119-A122 PolarHBondContact O-N 3.48Å; L119-V123 WeakPolarHBondContact O-CG2 3.46Å; L119-V123 PolarHBondContact O-N 3.15Å; L119-V123 VanDerWaalsContact O-N 3.08Å
120S96.4Very high95.7Very high1 Ų126 Ų261%0.00716%0.157CC..Hα-helixtrans-65-43176.6-83.40000111.7F77 A116 A117 A122 V123 T124F77-S120 VanDerWaalsContact CA-OG 3.27Å; F77-S120 WeakPolarHBondContact CA-OG 3.24Å; F77-S120 PolarHBondContact N-OG 3.43Å; A116-S120 WeakPolarHBondContact O-CB 3.44Å; A116-S120 PolarHBondContact O-N 2.92Å; A117-S120 PolarHBondContact O-N 2.92Å; S120-A122 PolarHBondContact O-N 3.15Å; S120-V123 PolarHBondContact O-N 3.27Å; S120-T124 WeakPolarHBondContact O-CG2 3.29Å; S120-T124 PolarHBondContact O-N 2.86Å; S120-T124 PolarHBondContact O-OG1 2.83Å
121G96.4Very high95.8Very high0 Ų028.3 Ų28.30%017%0.167CC..Hα-helixtrans-56.7-48.717400000112A117 V123 T124 H125 T126 T129 N154A117-G121 PolarHBondContact O-N 3.25Å; G121-V123 VanDerWaalsContact C-N 3.27Å; G121-V123 PolarHBondContact O-N 3.45Å; G121-T124 CarbonylContact O-C 3.2Å; G121-T124 PolarHBondContact O-N 3.04Å; G121-T124 PolarHBondContact O-OG1 2.93Å; G121-H125 VanDerWaalsContact O-CA 3.32Å; G121-H125 WeakPolarHBondContact O-CA 3.42Å; G121-H125 PolarHBondContact O-N 3.16Å; G121-T126 WeakPolarHBondContact CA-O 3.42Å; G121-T126 PolarHBondContact O-N 3.08Å; G121-T129 WeakPolarHBondContact CA-OG1 3.28Å; G121-N154 WeakPolarHBondContact CA-OD1 3.32Å; G121-N154 PolarHBondContact O-OD1 3.35Å; G121-N154 VanDerWaalsContact O-OD1 3.06Å
122A96.9Very high95.8Very high18 Ų1827.6 Ų27.615%0.14917%0.168CC..Hα-helixtrans-60.1-35.3179.500000112.9A118 L119 S120 H125 A153 N154 A157A118-A122 VanDerWaalsContact O-CB 3.26Å; A118-A122 WeakPolarHBondContact O-CB 3.32Å; A118-A122 PolarHBondContact O-N 2.97Å; L119-A122 PolarHBondContact O-N 3.48Å; S120-A122 PolarHBondContact O-N 3.15Å; A122-H125 PolarHBondContact O-CD2 3.39Å; A122-H125 VanDerWaalsContact O-CD2 3.29Å; A122-A153 HydrophobicContact CB-CB 3.99Å; A122-N154 PolarHBondContact N-OD1 3.02Å; A122-A157 HydrophobicContact CB-CB 4.01Å; A122-A157 WeakPolarHBondContact O-CB 3.15Å
123V95.8Very high95.7Very high43 Ų4327.6 Ų27.626%0.26117%0.168SC..Hα-helixtrans-80.8-29.2179.5173.60000112.5V76 L119 S120 G121 L164V76-V123 HydrophobicContact CG1-CB 3.98Å; V76-V123 HydrophobicContact CG1-CG1 4.29Å; V76-V123 HydrophobicContact CG1-CG2 3.82Å; V76-V123 HydrophobicContact CG2-CG1 4.24Å; L119-V123 WeakPolarHBondContact O-CG2 3.46Å; L119-V123 PolarHBondContact O-N 3.15Å; L119-V123 VanDerWaalsContact O-N 3.08Å; S120-V123 PolarHBondContact O-N 3.27Å; G121-V123 VanDerWaalsContact C-N 3.27Å; G121-V123 PolarHBondContact O-N 3.45Å; V123-L164 HydrophobicContact CG1-CB 3.71Å; V123-L164 HydrophobicContact CG1-CD1 3.67Å; V123-L164 HydrophobicContact CG1-CG 4.31Å; V123-L164 WeakPolarHBondContact O-CB 3.36Å; V123-L164 PolarHBondContact O-N 2.62Å; V123-L164 VanDerWaalsContact O-N 3.08Å
124T95.3Very high95.5Very high19 Ų1927.4 Ų27.412%0.11717%0.165CC..Hα-helixtrans-93.6-11.9177.962.10000114.4F73 S120 G121 T126 Y165F73-T124 HydrophobicContact CD2-CG2 4.2Å; S120-T124 WeakPolarHBondContact O-CG2 3.29Å; S120-T124 PolarHBondContact O-N 2.86Å; S120-T124 PolarHBondContact O-OG1 2.83Å; G121-T124 CarbonylContact O-C 3.2Å; G121-T124 PolarHBondContact O-N 3.04Å; G121-T124 PolarHBondContact O-OG1 2.93Å; T124-T126 VanDerWaalsContact C-N 3.25Å; T124-T126 PolarHBondContact O-N 3.26Å; T124-T126 PolarHBondContact OG1-N 3.37Å; T124-T126 PolarHBondContact OG1-OG1 3.45Å; T124-Y165 HydrophobicContact CG2-CE2 3.89Å
125H95Very high95.3Very high41 Ų4132.4 Ų32.419%0.1919%0.186CC..THydrogen-bonded Turntrans58.825.5-167.7-69.3-178.8000114.9G121 A122 Q158 Q161 S163G121-H125 VanDerWaalsContact O-CA 3.32Å; G121-H125 WeakPolarHBondContact O-CA 3.42Å; G121-H125 PolarHBondContact O-N 3.16Å; A122-H125 PolarHBondContact O-CD2 3.39Å; A122-H125 VanDerWaalsContact O-CD2 3.29Å; H125-Q158 HydrophobicContact CB-CG 4.4Å; H125-Q158 PolarHBondContact NE2-N 3.15Å; H125-Q161 PolarHBondContact CE1-O 3.39Å; H125-Q161 PolarHBondContact NE2-O 2.72Å; H125-S163 PolarHBondContact CE1-N 2.74Å
126T95.6Very high95Very high54 Ų5437.2 Ų37.233%0.33121%0.209SC..  trans-120.6140.9-177.863.30000113.7G121 T124 S128 T129 N154G121-T126 WeakPolarHBondContact CA-O 3.42Å; G121-T126 PolarHBondContact O-N 3.08Å; T124-T126 VanDerWaalsContact C-N 3.25Å; T124-T126 PolarHBondContact O-N 3.26Å; T124-T126 PolarHBondContact OG1-N 3.37Å; T124-T126 PolarHBondContact OG1-OG1 3.45Å; T126-S128 PolarHBondContact OG1-OG 3.22Å; T126-T129 PolarHBondContact O-OG1 3.45Å; T126-N154 PolarHBondContact O-ND2 3.39Å
127V95.3Very high94.6Very high57 Ų5739.3 Ų39.335%0.34522%0.222SC..SBendtrans-82.8-20.4174.9-176.30000111.7T129 A130 M147 V150 I151V127-T129 PolarHBondContact O-N 3.14Å; V127-A130 WeakPolarHBondContact O-CB 3.35Å; V127-A130 PolarHBondContact O-N 3.43Å; V127-M147 HydrophobicContact CG1-CE 3.6Å; V127-M147 HydrophobicContact CG1-SD 4.02Å; V127-V150 HydrophobicContact CB-CG1 4.49Å; V127-V150 HydrophobicContact CG1-CG1 4.31Å; V127-I151 HydrophobicContact CG1-CG1 4.31Å; V127-I151 HydrophobicContact CG2-CG1 4.23Å
128S96.1Very high94.2Very high64 Ų6442.4 Ų42.445%0.44825%0.254SS..Hα-helixtrans-58.7-17.617652.90000114.3T126 A130 V131 I132T126-S128 PolarHBondContact OG1-OG 3.22Å; S128-A130 PolarHBondContact O-N 2.94Å; S128-V131 WeakPolarHBondContact O-CB 3.31Å; S128-V131 PolarHBondContact O-N 3.13Å; S128-V131 VanDerWaalsContact O-N 3.1Å; S128-I132 WeakPolarHBondContact O-CG1 3.26Å; S128-I132 PolarHBondContact O-N 2.97Å
129T95Very high93.6Very high2 Ų247.9 Ų47.91%0.01228%0.277CS..Hα-helixtrans-58.9-32.4170.153.30000113.1F73 G121 T126 V127 V133F73-T129 HydrophobicContact CE2-CG2 3.93Å; G121-T129 WeakPolarHBondContact CA-OG1 3.28Å; T126-T129 PolarHBondContact O-OG1 3.45Å; V127-T129 PolarHBondContact O-N 3.14Å; T129-V133 WeakPolarHBondContact O-CG2 3.35Å; T129-V133 PolarHBondContact O-N 3.32Å
130A94.8Very high93.2Very high0 Ų050.8 Ų50.80%029%0.292CS..Hα-helixtrans-65.8-43.4171.700000111.7V127 S128 V133 F134 V146 M147 V150V127-A130 WeakPolarHBondContact O-CB 3.35Å; V127-A130 PolarHBondContact O-N 3.43Å; S128-A130 PolarHBondContact O-N 2.94Å; A130-V133 WeakPolarHBondContact O-CB 3.42Å; A130-V133 PolarHBondContact O-N 3.15Å; A130-V133 VanDerWaalsContact O-N 3.11Å; A130-F134 HydrophobicContact CB-CE2 3.9Å; A130-F134 HydrophobicContact CB-CZ 4.14Å; A130-F134 WeakPolarHBondContact O-CD2 3.22Å; A130-F134 VanDerWaalsContact O-CE2 3.24Å; A130-F134 WeakPolarHBondContact O-CE2 3.4Å; A130-F134 WeakPolarHBondContact O-CG 3.42Å; A130-F134 PolarHBondContact O-N 3.33Å; A130-V146 HydrophobicContact CB-CG1 4.15Å; A130-M147 HydrophobicContact CB-CG 4.46Å; A130-M147 HydrophobicContact CB-SD 3.45Å; A130-M147 WeakPolarHBondContact CB-SD 3.35Å; A130-V150 HydrophobicContact CB-CG2 4.13Å
131V94.4Very high92.6Very high69 Ų6955.3 Ų55.342%0.41832%0.323SS..Hα-helixtrans-63.2-48.6-179.5-174.90000110.6S128 V133 F134 E135S128-V131 WeakPolarHBondContact O-CB 3.31Å; S128-V131 PolarHBondContact O-N 3.13Å; S128-V131 VanDerWaalsContact O-N 3.1Å; V131-V133 PolarHBondContact O-N 3.2Å; V131-F134 PolarHBondContact O-N 3.26Å; V131-E135 WeakPolarHBondContact O-CG 3.48Å; V131-E135 PolarHBondContact O-N 3.3Å
132I94.2Very high92.1Very high63 Ų6360.5 Ų60.532%0.32335%0.347SS..Hα-helixtrans-54.5-36.9173.6-66.4165000111S128 L136S128-I132 WeakPolarHBondContact O-CG1 3.26Å; S128-I132 PolarHBondContact O-N 2.97Å; I132-L136 HydrophobicContact CG2-CD1 3.83Å; I132-L136 HydrophobicContact CG2-CG 4.38Å; I132-L136 WeakPolarHBondContact O-CB 3.44Å; I132-L136 WeakPolarHBondContact O-CG 3.39Å; I132-L136 PolarHBondContact O-N 3.38Å
133V93Very high91.8Very high0 Ų063.5 Ų63.50%036%0.36CS..Hα-helixtrans-69.2-41.4178168.90000112.1F77 V113 A117 T129 A130 V131 L136 T137F77-V133 HydrophobicContact CE2-CG2 3.39Å; F77-V133 HydrophobicContact CZ-CG2 3.61Å; V113-V133 HydrophobicContact CG1-CG1 3.4Å; A117-V133 HydrophobicContact CB-CB 4.28Å; A117-V133 HydrophobicContact CB-CG1 4.36Å; A117-V133 HydrophobicContact CB-CG2 3.78Å; T129-V133 WeakPolarHBondContact O-CG2 3.35Å; T129-V133 PolarHBondContact O-N 3.32Å; A130-V133 WeakPolarHBondContact O-CB 3.42Å; A130-V133 PolarHBondContact O-N 3.15Å; A130-V133 VanDerWaalsContact O-N 3.11Å; V131-V133 PolarHBondContact O-N 3.2Å; V133-L136 PolarHBondContact O-N 2.8Å; V133-T137 WeakPolarHBondContact O-CG2 3.49Å; V133-T137 PolarHBondContact O-N 2.71Å; V133-T137 PolarHBondContact O-OG1 2.97Å
134F90.8Very high91.7Very high16 Ų1667.1 Ų67.17%0.0738%0.377CS..Hα-helixtrans-68.5-36176-50.7-49.3000112.5A130 V131 T137 G138 I140 I143 V146 M147A130-F134 HydrophobicContact CB-CE2 3.9Å; A130-F134 HydrophobicContact CB-CZ 4.14Å; A130-F134 WeakPolarHBondContact O-CD2 3.22Å; A130-F134 VanDerWaalsContact O-CE2 3.24Å; A130-F134 WeakPolarHBondContact O-CE2 3.4Å; A130-F134 WeakPolarHBondContact O-CG 3.42Å; A130-F134 PolarHBondContact O-N 3.33Å; V131-F134 PolarHBondContact O-N 3.26Å; F134-T137 PolarHBondContact O-OG1 3.04Å; F134-G138 WeakPolarHBondContact O-CA 3.48Å; F134-G138 PolarHBondContact O-N 2.96Å; F134-I140 HydrophobicContact CB-CG2 4.46Å; F134-I143 HydrophobicContact CD2-CD1 4.19Å; F134-I143 HydrophobicContact CD2-CG1 4.26Å; F134-I143 HydrophobicContact CE1-CB 4.29Å; F134-I143 HydrophobicContact CE1-CG1 4.47Å; F134-I143 HydrophobicContact CE2-CB 4.31Å; F134-I143 HydrophobicContact CE2-CD1 3.98Å; F134-I143 HydrophobicContact CE2-CG1 3.63Å; F134-I143 HydrophobicContact CZ-CB 4.05Å; F134-I143 HydrophobicContact CZ-CG1 3.76Å; F134-V146 HydrophobicContact CE1-CB 3.7Å; F134-V146 HydrophobicContact CE1-CG1 3.69Å; F134-V146 HydrophobicContact CE1-CG2 3.98Å; F134-V146 HydrophobicContact CZ-CB 3.67Å; F134-V146 HydrophobicContact CZ-CG1 3.54Å; F134-V146 HydrophobicContact CZ-CG2 4.46Å; F134-M147 HydrophobicContact CE2-CG 4.24Å; F134-M147 HydrophobicContact CE2-SD 4.3Å; F134-M147 HydrophobicContact CZ-CG 4.26Å
135E93.2Very high91.5Very high144 Ų14469.6 Ų69.667%0.67339%0.394SS*.Hα-helixtrans-63.7-41.8172.9-70.5172.6177.800111.3V131V131-E135 WeakPolarHBondContact O-CG 3.48Å; V131-E135 PolarHBondContact O-N 3.3Å
136L89.5Confident91.5Very high110 Ų11067.7 Ų67.758%0.57639%0.385SS*.Hα-helixtrans-73-29.1177.9-73.2172.3000114.2F77 I132 V133F77-L136 HydrophobicContact CE1-CD1 4.47Å; F77-L136 HydrophobicContact CZ-CD1 4.18Å; I132-L136 HydrophobicContact CG2-CD1 3.83Å; I132-L136 HydrophobicContact CG2-CG 4.38Å; I132-L136 WeakPolarHBondContact O-CB 3.44Å; I132-L136 WeakPolarHBondContact O-CG 3.39Å; I132-L136 PolarHBondContact O-N 3.38Å; V133-L136 PolarHBondContact O-N 2.8Å
137T88.8Confident91.5Very high44 Ų4467.8 Ų67.827%0.2738%0.382SS..Hα-helixtrans-89.6-17.4175.860.20000113.6V113 V133 F134 Q139V113-T137 HydrophobicContact CG1-CG2 3.96Å; V113-T137 HydrophobicContact CG2-CG2 3.79Å; V133-T137 WeakPolarHBondContact O-CG2 3.49Å; V133-T137 PolarHBondContact O-N 2.71Å; V133-T137 PolarHBondContact O-OG1 2.97Å; F134-T137 PolarHBondContact O-OG1 3.04Å; T137-Q139 PolarHBondContact O-N 2.8Å; T137-Q139 PolarHBondContact OG1-N 2.92Å
138G87.4Confident91.5Very high66 Ų6669.2 Ų69.268%0.6839%0.387SS*.THydrogen-bonded Turntrans64.912.6-174.500000114.4F134F134-G138 WeakPolarHBondContact O-CA 3.48Å; F134-G138 PolarHBondContact O-N 2.96Å
139Q84.5Confident91.6Very high130 Ų13067.4 Ų67.461%0.60738%0.376SS*.  trans-135.3111.7-172.6-66.3-171.28.100112.5T137T137-Q139 PolarHBondContact O-N 2.8Å; T137-Q139 PolarHBondContact OG1-N 2.92Å
140I88.8Confident91.7Very high126 Ų12667.3 Ų67.365%0.64638%0.375SS*.  trans-84.9-2.2179.962.4172.8000114.4F134 H142 I143F134-I140 HydrophobicContact CB-CG2 4.46Å; I140-H142 PolarHBondContact O-N 3.42Å; I140-I143 VanDerWaalsContact O-CB 3.29Å; I140-I143 WeakPolarHBondContact O-CB 3.25Å; I140-I143 VanDerWaalsContact O-CG2 3.24Å; I140-I143 WeakPolarHBondContact O-CG2 3.4Å; I140-I143 PolarHBondContact O-N 3.11Å
141S84.5Confident91.8Very high95 Ų9571.6 Ų71.666%0.66440%0.397SS*.THydrogen-bonded Turntrans-54.2-31.5-173.8-171.80000114.2
142H85.3Confident91.9Very high110 Ų11073.6 Ų73.651%0.50941%0.405SS..THydrogen-bonded Turntrans-107.224.7-178.3-57.8-37.2000113.7I140 L144 P145 V146I140-H142 PolarHBondContact O-N 3.42Å; H142-L144 PolarHBondContact O-N 3.25Å; H142-P145 WeakPolarHBondContact O-CD 3.5Å; H142-V146 VanDerWaalsContact O-CG2 3.31Å; H142-V146 WeakPolarHBondContact O-CG2 3.33Å; H142-V146 PolarHBondContact O-N 3.46Å
143I91.2Very high92.1Very high80 Ų8071.9 Ų71.941%0.4140%0.401SS..Hα-helixtrans-56.1-49.6-176.6-175.7158.1000113.7F134 I140 V146 M147F134-I143 HydrophobicContact CD2-CD1 4.19Å; F134-I143 HydrophobicContact CD2-CG1 4.26Å; F134-I143 HydrophobicContact CE1-CB 4.29Å; F134-I143 HydrophobicContact CE1-CG1 4.47Å; F134-I143 HydrophobicContact CE2-CB 4.31Å; F134-I143 HydrophobicContact CE2-CD1 3.98Å; F134-I143 HydrophobicContact CE2-CG1 3.63Å; F134-I143 HydrophobicContact CZ-CB 4.05Å; F134-I143 HydrophobicContact CZ-CG1 3.76Å; I140-I143 VanDerWaalsContact O-CB 3.29Å; I140-I143 WeakPolarHBondContact O-CB 3.25Å; I140-I143 VanDerWaalsContact O-CG2 3.24Å; I140-I143 WeakPolarHBondContact O-CG2 3.4Å; I140-I143 PolarHBondContact O-N 3.11Å; I143-V146 PolarHBondContact O-N 3.14Å; I143-M147 HydrophobicContact CG1-CG 4.02Å; I143-M147 WeakPolarHBondContact O-CB 3.42Å; I143-M147 WeakPolarHBondContact O-CG 3.33Å; I143-M147 PolarHBondContact O-N 3.47Å
144L92.9Very high92.2Very high119 Ų11972.2 Ų72.262%0.62340%0.402SS*.Hα-helixtrans-65.2-48.9-173.7177.6154.4000112.8H142 V146 M147 I148H142-L144 PolarHBondContact O-N 3.25Å; L144-V146 PolarHBondContact O-N 3.46Å; L144-M147 PolarHBondContact O-N 2.97Å; L144-I148 HydrophobicContact CD2-CD1 3.61Å; L144-I148 HydrophobicContact CG-CD1 4.11Å; L144-I148 WeakPolarHBondContact O-CG1 3.27Å; L144-I148 PolarHBondContact O-N 2.92Å
145P91.9Very high92.4Very high72 Ų7274 Ų7447%0.46842%0.42SS..Hα-helixtrans-60.9-41.4175.1-26.835.7000114.1H142 I148 A149H142-P145 WeakPolarHBondContact O-CD 3.5Å; P145-I148 PolarHBondContact O-N 3.09Å; P145-A149 WeakPolarHBondContact O-CB 3.42Å; P145-A149 PolarHBondContact O-N 3.41Å
146V94.4Very high92.5Very high1 Ų171.3 Ų71.31%0.00641%0.413CS..Hα-helixtrans-64.2-46178171.20000110.8V114 A117 A130 F134 H142 I143 L144 I148 A149 V150V114-V146 HydrophobicContact CB-CG2 4.37Å; V114-V146 HydrophobicContact CG2-CG2 3.52Å; A117-V146 HydrophobicContact CB-CG1 3.69Å; A130-V146 HydrophobicContact CB-CG1 4.15Å; F134-V146 HydrophobicContact CE1-CB 3.7Å; F134-V146 HydrophobicContact CE1-CG1 3.69Å; F134-V146 HydrophobicContact CE1-CG2 3.98Å; F134-V146 HydrophobicContact CZ-CB 3.67Å; F134-V146 HydrophobicContact CZ-CG1 3.54Å; F134-V146 HydrophobicContact CZ-CG2 4.46Å; H142-V146 VanDerWaalsContact O-CG2 3.31Å; H142-V146 WeakPolarHBondContact O-CG2 3.33Å; H142-V146 PolarHBondContact O-N 3.46Å; I143-V146 PolarHBondContact O-N 3.14Å; L144-V146 PolarHBondContact O-N 3.46Å; V146-I148 PolarHBondContact O-N 2.73Å; V146-A149 PolarHBondContact O-N 3.05Å; V146-V150 HydrophobicContact CG1-CG2 4.43Å; V146-V150 WeakPolarHBondContact O-CG2 3.5Å; V146-V150 PolarHBondContact O-N 3.43Å
147M95.1Very high92.8Very high56 Ų5667 Ų6728%0.27639%0.393SS..Hα-helixtrans-60.5-44.3177.9-75-68.9-69.100112.2V127 A130 F134 I143 L144 V150 I151V127-M147 HydrophobicContact CG1-CE 3.6Å; V127-M147 HydrophobicContact CG1-SD 4.02Å; A130-M147 HydrophobicContact CB-CG 4.46Å; A130-M147 HydrophobicContact CB-SD 3.45Å; A130-M147 WeakPolarHBondContact CB-SD 3.35Å; F134-M147 HydrophobicContact CE2-CG 4.24Å; F134-M147 HydrophobicContact CE2-SD 4.3Å; F134-M147 HydrophobicContact CZ-CG 4.26Å; I143-M147 HydrophobicContact CG1-CG 4.02Å; I143-M147 WeakPolarHBondContact O-CB 3.42Å; I143-M147 WeakPolarHBondContact O-CG 3.33Å; I143-M147 PolarHBondContact O-N 3.47Å; L144-M147 PolarHBondContact O-N 2.97Å; M147-V150 PolarHBondContact O-N 2.91Å; M147-I151 WeakPolarHBondContact O-CB 3.26Å; M147-I151 WeakPolarHBondContact O-CD1 3.39Å; M147-I151 VanDerWaalsContact O-CG1 3.26Å; M147-I151 WeakPolarHBondContact O-CG1 3.41Å; M147-I151 PolarHBondContact O-N 3.37Å
148I96.4Very high92.9Very high86 Ų8670.4 Ų70.444%0.44141%0.406SS..Hα-helixtrans-62.7-45176.7-68.3170.4000110.8L144 P145 V146 V150 I151 L152L144-I148 HydrophobicContact CD2-CD1 3.61Å; L144-I148 HydrophobicContact CG-CD1 4.11Å; L144-I148 WeakPolarHBondContact O-CG1 3.27Å; L144-I148 PolarHBondContact O-N 2.92Å; P145-I148 PolarHBondContact O-N 3.09Å; V146-I148 PolarHBondContact O-N 2.73Å; I148-V150 PolarHBondContact O-N 3.13Å; I148-I151 PolarHBondContact O-N 3.08Å; I148-L152 HydrophobicContact CG2-CD1 3.84Å; I148-L152 HydrophobicContact CG2-CG 4.39Å; I148-L152 WeakPolarHBondContact O-CB 3.44Å; I148-L152 WeakPolarHBondContact O-CG 3.37Å; I148-L152 PolarHBondContact O-N 2.97Å
149A96.6Very high93Very high27 Ų2771.3 Ų71.322%0.22341%0.407CS..Hα-helixtrans-61.4-42.3178.100000112.3V114 A118 P145 V146 A153V114-A149 HydrophobicContact CG1-CB 3.7Å; A118-A149 HydrophobicContact CB-CB 4.37Å; P145-A149 WeakPolarHBondContact O-CB 3.42Å; P145-A149 PolarHBondContact O-N 3.41Å; V146-A149 PolarHBondContact O-N 3.05Å; A149-A153 VanDerWaalsContact O-CB 3.26Å; A149-A153 WeakPolarHBondContact O-CB 3.46Å; A149-A153 PolarHBondContact O-N 3.06Å
150V97.3Very high93.3Very high0 Ų071 Ų710%041%0.409CS..Hα-helixtrans-65.5-45.4176.4170.50000111.5A117 A118 V127 A130 V146 M147 I148 L152 A153 N154A117-V150 HydrophobicContact CB-CG2 3.59Å; A118-V150 HydrophobicContact CB-CG2 4.44Å; V127-V150 HydrophobicContact CB-CG1 4.49Å; V127-V150 HydrophobicContact CG1-CG1 4.31Å; A130-V150 HydrophobicContact CB-CG2 4.13Å; V146-V150 HydrophobicContact CG1-CG2 4.43Å; V146-V150 WeakPolarHBondContact O-CG2 3.5Å; V146-V150 PolarHBondContact O-N 3.43Å; M147-V150 PolarHBondContact O-N 2.91Å; I148-V150 PolarHBondContact O-N 3.13Å; V150-L152 PolarHBondContact O-N 3.32Å; V150-A153 PolarHBondContact O-N 2.8Å; V150-N154 VanDerWaalsContact O-CB 3.32Å; V150-N154 WeakPolarHBondContact O-CB 3.35Å; V150-N154 PolarHBondContact O-N 2.88Å; V150-N154 PolarHBondContact O-OD1 2.85Å; V150-N154 VanDerWaalsContact O-OD1 3.11Å
151I97.1Very high93.3Very high89 Ų8971.5 Ų71.546%0.45641%0.408SS..Hα-helixtrans-62.7-43.7179.1-69.8164.9000111.2V127 M147 I148 N154 A155V127-I151 HydrophobicContact CG1-CG1 4.31Å; V127-I151 HydrophobicContact CG2-CG1 4.23Å; M147-I151 WeakPolarHBondContact O-CB 3.26Å; M147-I151 WeakPolarHBondContact O-CD1 3.39Å; M147-I151 VanDerWaalsContact O-CG1 3.26Å; M147-I151 WeakPolarHBondContact O-CG1 3.41Å; M147-I151 PolarHBondContact O-N 3.37Å; I148-I151 PolarHBondContact O-N 3.08Å; I151-N154 PolarHBondContact O-N 3.22Å; I151-A155 WeakPolarHBondContact O-CB 3.26Å; I151-A155 PolarHBondContact O-N 2.83Å
152L97.3Very high93.5Very high111 Ų11169.3 Ų69.358%0.58139%0.392SS*.Hα-helixtrans-64.6-43.5176.5-70.7172.4000112.1I148 V150 A155 V156I148-L152 HydrophobicContact CG2-CD1 3.84Å; I148-L152 HydrophobicContact CG2-CG 4.39Å; I148-L152 WeakPolarHBondContact O-CB 3.44Å; I148-L152 WeakPolarHBondContact O-CG 3.37Å; I148-L152 PolarHBondContact O-N 2.97Å; V150-L152 PolarHBondContact O-N 3.32Å; L152-A155 PolarHBondContact O-N 3.14Å; L152-V156 WeakPolarHBondContact O-CG2 3.36Å; L152-V156 PolarHBondContact O-N 3Å
153A97.1Very high93.9Very high28 Ų2864.4 Ų64.423%0.23137%0.37CS..Hα-helixtrans-65.2-39.417800000111.9A118 A122 A149 V150 V156 A157A118-A153 HydrophobicContact CB-CB 4.12Å; A122-A153 HydrophobicContact CB-CB 3.99Å; A149-A153 VanDerWaalsContact O-CB 3.26Å; A149-A153 WeakPolarHBondContact O-CB 3.46Å; A149-A153 PolarHBondContact O-N 3.06Å; V150-A153 PolarHBondContact O-N 2.8Å; A153-V156 PolarHBondContact O-N 3.46Å; A153-A157 WeakPolarHBondContact O-CB 3.22Å; A153-A157 PolarHBondContact O-N 2.56Å
154N95.7Very high93.9Very high6 Ų662.6 Ų62.63%0.03236%0.361CS..Hα-helixtrans-63.7-44.8174.6-69.24.4000111.8G121 A122 T126 V150 I151 V156 A157 Q158G121-N154 WeakPolarHBondContact CA-OD1 3.32Å; G121-N154 PolarHBondContact O-OD1 3.35Å; G121-N154 VanDerWaalsContact O-OD1 3.06Å; A122-N154 PolarHBondContact N-OD1 3.02Å; T126-N154 PolarHBondContact O-ND2 3.39Å; V150-N154 VanDerWaalsContact O-CB 3.32Å; V150-N154 WeakPolarHBondContact O-CB 3.35Å; V150-N154 PolarHBondContact O-N 2.88Å; V150-N154 PolarHBondContact O-OD1 2.85Å; V150-N154 VanDerWaalsContact O-OD1 3.11Å; I151-N154 PolarHBondContact O-N 3.22Å; N154-V156 PolarHBondContact O-N 3.16Å; N154-A157 PolarHBondContact O-N 3.1Å; N154-Q158 WeakPolarHBondContact O-CB 3.42Å; N154-Q158 VanDerWaalsContact O-CG 3.27Å; N154-Q158 WeakPolarHBondContact O-CG 3.48Å; N154-Q158 PolarHBondContact O-N 3.12Å
155A94.9Very high93.9Very high53 Ų5362 Ų6244%0.43835%0.352SS..Hα-helixtrans-63-41178.600000112.2I151 L152 A159I151-A155 WeakPolarHBondContact O-CB 3.26Å; I151-A155 PolarHBondContact O-N 2.83Å; L152-A155 PolarHBondContact O-N 3.14Å; A155-A159 WeakPolarHBondContact O-CB 3.32Å; A155-A159 PolarHBondContact O-N 2.98Å
156V96.5Very high93.8Very high89 Ų8961.6 Ų61.654%0.53935%0.345SS..Hα-helixtrans-67.5-40175.2172.60000111.5L152 A153 N154 L160L152-V156 WeakPolarHBondContact O-CG2 3.36Å; L152-V156 PolarHBondContact O-N 3Å; A153-V156 PolarHBondContact O-N 3.46Å; N154-V156 PolarHBondContact O-N 3.16Å; V156-L160 HydrophobicContact CG1-CD1 3.87Å; V156-L160 VanDerWaalsContact O-CG 3.3Å; V156-L160 WeakPolarHBondContact O-CG 3.34Å; V156-L160 PolarHBondContact O-N 3.03Å
157A94.6Very high93.6Very high18 Ų1862.8 Ų62.815%0.14935%0.353CS..Hα-helixtrans-63.6-51.8176.700000111.9A122 A153 N154 A159 L160 Q161A122-A157 HydrophobicContact CB-CB 4.01Å; A122-A157 WeakPolarHBondContact O-CB 3.15Å; A153-A157 WeakPolarHBondContact O-CB 3.22Å; A153-A157 PolarHBondContact O-N 2.56Å; N154-A157 PolarHBondContact O-N 3.1Å; A157-A159 PolarHBondContact O-N 2.99Å; A157-L160 PolarHBondContact O-N 3.05Å; A157-Q161 PolarHBondContact O-N 3.05Å; A157-Q161 VanDerWaalsContact O-O 3.04Å
158Q90.4Very high93.3Very high116 Ų11662.7 Ų62.754%0.54235%0.354SS..Hα-helixtrans-58.7-32.4179.4-72.8173.5-1.200113H125 N154 L160H125-Q158 HydrophobicContact CB-CG 4.4Å; H125-Q158 PolarHBondContact NE2-N 3.15Å; N154-Q158 WeakPolarHBondContact O-CB 3.42Å; N154-Q158 VanDerWaalsContact O-CG 3.27Å; N154-Q158 WeakPolarHBondContact O-CG 3.48Å; N154-Q158 PolarHBondContact O-N 3.12Å; Q158-L160 VanDerWaalsContact C-N 3.33Å
159A90.1Very high93Very high85 Ų8561 Ų6170%0.70235%0.345SS*.Hα-helixtrans-73.8-19.9175.500000114A155 A157A155-A159 WeakPolarHBondContact O-CB 3.32Å; A155-A159 PolarHBondContact O-N 2.98Å; A157-A159 PolarHBondContact O-N 2.99Å
160L90.5Very high92.4Very high125 Ų12566.1 Ų66.165%0.65436%0.359SS*.Hα-helixtrans-112.8-38-171.3-68.2176.6000114.2V156 A157 Q158V156-L160 HydrophobicContact CG1-CD1 3.87Å; V156-L160 VanDerWaalsContact O-CG 3.3Å; V156-L160 WeakPolarHBondContact O-CG 3.34Å; V156-L160 PolarHBondContact O-N 3.03Å; A157-L160 PolarHBondContact O-N 3.05Å; Q158-L160 VanDerWaalsContact C-N 3.33Å
161Q89.9Confident91.9Very high135 Ų13572.3 Ų72.363%0.63139%0.39SS*.  trans-145.6156.2-174.9-70.6-63.2-73.300111.4H125 A157H125-Q161 PolarHBondContact CE1-O 3.39Å; H125-Q161 PolarHBondContact NE2-O 2.72Å; A157-Q161 PolarHBondContact O-N 3.05Å; A157-Q161 VanDerWaalsContact O-O 3.04Å
162P89.1Confident91.3Very high49 Ų4974.9 Ų74.932%0.31840%0.398SS..  trans-74.5162.4164.331.8-32.2000111D166 R170P162-D166 HydrophobicContact CB-CB 4.33Å; P162-R170 VanDerWaalsContact CG-NH2 3.33Å
163S92.8Very high90.5Very high8 Ų877.3 Ų77.36%0.05640%0.404CS..  trans-63.2164.1-177.180.70000112.5H125 Y165 D166 S167H125-S163 PolarHBondContact CE1-N 2.74Å; S163-Y165 PolarHBondContact O-N 3.17Å; S163-Y165 PolarHBondContact OG-N 3.1Å; S163-D166 VanDerWaalsContact CB-OD2 3.25Å; S163-D166 WeakPolarHBondContact CB-OD2 3.43Å; S163-D166 PolarHBondContact N-OD2 3.34Å; S163-D166 PolarHBondContact O-N 3.11Å; S163-D166 PolarHBondContact OG-N 3.16Å; S163-D166 VanDerWaalsContact OG-N 3.1Å; S163-D166 PolarHBondContact OG-OD2 3.35Å; S163-S167 VanDerWaalsContact O-CB 3.28Å; S163-S167 WeakPolarHBondContact O-CB 3.28Å; S163-S167 PolarHBondContact O-N 3.49Å; S163-S167 PolarHBondContact O-OG 3.36Å
164L92.2Very high89.8Confident42 Ų4280.1 Ų80.122%0.2242%0.415CS..Hα-helixtrans-57.5-38.8173176.9143.1000112A72 V123 I168A72-L164 HydrophobicContact CB-CD1 4Å; A72-L164 HydrophobicContact CB-CD2 3.84Å; V123-L164 HydrophobicContact CG1-CB 3.71Å; V123-L164 HydrophobicContact CG1-CD1 3.67Å; V123-L164 HydrophobicContact CG1-CG 4.31Å; V123-L164 WeakPolarHBondContact O-CB 3.36Å; V123-L164 PolarHBondContact O-N 2.62Å; V123-L164 VanDerWaalsContact O-N 3.08Å; L164-I168 HydrophobicContact CD2-CD1 3.61Å; L164-I168 HydrophobicContact CG-CD1 4.18Å; L164-I168 VanDerWaalsContact O-CG1 3.28Å; L164-I168 WeakPolarHBondContact O-CG1 3.43Å; L164-I168 PolarHBondContact O-N 2.98Å
165Y92Very high88.8Confident107 Ų10785.7 Ų85.742%0.4245%0.451SS..Hα-helixtrans-75-42.8-178.1-64-67000112.3T124 S163 S167 I168 I169T124-Y165 HydrophobicContact CG2-CE2 3.89Å; S163-Y165 PolarHBondContact O-N 3.17Å; S163-Y165 PolarHBondContact OG-N 3.1Å; Y165-S167 VanDerWaalsContact C-N 3.25Å; Y165-S167 PolarHBondContact O-N 2.93Å; Y165-I168 PolarHBondContact O-N 2.84Å; Y165-I168 VanDerWaalsContact O-N 3.13Å; Y165-I169 WeakPolarHBondContact O-CG1 3.37Å; Y165-I169 PolarHBondContact O-N 3.32Å
166D89.8Confident88Confident63 Ų6387.9 Ų87.934%0.33745%0.449SS..Hα-helixtrans-60.1-40173.9-55.8-44.8000111.1P162 S163 I169 R170P162-D166 HydrophobicContact CB-CB 4.33Å; S163-D166 VanDerWaalsContact CB-OD2 3.25Å; S163-D166 WeakPolarHBondContact CB-OD2 3.43Å; S163-D166 PolarHBondContact N-OD2 3.34Å; S163-D166 PolarHBondContact O-N 3.11Å; S163-D166 PolarHBondContact OG-N 3.16Å; S163-D166 VanDerWaalsContact OG-N 3.1Å; S163-D166 PolarHBondContact OG-OD2 3.35Å; D166-I169 PolarHBondContact O-N 2.89Å; D166-R170 VanDerWaalsContact O-CB 3.22Å; D166-R170 WeakPolarHBondContact O-CB 3.41Å; D166-R170 PolarHBondContact O-N 3.19Å
167S89.8Confident87.1Confident25 Ų2584.7 Ų84.718%0.17543%0.429CS..Hα-helixtrans-61.6-44.4175.3-66.80000111.7S163 Y165 R170 I171S163-S167 VanDerWaalsContact O-CB 3.28Å; S163-S167 WeakPolarHBondContact O-CB 3.28Å; S163-S167 PolarHBondContact O-N 3.49Å; S163-S167 PolarHBondContact O-OG 3.36Å; Y165-S167 VanDerWaalsContact C-N 3.25Å; Y165-S167 PolarHBondContact O-N 2.93Å; S167-R170 PolarHBondContact O-N 2.77Å; S167-I171 WeakPolarHBondContact O-CB 3.4Å; S167-I171 WeakPolarHBondContact O-CD1 3.44Å; S167-I171 WeakPolarHBondContact O-CG1 3.48Å; S167-I171 PolarHBondContact O-N 3.13Å
168I89.8Confident86Confident55 Ų5586.2 Ų86.228%0.28244%0.437SS..Hα-helixtrans-64.6-44.2175.5-70.2165.2000111.4L164 Y165 R170 I171 K172L164-I168 HydrophobicContact CD2-CD1 3.61Å; L164-I168 HydrophobicContact CG-CD1 4.18Å; L164-I168 VanDerWaalsContact O-CG1 3.28Å; L164-I168 WeakPolarHBondContact O-CG1 3.43Å; L164-I168 PolarHBondContact O-N 2.98Å; Y165-I168 PolarHBondContact O-N 2.84Å; Y165-I168 VanDerWaalsContact O-N 3.13Å; I168-R170 PolarHBondContact O-N 3.44Å; I168-I171 PolarHBondContact O-N 2.92Å; I168-K172 HydrophobicContact CG2-CD 3.98Å; I168-K172 HydrophobicContact CG2-CG 4.45Å; I168-K172 WeakPolarHBondContact O-CB 3.28Å; I168-K172 WeakPolarHBondContact O-CG 3.48Å; I168-K172 PolarHBondContact O-N 2.76Å
169I89.2Confident85.1Confident51 Ų5188.4 Ų88.426%0.26245%0.447SS..Hα-helixtrans-58.8-47.6177.5-71.5165.3000110.4Y165 D166 K172 K173 L174 Y176Y165-I169 WeakPolarHBondContact O-CG1 3.37Å; Y165-I169 PolarHBondContact O-N 3.32Å; D166-I169 PolarHBondContact O-N 2.89Å; I169-K172 CarbonylContact O-C 3.5Å; I169-K172 PolarHBondContact O-N 3.26Å; I169-K173 PolarHBondContact O-N 2.96Å; I169-L174 HydrophobicContact CG2-CB 4.4Å; I169-L174 PolarHBondContact O-N 3.32Å; I169-Y176 HydrophobicContact CG2-CD1 4.11Å; I169-Y176 HydrophobicContact CG2-CG 4.26Å
170R83.5Confident84Confident134 Ų13485.1 Ų85.151%0.50642%0.418SS..Hα-helixtrans-65-41.7178.1-176.4174.360.1-178.3-2.2112.6P162 D166 S167 I168 K173P162-R170 VanDerWaalsContact CG-NH2 3.33Å; D166-R170 VanDerWaalsContact O-CB 3.22Å; D166-R170 WeakPolarHBondContact O-CB 3.41Å; D166-R170 PolarHBondContact O-N 3.19Å; S167-R170 PolarHBondContact O-N 2.77Å; I168-R170 PolarHBondContact O-N 3.44Å; R170-K173 PolarHBondContact O-N 2.89Å
171I86.9Confident82.6Confident130 Ų13081.2 Ų81.267%0.66741%0.408SS*.Hα-helixtrans-65.5-42.9176-71.3162.2000111S167 I168 K173S167-I171 WeakPolarHBondContact O-CB 3.4Å; S167-I171 WeakPolarHBondContact O-CD1 3.44Å; S167-I171 WeakPolarHBondContact O-CG1 3.48Å; S167-I171 PolarHBondContact O-N 3.13Å; I168-I171 PolarHBondContact O-N 2.92Å; I171-K173 PolarHBondContact O-N 2.88Å
172K85.8Confident80.7Confident143 Ų14382.5 Ų82.562%0.62242%0.416SS*.THydrogen-bonded Turntrans-74.4-4174.3-69.1-177.6177.1-179.10113.7I168 I169 L174I168-K172 HydrophobicContact CG2-CD 3.98Å; I168-K172 HydrophobicContact CG2-CG 4.45Å; I168-K172 WeakPolarHBondContact O-CB 3.28Å; I168-K172 WeakPolarHBondContact O-CG 3.48Å; I168-K172 PolarHBondContact O-N 2.76Å; I169-K172 CarbonylContact O-C 3.5Å; I169-K172 PolarHBondContact O-N 3.26Å; K172-L174 HydrophobicContact CB-CD1 4.2Å; K172-L174 HydrophobicContact CB-CD2 4.23Å; K172-L174 HydrophobicContact CB-CG 3.77Å; K172-L174 HydrophobicContact CD-CD1 4.46Å; K172-L174 PolarHBondContact O-N 3.23Å; K172-L174 VanDerWaalsContact O-N 3.1Å
173K80.9Confident78.9Confident161 Ų16183 Ų8370%0.743%0.43SS*.THydrogen-bonded Turntrans53.523.2-179.1-58.1-177.1179.3-179.90115I169 R170 I171 R462I169-K173 PolarHBondContact O-N 2.96Å; R170-K173 PolarHBondContact O-N 2.89Å; I171-K173 PolarHBondContact O-N 2.88Å; K173-R462 PolarHBondContact O-NH1 3.31Å; K173-R462 PolarHBondContact O-NH2 3.03Å
174L81.3Confident77Confident87 Ų8786.6 Ų86.646%0.45545%0.446SS..  trans-58.6150.3-173.1-62.5177.2000111.8I169 K172 Y176 R462I169-L174 HydrophobicContact CG2-CB 4.4Å; I169-L174 PolarHBondContact O-N 3.32Å; K172-L174 HydrophobicContact CB-CD1 4.2Å; K172-L174 HydrophobicContact CB-CD2 4.23Å; K172-L174 HydrophobicContact CB-CG 3.77Å; K172-L174 HydrophobicContact CD-CD1 4.46Å; K172-L174 PolarHBondContact O-N 3.23Å; K172-L174 VanDerWaalsContact O-N 3.1Å; L174-Y176 PolarHBondContact O-N 3.49Å; L174-R462 PolarHBondContact O-NH1 3.42Å
175P74.7Confident75.1Confident123 Ų12389.4 Ų89.480%0.79946%0.457SS*.SBendtrans-73.272.6177.832.5-36.1000111.8
176Y78.4Confident73.2Confident99 Ų9993.8 Ų93.839%0.38848%0.482SS..  trans-105.7150.2166173.7-113.8000109.2I169 L174I169-Y176 HydrophobicContact CG2-CD1 4.11Å; I169-Y176 HydrophobicContact CG2-CG 4.26Å; L174-Y176 PolarHBondContact O-N 3.49Å
177L77.6Confident71.4Confident23 Ų2396.2 Ų96.212%0.1249%0.489CS..  trans-100.4107.8177.5-173.167.3000107.5F436 L458 L461 I465L177-F436 HydrophobicContact CD2-CB 4.3Å; L177-L458 HydrophobicContact CD2-CD2 4.02Å; L177-L461 HydrophobicContact CD1-CD2 4.1Å; L177-L461 HydrophobicContact CD1-CG 4.04Å; L177-L461 HydrophobicContact CD2-CD2 4.03Å; L177-I465 HydrophobicContact CD1-CD1 3.69Å
178P71.9Confident69.9Low50 Ų5096.1 Ų96.133%0.32549%0.485SS..  trans-74132.6-171.129.9-34.6000111.3L180 H433 I465P178-L180 PolarHBondContact O-N 3.14Å; P178-H433 PolarHBondContact O-NE2 3.1Å; P178-I465 HydrophobicContact CG-CG2 3.97Å
179E70.4Confident68.9Low161 Ų16199.3 Ų99.375%0.75250%0.503SS*.  trans-58.1123.3-178.1-68.9179.2-170.800112.4G181E179-G181 PolarHBondContact O-N 3.25Å; E179-G181 VanDerWaalsContact O-N 3.15Å
180L68.1Low68.6Low16 Ų1699 Ų998%0.08450%0.502CS..  trans-75.3100.6174.2-62.4179.9000109.8P178 M182 Y188 H430 H433 I465P178-L180 PolarHBondContact O-N 3.14Å; L180-M182 PolarHBondContact O-N 2.75Å; L180-Y188 HydrophobicContact CD2-CE2 4.41Å; L180-H430 HydrophobicContact CD1-CB 4.11Å; L180-H433 HydrophobicContact CD1-CB 3.57Å; L180-H433 HydrophobicContact CG-CB 4.38Å; L180-I465 HydrophobicContact CD2-CD1 4.41Å; L180-I465 HydrophobicContact CD2-CG1 4.35Å; L180-I465 HydrophobicContact CD2-CG2 3.95Å
181G59.7Low68.8Low44 Ų4496.6 Ų96.645%0.45449%0.492SS..  trans-56.6125179.900000113.5E179 G183 H184E179-G181 PolarHBondContact O-N 3.25Å; E179-G181 VanDerWaalsContact O-N 3.15Å; G181-G183 PolarHBondContact O-N 2.83Å; G181-G183 VanDerWaalsContact O-N 3.1Å; G181-H184 PolarHBondContact O-N 3.45Å; G181-H184 VanDerWaalsContact O-N 3.1Å
182M50.3Low69Low162 Ų16290.4 Ų90.480%0.79846%0.461SS*.THydrogen-bonded Turntrans-54.9111.8177.6-61.2-69.9-85.200109.9L180L180-M182 PolarHBondContact O-N 2.75Å
183G51.6Low69.2Low59 Ų5986.4 Ų86.461%0.60844%0.444SS*.THydrogen-bonded Turntrans124.8-10.6-170.800000115.3G181 H185G181-G183 PolarHBondContact O-N 2.83Å; G181-G183 VanDerWaalsContact O-N 3.1Å; G183-H185 VanDerWaalsContact C-N 3.3Å; G183-H185 PolarHBondContact N-CD2 2.94Å; G183-H185 PolarHBondContact N-NE2 3.15Å; G183-H185 PolarHBondContact O-N 2.89Å
184H54.1Low69.6Low84 Ų8483.7 Ų83.739%0.38944%0.437SS..  trans-86.610.2172.3-83.355.4000114.5G181 E186 K187 Y188G181-H184 PolarHBondContact O-N 3.45Å; G181-H184 VanDerWaalsContact O-N 3.1Å; H184-E186 VanDerWaalsContact C-N 3.3Å; H184-E186 PolarHBondContact O-N 2.88Å; H184-E186 VanDerWaalsContact O-N 3.15Å; H184-K187 PolarHBondContact CD2-NZ 3.01Å; H184-K187 VanDerWaalsContact CD2-NZ 3.32Å; H184-K187 PolarHBondContact NE2-NZ 3.39Å; H184-K187 PolarHBondContact O-N 2.83Å; H184-Y188 HydrophobicContact CB-CE2 3.73Å; H184-Y188 VanDerWaalsContact O-CD2 3.29Å; H184-Y188 WeakPolarHBondContact O-CD2 3.34Å; H184-Y188 WeakPolarHBondContact O-CE2 3.42Å
185H51.1Low70Confident100 Ų10080.5 Ų80.546%0.46342%0.421SS..G310 helixtrans-55.7-35.4-169.3-59.6-72.2000115G183 K187 H430G183-H185 VanDerWaalsContact C-N 3.3Å; G183-H185 PolarHBondContact N-CD2 2.94Å; G183-H185 PolarHBondContact N-NE2 3.15Å; G183-H185 PolarHBondContact O-N 2.89Å; H185-K187 PolarHBondContact O-N 3.2Å; H185-H430 AromaticContact CE1-CD2 3.61Å; H185-H430 AromaticContact CE1-NE2 3.27Å; H185-H430 PolarHBondContact CE1-NE2 3.01Å; H185-H430 VanDerWaalsContact CE1-NE2 3.27Å; H185-H430 AromaticContact ND1-CD2 3.57Å; H185-H430 AromaticContact ND1-NE2 3.75Å
186E51.6Low70.8Confident200 Ų20075.4 Ų75.494%0.93539%0.386SS*.G310 helixtrans-68.8-15.6-179.8-61.3-173.7142.100114H184H184-E186 VanDerWaalsContact C-N 3.3Å; H184-E186 PolarHBondContact O-N 2.88Å; H184-E186 VanDerWaalsContact O-N 3.15Å
187K53.3Low71.5Confident113 Ų11373.6 Ų73.649%0.49139%0.385SS..G310 helixtrans-88.41.3-176.8-59.9-179.5-171171.10114H184 H185H184-K187 PolarHBondContact CD2-NZ 3.01Å; H184-K187 VanDerWaalsContact CD2-NZ 3.32Å; H184-K187 PolarHBondContact NE2-NZ 3.39Å; H184-K187 PolarHBondContact O-N 2.83Å; H185-K187 PolarHBondContact O-N 3.2Å
188Y57.7Low72.1Confident24 Ų2480 Ų809%0.09441%0.408CS..  trans-128.559.9-169-55.8-61.8000114.6L180 H184 I190 L429L180-Y188 HydrophobicContact CD2-CE2 4.41Å; H184-Y188 HydrophobicContact CB-CE2 3.73Å; H184-Y188 VanDerWaalsContact O-CD2 3.29Å; H184-Y188 WeakPolarHBondContact O-CD2 3.34Å; H184-Y188 WeakPolarHBondContact O-CE2 3.42Å; Y188-I190 PolarHBondContact O-N 2.82Å; Y188-I190 VanDerWaalsContact O-N 3.08Å; Y188-L429 HydrophobicContact CD1-CD2 3.93Å; Y188-L429 HydrophobicContact CE1-CD2 4.3Å
189N69.1Low72.9Confident122 Ų12284 Ų8465%0.65243%0.426SS*.  trans-80.143.3158.4-166.735.3000111.4R191N189-R191 PolarHBondContact OD1-NE 2.73Å; N189-R191 PolarHBondContact OD1-NH2 2.77Å
190I81.9Confident73.7Confident45 Ų4577.1 Ų77.123%0.23140%0.396CS..  trans-107130.3172.8-62.6172.8000106.8Y188 D194 I195 L429Y188-I190 PolarHBondContact O-N 2.82Å; Y188-I190 VanDerWaalsContact O-N 3.08Å; I190-D194 HydrophobicContact CG2-CB 4.14Å; I190-I195 HydrophobicContact CG2-CG2 3.78Å; I190-L429 HydrophobicContact CB-CB 4.29Å; I190-L429 HydrophobicContact CB-CD2 4.45Å; I190-L429 HydrophobicContact CD1-CD2 4.46Å; I190-L429 HydrophobicContact CG2-CB 4.41Å; I190-L429 HydrophobicContact CG2-CD2 4.46Å; I190-L429 PolarHBondContact O-N 2.94Å
191R89Confident74.7Confident83 Ų8380.1 Ų80.131%0.31341%0.406SS..BIsolated β-bridgetrans-112.6167-173-70161.6-165.6-91.1-14.6110.6N189 E193 D194 T427N189-R191 PolarHBondContact OD1-NE 2.73Å; N189-R191 PolarHBondContact OD1-NH2 2.77Å; R191-E193 HydrophobicContact CB-CG 3.87Å; R191-E193 WeakPolarHBondContact CD-OE1 3.39Å; R191-E193 PolarHBondContact O-N 3.3Å; R191-D194 PolarHBondContact N-OD2 3.35Å; R191-D194 PolarHBondContact O-N 2.84Å; R191-T427 CarbonylContact C-O 3.38Å; R191-T427 WeakPolarHBondContact CA-O 3.22Å
192V90.9Very high76.1Confident0 Ų080.3 Ų80.30%039%0.394CS..Hα-helixtrans-58.8-35.7175.2162.40000111.1D194 I195 M196 L423 E425 T427 T432 V446 V456V192-D194 PolarHBondContact O-N 2.75Å; V192-I195 WeakPolarHBondContact O-CG1 3.25Å; V192-I195 PolarHBondContact O-N 3.48Å; V192-I195 VanDerWaalsContact O-N 3.17Å; V192-M196 WeakPolarHBondContact O-CB 3.39Å; V192-M196 WeakPolarHBondContact O-CG 3.44Å; V192-M196 PolarHBondContact O-N 2.76Å; V192-L423 HydrophobicContact CG1-CB 4.48Å; V192-L423 HydrophobicContact CG2-CD1 4.17Å; V192-E425 WeakPolarHBondContact CB-O 3.39Å; V192-E425 PolarHBondContact N-O 2.94Å; V192-T427 PolarHBondContact N-O 3.48Å; V192-T432 HydrophobicContact CG2-CG2 4.24Å; V192-T432 WeakPolarHBondContact CG2-OG1 3.27Å; V192-V446 HydrophobicContact CG1-CB 4.12Å; V192-V446 HydrophobicContact CG1-CG1 3.54Å; V192-V446 HydrophobicContact CG1-CG2 3.39Å; V192-V456 HydrophobicContact CG1-CG2 3.99Å
193E90.6Very high78.1Confident58 Ų5872.9 Ų72.927%0.27136%0.358SS..Hα-helixtrans-61.2-24.4176.971.8-163.8143.500115.6R191 M196 E425 Q426R191-E193 HydrophobicContact CB-CG 3.87Å; R191-E193 WeakPolarHBondContact CD-OE1 3.39Å; R191-E193 PolarHBondContact O-N 3.3Å; E193-M196 HydrophobicContact CB-CE 4.24Å; E193-E425 HydrophobicContact CB-CB 4.27Å; E193-E425 PolarHBondContact N-O 3.27Å; E193-Q426 PolarHBondContact OE1-NE2 2.92Å; E193-Q426 PolarHBondContact OE2-NE2 3.5Å
194D88.3Confident80.1Confident105 Ų10571 Ų7156%0.56133%0.334SS*.Hα-helixtrans-82.7-25.8177.9-59.5-53.6000112.8I190 R191 V192I190-D194 HydrophobicContact CG2-CB 4.14Å; R191-D194 PolarHBondContact N-OD2 3.35Å; R191-D194 PolarHBondContact O-N 2.84Å; V192-D194 PolarHBondContact O-N 2.75Å
195I89.9Confident81.7Confident20 Ų2070.3 Ų70.310%0.10333%0.333CS..Hα-helixtrans-110.1-17.6-169.767.4169.8000113.3I190 V192 L429 V456 L461 A464I190-I195 HydrophobicContact CG2-CG2 3.78Å; V192-I195 WeakPolarHBondContact O-CG1 3.25Å; V192-I195 PolarHBondContact O-N 3.48Å; V192-I195 VanDerWaalsContact O-N 3.17Å; I195-L429 HydrophobicContact CD1-CD1 3.94Å; I195-V456 HydrophobicContact CD1-CG1 4.05Å; I195-V456 HydrophobicContact CD1-CG2 4.22Å; I195-V456 HydrophobicContact CG1-CG2 4.08Å; I195-L461 HydrophobicContact CD1-CD1 4.27Å; I195-A464 HydrophobicContact CB-CB 4.27Å; I195-A464 HydrophobicContact CG2-CB 3.48Å; I195-A464 VanDerWaalsContact CG2-CB 3.48Å
196M92.2Very high83.5Confident15 Ų1570.5 Ų70.57%0.07434%0.338CS..  trans-72.6140.2-175.467.6-179-176.900113.2V192 E193 R198 E425 V446 V453 V455 V456V192-M196 WeakPolarHBondContact O-CB 3.39Å; V192-M196 WeakPolarHBondContact O-CG 3.44Å; V192-M196 PolarHBondContact O-N 2.76Å; E193-M196 HydrophobicContact CB-CE 4.24Å; M196-R198 HydrophobicContact CE-CG 4.19Å; M196-R198 HydrophobicContact CG-CG 4.4Å; M196-R198 PolarHBondContact O-N 3.21Å; M196-E425 HydrophobicContact CE-CG 4.44Å; M196-V446 HydrophobicContact CB-CG2 3.93Å; M196-V446 HydrophobicContact SD-CB 3.84Å; M196-V446 HydrophobicContact SD-CG1 3.62Å; M196-V446 HydrophobicContact SD-CG2 4.03Å; M196-V453 HydrophobicContact CE-CB 4.46Å; M196-V453 HydrophobicContact CE-CG1 3.81Å; M196-V455 WeakPolarHBondContact CA-O 3.18Å; M196-V456 HydrophobicContact CB-CG2 3.89Å
197V92.1Very high85.4Confident62 Ų6261.6 Ų61.638%0.37630%0.298SS..BIsolated β-bridgetrans-80.3115.5168179.40000108.3D199 G454 V455 E460V197-D199 HydrophobicContact CG1-CB 4.14Å; V197-G454 CarbonylContact O-C 3.59Å; V197-G454 WeakPolarHBondContact O-CA 3.35Å; V197-V455 PolarHBondContact N-O 2.92Å; V197-V455 PolarHBondContact O-N 3.03Å; V197-E460 HydrophobicContact CG2-CG 3.86Å
198R90.8Very high87.2Confident157 Ų15757 Ų5759%0.59228%0.279SS*.SBendtrans-80.8-17.2177.7-60.4-176.7-173.9-126-1.7113.5M196 V200M196-R198 HydrophobicContact CE-CG 4.19Å; M196-R198 HydrophobicContact CG-CG 4.4Å; M196-R198 PolarHBondContact O-N 3.21Å; R198-V200 VanDerWaalsContact C-N 3.32Å; R198-V200 PolarHBondContact O-N 3.39Å
199D88.6Confident88.8Confident133 Ų13356 Ų5671%0.71128%0.275SS*.  trans-7881.1170-179.229.5000109.8V197V197-D199 HydrophobicContact CG1-CB 4.14Å
200V87.1Confident89.9Confident18 Ų1853.9 Ų53.911%0.10926%0.258CS..  trans-96.1125.9-177.6-171.10000110.9R198 F202 L452 G454 V455R198-V200 VanDerWaalsContact C-N 3.32Å; R198-V200 PolarHBondContact O-N 3.39Å; V200-F202 VanDerWaalsContact O-CD1 3.29Å; V200-F202 WeakPolarHBondContact O-CD1 3.36Å; V200-F202 PolarHBondContact O-N 3.17Å; V200-L452 HydrophobicContact CB-CD2 4.39Å; V200-L452 HydrophobicContact CG1-CD1 4.31Å; V200-L452 HydrophobicContact CG1-CD2 3.82Å; V200-L452 HydrophobicContact CG1-CG 4.25Å; V200-G454 VanDerWaalsContact CG2-C 3.46Å; V200-G454 VanDerWaalsContact CG2-CA 3.46Å; V200-V455 HydrophobicContact CB-CG2 4.48Å; V200-V455 HydrophobicContact CG1-CG2 3.66Å; V200-V455 HydrophobicContact CG2-CG2 4.02Å
201R88.1Confident90.4Very high79 Ų7955.1 Ų55.130%0.29827%0.265SS..  trans-75.2108169.2-70.3-76.9-178.4157.30.5109.9M215 L221 L224R201-M215 HydrophobicContact CB-CE 3.72Å; R201-M215 VanDerWaalsContact CD-SD 3.57Å; R201-M215 HydrophobicContact CG-CE 4.28Å; R201-M215 PolarHBondContact NH1-SD 2.92Å; R201-L221 HydrophobicContact CB-CD1 4.13Å; R201-L224 HydrophobicContact CB-CD2 3.98Å
202F90.9Very high90.4Very high48 Ų4851.2 Ų51.221%0.21125%0.251CS..EExtended strand (participates in β ladder)trans-121.5161.5176.163.1-96000112.1V200 T204 M215 A225 V227 R230 M233 L452V200-F202 VanDerWaalsContact O-CD1 3.29Å; V200-F202 WeakPolarHBondContact O-CD1 3.36Å; V200-F202 PolarHBondContact O-N 3.17Å; F202-T204 HydrophobicContact CD2-CG2 4.17Å; F202-T204 HydrophobicContact CE2-CG2 4.02Å; F202-M215 WeakPolarHBondContact O-CE 3.35Å; F202-A225 CarbonylContact C-O 3.49Å; F202-A225 WeakPolarHBondContact CA-O 3.37Å; F202-A225 HydrophobicContact CB-CB 4.12Å; F202-V227 HydrophobicContact CB-CG1 4.13Å; F202-V227 HydrophobicContact CB-CG2 4.19Å; F202-V227 HydrophobicContact CD2-CG2 3.48Å; F202-V227 VanDerWaalsContact CD2-CG2 3.48Å; F202-V227 HydrophobicContact CE2-CG2 4.15Å; F202-V227 HydrophobicContact CG-CG2 4.03Å; F202-R230 HydrophobicContact CE2-CG 4.36Å; F202-R230 HydrophobicContact CZ-CG 4.16Å; F202-M233 HydrophobicContact CD1-CE 3.81Å; F202-M233 HydrophobicContact CD1-SD 4.13Å; F202-M233 HydrophobicContact CE1-CE 3.65Å; F202-M233 HydrophobicContact CE1-SD 3.74Å; F202-M233 HydrophobicContact CE2-SD 4.22Å; F202-M233 HydrophobicContact CZ-CE 4.32Å; F202-M233 HydrophobicContact CZ-SD 3.78Å; F202-L452 HydrophobicContact CB-CD2 4.18Å
203I92Very high90.4Very high5 Ų554.3 Ų54.33%0.02627%0.265CS..EExtended strand (participates in β ladder)trans-120.9144.1172.8-64.9161.4000107.4L212 L224 A225 L226 V227 L244 F411I203-L212 HydrophobicContact CD1-CD1 3.66Å; I203-L212 HydrophobicContact CG1-CD1 4.35Å; I203-L224 HydrophobicContact CD1-CB 3.95Å; I203-L224 HydrophobicContact CD1-CD1 4.23Å; I203-L224 HydrophobicContact CD1-CD2 4.47Å; I203-L224 HydrophobicContact CD1-CG 4.44Å; I203-A225 PolarHBondContact N-O 3.49Å; I203-L226 HydrophobicContact CG2-CD1 4.42Å; I203-V227 PolarHBondContact O-N 3.33Å; I203-L244 HydrophobicContact CD1-CD1 3.42Å; I203-L244 VanDerWaalsContact CD1-CD1 3.42Å; I203-L244 HydrophobicContact CD1-CD2 4.35Å; I203-F411 HydrophobicContact CG2-CE1 4.32Å; I203-F411 HydrophobicContact CG2-CZ 3.84Å
204T92.3Very high90.4Very high19 Ų1957.5 Ų57.512%0.11728%0.28CS..EExtended strand (participates in β ladder)trans-101.4158.3176.475.50000111.6F202 N206 S207 V227F202-T204 HydrophobicContact CD2-CG2 4.17Å; F202-T204 HydrophobicContact CE2-CG2 4.02Å; T204-N206 PolarHBondContact O-N 2.81Å; T204-N206 PolarHBondContact OG1-N 3.22Å; T204-S207 PolarHBondContact N-OG 3.22Å; T204-S207 WeakPolarHBondContact O-CB 3.28Å; T204-S207 PolarHBondContact O-N 2.57Å; T204-S207 PolarHBondContact OG1-N 3.19Å; T204-S207 VanDerWaalsContact OG1-N 3.12Å; T204-S207 PolarHBondContact OG1-OG 3.49Å; T204-V227 WeakPolarHBondContact CA-O 3.33Å; T204-V227 HydrophobicContact CG2-CG2 4.04Å
205L88.7Confident90.3Very high70 Ų7053.9 Ų53.937%0.36626%0.26SS..THydrogen-bonded Turntrans-59.4-24.2171.5-72.4177.2000113.3L226 V227 E228 L236 F411L205-L226 HydrophobicContact CD2-CD1 4.25Å; L205-L226 HydrophobicContact CD2-CD2 4.08Å; L205-L226 HydrophobicContact CD2-CG 4.47Å; L205-V227 PolarHBondContact N-O 2.77Å; L205-E228 PolarHBondContact N-O 3.43Å; L205-L236 HydrophobicContact CD1-CD1 3.52Å; L205-L236 HydrophobicContact CD2-CD1 4.28Å; L205-L236 HydrophobicContact CG-CD1 3.83Å; L205-F411 HydrophobicContact CD2-CD2 4.35Å
206N89.4Confident90.2Very high105 Ų10553.4 Ų53.456%0.56126%0.258SS*.THydrogen-bonded Turntrans-105.919.6-178.2-60.7-21.4000112.5T204 L408T204-N206 PolarHBondContact O-N 2.81Å; T204-N206 PolarHBondContact OG1-N 3.22Å; N206-L408 WeakPolarHBondContact O-CD2 3.3Å
207S89.9Confident90Very high13 Ų1358.8 Ų58.89%0.09129%0.286CS..  trans-75.5150.4176.9-79.60000112.2T204 D211 V409T204-S207 PolarHBondContact N-OG 3.22Å; T204-S207 WeakPolarHBondContact O-CB 3.28Å; T204-S207 PolarHBondContact O-N 2.57Å; T204-S207 PolarHBondContact OG1-N 3.19Å; T204-S207 VanDerWaalsContact OG1-N 3.12Å; T204-S207 PolarHBondContact OG1-OG 3.49Å; S207-D211 VanDerWaalsContact CA-OD2 3.26Å; S207-D211 WeakPolarHBondContact CA-OD2 3.32Å; S207-D211 VanDerWaalsContact CB-OD2 3.3Å; S207-D211 WeakPolarHBondContact CB-OD2 3.46Å; S207-D211 PolarHBondContact OG-OD2 3.32Å; S207-V409 WeakPolarHBondContact O-CG2 3.32Å; S207-V409 PolarHBondContact O-N 2.96Å
208S92.6Very high89.7Confident15 Ų1559.6 Ų59.611%0.10529%0.291CS..BIsolated β-bridgetrans-82.4163174.969.80000112.2R210 D211 L212 Q407S208-R210 PolarHBondContact O-N 2.89Å; S208-R210 WeakPolarHBondContact OG-CB 3.16Å; S208-R210 PolarHBondContact OG-N 3.31Å; S208-D211 PolarHBondContact N-OD2 3.37Å; S208-D211 PolarHBondContact O-N 2.87Å; S208-D211 PolarHBondContact OG-N 2.9Å; S208-D211 PolarHBondContact OG-OD1 3.48Å; S208-D211 PolarHBondContact OG-OD2 3.13Å; S208-L212 PolarHBondContact O-N 3.06Å; S208-L212 VanDerWaalsContact O-N 3.15Å; S208-Q407 CarbonylContact C-O 3.55Å; S208-Q407 WeakPolarHBondContact CA-O 3.46Å
209Y91.5Very high89Confident3 Ų352.6 Ų52.61%0.01227%0.268CS..Hα-helixtrans-65.2-24.6168.5-77.1-74.7000112.3L212 Q213 L247 L248 Q251 L405 Q407 L408 V409 D410Y209-L212 HydrophobicContact CD1-CD2 4.13Å; Y209-L212 HydrophobicContact CE1-CD2 4.41Å; Y209-L212 WeakPolarHBondContact O-CB 3.32Å; Y209-L212 PolarHBondContact O-N 3.35Å; Y209-Q213 WeakPolarHBondContact O-CB 3.35Å; Y209-Q213 PolarHBondContact O-N 3.38Å; Y209-L247 HydrophobicContact CE1-CB 4.39Å; Y209-L248 HydrophobicContact CD1-CD1 4.06Å; Y209-Q251 HydrophobicContact CD1-CG 4.03Å; Y209-Q251 HydrophobicContact CD2-CG 4Å; Y209-Q251 HydrophobicContact CE1-CG 3.59Å; Y209-Q251 HydrophobicContact CE2-CG 3.55Å; Y209-Q251 VanDerWaalsContact CE2-NE2 3.34Å; Y209-Q251 HydrophobicContact CG-CG 4.24Å; Y209-Q251 VanDerWaalsContact CZ-NE2 3.28Å; Y209-Q251 PolarHBondContact OH-NE2 3.41Å; Y209-L405 CarbonylContact C-O 3.59Å; Y209-L405 WeakPolarHBondContact CA-O 3.4Å; Y209-L405 WeakPolarHBondContact CB-O 3.37Å; Y209-L405 PolarHBondContact N-O 2.91Å; Y209-L405 VanDerWaalsContact N-O 3.09Å; Y209-Q407 HydrophobicContact CD2-CB 4.32Å; Y209-Q407 WeakPolarHBondContact CD2-O 3.33Å; Y209-Q407 PolarHBondContact N-O 3.01Å; Y209-L408 WeakPolarHBondContact CE2-O 3.44Å; Y209-V409 HydrophobicContact CD1-CG2 3.84Å; Y209-V409 HydrophobicContact CD2-CG2 4.21Å; Y209-V409 HydrophobicContact CE1-CB 4.26Å; Y209-V409 HydrophobicContact CE1-CG1 3.97Å; Y209-V409 HydrophobicContact CE1-CG2 3.86Å; Y209-V409 HydrophobicContact CE2-CB 4.37Å; Y209-V409 HydrophobicContact CE2-CG2 4.23Å; Y209-V409 HydrophobicContact CG-CG2 4Å; Y209-D410 PolarHBondContact OH-N 3.15Å; Y209-D410 VanDerWaalsContact OH-N 3.11Å
210R92Very high88.6Confident79 Ų7954.4 Ų54.430%0.29827%0.272SS..Hα-helixtrans-65.2-48.9171.2-161.6-175.7-65.7-86.913.6111.7S208 L212 Q213 E214 D402 L405 D406S208-R210 PolarHBondContact O-N 2.89Å; S208-R210 WeakPolarHBondContact OG-CB 3.16Å; S208-R210 PolarHBondContact OG-N 3.31Å; R210-L212 PolarHBondContact O-N 2.89Å; R210-Q213 PolarHBondContact O-N 3.18Å; R210-Q213 VanDerWaalsContact O-N 3.17Å; R210-E214 PolarHBondContact O-N 2.97Å; R210-D402 IonicContact CZ-OD1 3.78Å; R210-D402 IonicContact CZ-OD2 2.8Å; R210-D402 IonicContact NH1-OD1 2.7Å; R210-D402 PolarHBondContact NH1-OD1 3.1Å; R210-D402 IonicContact NH1-OD2 3.69Å; R210-D402 IonicContact NH2-OD1 3.94Å; R210-D402 PolarHBondContact NH2-OD1 3.44Å; R210-D402 IonicContact NH2-OD2 3.32Å; R210-D402 PolarHBondContact NH2-OD2 3.17Å; R210-L405 HydrophobicContact CB-CB 4.09Å; R210-L405 PolarHBondContact N-O 3.36Å; R210-D406 IonicContact CZ-OD1 3.97Å; R210-D406 VanDerWaalsContact CZ-OD1 3.32Å; R210-D406 IonicContact CZ-OD2 3.67Å; R210-D406 IonicContact NE-OD1 3.17Å; R210-D406 PolarHBondContact NE-OD1 2.85Å; R210-D406 IonicContact NE-OD2 3.74Å; R210-D406 IonicContact NH2-OD1 3.91Å; R210-D406 PolarHBondContact NH2-OD1 2.91Å; R210-D406 VanDerWaalsContact NH2-OD1 3.1Å; R210-D406 IonicContact NH2-OD2 2.75Å; R210-D406 PolarHBondContact NH2-OD2 3.46Å
211D90.5Very high88.2Confident70 Ų7058 Ų5837%0.37429%0.29SS..Hα-helixtrans-55.8-43.3173.6-54.8-18.3000110.1S207 S208 E214 M215S207-D211 VanDerWaalsContact CA-OD2 3.26Å; S207-D211 WeakPolarHBondContact CA-OD2 3.32Å; S207-D211 VanDerWaalsContact CB-OD2 3.3Å; S207-D211 WeakPolarHBondContact CB-OD2 3.46Å; S207-D211 PolarHBondContact OG-OD2 3.32Å; S208-D211 PolarHBondContact N-OD2 3.37Å; S208-D211 PolarHBondContact O-N 2.87Å; S208-D211 PolarHBondContact OG-N 2.9Å; S208-D211 PolarHBondContact OG-OD1 3.48Å; S208-D211 PolarHBondContact OG-OD2 3.13Å; D211-E214 PolarHBondContact O-N 3.35Å; D211-M215 VanDerWaalsContact O-CB 3.3Å; D211-M215 WeakPolarHBondContact O-CB 3.32Å; D211-M215 WeakPolarHBondContact O-CG 3.46Å; D211-M215 PolarHBondContact O-N 2.99Å
212L90.1Very high88Confident2 Ų263 Ų631%0.0131%0.314CS..Hα-helixtrans-65.1-42-179.3-167.770.2000111.6I203 S208 Y209 R210 M215 L216 L244 V409I203-L212 HydrophobicContact CD1-CD1 3.66Å; I203-L212 HydrophobicContact CG1-CD1 4.35Å; S208-L212 PolarHBondContact O-N 3.06Å; S208-L212 VanDerWaalsContact O-N 3.15Å; Y209-L212 HydrophobicContact CD1-CD2 4.13Å; Y209-L212 HydrophobicContact CE1-CD2 4.41Å; Y209-L212 WeakPolarHBondContact O-CB 3.32Å; Y209-L212 PolarHBondContact O-N 3.35Å; R210-L212 PolarHBondContact O-N 2.89Å; L212-M215 PolarHBondContact O-N 2.95Å; L212-L216 HydrophobicContact CG-CD1 4.17Å; L212-L216 WeakPolarHBondContact O-CB 3.42Å; L212-L216 WeakPolarHBondContact O-CG 3.34Å; L212-L216 PolarHBondContact O-N 3.06Å; L212-L244 HydrophobicContact CD1-CB 4.12Å; L212-L244 HydrophobicContact CD1-CD1 4.13Å; L212-L244 HydrophobicContact CD1-CD2 3.9Å; L212-L244 HydrophobicContact CD1-CG 4.26Å; L212-L244 HydrophobicContact CD2-CB 4.37Å; L212-V409 HydrophobicContact CB-CG2 4.49Å; L212-V409 HydrophobicContact CD2-CG2 4.33Å
213Q90.3Very high87.8Confident64 Ų6462 Ų6230%0.29931%0.312SS..Hα-helixtrans-63.5-46.5175.9-170.8-173.946.700111.4Y209 R210 M215 L216 L217 L248 L405Y209-Q213 WeakPolarHBondContact O-CB 3.35Å; Y209-Q213 PolarHBondContact O-N 3.38Å; R210-Q213 PolarHBondContact O-N 3.18Å; R210-Q213 VanDerWaalsContact O-N 3.17Å; Q213-M215 PolarHBondContact O-N 3.48Å; Q213-L216 PolarHBondContact O-N 3.38Å; Q213-L217 HydrophobicContact CG-CD1 4.07Å; Q213-L217 WeakPolarHBondContact O-CB 3.42Å; Q213-L217 VanDerWaalsContact O-CG 3.29Å; Q213-L217 WeakPolarHBondContact O-CG 3.49Å; Q213-L217 PolarHBondContact O-N 3.1Å; Q213-L248 HydrophobicContact CB-CD1 4.46Å; Q213-L248 HydrophobicContact CB-CD2 4.05Å; Q213-L248 HydrophobicContact CG-CD2 4.12Å; Q213-L405 HydrophobicContact CB-CD2 4.25Å
214E90.2Very high87.7Confident126 Ų12662 Ų6259%0.58931%0.312SS*.Hα-helixtrans-61.5-43176.8-171.1-173.2163.800111.9R210 D211 L216 L217 T218R210-E214 PolarHBondContact O-N 2.97Å; D211-E214 PolarHBondContact O-N 3.35Å; E214-L216 VanDerWaalsContact C-N 3.34Å; E214-L216 PolarHBondContact O-N 2.88Å; E214-L217 PolarHBondContact O-N 3.48Å; E214-T218 WeakPolarHBondContact O-CB 3.41Å; E214-T218 PolarHBondContact O-N 3.29Å; E214-T218 PolarHBondContact O-OG1 2.97Å
215M87.4Confident87.7Confident28 Ų2861.2 Ų61.214%0.13831%0.307CS..Hα-helixtrans-65.7-35.3177.2-74.7-73.8-74.500112.7R201 F202 D211 L212 Q213 G219 L224R201-M215 HydrophobicContact CB-CE 3.72Å; R201-M215 VanDerWaalsContact CD-SD 3.57Å; R201-M215 HydrophobicContact CG-CE 4.28Å; R201-M215 PolarHBondContact NH1-SD 2.92Å; F202-M215 WeakPolarHBondContact O-CE 3.35Å; D211-M215 VanDerWaalsContact O-CB 3.3Å; D211-M215 WeakPolarHBondContact O-CB 3.32Å; D211-M215 WeakPolarHBondContact O-CG 3.46Å; D211-M215 PolarHBondContact O-N 2.99Å; L212-M215 PolarHBondContact O-N 2.95Å; Q213-M215 PolarHBondContact O-N 3.48Å; M215-G219 WeakPolarHBondContact O-CA 3.26Å; M215-G219 PolarHBondContact O-N 3.48Å; M215-L224 HydrophobicContact CE-CD2 3.85Å
216L88Confident87.9Confident11 Ų1158 Ų586%0.05829%0.29CS..Hα-helixtrans-72-37.4172.9-73.9171000112.2L212 Q213 E214 R241 L244 Q245 L248L212-L216 HydrophobicContact CG-CD1 4.17Å; L212-L216 WeakPolarHBondContact O-CB 3.42Å; L212-L216 WeakPolarHBondContact O-CG 3.34Å; L212-L216 PolarHBondContact O-N 3.06Å; Q213-L216 PolarHBondContact O-N 3.38Å; E214-L216 VanDerWaalsContact C-N 3.34Å; E214-L216 PolarHBondContact O-N 2.88Å; L216-R241 HydrophobicContact CD2-CG 3.54Å; L216-R241 PolarHBondContact O-NH1 3.08Å; L216-R241 PolarHBondContact O-NH2 3.29Å; L216-L244 HydrophobicContact CD1-CB 4.44Å; L216-L244 HydrophobicContact CD2-CB 4.41Å; L216-Q245 HydrophobicContact CD1-CG 3.86Å; L216-Q245 HydrophobicContact CD2-CG 3.76Å; L216-Q245 HydrophobicContact CG-CG 4.4Å; L216-L248 HydrophobicContact CD1-CD2 4.03Å
217L87.8Confident88.1Confident128 Ų12853 Ų5367%0.6726%0.264SS*.Hα-helixtrans-68.9-44177.2-74.7167.8000112.3Q213 E214Q213-L217 HydrophobicContact CG-CD1 4.07Å; Q213-L217 WeakPolarHBondContact O-CB 3.42Å; Q213-L217 VanDerWaalsContact O-CG 3.29Å; Q213-L217 WeakPolarHBondContact O-CG 3.49Å; Q213-L217 PolarHBondContact O-N 3.1Å; E214-L217 PolarHBondContact O-N 3.48Å
218T85.4Confident88.2Confident78 Ų7856.2 Ų56.248%0.47928%0.277SS..Hα-helixtrans-89.7-19.7-173.3-33.70000113E214E214-T218 WeakPolarHBondContact O-CB 3.41Å; E214-T218 PolarHBondContact O-N 3.29Å; E214-T218 PolarHBondContact O-OG1 2.97Å
219G76.3Confident88.1Confident10 Ų1057.6 Ų57.610%0.10329%0.286CS..  trans-98.3150.8179.800000113.8M215 R241M215-G219 WeakPolarHBondContact O-CA 3.26Å; M215-G219 PolarHBondContact O-N 3.48Å; G219-R241 PolarHBondContact O-NH1 3.08Å; G219-R241 PolarHBondContact O-NH2 3.25Å
220H79.6Confident88Confident172 Ų17266.6 Ų66.680%0.79632%0.32SS*.  trans-124.915.1170-63-34000113.4
221L78.6Confident88Confident92 Ų9269.8 Ų69.848%0.48234%0.343SS..  trans-70.2143.2176.7-58.4177.3000110.7R201 T223 R241R201-L221 HydrophobicContact CB-CD1 4.13Å; L221-T223 VanDerWaalsContact C-N 3.3Å; L221-T223 WeakPolarHBondContact CB-O 3.28Å; L221-R241 WeakPolarHBondContact O-CD 3.26Å
222K83.8Confident88Confident184 Ų18467.3 Ų67.380%0.833%0.331SS*.SBendtrans-70.1-30.2175.7-70-171.5174.8-171.90112.5R241K222-R241 WeakPolarHBondContact O-CB 3.06Å; K222-R241 PolarHBondContact O-N 2.9Å
223T87.8Confident88Confident28 Ų2869.2 Ų69.217%0.17234%0.341CS..EExtended strand (participates in β ladder)trans-136.9147.3-173.635.30000108.3L221 I239 E240 H443L221-T223 VanDerWaalsContact C-N 3.3Å; L221-T223 WeakPolarHBondContact CB-O 3.28Å; T223-I239 CarbonylContact C-O 3.52Å; T223-I239 WeakPolarHBondContact CA-O 3.34Å; T223-E240 HydrophobicContact CG2-CG 4.37Å; T223-H443 PolarHBondContact OG1-CE1 3.46Å; T223-H443 PolarHBondContact OG1-NE2 3.37Å
224L90.2Very high88.2Confident6 Ų669.2 Ų69.23%0.03134%0.342CS..EExtended strand (participates in β ladder)trans-127.5146.2179.6-74.8132.3000109.4R201 I203 M215 S238 I239 L244R201-L224 HydrophobicContact CB-CD2 3.98Å; I203-L224 HydrophobicContact CD1-CB 3.95Å; I203-L224 HydrophobicContact CD1-CD1 4.23Å; I203-L224 HydrophobicContact CD1-CD2 4.47Å; I203-L224 HydrophobicContact CD1-CG 4.44Å; M215-L224 HydrophobicContact CE-CD2 3.85Å; L224-S238 CarbonylContact O-C 3.53Å; L224-S238 VanDerWaalsContact O-CA 3.27Å; L224-S238 WeakPolarHBondContact O-CA 3.26Å; L224-S238 WeakPolarHBondContact O-CB 3.43Å; L224-I239 PolarHBondContact N-O 3.45Å; L224-I239 PolarHBondContact O-N 2.87Å; L224-L244 HydrophobicContact CB-CD1 4.36Å; L224-L244 HydrophobicContact CD1-CD1 3.56Å
225A92.1Very high88.4Confident1 Ų163.9 Ų63.91%0.00832%0.318CS..EExtended strand (participates in β ladder)trans-71.4133.4174.200000110.5F202 I203 L235 Y445 L452F202-A225 CarbonylContact C-O 3.49Å; F202-A225 WeakPolarHBondContact CA-O 3.37Å; F202-A225 HydrophobicContact CB-CB 4.12Å; I203-A225 PolarHBondContact N-O 3.49Å; A225-L235 HydrophobicContact CB-CD1 3.8Å; A225-Y445 HydrophobicContact CB-CD1 4.2Å; A225-Y445 HydrophobicContact CB-CE1 3.69Å; A225-L452 HydrophobicContact CB-CD2 3.66Å
226L93.2Very high88.6Confident4 Ų465.7 Ų65.72%0.02133%0.327CS..EExtended strand (participates in β ladder)trans-95.8121.1163-177.569.6000108.3I203 L205 L236 G237 I239 F411 I416I203-L226 HydrophobicContact CG2-CD1 4.42Å; L205-L226 HydrophobicContact CD2-CD1 4.25Å; L205-L226 HydrophobicContact CD2-CD2 4.08Å; L205-L226 HydrophobicContact CD2-CG 4.47Å; L226-L236 HydrophobicContact CD2-CB 4.32Å; L226-L236 HydrophobicContact CG-CB 4.38Å; L226-L236 PolarHBondContact O-N 2.94Å; L226-G237 PolarHBondContact N-O 3.29Å; L226-G237 PolarHBondContact O-N 3.44Å; L226-I239 HydrophobicContact CB-CD1 4.24Å; L226-I239 HydrophobicContact CB-CG1 4.33Å; L226-I239 HydrophobicContact CD1-CD1 4.16Å; L226-I239 HydrophobicContact CD2-CD1 4.28Å; L226-I239 HydrophobicContact CG-CD1 4.47Å; L226-F411 HydrophobicContact CD1-CE1 4.22Å; L226-F411 HydrophobicContact CD1-CZ 4.22Å; L226-I416 HydrophobicContact CD2-CD1 3.7Å; L226-I416 HydrophobicContact CD2-CG1 4.14Å; L226-I416 HydrophobicContact CD2-CG2 4.02Å
227V93.4Very high88.8Confident0 Ų065.1 Ų65.10%032%0.324CS..EExtended strand (participates in β ladder)trans-112.6158.9170.7-58.70000110.7F202 I203 T204 L205 I234 L452F202-V227 HydrophobicContact CB-CG1 4.13Å; F202-V227 HydrophobicContact CB-CG2 4.19Å; F202-V227 HydrophobicContact CD2-CG2 3.48Å; F202-V227 VanDerWaalsContact CD2-CG2 3.48Å; F202-V227 HydrophobicContact CE2-CG2 4.15Å; F202-V227 HydrophobicContact CG-CG2 4.03Å; I203-V227 PolarHBondContact O-N 3.33Å; T204-V227 WeakPolarHBondContact CA-O 3.33Å; T204-V227 HydrophobicContact CG2-CG2 4.04Å; L205-V227 PolarHBondContact N-O 2.77Å; V227-I234 WeakPolarHBondContact CA-O 3.45Å; V227-I234 WeakPolarHBondContact CB-O 3.42Å; V227-L452 HydrophobicContact CG1-CB 4.3Å; V227-L452 HydrophobicContact CG1-CD2 3.74Å
228E91.9Very high89Confident79 Ų7959.5 Ų59.537%0.36930%0.296SS..SBendtrans-64.5-66.7176.3177.8-164.2-123.100111.2L205 S232 I234 L236L205-E228 PolarHBondContact N-O 3.43Å; E228-S232 WeakPolarHBondContact OE2-CB 3.2Å; E228-S232 PolarHBondContact OE2-OG 2.98Å; E228-I234 HydrophobicContact CB-CB 4.46Å; E228-I234 PolarHBondContact N-O 3.11Å; E228-I234 VanDerWaalsContact N-O 3.09Å; E228-L236 HydrophobicContact CB-CD1 3.89Å; E228-L236 HydrophobicContact CB-CD2 4.33Å; E228-L236 HydrophobicContact CB-CG 4.13Å
229C91Very high89.3Confident45 Ų4555.9 Ų55.930%0.30427%0.274SS..  trans-140157.5-177.3-81.40000111.1D231 S232 M233C229-D231 PolarHBondContact O-N 3.47Å; C229-S232 PolarHBondContact N-OG 2.97Å; C229-S232 PolarHBondContact O-N 3.37Å; C229-S232 PolarHBondContact O-OG 3.46Å; C229-M233 PolarHBondContact O-N 2.93Å
230R89.1Confident90Very high192 Ų19260.2 Ų60.273%0.72529%0.291SS*.THydrogen-bonded Turntrans-64.5-24.9-178.2-166.5168.8-174.4156.81.2113.7F202 M233F202-R230 HydrophobicContact CE2-CG 4.36Å; F202-R230 HydrophobicContact CZ-CG 4.16Å; R230-M233 WeakPolarHBondContact O-CG 3.36Å
231D90.4Very high90.5Very high146 Ų14654.3 Ų54.378%0.78126%0.262SS*.THydrogen-bonded Turntrans-94.4-25.8179.1-48.7-57.5000113.3C229 R451C229-D231 PolarHBondContact O-N 3.47Å; D231-R451 PolarHBondContact O-NH1 3.34Å
232S91.1Very high91.1Very high17 Ų1756.1 Ų56.112%0.11927%0.271CS..THydrogen-bonded Turntrans-83.1-39174.472.30000111.1E228 C229 I234 R451E228-S232 WeakPolarHBondContact OE2-CB 3.2Å; E228-S232 PolarHBondContact OE2-OG 2.98Å; C229-S232 PolarHBondContact N-OG 2.97Å; C229-S232 PolarHBondContact O-N 3.37Å; C229-S232 PolarHBondContact O-OG 3.46Å; S232-I234 PolarHBondContact O-N 3.34Å; S232-I234 VanDerWaalsContact O-N 3.08Å; S232-R451 WeakPolarHBondContact O-CG 3.41Å; S232-R451 PolarHBondContact O-NH1 2.93Å
233M91.5Very high91.4Very high43 Ų4349 Ų4921%0.21224%0.241CC..  trans53.719-174.4-67.5-72-75.900113.3F202 C229 R230 L235 R451 L452F202-M233 HydrophobicContact CD1-CE 3.81Å; F202-M233 HydrophobicContact CD1-SD 4.13Å; F202-M233 HydrophobicContact CE1-CE 3.65Å; F202-M233 HydrophobicContact CE1-SD 3.74Å; F202-M233 HydrophobicContact CE2-SD 4.22Å; F202-M233 HydrophobicContact CZ-CE 4.32Å; F202-M233 HydrophobicContact CZ-SD 3.78Å; C229-M233 PolarHBondContact O-N 2.93Å; R230-M233 WeakPolarHBondContact O-CG 3.36Å; M233-L235 PolarHBondContact O-N 3.17Å; M233-R451 CarbonylContact O-C 3.45Å; M233-R451 WeakPolarHBondContact O-CA 3.44Å; M233-L452 WeakPolarHBondContact O-CB 3.33Å; M233-L452 PolarHBondContact O-N 3.23Å
234I93.5Very high91.5Very high64 Ų6447.6 Ų47.633%0.32823%0.232SC..BIsolated β-bridgetrans-68.1122.7-179-65172.9000108.6V227 E228 S232 L236 R451V227-I234 WeakPolarHBondContact CA-O 3.45Å; V227-I234 WeakPolarHBondContact CB-O 3.42Å; E228-I234 HydrophobicContact CB-CB 4.46Å; E228-I234 PolarHBondContact N-O 3.11Å; E228-I234 VanDerWaalsContact N-O 3.09Å; S232-I234 PolarHBondContact O-N 3.34Å; S232-I234 VanDerWaalsContact O-N 3.08Å; I234-L236 HydrophobicContact CG2-CD2 4.39Å; I234-L236 PolarHBondContact O-N 3.06Å; I234-R451 HydrophobicContact CG1-CG 4.39Å
235L93.6Very high91.6Very high14 Ų1451.2 Ų51.27%0.07325%0.249CC..EExtended strand (participates in β ladder)trans-75.1111.3180-176.665.4000109.7A225 M233 G237 P420 Q422 Y445 T447 G450 L452A225-L235 HydrophobicContact CB-CD1 3.8Å; M233-L235 PolarHBondContact O-N 3.17Å; L235-G237 WeakPolarHBondContact CD1-O 3.5Å; L235-P420 HydrophobicContact CD2-CG 4.3Å; L235-Q422 HydrophobicContact CD2-CG 4.17Å; L235-Y445 HydrophobicContact CD2-CD2 4.37Å; L235-Y445 HydrophobicContact CD2-CG 4.05Å; L235-T447 HydrophobicContact CB-CG2 4.17Å; L235-T447 HydrophobicContact CD2-CG2 3.74Å; L235-G450 PolarHBondContact N-O 3.46Å; L235-L452 HydrophobicContact CB-CB 4.45Å; L235-L452 HydrophobicContact CD1-CD2 4.42Å
236L92.3Very high91.5Very high65 Ų6553.9 Ų53.934%0.3427%0.268SS..EExtended strand (participates in β ladder)trans-90.4-23.5178.5-63.1-179000112.9L205 L226 E228 I234L205-L236 HydrophobicContact CD1-CD1 3.52Å; L205-L236 HydrophobicContact CD2-CD1 4.28Å; L205-L236 HydrophobicContact CG-CD1 3.83Å; L226-L236 HydrophobicContact CD2-CB 4.32Å; L226-L236 HydrophobicContact CG-CB 4.38Å; L226-L236 PolarHBondContact O-N 2.94Å; E228-L236 HydrophobicContact CB-CD1 3.89Å; E228-L236 HydrophobicContact CB-CD2 4.33Å; E228-L236 HydrophobicContact CB-CG 4.13Å; I234-L236 HydrophobicContact CG2-CD2 4.39Å; I234-L236 PolarHBondContact O-N 3.06Å
237G92.3Very high91.3Very high0 Ų054.5 Ų54.50%027%0.271CS..EExtended strand (participates in β ladder)trans166-166.1-177.300000113.3L226 L235 D417L226-G237 PolarHBondContact N-O 3.29Å; L226-G237 PolarHBondContact O-N 3.44Å; L235-G237 WeakPolarHBondContact CD1-O 3.5Å; G237-D417 CarbonylContact C-O 3.6Å; G237-D417 WeakPolarHBondContact CA-O 3.44Å
238S91.9Very high91.1Very high10 Ų1055.5 Ų55.57%0.0728%0.276CS..EExtended strand (participates in β ladder)trans-130.1154168.382.60000111.9L224 D417L224-S238 CarbonylContact O-C 3.53Å; L224-S238 VanDerWaalsContact O-CA 3.27Å; L224-S238 WeakPolarHBondContact O-CA 3.26Å; L224-S238 WeakPolarHBondContact O-CB 3.43Å; S238-D417 PolarHBondContact N-O 3.33Å; S238-D417 PolarHBondContact O-N 3.48Å
239I92.2Very high91Very high2 Ų255.1 Ų55.11%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-127.8137.3178.7-50.4174.9000109.3T223 L224 L226 Q243 L244 F411 C414 I416T223-I239 CarbonylContact C-O 3.52Å; T223-I239 WeakPolarHBondContact CA-O 3.34Å; L224-I239 PolarHBondContact N-O 3.45Å; L224-I239 PolarHBondContact O-N 2.87Å; L226-I239 HydrophobicContact CB-CD1 4.24Å; L226-I239 HydrophobicContact CB-CG1 4.33Å; L226-I239 HydrophobicContact CD1-CD1 4.16Å; L226-I239 HydrophobicContact CD2-CD1 4.28Å; L226-I239 HydrophobicContact CG-CD1 4.47Å; I239-Q243 HydrophobicContact CG2-CB 4.26Å; I239-L244 HydrophobicContact CB-CD1 4.32Å; I239-L244 HydrophobicContact CB-CD2 4.23Å; I239-L244 HydrophobicContact CB-CG 4.31Å; I239-L244 HydrophobicContact CD1-CD2 4.07Å; I239-L244 HydrophobicContact CG2-CD1 4.24Å; I239-L244 HydrophobicContact CG2-CD2 3.65Å; I239-L244 HydrophobicContact CG2-CG 3.71Å; I239-F411 HydrophobicContact CD1-CD1 3.93Å; I239-F411 HydrophobicContact CD1-CE1 3.82Å; I239-C414 WeakPolarHBondContact CG2-SG 3.21Å; I239-I416 HydrophobicContact CD1-CG1 4.06Å; I239-I416 HydrophobicContact CG1-CG1 4.03Å; I239-I416 HydrophobicContact CG1-CG2 4.42Å
240E91.1Very high90.9Very high101 Ų10157.7 Ų57.747%0.47229%0.293SS..EExtended strand (participates in β ladder)trans-69.5135.7173-62.4179.4125.200111.7T223 L242 Q243 L244T223-E240 HydrophobicContact CG2-CG 4.37Å; E240-L242 PolarHBondContact O-N 3.05Å; E240-L242 VanDerWaalsContact O-N 3.15Å; E240-Q243 HydrophobicContact CB-CG 4.13Å; E240-Q243 WeakPolarHBondContact O-CB 3.24Å; E240-Q243 PolarHBondContact O-N 3.47Å; E240-Q243 PolarHBondContact OE2-NE2 3.04Å; E240-L244 PolarHBondContact O-N 3.42Å
241R90.2Very high90.7Very high47 Ų4749.4 Ų49.418%0.17726%0.262CS..Hα-helixtrans-52-39176.4-173.5-162.9174.983.9-5112.7L216 G219 L221 K222 Q243 L244 Q245L216-R241 HydrophobicContact CD2-CG 3.54Å; L216-R241 PolarHBondContact O-NH1 3.08Å; L216-R241 PolarHBondContact O-NH2 3.29Å; G219-R241 PolarHBondContact O-NH1 3.08Å; G219-R241 PolarHBondContact O-NH2 3.25Å; L221-R241 WeakPolarHBondContact O-CD 3.26Å; K222-R241 WeakPolarHBondContact O-CB 3.06Å; K222-R241 PolarHBondContact O-N 2.9Å; R241-Q243 VanDerWaalsContact C-N 3.32Å; R241-Q243 PolarHBondContact O-N 3.4Å; R241-L244 PolarHBondContact O-N 3.02Å; R241-Q245 HydrophobicContact CG-CG 4.42Å; R241-Q245 WeakPolarHBondContact O-CG 3.45Å; R241-Q245 PolarHBondContact O-N 3.25Å
242L90.5Very high90.6Very high130 Ų13044.5 Ų44.568%0.68124%0.236SC*.Hα-helixtrans-63.1-37.3-179.7-65.6175.7000112.3E240 S246E240-L242 PolarHBondContact O-N 3.05Å; E240-L242 VanDerWaalsContact O-N 3.15Å; L242-S246 WeakPolarHBondContact O-CB 3.24Å; L242-S246 PolarHBondContact O-N 2.98Å
243Q90.8Very high90.4Very high34 Ų3445 Ų4516%0.15924%0.239CC..Hα-helixtrans-69.1-41.2176.2-61.5-179.138.200111I239 E240 R241 S246 L247 K415I239-Q243 HydrophobicContact CG2-CB 4.26Å; E240-Q243 HydrophobicContact CB-CG 4.13Å; E240-Q243 WeakPolarHBondContact O-CB 3.24Å; E240-Q243 PolarHBondContact O-N 3.47Å; E240-Q243 PolarHBondContact OE2-NE2 3.04Å; R241-Q243 VanDerWaalsContact C-N 3.32Å; R241-Q243 PolarHBondContact O-N 3.4Å; Q243-S246 WeakPolarHBondContact O-CB 3.29Å; Q243-S246 PolarHBondContact O-N 3.46Å; Q243-S246 VanDerWaalsContact O-N 3.16Å; Q243-L247 WeakPolarHBondContact O-CG 3.49Å; Q243-L247 PolarHBondContact O-N 2.94Å; Q243-K415 PolarHBondContact NE2-O 3.21Å; Q243-K415 VanDerWaalsContact OE1-CA 3.31Å; Q243-K415 PolarHBondContact OE1-O 3.06Å
244L90Very high90Very high0 Ų050 Ų500%026%0.256CS..Hα-helixtrans-64.5-40.3176.3-62.2173.3000112.2I203 L212 L216 L224 I239 E240 R241 S246 L247 L248I203-L244 HydrophobicContact CD1-CD1 3.42Å; I203-L244 VanDerWaalsContact CD1-CD1 3.42Å; I203-L244 HydrophobicContact CD1-CD2 4.35Å; L212-L244 HydrophobicContact CD1-CB 4.12Å; L212-L244 HydrophobicContact CD1-CD1 4.13Å; L212-L244 HydrophobicContact CD1-CD2 3.9Å; L212-L244 HydrophobicContact CD1-CG 4.26Å; L212-L244 HydrophobicContact CD2-CB 4.37Å; L216-L244 HydrophobicContact CD1-CB 4.44Å; L216-L244 HydrophobicContact CD2-CB 4.41Å; L224-L244 HydrophobicContact CB-CD1 4.36Å; L224-L244 HydrophobicContact CD1-CD1 3.56Å; I239-L244 HydrophobicContact CB-CD1 4.32Å; I239-L244 HydrophobicContact CB-CD2 4.23Å; I239-L244 HydrophobicContact CB-CG 4.31Å; I239-L244 HydrophobicContact CD1-CD2 4.07Å; I239-L244 HydrophobicContact CG2-CD1 4.24Å; I239-L244 HydrophobicContact CG2-CD2 3.65Å; I239-L244 HydrophobicContact CG2-CG 3.71Å; E240-L244 PolarHBondContact O-N 3.42Å; R241-L244 PolarHBondContact O-N 3.02Å; L244-S246 VanDerWaalsContact C-N 3.34Å; L244-L247 HydrophobicContact CD2-CD1 4.43Å; L244-L247 PolarHBondContact O-N 3.39Å; L244-L248 PolarHBondContact O-N 3.21Å
245Q91.1Very high89.5Confident81 Ų8151.9 Ų51.938%0.37926%0.263SS..Hα-helixtrans-63.4-39.8171.4-71.1178.5-72.400111.5L216 R241 L248 S249L216-Q245 HydrophobicContact CD1-CG 3.86Å; L216-Q245 HydrophobicContact CD2-CG 3.76Å; L216-Q245 HydrophobicContact CG-CG 4.4Å; R241-Q245 HydrophobicContact CG-CG 4.42Å; R241-Q245 WeakPolarHBondContact O-CG 3.45Å; R241-Q245 PolarHBondContact O-N 3.25Å; Q245-L248 PolarHBondContact O-N 3.01Å; Q245-S249 WeakPolarHBondContact O-CB 3.41Å; Q245-S249 PolarHBondContact O-N 3.02Å; Q245-S249 PolarHBondContact O-OG 3.29Å
246S90.4Very high89Confident58 Ų5855.6 Ų55.641%0.40628%0.276SS..Hα-helixtrans-62.9-46.8175.2-175.20000112L242 Q243 L244 L248 S249 L250L242-S246 WeakPolarHBondContact O-CB 3.24Å; L242-S246 PolarHBondContact O-N 2.98Å; Q243-S246 WeakPolarHBondContact O-CB 3.29Å; Q243-S246 PolarHBondContact O-N 3.46Å; Q243-S246 VanDerWaalsContact O-N 3.16Å; L244-S246 VanDerWaalsContact C-N 3.34Å; S246-L248 PolarHBondContact O-N 3.47Å; S246-S249 WeakPolarHBondContact CA-OG 3.36Å; S246-S249 PolarHBondContact O-N 3.29Å; S246-S249 PolarHBondContact O-OG 3.47Å; S246-L250 WeakPolarHBondContact O-CB 3.45Å; S246-L250 PolarHBondContact O-N 3.43Å
247L89.3Confident88.7Confident16 Ų1653.9 Ų53.98%0.08427%0.265CS..Hα-helixtrans-58.4-45.4175.4-70.7173.4000112.2Y209 Q243 L244 L250 Q251 V409 C414Y209-L247 HydrophobicContact CE1-CB 4.39Å; Q243-L247 WeakPolarHBondContact O-CG 3.49Å; Q243-L247 PolarHBondContact O-N 2.94Å; L244-L247 HydrophobicContact CD2-CD1 4.43Å; L244-L247 PolarHBondContact O-N 3.39Å; L247-L250 WeakPolarHBondContact O-CB 3.27Å; L247-L250 PolarHBondContact O-N 3.36Å; L247-Q251 PolarHBondContact O-N 2.89Å; L247-Q251 VanDerWaalsContact O-N 3.13Å; L247-V409 HydrophobicContact CD1-CG1 4.48Å; L247-C414 HydrophobicContact CD1-CB 3.97Å
248L89.6Confident88.3Confident21 Ų2154.8 Ų54.811%0.1127%0.269CS..Hα-helixtrans-62.1-44177-172.866.2000111.4Y209 Q213 L216 L244 Q245 S246 L250 Q251 L252 L405Y209-L248 HydrophobicContact CD1-CD1 4.06Å; Q213-L248 HydrophobicContact CB-CD1 4.46Å; Q213-L248 HydrophobicContact CB-CD2 4.05Å; Q213-L248 HydrophobicContact CG-CD2 4.12Å; L216-L248 HydrophobicContact CD1-CD2 4.03Å; L244-L248 PolarHBondContact O-N 3.21Å; Q245-L248 PolarHBondContact O-N 3.01Å; S246-L248 PolarHBondContact O-N 3.47Å; L248-L250 VanDerWaalsContact C-N 3.28Å; L248-L250 PolarHBondContact O-N 3.49Å; L248-Q251 PolarHBondContact O-N 2.85Å; L248-L252 HydrophobicContact CD1-CD1 4.12Å; L248-L252 HydrophobicContact CG-CD1 4.04Å; L248-L252 WeakPolarHBondContact O-CG 3.36Å; L248-L252 PolarHBondContact O-N 3.45Å; L248-L252 VanDerWaalsContact O-N 3.08Å; L248-L405 HydrophobicContact CD1-CD2 3.86Å
249S89.6Confident87.9Confident71 Ų7158.2 Ų58.250%0.49728%0.284SS..Hα-helixtrans-68.8-22.7176.370.40000114.3Q245 S246 S253Q245-S249 WeakPolarHBondContact O-CB 3.41Å; Q245-S249 PolarHBondContact O-N 3.02Å; Q245-S249 PolarHBondContact O-OG 3.29Å; S246-S249 WeakPolarHBondContact CA-OG 3.36Å; S246-S249 PolarHBondContact O-N 3.29Å; S246-S249 PolarHBondContact O-OG 3.47Å; S249-S253 WeakPolarHBondContact O-CB 3.42Å; S249-S253 PolarHBondContact O-N 2.97Å
250L87.9Confident87.6Confident100 Ų10061.7 Ų61.752%0.52430%0.298SS..Hα-helixtrans-76.6-37.6175-92.2161000111.9S246 L247 L248 S253S246-L250 WeakPolarHBondContact O-CB 3.45Å; S246-L250 PolarHBondContact O-N 3.43Å; L247-L250 WeakPolarHBondContact O-CB 3.27Å; L247-L250 PolarHBondContact O-N 3.36Å; L248-L250 VanDerWaalsContact C-N 3.28Å; L248-L250 PolarHBondContact O-N 3.49Å; L250-S253 VanDerWaalsContact O-CB 3.22Å; L250-S253 WeakPolarHBondContact O-CB 3.29Å; L250-S253 PolarHBondContact O-N 3.36Å; L250-S253 PolarHBondContact O-OG 3.41Å
251Q86.1Confident87.2Confident17 Ų1758 Ų588%0.07928%0.281CS..Hα-helixtrans-69.2-49.5172.9-64.3-62.55.600111.6Y209 L247 L248 S253 R256 W400Y209-Q251 HydrophobicContact CD1-CG 4.03Å; Y209-Q251 HydrophobicContact CD2-CG 4Å; Y209-Q251 HydrophobicContact CE1-CG 3.59Å; Y209-Q251 HydrophobicContact CE2-CG 3.55Å; Y209-Q251 VanDerWaalsContact CE2-NE2 3.34Å; Y209-Q251 HydrophobicContact CG-CG 4.24Å; Y209-Q251 VanDerWaalsContact CZ-NE2 3.28Å; Y209-Q251 PolarHBondContact OH-NE2 3.41Å; L247-Q251 PolarHBondContact O-N 2.89Å; L247-Q251 VanDerWaalsContact O-N 3.13Å; L248-Q251 PolarHBondContact O-N 2.85Å; Q251-S253 PolarHBondContact O-N 2.92Å; Q251-R256 WeakPolarHBondContact O-CB 3.31Å; Q251-W400 WeakPolarHBondContact O-CH2 3.11Å
252L87Confident86.8Confident44 Ų4460 Ų6023%0.2329%0.289CS..THydrogen-bonded Turntrans-75.522.1176.2-56.9171.4000112.5L248 E401 Q404L248-L252 HydrophobicContact CD1-CD1 4.12Å; L248-L252 HydrophobicContact CG-CD1 4.04Å; L248-L252 WeakPolarHBondContact O-CG 3.36Å; L248-L252 PolarHBondContact O-N 3.45Å; L248-L252 VanDerWaalsContact O-N 3.08Å; L252-E401 HydrophobicContact CD2-CB 3.83Å; L252-E401 HydrophobicContact CD2-CG 3.78Å; L252-Q404 HydrophobicContact CD2-CB 4.49Å
253S87.1Confident86.5Confident26 Ų2659.7 Ų59.718%0.18228%0.284CS..  trans-83145.7-17871.40000111.9S249 L250 Q251 Q255 R256 R257S249-S253 WeakPolarHBondContact O-CB 3.42Å; S249-S253 PolarHBondContact O-N 2.97Å; L250-S253 VanDerWaalsContact O-CB 3.22Å; L250-S253 WeakPolarHBondContact O-CB 3.29Å; L250-S253 PolarHBondContact O-N 3.36Å; L250-S253 PolarHBondContact O-OG 3.41Å; Q251-S253 PolarHBondContact O-N 2.92Å; S253-Q255 PolarHBondContact O-N 3.03Å; S253-Q255 VanDerWaalsContact O-N 3.14Å; S253-R256 WeakPolarHBondContact O-CB 3.37Å; S253-R256 PolarHBondContact O-N 3.03Å; S253-R256 VanDerWaalsContact O-N 3.1Å; S253-R256 PolarHBondContact OG-N 3.03Å; S253-R257 PolarHBondContact O-N 3.07Å; S253-R257 VanDerWaalsContact O-N 3.14Å
254R82.8Confident86.1Confident150 Ų15061.6 Ų61.657%0.56630%0.295SS*.Hα-helixtrans-53.7-33.1170.9-169.9-178.5-172.5-137.8-1.3112.3R257 L258 D390R254-R257 PolarHBondContact O-N 3.48Å; R254-L258 HydrophobicContact CG-CD1 4.16Å; R254-L258 HydrophobicContact CG-CG 4.36Å; R254-L258 WeakPolarHBondContact O-CB 3.39Å; R254-L258 VanDerWaalsContact O-CG 3.28Å; R254-L258 WeakPolarHBondContact O-CG 3.46Å; R254-L258 PolarHBondContact O-N 3.29Å; R254-D390 WeakPolarHBondContact CG-OD2 3.31Å; R254-D390 IonicContact CZ-OD2 3.99Å; R254-D390 IonicContact NE-OD2 3.24Å; R254-D390 PolarHBondContact NE-OD2 2.81Å; R254-D390 VanDerWaalsContact NH2-CB 3.33Å; R254-D390 IonicContact NH2-OD2 3.83Å
255Q83.9Confident85.6Confident102 Ų10264.1 Ų64.148%0.47732%0.315SS..Hα-helixtrans-63.6-47.5177.9-174.566.122.400111.6S253 R257 L258 E259S253-Q255 PolarHBondContact O-N 3.03Å; S253-Q255 VanDerWaalsContact O-N 3.14Å; Q255-R257 VanDerWaalsContact C-N 3.32Å; Q255-R257 PolarHBondContact O-N 3.07Å; Q255-L258 PolarHBondContact O-N 3.1Å; Q255-E259 WeakPolarHBondContact CG-OE1 3.36Å; Q255-E259 PolarHBondContact NE2-OE1 3.01Å; Q255-E259 WeakPolarHBondContact O-CG 3.19Å; Q255-E259 PolarHBondContact O-N 3.43Å
256R83.7Confident84.9Confident93 Ų9367 Ų6735%0.35133%0.329SS..Hα-helixtrans-58.5-41.6173-93.6-73.9-170.8126.7-4112.1Q251 S253 E259 Y260 W400Q251-R256 WeakPolarHBondContact O-CB 3.31Å; S253-R256 WeakPolarHBondContact O-CB 3.37Å; S253-R256 PolarHBondContact O-N 3.03Å; S253-R256 VanDerWaalsContact O-N 3.1Å; S253-R256 PolarHBondContact OG-N 3.03Å; R256-E259 PolarHBondContact O-N 3.47Å; R256-Y260 PolarHBondContact O-N 3.24Å; R256-W400 HydrophobicContact CB-CH2 3.91Å; R256-W400 HydrophobicContact CB-CZ2 4.12Å
257R85.4Confident84.1Confident29 Ų2969.7 Ų69.711%0.10934%0.339CS..Hα-helixtrans-64.5-42.5177.3-169.5167.169.9-145.15.3112.7S253 R254 Q255 E259 Y260 L261 D390 M392 W400S253-R257 PolarHBondContact O-N 3.07Å; S253-R257 VanDerWaalsContact O-N 3.14Å; R254-R257 PolarHBondContact O-N 3.48Å; Q255-R257 VanDerWaalsContact C-N 3.32Å; Q255-R257 PolarHBondContact O-N 3.07Å; R257-E259 VanDerWaalsContact C-N 3.34Å; R257-Y260 PolarHBondContact O-N 2.93Å; R257-L261 WeakPolarHBondContact O-CG 3.34Å; R257-L261 PolarHBondContact O-N 3.4Å; R257-D390 IonicContact CZ-OD1 2.73Å; R257-D390 IonicContact CZ-OD2 3.39Å; R257-D390 IonicContact NE-OD1 3.6Å; R257-D390 PolarHBondContact NE-OD1 3.11Å; R257-D390 IonicContact NE-OD2 3.2Å; R257-D390 IonicContact NH2-OD1 2.77Å; R257-D390 PolarHBondContact NH2-OD1 2.91Å; R257-D390 IonicContact NH2-OD2 3.7Å; R257-D390 PolarHBondContact NH2-OD2 3.14Å; R257-M392 VanDerWaalsContact CD-SD 3.57Å; R257-M392 HydrophobicContact CG-SD 3.61Å; R257-W400 HydrophobicContact CB-CE3 4.35Å; R257-W400 HydrophobicContact CB-CH2 3.82Å; R257-W400 HydrophobicContact CB-CZ2 4.02Å; R257-W400 HydrophobicContact CB-CZ3 4Å; R257-W400 HydrophobicContact CG-CD2 4.3Å; R257-W400 HydrophobicContact CG-CE3 4.28Å; R257-W400 HydrophobicContact CG-CZ3 4.42Å
258L83.6Confident83.1Confident18 Ų1874.2 Ų74.29%0.09436%0.363CS..Hα-helixtrans-67.4-32.3175.2-70.3173.8000112.7R254 Q255 L261 R262 V388 D390R254-L258 HydrophobicContact CG-CD1 4.16Å; R254-L258 HydrophobicContact CG-CG 4.36Å; R254-L258 WeakPolarHBondContact O-CB 3.39Å; R254-L258 VanDerWaalsContact O-CG 3.28Å; R254-L258 WeakPolarHBondContact O-CG 3.46Å; R254-L258 PolarHBondContact O-N 3.29Å; Q255-L258 PolarHBondContact O-N 3.1Å; L258-L261 HydrophobicContact CD2-CD1 4.47Å; L258-R262 VanDerWaalsContact O-CG 3.25Å; L258-R262 WeakPolarHBondContact O-CG 3.49Å; L258-R262 PolarHBondContact O-N 3.48Å; L258-V388 WeakPolarHBondContact CD2-O 3.42Å; L258-D390 HydrophobicContact CD2-CB 4Å
259E84.4Confident81.7Confident82 Ų8276.1 Ų76.138%0.38339%0.387SS..Hα-helixtrans-69.8-41.7173.4-75.3163.1-167.900111.9Q255 R256 R257 R262 Q263Q255-E259 WeakPolarHBondContact CG-OE1 3.36Å; Q255-E259 PolarHBondContact NE2-OE1 3.01Å; Q255-E259 WeakPolarHBondContact O-CG 3.19Å; Q255-E259 PolarHBondContact O-N 3.43Å; R256-E259 PolarHBondContact O-N 3.47Å; R257-E259 VanDerWaalsContact C-N 3.34Å; E259-R262 PolarHBondContact O-N 2.91Å; E259-Q263 PolarHBondContact O-N 3.25Å; E259-Q263 VanDerWaalsContact O-N 3.08Å
260Y84.5Confident79.8Confident75 Ų7576.4 Ų76.429%0.29440%0.395SS..Hα-helixtrans-60-46.3170.9175.7-99.2000112.3R256 R257 R262 Q263 L264 M392 W400R256-Y260 PolarHBondContact O-N 3.24Å; R257-Y260 PolarHBondContact O-N 2.93Å; Y260-R262 VanDerWaalsContact C-N 3.32Å; Y260-R262 PolarHBondContact O-N 3.19Å; Y260-Q263 PolarHBondContact O-N 3.03Å; Y260-L264 HydrophobicContact CE1-CD1 4.14Å; Y260-L264 PolarHBondContact O-N 2.97Å; Y260-M392 HydrophobicContact CD1-CE 3.82Å; Y260-M392 HydrophobicContact CE1-CE 3.66Å; Y260-W400 AromaticContact CD1-CD1 3.47Å; Y260-W400 VanDerWaalsContact CD1-CD1 3.47Å; Y260-W400 AromaticContact CD1-NE1 3.42Å; Y260-W400 AromaticContact CD2-NE1 3.8Å; Y260-W400 AromaticContact CE1-CD1 3.59Å; Y260-W400 AromaticContact CE1-NE1 3.98Å; Y260-W400 AromaticContact CG-CD1 3.82Å; Y260-W400 AromaticContact CG-NE1 3.31Å; Y260-W400 VanDerWaalsContact CG-NE1 3.31Å
261L82.9Confident77.6Confident23 Ų2379.2 Ų79.212%0.1241%0.405CS..Hα-helixtrans-61.6-36.6176-75.6170000112.8R257 L258 A265 V388 M392R257-L261 WeakPolarHBondContact O-CG 3.34Å; R257-L261 PolarHBondContact O-N 3.4Å; L258-L261 HydrophobicContact CD2-CD1 4.47Å; L261-A265 WeakPolarHBondContact O-CB 3.24Å; L261-A265 PolarHBondContact O-N 2.96Å; L261-V388 HydrophobicContact CB-CG1 3.87Å; L261-M392 HydrophobicContact CD1-CG 4.24Å; L261-M392 HydrophobicContact CD1-SD 4.36Å; L261-M392 HydrophobicContact CD2-CE 3.96Å; L261-M392 HydrophobicContact CD2-CG 4.02Å; L261-M392 HydrophobicContact CD2-SD 4.29Å; L261-M392 HydrophobicContact CG-CE 4.38Å; L261-M392 HydrophobicContact CG-SD 4.37Å
262R82.9Confident75.2Confident91 Ų9186.1 Ų86.134%0.34344%0.442SS..Hα-helixtrans-65.4-39.3173.6-75.2166.7-172141.24.4112.6L258 E259 Y260 Q266 V388L258-R262 VanDerWaalsContact O-CG 3.25Å; L258-R262 WeakPolarHBondContact O-CG 3.49Å; L258-R262 PolarHBondContact O-N 3.48Å; E259-R262 PolarHBondContact O-N 2.91Å; Y260-R262 VanDerWaalsContact C-N 3.32Å; Y260-R262 PolarHBondContact O-N 3.19Å; R262-Q266 VanDerWaalsContact O-CG 3.3Å; R262-Q266 WeakPolarHBondContact O-CG 3.26Å; R262-Q266 PolarHBondContact O-N 3.06Å; R262-Q266 VanDerWaalsContact O-N 3.13Å; R262-V388 HydrophobicContact CG-CB 4.1Å; R262-V388 HydrophobicContact CG-CG2 3.73Å
263Q83.2Confident73Confident123 Ų12389.4 Ų89.458%0.57547%0.466SS*.Hα-helixtrans-66.1-48.8176.1-72.5176.8-31.400110.9E259 Y260 A265 Q266 D267E259-Q263 PolarHBondContact O-N 3.25Å; E259-Q263 VanDerWaalsContact O-N 3.08Å; Y260-Q263 PolarHBondContact O-N 3.03Å; Q263-A265 VanDerWaalsContact C-N 3.26Å; Q263-A265 PolarHBondContact O-N 3.36Å; Q263-Q266 WeakPolarHBondContact O-CA 3.14Å; Q263-Q266 WeakPolarHBondContact O-CB 3.16Å; Q263-Q266 PolarHBondContact O-N 3.05Å; Q263-D267 PolarHBondContact O-N 3.19Å
264L82.3Confident70.8Confident73 Ų7395.4 Ų95.438%0.38250%0.495SS..Hα-helixtrans-60.4-34.9177.8-172.4147.4000112.4Y260 N268Y260-L264 HydrophobicContact CE1-CD1 4.14Å; Y260-L264 PolarHBondContact O-N 2.97Å; L264-N268 WeakPolarHBondContact CD2-ND2 3.43Å; L264-N268 WeakPolarHBondContact O-CB 3.32Å; L264-N268 VanDerWaalsContact O-CG 3.28Å; L264-N268 PolarHBondContact O-N 2.97Å; L264-N268 VanDerWaalsContact O-N 3.12Å; L264-N268 PolarHBondContact O-ND2 3.06Å
265A79Confident68.6Low53 Ų5394.1 Ų94.144%0.43851%0.506SS..Hα-helixtrans-69.2-31.8172.300000113.6L261 Q263 G269L261-A265 WeakPolarHBondContact O-CB 3.24Å; L261-A265 PolarHBondContact O-N 2.96Å; Q263-A265 VanDerWaalsContact C-N 3.26Å; Q263-A265 PolarHBondContact O-N 3.36Å; A265-G269 PolarHBondContact O-N 2.93Å; A265-G269 VanDerWaalsContact O-N 3.11Å
266Q78.1Confident66Low141 Ų14193.8 Ų93.866%0.65952%0.515SS*.Hα-helixtrans-75.2-43.1176.9-73.7170.720.100111.9R262 Q263 G269 A270R262-Q266 VanDerWaalsContact O-CG 3.3Å; R262-Q266 WeakPolarHBondContact O-CG 3.26Å; R262-Q266 PolarHBondContact O-N 3.06Å; R262-Q266 VanDerWaalsContact O-N 3.13Å; Q263-Q266 WeakPolarHBondContact O-CA 3.14Å; Q263-Q266 WeakPolarHBondContact O-CB 3.16Å; Q263-Q266 PolarHBondContact O-N 3.05Å; Q266-G269 PolarHBondContact O-N 3.14Å; Q266-A270 PolarHBondContact O-N 3.19Å
267D72.4Confident63.6Low116 Ų11696.6 Ų96.662%0.6254%0.536SS*.Hα-helixtrans-66-42.5177.7-72-19.3000111.6Q263 G269 A270Q263-D267 PolarHBondContact O-N 3.19Å; D267-G269 VanDerWaalsContact C-N 3.29Å; D267-G269 PolarHBondContact O-N 3.11Å; D267-A270 WeakPolarHBondContact O-CB 3.47Å; D267-A270 PolarHBondContact O-N 3.25Å
268N69.5Low60.8Low111 Ų111101.3 Ų101.359%0.59457%0.568SS**Hα-helixtrans-64.5-34.5172.8-73.9-24.2000112.1L264 A270 H271L264-N268 WeakPolarHBondContact CD2-ND2 3.43Å; L264-N268 WeakPolarHBondContact O-CB 3.32Å; L264-N268 VanDerWaalsContact O-CG 3.28Å; L264-N268 PolarHBondContact O-N 2.97Å; L264-N268 VanDerWaalsContact O-N 3.12Å; L264-N268 PolarHBondContact O-ND2 3.06Å; N268-A270 PolarHBondContact O-N 3.1Å; N268-H271 PolarHBondContact O-N 3.39Å
269G59.2Low58.3Low60 Ų60105.1 Ų105.162%0.61960%0.597SS**THydrogen-bonded Turntrans-66.9-9.5175.100000115A265 Q266 D267A265-G269 PolarHBondContact O-N 2.93Å; A265-G269 VanDerWaalsContact O-N 3.11Å; Q266-G269 PolarHBondContact O-N 3.14Å; D267-G269 VanDerWaalsContact C-N 3.29Å; D267-G269 PolarHBondContact O-N 3.11Å
270A50.6Low55.4Low78 Ų78107.6 Ų107.665%0.64561%0.613SS**THydrogen-bonded Turntrans-90.2-4.9175.600000113.9Q266 D267 N268Q266-A270 PolarHBondContact O-N 3.19Å; D267-A270 WeakPolarHBondContact O-CB 3.47Å; D267-A270 PolarHBondContact O-N 3.25Å; N268-A270 PolarHBondContact O-N 3.1Å
271H41.9Very low52.8Low159 Ų159109.3 Ų109.374%0.73664%0.636SS**  trans-120.544.7-166.1-91.1-64.3000115.2N268 P273N268-H271 PolarHBondContact O-N 3.39Å; H271-P273 WeakPolarHBondContact O-CD 3.42Å
272D35.3Very low50.2Low161 Ų161113.7 Ų113.786%0.86166%0.664SS**  trans-96.994.6169.1-101.2-26.6000112.5L274D272-L274 PolarHBondContact O-N 3.11Å
273P39.7Very low48.5Very low113 Ų113114.8 Ų114.873%0.73468%0.682SS**  trans-78.8105.5168.931.4-33.4000110.6H271 P275H271-P273 WeakPolarHBondContact O-CD 3.42Å; P273-P275 VanDerWaalsContact O-CD 3.3Å; P273-P275 WeakPolarHBondContact O-CD 3.17Å
274L41.4Very low45.9Very low153 Ų153115 Ų11580%0.80170%0.697SS**  trans-54.5115.9-177.3-173.6138.5000113.3D272D272-L274 PolarHBondContact O-N 3.11Å
275P36.4Very low43.2Very low122 Ų122116.9 Ų116.979%0.79272%0.717SS**  trans-80.8131.2173.431-30.1000110.6P273P273-P275 VanDerWaalsContact O-CD 3.3Å; P273-P275 WeakPolarHBondContact O-CD 3.17Å
276S30.1Very low41.4Very low96 Ų96119.2 Ų119.267%0.67173%0.727SS**  trans-110.3-176.8172.356.80000110.6
277L32.1Very low39Very low151 Ų151118.5 Ų118.579%0.79174%0.737SS**  trans89.2103.9-174.1-52.5169.3000113
278T27.6Very low36.8Very low128 Ų128116.9 Ų116.979%0.78574%0.739SS**  71.213867.465.90000114.1
279S29.9Very low34.7Very low98 Ų98120.3 Ų120.369%0.68575%0.751SS**  cis-133.8-171.92.1660000110
280D25.1Very low33.1Very low135 Ų135123.1 Ų123.172%0.72276%0.756SS**  cis-149.7-165.512.3-122.6-51000107.9
281S29.8Very low31.9Very low111 Ų111127.3 Ų127.378%0.77676%0.762SS**  cis-143.3164.317.468.40000115.4
282T28.4Very low31.2Very low115 Ų115127.2 Ų127.271%0.70677%0.766SS**  trans-93.4175.5176.253.60000113.7
283P47.1Very low30.8Very low114 Ų114126 Ų12674%0.7476%0.76SS**  cis-135168.8-14.723.3-0.7000115.5
284S27.8Very low30.1Very low126 Ų126126.9 Ų126.988%0.88176%0.763SS**  -165158.1124.625.80000112.2
285S25.7Very low30.2Very low114 Ų114124.9 Ų124.980%0.79776%0.76SS**  trans-146.7176.4-173.1-141.60000107.4
286P41Very low29.8Very low102 Ų102126.6 Ų126.666%0.66277%0.768SS**  cis-141.4163.84.841-22.6000117.8
287C26.8Very low29.7Very low126 Ų126129 Ų12985%0.85177%0.773SS**  trans60.7159.4146.3-66.30000120.2
288A26.4Very low29.6Very low82 Ų82128.1 Ų128.168%0.67877%0.774SS**  cis-150.3142.3-0.800000113
289H25.6Very low29.6Very low182 Ų182127.6 Ų127.684%0.84378%0.776SS**  49.6143.6129.8-84.7-78.4000125.4
290V26.2Very low29.6Very low119 Ų119127.2 Ų127.272%0.72178%0.779SS**  trans99.298.8143.8168.40000120.4
291H25.3Very low29.8Very low167 Ų167132.1 Ų132.177%0.77379%0.787SS**  trans68.3150.4133.5-86.5-87.7000126
292L28.2Very low29.7Very low156 Ų156136.1 Ų136.182%0.81779%0.794SS**  trans96.1126.2145.9-114.876.6000120
293N25.3Very low29.7Very low136 Ų136136.1 Ų136.173%0.72779%0.793SS**  trans-80.3156.9-173.4-62.1-21.1000113.4
294T26.7Very low28.6Very low131 Ų131137.3 Ų137.380%0.80480%0.798SS**  trans67.2166.7144.353.20000118.2
295P42.8Very low28.5Very low112 Ų112140.3 Ų140.373%0.72779%0.79SS**  -138160.3-5839.1-24000113.5
296T28.4Very low28.3Very low157 Ų157144.7 Ų144.796%0.96380%0.795SS**  trans-150.8162.9157.615.80000111.7
297N27.2Very low27.6Very low148 Ų148145.2 Ų145.279%0.79179%0.791SS**  trans-139.2173.4-159.6-153.2-14.9000111.7
298T29.7Very low27.5Very low131 Ų131146.7 Ų146.780%0.80479%0.789SS**  trans71.8146-178.577.90000115.2
299S29Very low27.5Very low118 Ų118147.5 Ų147.583%0.82579%0.79SS**  cis-142.3160.95.2-148.60000109.4
300A28.3Very low27.5Very low90 Ų90145.5 Ų145.574%0.74479%0.791SS**  cis-145.4163.711.600000112.4
301R29.3Very low27.5Very low238 Ų238148.5 Ų148.590%0.89880%0.797SS**  trans-140.7120.6170.3-95.3-177.2168.1176.6-3.2110.7
302Q28.5Very low27.5Very low195 Ų195149.8 Ų149.891%0.91180%0.804SS**  trans-138.5124.4150.1-78.8178.1-3500105.9
303V27.9Very low27.4Very low114 Ų114147.5 Ų147.569%0.69180%0.8SS**  cis77.8107.239.9-177.10000113
304V25.1Very low27.3Very low140 Ų140146.2 Ų146.285%0.84880%0.802SS**  -131.2134.1120.4177.50000107.3
305R25.5Very low27.2Very low189 Ų189144.9 Ų144.971%0.71380%0.798SS**  trans-100.7164.5164.1-74.9172.4161.5166-8.7107.6
306F21.7Very low26.2Very low205 Ų205149.5 Ų149.590%0.89981%0.807SS**  -139.2147.5114.8-101.9-72.6000111.3
307L24.8Very low26.1Very low113 Ų113147.1 Ų147.159%0.59280%0.797SS**  trans-121160.8172.1-90.1155.1000106.1
308I26.6Very low26.7Very low157 Ų157145.8 Ų145.881%0.80580%0.797SS**  -164.5142124.3-97147.5000107.8
309S24.6Very low26.4Very low99 Ų99144 Ų14469%0.69280%0.795SS**  trans-136.8137.3167.8-51.30000106.6
310T25.6Very low26.3Very low141 Ų141143.3 Ų143.387%0.86580%0.796SS**  trans-167.9158.6137.523.30000110
311E27.2Very low26.2Very low181 Ų181144 Ų14485%0.84680%0.796SS**  trans-72.4162.1178.2-57.9150.3164.200111.6
312E25.5Very low26.1Very low195 Ų195140.5 Ų140.591%0.91180%0.795SS**  -170.8-174.5114.5-109-175.1-154.200112.1
313S24.9Very low26.1Very low107 Ų107135.6 Ų135.675%0.74879%0.787SS**  trans-115.4151.2-151.1-61.50000116.6
314S24.6Very low26.2Very low110 Ų110139.2 Ų139.277%0.76980%0.797SS**  trans82.1142.2141.9790000122.5
315S23.8Very low26.7Very low102 Ų102140.4 Ų140.471%0.71380%0.798SS**  trans111.6125.7133.681.70000120.8
316F22.3Very low27Very low209 Ų209137.4 Ų137.492%0.91780%0.802SS**  trans63.4159.1158.2-76-76.8000123.6
317S26.9Very low27.2Very low108 Ų108135.8 Ų135.876%0.75580%0.802SS**  trans-114.6-171.2-173.5-420000109.5
318P38.8Very low27.6Very low120 Ų120139.5 Ų139.578%0.77981%0.814SS**  cis-145.4-179.88.744.6-24.6000118.8
319A23.3Very low27.6Very low94 Ų94138 Ų13878%0.77782%0.817SS**  trans68.2137.9144.400000124.9
320A27Very low27.8Very low102 Ų102137.4 Ų137.484%0.84382%0.818SS**  trans70.6146.8155.300000119.4
321S25.8Very low27.9Very low106 Ų106139.4 Ų139.474%0.74182%0.823SS**  cis-155.51382.252.40000115.6
322N27.8Very low28Very low164 Ų164139.9 Ų139.988%0.87782%0.822SS**  trans51.2155.6141.2-73.8-8.1000127
323A27.9Very low27.9Very low91 Ų91136.5 Ų136.575%0.75282%0.815SS**  trans79.3139.916800000117.7
324Q31.3Very low28Very low191 Ų191137.2 Ų137.289%0.89381%0.814SS**  cis-156.4167.9-5.7-130.9172.3-9.500111.6
325L34.3Very low27.9Very low165 Ų165136.6 Ų136.686%0.86481%0.81SS**  trans-102.4160.1-180-80.7167.6000113.8
326P31.6Very low27.9Very low125 Ų125136.3 Ų136.381%0.81281%0.814SS**  trans-127.7179.5148.335.7-22.6000114.7
327L27Very low28.1Very low171 Ų171134.4 Ų134.490%0.89581%0.811SS**  trans-119.2-176.5-154-91.4164.4000117.1
328K33.5Very low28Very low191 Ų191133.4 Ų133.483%0.8381%0.805SS**  trans-80.7151.7-166.7-49.6167.3-176.21720115.9
329S26.3Very low27.3Very low125 Ų125134.7 Ų134.787%0.87481%0.805SS**  trans-174.7157.7148.4-97.40000111.1
330A29.7Very low27.4Very low87 Ų87134.4 Ų134.472%0.71980%0.802SS**  cis-154.1152.5-8.900000111
331L27.6Very low27.3Very low183 Ų183138.7 Ų138.796%0.95881%0.805SS**  trans-120.3135.2151.6-88170.2000106.8
332K27.6Very low27.3Very low192 Ų192139.8 Ų139.884%0.83581%0.807SS**  trans-124.6123.7-174.4-173.1174.7-179.2178.40111.8
333T24.6Very low27.5Very low123 Ų123137.3 Ų137.376%0.75580%0.8SS**  trans-101.7142.6175.6-51.80000110.9
334V25.7Very low27.3Very low123 Ų123140.6 Ų140.675%0.74581%0.805SS**  trans-149.6142.4157.1-1760000105.1
335S23.7Very low27Very low97 Ų97136.7 Ų136.768%0.67880%0.799SS**  cis159.7119.4-29.5-86.70000104.8
336A23.8Very low26.7Very low95 Ų95133.5 Ų133.579%0.78579%0.79SS**  trans22.7137.2161.300000122.5
337I26.9Very low26.5Very low169 Ų169136.3 Ų136.387%0.86779%0.793SS**  -164.3157.8120.6-98.5154.7000108.8
338S23.8Very low26.3Very low88 Ų88133.6 Ų133.662%0.61578%0.783SS**  trans-80.8169.8179500000111.8
339D24.8Very low25.8Very low146 Ų146132.3 Ų132.378%0.78179%0.785SS**  -170.1173.650.8-101.8-62.4000113.5
340A25.8Very low25.6Very low88 Ų88130.8 Ų130.873%0.72777%0.774SS**  trans75.6131.4151.100000123.5
341E24.9Very low25.3Very low193 Ų193133 Ų13390%0.90278%0.782SS**  trans71.1107.2143.6-67-179.4-179.300123.7
342T24.2Very low25.2Very low128 Ų128129 Ų12979%0.78578%0.776SS**  trans-75.9164.7153.352.90000111.7
343P31.9Very low25Very low112 Ų112127.6 Ų127.673%0.72778%0.778SS**  cis-153.3165.836.442.8-21000121.4
344N23.7Very low25.8Very low161 Ų161126.4 Ų126.486%0.86177%0.772SS**  trans13.8121.6147.5-59.1-12.1000122.6
345S26.3Very low25.8Very low109 Ų109127.7 Ų127.776%0.76278%0.775SS**  trans-154.7124135-171.30000106.9
346S26.7Very low26.1Very low98 Ų98131 Ų13169%0.68579%0.785SS**  50.3119.276.6-67.10000111.7
347Q28.8Very low26.3Very low184 Ų184134.2 Ų134.286%0.8678%0.784SS**  cis-152.716522.1-104.7154.73.500115.1
348T22.6Very low26.3Very low114 Ų114133.1 Ų133.170%0.69978%0.779SS**  trans-53.9154.6170.848.50000119.1
349L22.8Very low26.6Very low164 Ų164135.8 Ų135.886%0.85979%0.785SS**  trans68152.6148-67162.1000117.5
350S22.1Very low26.6Very low93 Ų93137.1 Ų137.165%0.6579%0.787SS**  cis-164.9158.2-8.544.90000112.1
351C23.8Very low26.7Very low132 Ų132137.5 Ų137.589%0.89278%0.784SS**  trans23.5126150.4-55.30000121.7
352A24.3Very low27.8Very low100 Ų100133.9 Ų133.983%0.82678%0.778SS**  trans-157114.1148.900000112.8
353D24.1Very low27.8Very low162 Ų162132.9 Ų132.987%0.86678%0.782SS**  trans-98.2173143.1-80.4-51.9000106.7
354P40.7Very low27.6Very low98 Ų98130.8 Ų130.864%0.63678%0.781SS**  cis-137.8-174.710.743.2-24.6000116
355D26.7Very low28.4Very low151 Ų151129.1 Ų129.181%0.80778%0.779SS**  trans39.5126.4145.6-55-23.6000122.7
356N29Very low28.4Very low165 Ų165128.3 Ų128.388%0.88278%0.779SS**  -158.7155.3116.9-131.9-29.3000113.5
357E27.9Very low28.5Very low163 Ų163129 Ų12976%0.76278%0.784SS**  trans-91.1151.9176.8-60.6-174.2107.800112.9
358L27.4Very low29.4Very low147 Ų147125.5 Ų125.577%0.7778%0.777SS**  161.4148.6114-89159.5000114.3
359L29.7Very low29.6Very low143 Ų143125.4 Ų125.475%0.74977%0.772SS**  trans-20.6152164.4-63.7161.2000117.2
360E25.4Very low30Very low174 Ų174125.6 Ų125.681%0.81377%0.766SS**  cis-165.115244.9-150.1168.9-174.200115.6
361S27.3Very low30.3Very low96 Ų96127.8 Ų127.867%0.67178%0.776SS**  trans-11.3173.5153.2-53.60000122.8
362P48Very low30.6Very low118 Ų118130.6 Ų130.677%0.76677%0.773SS**  cis-145.3-173.5-40.141.2-23.3000115.6
363A25.9Very low31.1Very low106 Ų106132.2 Ų132.288%0.87678%0.775SS**  trans70.7155.7162.600000117.9
364G26.5Very low31.7Very low69 Ų69134 Ų13471%0.71178%0.775SS**  cis-153.4-161.112.400000115
365P40.7Very low31.3Very low125 Ų125135.1 Ų135.181%0.81278%0.782SS**  trans-132.4169.3-13543.1-30000119.8
366A26.8Very low31.8Very low93 Ų93138.2 Ų138.277%0.76979%0.788SS**  trans68.4157.4149.500000119.4
367S28.7Very low31.9Very low112 Ų112134 Ų13478%0.78378%0.784SS**  cis-154.5-133.4-13.842.90000112.8
368P46.5Very low32Very low110 Ų110132.9 Ų132.971%0.71479%0.788SS**  -123.3-172.3-106.339-20.4000116.6
369D28.5Very low32.1Very low112 Ų112137.2 Ų137.260%0.59979%0.794SS**  151.6139.2109.2-149.97.4000117.9
370K30Very low32.3Very low169 Ų169137.6 Ų137.674%0.73580%0.795SS**  trans49.3158.7160.9-73.5147.8-160.3154.20121.6
371T27.9Very low32.6Very low138 Ų138134.4 Ų134.485%0.84779%0.792SS**  cis-147.5-178.78.2-19.30000112.9
372K30.2Very low32.8Very low192 Ų192138.3 Ų138.384%0.83580%0.802SS**  trans-121.5161.7-178.4-73175.3174.4165.20112.9
373P36Very low32.1Very low134 Ų134137.2 Ų137.287%0.8780%0.803SS**  -147.2-177.391.737.4-18.2000116.5
374K35.8Very low32.4Very low198 Ų198141.1 Ų141.186%0.86180%0.803SS**  trans-121.8158-178.9-75.4-171175.6-171.40112.7
375P33.6Very low32.9Very low122 Ų122142.4 Ų142.479%0.79280%0.801SS**  trans-100.7175.4143.134.7-26.8000112.7
376K35.9Very low33.2Very low216 Ų216141.6 Ų141.694%0.93980%0.799SS**  trans-113.1146.2-178.2-64.1176.9-179.2175.70111.5
377G31.4Very low34.3Very low76 Ų76145.5 Ų145.578%0.78480%0.801SS**  trans-134.7150.7167.900000110.7
378V30.9Very low35.8Very low140 Ų140142.3 Ų142.385%0.84878%0.777SS**  trans-85.6133-174.9177.20000110.5
379R29.1Very low36.6Very low238 Ų238144.4 Ų144.490%0.89878%0.777SS**  trans-93.6103.2172.2-164.7-179.1-160.2-170.34.6109.4S381R379-S381 PolarHBondContact O-N 3.43Å
380I33.8Very low38.4Very low151 Ų151140.5 Ų140.577%0.77476%0.756SS**  trans-75.4118.8164.3-60.9175.4000106.8M382I380-M382 PolarHBondContact O-N 2.7Å
381S31Very low40.1Very low108 Ų108137.3 Ų137.376%0.75575%0.754SS**  trans-79.8103168.9500000109.1R379R379-S381 PolarHBondContact O-N 3.43Å
382M31.3Very low42.4Very low177 Ų177132.3 Ų132.387%0.87272%0.721SS**  trans-60.7145.9154.8-79175.5148.800108.5I380I380-M382 PolarHBondContact O-N 2.7Å
383A33.4Very low44.9Very low96 Ų96126.4 Ų126.479%0.79370%0.701SS**  trans-65.5141.316900000109.1S385A383-S385 PolarHBondContact O-N 2.91Å
384E32.8Very low47Very low187 Ų187125.2 Ų125.287%0.87469%0.694SS**  trans-66.7103.1171.5-72.6166.7133.100108.7S386E384-S386 PolarHBondContact O-N 3.23Å
385S36.4Very low49.2Very low96 Ų96119.5 Ų119.567%0.67168%0.679SS**  trans-59.4115.5151.850.10000106.5A383 E387A383-S385 PolarHBondContact O-N 2.91Å; S385-E387 PolarHBondContact O-N 3.35Å
386S46.7Very low51.6Low108 Ų108118 Ų11876%0.75566%0.661SS**  trans-59.2100.8179.6-50.50000109.7E384 V388E384-S386 PolarHBondContact O-N 3.23Å; S386-V388 VanDerWaalsContact C-N 3.27Å; S386-V388 PolarHBondContact O-N 3.46Å
387E51Low53.9Low175 Ų175109.2 Ų109.282%0.81862%0.624SS**  trans-68.493170.6-67.8-166.5165.600106.8S385 E389S385-E387 PolarHBondContact O-N 3.35Å; E387-E389 PolarHBondContact O-N 3.42Å
388V60Low56.4Low45 Ų45108.2 Ų108.227%0.27361%0.608SS.*  trans-56.7107.4172.8175.50000107.1L258 L261 R262 S386L258-V388 WeakPolarHBondContact CD2-O 3.42Å; L261-V388 HydrophobicContact CB-CG1 3.87Å; R262-V388 HydrophobicContact CG-CB 4.1Å; R262-V388 HydrophobicContact CG-CG2 3.73Å; S386-V388 VanDerWaalsContact C-N 3.27Å; S386-V388 PolarHBondContact O-N 3.46Å
389E62.3Low59.1Low154 Ų154107.4 Ų107.472%0.7260%0.595SS**  trans-71.9156.5178.8-166.5160.3-152.900109.9E387 C391E387-E389 PolarHBondContact O-N 3.42Å; E389-C391 PolarHBondContact O-N 2.95Å; E389-C391 PolarHBondContact O-SG 3.34Å
390D66.8Low61.9Low31 Ų3196.3 Ų96.317%0.16655%0.554CS.*  trans-8463.4-170.3-163.17.1000110.1R254 R257 L258 M392R254-D390 WeakPolarHBondContact CG-OD2 3.31Å; R254-D390 IonicContact CZ-OD2 3.99Å; R254-D390 IonicContact NE-OD2 3.24Å; R254-D390 PolarHBondContact NE-OD2 2.81Å; R254-D390 VanDerWaalsContact NH2-CB 3.33Å; R254-D390 IonicContact NH2-OD2 3.83Å; R257-D390 IonicContact CZ-OD1 2.73Å; R257-D390 IonicContact CZ-OD2 3.39Å; R257-D390 IonicContact NE-OD1 3.6Å; R257-D390 PolarHBondContact NE-OD1 3.11Å; R257-D390 IonicContact NE-OD2 3.2Å; R257-D390 IonicContact NH2-OD1 2.77Å; R257-D390 PolarHBondContact NH2-OD1 2.91Å; R257-D390 IonicContact NH2-OD2 3.7Å; R257-D390 PolarHBondContact NH2-OD2 3.14Å; L258-D390 HydrophobicContact CD2-CB 4Å; D390-M392 PolarHBondContact O-N 2.83Å; D390-M392 VanDerWaalsContact O-N 3.15Å
391C66.8Low64.4Low102 Ų10292.2 Ų92.269%0.68953%0.531SS*.  trans-730.3-166.1-62.10000115.5E389E389-C391 PolarHBondContact O-N 2.95Å; E389-C391 PolarHBondContact O-SG 3.34Å
392M74.9Confident67.1Low33 Ų3390.5 Ų90.516%0.16351%0.513CS..  trans-71.1133.5-179.8-73.8176.4151.600111.6R257 Y260 L261 D390 E396 I397 W400R257-M392 VanDerWaalsContact CD-SD 3.57Å; R257-M392 HydrophobicContact CG-SD 3.61Å; Y260-M392 HydrophobicContact CD1-CE 3.82Å; Y260-M392 HydrophobicContact CE1-CE 3.66Å; L261-M392 HydrophobicContact CD1-CG 4.24Å; L261-M392 HydrophobicContact CD1-SD 4.36Å; L261-M392 HydrophobicContact CD2-CE 3.96Å; L261-M392 HydrophobicContact CD2-CG 4.02Å; L261-M392 HydrophobicContact CD2-SD 4.29Å; L261-M392 HydrophobicContact CG-CE 4.38Å; L261-M392 HydrophobicContact CG-SD 4.37Å; D390-M392 PolarHBondContact O-N 2.83Å; D390-M392 VanDerWaalsContact O-N 3.15Å; M392-E396 HydrophobicContact CB-CB 4.21Å; M392-E396 HydrophobicContact CG-CB 4.35Å; M392-I397 HydrophobicContact CB-CD1 4.39Å; M392-I397 HydrophobicContact CB-CG1 3.73Å; M392-W400 HydrophobicContact CE-CB 4.29Å; M392-W400 HydrophobicContact CE-CG 4.35Å
393T82.3Confident69.8Low67 Ų6787.1 Ų87.141%0.41150%0.496SS..  trans-68.8160.1169.264.90000111.3S395 E396 I397T393-S395 PolarHBondContact O-N 3.07Å; T393-S395 VanDerWaalsContact O-N 3.1Å; T393-E396 VanDerWaalsContact CB-OE2 3.26Å; T393-E396 WeakPolarHBondContact CB-OE2 3.47Å; T393-E396 VanDerWaalsContact CG2-OE2 3.32Å; T393-E396 WeakPolarHBondContact CG2-OE2 3.42Å; T393-E396 PolarHBondContact N-OE2 3.24Å; T393-E396 PolarHBondContact O-N 3.44Å; T393-E396 VanDerWaalsContact O-N 3.11Å; T393-E396 VanDerWaalsContact OG1-CD 3.28Å; T393-E396 WeakPolarHBondContact OG1-CG 3.42Å; T393-E396 PolarHBondContact OG1-N 2.85Å; T393-E396 PolarHBondContact OG1-OE2 2.98Å; T393-I397 WeakPolarHBondContact O-CG1 3.48Å; T393-I397 PolarHBondContact O-N 2.93Å
394P81.6Confident72.3Confident109 Ų10983.3 Ų83.371%0.70846%0.461SS*.Hα-helixtrans-55.9-27.9177.8-28.136.7000114.9A398P394-A398 PolarHBondContact O-N 3.33Å; P394-A398 VanDerWaalsContact O-N 3.17Å
395S82.1Confident75Confident78 Ų7875 Ų7555%0.54542%0.422SS..Hα-helixtrans-72.2-48.3175-53.40000111.8T393 I397 A398 E399T393-S395 PolarHBondContact O-N 3.07Å; T393-S395 VanDerWaalsContact O-N 3.1Å; S395-I397 VanDerWaalsContact C-N 3.26Å; S395-I397 PolarHBondContact O-N 3.44Å; S395-A398 PolarHBondContact O-N 3.26Å; S395-A398 VanDerWaalsContact O-N 3.09Å; S395-E399 WeakPolarHBondContact O-CG 3.49Å; S395-E399 PolarHBondContact O-N 3.28Å
396E83.9Confident77.5Confident91 Ų9175 Ų7543%0.42542%0.415SS..Hα-helixtrans-64.7-32.3177.4-66.4159.2136.500111.5M392 T393 W400M392-E396 HydrophobicContact CB-CB 4.21Å; M392-E396 HydrophobicContact CG-CB 4.35Å; T393-E396 VanDerWaalsContact CB-OE2 3.26Å; T393-E396 WeakPolarHBondContact CB-OE2 3.47Å; T393-E396 VanDerWaalsContact CG2-OE2 3.32Å; T393-E396 WeakPolarHBondContact CG2-OE2 3.42Å; T393-E396 PolarHBondContact N-OE2 3.24Å; T393-E396 PolarHBondContact O-N 3.44Å; T393-E396 VanDerWaalsContact O-N 3.11Å; T393-E396 VanDerWaalsContact OG1-CD 3.28Å; T393-E396 WeakPolarHBondContact OG1-CG 3.42Å; T393-E396 PolarHBondContact OG1-N 2.85Å; T393-E396 PolarHBondContact OG1-OE2 2.98Å; E396-W400 VanDerWaalsContact O-CB 3.26Å; E396-W400 WeakPolarHBondContact O-CB 3.36Å; E396-W400 PolarHBondContact O-N 3.05Å
397I83.2Confident79.5Confident31 Ų3173.4 Ų73.416%0.15940%0.396CS..Hα-helixtrans-61-50.2169.7-69.3169.9000110.3M392 T393 S395 E399 W400 E401M392-I397 HydrophobicContact CB-CD1 4.39Å; M392-I397 HydrophobicContact CB-CG1 3.73Å; T393-I397 WeakPolarHBondContact O-CG1 3.48Å; T393-I397 PolarHBondContact O-N 2.93Å; S395-I397 VanDerWaalsContact C-N 3.26Å; S395-I397 PolarHBondContact O-N 3.44Å; I397-E399 PolarHBondContact O-N 3.2Å; I397-W400 PolarHBondContact O-N 3.28Å; I397-E401 HydrophobicContact CG2-CG 4.25Å; I397-E401 VanDerWaalsContact CG2-OE1 3.28Å; I397-E401 WeakPolarHBondContact CG2-OE1 3.18Å; I397-E401 WeakPolarHBondContact O-CB 3.45Å; I397-E401 VanDerWaalsContact O-CG 3.31Å; I397-E401 WeakPolarHBondContact O-CG 3.27Å; I397-E401 PolarHBondContact O-N 3.26Å
398A84.2Confident81.4Confident55 Ų5570.6 Ų70.646%0.45539%0.386SS..Hα-helixtrans-63.5-40-179.900000112.5P394 S395 E401 D402P394-A398 PolarHBondContact O-N 3.33Å; P394-A398 VanDerWaalsContact O-N 3.17Å; S395-A398 PolarHBondContact O-N 3.26Å; S395-A398 VanDerWaalsContact O-N 3.09Å; A398-E401 PolarHBondContact O-N 2.88Å; A398-D402 WeakPolarHBondContact O-CB 3.32Å; A398-D402 PolarHBondContact O-N 3.41Å
399E87.1Confident82.7Confident124 Ų12468.9 Ų68.958%0.57938%0.375SS*.Hα-helixtrans-66-36.6175.1-70.8175.6-161.300112.5S395 I397 Q403S395-E399 WeakPolarHBondContact O-CG 3.49Å; S395-E399 PolarHBondContact O-N 3.28Å; I397-E399 PolarHBondContact O-N 3.2Å; E399-Q403 VanDerWaalsContact O-CG 3.28Å; E399-Q403 WeakPolarHBondContact O-CG 3.23Å; E399-Q403 PolarHBondContact O-N 3.16Å; E399-Q403 PolarHBondContact O-NE2 2.89Å
400W87.6Confident83.8Confident5 Ų564.6 Ų64.62%0.01936%0.358CS..Hα-helixtrans-70.9-41173.9176.585.9000112.4Q251 R256 R257 Y260 M392 E396 I397 Q403 Q404Q251-W400 WeakPolarHBondContact O-CH2 3.11Å; R256-W400 HydrophobicContact CB-CH2 3.91Å; R256-W400 HydrophobicContact CB-CZ2 4.12Å; R257-W400 HydrophobicContact CB-CE3 4.35Å; R257-W400 HydrophobicContact CB-CH2 3.82Å; R257-W400 HydrophobicContact CB-CZ2 4.02Å; R257-W400 HydrophobicContact CB-CZ3 4Å; R257-W400 HydrophobicContact CG-CD2 4.3Å; R257-W400 HydrophobicContact CG-CE3 4.28Å; R257-W400 HydrophobicContact CG-CZ3 4.42Å; Y260-W400 AromaticContact CD1-CD1 3.47Å; Y260-W400 VanDerWaalsContact CD1-CD1 3.47Å; Y260-W400 AromaticContact CD1-NE1 3.42Å; Y260-W400 AromaticContact CD2-NE1 3.8Å; Y260-W400 AromaticContact CE1-CD1 3.59Å; Y260-W400 AromaticContact CE1-NE1 3.98Å; Y260-W400 AromaticContact CG-CD1 3.82Å; Y260-W400 AromaticContact CG-NE1 3.31Å; Y260-W400 VanDerWaalsContact CG-NE1 3.31Å; M392-W400 HydrophobicContact CE-CB 4.29Å; M392-W400 HydrophobicContact CE-CG 4.35Å; E396-W400 VanDerWaalsContact O-CB 3.26Å; E396-W400 WeakPolarHBondContact O-CB 3.36Å; E396-W400 PolarHBondContact O-N 3.05Å; I397-W400 PolarHBondContact O-N 3.28Å; W400-Q403 PolarHBondContact O-N 3.41Å; W400-Q404 HydrophobicContact CD2-CG 3.96Å; W400-Q404 HydrophobicContact CE3-CG 4.08Å; W400-Q404 HydrophobicContact CH2-CG 3.68Å; W400-Q404 HydrophobicContact CZ2-CG 3.54Å; W400-Q404 HydrophobicContact CZ3-CG 3.95Å; W400-Q404 WeakPolarHBondContact O-CG 3.29Å; W400-Q404 PolarHBondContact O-N 2.94Å
401E87.6Confident84.7Confident64 Ų6464 Ų6430%0.29935%0.354SS..Hα-helixtrans-62.5-42.6176.5-74.7-178.2-169.800111L252 I397 A398 Q403 Q404 L405L252-E401 HydrophobicContact CD2-CB 3.83Å; L252-E401 HydrophobicContact CD2-CG 3.78Å; I397-E401 HydrophobicContact CG2-CG 4.25Å; I397-E401 VanDerWaalsContact CG2-OE1 3.28Å; I397-E401 WeakPolarHBondContact CG2-OE1 3.18Å; I397-E401 WeakPolarHBondContact O-CB 3.45Å; I397-E401 VanDerWaalsContact O-CG 3.31Å; I397-E401 WeakPolarHBondContact O-CG 3.27Å; I397-E401 PolarHBondContact O-N 3.26Å; A398-E401 PolarHBondContact O-N 2.88Å; E401-Q403 VanDerWaalsContact C-N 3.34Å; E401-Q403 PolarHBondContact O-N 3.21Å; E401-Q404 PolarHBondContact O-N 3.02Å; E401-Q404 VanDerWaalsContact O-N 3.09Å; E401-L405 WeakPolarHBondContact O-CG 3.44Å; E401-L405 PolarHBondContact O-N 3.15Å
402D87.3Confident85.4Confident72 Ų7267.1 Ų67.139%0.38536%0.355SS..Hα-helixtrans-61.8-40.9175.1-154.767.1000111.9R210 A398 Q404 L405 D406R210-D402 IonicContact CZ-OD1 3.78Å; R210-D402 IonicContact CZ-OD2 2.8Å; R210-D402 IonicContact NH1-OD1 2.7Å; R210-D402 PolarHBondContact NH1-OD1 3.1Å; R210-D402 IonicContact NH1-OD2 3.69Å; R210-D402 IonicContact NH2-OD1 3.94Å; R210-D402 PolarHBondContact NH2-OD1 3.44Å; R210-D402 IonicContact NH2-OD2 3.32Å; R210-D402 PolarHBondContact NH2-OD2 3.17Å; A398-D402 WeakPolarHBondContact O-CB 3.32Å; A398-D402 PolarHBondContact O-N 3.41Å; D402-Q404 VanDerWaalsContact C-N 3.33Å; D402-Q404 PolarHBondContact O-N 2.9Å; D402-L405 WeakPolarHBondContact O-CB 3.35Å; D402-L405 PolarHBondContact O-N 3.4Å; D402-L405 VanDerWaalsContact O-N 3.16Å; D402-D406 PolarHBondContact O-N 3.49Å
403Q87.5Confident85.5Confident107 Ų10772.9 Ų72.950%0.539%0.387SS..Hα-helixtrans-67.3-26.3172.6-71.316958.300114E399 W400 E401E399-Q403 VanDerWaalsContact O-CG 3.28Å; E399-Q403 WeakPolarHBondContact O-CG 3.23Å; E399-Q403 PolarHBondContact O-N 3.16Å; E399-Q403 PolarHBondContact O-NE2 2.89Å; W400-Q403 PolarHBondContact O-N 3.41Å; E401-Q403 VanDerWaalsContact C-N 3.34Å; E401-Q403 PolarHBondContact O-N 3.21Å
404Q86.4Confident85.5Confident16 Ų1670.4 Ų70.48%0.07537%0.372CS..Hα-helixtrans-76.7-32.7170-62-41.7-81.300111.6L252 W400 E401 D402 D406 Q407L252-Q404 HydrophobicContact CD2-CB 4.49Å; W400-Q404 HydrophobicContact CD2-CG 3.96Å; W400-Q404 HydrophobicContact CE3-CG 4.08Å; W400-Q404 HydrophobicContact CH2-CG 3.68Å; W400-Q404 HydrophobicContact CZ2-CG 3.54Å; W400-Q404 HydrophobicContact CZ3-CG 3.95Å; W400-Q404 WeakPolarHBondContact O-CG 3.29Å; W400-Q404 PolarHBondContact O-N 2.94Å; E401-Q404 PolarHBondContact O-N 3.02Å; E401-Q404 VanDerWaalsContact O-N 3.09Å; D402-Q404 VanDerWaalsContact C-N 3.33Å; D402-Q404 PolarHBondContact O-N 2.9Å; Q404-D406 VanDerWaalsContact C-N 3.33Å; Q404-D406 PolarHBondContact O-N 3.4Å; Q404-Q407 WeakPolarHBondContact O-CB 3.23Å; Q404-Q407 PolarHBondContact O-N 3.44Å
405L89Confident85.8Confident11 Ų1173.3 Ų73.36%0.05837%0.374CS..Hα-helixtrans-65.6-33.9179.9-72.8169.2000112.5Y209 R210 Q213 L248 E401 D402 Q407Y209-L405 CarbonylContact C-O 3.59Å; Y209-L405 WeakPolarHBondContact CA-O 3.4Å; Y209-L405 WeakPolarHBondContact CB-O 3.37Å; Y209-L405 PolarHBondContact N-O 2.91Å; Y209-L405 VanDerWaalsContact N-O 3.09Å; R210-L405 HydrophobicContact CB-CB 4.09Å; R210-L405 PolarHBondContact N-O 3.36Å; Q213-L405 HydrophobicContact CB-CD2 4.25Å; L248-L405 HydrophobicContact CD1-CD2 3.86Å; E401-L405 WeakPolarHBondContact O-CG 3.44Å; E401-L405 PolarHBondContact O-N 3.15Å; D402-L405 WeakPolarHBondContact O-CB 3.35Å; D402-L405 PolarHBondContact O-N 3.4Å; D402-L405 VanDerWaalsContact O-N 3.16Å; L405-Q407 PolarHBondContact O-N 2.85Å
406D89.4Confident86.1Confident96 Ų9672.2 Ų72.251%0.51336%0.361SS..THydrogen-bonded Turntrans-75.2-4.8176.3-73.3-33.2000114.7R210 D402 Q404R210-D406 IonicContact CZ-OD1 3.97Å; R210-D406 VanDerWaalsContact CZ-OD1 3.32Å; R210-D406 IonicContact CZ-OD2 3.67Å; R210-D406 IonicContact NE-OD1 3.17Å; R210-D406 PolarHBondContact NE-OD1 2.85Å; R210-D406 IonicContact NE-OD2 3.74Å; R210-D406 IonicContact NH2-OD1 3.91Å; R210-D406 PolarHBondContact NH2-OD1 2.91Å; R210-D406 VanDerWaalsContact NH2-OD1 3.1Å; R210-D406 IonicContact NH2-OD2 2.75Å; R210-D406 PolarHBondContact NH2-OD2 3.46Å; D402-D406 PolarHBondContact O-N 3.49Å; Q404-D406 VanDerWaalsContact C-N 3.33Å; Q404-D406 PolarHBondContact O-N 3.4Å
407Q89.1Confident86.3Confident75 Ų7571.1 Ų71.135%0.3536%0.358SS..SBendtrans-73.6150.7172.8-66.8175.837.100111.9S208 Y209 Q404 L405S208-Q407 CarbonylContact C-O 3.55Å; S208-Q407 WeakPolarHBondContact CA-O 3.46Å; Y209-Q407 HydrophobicContact CD2-CB 4.32Å; Y209-Q407 WeakPolarHBondContact CD2-O 3.33Å; Y209-Q407 PolarHBondContact N-O 3.01Å; Q404-Q407 WeakPolarHBondContact O-CB 3.23Å; Q404-Q407 PolarHBondContact O-N 3.44Å; L405-Q407 PolarHBondContact O-N 2.85Å
408L90.4Very high86.4Confident116 Ų11674.5 Ų74.561%0.60738%0.382SS*.BIsolated β-bridgetrans-69.3144.1173.3-61179.4000111.4N206 Y209 D410N206-L408 WeakPolarHBondContact O-CD2 3.3Å; Y209-L408 WeakPolarHBondContact CE2-O 3.44Å; L408-D410 PolarHBondContact O-N 3.36Å
409V87.6Confident86.2Confident9 Ų975.4 Ų75.46%0.05539%0.39CS..PPolyproline II helixtrans-70.7120.7-179.1179.30000111.7S207 Y209 L212 L247 F411S207-V409 WeakPolarHBondContact O-CG2 3.32Å; S207-V409 PolarHBondContact O-N 2.96Å; Y209-V409 HydrophobicContact CD1-CG2 3.84Å; Y209-V409 HydrophobicContact CD2-CG2 4.21Å; Y209-V409 HydrophobicContact CE1-CB 4.26Å; Y209-V409 HydrophobicContact CE1-CG1 3.97Å; Y209-V409 HydrophobicContact CE1-CG2 3.86Å; Y209-V409 HydrophobicContact CE2-CB 4.37Å; Y209-V409 HydrophobicContact CE2-CG2 4.23Å; Y209-V409 HydrophobicContact CG-CG2 4Å; L212-V409 HydrophobicContact CB-CG2 4.49Å; L212-V409 HydrophobicContact CD2-CG2 4.33Å; L247-V409 HydrophobicContact CD1-CG1 4.48Å; V409-F411 HydrophobicContact CB-CD2 4.23Å; V409-F411 HydrophobicContact CB-CE1 4.36Å; V409-F411 HydrophobicContact CB-CE2 3.66Å; V409-F411 HydrophobicContact CB-CZ 3.74Å; V409-F411 HydrophobicContact CG1-CD1 3.95Å; V409-F411 HydrophobicContact CG1-CD2 4.05Å; V409-F411 HydrophobicContact CG1-CE1 3.65Å; V409-F411 HydrophobicContact CG1-CE2 3.76Å; V409-F411 HydrophobicContact CG1-CG 4.14Å; V409-F411 HydrophobicContact CG1-CZ 3.55Å; V409-F411 HydrophobicContact CG2-CZ 4.5Å; V409-F411 VanDerWaalsContact O-CD2 3.23Å; V409-F411 WeakPolarHBondContact O-CD2 3.42Å; V409-F411 PolarHBondContact O-N 3.38Å
410D85.6Confident86.2Confident65 Ų6569.9 Ų69.935%0.34837%0.365SS..  trans-81.999170.7-164.1-17.7000110.7Y209 L408 K412Y209-D410 PolarHBondContact OH-N 3.15Å; Y209-D410 VanDerWaalsContact OH-N 3.11Å; L408-D410 PolarHBondContact O-N 3.36Å; D410-K412 VanDerWaalsContact C-N 3.31Å; D410-K412 PolarHBondContact O-N 3.4Å; D410-K412 VanDerWaalsContact OD1-CB 3.29Å; D410-K412 WeakPolarHBondContact OD1-CB 3.28Å; D410-K412 VanDerWaalsContact OD1-CD 3.28Å; D410-K412 WeakPolarHBondContact OD1-CD 3.48Å; D410-K412 WeakPolarHBondContact OD1-CE 3.2Å; D410-K412 WeakPolarHBondContact OD1-CG 3.24Å; D410-K412 PolarHBondContact OD1-N 3.31Å; D410-K412 IonicContact OD1-NZ 3.35Å; D410-K412 PolarHBondContact OD1-NZ 2.96Å; D410-K412 IonicContact OD2-NZ 2.71Å; D410-K412 PolarHBondContact OD2-NZ 3.49Å
411F84.9Confident86.2Confident19 Ų1975 Ų758%0.08339%0.387CS..G310 helixtrans-77.7-4.7179.1-65.7-80.1000114.6I203 L205 L226 I239 V409 N413 C414 I416I203-F411 HydrophobicContact CG2-CE1 4.32Å; I203-F411 HydrophobicContact CG2-CZ 3.84Å; L205-F411 HydrophobicContact CD2-CD2 4.35Å; L226-F411 HydrophobicContact CD1-CE1 4.22Å; L226-F411 HydrophobicContact CD1-CZ 4.22Å; I239-F411 HydrophobicContact CD1-CD1 3.93Å; I239-F411 HydrophobicContact CD1-CE1 3.82Å; V409-F411 HydrophobicContact CB-CD2 4.23Å; V409-F411 HydrophobicContact CB-CE1 4.36Å; V409-F411 HydrophobicContact CB-CE2 3.66Å; V409-F411 HydrophobicContact CB-CZ 3.74Å; V409-F411 HydrophobicContact CG1-CD1 3.95Å; V409-F411 HydrophobicContact CG1-CD2 4.05Å; V409-F411 HydrophobicContact CG1-CE1 3.65Å; V409-F411 HydrophobicContact CG1-CE2 3.76Å; V409-F411 HydrophobicContact CG1-CG 4.14Å; V409-F411 HydrophobicContact CG1-CZ 3.55Å; V409-F411 HydrophobicContact CG2-CZ 4.5Å; V409-F411 VanDerWaalsContact O-CD2 3.23Å; V409-F411 WeakPolarHBondContact O-CD2 3.42Å; V409-F411 PolarHBondContact O-N 3.38Å; F411-N413 PolarHBondContact O-N 3.41Å; F411-C414 HydrophobicContact CB-CB 4.47Å; F411-C414 HydrophobicContact CD1-CB 4.46Å; F411-C414 WeakPolarHBondContact O-CB 3.41Å; F411-C414 PolarHBondContact O-N 3.41Å; F411-I416 HydrophobicContact CB-CD1 4.49Å
412K81.6Confident86.4Confident167 Ų16776.3 Ų76.373%0.72639%0.393SS*.G310 helixtrans-58.3-33.7-175.4-68.1166.5-151.8130.40113.8D410 C414D410-K412 VanDerWaalsContact C-N 3.31Å; D410-K412 PolarHBondContact O-N 3.4Å; D410-K412 VanDerWaalsContact OD1-CB 3.29Å; D410-K412 WeakPolarHBondContact OD1-CB 3.28Å; D410-K412 VanDerWaalsContact OD1-CD 3.28Å; D410-K412 WeakPolarHBondContact OD1-CD 3.48Å; D410-K412 WeakPolarHBondContact OD1-CE 3.2Å; D410-K412 WeakPolarHBondContact OD1-CG 3.24Å; D410-K412 PolarHBondContact OD1-N 3.31Å; D410-K412 IonicContact OD1-NZ 3.35Å; D410-K412 PolarHBondContact OD1-NZ 2.96Å; D410-K412 IonicContact OD2-NZ 2.71Å; D410-K412 PolarHBondContact OD2-NZ 3.49Å; K412-C414 VanDerWaalsContact C-N 3.34Å
413N77.2Confident86.7Confident153 Ų15373.2 Ų73.282%0.81838%0.377SS*.G310 helixtrans-94.611.8179-66.2-12000112.6F411F411-N413 PolarHBondContact O-N 3.41Å
414C82.9Confident86.9Confident16 Ų1672.6 Ų72.611%0.10838%0.38CS..SBendtrans-97.7134.3-179.9-162.30000111.1I239 L247 F411 K412 I416I239-C414 WeakPolarHBondContact CG2-SG 3.21Å; L247-C414 HydrophobicContact CD1-CB 3.97Å; F411-C414 HydrophobicContact CB-CB 4.47Å; F411-C414 HydrophobicContact CD1-CB 4.46Å; F411-C414 WeakPolarHBondContact O-CB 3.41Å; F411-C414 PolarHBondContact O-N 3.41Å; K412-C414 VanDerWaalsContact C-N 3.34Å; C414-I416 VanDerWaalsContact C-N 3.33Å; C414-I416 HydrophobicContact CB-CG1 4.45Å; C414-I416 PolarHBondContact O-N 2.95Å; C414-I416 VanDerWaalsContact O-N 3.11Å
415K86.7Confident87.2Confident170 Ų17073.4 Ų73.474%0.73938%0.384SS*.  trans-88.976.6175.6-171.1-167.4173.7-171.40109.5Q243Q243-K415 PolarHBondContact NE2-O 3.21Å; Q243-K415 VanDerWaalsContact OE1-CA 3.31Å; Q243-K415 PolarHBondContact OE1-O 3.06Å
416I89.2Confident87.2Confident55 Ų5577.4 Ų77.428%0.28240%0.402SS..  trans-62.4133.6170.3-55.1161.7000108.9L226 I239 F411 C414 P418L226-I416 HydrophobicContact CD2-CD1 3.7Å; L226-I416 HydrophobicContact CD2-CG1 4.14Å; L226-I416 HydrophobicContact CD2-CG2 4.02Å; I239-I416 HydrophobicContact CD1-CG1 4.06Å; I239-I416 HydrophobicContact CG1-CG1 4.03Å; I239-I416 HydrophobicContact CG1-CG2 4.42Å; F411-I416 HydrophobicContact CB-CD1 4.49Å; C414-I416 VanDerWaalsContact C-N 3.33Å; C414-I416 HydrophobicContact CB-CG1 4.45Å; C414-I416 PolarHBondContact O-N 2.95Å; C414-I416 VanDerWaalsContact O-N 3.11Å; I416-P418 WeakPolarHBondContact O-CD 3.46Å
417D88.2Confident87.3Confident68 Ų6873.9 Ų73.936%0.36438%0.384SS..BIsolated β-bridgetrans-85.4112.6162.716529000108.7G237 S238 A419 P420G237-D417 CarbonylContact C-O 3.6Å; G237-D417 WeakPolarHBondContact CA-O 3.44Å; S238-D417 PolarHBondContact N-O 3.33Å; S238-D417 PolarHBondContact O-N 3.48Å; D417-A419 VanDerWaalsContact C-N 3.32Å; D417-A419 PolarHBondContact OD1-N 3.49Å; D417-P420 WeakPolarHBondContact OD2-CA 3.46Å
418P84.8Confident87.3Confident101 Ų10172.2 Ų72.266%0.65638%0.381SS*.SBendtrans-81.1-8.9-178.434.8-36.8000113.5I416I416-P418 WeakPolarHBondContact O-CD 3.46Å
419A80.9Confident87.2Confident75 Ų7566.7 Ų66.762%0.6235%0.352SS*.  trans-126.648.1-173.700000113.4D417D417-A419 VanDerWaalsContact C-N 3.32Å; D417-A419 PolarHBondContact OD1-N 3.49Å
420P85.3Confident87.1Confident8 Ų867.7 Ų67.75%0.05236%0.356CS..  trans-65145.917732.3-37.8000110L235 D417 Q422 Y445L235-P420 HydrophobicContact CD2-CG 4.3Å; D417-P420 WeakPolarHBondContact OD2-CA 3.46Å; P420-Q422 VanDerWaalsContact O-CG 3.25Å; P420-Q422 WeakPolarHBondContact O-CG 3.44Å; P420-Q422 PolarHBondContact O-N 3.44Å; P420-Q422 VanDerWaalsContact O-N 3.14Å; P420-Y445 HydrophobicContact CB-CD2 3.91Å; P420-Y445 HydrophobicContact CB-CE2 3.91Å; P420-Y445 HydrophobicContact CG-CD2 4.29Å; P420-Y445 HydrophobicContact CG-CE2 4.48Å
421F88.6Confident87.2Confident112 Ų11271.1 Ų71.149%0.49137%0.368SS..  trans-59.3119.8-176.3-72.9-77.9000112.6L439 L441 A444 Y445F421-L439 HydrophobicContact CD1-CD1 4.05Å; F421-L439 HydrophobicContact CE1-CD1 3.65Å; F421-L439 HydrophobicContact CZ-CD1 4.24Å; F421-L441 HydrophobicContact CB-CD1 3.85Å; F421-L441 HydrophobicContact CB-CD2 4.5Å; F421-L441 HydrophobicContact CD1-CD1 4.31Å; F421-L441 HydrophobicContact CD1-CD2 4.49Å; F421-L441 HydrophobicContact CD2-CD1 4.26Å; F421-L441 HydrophobicContact CD2-CD2 3.39Å; F421-L441 HydrophobicContact CD2-CG 4.49Å; F421-L441 HydrophobicContact CE2-CD2 3.62Å; F421-L441 HydrophobicContact CG-CD1 3.87Å; F421-L441 HydrophobicContact CG-CD2 3.87Å; F421-L441 HydrophobicContact CZ-CD2 4.28Å; F421-A444 HydrophobicContact CB-CB 4.44Å; F421-Y445 PolarHBondContact O-N 3.29Å
422Q91.9Very high87.5Confident91 Ų9170.2 Ų70.243%0.42536%0.364SS..EExtended strand (participates in β ladder)trans-106.7146.2179.1-50.1-167.117.200111.2L235 P420 Y445 T447L235-Q422 HydrophobicContact CD2-CG 4.17Å; P420-Q422 VanDerWaalsContact O-CG 3.25Å; P420-Q422 WeakPolarHBondContact O-CG 3.44Å; P420-Q422 PolarHBondContact O-N 3.44Å; P420-Q422 VanDerWaalsContact O-N 3.14Å; Q422-Y445 CarbonylContact C-O 3.52Å; Q422-Y445 VanDerWaalsContact CA-O 3.3Å; Q422-Y445 WeakPolarHBondContact CA-O 3.43Å; Q422-T447 HydrophobicContact CG-CG2 4.37Å; Q422-T447 VanDerWaalsContact OE1-CG2 3.3Å; Q422-T447 PolarHBondContact OE1-OG1 2.88Å
423L93.1Very high87.8Confident8 Ų862.8 Ų62.84%0.04233%0.332CS..EExtended strand (participates in β ladder)trans-122.3143.1172.2-69.3174.6000110.3V192 T432 I435 F436 A444 Y445 V446 T447V192-L423 HydrophobicContact CG1-CB 4.48Å; V192-L423 HydrophobicContact CG2-CD1 4.17Å; L423-T432 HydrophobicContact CD1-CG2 3.75Å; L423-I435 HydrophobicContact CD2-CD1 3.82Å; L423-I435 HydrophobicContact CD2-CG2 4.44Å; L423-F436 HydrophobicContact CD1-CE2 4.13Å; L423-A444 HydrophobicContact CD1-CB 3.86Å; L423-A444 HydrophobicContact CG-CB 4.01Å; L423-Y445 PolarHBondContact N-O 3.47Å; L423-V446 WeakPolarHBondContact O-CA 3.45Å; L423-V446 WeakPolarHBondContact O-CG1 3.21Å; L423-T447 PolarHBondContact O-N 3.5Å
424V92.9Very high88.4Confident93 Ų9358.1 Ų58.156%0.56431%0.308SS*.EExtended strand (participates in β ladder)trans-80.5136.5169.1-176.30000108.9Q426 T427V424-Q426 HydrophobicContact CG1-CB 4.43Å; V424-Q426 PolarHBondContact O-N 3.29Å; V424-Q426 VanDerWaalsContact O-N 3.09Å; V424-T427 VanDerWaalsContact O-CB 3.22Å; V424-T427 WeakPolarHBondContact O-CB 3.17Å; V424-T427 PolarHBondContact O-N 3.16Å; V424-T427 PolarHBondContact O-OG1 2.85Å
425E92Very high88.7Confident33 Ų3360 Ų6015%0.15432%0.317CS..THydrogen-bonded Turntrans-49.3-36.5179.9-64.6174.5126.600113.9V192 E193 M196 T427 V446 S448 V453V192-E425 WeakPolarHBondContact CB-O 3.39Å; V192-E425 PolarHBondContact N-O 2.94Å; E193-E425 HydrophobicContact CB-CB 4.27Å; E193-E425 PolarHBondContact N-O 3.27Å; M196-E425 HydrophobicContact CE-CG 4.44Å; E425-T427 VanDerWaalsContact C-N 3.28Å; E425-T427 PolarHBondContact O-N 3.36Å; E425-V446 HydrophobicContact CB-CG1 4.37Å; E425-V446 HydrophobicContact CG-CG1 3.61Å; E425-S448 WeakPolarHBondContact OE2-CB 3.21Å; E425-S448 PolarHBondContact OE2-OG 3.07Å; E425-V453 WeakPolarHBondContact OE1-CG1 3.46Å
426Q89.4Confident88.9Confident95 Ų9552 Ų5244%0.44428%0.282SS..THydrogen-bonded Turntrans-81.84.9-179.2-66.8-61-42.300114.5E193 V424E193-Q426 PolarHBondContact OE1-NE2 2.92Å; E193-Q426 PolarHBondContact OE2-NE2 3.5Å; V424-Q426 HydrophobicContact CG1-CB 4.43Å; V424-Q426 PolarHBondContact O-N 3.29Å; V424-Q426 VanDerWaalsContact O-N 3.09Å
427T91Very high88.9Confident23 Ų2352.5 Ų52.514%0.14129%0.29CS..  trans-68.3131.9175.6-530000109.8R191 V192 V424 E425 K431 T432R191-T427 CarbonylContact C-O 3.38Å; R191-T427 WeakPolarHBondContact CA-O 3.22Å; V192-T427 PolarHBondContact N-O 3.48Å; V424-T427 VanDerWaalsContact O-CB 3.22Å; V424-T427 WeakPolarHBondContact O-CB 3.17Å; V424-T427 PolarHBondContact O-N 3.16Å; V424-T427 PolarHBondContact O-OG1 2.85Å; E425-T427 VanDerWaalsContact C-N 3.28Å; E425-T427 PolarHBondContact O-N 3.36Å; T427-K431 HydrophobicContact CG2-CB 3.61Å; T427-T432 WeakPolarHBondContact CG2-OG1 3.45Å
428S89.4Confident88.9Confident40 Ų4056 Ų5628%0.2831%0.308SS..BIsolated β-bridgetrans-76150.6178.761.90000112.2H430 K431 T432S428-H430 PolarHBondContact O-N 2.81Å; S428-K431 PolarHBondContact O-N 3.31Å; S428-T432 PolarHBondContact O-N 2.95Å; S428-T432 PolarHBondContact O-OG1 3.05Å
429L87.5Confident89.1Confident0 Ų055.7 Ų55.70%030%0.301CS..Hα-helixtrans-47.9-39.6-179.2-174.267.8000113.3Y188 I190 I195 T432 H433 L461 A464 I465Y188-L429 HydrophobicContact CD1-CD2 3.93Å; Y188-L429 HydrophobicContact CE1-CD2 4.3Å; I190-L429 HydrophobicContact CB-CB 4.29Å; I190-L429 HydrophobicContact CB-CD2 4.45Å; I190-L429 HydrophobicContact CD1-CD2 4.46Å; I190-L429 HydrophobicContact CG2-CB 4.41Å; I190-L429 HydrophobicContact CG2-CD2 4.46Å; I190-L429 PolarHBondContact O-N 2.94Å; I195-L429 HydrophobicContact CD1-CD1 3.94Å; L429-T432 PolarHBondContact O-N 3.39Å; L429-H433 WeakPolarHBondContact O-CB 3.4Å; L429-H433 PolarHBondContact O-N 3.08Å; L429-L461 HydrophobicContact CD1-CD1 3.67Å; L429-A464 HydrophobicContact CD1-CB 3.83Å; L429-A464 HydrophobicContact CD2-CB 4.47Å; L429-I465 HydrophobicContact CD1-CG1 4.39Å; L429-I465 HydrophobicContact CD2-CG1 4.06Å; L429-I465 HydrophobicContact CG-CG1 4.29Å
430H85.4Confident89.4Confident29 Ų2955.2 Ų55.213%0.13430%0.303CS..Hα-helixtrans-68-41.3177.5-171.8-45.3000113L180 H185 S428 T432 H433 T434L180-H430 HydrophobicContact CD1-CB 4.11Å; H185-H430 AromaticContact CE1-CD2 3.61Å; H185-H430 AromaticContact CE1-NE2 3.27Å; H185-H430 PolarHBondContact CE1-NE2 3.01Å; H185-H430 VanDerWaalsContact CE1-NE2 3.27Å; H185-H430 AromaticContact ND1-CD2 3.57Å; H185-H430 AromaticContact ND1-NE2 3.75Å; S428-H430 PolarHBondContact O-N 2.81Å; H430-T432 VanDerWaalsContact C-N 3.35Å; H430-H433 PolarHBondContact O-N 3.34Å; H430-T434 PolarHBondContact ND1-OG1 3.02Å; H430-T434 PolarHBondContact O-N 3.44Å; H430-T434 PolarHBondContact O-OG1 3.44Å; H430-T434 VanDerWaalsContact O-OG1 3.08Å
431K88.6Confident89.5Confident137 Ų13755.5 Ų55.560%0.59630%0.304SS*.Hα-helixtrans-64.8-43.5175.8-74.9-175.5175.5-173.70110.2T427 S428 H433 T434 I435T427-K431 HydrophobicContact CG2-CB 3.61Å; S428-K431 PolarHBondContact O-N 3.31Å; K431-H433 PolarHBondContact O-N 3.16Å; K431-T434 PolarHBondContact O-N 2.92Å; K431-I435 VanDerWaalsContact O-CG1 3.24Å; K431-I435 WeakPolarHBondContact O-CG1 3.25Å; K431-I435 PolarHBondContact O-N 3.45Å
432T90.6Very high89.4Confident0 Ų052.2 Ų52.20%030%0.302CS..Hα-helixtrans-59.6-45175-54.80000112.1V192 L423 T427 S428 L429 H430 I435 F436 V456 L461V192-T432 HydrophobicContact CG2-CG2 4.24Å; V192-T432 WeakPolarHBondContact CG2-OG1 3.27Å; L423-T432 HydrophobicContact CD1-CG2 3.75Å; T427-T432 WeakPolarHBondContact CG2-OG1 3.45Å; S428-T432 PolarHBondContact O-N 2.95Å; S428-T432 PolarHBondContact O-OG1 3.05Å; L429-T432 PolarHBondContact O-N 3.39Å; H430-T432 VanDerWaalsContact C-N 3.35Å; T432-I435 PolarHBondContact O-N 3.05Å; T432-F436 HydrophobicContact CG2-CD2 3.99Å; T432-F436 HydrophobicContact CG2-CE2 3.97Å; T432-F436 VanDerWaalsContact O-CD2 3.29Å; T432-F436 WeakPolarHBondContact O-CD2 3.42Å; T432-F436 PolarHBondContact O-N 2.92Å; T432-V456 HydrophobicContact CG2-CG1 4.48Å; T432-L461 HydrophobicContact CG2-CD1 3.87Å; T432-L461 HydrophobicContact CG2-CD2 4.44Å
433H88.7Confident89.3Confident12 Ų1250.8 Ų50.86%0.05630%0.295CS..Hα-helixtrans-56.2-52.7172.4170.1-82.4000111.9P178 L180 L429 H430 K431 I435 F436 S437P178-H433 PolarHBondContact O-NE2 3.1Å; L180-H433 HydrophobicContact CD1-CB 3.57Å; L180-H433 HydrophobicContact CG-CB 4.38Å; L429-H433 WeakPolarHBondContact O-CB 3.4Å; L429-H433 PolarHBondContact O-N 3.08Å; H430-H433 PolarHBondContact O-N 3.34Å; K431-H433 PolarHBondContact O-N 3.16Å; H433-I435 VanDerWaalsContact C-N 3.32Å; H433-I435 PolarHBondContact O-N 3.31Å; H433-F436 PolarHBondContact O-N 3.06Å; H433-S437 PolarHBondContact O-N 3.41Å; H433-S437 PolarHBondContact O-OG 3.2Å
434T88.4Confident89.3Confident54 Ų5450.4 Ų50.433%0.33129%0.293SS..Hα-helixtrans-58.7-41.7179.4-60.40000112.1H430 K431 S437 L438H430-T434 PolarHBondContact ND1-OG1 3.02Å; H430-T434 PolarHBondContact O-N 3.44Å; H430-T434 PolarHBondContact O-OG1 3.44Å; H430-T434 VanDerWaalsContact O-OG1 3.08Å; K431-T434 PolarHBondContact O-N 2.92Å; T434-S437 PolarHBondContact O-N 3.34Å; T434-L438 HydrophobicContact CG2-CD1 3.63Å; T434-L438 HydrophobicContact CG2-CG 4.18Å; T434-L438 WeakPolarHBondContact O-CB 3.24Å; T434-L438 VanDerWaalsContact O-CG 3.28Å; T434-L438 WeakPolarHBondContact O-CG 3.38Å; T434-L438 PolarHBondContact O-N 2.9Å
435I90.4Very high89.3Confident56 Ų5646.4 Ų46.429%0.28727%0.268SS..Hα-helixtrans-61.9-47.6175.9-68.9164.9000110.9L423 K431 T432 H433 L439 L441L423-I435 HydrophobicContact CD2-CD1 3.82Å; L423-I435 HydrophobicContact CD2-CG2 4.44Å; K431-I435 VanDerWaalsContact O-CG1 3.24Å; K431-I435 WeakPolarHBondContact O-CG1 3.25Å; K431-I435 PolarHBondContact O-N 3.45Å; T432-I435 PolarHBondContact O-N 3.05Å; H433-I435 VanDerWaalsContact C-N 3.32Å; H433-I435 PolarHBondContact O-N 3.31Å; I435-L439 HydrophobicContact CG2-CD1 3.94Å; I435-L439 WeakPolarHBondContact O-CB 3.49Å; I435-L439 PolarHBondContact O-N 3.15Å; I435-L439 VanDerWaalsContact O-N 3.15Å; I435-L441 HydrophobicContact CG2-CD1 4.02Å
436F91.5Very high89.5Confident3 Ų344.9 Ų44.91%0.01326%0.261CS..Hα-helixtrans-63.5-42.1178.7-91-114.7000112.6L177 L423 T432 H433 G440 L441 A444 V456 L458 L461L177-F436 HydrophobicContact CD2-CB 4.3Å; L423-F436 HydrophobicContact CD1-CE2 4.13Å; T432-F436 HydrophobicContact CG2-CD2 3.99Å; T432-F436 HydrophobicContact CG2-CE2 3.97Å; T432-F436 VanDerWaalsContact O-CD2 3.29Å; T432-F436 WeakPolarHBondContact O-CD2 3.42Å; T432-F436 PolarHBondContact O-N 2.92Å; H433-F436 PolarHBondContact O-N 3.06Å; F436-G440 WeakPolarHBondContact O-CA 3.41Å; F436-G440 PolarHBondContact O-N 3.22Å; F436-L441 HydrophobicContact CD1-CB 3.94Å; F436-L441 WeakPolarHBondContact CD1-O 2.99Å; F436-L441 HydrophobicContact CD2-CB 4.43Å; F436-L441 HydrophobicContact CD2-CD1 4.37Å; F436-L441 HydrophobicContact CE1-CB 4.16Å; F436-L441 HydrophobicContact CE2-CD1 4.48Å; F436-L441 HydrophobicContact CG-CB 4.1Å; F436-L441 PolarHBondContact O-N 3.33Å; F436-L441 VanDerWaalsContact O-N 3.13Å; F436-A444 HydrophobicContact CE2-CB 3.81Å; F436-A444 HydrophobicContact CZ-CB 3.92Å; F436-V456 HydrophobicContact CZ-CB 4.5Å; F436-V456 HydrophobicContact CZ-CG1 4.15Å; F436-V456 WeakPolarHBondContact CZ-O 3.35Å; F436-L458 HydrophobicContact CD1-CD2 3.64Å; F436-L458 HydrophobicContact CD1-CG 3.88Å; F436-L458 HydrophobicContact CE1-CD2 4.35Å; F436-L458 HydrophobicContact CE1-CG 4.16Å; F436-L461 HydrophobicContact CB-CD2 3.77Å; F436-L461 HydrophobicContact CD1-CD2 3.76Å; F436-L461 HydrophobicContact CD2-CD2 4.01Å; F436-L461 HydrophobicContact CE1-CD2 4.33Å; F436-L461 HydrophobicContact CG-CD2 3.57Å
437S87.8Confident89.7Confident64 Ų6441 Ų4145%0.44824%0.244SC..Hα-helixtrans-71.2-42.7-179.4-60.20000113H433 T434H433-S437 PolarHBondContact O-N 3.41Å; H433-S437 PolarHBondContact O-OG 3.2Å; T434-S437 PolarHBondContact O-N 3.34Å
438L88.8Confident89.8Confident141 Ų14142 Ų4274%0.73825%0.251SS*.Hα-helixtrans-72.1-31.9-179-69.8177000113.2T434T434-L438 HydrophobicContact CG2-CD1 3.63Å; T434-L438 HydrophobicContact CG2-CG 4.18Å; T434-L438 WeakPolarHBondContact O-CB 3.24Å; T434-L438 VanDerWaalsContact O-CG 3.28Å; T434-L438 WeakPolarHBondContact O-CG 3.38Å; T434-L438 PolarHBondContact O-N 2.9Å
439L89.5Confident89.8Confident95 Ų9549.2 Ų49.250%0.49728%0.283SS..Hα-helixtrans-104.6-1-175.9-57.8172.3000113.4F421 I435 L441F421-L439 HydrophobicContact CD1-CD1 4.05Å; F421-L439 HydrophobicContact CE1-CD1 3.65Å; F421-L439 HydrophobicContact CZ-CD1 4.24Å; I435-L439 HydrophobicContact CG2-CD1 3.94Å; I435-L439 WeakPolarHBondContact O-CB 3.49Å; I435-L439 PolarHBondContact O-N 3.15Å; I435-L439 VanDerWaalsContact O-N 3.15Å; L439-L441 VanDerWaalsContact C-N 3.31Å; L439-L441 HydrophobicContact CB-CD1 4.45Å; L439-L441 HydrophobicContact CB-CD2 3.76Å; L439-L441 HydrophobicContact CB-CG 3.83Å; L439-L441 HydrophobicContact CD1-CD1 4.45Å; L439-L441 PolarHBondContact O-N 3.44Å
440G87.4Confident89.8Confident65 Ų6550.7 Ų50.767%0.6730%0.299SS*.THydrogen-bonded Turntrans65.127.217900000114.7F436F436-G440 WeakPolarHBondContact O-CA 3.41Å; F436-G440 PolarHBondContact O-N 3.22Å
441L87.4Confident90.1Very high14 Ų1455.2 Ų55.27%0.07331%0.314CS..  trans-70.1133.1-170.1-53.5-174.6000112.3F421 I435 F436 L439 A444 L458F421-L441 HydrophobicContact CB-CD1 3.85Å; F421-L441 HydrophobicContact CB-CD2 4.5Å; F421-L441 HydrophobicContact CD1-CD1 4.31Å; F421-L441 HydrophobicContact CD1-CD2 4.49Å; F421-L441 HydrophobicContact CD2-CD1 4.26Å; F421-L441 HydrophobicContact CD2-CD2 3.39Å; F421-L441 HydrophobicContact CD2-CG 4.49Å; F421-L441 HydrophobicContact CE2-CD2 3.62Å; F421-L441 HydrophobicContact CG-CD1 3.87Å; F421-L441 HydrophobicContact CG-CD2 3.87Å; F421-L441 HydrophobicContact CZ-CD2 4.28Å; I435-L441 HydrophobicContact CG2-CD1 4.02Å; F436-L441 HydrophobicContact CD1-CB 3.94Å; F436-L441 WeakPolarHBondContact CD1-O 2.99Å; F436-L441 HydrophobicContact CD2-CB 4.43Å; F436-L441 HydrophobicContact CD2-CD1 4.37Å; F436-L441 HydrophobicContact CE1-CB 4.16Å; F436-L441 HydrophobicContact CE2-CD1 4.48Å; F436-L441 HydrophobicContact CG-CB 4.1Å; F436-L441 PolarHBondContact O-N 3.33Å; F436-L441 VanDerWaalsContact O-N 3.13Å; L439-L441 VanDerWaalsContact C-N 3.31Å; L439-L441 HydrophobicContact CB-CD1 4.45Å; L439-L441 HydrophobicContact CB-CD2 3.76Å; L439-L441 HydrophobicContact CB-CG 3.83Å; L439-L441 HydrophobicContact CD1-CD1 4.45Å; L439-L441 PolarHBondContact O-N 3.44Å; L441-A444 HydrophobicContact CD1-CB 4.43Å; L441-L458 WeakPolarHBondContact O-CD1 3.26Å; L441-L458 WeakPolarHBondContact O-CG 3.26Å
442G86.4Confident90.4Very high43 Ų4349 Ų4944%0.44329%0.288SS..SBendtrans-79.5-30.3169.100000113.6L458G442-L458 PolarHBondContact O-N 3Å
443H89.9Confident90.5Very high61 Ų6150.9 Ų50.928%0.28230%0.299SS..EExtended strand (participates in β ladder)trans-161.1162.5179.766.7-51.4000109.7T223 Y445 V455 V456T223-H443 PolarHBondContact OG1-CE1 3.46Å; T223-H443 PolarHBondContact OG1-NE2 3.37Å; H443-Y445 AromaticContact NE2-CZ 3.95Å; H443-V455 HydrophobicContact CB-CG1 4.39Å; H443-V456 CarbonylContact C-O 3.57Å; H443-V456 WeakPolarHBondContact CA-O 3.19Å
444A92.6Very high90.7Very high1 Ų150.3 Ų50.31%0.00830%0.296CS..EExtended strand (participates in β ladder)trans-141.7149.6170.800000109.6F421 L423 F436 L441 V456F421-A444 HydrophobicContact CB-CB 4.44Å; L423-A444 HydrophobicContact CD1-CB 3.86Å; L423-A444 HydrophobicContact CG-CB 4.01Å; F436-A444 HydrophobicContact CE2-CB 3.81Å; F436-A444 HydrophobicContact CZ-CB 3.92Å; L441-A444 HydrophobicContact CD1-CB 4.43Å; A444-V456 PolarHBondContact N-O 3.02Å; A444-V456 PolarHBondContact O-N 3.34Å
445Y93.4Very high90.8Very high9 Ų949 Ų494%0.03529%0.288CS..EExtended strand (participates in β ladder)trans-84146.5174.3-61.8-80.3000109.8A225 L235 P420 F421 Q422 L423 H443 L452 V455A225-Y445 HydrophobicContact CB-CD1 4.2Å; A225-Y445 HydrophobicContact CB-CE1 3.69Å; L235-Y445 HydrophobicContact CD2-CD2 4.37Å; L235-Y445 HydrophobicContact CD2-CG 4.05Å; P420-Y445 HydrophobicContact CB-CD2 3.91Å; P420-Y445 HydrophobicContact CB-CE2 3.91Å; P420-Y445 HydrophobicContact CG-CD2 4.29Å; P420-Y445 HydrophobicContact CG-CE2 4.48Å; F421-Y445 PolarHBondContact O-N 3.29Å; Q422-Y445 CarbonylContact C-O 3.52Å; Q422-Y445 VanDerWaalsContact CA-O 3.3Å; Q422-Y445 WeakPolarHBondContact CA-O 3.43Å; L423-Y445 PolarHBondContact N-O 3.47Å; H443-Y445 AromaticContact NE2-CZ 3.95Å; Y445-L452 HydrophobicContact CD1-CD1 3.86Å; Y445-L452 HydrophobicContact CG-CD1 4.38Å; Y445-V455 HydrophobicContact CD1-CG2 3.53Å; Y445-V455 HydrophobicContact CE1-CG2 3.81Å
446V94.6Very high91Very high0 Ų046.3 Ų46.30%027%0.274CS..EExtended strand (participates in β ladder)trans-106.4123175.2-169.90000108.6V192 M196 L423 E425 V453 G454 V456V192-V446 HydrophobicContact CG1-CB 4.12Å; V192-V446 HydrophobicContact CG1-CG1 3.54Å; V192-V446 HydrophobicContact CG1-CG2 3.39Å; M196-V446 HydrophobicContact CB-CG2 3.93Å; M196-V446 HydrophobicContact SD-CB 3.84Å; M196-V446 HydrophobicContact SD-CG1 3.62Å; M196-V446 HydrophobicContact SD-CG2 4.03Å; L423-V446 WeakPolarHBondContact O-CA 3.45Å; L423-V446 WeakPolarHBondContact O-CG1 3.21Å; E425-V446 HydrophobicContact CB-CG1 4.37Å; E425-V446 HydrophobicContact CG-CG1 3.61Å; V446-V453 PolarHBondContact O-N 3.11Å; V446-G454 PolarHBondContact N-O 2.89Å; V446-G454 PolarHBondContact O-N 3Å; V446-V456 HydrophobicContact CG2-CG2 3.86Å
447T93.8Very high90.9Very high14 Ų1447.2 Ų47.29%0.08628%0.281CS..EExtended strand (participates in β ladder)trans-123.6145.9-178.1610000112.6L235 Q422 L423 R451L235-T447 HydrophobicContact CB-CG2 4.17Å; L235-T447 HydrophobicContact CD2-CG2 3.74Å; Q422-T447 HydrophobicContact CG-CG2 4.37Å; Q422-T447 VanDerWaalsContact OE1-CG2 3.3Å; Q422-T447 PolarHBondContact OE1-OG1 2.88Å; L423-T447 PolarHBondContact O-N 3.5Å; T447-R451 CarbonylContact C-O 3.51Å; T447-R451 WeakPolarHBondContact CA-O 3.4Å; T447-R451 WeakPolarHBondContact CB-O 3.38Å
448S93.4Very high91Very high43 Ų4347.5 Ų47.530%0.30128%0.277SS..EExtended strand (participates in β ladder)trans-129.1114.3175.9-152.90000108E425 G450 R451E425-S448 WeakPolarHBondContact OE2-CB 3.21Å; E425-S448 PolarHBondContact OE2-OG 3.07Å; S448-G450 PolarHBondContact O-N 3.35Å; S448-R451 PolarHBondContact N-O 2.81Å; S448-R451 WeakPolarHBondContact O-CB 3.28Å; S448-R451 PolarHBondContact O-N 3.35Å
449M88.9Confident90.9Very high193 Ų19349 Ų4995%0.95128%0.278SS*.THydrogen-bonded Turntrans50.338.1-170.2-55.3-178.868.800113.5R451M449-R451 PolarHBondContact O-N 3.16Å
450G87.7Confident90.8Very high31 Ų3146.5 Ų46.532%0.3226%0.263SS..THydrogen-bonded Turntrans78.6-8.6-177.300000115.5L235 S448L235-G450 PolarHBondContact N-O 3.46Å; S448-G450 PolarHBondContact O-N 3.35Å
451R92.8Very high90.9Very high123 Ų12343.4 Ų43.446%0.46423%0.232SC..EExtended strand (participates in β ladder)trans-80.2136.1173.1-56.6-176.2172.6-116.47.9110.4D231 S232 M233 I234 T447 S448 M449 V453D231-R451 PolarHBondContact O-NH1 3.34Å; S232-R451 WeakPolarHBondContact O-CG 3.41Å; S232-R451 PolarHBondContact O-NH1 2.93Å; M233-R451 CarbonylContact O-C 3.45Å; M233-R451 WeakPolarHBondContact O-CA 3.44Å; I234-R451 HydrophobicContact CG1-CG 4.39Å; T447-R451 CarbonylContact C-O 3.51Å; T447-R451 WeakPolarHBondContact CA-O 3.4Å; T447-R451 WeakPolarHBondContact CB-O 3.38Å; S448-R451 PolarHBondContact N-O 2.81Å; S448-R451 WeakPolarHBondContact O-CB 3.28Å; S448-R451 PolarHBondContact O-N 3.35Å; M449-R451 PolarHBondContact O-N 3.16Å; R451-V453 PolarHBondContact O-N 3.25Å
452L93.5Very high90.8Very high7 Ų745.2 Ų45.24%0.03724%0.238CC..EExtended strand (participates in β ladder)trans-72.3118.1175.2179.762.3000110.5V200 F202 A225 V227 M233 L235 Y445V200-L452 HydrophobicContact CB-CD2 4.39Å; V200-L452 HydrophobicContact CG1-CD1 4.31Å; V200-L452 HydrophobicContact CG1-CD2 3.82Å; V200-L452 HydrophobicContact CG1-CG 4.25Å; F202-L452 HydrophobicContact CB-CD2 4.18Å; A225-L452 HydrophobicContact CB-CD2 3.66Å; V227-L452 HydrophobicContact CG1-CB 4.3Å; V227-L452 HydrophobicContact CG1-CD2 3.74Å; M233-L452 WeakPolarHBondContact O-CB 3.33Å; M233-L452 PolarHBondContact O-N 3.23Å; L235-L452 HydrophobicContact CB-CB 4.45Å; L235-L452 HydrophobicContact CD1-CD2 4.42Å; Y445-L452 HydrophobicContact CD1-CD1 3.86Å; Y445-L452 HydrophobicContact CG-CD1 4.38Å
453V92.6Very high90.7Very high39 Ų3951 Ų5124%0.23625%0.25CS..EExtended strand (participates in β ladder)trans-115.8-24.5-179.8-169.10000112.5M196 E425 V446 R451M196-V453 HydrophobicContact CE-CB 4.46Å; M196-V453 HydrophobicContact CE-CG1 3.81Å; E425-V453 WeakPolarHBondContact OE1-CG1 3.46Å; V446-V453 PolarHBondContact O-N 3.11Å; R451-V453 PolarHBondContact O-N 3.25Å
454G92.9Very high90.4Very high0 Ų048.8 Ų48.80%024%0.243CC..EExtended strand (participates in β ladder)trans-164.9178.9179.700000114.2V197 V200 V446V197-G454 CarbonylContact O-C 3.59Å; V197-G454 WeakPolarHBondContact O-CA 3.35Å; V200-G454 VanDerWaalsContact CG2-C 3.46Å; V200-G454 VanDerWaalsContact CG2-CA 3.46Å; V446-G454 PolarHBondContact N-O 2.89Å; V446-G454 PolarHBondContact O-N 3Å
455V92.4Very high89.9Confident26 Ų2649 Ų4916%0.15824%0.244CC..EExtended strand (participates in β ladder)trans-127.9145.4165.8168.10000108.5M196 V197 V200 H443 Y445M196-V455 WeakPolarHBondContact CA-O 3.18Å; V197-V455 PolarHBondContact N-O 2.92Å; V197-V455 PolarHBondContact O-N 3.03Å; V200-V455 HydrophobicContact CB-CG2 4.48Å; V200-V455 HydrophobicContact CG1-CG2 3.66Å; V200-V455 HydrophobicContact CG2-CG2 4.02Å; H443-V455 HydrophobicContact CB-CG1 4.39Å; Y445-V455 HydrophobicContact CD1-CG2 3.53Å; Y445-V455 HydrophobicContact CE1-CG2 3.81Å
456V93.4Very high89.1Confident0 Ų052.8 Ų52.80%026%0.262CS..EExtended strand (participates in β ladder)trans-115.9124.8164.2176.10000108.2V192 I195 M196 T432 F436 H443 A444 V446 L461V192-V456 HydrophobicContact CG1-CG2 3.99Å; I195-V456 HydrophobicContact CD1-CG1 4.05Å; I195-V456 HydrophobicContact CD1-CG2 4.22Å; I195-V456 HydrophobicContact CG1-CG2 4.08Å; M196-V456 HydrophobicContact CB-CG2 3.89Å; T432-V456 HydrophobicContact CG2-CG1 4.48Å; F436-V456 HydrophobicContact CZ-CB 4.5Å; F436-V456 HydrophobicContact CZ-CG1 4.15Å; F436-V456 WeakPolarHBondContact CZ-O 3.35Å; H443-V456 CarbonylContact C-O 3.57Å; H443-V456 WeakPolarHBondContact CA-O 3.19Å; A444-V456 PolarHBondContact N-O 3.02Å; A444-V456 PolarHBondContact O-N 3.34Å; V446-V456 HydrophobicContact CG2-CG2 3.86Å; V456-L461 HydrophobicContact CG1-CB 4.24Å
457S90.6Very high87.9Confident22 Ų2254.1 Ų54.115%0.15428%0.276CS..EExtended strand (participates in β ladder)trans-102.6161.9169.593.80000111.7K459 E460 L461S457-K459 PolarHBondContact O-N 3.14Å; S457-K459 WeakPolarHBondContact OG-CB 3.41Å; S457-K459 PolarHBondContact OG-N 2.84Å; S457-E460 WeakPolarHBondContact CB-OE1 3.31Å; S457-E460 PolarHBondContact N-OE2 2.95Å; S457-E460 PolarHBondContact O-N 3.13Å; S457-E460 VanDerWaalsContact O-N 3.16Å; S457-E460 VanDerWaalsContact OG-CD 3.28Å; S457-E460 PolarHBondContact OG-OE1 3.42Å; S457-E460 PolarHBondContact OG-OE2 3.3Å; S457-L461 WeakPolarHBondContact O-CB 3.21Å; S457-L461 PolarHBondContact O-N 2.77Å
458L88Confident86.4Confident70 Ų7054.1 Ų54.137%0.36628%0.276SS..Hα-helixtrans-51.5-26.7169.6-84.5173.3000113.3L177 F436 L441 G442 R462L177-L458 HydrophobicContact CD2-CD2 4.02Å; F436-L458 HydrophobicContact CD1-CD2 3.64Å; F436-L458 HydrophobicContact CD1-CG 3.88Å; F436-L458 HydrophobicContact CE1-CD2 4.35Å; F436-L458 HydrophobicContact CE1-CG 4.16Å; L441-L458 WeakPolarHBondContact O-CD1 3.26Å; L441-L458 WeakPolarHBondContact O-CG 3.26Å; G442-L458 PolarHBondContact O-N 3Å; L458-R462 WeakPolarHBondContact O-CB 3.15Å; L458-R462 PolarHBondContact O-N 2.83Å
459K87.3Confident84.6Confident172 Ų17255.2 Ų55.275%0.74828%0.281SS*.Hα-helixtrans-74-46179.6-58.5176.8-178.7174.60111.6S457 K463S457-K459 PolarHBondContact O-N 3.14Å; S457-K459 WeakPolarHBondContact OG-CB 3.41Å; S457-K459 PolarHBondContact OG-N 2.84Å; K459-K463 VanDerWaalsContact O-CB 3.26Å; K459-K463 WeakPolarHBondContact O-CB 3.32Å; K459-K463 PolarHBondContact O-N 3.18Å
460E88.3Confident82.8Confident43 Ų4350.9 Ų50.920%0.20127%0.265CS..Hα-helixtrans-65.7-44.2174-63.695.2-103.900111.1V197 S457 R462 K463 A464V197-E460 HydrophobicContact CG2-CG 3.86Å; S457-E460 WeakPolarHBondContact CB-OE1 3.31Å; S457-E460 PolarHBondContact N-OE2 2.95Å; S457-E460 PolarHBondContact O-N 3.13Å; S457-E460 VanDerWaalsContact O-N 3.16Å; S457-E460 VanDerWaalsContact OG-CD 3.28Å; S457-E460 PolarHBondContact OG-OE1 3.42Å; S457-E460 PolarHBondContact OG-OE2 3.3Å; E460-R462 PolarHBondContact O-N 2.98Å; E460-K463 CarbonylContact O-C 3.59Å; E460-K463 WeakPolarHBondContact O-CB 3.38Å; E460-K463 PolarHBondContact O-N 3.33Å; E460-K463 VanDerWaalsContact O-N 3.14Å; E460-A464 WeakPolarHBondContact O-CB 3.22Å; E460-A464 PolarHBondContact O-N 2.92Å
461L88.8Confident80.7Confident0 Ų055.3 Ų55.30%029%0.286CS..Hα-helixtrans-58.6-48.4178.8-176.662.2000111.7L177 I195 L429 T432 F436 V456 S457 A464 I465L177-L461 HydrophobicContact CD1-CD2 4.1Å; L177-L461 HydrophobicContact CD1-CG 4.04Å; L177-L461 HydrophobicContact CD2-CD2 4.03Å; I195-L461 HydrophobicContact CD1-CD1 4.27Å; L429-L461 HydrophobicContact CD1-CD1 3.67Å; T432-L461 HydrophobicContact CG2-CD1 3.87Å; T432-L461 HydrophobicContact CG2-CD2 4.44Å; F436-L461 HydrophobicContact CB-CD2 3.77Å; F436-L461 HydrophobicContact CD1-CD2 3.76Å; F436-L461 HydrophobicContact CD2-CD2 4.01Å; F436-L461 HydrophobicContact CE1-CD2 4.33Å; F436-L461 HydrophobicContact CG-CD2 3.57Å; V456-L461 HydrophobicContact CG1-CB 4.24Å; S457-L461 WeakPolarHBondContact O-CB 3.21Å; S457-L461 PolarHBondContact O-N 2.77Å; L461-A464 PolarHBondContact O-N 2.87Å; L461-I465 HydrophobicContact CD1-CD1 4.48Å; L461-I465 HydrophobicContact CG-CD1 4.36Å; L461-I465 WeakPolarHBondContact O-CG1 3.13Å; L461-I465 PolarHBondContact O-N 3.41Å; L461-I465 VanDerWaalsContact O-N 3.12Å
462R84.7Confident78.3Confident53 Ų5353.2 Ų53.220%0.229%0.287CS..Hα-helixtrans-60-45.6173.1179.9-177.5166.7-167.6-0.8111.6K173 L174 L458 E460 A464 I465 E466K173-R462 PolarHBondContact O-NH1 3.31Å; K173-R462 PolarHBondContact O-NH2 3.03Å; L174-R462 PolarHBondContact O-NH1 3.42Å; L458-R462 WeakPolarHBondContact O-CB 3.15Å; L458-R462 PolarHBondContact O-N 2.83Å; E460-R462 PolarHBondContact O-N 2.98Å; R462-A464 VanDerWaalsContact C-N 3.3Å; R462-A464 PolarHBondContact O-N 2.7Å; R462-I465 PolarHBondContact O-N 2.6Å; R462-E466 HydrophobicContact CG-CG 4.37Å; R462-E466 IonicContact CZ-OE1 3.46Å; R462-E466 IonicContact NE-OE1 2.77Å; R462-E466 PolarHBondContact NE-OE1 2.9Å; R462-E466 IonicContact NE-OE2 2.75Å; R462-E466 IonicContact NH2-OE1 3.3Å; R462-E466 PolarHBondContact NH2-OE1 2.73Å; R462-E466 IonicContact NH2-OE2 3.58Å; R462-E466 PolarHBondContact O-N 3.31Å
463K85.4Confident75.5Confident163 Ų16356.1 Ų56.171%0.70932%0.319SS*.Hα-helixtrans-61.7-36.3179.5-176.3-174.1175-168.10112.2K459 E460 G467K459-K463 VanDerWaalsContact O-CB 3.26Å; K459-K463 WeakPolarHBondContact O-CB 3.32Å; K459-K463 PolarHBondContact O-N 3.18Å; E460-K463 CarbonylContact O-C 3.59Å; E460-K463 WeakPolarHBondContact O-CB 3.38Å; E460-K463 PolarHBondContact O-N 3.33Å; E460-K463 VanDerWaalsContact O-N 3.14Å; K463-G467 PolarHBondContact O-N 2.75Å
464A84.1Confident73Confident16 Ų1658.9 Ų58.913%0.13234%0.335CS..Hα-helixtrans-69.5-38.2175.900000112.5I195 L429 E460 L461 R462 S468I195-A464 HydrophobicContact CB-CB 4.27Å; I195-A464 HydrophobicContact CG2-CB 3.48Å; I195-A464 VanDerWaalsContact CG2-CB 3.48Å; L429-A464 HydrophobicContact CD1-CB 3.83Å; L429-A464 HydrophobicContact CD2-CB 4.47Å; E460-A464 WeakPolarHBondContact O-CB 3.22Å; E460-A464 PolarHBondContact O-N 2.92Å; L461-A464 PolarHBondContact O-N 2.87Å; R462-A464 VanDerWaalsContact C-N 3.3Å; R462-A464 PolarHBondContact O-N 2.7Å; A464-S468 WeakPolarHBondContact O-CB 3.45Å; A464-S468 PolarHBondContact O-N 2.86Å; A464-S468 PolarHBondContact O-OG 3.3Å
465I80.6Confident70Confident4 Ų466.3 Ų66.32%0.02137%0.368CS..Hα-helixtrans-68.2-48.1174.5-63.9164.2000110.4L177 P178 L180 L429 L461 R462 G467 S468 V469L177-I465 HydrophobicContact CD1-CD1 3.69Å; P178-I465 HydrophobicContact CG-CG2 3.97Å; L180-I465 HydrophobicContact CD2-CD1 4.41Å; L180-I465 HydrophobicContact CD2-CG1 4.35Å; L180-I465 HydrophobicContact CD2-CG2 3.95Å; L429-I465 HydrophobicContact CD1-CG1 4.39Å; L429-I465 HydrophobicContact CD2-CG1 4.06Å; L429-I465 HydrophobicContact CG-CG1 4.29Å; L461-I465 HydrophobicContact CD1-CD1 4.48Å; L461-I465 HydrophobicContact CG-CD1 4.36Å; L461-I465 WeakPolarHBondContact O-CG1 3.13Å; L461-I465 PolarHBondContact O-N 3.41Å; L461-I465 VanDerWaalsContact O-N 3.12Å; R462-I465 PolarHBondContact O-N 2.6Å; I465-G467 VanDerWaalsContact C-N 3.3Å; I465-G467 PolarHBondContact O-N 2.69Å; I465-S468 PolarHBondContact O-N 3.24Å; I465-S468 PolarHBondContact O-OG 3.3Å; I465-S468 VanDerWaalsContact O-OG 3.06Å; I465-V469 WeakPolarHBondContact O-CB 3.36Å; I465-V469 VanDerWaalsContact O-CG2 3.27Å; I465-V469 WeakPolarHBondContact O-CG2 3.34Å; I465-V469 PolarHBondContact O-N 3.46Å
466E76.4Confident67.7Low90 Ų9069.6 Ų69.642%0.42139%0.387SS..Hα-helixtrans-62.3-36.6175.4-70.2-177.3171.300112.3R462 T470R462-E466 HydrophobicContact CG-CG 4.37Å; R462-E466 IonicContact CZ-OE1 3.46Å; R462-E466 IonicContact NE-OE1 2.77Å; R462-E466 PolarHBondContact NE-OE1 2.9Å; R462-E466 IonicContact NE-OE2 2.75Å; R462-E466 IonicContact NH2-OE1 3.3Å; R462-E466 PolarHBondContact NH2-OE1 2.73Å; R462-E466 IonicContact NH2-OE2 3.58Å; R462-E466 PolarHBondContact O-N 3.31Å; E466-T470 WeakPolarHBondContact O-CB 3.49Å; E466-T470 WeakPolarHBondContact O-CG2 3.47Å; E466-T470 PolarHBondContact O-N 2.92Å; E466-T470 VanDerWaalsContact O-N 3.08Å; E466-T470 PolarHBondContact O-OG1 3.46Å
467G70Confident64.9Low28 Ų2877.5 Ų77.529%0.28942%0.417SS..Hα-helixtrans-65.7-51175.300000113.2K463 I465 V469 T470 V471K463-G467 PolarHBondContact O-N 2.75Å; I465-G467 VanDerWaalsContact C-N 3.3Å; I465-G467 PolarHBondContact O-N 2.69Å; G467-V469 VanDerWaalsContact C-N 3.33Å; G467-V469 PolarHBondContact O-N 3.49Å; G467-T470 WeakPolarHBondContact CA-OG1 3.42Å; G467-T470 PolarHBondContact O-N 3.18Å; G467-T470 VanDerWaalsContact O-N 3.13Å; G467-T470 PolarHBondContact O-OG1 3.41Å; G467-T470 VanDerWaalsContact O-OG1 3.09Å; G467-V471 WeakPolarHBondContact O-CG2 3.22Å; G467-V471 PolarHBondContact O-N 3.28Å
468S62.7Low62.4Low14 Ų1481 Ų8110%0.09844%0.44CS..Hα-helixtrans-63.8-36.5179.351.50000113.2A464 I465 T472A464-S468 WeakPolarHBondContact O-CB 3.45Å; A464-S468 PolarHBondContact O-N 2.86Å; A464-S468 PolarHBondContact O-OG 3.3Å; I465-S468 PolarHBondContact O-N 3.24Å; I465-S468 PolarHBondContact O-OG 3.3Å; I465-S468 VanDerWaalsContact O-OG 3.06Å; S468-T472 PolarHBondContact O-OG1 3.02Å
469V56Low60.2Low65 Ų6583 Ų8339%0.39446%0.457SS..Hα-helixtrans-67.5-33.8172.7171.90000112.3I465 G467 T472I465-V469 WeakPolarHBondContact O-CB 3.36Å; I465-V469 VanDerWaalsContact O-CG2 3.27Å; I465-V469 WeakPolarHBondContact O-CG2 3.34Å; I465-V469 PolarHBondContact O-N 3.46Å; G467-V469 VanDerWaalsContact C-N 3.33Å; G467-V469 PolarHBondContact O-N 3.49Å; V469-T472 PolarHBondContact O-OG1 3.26Å
470T49.7Very low57.9Low102 Ų10282.6 Ų82.663%0.62646%0.462SS*.Hα-helixtrans-85.9-28.3-178.948.50000114.5E466 G467 T472E466-T470 WeakPolarHBondContact O-CB 3.49Å; E466-T470 WeakPolarHBondContact O-CG2 3.47Å; E466-T470 PolarHBondContact O-N 2.92Å; E466-T470 VanDerWaalsContact O-N 3.08Å; E466-T470 PolarHBondContact O-OG1 3.46Å; G467-T470 WeakPolarHBondContact CA-OG1 3.42Å; G467-T470 PolarHBondContact O-N 3.18Å; G467-T470 VanDerWaalsContact O-N 3.13Å; G467-T470 PolarHBondContact O-OG1 3.41Å; G467-T470 VanDerWaalsContact O-OG1 3.09Å; T470-T472 VanDerWaalsContact C-N 3.29Å; T470-T472 PolarHBondContact O-N 2.83Å
471V44.6Very low55.5Low125 Ų12583 Ų8376%0.75847%0.473SS*.Hα-helixtrans-66.6-30.3174.7167.80000112G467 G473G467-V471 WeakPolarHBondContact O-CG2 3.22Å; G467-V471 PolarHBondContact O-N 3.28Å; V471-G473 VanDerWaalsContact C-N 3.27Å; V471-G473 PolarHBondContact O-N 3.24Å; V471-G473 VanDerWaalsContact O-N 3.14Å
472T41.7Very low53.3Low79 Ų7987.8 Ų87.849%0.48551%0.506SS..THydrogen-bonded Turntrans-88.335.4-173.749.90000114.7S468 V469 T470 V474S468-T472 PolarHBondContact O-OG1 3.02Å; V469-T472 PolarHBondContact O-OG1 3.26Å; T470-T472 VanDerWaalsContact C-N 3.29Å; T470-T472 PolarHBondContact O-N 2.83Å; T472-V474 PolarHBondContact O-N 3.25Å
473G36.3Very low51.3Low68 Ų6894.3 Ų94.370%0.70154%0.536SS*.SBendtrans74.7-17.2163.200000117.2V471 K475V471-G473 VanDerWaalsContact C-N 3.27Å; V471-G473 PolarHBondContact O-N 3.24Å; V471-G473 VanDerWaalsContact O-N 3.14Å; G473-K475 PolarHBondContact O-N 3.25Å
474V39.3Very low49.3Very low96 Ų9697.3 Ų97.358%0.58254%0.543SS*.  trans-75.773.9174.5-171.10000109.8T472 V476T472-V474 PolarHBondContact O-N 3.25Å; V474-V476 VanDerWaalsContact C-N 3.28Å; V474-V476 HydrophobicContact CG1-CG2 4.06Å; V474-V476 PolarHBondContact O-N 3.1Å
475K29.5Very low47Very low156 Ų156104 Ų10468%0.67858%0.576SS**  trans-66.888.2169.7-174.7175.6-177.9170.70108.9G473 R477G473-K475 PolarHBondContact O-N 3.25Å; K475-R477 HydrophobicContact CD-CG 4.4Å; K475-R477 HydrophobicContact CG-CG 4.13Å; K475-R477 PolarHBondContact O-N 2.92Å
476V43.7Very low45Very low95 Ų95109.7 Ų109.758%0.57662%0.617SS**  trans-63.582.8169.5-174.40000108.2V474V474-V476 VanDerWaalsContact C-N 3.28Å; V474-V476 HydrophobicContact CG1-CG2 4.06Å; V474-V476 PolarHBondContact O-N 3.1Å
477R36.3Very low43.2Very low166 Ų166108.3 Ų108.363%0.62663%0.627SS**  trans-62.4138174.7-68.5176.9173.883.9-13.4108.1K475K475-R477 HydrophobicContact CD-CG 4.4Å; K475-R477 HydrophobicContact CG-CG 4.13Å; K475-R477 PolarHBondContact O-N 2.92Å
478P36.7Very low41.7Very low96 Ų96114.5 Ų114.562%0.62365%0.653SS**  trans-59.4140170.526.2-33.5000109.4L480 A481P478-L480 PolarHBondContact O-N 2.91Å; P478-A481 PolarHBondContact O-N 2.79Å
479P42.2Very low40.2Very low111 Ų111119.7 Ų119.772%0.72169%0.689SS**G310 helixtrans-65.1-13.9-162.123-34.3000115.1
480L40.2Very low39.1Very low165 Ų165122.3 Ų122.386%0.86471%0.706SS**G310 helixtrans-84.5-4.9-178.6-56-179.2000114.3P478 S482P478-L480 PolarHBondContact O-N 2.91Å; L480-S482 VanDerWaalsContact C-N 3.33Å
481A37.5Very low38.4Very low52 Ų52122.4 Ų122.443%0.4371%0.71SS.*G310 helixtrans-80-10.2178.500000114.1P478 F483P478-A481 PolarHBondContact O-N 2.79Å; A481-F483 VanDerWaalsContact C-N 3.3Å; A481-F483 PolarHBondContact O-N 3.24Å
482S42Very low38.3Very low99 Ų99123.3 Ų123.369%0.69272%0.716SS**G310 helixtrans-76.6-5.8-167.3-162.50000116L480L480-S482 VanDerWaalsContact C-N 3.33Å
483F42.6Very low38.1Very low190 Ų190124.3 Ų124.383%0.83373%0.726SS**G310 helixtrans-124.37.1-166.9-83-77.5000115.7A481A481-F483 VanDerWaalsContact C-N 3.3Å; A481-F483 PolarHBondContact O-N 3.24Å
484R44.3Very low38.3Very low227 Ų227129.6 Ų129.686%0.85773%0.733SS**SBendtrans-109.8-19.3-174.6-161163.3178.7163.6-0.8115.9
485D34.1Very low38.2Very low155 Ų155131.5 Ų131.583%0.82974%0.744SS**  trans-97.524.6-177.7-62.6-22.3000113.6G487D485-G487 VanDerWaalsContact C-N 3.32Å; D485-G487 PolarHBondContact O-N 3.17Å
486S39.1Very low38.8Very low124 Ų124128.3 Ų128.387%0.86774%0.738SS**  trans-9561165.6-71.50000110.5
487G39Very low38.8Very low61 Ų61128.8 Ų128.863%0.62973%0.734SS**SBendtrans-159.8103-177.400000112.8D485D485-G487 VanDerWaalsContact C-N 3.32Å; D485-G487 PolarHBondContact O-N 3.17Å
488N38Very low38.9Very low159 Ų159127.7 Ų127.785%0.8574%0.74SS**  trans6878.5164.5-163.658.9000118.5
489S31.6Very low39Very low122 Ų122129.8 Ų129.885%0.85374%0.741SS**  trans-145.2147.8136.265.30000110
490T32.9Very low38.9Very low121 Ų121131 Ų13174%0.74274%0.735SS**  trans-112.2130.4-16748.10000113.9
491S35.4Very low38.9Very low103 Ų103129.1 Ų129.172%0.7273%0.725SS**  trans66.1127.3141.368.80000120.8
492V41.9Very low38.9Very low144 Ų144131.4 Ų131.487%0.87374%0.737SS**  trans65.2101.1157.3-169.10000117.6
493S37.8Very low38.6Very low101 Ų101134 Ų13471%0.70674%0.74SS**  170.951.4119-173.20000115.1
494E41.1Very low38.4Very low178 Ų178135.2 Ų135.283%0.83274%0.739SS**SBendtrans-124.7-5177.7-69.9-167.7133.200116.2T496E494-T496 VanDerWaalsContact C-N 3.34Å; E494-T496 PolarHBondContact O-N 2.69Å
495V35.8Very low38.1Very low136 Ų136132.9 Ų132.982%0.82474%0.738SS**THydrogen-bonded Turntrans-78.7-13.8-173.2-179.30000113.7
496T42.8Very low38.2Very low90 Ų90137.1 Ų137.155%0.55274%0.742SS**THydrogen-bonded Turntrans-88.7-19.1-169.437.40000116.7E494E494-T496 VanDerWaalsContact C-N 3.34Å; E494-T496 PolarHBondContact O-N 2.69Å
497E44.4Very low37.9Very low105 Ų105134.7 Ų134.749%0.49174%0.736SS.*THydrogen-bonded Turntrans-96.2-35-174.4-68.3-52.7123.500114.3H499 K500 L501E497-H499 PolarHBondContact O-N 2.65Å; E497-K500 PolarHBondContact O-N 3.06Å; E497-K500 VanDerWaalsContact O-N 3.11Å; E497-K500 IonicContact OE1-NZ 2.73Å; E497-K500 PolarHBondContact OE1-NZ 3.5Å; E497-K500 IonicContact OE2-NZ 3.1Å; E497-L501 PolarHBondContact O-N 2.88Å
498L38.6Very low37.6Very low142 Ų142140.5 Ų140.574%0.74375%0.752SS**Hα-helixtrans-62.4-31.3178-76.1170.7000112.9C502L498-C502 PolarHBondContact O-N 3.32Å
499H37.2Very low37.2Very low141 Ų141138.3 Ų138.365%0.65375%0.749SS**Hα-helixtrans-71.2-30.5177-156.5168.2000112.5E497E497-H499 PolarHBondContact O-N 2.65Å
500K41.4Very low37.3Very low135 Ų135140.5 Ų140.559%0.58775%0.75SS**Hα-helixtrans-72.2-33.5178.2-70.4176.6-173.6164.60113E497E497-K500 PolarHBondContact O-N 3.06Å; E497-K500 VanDerWaalsContact O-N 3.11Å; E497-K500 IonicContact OE1-NZ 2.73Å; E497-K500 PolarHBondContact OE1-NZ 3.5Å; E497-K500 IonicContact OE2-NZ 3.1Å
501L40.2Very low37.3Very low126 Ų126140.7 Ų140.766%0.6675%0.754SS**Hα-helixtrans-73.1-40.9179.4-85.6161.9000112.5E497 M503 R504E497-L501 PolarHBondContact O-N 2.88Å; L501-M503 VanDerWaalsContact C-N 3.29Å; L501-M503 PolarHBondContact O-N 2.96Å; L501-R504 PolarHBondContact O-N 3.27Å
502C36.5Very low37Very low101 Ų101147 Ų14768%0.68276%0.762SS**Hα-helixtrans-62.5-34-176.4-164.20000113.2L498 R504L498-C502 PolarHBondContact O-N 3.32Å; C502-R504 PolarHBondContact O-N 2.7Å
503M36.9Very low36.4Very low154 Ų154148.4 Ų148.476%0.75976%0.759SS**THydrogen-bonded Turntrans-76.2-1.7-178.6-66.9-67.3-87.400114.7L501L501-M503 VanDerWaalsContact C-N 3.29Å; L501-M503 PolarHBondContact O-N 2.96Å
504R37.5Very low36Very low214 Ų214149.6 Ų149.681%0.80877%0.765SS**THydrogen-bonded Turntrans-96.9-13.5-175.8-150.5176.7-171.2107.42.2115.2L501 C502L501-R504 PolarHBondContact O-N 3.27Å; C502-R504 PolarHBondContact O-N 2.7Å
505H37.5Very low35.2Very low179 Ų179150.9 Ų150.983%0.82977%0.767SS**SBendtrans-123.442.8-175.2-86.3-83000114
506R36.5Very low35.1Very low244 Ų244149.8 Ų149.892%0.92176%0.763SS**SBendtrans-135.281.3167.7-158.2175.3-166.8-179.14.5113.2
507G33Very low34.7Very low73 Ų73151.9 Ų151.975%0.75378%0.778SS**  trans136.6103.4167.500000113.4
508L33.4Very low33.8Very low182 Ų182154.6 Ų154.695%0.95380%0.796SS**  trans-167.1114.7147.9-108.1166.6000108.2
509S29.5Very low33.3Very low114 Ų114151.9 Ų151.980%0.79779%0.794SS**  trans-105.6171.1172.545.90000110.5
510L33.7Very low32.9Very low167 Ų167149.8 Ų149.887%0.87480%0.801SS**  trans-54.7144.4-168.4-71.1157.8000114.7
511P31.6Very low32.3Very low126 Ų126152.9 Ų152.982%0.81881%0.814SS**  trans-75.8151176.532.7-35.4000112.5
512R29.6Very low31.6Very low235 Ų235155.3 Ų155.389%0.88782%0.82SS**  trans-144.1164167-145.1170-173.5145.43.2110.2
513E28.3Very low31.1Very low173 Ų173156.5 Ų156.581%0.80882%0.819SS**  trans-65.1152.7-160.4-61.8161.6104.700115.9
514P31.2Very low30.6Very low127 Ų127155.3 Ų155.383%0.82582%0.815SS**  trans-80.2148174.133.5-35000113.1
515K24.3Very low30.1Very low204 Ų204152.2 Ų152.289%0.88781%0.814SS**  trans-128.3156.8161.9-99.6-175.9176.9175.90110.9
516P33.3Very low29.5Very low114 Ų114149.1 Ų149.174%0.7481%0.812SS**  trans-85.4162.9-150.532.7-38.1000115.6
517P33.5Very low29Very low133 Ų133145.4 Ų145.486%0.86480%0.803SS**  trans-71.9169.4170.733.1-36.9000112.4
518N27Very low28.7Very low162 Ų162149.4 Ų149.487%0.86680%0.8SS**  trans-116.4160.1-165.6-150.1-11.9000113
519A27.8Very low28.4Very low86 Ų86146.4 Ų146.471%0.71179%0.785SS**  trans70.5100.6162.700000121.4
520A28.5Very low28.2Very low96 Ų96146.4 Ų146.479%0.79378%0.78SS**  110.9138.3111.600000122
521K28.5Very low28.2Very low200 Ų200144.3 Ų144.387%0.8778%0.776SS**  trans8590.1158.1-68.8178.1179.6173.40121.7
522K24.9Very low28Very low178 Ų178144 Ų14477%0.77477%0.772SS**  90.6122.4105.4-148.8-157.2175.1-1620120.1
523L26.5Very low27.6Very low126 Ų126137.8 Ų137.866%0.6677%0.765SS**  trans69.5149.2166.4-65.1153000115.7
524D26.3Very low27.5Very low128 Ų128138 Ų13868%0.68476%0.763SS**  cis-145.9177.10.1-138.7-23.1000114.7
525L26.9Very low27.2Very low150 Ų150136.5 Ų136.579%0.78576%0.755SS**  trans-36.7158.5-176.9-74.6154.5000122
526S25Very low27.3Very low113 Ų113133 Ų13379%0.7975%0.746SS**  trans102.7140.9141.6-168.40000118.9
527F26.3Very low27Very low167 Ų167135.4 Ų135.473%0.73275%0.745SS**  cis-173.6137.3-34.2-153.1-107.9000108.1
528K27.5Very low26.7Very low156 Ų156134.7 Ų134.768%0.67874%0.739SS**  trans63161.7166.8-85.4176.2153.5-92.50118.3
529D26.1Very low26.6Very low120 Ų120133.5 Ų133.564%0.64273%0.732SS**  cis-139.71742.6-122.7-33.6000112.5
530V25.8Very low26.5Very low114 Ų114136.8 Ų136.869%0.69174%0.737SS**  trans-140.1135.1-170.1165.70000112.1V532V530-V532 HydrophobicContact CG1-CG2 3.58Å
531P32.5Very low26.2Very low122 Ų122140.5 Ų140.579%0.79274%0.738SS**  -141.7142.7116.233-17000113
532V27.3Very low26Very low120 Ų120140.3 Ų140.373%0.72774%0.737SS**  cis82.1110.543.7174.40000114.9V530V530-V532 HydrophobicContact CG1-CG2 3.58Å
533S22.8Very low25.9Very low105 Ų105139.1 Ų139.173%0.73473%0.734SS**  trans-173.3120.4138.1-1720000114
534F24.8Very low25.7Very low178 Ų178137.7 Ų137.778%0.78174%0.735SS**  trans27125.1141.2-68.7-80.9000121.7
535S25.1Very low25.6Very low94 Ų94136.4 Ų136.466%0.65774%0.736SS**  77.2150.582.1-84.90000114.7
536D26.3Very low25.4Very low130 Ų130135.6 Ų135.670%0.69573%0.733SS**  cis-155.7175.9-0.5-129.1-64.4000113.8
537K28.2Very low25.4Very low166 Ų166136.5 Ų136.572%0.72273%0.729SS**  trans-33.2166.1173.1-76.6167.3171173.30124.4
538T26.4Very low25.5Very low118 Ų118136.3 Ų136.372%0.72473%0.73SS**  trans70.9153.6141.9460000118.9
539D25.1Very low25.4Very low137 Ų137136 Ų13673%0.73374%0.735SS**  cis-160.2179.41-131.8-39.4000114.3
540L25.1Very low25.4Very low154 Ų154134.5 Ų134.581%0.80673%0.734SS**  trans78.1162.1148.8-78.4163.7000123.7
541Q23.2Very low25.3Very low175 Ų175135.8 Ų135.882%0.81874%0.737SS**  trans-113.9167.1-175.1-51.1162.2-87.900111.5
542F23.9Very low25Very low196 Ų196138 Ų13886%0.8674%0.741SS**  trans-159.2175.3141-137.1-99.6000114.6
543E22.6Very low24.9Very low152 Ų152138.1 Ų138.171%0.7174%0.742SS**  trans-111.1164-164.9-57.8177.689.900116.3
544S22.2Very low25Very low96 Ų96140.4 Ų140.467%0.67175%0.745SS**  trans62131.7137.167.60000124.6
545S24.1Very low25Very low102 Ų102139.9 Ų139.971%0.71375%0.745SS**  95.3128.3128.6-88.20000124.4
546D23.8Very low25Very low133 Ų133144 Ų14471%0.71175%0.754SS**  trans78.7109.9135.5-66-50.3000125.3
547N25.5Very low25.1Very low131 Ų131143.1 Ų143.170%0.70176%0.758SS**  78.4122.8128.3-83.2-50000125.4
548Q27.1Very low24.9Very low164 Ų164140.6 Ų140.677%0.76676%0.759SS**  trans81.1119.6134.7-72.8-171.96.200124.3
549L25.8Very low24.9Very low150 Ų150140.4 Ų140.479%0.78576%0.762SS**  113.2126.7124.9-125.479.5000121.2
550S25.3Very low24.8Very low88 Ų88142.2 Ų142.262%0.61576%0.764SS**  trans74.5116.3149.4-870000123.5
551D25.4Very low25Very low140 Ų140140.5 Ų140.575%0.74976%0.76SS**  trans61.6105.9130.4-55-50.8000121.2
552L25.6Very low25.3Very low170 Ų170141.6 Ų141.689%0.8977%0.765SS**  -167157.792.2-102.1168.1000114.3
553V24.1Very low25.4Very low121 Ų121139.9 Ų139.973%0.73376%0.764SS**  trans-74.4136.6-172.1172.90000113.3
554L26.4Very low25.8Very low154 Ų154142.2 Ų142.281%0.80677%0.772SS**  -173.7102.1125.9-100.8171.8000114.3
555Q24.1Very low26.1Very low167 Ų167142 Ų14278%0.7877%0.771SS**  trans15.9107.3137.2-174.1-179.6-11.600119.8
556E25.3Very low26.5Very low179 Ų179146.2 Ų146.284%0.83678%0.779SS**  -167.6170.5113.2-105.7-166.6153.400112.8
557S27.1Very low26.7Very low112 Ų112147.8 Ų147.878%0.78378%0.78SS**PPolyproline II helixtrans-68.2135-160.7-50.30000116.6
558P25.9Very low26.7Very low114 Ų114147.5 Ų147.574%0.7478%0.783SS**PPolyproline II helixtrans-91142.816635-31.9000112.6
559S25.7Very low26.7Very low113 Ų113148 Ų14879%0.7978%0.783SS**PPolyproline II helixtrans-100.2118.8166.658.10000110.9
560F23.5Very low26.7Very low175 Ų175148 Ų14877%0.76878%0.784SS**  trans-128.9127.5163-86.7-109.2000105.7
561T29.4Very low26.7Very low118 Ų118149.2 Ų149.272%0.72479%0.791SS**  5075.165.671.30000112
562E28Very low26.8Very low199 Ų199148.3 Ų148.393%0.9380%0.796SS**  trans-69.1134.7166.9-69.2-177.6116.800110.2
563D26.2Very low27.4Very low159 Ų159145.6 Ų145.685%0.8579%0.789SS**  trans-95.9173.1177.6-154.2-10.9000110.8
564K31.6Very low27.6Very low201 Ų201145.5 Ų145.587%0.87479%0.793SS**  trans-88.7111.4-167.5-160-178.3-171.7-174.50111.4
565S29.3Very low27.7Very low92 Ų92146.5 Ų146.564%0.64379%0.793SS**  trans-117.8135169.760.20000112.2
566E31.6Very low28Very low191 Ų191144.5 Ų144.589%0.89379%0.793SS**  trans-73.6142.7172-63.3169.4120.100110.4
567F27.6Very low28.2Very low166 Ų166144.6 Ų144.673%0.72879%0.793SS**  trans-127.699.3168.6-100.7-85000110.5F569F567-F569 HydrophobicContact CD1-CE2 4.36Å
568T25.5Very low28.5Very low125 Ų125148.8 Ų148.877%0.76780%0.8SS**  trans-66134.8163-49.10000108.9
569F27.5Very low28.7Very low175 Ų175149.5 Ų149.577%0.76881%0.808SS**  trans-118.4101.6170.2-99.3-87.4000110.1F567F567-F569 HydrophobicContact CD1-CE2 4.36Å
570D25.1Very low29Very low150 Ų150153.1 Ų153.180%0.80281%0.812SS**  trans-67.5145.5156-79.8-56.6000109.7
571C26.9Very low29.4Very low113 Ų113153.4 Ų153.476%0.76482%0.821SS**  trans-141.5124.3169.7-84.70000109.9
572S27.8Very low29.4Very low121 Ų121151.1 Ų151.185%0.84682%0.821SS**  trans-143.3150.4165.3-79.40000108.6
573P36.9Very low29.4Very low113 Ų113148.2 Ų148.273%0.73482%0.821SS**PPolyproline II helixtrans-91.7148.8-14433.6-36.8000114.8
574S27.8Very low29.8Very low118 Ų118147.5 Ų147.583%0.82582%0.817SS**PPolyproline II helixtrans-88120.3164.555.10000110.9
575H29.9Very low29.8Very low175 Ų175145.6 Ų145.681%0.8181%0.811SS**PPolyproline II helixtrans-73.9154.1168.4-88.8-114.4000112
576T30.1Very low29.9Very low126 Ų126148.5 Ų148.577%0.77382%0.819SS**  trans-132.810515049.80000110.2
577E30.1Very low31Very low181 Ų181144.7 Ų144.785%0.84681%0.811SS**  trans55107.7136.1-54.9-175.3144.700120.4
578E31.5Very low31Very low200 Ų200141.9 Ų141.994%0.93582%0.818SS**  trans-121.6152.6135.8-72.3-153.611800108.8
579S30.9Very low31.1Very low128 Ų128143.2 Ų143.290%0.89582%0.821SS**  trans-81.8143.5-162.3-52.60000115.6
580E32.9Very low32.1Very low190 Ų190139.4 Ų139.489%0.88881%0.814SS**  trans-74.5152.8166.3-61-177.1119.200112.9
581L31.5Very low32.3Very low180 Ų180138.6 Ų138.694%0.94282%0.815SS**  trans-147.7102.5154.4-117.2169000107.7
582G29.1Very low33.4Very low70 Ų70138.7 Ų138.772%0.72281%0.814SS**  trans-89.2168.5-167.900000115.6
583C27.9Very low33.4Very low139 Ų139137.6 Ų137.694%0.93981%0.812SS**  trans-131146164.1-73.10000107.9
584D34.3Very low34Very low144 Ų144137 Ų13777%0.7781%0.808SS**  trans-134.5143.5-164.3-141.9-15.1000113
585H32.2Very low33.9Very low161 Ų161138.1 Ų138.175%0.74581%0.805SS**  trans61.1102.1167.5-7451.4000121.4
586D31.9Very low33.8Very low152 Ų152137.7 Ų137.781%0.81380%0.803SS**  36.8167.1103.9-98.4-30.7000123
587P52.9Low33.8Very low112 Ų112137.5 Ų137.573%0.72780%0.801SS**  cis-138.3174.1-12.137.9-20.3000115.9
588A27.4Very low33.8Very low106 Ų106136 Ų13688%0.87680%0.795SS**  trans171.2155.8137.400000115.5
589D29.3Very low33.5Very low154 Ų154133.7 Ų133.782%0.82478%0.783SS**  trans-114.5176.7177.8-137.5-6.1000109.3
590P47.6Very low33.4Very low94 Ų94133.1 Ų133.161%0.6177%0.767SS**  cis-138.3-162.9-16.840.2-20000114.8
591T28.8Very low33.1Very low134 Ų134131.7 Ų131.782%0.82276%0.76SS**  trans79.4155.215633.10000122
592P51.3Low32.8Very low115 Ų115127.4 Ų127.475%0.74775%0.745SS**  trans-127.5160.1-162.542.8-28.3000119.1
593A26.7Very low33.1Very low97 Ų97129.4 Ų129.480%0.80275%0.748SS**  trans64168.8155.500000118.9
594P48.9Very low33.9Very low100 Ų100128.2 Ų128.265%0.64974%0.738SS**  cis-126.7-171.4-22.342.3-27.2000113.4
595D26.6Very low33.7Very low143 Ų143127.1 Ų127.177%0.76574%0.737SS**  trans57.3159.9152.4-52.9-24.5000119.9
596E28.6Very low33.5Very low165 Ų165126.7 Ų126.777%0.77174%0.739SS**  cis-164.4170-21.1-118.7-164.7155.800108.9
597V30.2Very low33.4Very low122 Ų122124.9 Ų124.974%0.73973%0.73SS**  trans65.4139.2148.3163.50000118.9
598E28.8Very low32.2Very low151 Ų151125.9 Ų125.971%0.70673%0.734SS**  cis-139.6-136-8-140.7-152.3107.100110.6E600E598-E600 PolarHBondContact OE1-N 3.21Å
599Q26.5Very low32.4Very low150 Ų150126.7 Ų126.770%0.70172%0.724SS**  cis-152.3138.54.9-153-170.6-27.100115
600E27.4Very low32.4Very low117 Ų117128.8 Ų128.855%0.54773%0.728SS.*  trans40.6142.1150-73.5-174.2116.100128.6E598E598-E600 PolarHBondContact OE1-N 3.21Å
601H27Very low31.6Very low160 Ų160129.5 Ų129.574%0.74174%0.735SS**  trans79.4142.6144-73.914.2000121.6
602S25.7Very low32Very low89 Ų89132.2 Ų132.262%0.62274%0.739SS**  cis-171144.8-17.958.40000113.7
603S34.7Very low31.9Very low113 Ų113132.8 Ų132.879%0.7974%0.743SS**  trans63.6161.6150.970.80000119.7
604P44.2Very low31.9Very low114 Ų114132 Ų13274%0.7474%0.744SS**  cis-127.2156.19.137.8-19.5000119.5
605T30.3Very low30.9Very low120 Ų120130.7 Ų130.774%0.73675%0.749SS**  trans-10.3159.9148.6500000120.5
606L28.7Very low31.1Very low152 Ų152133.9 Ų133.980%0.79676%0.759SS**  cis-155.215739.9-166.867.3000115.6
607N30Very low31.1Very low114 Ų114129.5 Ų129.561%0.6176%0.758SS**  trans-58.2171.8-175.9-41.35.3000115.8
608T28.5Very low31.2Very low133 Ų133128.9 Ų128.982%0.81676%0.759SS**  -159.2142.788-62.10000113.1
609D30.1Very low31.3Very low124 Ų124128 Ų12866%0.66376%0.764SS**  trans-78162.8-179.2-41.6-101.5000114.8
610Q30.3Very low31.6Very low198 Ų198126.6 Ų126.693%0.92577%0.766SS**  -179.5152.7117.6-99.6164.858.700113.7
611S30.3Very low31.8Very low108 Ų108129.1 Ų129.176%0.75578%0.777SS**  trans-150.5122.3177.158.30000112
612E36.3Very low32.2Very low192 Ų192126.9 Ų126.990%0.89778%0.775SS**  trans64170.2165.6-60.2-143.1128.800117.1
613P50.2Low32.5Very low127 Ų127130.6 Ų130.683%0.82578%0.78SS**  cis-127.71770.441.9-26.7000115.8
614G26.6Very low32.8Very low81 Ų81131.4 Ų131.484%0.83578%0.775SS**  trans-171.112816800000112.8
615G28Very low32.5Very low72 Ų72135.5 Ų135.574%0.74278%0.784SS**  trans-111.3-162.5-169.800000116.4
616E31.3Very low33.1Very low210 Ų210134.7 Ų134.798%0.98178%0.783SS**  trans71.1141.3177.7-49.6-171.9117.300116.3
617G29.3Very low33.6Very low73 Ų73137 Ų13775%0.75379%0.79SS**  cis176.7153.2-9.600000115
618S30.6Very low34.7Very low109 Ų109141.3 Ų141.376%0.76283%0.827SS**  trans56.5116.8156.6-71.70000124.3
619T32.1Very low35Very low133 Ų133141.8 Ų141.882%0.81683%0.828SS**  trans62.5141.8134.167.10000119.2
620V32.4Very low35.3Very low120 Ų120142.7 Ų142.773%0.72784%0.836SS**  cis-158.914443168.50000106.2
621H32.5Very low35.6Very low170 Ų170139.6 Ų139.679%0.78783%0.831SS**  -166154.264.2-137.4-49.6000114.3
622T33.6Very low35.9Very low112 Ų112141.5 Ų141.569%0.68784%0.836SS**  trans-63.3167.1164.6150000115.3
623K33.7Very low35.9Very low168 Ų168138.3 Ų138.373%0.7383%0.832SS**  cis-161.7160.60.5-170.2159.2179.5174.50112.5
624D39.6Very low34.9Very low130 Ų130139.1 Ų139.170%0.69583%0.832SS**  trans-29148.1169.3-7.8-48.2000120.4
625Q39.2Very low35.5Very low200 Ų200143.2 Ų143.294%0.93583%0.832SS**  -156.6173.6116.1-114.7178.724.900112.9
626S41Very low36.1Very low102 Ų102148.7 Ų148.771%0.71384%0.839SS**  trans-116.6133.7-155.2560000116
627E40.6Very low36.5Very low202 Ų202143.6 Ų143.694%0.94483%0.827SS**  trans-121.1159.6137-69.1-171.1114.600107.5
628C53.1Low37.1Very low204 Ų204150 Ų150100%1.37883%0.834SS**  trans-970-159-64.40000115.7

Retrieved 628 of 628 residues in 492.3 ms (Link to these results)

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