A0A077ZM54_TRITR Loading...

HMG box domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZM54, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 330 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
1M28.2Very low65.9Low224 Ų22490.3 Ų90.3100%1.10346%0.459SS*.  0127.90-75.6-176170.600108.8K3M1-K3 PolarHBondContact O-N 3Å
2P30.3Very low68.1Low105 Ų10583.2 Ų83.268%0.68242%0.422SS*.  trans-60.9133.9176-1528000110K4P2-K4 PolarHBondContact O-N 2.84Å
3K39.5Very low69.9Low164 Ų16476.8 Ų76.871%0.71339%0.39SS*.  trans-61.195.4179.7-67.7-176.3176.1-170.10110.1M1 N5 N63M1-K3 PolarHBondContact O-N 3Å; K3-N5 PolarHBondContact O-N 2.95Å; K3-N63 PolarHBondContact NZ-OD1 3.49Å
4K54.4Low71.3Confident156 Ų15671.9 Ų71.968%0.67837%0.365SS*.  trans-74117.8171.7-69.2-175.4-179.4-178.80107.8P2 L6 L72P2-K4 PolarHBondContact O-N 2.84Å; K4-L6 PolarHBondContact O-N 3.46Å; K4-L72 HydrophobicContact CD-CD1 3.4Å
5N62.3Low72.7Confident148 Ų14873.7 Ų73.779%0.79137%0.372SS*.  trans-53.4109.4178.1-78.6-15.1000110K3 T7K3-N5 PolarHBondContact O-N 2.95Å; N5-T7 PolarHBondContact O-N 3.21Å; N5-T7 VanDerWaalsContact O-N 3.08Å
6L75.3Confident74.1Confident28 Ų2872.7 Ų72.715%0.14737%0.368CS..  trans-66105.7172.5-176.664.1000108K4 V10 F11 L56 L59 Y65 V67K4-L6 PolarHBondContact O-N 3.46Å; L6-V10 HydrophobicContact CD1-CB 4.35Å; L6-V10 HydrophobicContact CD1-CG1 3.95Å; L6-F11 HydrophobicContact CD1-CB 4.01Å; L6-F11 HydrophobicContact CD2-CD2 4.19Å; L6-F11 HydrophobicContact CG-CB 4.18Å; L6-L56 HydrophobicContact CB-CD1 4.32Å; L6-L56 HydrophobicContact CD2-CD1 3.38Å; L6-L56 HydrophobicContact CG-CD1 3.6Å; L6-L56 WeakPolarHBondContact O-CD2 3.47Å; L6-L59 HydrophobicContact CD2-CD1 3.97Å; L6-Y65 HydrophobicContact CD1-CD1 3.83Å; L6-Y65 HydrophobicContact CD1-CE1 3.89Å; L6-Y65 HydrophobicContact CD2-CD1 3.34Å; L6-Y65 HydrophobicContact CD2-CE1 3.98Å; L6-Y65 HydrophobicContact CD2-CG 3.71Å; L6-Y65 HydrophobicContact CG-CD1 4.24Å; L6-V67 HydrophobicContact CD1-CG2 3.73Å
7T84.8Confident75.1Confident58 Ų5868.5 Ų68.536%0.35635%0.346SS..  trans-89.9159.6176.462.50000110.3N5 Y9 V10 F11N5-T7 PolarHBondContact O-N 3.21Å; N5-T7 VanDerWaalsContact O-N 3.08Å; T7-Y9 PolarHBondContact O-N 3.47Å; T7-Y9 VanDerWaalsContact O-N 3.15Å; T7-V10 PolarHBondContact O-N 3.36Å; T7-V10 VanDerWaalsContact O-N 3.1Å; T7-V10 WeakPolarHBondContact OG1-CG2 3.46Å; T7-V10 PolarHBondContact OG1-N 3.27Å; T7-V10 VanDerWaalsContact OG1-N 3.15Å; T7-F11 WeakPolarHBondContact O-CB 3.37Å; T7-F11 PolarHBondContact O-N 3.15Å
8P84.9Confident75.8Confident40 Ų4068.3 Ų68.326%0.2636%0.357SS..Hα-helixtrans-53.7-34.8174.1-27.434.6000113Y12 W41 K53 L56P8-Y12 VanDerWaalsContact O-CB 3.27Å; P8-Y12 WeakPolarHBondContact O-CB 3.4Å; P8-Y12 PolarHBondContact O-N 3.48Å; P8-W41 HydrophobicContact CB-CH2 4.06Å; P8-K53 HydrophobicContact CG-CB 4.12Å; P8-K53 HydrophobicContact CG-CG 4.22Å; P8-L56 HydrophobicContact CB-CD2 4.5Å; P8-L56 HydrophobicContact CG-CD2 3.89Å
9Y89.8Confident76.4Confident40 Ų4068.5 Ų68.516%0.15736%0.356CS..Hα-helixtrans-66.5-52174.7175.2-109.5000112.2T7 F11 Y12 M13 D38 W41 I75T7-Y9 PolarHBondContact O-N 3.47Å; T7-Y9 VanDerWaalsContact O-N 3.15Å; Y9-F11 VanDerWaalsContact C-N 3.27Å; Y9-F11 PolarHBondContact O-N 2.82Å; Y9-Y12 WeakPolarHBondContact O-CB 3.44Å; Y9-Y12 PolarHBondContact O-N 3.21Å; Y9-M13 HydrophobicContact CD1-CG 4.39Å; Y9-M13 HydrophobicContact CD2-CG 4.02Å; Y9-M13 HydrophobicContact CD2-SD 4.5Å; Y9-M13 HydrophobicContact CE1-CG 4.09Å; Y9-M13 HydrophobicContact CE2-CG 3.74Å; Y9-M13 HydrophobicContact CE2-SD 3.81Å; Y9-M13 HydrophobicContact CG-CG 4.38Å; Y9-M13 WeakPolarHBondContact O-CB 3.17Å; Y9-M13 WeakPolarHBondContact O-CG 3.03Å; Y9-M13 PolarHBondContact O-N 2.83Å; Y9-D38 PolarHBondContact OH-OD1 3.04Å; Y9-W41 HydrophobicContact CD2-CB 4.38Å; Y9-W41 AromaticContact CD2-CD1 3.37Å; Y9-W41 AromaticContact CD2-CD2 3.71Å; Y9-W41 HydrophobicContact CD2-CD2 3.71Å; Y9-W41 AromaticContact CD2-CE2 3.58Å; Y9-W41 AromaticContact CD2-CG 3.58Å; Y9-W41 HydrophobicContact CD2-CG 3.58Å; Y9-W41 HydrophobicContact CD2-CZ2 4.29Å; Y9-W41 AromaticContact CD2-NE1 3.37Å; Y9-W41 HydrophobicContact CE2-CB 4.24Å; Y9-W41 AromaticContact CE2-CD1 3.58Å; Y9-W41 HydrophobicContact CE2-CD2 4.42Å; Y9-W41 AromaticContact CE2-CG 3.83Å; Y9-W41 HydrophobicContact CE2-CG 3.83Å; Y9-I75 HydrophobicContact CD1-CD1 4.41Å; Y9-I75 HydrophobicContact CE1-CD1 3.85Å; Y9-I75 HydrophobicContact CE1-CG1 4.06Å; Y9-I75 HydrophobicContact CE1-CG2 3.72Å
10V87Confident76.7Confident18 Ų1865.9 Ų65.911%0.10934%0.342CS..Hα-helixtrans-62-40.2179.1173.50000110.6L6 T7 M13 N14 V67 L72 I75L6-V10 HydrophobicContact CD1-CB 4.35Å; L6-V10 HydrophobicContact CD1-CG1 3.95Å; T7-V10 PolarHBondContact O-N 3.36Å; T7-V10 VanDerWaalsContact O-N 3.1Å; T7-V10 WeakPolarHBondContact OG1-CG2 3.46Å; T7-V10 PolarHBondContact OG1-N 3.27Å; T7-V10 VanDerWaalsContact OG1-N 3.15Å; V10-M13 PolarHBondContact O-N 2.7Å; V10-N14 WeakPolarHBondContact O-CB 3.38Å; V10-N14 PolarHBondContact O-N 2.86Å; V10-V67 HydrophobicContact CG1-CG1 4Å; V10-V67 HydrophobicContact CG1-CG2 4.35Å; V10-L72 HydrophobicContact CG1-CD2 3.97Å; V10-L72 HydrophobicContact CG2-CD2 4.29Å; V10-I75 HydrophobicContact CG2-CD1 4.33Å
11F89Confident77Confident12 Ų1269.8 Ų69.85%0.05336%0.357CS..Hα-helixtrans-60.4-49.5175-178.9-116.7000111.7L6 T7 Y9 M13 N14 E15 W52 K55 L56 L59 Y65L6-F11 HydrophobicContact CD1-CB 4.01Å; L6-F11 HydrophobicContact CD2-CD2 4.19Å; L6-F11 HydrophobicContact CG-CB 4.18Å; T7-F11 WeakPolarHBondContact O-CB 3.37Å; T7-F11 PolarHBondContact O-N 3.15Å; Y9-F11 VanDerWaalsContact C-N 3.27Å; Y9-F11 PolarHBondContact O-N 2.82Å; F11-M13 PolarHBondContact O-N 2.79Å; F11-N14 PolarHBondContact O-N 3.14Å; F11-E15 HydrophobicContact CD2-CG 4.37Å; F11-E15 HydrophobicContact CE2-CG 4.04Å; F11-E15 HydrophobicContact CZ-CG 4.18Å; F11-E15 WeakPolarHBondContact O-CG 3.29Å; F11-E15 PolarHBondContact O-N 3.48Å; F11-W52 HydrophobicContact CD1-CE3 4.02Å; F11-W52 HydrophobicContact CE1-CE3 4.04Å; F11-W52 HydrophobicContact CE1-CZ3 4.32Å; F11-K55 HydrophobicContact CE1-CB 3.76Å; F11-K55 HydrophobicContact CZ-CB 4.45Å; F11-L56 HydrophobicContact CB-CD1 4.29Å; F11-L56 HydrophobicContact CD1-CB 3.97Å; F11-L56 HydrophobicContact CD2-CD1 4.4Å; F11-L56 HydrophobicContact CE1-CB 4.38Å; F11-L56 HydrophobicContact CG-CB 4.35Å; F11-L56 HydrophobicContact CG-CD1 4.2Å; F11-L59 HydrophobicContact CD2-CD1 4.21Å; F11-L59 HydrophobicContact CE2-CD1 3.78Å; F11-L59 HydrophobicContact CE2-CD2 4.47Å; F11-L59 HydrophobicContact CE2-CG 4.44Å; F11-L59 HydrophobicContact CZ-CD1 4.34Å; F11-Y65 HydrophobicContact CD2-CD1 4.47Å; F11-Y65 AromaticContact CD2-CE1 3.79Å; F11-Y65 HydrophobicContact CD2-CE1 3.79Å; F11-Y65 AromaticContact CD2-CE2 3.9Å; F11-Y65 HydrophobicContact CD2-CE2 3.9Å; F11-Y65 AromaticContact CD2-CZ 3.46Å; F11-Y65 VanDerWaalsContact CD2-CZ 3.46Å; F11-Y65 WeakPolarHBondContact CD2-OH 3.43Å; F11-Y65 HydrophobicContact CE2-CD2 4.17Å; F11-Y65 HydrophobicContact CE2-CE1 4.25Å; F11-Y65 AromaticContact CE2-CE2 3.47Å; F11-Y65 HydrophobicContact CE2-CE2 3.47Å; F11-Y65 VanDerWaalsContact CE2-CE2 3.47Å; F11-Y65 AromaticContact CE2-CZ 3.5Å
12Y92.2Very high79.6Confident5 Ų562.7 Ų62.72%0.0232%0.323CS..Hα-helixtrans-55.5-51.1174.6172.6-106.3000112.4P8 Y9 N14 E15 N16 I37 K40 W41 M44 W52P8-Y12 VanDerWaalsContact O-CB 3.27Å; P8-Y12 WeakPolarHBondContact O-CB 3.4Å; P8-Y12 PolarHBondContact O-N 3.48Å; Y9-Y12 WeakPolarHBondContact O-CB 3.44Å; Y9-Y12 PolarHBondContact O-N 3.21Å; Y12-N14 VanDerWaalsContact C-N 3.3Å; Y12-N14 PolarHBondContact O-N 3.12Å; Y12-E15 PolarHBondContact O-N 2.83Å; Y12-N16 WeakPolarHBondContact CD2-ND2 3.42Å; Y12-N16 HydrophobicContact CE2-CB 4.19Å; Y12-N16 WeakPolarHBondContact CE2-ND2 3.48Å; Y12-N16 WeakPolarHBondContact O-CB 3.44Å; Y12-N16 PolarHBondContact O-N 3.25Å; Y12-N16 PolarHBondContact O-ND2 3.14Å; Y12-I37 HydrophobicContact CD1-CG2 4.05Å; Y12-I37 HydrophobicContact CE1-CG2 3.37Å; Y12-K40 WeakPolarHBondContact OH-CB 3.36Å; Y12-W41 HydrophobicContact CD1-CB 3.85Å; Y12-W41 HydrophobicContact CD1-CD2 4.04Å; Y12-W41 AromaticContact CD1-CE3 3.39Å; Y12-W41 HydrophobicContact CD1-CE3 3.39Å; Y12-W41 HydrophobicContact CD1-CG 4.26Å; Y12-W41 HydrophobicContact CD1-CZ3 4.22Å; Y12-W41 HydrophobicContact CD2-CE3 4.15Å; Y12-W41 HydrophobicContact CD2-CZ3 4.43Å; Y12-W41 HydrophobicContact CE1-CB 3.64Å; Y12-W41 HydrophobicContact CE1-CE3 4.04Å; Y12-W41 HydrophobicContact CE1-CG 4.49Å; Y12-W41 HydrophobicContact CG-CD2 4.47Å; Y12-W41 AromaticContact CG-CE3 3.44Å; Y12-W41 HydrophobicContact CG-CE3 3.44Å; Y12-W41 VanDerWaalsContact CG-CE3 3.44Å; Y12-W41 AromaticContact CG-CZ3 3.82Å; Y12-W41 HydrophobicContact CG-CZ3 3.82Å; Y12-M44 HydrophobicContact CD2-CE 4.37Å; Y12-M44 HydrophobicContact CE1-CE 4.46Å; Y12-M44 HydrophobicContact CE2-CE 3.46Å; Y12-M44 VanDerWaalsContact CE2-CE 3.46Å; Y12-M44 HydrophobicContact CE2-SD 4.34Å; Y12-M44 WeakPolarHBondContact OH-CE 3.41Å; Y12-W52 AromaticContact CD2-CD2 3.62Å; Y12-W52 HydrophobicContact CD2-CD2 3.62Å; Y12-W52 AromaticContact CD2-CE2 3.25Å; Y12-W52 HydrophobicContact CD2-CE3 4.01Å; Y12-W52 HydrophobicContact CD2-CG 4.25Å; Y12-W52 AromaticContact CD2-CH2 3.79Å; Y12-W52 HydrophobicContact CD2-CH2 3.79Å; Y12-W52 AromaticContact CD2-CZ2 3.37Å; Y12-W52 HydrophobicContact CD2-CZ2 3.37Å; Y12-W52 HydrophobicContact CD2-CZ3 4.07Å; Y12-W52 AromaticContact CD2-NE1 3.61Å; Y12-W52 AromaticContact CE2-CE2 3.71Å; Y12-W52 HydrophobicContact CE2-CH2 4.22Å; Y12-W52 AromaticContact CE2-CZ2 3.56Å; Y12-W52 HydrophobicContact CE2-CZ2 3.56Å; Y12-W52 AromaticContact CE2-NE1 3.87Å; Y12-W52 HydrophobicContact CG-CD2 4.37Å
13M91.2Very high81.6Confident0 Ų062.6 Ų62.60%032%0.323CS..Hα-helixtrans-62-40-178.6-65.3-65.3-68.500111.4Y9 V10 F11 N16 V17 V34 I37 D38 L71 I75 L78Y9-M13 HydrophobicContact CD1-CG 4.39Å; Y9-M13 HydrophobicContact CD2-CG 4.02Å; Y9-M13 HydrophobicContact CD2-SD 4.5Å; Y9-M13 HydrophobicContact CE1-CG 4.09Å; Y9-M13 HydrophobicContact CE2-CG 3.74Å; Y9-M13 HydrophobicContact CE2-SD 3.81Å; Y9-M13 HydrophobicContact CG-CG 4.38Å; Y9-M13 WeakPolarHBondContact O-CB 3.17Å; Y9-M13 WeakPolarHBondContact O-CG 3.03Å; Y9-M13 PolarHBondContact O-N 2.83Å; V10-M13 PolarHBondContact O-N 2.7Å; F11-M13 PolarHBondContact O-N 2.79Å; M13-N16 PolarHBondContact O-N 3.42Å; M13-V17 HydrophobicContact CE-CG2 4.29Å; M13-V17 WeakPolarHBondContact O-CB 3.47Å; M13-V17 VanDerWaalsContact O-CG2 3.23Å; M13-V17 WeakPolarHBondContact O-CG2 3.21Å; M13-V17 PolarHBondContact O-N 3.2Å; M13-V34 HydrophobicContact CE-CB 4.47Å; M13-V34 HydrophobicContact CE-CG1 3.61Å; M13-V34 WeakPolarHBondContact CE-O 3.32Å; M13-I37 HydrophobicContact CE-CB 4.31Å; M13-I37 HydrophobicContact CE-CG2 4.3Å; M13-I37 HydrophobicContact SD-CB 4.2Å; M13-I37 HydrophobicContact SD-CG2 3.62Å; M13-D38 HydrophobicContact CE-CB 4.21Å; M13-L71 HydrophobicContact CB-CD1 3.93Å; M13-L71 HydrophobicContact CB-CD2 3.86Å; M13-L71 HydrophobicContact CB-CG 4.39Å; M13-L71 HydrophobicContact CE-CD1 4.43Å; M13-I75 HydrophobicContact CB-CD1 4.12Å; M13-I75 HydrophobicContact CE-CG1 4.45Å; M13-I75 HydrophobicContact CG-CD1 4.1Å; M13-L78 HydrophobicContact CE-CD1 4.42Å
14N90Very high83.5Confident8 Ų861.8 Ų61.84%0.04333%0.326CS..Hα-helixtrans-67.3-35.7179.7-16373.1000112.8V10 F11 Y12 Y65 R66 V67 Y68 L71V10-N14 WeakPolarHBondContact O-CB 3.38Å; V10-N14 PolarHBondContact O-N 2.86Å; F11-N14 PolarHBondContact O-N 3.14Å; Y12-N14 VanDerWaalsContact C-N 3.3Å; Y12-N14 PolarHBondContact O-N 3.12Å; N14-Y65 HydrophobicContact CB-CE1 4.39Å; N14-Y65 VanDerWaalsContact ND2-CE1 3.33Å; N14-Y65 WeakPolarHBondContact ND2-CE1 3.38Å; N14-Y65 PolarHBondContact ND2-OH 3.22Å; N14-R66 PolarHBondContact ND2-O 3.27Å; N14-V67 WeakPolarHBondContact OD1-CA 3.14Å; N14-Y68 WeakPolarHBondContact OD1-CD2 3.35Å; N14-Y68 PolarHBondContact OD1-N 3.2Å; N14-L71 HydrophobicContact CB-CD2 3.7Å
15E92.3Very high84.6Confident99 Ų9956.2 Ų56.246%0.46330%0.304SS..Hα-helixtrans-77.2-31.6177-70.9-62.3126.500113.2F11 Y12 W52 Y65F11-E15 HydrophobicContact CD2-CG 4.37Å; F11-E15 HydrophobicContact CE2-CG 4.04Å; F11-E15 HydrophobicContact CZ-CG 4.18Å; F11-E15 WeakPolarHBondContact O-CG 3.29Å; F11-E15 PolarHBondContact O-N 3.48Å; Y12-E15 PolarHBondContact O-N 2.83Å; E15-W52 HydrophobicContact CB-CZ3 4.27Å; E15-W52 HydrophobicContact CG-CZ3 4.47Å; E15-Y65 WeakPolarHBondContact CG-OH 3.47Å; E15-Y65 PolarHBondContact OE1-OH 3.46Å
16N94.1Very high85.3Confident58 Ų5853.6 Ų53.631%0.3129%0.29SS..Hα-helixtrans-105.3-15.2-167.3-70.1-94.1000115Y12 M13 A18 I37 W52Y12-N16 WeakPolarHBondContact CD2-ND2 3.42Å; Y12-N16 HydrophobicContact CE2-CB 4.19Å; Y12-N16 WeakPolarHBondContact CE2-ND2 3.48Å; Y12-N16 WeakPolarHBondContact O-CB 3.44Å; Y12-N16 PolarHBondContact O-N 3.25Å; Y12-N16 PolarHBondContact O-ND2 3.14Å; M13-N16 PolarHBondContact O-N 3.42Å; N16-A18 PolarHBondContact O-N 3.43Å; N16-I37 HydrophobicContact CB-CD1 4.31Å; N16-I37 HydrophobicContact CB-CG2 3.8Å; N16-W52 WeakPolarHBondContact ND2-CH2 3.32Å
17V90.7Very high85.3Confident1 Ų156.6 Ų56.61%0.00631%0.306CS..  trans-85.785.5172-176.20000108.6M13 E19 L20 L30 A33 V34 I37M13-V17 HydrophobicContact CE-CG2 4.29Å; M13-V17 WeakPolarHBondContact O-CB 3.47Å; M13-V17 VanDerWaalsContact O-CG2 3.23Å; M13-V17 WeakPolarHBondContact O-CG2 3.21Å; M13-V17 PolarHBondContact O-N 3.2Å; V17-E19 HydrophobicContact CG1-CB 4.18Å; V17-E19 PolarHBondContact O-N 2.67Å; V17-E19 VanDerWaalsContact O-N 3.16Å; V17-L20 HydrophobicContact CB-CD1 3.74Å; V17-L20 HydrophobicContact CB-CG 3.9Å; V17-L20 HydrophobicContact CG1-CD1 4.17Å; V17-L20 HydrophobicContact CG1-CG 3.75Å; V17-L20 WeakPolarHBondContact O-CB 3.42Å; V17-L20 WeakPolarHBondContact O-CG 3.31Å; V17-L20 PolarHBondContact O-N 2.91Å; V17-L20 VanDerWaalsContact O-N 3.07Å; V17-L30 HydrophobicContact CG1-CD1 4.01Å; V17-A33 HydrophobicContact CG1-CB 4.14Å; V17-V34 HydrophobicContact CG1-CG2 3.96Å; V17-V34 HydrophobicContact CG2-CG2 4.17Å; V17-I37 HydrophobicContact CG2-CB 3.88Å; V17-I37 HydrophobicContact CG2-CG1 3.73Å; V17-I37 HydrophobicContact CG2-CG2 4.13Å
18A87.7Confident84.8Confident65 Ų6563.2 Ų63.254%0.53732%0.324SS..G310 helixtrans-56.5-32.7-176.800000112.8N16 L20 K21N16-A18 PolarHBondContact O-N 3.43Å; A18-L20 PolarHBondContact O-N 3.25Å; A18-K21 WeakPolarHBondContact O-CB 2.97Å; A18-K21 PolarHBondContact O-N 3.15Å; A18-K21 VanDerWaalsContact O-N 3.08Å
19E88.4Confident84.6Confident73 Ų7363.6 Ų63.634%0.34133%0.328SS..G310 helixtrans-58.3-24.7178.4-72.279-173.100113.6V17 K21 N22 L25 L30 A33V17-E19 HydrophobicContact CG1-CB 4.18Å; V17-E19 PolarHBondContact O-N 2.67Å; V17-E19 VanDerWaalsContact O-N 3.16Å; E19-K21 PolarHBondContact O-N 2.93Å; E19-K21 VanDerWaalsContact O-N 3.15Å; E19-N22 PolarHBondContact O-N 3.07Å; E19-L25 HydrophobicContact CB-CD2 3.51Å; E19-L25 HydrophobicContact CG-CD2 3.57Å; E19-L30 HydrophobicContact CB-CD1 3.8Å; E19-A33 HydrophobicContact CB-CB 4.13Å; E19-A33 HydrophobicContact CG-CB 3.71Å; E19-A33 WeakPolarHBondContact OE2-CB 3.41Å
20L82.8Confident84.3Confident15 Ų1561.9 Ų61.98%0.07932%0.321CS..G310 helixtrans-60.2-24.6175.8-69.5169.2000112.5V17 A18 N22 L30 Y68 L71V17-L20 HydrophobicContact CB-CD1 3.74Å; V17-L20 HydrophobicContact CB-CG 3.9Å; V17-L20 HydrophobicContact CG1-CD1 4.17Å; V17-L20 HydrophobicContact CG1-CG 3.75Å; V17-L20 WeakPolarHBondContact O-CB 3.42Å; V17-L20 WeakPolarHBondContact O-CG 3.31Å; V17-L20 PolarHBondContact O-N 2.91Å; V17-L20 VanDerWaalsContact O-N 3.07Å; A18-L20 PolarHBondContact O-N 3.25Å; L20-N22 VanDerWaalsContact C-N 3.27Å; L20-L30 HydrophobicContact CD2-CD1 3.94Å; L20-L30 HydrophobicContact CD2-CD2 4.38Å; L20-L30 HydrophobicContact CG-CD1 4.36Å; L20-Y68 HydrophobicContact CB-CD1 4.17Å; L20-Y68 HydrophobicContact CB-CD2 3.69Å; L20-Y68 HydrophobicContact CB-CE2 4.13Å; L20-Y68 HydrophobicContact CB-CG 3.73Å; L20-Y68 HydrophobicContact CD1-CD2 3.93Å; L20-Y68 HydrophobicContact CD1-CG 4.27Å; L20-Y68 HydrophobicContact CD2-CG 4.46Å; L20-Y68 HydrophobicContact CG-CD2 4.36Å; L20-Y68 HydrophobicContact CG-CG 4.37Å; L20-Y68 WeakPolarHBondContact O-CD1 3.5Å; L20-Y68 WeakPolarHBondContact O-CE1 3.28Å; L20-L71 HydrophobicContact CD1-CB 3.95Å; L20-L71 HydrophobicContact CD1-CD1 4.19Å; L20-L71 HydrophobicContact CD1-CD2 4.01Å; L20-L71 HydrophobicContact CD1-CG 4.26Å; L20-L71 HydrophobicContact CD2-CB 3.85Å
21K82.1Confident84.1Confident149 Ų14963.5 Ų63.565%0.64833%0.329SS*.G310 helixtrans-78.1-12.2178.1-58.1-176.5178.9175.90112.8A18 E19 P23A18-K21 WeakPolarHBondContact O-CB 2.97Å; A18-K21 PolarHBondContact O-N 3.15Å; A18-K21 VanDerWaalsContact O-N 3.08Å; E19-K21 PolarHBondContact O-N 2.93Å; E19-K21 VanDerWaalsContact O-N 3.15Å; K21-P23 VanDerWaalsContact O-CD 3.31Å; K21-P23 WeakPolarHBondContact O-CD 3.36Å
22N82.8Confident83.9Confident74 Ų7466.9 Ų66.940%0.39635%0.348SS..  trans-100103.7-179.8-172.8-7.4000111.1E19 L20 N24 L25E19-N22 PolarHBondContact O-N 3.07Å; L20-N22 VanDerWaalsContact C-N 3.27Å; N22-N24 PolarHBondContact O-N 3.46Å; N22-N24 PolarHBondContact OD1-N 2.97Å; N22-L25 HydrophobicContact CB-CB 4.33Å; N22-L25 PolarHBondContact O-N 3.48Å
23P72.5Confident83.7Confident104 Ų10466.9 Ų66.968%0.67535%0.349SS*.THydrogen-bonded Turntrans-65.6-23.3-18027.2-34.1000113.1K21 L25K21-P23 VanDerWaalsContact O-CD 3.31Å; K21-P23 WeakPolarHBondContact O-CD 3.36Å; P23-L25 VanDerWaalsContact C-N 3.35Å
24N78.6Confident83.6Confident147 Ų14766.9 Ų66.979%0.78635%0.349SS*.THydrogen-bonded Turntrans-88.9-0.5-175-61.6-25000113.3N22N22-N24 PolarHBondContact O-N 3.46Å; N22-N24 PolarHBondContact OD1-N 2.97Å
25L78.4Confident83.5Confident38 Ų3868.9 Ų68.920%0.19936%0.359CS..  trans-74133.5179.5-160.974.5000110.7E19 N22 P23 L30 R70E19-L25 HydrophobicContact CB-CD2 3.51Å; E19-L25 HydrophobicContact CG-CD2 3.57Å; N22-L25 HydrophobicContact CB-CB 4.33Å; N22-L25 PolarHBondContact O-N 3.48Å; P23-L25 VanDerWaalsContact C-N 3.35Å; L25-L30 HydrophobicContact CD2-CB 4.07Å; L25-R70 PolarHBondContact O-NH1 3.33Å
26N77.8Confident83.4Confident93 Ų9370.1 Ų70.150%0.49737%0.365SS..  trans-67.8154174.873.354.6000111.3R28 S29 L30N26-R28 PolarHBondContact O-N 3.2Å; N26-R28 PolarHBondContact OD1-N 2.93Å; N26-R28 VanDerWaalsContact OD1-N 3.14Å; N26-S29 PolarHBondContact ND2-OG 2.93Å; N26-S29 PolarHBondContact O-N 3.49Å; N26-S29 WeakPolarHBondContact OD1-CB 3.45Å; N26-S29 PolarHBondContact OD1-N 3.4Å; N26-S29 PolarHBondContact OD1-OG 3.43Å; N26-L30 PolarHBondContact O-N 3.33Å; N26-L30 VanDerWaalsContact O-N 3.11Å
27N73.5Confident83.3Confident91 Ų9168 Ų6849%0.48735%0.354SS..Hα-helixtrans-60.8-30.5-175.5-74.2-12.2000113.4L31 R70 M74N27-L31 VanDerWaalsContact O-CB 3.3Å; N27-L31 WeakPolarHBondContact O-CB 3.5Å; N27-L31 PolarHBondContact O-N 2.94Å; N27-R70 PolarHBondContact OD1-NH2 3.49Å; N27-M74 HydrophobicContact CB-CE 4.03Å; N27-M74 WeakPolarHBondContact O-CE 3.42Å
28R74.2Confident83.3Confident198 Ų19868.3 Ų68.375%0.74736%0.355SS*.Hα-helixtrans-70.1-46.4-179.6-174178.3-178.11780.2111.6N26 L30 L31 N32N26-R28 PolarHBondContact O-N 3.2Å; N26-R28 PolarHBondContact OD1-N 2.93Å; N26-R28 VanDerWaalsContact OD1-N 3.14Å; R28-L30 VanDerWaalsContact C-N 3.32Å; R28-L31 PolarHBondContact O-N 2.79Å; R28-N32 PolarHBondContact O-N 3.16Å
29S82.1Confident83.5Confident48 Ų4870.4 Ų70.434%0.33635%0.354SS..Hα-helixtrans-63.7-40.2175.7-64.80000111.1N26 N32 A33N26-S29 PolarHBondContact ND2-OG 2.93Å; N26-S29 PolarHBondContact O-N 3.49Å; N26-S29 WeakPolarHBondContact OD1-CB 3.45Å; N26-S29 PolarHBondContact OD1-N 3.4Å; N26-S29 PolarHBondContact OD1-OG 3.43Å; S29-N32 PolarHBondContact O-N 3.37Å; S29-A33 PolarHBondContact O-N 3.25Å
30L83.6Confident83.7Confident3 Ų372.6 Ų72.62%0.01636%0.363CS..Hα-helixtrans-63.6-45.5174.8-176.959.3000111.7V17 E19 L20 L25 N26 R28 N32 A33 V34 R70 M74V17-L30 HydrophobicContact CG1-CD1 4.01Å; E19-L30 HydrophobicContact CB-CD1 3.8Å; L20-L30 HydrophobicContact CD2-CD1 3.94Å; L20-L30 HydrophobicContact CD2-CD2 4.38Å; L20-L30 HydrophobicContact CG-CD1 4.36Å; L25-L30 HydrophobicContact CD2-CB 4.07Å; N26-L30 PolarHBondContact O-N 3.33Å; N26-L30 VanDerWaalsContact O-N 3.11Å; R28-L30 VanDerWaalsContact C-N 3.32Å; L30-N32 VanDerWaalsContact C-N 3.29Å; L30-N32 PolarHBondContact O-N 3.37Å; L30-A33 PolarHBondContact O-N 3.02Å; L30-V34 HydrophobicContact CD1-CG2 4.36Å; L30-V34 HydrophobicContact CG-CG2 4.46Å; L30-V34 VanDerWaalsContact O-CG2 3.27Å; L30-V34 WeakPolarHBondContact O-CG2 3.11Å; L30-V34 PolarHBondContact O-N 3.44Å; L30-R70 HydrophobicContact CD2-CB 4.08Å; L30-M74 HydrophobicContact CB-CE 4.21Å; L30-M74 HydrophobicContact CD2-CE 3.94Å; L30-M74 HydrophobicContact CD2-CG 4.45Å; L30-M74 HydrophobicContact CG-CE 4.14Å; L30-M74 HydrophobicContact CG-CG 4.44Å
31L81.7Confident84.1Confident53 Ų5373.8 Ų73.828%0.27737%0.366SS..Hα-helixtrans-61-38176.8-178.261.9000111.9N27 R28 V34 N35 M74N27-L31 VanDerWaalsContact O-CB 3.3Å; N27-L31 WeakPolarHBondContact O-CB 3.5Å; N27-L31 PolarHBondContact O-N 2.94Å; R28-L31 PolarHBondContact O-N 2.79Å; L31-V34 PolarHBondContact O-N 2.93Å; L31-N35 WeakPolarHBondContact O-CB 3.36Å; L31-N35 PolarHBondContact O-N 2.82Å; L31-N35 PolarHBondContact O-ND2 3.32Å; L31-M74 HydrophobicContact CB-CE 4.44Å; L31-M74 HydrophobicContact CB-SD 3.93Å; L31-M74 HydrophobicContact CD1-SD 3.83Å; L31-M74 HydrophobicContact CG-SD 4.42Å
32N84.8Confident84.5Confident82 Ų8271 Ų7144%0.43935%0.354SS..Hα-helixtrans-64-43.7174.9-73.7-14.3000112R28 S29 L30 N35 Q36R28-N32 PolarHBondContact O-N 3.16Å; S29-N32 PolarHBondContact O-N 3.37Å; L30-N32 VanDerWaalsContact C-N 3.29Å; L30-N32 PolarHBondContact O-N 3.37Å; N32-N35 WeakPolarHBondContact O-CB 3.4Å; N32-N35 PolarHBondContact O-N 2.9Å; N32-Q36 WeakPolarHBondContact O-CG 3.49Å; N32-Q36 PolarHBondContact O-N 2.88Å
33A89.4Confident84.9Confident5 Ų571.5 Ų71.54%0.04137%0.368CS..Hα-helixtrans-62.5-45175.800000111.6V17 E19 S29 L30 N35 Q36 I37V17-A33 HydrophobicContact CG1-CB 4.14Å; E19-A33 HydrophobicContact CB-CB 4.13Å; E19-A33 HydrophobicContact CG-CB 3.71Å; E19-A33 WeakPolarHBondContact OE2-CB 3.41Å; S29-A33 PolarHBondContact O-N 3.25Å; L30-A33 PolarHBondContact O-N 3.02Å; A33-N35 VanDerWaalsContact C-N 3.35Å; A33-N35 PolarHBondContact O-N 3.41Å; A33-Q36 PolarHBondContact O-N 2.92Å; A33-I37 WeakPolarHBondContact O-CG1 3.35Å; A33-I37 PolarHBondContact O-N 3.41Å
34V88.3Confident85.9Confident0 Ų068 Ų680%034%0.343CS..Hα-helixtrans-59.8-44.3175.8174.70000110.8M13 V17 L30 L31 Q36 I37 D38 L71 M74 L78M13-V34 HydrophobicContact CE-CB 4.47Å; M13-V34 HydrophobicContact CE-CG1 3.61Å; M13-V34 WeakPolarHBondContact CE-O 3.32Å; V17-V34 HydrophobicContact CG1-CG2 3.96Å; V17-V34 HydrophobicContact CG2-CG2 4.17Å; L30-V34 HydrophobicContact CD1-CG2 4.36Å; L30-V34 HydrophobicContact CG-CG2 4.46Å; L30-V34 VanDerWaalsContact O-CG2 3.27Å; L30-V34 WeakPolarHBondContact O-CG2 3.11Å; L30-V34 PolarHBondContact O-N 3.44Å; L31-V34 PolarHBondContact O-N 2.93Å; V34-Q36 PolarHBondContact O-N 3.21Å; V34-I37 PolarHBondContact O-N 2.85Å; V34-D38 WeakPolarHBondContact O-CB 3.33Å; V34-D38 PolarHBondContact O-N 3.27Å; V34-L71 HydrophobicContact CG2-CD1 4.2Å; V34-M74 HydrophobicContact CB-CB 4.2Å; V34-M74 HydrophobicContact CG1-CB 3.87Å; V34-M74 HydrophobicContact CG2-CB 3.89Å; V34-M74 HydrophobicContact CG2-CG 4.24Å; V34-L78 HydrophobicContact CG1-CD1 3.58Å; V34-L78 HydrophobicContact CG1-CG 4.13Å
35N87.2Confident86.5Confident50 Ų5064.9 Ų64.927%0.26733%0.326SS..Hα-helixtrans-57.7-45.1174-87.2-67.9000112.5L31 N32 A33 I37 D38 Q39 L78L31-N35 WeakPolarHBondContact O-CB 3.36Å; L31-N35 PolarHBondContact O-N 2.82Å; L31-N35 PolarHBondContact O-ND2 3.32Å; N32-N35 WeakPolarHBondContact O-CB 3.4Å; N32-N35 PolarHBondContact O-N 2.9Å; A33-N35 VanDerWaalsContact C-N 3.35Å; A33-N35 PolarHBondContact O-N 3.41Å; N35-I37 PolarHBondContact O-N 3.12Å; N35-D38 PolarHBondContact O-N 3.09Å; N35-Q39 WeakPolarHBondContact O-CG 3.48Å; N35-Q39 PolarHBondContact O-N 3.42Å; N35-L78 HydrophobicContact CB-CD2 4.27Å; N35-L78 WeakPolarHBondContact OD1-CD2 3.47Å
36Q91Very high86.8Confident125 Ų12565.9 Ų65.958%0.58435%0.346SS*.Hα-helixtrans-63.6-42.7-179.4-72.2174.99.400112.2N32 A33 V34 Q39 K40N32-Q36 WeakPolarHBondContact O-CG 3.49Å; N32-Q36 PolarHBondContact O-N 2.88Å; A33-Q36 PolarHBondContact O-N 2.92Å; V34-Q36 PolarHBondContact O-N 3.21Å; Q36-Q39 PolarHBondContact O-N 3.08Å; Q36-K40 PolarHBondContact O-N 2.85Å
37I92.8Very high87.4Confident15 Ų1568.9 Ų68.98%0.07736%0.357CS..Hα-helixtrans-70-36.3177.7-59.6-53000111Y12 M13 N16 V17 A33 V34 N35 Q39 K40 W41Y12-I37 HydrophobicContact CD1-CG2 4.05Å; Y12-I37 HydrophobicContact CE1-CG2 3.37Å; M13-I37 HydrophobicContact CE-CB 4.31Å; M13-I37 HydrophobicContact CE-CG2 4.3Å; M13-I37 HydrophobicContact SD-CB 4.2Å; M13-I37 HydrophobicContact SD-CG2 3.62Å; N16-I37 HydrophobicContact CB-CD1 4.31Å; N16-I37 HydrophobicContact CB-CG2 3.8Å; V17-I37 HydrophobicContact CG2-CB 3.88Å; V17-I37 HydrophobicContact CG2-CG1 3.73Å; V17-I37 HydrophobicContact CG2-CG2 4.13Å; A33-I37 WeakPolarHBondContact O-CG1 3.35Å; A33-I37 PolarHBondContact O-N 3.41Å; V34-I37 PolarHBondContact O-N 2.85Å; N35-I37 PolarHBondContact O-N 3.12Å; I37-Q39 VanDerWaalsContact C-N 3.33Å; I37-Q39 PolarHBondContact O-N 3.46Å; I37-K40 HydrophobicContact CD1-CD 4.1Å; I37-K40 WeakPolarHBondContact O-CB 3.35Å; I37-K40 PolarHBondContact O-N 3.17Å; I37-W41 PolarHBondContact O-N 3.47Å
38D90.5Very high88.3Confident6 Ų669 Ų693%0.03236%0.355CS..Hα-helixtrans-60.7-41.2173.5-178.768000112.4Y9 M13 V34 N35 K40 W41 K42 L78Y9-D38 PolarHBondContact OH-OD1 3.04Å; M13-D38 HydrophobicContact CE-CB 4.21Å; V34-D38 WeakPolarHBondContact O-CB 3.33Å; V34-D38 PolarHBondContact O-N 3.27Å; N35-D38 PolarHBondContact O-N 3.09Å; D38-K40 VanDerWaalsContact C-N 3.34Å; D38-K40 PolarHBondContact O-N 3.26Å; D38-W41 WeakPolarHBondContact O-CB 3.33Å; D38-W41 PolarHBondContact O-N 3.27Å; D38-K42 WeakPolarHBondContact O-CG 3.1Å; D38-K42 PolarHBondContact O-N 3.29Å; D38-K42 WeakPolarHBondContact OD2-CD 3.46Å; D38-K42 WeakPolarHBondContact OD2-CE 3.33Å; D38-K42 IonicContact OD2-NZ 3.96Å; D38-K42 PolarHBondContact OD2-NZ 2.93Å; D38-L78 HydrophobicContact CB-CD1 3.5Å
39Q90.7Very high89.1Confident110 Ų11062.7 Ų62.751%0.51433%0.333SS..Hα-helixtrans-63.4-39.2174.4-67.3-61.7-20.600112.1N35 Q36 I37 K42 A43N35-Q39 WeakPolarHBondContact O-CG 3.48Å; N35-Q39 PolarHBondContact O-N 3.42Å; Q36-Q39 PolarHBondContact O-N 3.08Å; I37-Q39 VanDerWaalsContact C-N 3.33Å; I37-Q39 PolarHBondContact O-N 3.46Å; Q39-K42 PolarHBondContact O-N 3.23Å; Q39-A43 WeakPolarHBondContact O-CB 3.23Å; Q39-A43 PolarHBondContact O-N 3.04Å
40K93.4Very high89.4Confident119 Ų11962.5 Ų62.552%0.51733%0.334SS..Hα-helixtrans-62-45.3173.3-69.3179.2-176.9177.90111.6Y12 Q36 I37 D38 K42 A43 M44Y12-K40 WeakPolarHBondContact OH-CB 3.36Å; Q36-K40 PolarHBondContact O-N 2.85Å; I37-K40 HydrophobicContact CD1-CD 4.1Å; I37-K40 WeakPolarHBondContact O-CB 3.35Å; I37-K40 PolarHBondContact O-N 3.17Å; D38-K40 VanDerWaalsContact C-N 3.34Å; D38-K40 PolarHBondContact O-N 3.26Å; K40-K42 VanDerWaalsContact C-N 3.33Å; K40-K42 PolarHBondContact O-N 3.43Å; K40-A43 PolarHBondContact O-N 3.19Å; K40-M44 WeakPolarHBondContact O-CG 3.46Å; K40-M44 PolarHBondContact O-N 3.17Å; K40-M44 VanDerWaalsContact O-N 3.14Å
41W91.7Very high89.9Confident39 Ų3965.8 Ų65.815%0.14835%0.354CS..Hα-helixtrans-59.5-43.4175.1176.7-97.5000112.4P8 Y9 Y12 I37 D38 A43 M44 K49 W52P8-W41 HydrophobicContact CB-CH2 4.06Å; Y9-W41 HydrophobicContact CD2-CB 4.38Å; Y9-W41 AromaticContact CD2-CD1 3.37Å; Y9-W41 AromaticContact CD2-CD2 3.71Å; Y9-W41 HydrophobicContact CD2-CD2 3.71Å; Y9-W41 AromaticContact CD2-CE2 3.58Å; Y9-W41 AromaticContact CD2-CG 3.58Å; Y9-W41 HydrophobicContact CD2-CG 3.58Å; Y9-W41 HydrophobicContact CD2-CZ2 4.29Å; Y9-W41 AromaticContact CD2-NE1 3.37Å; Y9-W41 HydrophobicContact CE2-CB 4.24Å; Y9-W41 AromaticContact CE2-CD1 3.58Å; Y9-W41 HydrophobicContact CE2-CD2 4.42Å; Y9-W41 AromaticContact CE2-CG 3.83Å; Y9-W41 HydrophobicContact CE2-CG 3.83Å; Y12-W41 HydrophobicContact CD1-CB 3.85Å; Y12-W41 HydrophobicContact CD1-CD2 4.04Å; Y12-W41 AromaticContact CD1-CE3 3.39Å; Y12-W41 HydrophobicContact CD1-CE3 3.39Å; Y12-W41 HydrophobicContact CD1-CG 4.26Å; Y12-W41 HydrophobicContact CD1-CZ3 4.22Å; Y12-W41 HydrophobicContact CD2-CE3 4.15Å; Y12-W41 HydrophobicContact CD2-CZ3 4.43Å; Y12-W41 HydrophobicContact CE1-CB 3.64Å; Y12-W41 HydrophobicContact CE1-CE3 4.04Å; Y12-W41 HydrophobicContact CE1-CG 4.49Å; Y12-W41 HydrophobicContact CG-CD2 4.47Å; Y12-W41 AromaticContact CG-CE3 3.44Å; Y12-W41 HydrophobicContact CG-CE3 3.44Å; Y12-W41 VanDerWaalsContact CG-CE3 3.44Å; Y12-W41 AromaticContact CG-CZ3 3.82Å; Y12-W41 HydrophobicContact CG-CZ3 3.82Å; I37-W41 PolarHBondContact O-N 3.47Å; D38-W41 WeakPolarHBondContact O-CB 3.33Å; D38-W41 PolarHBondContact O-N 3.27Å; W41-A43 VanDerWaalsContact C-N 3.31Å; W41-A43 PolarHBondContact O-N 3.14Å; W41-M44 HydrophobicContact CE3-SD 4.07Å; W41-M44 WeakPolarHBondContact O-CB 2.91Å; W41-M44 PolarHBondContact O-N 3.17Å; W41-K49 HydrophobicContact CH2-CB 4.47Å; W41-K49 HydrophobicContact CH2-CG 4.07Å; W41-K49 HydrophobicContact CZ2-CD 4.31Å; W41-K49 HydrophobicContact CZ2-CG 4.13Å; W41-K49 HydrophobicContact CZ3-CG 4.32Å; W41-K49 WeakPolarHBondContact O-CE 3.4Å; W41-K49 PolarHBondContact O-NZ 3.32Å; W41-W52 HydrophobicContact CH2-CB 4.46Å; W41-W52 HydrophobicContact CZ3-CB 4.1Å; W41-W52 AromaticContact CZ3-CD1 3.98Å; W41-W52 HydrophobicContact CZ3-CG 4.06Å
42K89.3Confident90.3Very high92 Ų9264.8 Ų64.840%0.435%0.347SS..Hα-helixtrans-64-37.5178.3-76.6170.9173.3164.60111.9D38 Q39 K40 M44 S82D38-K42 WeakPolarHBondContact O-CG 3.1Å; D38-K42 PolarHBondContact O-N 3.29Å; D38-K42 WeakPolarHBondContact OD2-CD 3.46Å; D38-K42 WeakPolarHBondContact OD2-CE 3.33Å; D38-K42 IonicContact OD2-NZ 3.96Å; D38-K42 PolarHBondContact OD2-NZ 2.93Å; Q39-K42 PolarHBondContact O-N 3.23Å; K40-K42 VanDerWaalsContact C-N 3.33Å; K40-K42 PolarHBondContact O-N 3.43Å; K42-M44 VanDerWaalsContact C-N 3.31Å; K42-M44 PolarHBondContact O-N 2.79Å; K42-S82 PolarHBondContact NZ-OG 2.95Å
43A91.7Very high90.6Very high84 Ų8466.4 Ų66.469%0.69435%0.349SS*.Hα-helixtrans-72-19.2176.800000114.2Q39 K40 W41Q39-A43 WeakPolarHBondContact O-CB 3.23Å; Q39-A43 PolarHBondContact O-N 3.04Å; K40-A43 PolarHBondContact O-N 3.19Å; W41-A43 VanDerWaalsContact C-N 3.31Å; W41-A43 PolarHBondContact O-N 3.14Å
44M92.5Very high90.6Very high31 Ų3170.4 Ų70.415%0.15337%0.367CS..  trans-66137.9179.5-75.5173.8-174.600112.6Y12 K40 W41 K42 E48 K49Y12-M44 HydrophobicContact CD2-CE 4.37Å; Y12-M44 HydrophobicContact CE1-CE 4.46Å; Y12-M44 HydrophobicContact CE2-CE 3.46Å; Y12-M44 VanDerWaalsContact CE2-CE 3.46Å; Y12-M44 HydrophobicContact CE2-SD 4.34Å; Y12-M44 WeakPolarHBondContact OH-CE 3.41Å; K40-M44 WeakPolarHBondContact O-CG 3.46Å; K40-M44 PolarHBondContact O-N 3.17Å; K40-M44 VanDerWaalsContact O-N 3.14Å; W41-M44 HydrophobicContact CE3-SD 4.07Å; W41-M44 WeakPolarHBondContact O-CB 2.91Å; W41-M44 PolarHBondContact O-N 3.17Å; K42-M44 VanDerWaalsContact C-N 3.31Å; K42-M44 PolarHBondContact O-N 2.79Å; M44-E48 WeakPolarHBondContact CA-OE2 3.15Å; M44-E48 HydrophobicContact CB-CB 3.95Å; M44-E48 HydrophobicContact CG-CB 4.04Å; M44-E48 HydrophobicContact SD-CB 4.46Å; M44-K49 HydrophobicContact CB-CG 4Å; M44-K49 WeakPolarHBondContact O-CE 3.4Å; M44-K49 PolarHBondContact O-NZ 2.63Å
45N91.3Very high90.7Very high80 Ų8075.1 Ų75.143%0.42839%0.388SS..  trans-75.5177.4172.974.129.6000111.7E47 E48 K49N45-E47 PolarHBondContact O-N 3.28Å; N45-E47 WeakPolarHBondContact OD1-CB 3.36Å; N45-E47 PolarHBondContact OD1-N 2.69Å; N45-E48 PolarHBondContact N-OE2 3.47Å; N45-E48 WeakPolarHBondContact OD1-CG 3.38Å; N45-E48 PolarHBondContact OD1-N 2.95Å; N45-K49 WeakPolarHBondContact O-CG 3.34Å; N45-K49 PolarHBondContact O-N 3.32Å; N45-K49 VanDerWaalsContact O-N 3.12Å
46G85.8Confident90.7Very high59 Ų5973.2 Ų73.261%0.60838%0.378SS*.Hα-helixtrans-63.8-37.6-178.700000113.9K49 A50G46-K49 PolarHBondContact O-N 2.84Å; G46-A50 WeakPolarHBondContact O-CB 3.31Å; G46-A50 PolarHBondContact O-N 3.27Å
47E90.7Very high90.5Very high157 Ų15772.3 Ų72.373%0.73437%0.374SS*.Hα-helixtrans-67.9-44.4179.4-62.8178.5174.400111.1N45 K49 A50 V51N45-E47 PolarHBondContact O-N 3.28Å; N45-E47 WeakPolarHBondContact OD1-CB 3.36Å; N45-E47 PolarHBondContact OD1-N 2.69Å; E47-K49 VanDerWaalsContact C-N 3.33Å; E47-K49 PolarHBondContact O-N 3.44Å; E47-A50 WeakPolarHBondContact O-CB 3.31Å; E47-A50 PolarHBondContact O-N 3.27Å; E47-A50 VanDerWaalsContact O-N 3.14Å; E47-V51 PolarHBondContact O-N 2.9Å
48E92.2Very high90.3Very high93 Ų9380.5 Ų80.544%0.43540%0.403SS..Hα-helixtrans-62.2-40.5176.1-69.9174132.500111.6M44 N45 V51M44-E48 WeakPolarHBondContact CA-OE2 3.15Å; M44-E48 HydrophobicContact CB-CB 3.95Å; M44-E48 HydrophobicContact CG-CB 4.04Å; M44-E48 HydrophobicContact SD-CB 4.46Å; N45-E48 PolarHBondContact N-OE2 3.47Å; N45-E48 WeakPolarHBondContact OD1-CG 3.38Å; N45-E48 PolarHBondContact OD1-N 2.95Å; E48-V51 PolarHBondContact O-N 3.44Å
49K90.6Very high90.1Very high66 Ų6682.5 Ų82.529%0.28741%0.414SS..Hα-helixtrans-68.1-33.6174.8-75171.6175.3143.20112.4W41 M44 N45 G46 E47 V51 W52 K53W41-K49 HydrophobicContact CH2-CB 4.47Å; W41-K49 HydrophobicContact CH2-CG 4.07Å; W41-K49 HydrophobicContact CZ2-CD 4.31Å; W41-K49 HydrophobicContact CZ2-CG 4.13Å; W41-K49 HydrophobicContact CZ3-CG 4.32Å; W41-K49 WeakPolarHBondContact O-CE 3.4Å; W41-K49 PolarHBondContact O-NZ 3.32Å; M44-K49 HydrophobicContact CB-CG 4Å; M44-K49 WeakPolarHBondContact O-CE 3.4Å; M44-K49 PolarHBondContact O-NZ 2.63Å; N45-K49 WeakPolarHBondContact O-CG 3.34Å; N45-K49 PolarHBondContact O-N 3.32Å; N45-K49 VanDerWaalsContact O-N 3.12Å; G46-K49 PolarHBondContact O-N 2.84Å; E47-K49 VanDerWaalsContact C-N 3.33Å; E47-K49 PolarHBondContact O-N 3.44Å; K49-V51 VanDerWaalsContact C-N 3.32Å; K49-V51 PolarHBondContact O-N 3.01Å; K49-W52 PolarHBondContact O-N 3.27Å; K49-K53 PolarHBondContact O-N 2.93Å
50A88.7Confident89.5Confident44 Ų4487.1 Ų87.136%0.36444%0.436SS..Hα-helixtrans-62.8-38.6176.300000111.7G46 E47 W52 K53 E54G46-A50 WeakPolarHBondContact O-CB 3.31Å; G46-A50 PolarHBondContact O-N 3.27Å; E47-A50 WeakPolarHBondContact O-CB 3.31Å; E47-A50 PolarHBondContact O-N 3.27Å; E47-A50 VanDerWaalsContact O-N 3.14Å; A50-W52 VanDerWaalsContact C-N 3.26Å; A50-W52 PolarHBondContact O-N 2.89Å; A50-K53 WeakPolarHBondContact O-CB 3.26Å; A50-K53 PolarHBondContact O-N 2.95Å; A50-E54 PolarHBondContact O-N 3.46Å
51V93.2Very high88.7Confident71 Ų7184.6 Ų84.643%0.4343%0.428SS..Hα-helixtrans-57.1-39.2174.61760000111.8E47 E48 K49 E54 K55E47-V51 PolarHBondContact O-N 2.9Å; E48-V51 PolarHBondContact O-N 3.44Å; K49-V51 VanDerWaalsContact C-N 3.32Å; K49-V51 PolarHBondContact O-N 3.01Å; V51-E54 PolarHBondContact O-N 3.15Å; V51-K55 HydrophobicContact CG1-CD 4.35Å; V51-K55 VanDerWaalsContact O-CG 3.32Å; V51-K55 WeakPolarHBondContact O-CG 3.48Å; V51-K55 PolarHBondContact O-N 3.15Å
52W91.5Very high87.9Confident33 Ų3387.4 Ų87.413%0.12544%0.441CS..Hα-helixtrans-71.3-33.9177.3-70.2102.5000113.1F11 Y12 E15 N16 W41 K49 A50 K55 L56F11-W52 HydrophobicContact CD1-CE3 4.02Å; F11-W52 HydrophobicContact CE1-CE3 4.04Å; F11-W52 HydrophobicContact CE1-CZ3 4.32Å; Y12-W52 AromaticContact CD2-CD2 3.62Å; Y12-W52 HydrophobicContact CD2-CD2 3.62Å; Y12-W52 AromaticContact CD2-CE2 3.25Å; Y12-W52 HydrophobicContact CD2-CE3 4.01Å; Y12-W52 HydrophobicContact CD2-CG 4.25Å; Y12-W52 AromaticContact CD2-CH2 3.79Å; Y12-W52 HydrophobicContact CD2-CH2 3.79Å; Y12-W52 AromaticContact CD2-CZ2 3.37Å; Y12-W52 HydrophobicContact CD2-CZ2 3.37Å; Y12-W52 HydrophobicContact CD2-CZ3 4.07Å; Y12-W52 AromaticContact CD2-NE1 3.61Å; Y12-W52 AromaticContact CE2-CE2 3.71Å; Y12-W52 HydrophobicContact CE2-CH2 4.22Å; Y12-W52 AromaticContact CE2-CZ2 3.56Å; Y12-W52 HydrophobicContact CE2-CZ2 3.56Å; Y12-W52 AromaticContact CE2-NE1 3.87Å; Y12-W52 HydrophobicContact CG-CD2 4.37Å; E15-W52 HydrophobicContact CB-CZ3 4.27Å; E15-W52 HydrophobicContact CG-CZ3 4.47Å; N16-W52 WeakPolarHBondContact ND2-CH2 3.32Å; W41-W52 HydrophobicContact CH2-CB 4.46Å; W41-W52 HydrophobicContact CZ3-CB 4.1Å; W41-W52 AromaticContact CZ3-CD1 3.98Å; W41-W52 HydrophobicContact CZ3-CG 4.06Å; K49-W52 PolarHBondContact O-N 3.27Å; A50-W52 VanDerWaalsContact C-N 3.26Å; A50-W52 PolarHBondContact O-N 2.89Å; W52-K55 HydrophobicContact CE3-CD 4.14Å; W52-K55 HydrophobicContact CZ3-CD 4.24Å; W52-L56 WeakPolarHBondContact O-CB 3.18Å; W52-L56 PolarHBondContact O-N 2.92Å
53K89Confident86.8Confident115 Ų11588.2 Ų88.250%0.545%0.449SS..Hα-helixtrans-64.2-46.3172.3-173.5-176.4173.6-1700110.8P8 K49 A50 L56 E57P8-K53 HydrophobicContact CG-CB 4.12Å; P8-K53 HydrophobicContact CG-CG 4.22Å; K49-K53 PolarHBondContact O-N 2.93Å; A50-K53 WeakPolarHBondContact O-CB 3.26Å; A50-K53 PolarHBondContact O-N 2.95Å; K53-L56 WeakPolarHBondContact O-CB 3.41Å; K53-L56 PolarHBondContact O-N 3.38Å; K53-E57 WeakPolarHBondContact CE-OE1 3.41Å; K53-E57 WeakPolarHBondContact O-CG 3.47Å; K53-E57 PolarHBondContact O-N 2.85Å
54E89.7Confident85.8Confident90 Ų9089.3 Ų89.342%0.42145%0.448SS..Hα-helixtrans-62.1-45176.1-72.8-174.4-159.700112.3A50 V51 L56 E57 R58A50-E54 PolarHBondContact O-N 3.46Å; V51-E54 PolarHBondContact O-N 3.15Å; E54-L56 VanDerWaalsContact C-N 3.29Å; E54-L56 PolarHBondContact O-N 2.95Å; E54-E57 PolarHBondContact O-N 3.1Å; E54-E57 VanDerWaalsContact O-N 3.12Å; E54-R58 WeakPolarHBondContact O-CG 3.31Å; E54-R58 PolarHBondContact O-N 3.31Å; E54-R58 IonicContact OE2-CZ 3.83Å; E54-R58 IonicContact OE2-NH2 3.53Å; E54-R58 PolarHBondContact OE2-NH2 3.03Å
55K91.6Very high85.2Confident98 Ų9890 Ų9043%0.42645%0.449SS..Hα-helixtrans-58.8-42.6176.6-75.8176.9178.8-179.10111.9F11 V51 W52 E57 R58F11-K55 HydrophobicContact CE1-CB 3.76Å; F11-K55 HydrophobicContact CZ-CB 4.45Å; V51-K55 HydrophobicContact CG1-CD 4.35Å; V51-K55 VanDerWaalsContact O-CG 3.32Å; V51-K55 WeakPolarHBondContact O-CG 3.48Å; V51-K55 PolarHBondContact O-N 3.15Å; W52-K55 HydrophobicContact CE3-CD 4.14Å; W52-K55 HydrophobicContact CZ3-CD 4.24Å; K55-E57 VanDerWaalsContact C-N 3.35Å; K55-R58 PolarHBondContact O-N 3.39Å
56L87.6Confident84.7Confident10 Ų1095.1 Ų95.15%0.05246%0.462CS..Hα-helixtrans-63-41.5174.7173.263.2000111.4L6 P8 F11 W52 K53 E54 R58 L59 K62L6-L56 HydrophobicContact CB-CD1 4.32Å; L6-L56 HydrophobicContact CD2-CD1 3.38Å; L6-L56 HydrophobicContact CG-CD1 3.6Å; L6-L56 WeakPolarHBondContact O-CD2 3.47Å; P8-L56 HydrophobicContact CB-CD2 4.5Å; P8-L56 HydrophobicContact CG-CD2 3.89Å; F11-L56 HydrophobicContact CB-CD1 4.29Å; F11-L56 HydrophobicContact CD1-CB 3.97Å; F11-L56 HydrophobicContact CD2-CD1 4.4Å; F11-L56 HydrophobicContact CE1-CB 4.38Å; F11-L56 HydrophobicContact CG-CB 4.35Å; F11-L56 HydrophobicContact CG-CD1 4.2Å; W52-L56 WeakPolarHBondContact O-CB 3.18Å; W52-L56 PolarHBondContact O-N 2.92Å; K53-L56 WeakPolarHBondContact O-CB 3.41Å; K53-L56 PolarHBondContact O-N 3.38Å; E54-L56 VanDerWaalsContact C-N 3.29Å; E54-L56 PolarHBondContact O-N 2.95Å; L56-R58 VanDerWaalsContact C-N 3.3Å; L56-R58 PolarHBondContact O-N 3.12Å; L56-L59 HydrophobicContact CD1-CD1 3.94Å; L56-L59 WeakPolarHBondContact O-CB 3.03Å; L56-L59 PolarHBondContact O-N 2.78Å; L56-K62 WeakPolarHBondContact O-CE 2.81Å
57E86.3Confident84.4Confident107 Ų10794 Ų9450%0.544%0.444SS..Hα-helixtrans-66.9-28.4178.4-75.4171.6179.500113.5K53 E54 K55 L59K53-E57 WeakPolarHBondContact CE-OE1 3.41Å; K53-E57 WeakPolarHBondContact O-CG 3.47Å; K53-E57 PolarHBondContact O-N 2.85Å; E54-E57 PolarHBondContact O-N 3.1Å; E54-E57 VanDerWaalsContact O-N 3.12Å; K55-E57 VanDerWaalsContact C-N 3.35Å; E57-L59 VanDerWaalsContact C-N 3.31Å; E57-L59 PolarHBondContact O-N 3.03Å
58R89.2Confident84Confident186 Ų18689.3 Ų89.370%0.70242%0.42SS*.THydrogen-bonded Turntrans-79.3-4.9175.4-67.1177.1-159.6-170.87.9114.4E54 K55 L56 E60E54-R58 WeakPolarHBondContact O-CG 3.31Å; E54-R58 PolarHBondContact O-N 3.31Å; E54-R58 IonicContact OE2-CZ 3.83Å; E54-R58 IonicContact OE2-NH2 3.53Å; E54-R58 PolarHBondContact OE2-NH2 3.03Å; K55-R58 PolarHBondContact O-N 3.39Å; L56-R58 VanDerWaalsContact C-N 3.3Å; L56-R58 PolarHBondContact O-N 3.12Å; R58-E60 PolarHBondContact O-N 3.45Å
59L85Confident82.9Confident49 Ų4989.3 Ų89.326%0.25743%0.428SS..  trans-66.7116.7172.7-70.5179.4000109.6L6 F11 L56 E57 D61 K62 Y65L6-L59 HydrophobicContact CD2-CD1 3.97Å; F11-L59 HydrophobicContact CD2-CD1 4.21Å; F11-L59 HydrophobicContact CE2-CD1 3.78Å; F11-L59 HydrophobicContact CE2-CD2 4.47Å; F11-L59 HydrophobicContact CE2-CG 4.44Å; F11-L59 HydrophobicContact CZ-CD1 4.34Å; L56-L59 HydrophobicContact CD1-CD1 3.94Å; L56-L59 WeakPolarHBondContact O-CB 3.03Å; L56-L59 PolarHBondContact O-N 2.78Å; E57-L59 VanDerWaalsContact C-N 3.31Å; E57-L59 PolarHBondContact O-N 3.03Å; L59-D61 PolarHBondContact O-N 3.08Å; L59-K62 HydrophobicContact CB-CG 4.14Å; L59-Y65 HydrophobicContact CD1-CD2 3.77Å; L59-Y65 HydrophobicContact CD1-CE2 4.41Å; L59-Y65 HydrophobicContact CD1-CG 4.01Å; L59-Y65 HydrophobicContact CD2-CD2 4.33Å
60E77.6Confident82.3Confident207 Ų20791.5 Ų91.597%0.96743%0.434SS*.SBendtrans-55.5-37.9-180-66.8-178.217000112R58R58-E60 PolarHBondContact O-N 3.45Å
61D77.2Confident81.9Confident66 Ų6689.4 Ų89.435%0.35342%0.417SS..  trans-138.999.3173.5-177.214.8000112.4L59 N63 T64L59-D61 PolarHBondContact O-N 3.08Å; D61-N63 PolarHBondContact O-N 3.46Å; D61-N63 WeakPolarHBondContact OD1-CA 3.45Å; D61-N63 VanDerWaalsContact OD1-CB 3.26Å; D61-N63 WeakPolarHBondContact OD1-CB 2.87Å; D61-N63 PolarHBondContact OD1-N 3.49Å; D61-N63 PolarHBondContact OD1-ND2 3.29Å; D61-T64 WeakPolarHBondContact CB-OG1 3.36Å; D61-T64 VanDerWaalsContact CG-OG1 3.23Å; D61-T64 PolarHBondContact O-N 2.88Å; D61-T64 PolarHBondContact O-OG1 2.91Å; D61-T64 WeakPolarHBondContact OD2-CB 3.37Å; D61-T64 WeakPolarHBondContact OD2-CG2 3.45Å; D61-T64 PolarHBondContact OD2-OG1 2.94Å
62K75.2Confident81.1Confident98 Ų9888.2 Ų88.243%0.42641%0.408SS..THydrogen-bonded Turntrans-63-20.6175-63.4176.1-177.2174.20112.9L56 L59L56-K62 WeakPolarHBondContact O-CE 2.81Å; L59-K62 HydrophobicContact CB-CG 4.14Å
63N66.1Low80.1Confident108 Ų10890.2 Ų90.258%0.57842%0.418SS*.THydrogen-bonded Turntrans-80.3-26-177.4-55.4-79.2000112.8K3 D61K3-N63 PolarHBondContact NZ-OD1 3.49Å; D61-N63 PolarHBondContact O-N 3.46Å; D61-N63 WeakPolarHBondContact OD1-CA 3.45Å; D61-N63 VanDerWaalsContact OD1-CB 3.26Å; D61-N63 WeakPolarHBondContact OD1-CB 2.87Å; D61-N63 PolarHBondContact OD1-N 3.49Å; D61-N63 PolarHBondContact OD1-ND2 3.29Å
64T70.6Confident79.6Confident107 Ų10785.1 Ų85.166%0.65640%0.397SS*.THydrogen-bonded Turntrans-92.6-8.8177.845.30000113.2D61 R66D61-T64 WeakPolarHBondContact CB-OG1 3.36Å; D61-T64 VanDerWaalsContact CG-OG1 3.23Å; D61-T64 PolarHBondContact O-N 2.88Å; D61-T64 PolarHBondContact O-OG1 2.91Å; D61-T64 WeakPolarHBondContact OD2-CB 3.37Å; D61-T64 WeakPolarHBondContact OD2-CG2 3.45Å; D61-T64 PolarHBondContact OD2-OG1 2.94Å; T64-R66 PolarHBondContact O-N 3.17Å; T64-R66 VanDerWaalsContact O-N 3.13Å
65Y80.3Confident78.9Confident45 Ų4581.5 Ų81.518%0.17638%0.38CS..  trans-61.6117.1177.6-176.5-92.1000111.6L6 F11 N14 E15 L59 V67L6-Y65 HydrophobicContact CD1-CD1 3.83Å; L6-Y65 HydrophobicContact CD1-CE1 3.89Å; L6-Y65 HydrophobicContact CD2-CD1 3.34Å; L6-Y65 HydrophobicContact CD2-CE1 3.98Å; L6-Y65 HydrophobicContact CD2-CG 3.71Å; L6-Y65 HydrophobicContact CG-CD1 4.24Å; F11-Y65 HydrophobicContact CD2-CD1 4.47Å; F11-Y65 AromaticContact CD2-CE1 3.79Å; F11-Y65 HydrophobicContact CD2-CE1 3.79Å; F11-Y65 AromaticContact CD2-CE2 3.9Å; F11-Y65 HydrophobicContact CD2-CE2 3.9Å; F11-Y65 AromaticContact CD2-CZ 3.46Å; F11-Y65 VanDerWaalsContact CD2-CZ 3.46Å; F11-Y65 WeakPolarHBondContact CD2-OH 3.43Å; F11-Y65 HydrophobicContact CE2-CD2 4.17Å; F11-Y65 HydrophobicContact CE2-CE1 4.25Å; F11-Y65 AromaticContact CE2-CE2 3.47Å; F11-Y65 HydrophobicContact CE2-CE2 3.47Å; F11-Y65 VanDerWaalsContact CE2-CE2 3.47Å; F11-Y65 AromaticContact CE2-CZ 3.5Å; N14-Y65 HydrophobicContact CB-CE1 4.39Å; N14-Y65 VanDerWaalsContact ND2-CE1 3.33Å; N14-Y65 WeakPolarHBondContact ND2-CE1 3.38Å; N14-Y65 PolarHBondContact ND2-OH 3.22Å; E15-Y65 WeakPolarHBondContact CG-OH 3.47Å; E15-Y65 PolarHBondContact OE1-OH 3.46Å; L59-Y65 HydrophobicContact CD1-CD2 3.77Å; L59-Y65 HydrophobicContact CD1-CE2 4.41Å; L59-Y65 HydrophobicContact CD1-CG 4.01Å; L59-Y65 HydrophobicContact CD2-CD2 4.33Å; Y65-V67 HydrophobicContact CD1-CG2 3.98Å; Y65-V67 HydrophobicContact CE1-CG2 4.1Å; Y65-V67 PolarHBondContact O-N 3.26Å
66R80.5Confident77.7Confident188 Ų18878.5 Ų78.571%0.70938%0.376SS*.  trans-77.3111.6-175.9-174179-179.5179.71.3111N14 T64N14-R66 PolarHBondContact ND2-O 3.27Å; T64-R66 PolarHBondContact O-N 3.17Å; T64-R66 VanDerWaalsContact O-N 3.13Å
67V79.5Confident76.7Confident37 Ų3780.9 Ų80.922%0.22439%0.389CS..  trans-93.5129.8168-176.80000109.7L6 V10 N14 Y65 P69 L72L6-V67 HydrophobicContact CD1-CG2 3.73Å; V10-V67 HydrophobicContact CG1-CG1 4Å; V10-V67 HydrophobicContact CG1-CG2 4.35Å; N14-V67 WeakPolarHBondContact OD1-CA 3.14Å; Y65-V67 HydrophobicContact CD1-CG2 3.98Å; Y65-V67 HydrophobicContact CE1-CG2 4.1Å; Y65-V67 PolarHBondContact O-N 3.26Å; V67-P69 WeakPolarHBondContact O-CD 3.22Å; V67-L72 HydrophobicContact CG1-CD1 4.23Å; V67-L72 HydrophobicContact CG1-CD2 4.27Å; V67-L72 HydrophobicContact CG1-CG 4.06Å
68Y81.5Confident75.8Confident57 Ų5776 Ų7622%0.22437%0.366CS..  trans-65.6120.6175.6-73.5-84.2000110.3N14 L20 R70 L71N14-Y68 WeakPolarHBondContact OD1-CD2 3.35Å; N14-Y68 PolarHBondContact OD1-N 3.2Å; L20-Y68 HydrophobicContact CB-CD1 4.17Å; L20-Y68 HydrophobicContact CB-CD2 3.69Å; L20-Y68 HydrophobicContact CB-CE2 4.13Å; L20-Y68 HydrophobicContact CB-CG 3.73Å; L20-Y68 HydrophobicContact CD1-CD2 3.93Å; L20-Y68 HydrophobicContact CD1-CG 4.27Å; L20-Y68 HydrophobicContact CD2-CG 4.46Å; L20-Y68 HydrophobicContact CG-CD2 4.36Å; L20-Y68 HydrophobicContact CG-CG 4.37Å; L20-Y68 WeakPolarHBondContact O-CD1 3.5Å; L20-Y68 WeakPolarHBondContact O-CE1 3.28Å; Y68-R70 VanDerWaalsContact C-N 3.26Å; Y68-R70 PolarHBondContact O-N 3.03Å; Y68-L71 VanDerWaalsContact O-CB 3.28Å; Y68-L71 WeakPolarHBondContact O-CB 3.44Å; Y68-L71 PolarHBondContact O-N 3.48Å
69P70.5Confident74.4Confident93 Ų9374.6 Ų74.660%0.60437%0.366SS*.Hα-helixtrans-56.3-38-175.2-28.635.8000114V67 L71 L72V67-P69 WeakPolarHBondContact O-CD 3.22Å; P69-L71 PolarHBondContact O-N 3.3Å; P69-L72 PolarHBondContact O-N 3.03Å
70R76.5Confident72.8Confident113 Ų11377.8 Ų77.843%0.42638%0.383SS..Hα-helixtrans-59.8-30.2176.5-80-176.9149.8-168.9-6.1113.5L25 N27 L30 Y68 H73 M74L25-R70 PolarHBondContact O-NH1 3.33Å; N27-R70 PolarHBondContact OD1-NH2 3.49Å; L30-R70 HydrophobicContact CD2-CB 4.08Å; Y68-R70 VanDerWaalsContact C-N 3.26Å; Y68-R70 PolarHBondContact O-N 3.03Å; R70-H73 PolarHBondContact O-N 2.85Å; R70-M74 WeakPolarHBondContact O-CG 3.18Å; R70-M74 PolarHBondContact O-N 3.02Å
71L80.4Confident71.4Confident0 Ų073.5 Ų73.50%037%0.37CS..Hα-helixtrans-64.2-45-179.217561.3000111.6M13 N14 L20 V34 Y68 P69 H73 M74 I75M13-L71 HydrophobicContact CB-CD1 3.93Å; M13-L71 HydrophobicContact CB-CD2 3.86Å; M13-L71 HydrophobicContact CB-CG 4.39Å; M13-L71 HydrophobicContact CE-CD1 4.43Å; N14-L71 HydrophobicContact CB-CD2 3.7Å; L20-L71 HydrophobicContact CD1-CB 3.95Å; L20-L71 HydrophobicContact CD1-CD1 4.19Å; L20-L71 HydrophobicContact CD1-CD2 4.01Å; L20-L71 HydrophobicContact CD1-CG 4.26Å; L20-L71 HydrophobicContact CD2-CB 3.85Å; V34-L71 HydrophobicContact CG2-CD1 4.2Å; Y68-L71 VanDerWaalsContact O-CB 3.28Å; Y68-L71 WeakPolarHBondContact O-CB 3.44Å; Y68-L71 PolarHBondContact O-N 3.48Å; P69-L71 PolarHBondContact O-N 3.3Å; L71-H73 VanDerWaalsContact C-N 3.25Å; L71-H73 PolarHBondContact O-N 3.19Å; L71-M74 PolarHBondContact O-N 3.39Å; L71-M74 VanDerWaalsContact O-N 3.11Å; L71-I75 HydrophobicContact CD1-CD1 3.87Å; L71-I75 HydrophobicContact CD1-CG1 4Å; L71-I75 HydrophobicContact CD2-CD1 4.26Å; L71-I75 HydrophobicContact CG-CD1 3.74Å; L71-I75 HydrophobicContact CG-CG1 4.29Å; L71-I75 WeakPolarHBondContact O-CG1 3.48Å; L71-I75 PolarHBondContact O-N 2.9Å
72L76.3Confident69.6Low45 Ų4573.7 Ų73.724%0.23638%0.377CS..Hα-helixtrans-63.3-37.1-176.4-65.4172.6000111.5K4 V10 V67 P69 G76K4-L72 HydrophobicContact CD-CD1 3.4Å; V10-L72 HydrophobicContact CG1-CD2 3.97Å; V10-L72 HydrophobicContact CG2-CD2 4.29Å; V67-L72 HydrophobicContact CG1-CD1 4.23Å; V67-L72 HydrophobicContact CG1-CD2 4.27Å; V67-L72 HydrophobicContact CG1-CG 4.06Å; P69-L72 PolarHBondContact O-N 3.03Å; L72-G76 PolarHBondContact O-N 3.38Å; L72-G76 VanDerWaalsContact O-N 3.11Å
73H70.6Confident67.4Low75 Ų7571.5 Ų71.535%0.34738%0.382SS..Hα-helixtrans-61.6-48.5172.3-175.8-81.6000111.6R70 L71 I75 G76 N77R70-H73 PolarHBondContact O-N 2.85Å; L71-H73 VanDerWaalsContact C-N 3.25Å; L71-H73 PolarHBondContact O-N 3.19Å; H73-I75 PolarHBondContact O-N 3.44Å; H73-G76 PolarHBondContact O-N 2.92Å; H73-N77 PolarHBondContact CE1-ND2 3.09Å; H73-N77 PolarHBondContact O-N 3.48Å
74M78.9Confident65.5Low9 Ų970.4 Ų70.44%0.04440%0.397CS..Hα-helixtrans-65.4-38.3-179.9-63.5-62.6-175.600112.7N27 L30 L31 V34 R70 L71 G76 N77 L78N27-M74 HydrophobicContact CB-CE 4.03Å; N27-M74 WeakPolarHBondContact O-CE 3.42Å; L30-M74 HydrophobicContact CB-CE 4.21Å; L30-M74 HydrophobicContact CD2-CE 3.94Å; L30-M74 HydrophobicContact CD2-CG 4.45Å; L30-M74 HydrophobicContact CG-CE 4.14Å; L30-M74 HydrophobicContact CG-CG 4.44Å; L31-M74 HydrophobicContact CB-CE 4.44Å; L31-M74 HydrophobicContact CB-SD 3.93Å; L31-M74 HydrophobicContact CD1-SD 3.83Å; L31-M74 HydrophobicContact CG-SD 4.42Å; V34-M74 HydrophobicContact CB-CB 4.2Å; V34-M74 HydrophobicContact CG1-CB 3.87Å; V34-M74 HydrophobicContact CG2-CB 3.89Å; V34-M74 HydrophobicContact CG2-CG 4.24Å; R70-M74 WeakPolarHBondContact O-CG 3.18Å; R70-M74 PolarHBondContact O-N 3.02Å; L71-M74 PolarHBondContact O-N 3.39Å; L71-M74 VanDerWaalsContact O-N 3.11Å; M74-G76 VanDerWaalsContact C-N 3.31Å; M74-G76 PolarHBondContact O-N 3.47Å; M74-N77 WeakPolarHBondContact O-CB 3.14Å; M74-N77 PolarHBondContact O-N 3.35Å; M74-L78 PolarHBondContact O-N 3.4Å
75I75.6Confident63.4Low14 Ų1471.9 Ų71.97%0.07240%0.4CS..Hα-helixtrans-61.4-40173.7-72.7171.8000111.2Y9 V10 M13 L71 H73 N77 L78 K79Y9-I75 HydrophobicContact CD1-CD1 4.41Å; Y9-I75 HydrophobicContact CE1-CD1 3.85Å; Y9-I75 HydrophobicContact CE1-CG1 4.06Å; Y9-I75 HydrophobicContact CE1-CG2 3.72Å; V10-I75 HydrophobicContact CG2-CD1 4.33Å; M13-I75 HydrophobicContact CB-CD1 4.12Å; M13-I75 HydrophobicContact CE-CG1 4.45Å; M13-I75 HydrophobicContact CG-CD1 4.1Å; L71-I75 HydrophobicContact CD1-CD1 3.87Å; L71-I75 HydrophobicContact CD1-CG1 4Å; L71-I75 HydrophobicContact CD2-CD1 4.26Å; L71-I75 HydrophobicContact CG-CD1 3.74Å; L71-I75 HydrophobicContact CG-CG1 4.29Å; L71-I75 WeakPolarHBondContact O-CG1 3.48Å; L71-I75 PolarHBondContact O-N 2.9Å; H73-I75 PolarHBondContact O-N 3.44Å; I75-N77 VanDerWaalsContact C-N 3.29Å; I75-N77 PolarHBondContact O-N 3Å; I75-L78 PolarHBondContact O-N 3.14Å; I75-K79 PolarHBondContact O-N 3.42Å
76G66.6Low60.8Low34 Ų3478.4 Ų78.435%0.35143%0.432SS..Hα-helixtrans-56.2-45.9173.300000111.6L72 H73 M74 L78 K79L72-G76 PolarHBondContact O-N 3.38Å; L72-G76 VanDerWaalsContact O-N 3.11Å; H73-G76 PolarHBondContact O-N 2.92Å; M74-G76 VanDerWaalsContact C-N 3.31Å; M74-G76 PolarHBondContact O-N 3.47Å; G76-L78 PolarHBondContact O-N 3.27Å; G76-K79 PolarHBondContact O-N 2.87Å
77N67.6Low58.4Low60 Ų6076.2 Ų76.232%0.32143%0.43SS..Hα-helixtrans-65.7-36178.5-67.7-16.3000113.4H73 M74 I75 K79 N80 V81H73-N77 PolarHBondContact CE1-ND2 3.09Å; H73-N77 PolarHBondContact O-N 3.48Å; M74-N77 WeakPolarHBondContact O-CB 3.14Å; M74-N77 PolarHBondContact O-N 3.35Å; I75-N77 VanDerWaalsContact C-N 3.29Å; I75-N77 PolarHBondContact O-N 3Å; N77-K79 VanDerWaalsContact C-N 3.3Å; N77-K79 PolarHBondContact O-N 3.27Å; N77-N80 PolarHBondContact O-N 3.37Å; N77-N80 VanDerWaalsContact O-N 3.14Å; N77-V81 WeakPolarHBondContact O-CG2 3.27Å; N77-V81 PolarHBondContact O-N 2.9Å
78L66.6Low55.8Low4 Ų479.8 Ų79.82%0.02145%0.452CS..Hα-helixtrans-60.6-37.9177.4-71.5-178.3000113.4M13 V34 N35 D38 M74 I75 G76 N80 V81 S82M13-L78 HydrophobicContact CE-CD1 4.42Å; V34-L78 HydrophobicContact CG1-CD1 3.58Å; V34-L78 HydrophobicContact CG1-CG 4.13Å; N35-L78 HydrophobicContact CB-CD2 4.27Å; N35-L78 WeakPolarHBondContact OD1-CD2 3.47Å; D38-L78 HydrophobicContact CB-CD1 3.5Å; M74-L78 PolarHBondContact O-N 3.4Å; I75-L78 PolarHBondContact O-N 3.14Å; G76-L78 PolarHBondContact O-N 3.27Å; L78-N80 PolarHBondContact O-N 3.29Å; L78-V81 PolarHBondContact O-N 3.47Å; L78-S82 PolarHBondContact O-N 3.22Å; L78-S82 PolarHBondContact O-OG 3.31Å
79K58.7Low53.3Low158 Ų15880.2 Ų80.269%0.68746%0.463SS*.Hα-helixtrans-64-28.5178.4-70.4-175.6177-176.50112I75 G76 N77I75-K79 PolarHBondContact O-N 3.42Å; G76-K79 PolarHBondContact O-N 2.87Å; N77-K79 VanDerWaalsContact C-N 3.3Å; N77-K79 PolarHBondContact O-N 3.27Å
80N51.4Low51.5Low115 Ų11584.5 Ų84.562%0.61547%0.472SS*.Hα-helixtrans-80.8-21.4178.3-61.4-16.7000112.8N77 L78N77-N80 PolarHBondContact O-N 3.37Å; N77-N80 VanDerWaalsContact O-N 3.14Å; L78-N80 PolarHBondContact O-N 3.29Å
81V49.1Very low49.4Very low117 Ų11785.4 Ų85.471%0.70948%0.477SS*.Hα-helixtrans-96.6-22.6-174179.30000113.4N77 L78N77-V81 WeakPolarHBondContact O-CG2 3.27Å; N77-V81 PolarHBondContact O-N 2.9Å; L78-V81 PolarHBondContact O-N 3.47Å
82S39.1Very low47Very low70 Ų7094.8 Ų94.849%0.4951%0.512SS..SBendtrans-112.216.7-165.754.20000117.1K42 L78K42-S82 PolarHBondContact NZ-OG 2.95Å; L78-S82 PolarHBondContact O-N 3.22Å; L78-S82 PolarHBondContact O-OG 3.31Å
83G30Very low44.9Very low52 Ų5298.4 Ų98.454%0.53653%0.529SS..  trans-164.2114.217600000112.8L85G83-L85 VanDerWaalsContact C-N 3.28Å; G83-L85 PolarHBondContact O-N 3.49Å
84G25.4Very low43.3Very low86 Ų86100.1 Ų100.189%0.88755%0.545SS*.  trans-57.894.3161.300000109.6
85L26.2Very low41.4Very low138 Ų138108.7 Ų108.772%0.72358%0.582SS**  trans-70.5116.4133.2-80.8153.4000104.1G83 Q87G83-L85 VanDerWaalsContact C-N 3.28Å; G83-L85 PolarHBondContact O-N 3.49Å; L85-Q87 HydrophobicContact CB-CG 3.95Å; L85-Q87 PolarHBondContact O-N 3.19Å
86E25.4Very low40Very low181 Ų181110 Ų11085%0.84659%0.589SS**  trans-51.386.8138.5-76.3-174.8153.500105.5T88E86-T88 PolarHBondContact O-N 2.98Å
87Q30.5Very low39Very low143 Ų143112.4 Ų112.467%0.66859%0.593SS**  trans-68.484165.4-86.3-174.7-8.300104L85 S89L85-Q87 HydrophobicContact CB-CG 3.95Å; L85-Q87 PolarHBondContact O-N 3.19Å; Q87-S89 PolarHBondContact O-N 3.43Å
88T26Very low38Very low112 Ų112112.2 Ų112.269%0.68759%0.592SS**  trans-50.5104.4145.855.20000103.8E86 K90E86-T88 PolarHBondContact O-N 2.98Å; T88-K90 PolarHBondContact O-N 3.3Å
89S28.1Very low37.3Very low66 Ų66113 Ų11346%0.46260%0.597SS.*  trans-6385.1-178.865.90000107.2Q87 Y91 R92Q87-S89 PolarHBondContact O-N 3.43Å; S89-Y91 PolarHBondContact O-N 3.42Å; S89-Y91 VanDerWaalsContact O-N 3.15Å; S89-R92 PolarHBondContact O-N 3.18Å
90K32.9Very low36.9Very low182 Ų182114.9 Ų114.979%0.79161%0.606SS**THydrogen-bonded Turntrans-60.7-17166.8-92.7-171.7172.8-177.60110.5T88T88-K90 PolarHBondContact O-N 3.3Å
91Y32.2Very low36.8Very low133 Ų133113.1 Ų113.152%0.52260%0.599SS.*THydrogen-bonded Turntrans-125.566.5169.9-50.8-75.6000109.4S89 M93S89-Y91 PolarHBondContact O-N 3.42Å; S89-Y91 VanDerWaalsContact O-N 3.15Å; Y91-M93 PolarHBondContact O-N 3.44Å
92R29.1Very low36.9Very low197 Ų197116.9 Ų116.974%0.74360%0.602SS**  trans-53.7136.5158.4-150.5179.5-153.3-171.96.1106S89 V94S89-R92 PolarHBondContact O-N 3.18Å; R92-V94 VanDerWaalsContact C-N 3.34Å; R92-V94 PolarHBondContact O-N 3.37Å
93M32.5Very low38Very low120 Ų120117.2 Ų117.259%0.59161%0.609SS**  trans-49.6108.2164.9-79.3-160-47.900107Y91 K95Y91-M93 PolarHBondContact O-N 3.44Å; M93-K95 PolarHBondContact O-N 3.01Å
94V37.9Very low39.7Very low112 Ų112117.1 Ų117.168%0.67960%0.596SS**  trans-67.7110.4167.7-176.20000102.5R92 L96R92-V94 VanDerWaalsContact C-N 3.34Å; R92-V94 PolarHBondContact O-N 3.37Å; V94-L96 PolarHBondContact O-N 3.18Å; V94-L96 VanDerWaalsContact O-N 3.16Å
95K39.6Very low41.5Very low188 Ų188113.9 Ų113.982%0.81756%0.558SS**  trans-42.9130.4169.1-92.5-177174.7179.20106.1M93 D97M93-K95 PolarHBondContact O-N 3.01Å; K95-D97 PolarHBondContact O-N 3.33Å
96L44.5Very low43.6Very low41 Ų41111.4 Ų111.422%0.21555%0.551CS.*  trans-40.1116173-66.4162000108.1V94 I98 E213 V234V94-L96 PolarHBondContact O-N 3.18Å; V94-L96 VanDerWaalsContact O-N 3.16Å; L96-I98 HydrophobicContact CB-CD1 4.08Å; L96-I98 HydrophobicContact CB-CG1 3.66Å; L96-I98 PolarHBondContact O-N 3.5Å; L96-E213 HydrophobicContact CD1-CG 4.21Å; L96-V234 HydrophobicContact CD2-CB 3.65Å; L96-V234 HydrophobicContact CD2-CG2 3.45Å; L96-V234 VanDerWaalsContact CD2-CG2 3.45Å
97D46.7Very low45.9Very low85 Ų85108 Ų10846%0.45554%0.537SS..  trans-69.977.8167-94.4-5.8000105.3K95 I108 R111K95-D97 PolarHBondContact O-N 3.33Å; D97-I108 HydrophobicContact CB-CG1 4.46Å; D97-I108 VanDerWaalsContact O-CD1 3.26Å; D97-I108 WeakPolarHBondContact O-CD1 3.46Å; D97-R111 IonicContact OD2-NH1 2.94Å; D97-R111 PolarHBondContact OD2-NH1 2.91Å
98I46.7Very low47.8Very low56 Ų56101.9 Ų101.929%0.28751%0.509SS..  trans-70.5124.1179.9-64.5151.9000106.2L96 K100 Y209 E213L96-I98 HydrophobicContact CB-CD1 4.08Å; L96-I98 HydrophobicContact CB-CG1 3.66Å; L96-I98 PolarHBondContact O-N 3.5Å; I98-K100 PolarHBondContact O-N 3.38Å; I98-Y209 HydrophobicContact CG2-CE1 4.43Å; I98-E213 HydrophobicContact CD1-CG 4.42Å; I98-E213 WeakPolarHBondContact CD1-OE1 3.12Å; I98-E213 HydrophobicContact CG1-CG 4.44Å
99P51.2Low50.1Low21 Ų21100.8 Ų100.814%0.13649%0.492CS..  trans-57.2115.8171.416.4-20.2000107.4T101 D104 I105 I108 Y209P99-T101 WeakPolarHBondContact CB-O 3.19Å; P99-T101 PolarHBondContact O-N 3.05Å; P99-D104 HydrophobicContact CB-CB 3.78Å; P99-I105 HydrophobicContact CB-CG1 3.83Å; P99-I105 HydrophobicContact CG-CG1 4.02Å; P99-I108 VanDerWaalsContact CA-CD1 3.47Å; P99-I108 HydrophobicContact CB-CD1 3.56Å; P99-I108 HydrophobicContact CG-CD1 3.93Å; P99-Y209 HydrophobicContact CG-CE1 4.37Å
100K51.5Low52.5Low198 Ų198102.7 Ų102.786%0.86149%0.494SS*.SBendtrans-71.5-24.4174.8-68-178.8-179.2176.60109.9I98 D104I98-K100 PolarHBondContact O-N 3.38Å; K100-D104 PolarHBondContact N-OD2 3.04Å
101T48.8Very low54.6Low77 Ų77101 Ų10147%0.47248%0.483SS..SBendtrans-141.7158.9-179.966.20000110.4P99 A103 D104P99-T101 WeakPolarHBondContact CB-O 3.19Å; P99-T101 PolarHBondContact O-N 3.05Å; T101-A103 PolarHBondContact O-N 3.37Å; T101-A103 VanDerWaalsContact O-N 3.1Å; T101-A103 PolarHBondContact OG1-N 3.14Å; T101-D104 PolarHBondContact N-OD2 3.3Å; T101-D104 WeakPolarHBondContact O-CB 3.47Å; T101-D104 PolarHBondContact O-N 3.42Å; T101-D104 PolarHBondContact OG1-OD2 3.18Å
102Y50.6Low56.5Low196 Ų19695.8 Ų95.877%0.76946%0.464SS*.G310 helixtrans-55.4-26.5171.7-80.4-84000113D104 I105Y102-D104 VanDerWaalsContact C-N 3.25Å; Y102-D104 PolarHBondContact O-N 3.46Å; Y102-I105 HydrophobicContact CD1-CD1 3.55Å; Y102-I105 HydrophobicContact CE1-CD1 4.21Å; Y102-I105 HydrophobicContact CG-CD1 4.25Å; Y102-I105 WeakPolarHBondContact O-CB 3.07Å; Y102-I105 WeakPolarHBondContact O-CG1 3.22Å; Y102-I105 PolarHBondContact O-N 3.37Å
103A62.5Low58.7Low77 Ų7788.8 Ų88.864%0.63644%0.439SS*.G310 helixtrans-68.2-22.8177.800000113.3T101 I105 P106T101-A103 PolarHBondContact O-N 3.37Å; T101-A103 VanDerWaalsContact O-N 3.1Å; T101-A103 PolarHBondContact OG1-N 3.14Å; A103-I105 VanDerWaalsContact C-N 3.31Å; A103-P106 WeakPolarHBondContact O-CD 3.5Å
104D65.3Low60.9Low50 Ų5087.1 Ų87.127%0.26743%0.43SS..G310 helixtrans-79.7-18.4178.6-58.2-45.7000112.1P99 K100 T101 Y102 L107 I108P99-D104 HydrophobicContact CB-CB 3.78Å; K100-D104 PolarHBondContact N-OD2 3.04Å; T101-D104 PolarHBondContact N-OD2 3.3Å; T101-D104 WeakPolarHBondContact O-CB 3.47Å; T101-D104 PolarHBondContact O-N 3.42Å; T101-D104 PolarHBondContact OG1-OD2 3.18Å; Y102-D104 VanDerWaalsContact C-N 3.25Å; Y102-D104 PolarHBondContact O-N 3.46Å; D104-L107 PolarHBondContact O-N 2.9Å; D104-I108 HydrophobicContact CB-CD1 3.94Å; D104-I108 WeakPolarHBondContact O-CD1 3.45Å; D104-I108 WeakPolarHBondContact O-CG1 3.44Å; D104-I108 PolarHBondContact O-N 3.42Å
105I63.6Low62.4Low19 Ų1985.1 Ų85.110%0.09741%0.414CS..Hα-helixtrans-58.1-52-173.5-64.9175.9000111.5P99 Y102 A103 L107 I108 R109 F206P99-I105 HydrophobicContact CB-CG1 3.83Å; P99-I105 HydrophobicContact CG-CG1 4.02Å; Y102-I105 HydrophobicContact CD1-CD1 3.55Å; Y102-I105 HydrophobicContact CE1-CD1 4.21Å; Y102-I105 HydrophobicContact CG-CD1 4.25Å; Y102-I105 WeakPolarHBondContact O-CB 3.07Å; Y102-I105 WeakPolarHBondContact O-CG1 3.22Å; Y102-I105 PolarHBondContact O-N 3.37Å; A103-I105 VanDerWaalsContact C-N 3.31Å; I105-L107 VanDerWaalsContact C-N 3.29Å; I105-L107 PolarHBondContact O-N 3.44Å; I105-I108 PolarHBondContact O-N 3Å; I105-R109 HydrophobicContact CG2-CG 4.06Å; I105-R109 WeakPolarHBondContact O-CB 3.46Å; I105-R109 WeakPolarHBondContact O-CG 3.26Å; I105-R109 PolarHBondContact O-N 3.18Å; I105-F206 HydrophobicContact CD1-CE2 3.9Å; I105-F206 HydrophobicContact CD1-CZ 3.77Å; I105-F206 HydrophobicContact CG2-CE2 3.73Å; I105-F206 HydrophobicContact CG2-CZ 4.29Å
106P70.8Confident64Low86 Ų8676.2 Ų76.256%0.55838%0.376SS*.Hα-helixtrans-57.9-39.7-179.6-24.735.6000113.4A103 R109 E110A103-P106 WeakPolarHBondContact O-CD 3.5Å; P106-R109 PolarHBondContact O-N 3.44Å; P106-E110 PolarHBondContact O-N 3.24Å
107L74Confident65.5Low108 Ų10874.7 Ų74.757%0.56537%0.368SS*.Hα-helixtrans-65.9-42.2178.8-72.3167.1000111.8D104 I105 E110 R111D104-L107 PolarHBondContact O-N 2.9Å; I105-L107 VanDerWaalsContact C-N 3.29Å; I105-L107 PolarHBondContact O-N 3.44Å; L107-E110 PolarHBondContact O-N 3.37Å; L107-R111 WeakPolarHBondContact O-CG 3.33Å; L107-R111 PolarHBondContact O-N 3.21Å
108I69.4Low66.7Low15 Ų1574.6 Ų74.68%0.07737%0.367CS..Hα-helixtrans-66.9-40.3177.2-70.5159.8000110.8D97 P99 D104 I105 E110 R111 N112D97-I108 HydrophobicContact CB-CG1 4.46Å; D97-I108 VanDerWaalsContact O-CD1 3.26Å; D97-I108 WeakPolarHBondContact O-CD1 3.46Å; P99-I108 VanDerWaalsContact CA-CD1 3.47Å; P99-I108 HydrophobicContact CB-CD1 3.56Å; P99-I108 HydrophobicContact CG-CD1 3.93Å; D104-I108 HydrophobicContact CB-CD1 3.94Å; D104-I108 WeakPolarHBondContact O-CD1 3.45Å; D104-I108 WeakPolarHBondContact O-CG1 3.44Å; D104-I108 PolarHBondContact O-N 3.42Å; I105-I108 PolarHBondContact O-N 3Å; I108-E110 PolarHBondContact O-N 3.37Å; I108-R111 PolarHBondContact O-N 2.88Å; I108-N112 WeakPolarHBondContact O-CB 3.4Å; I108-N112 VanDerWaalsContact O-CG 3.24Å; I108-N112 PolarHBondContact O-N 3.29Å
109R75.3Confident67.6Low90 Ų9072.7 Ų72.734%0.3436%0.358SS..Hα-helixtrans-61.2-44176.8-68.8-174.970.8173.44111.9I105 P106 N112 K113 Y236 D239I105-R109 HydrophobicContact CG2-CG 4.06Å; I105-R109 WeakPolarHBondContact O-CB 3.46Å; I105-R109 WeakPolarHBondContact O-CG 3.26Å; I105-R109 PolarHBondContact O-N 3.18Å; P106-R109 PolarHBondContact O-N 3.44Å; R109-N112 PolarHBondContact O-N 3.11Å; R109-K113 WeakPolarHBondContact O-CB 3.21Å; R109-K113 PolarHBondContact O-N 3.16Å; R109-Y236 HydrophobicContact CG-CD2 3.93Å; R109-Y236 HydrophobicContact CG-CE2 4.19Å; R109-D239 VanDerWaalsContact CA-OD2 3.28Å; R109-D239 WeakPolarHBondContact CA-OD2 3.48Å; R109-D239 WeakPolarHBondContact CB-OD2 3.38Å; R109-D239 WeakPolarHBondContact CG-OD2 3.49Å; R109-D239 IonicContact CZ-OD1 2.69Å; R109-D239 VanDerWaalsContact CZ-OD1 3.26Å; R109-D239 IonicContact NE-OD1 3.79Å; R109-D239 PolarHBondContact NE-OD1 3.39Å; R109-D239 IonicContact NE-OD2 2.75Å; R109-D239 IonicContact NH2-OD1 2.88Å; R109-D239 PolarHBondContact NH2-OD1 2.8Å
110E78.7Confident68.5Low105 Ų10571.9 Ų71.949%0.49135%0.352SS..Hα-helixtrans-66.2-40.9176.5-165.859.2-150.800111.9P106 L107 I108 K113 Q114P106-E110 PolarHBondContact O-N 3.24Å; L107-E110 PolarHBondContact O-N 3.37Å; I108-E110 PolarHBondContact O-N 3.37Å; E110-K113 PolarHBondContact O-N 2.96Å; E110-Q114 PolarHBondContact O-N 2.99Å
111R75.5Confident69.5Low147 Ų14765 Ų6556%0.55533%0.325SS*.Hα-helixtrans-61-45.4174-75.1176.5-177.2-177.93.9112.5D97 L107 I108 K113 Q114 L115D97-R111 IonicContact OD2-NH1 2.94Å; D97-R111 PolarHBondContact OD2-NH1 2.91Å; L107-R111 WeakPolarHBondContact O-CG 3.33Å; L107-R111 PolarHBondContact O-N 3.21Å; I108-R111 PolarHBondContact O-N 2.88Å; R111-K113 VanDerWaalsContact C-N 3.32Å; R111-K113 PolarHBondContact O-N 3.21Å; R111-Q114 PolarHBondContact O-N 2.78Å; R111-L115 VanDerWaalsContact O-CB 3.23Å; R111-L115 WeakPolarHBondContact O-CB 3.49Å; R111-L115 PolarHBondContact O-N 3.38Å
112N71.9Confident70.2Confident23 Ų2365.8 Ų65.812%0.12332%0.321CS..Hα-helixtrans-60.3-44.9177.8-77-14.5000111.2I108 R109 L115 L116 I235 D239I108-N112 WeakPolarHBondContact O-CB 3.4Å; I108-N112 VanDerWaalsContact O-CG 3.24Å; I108-N112 PolarHBondContact O-N 3.29Å; R109-N112 PolarHBondContact O-N 3.11Å; N112-L115 PolarHBondContact O-N 2.91Å; N112-L116 WeakPolarHBondContact O-CG 3.45Å; N112-L116 PolarHBondContact O-N 3.19Å; N112-L116 VanDerWaalsContact O-N 3.09Å; N112-I235 HydrophobicContact CB-CG2 4.19Å; N112-D239 HydrophobicContact CB-CB 4.39Å
113K76.5Confident70.7Confident51 Ų5157.6 Ų57.622%0.22229%0.29CS..Hα-helixtrans-60.7-50.6176.9-176.6-171.1171.1-161.40111.1R109 E110 R111 L115 L116 L117 A243R109-K113 WeakPolarHBondContact O-CB 3.21Å; R109-K113 PolarHBondContact O-N 3.16Å; E110-K113 PolarHBondContact O-N 2.96Å; R111-K113 VanDerWaalsContact C-N 3.32Å; R111-K113 PolarHBondContact O-N 3.21Å; K113-L115 VanDerWaalsContact C-N 3.34Å; K113-L115 PolarHBondContact O-N 2.88Å; K113-L116 PolarHBondContact O-N 3.21Å; K113-L117 HydrophobicContact CG-CD1 4.35Å; K113-L117 WeakPolarHBondContact O-CG 3.28Å; K113-L117 PolarHBondContact O-N 3.24Å; K113-L117 VanDerWaalsContact O-N 3.14Å; K113-A243 HydrophobicContact CG-CB 3.94Å
114Q77.2Confident70.8Confident85 Ų8555.4 Ų55.440%0.39727%0.27SS..Hα-helixtrans-62.1-42.1179.7-170.160.544.100112E110 R111 L116 L117 D118E110-Q114 PolarHBondContact O-N 2.99Å; R111-Q114 PolarHBondContact O-N 2.78Å; Q114-L116 VanDerWaalsContact C-N 3.31Å; Q114-L116 PolarHBondContact O-N 2.97Å; Q114-L117 PolarHBondContact O-N 3.41Å; Q114-L117 VanDerWaalsContact O-N 3.16Å; Q114-D118 PolarHBondContact NE2-OD1 3.45Å; Q114-D118 VanDerWaalsContact O-CG 3.29Å; Q114-D118 PolarHBondContact O-N 2.88Å
115L70.6Confident70.6Confident69 Ų6960.5 Ų60.536%0.36129%0.292SS..Hα-helixtrans-58.5-42177.3179.762.8000112.4R111 N112 K113 M119 K233R111-L115 VanDerWaalsContact O-CB 3.23Å; R111-L115 WeakPolarHBondContact O-CB 3.49Å; R111-L115 PolarHBondContact O-N 3.38Å; N112-L115 PolarHBondContact O-N 2.91Å; K113-L115 VanDerWaalsContact C-N 3.34Å; K113-L115 PolarHBondContact O-N 2.88Å; L115-M119 WeakPolarHBondContact O-CB 3.34Å; L115-M119 PolarHBondContact O-N 2.81Å; L115-K233 HydrophobicContact CD2-CD 3.66Å; L115-K233 HydrophobicContact CD2-CG 4.48Å; L115-K233 HydrophobicContact CG-CD 4.36Å
116L72.9Confident70.2Confident1 Ų166.2 Ų66.21%0.00532%0.316CS..Hα-helixtrans-63.9-44.2175.5-77.7172.7000111.9N112 K113 Q114 M119 W120 I235 F240 A243N112-L116 WeakPolarHBondContact O-CG 3.45Å; N112-L116 PolarHBondContact O-N 3.19Å; N112-L116 VanDerWaalsContact O-N 3.09Å; K113-L116 PolarHBondContact O-N 3.21Å; Q114-L116 VanDerWaalsContact C-N 3.31Å; Q114-L116 PolarHBondContact O-N 2.97Å; L116-M119 HydrophobicContact CD2-CE 3.91Å; L116-M119 PolarHBondContact O-N 3.25Å; L116-W120 HydrophobicContact CB-CE3 4.18Å; L116-W120 HydrophobicContact CB-CH2 4.31Å; L116-W120 HydrophobicContact CB-CZ3 3.92Å; L116-W120 HydrophobicContact CD1-CH2 4.47Å; L116-W120 HydrophobicContact CD2-CH2 4.43Å; L116-W120 HydrophobicContact CD2-CZ2 4.42Å; L116-W120 VanDerWaalsContact O-CD2 3.31Å; L116-W120 VanDerWaalsContact O-CE3 3.3Å; L116-W120 PolarHBondContact O-N 3.29Å; L116-I235 HydrophobicContact CD1-CD1 4.08Å; L116-I235 HydrophobicContact CD1-CG2 4.02Å; L116-I235 HydrophobicContact CD2-CD1 3.61Å; L116-I235 HydrophobicContact CG-CD1 3.84Å; L116-F240 HydrophobicContact CD1-CB 4.32Å; L116-F240 HydrophobicContact CD1-CD2 3.94Å; L116-F240 HydrophobicContact CD2-CD2 4.4Å; L116-A243 HydrophobicContact CB-CB 3.73Å; L116-A243 HydrophobicContact CD1-CB 3.67Å; L116-A243 HydrophobicContact CG-CB 4.38Å
117L76.4Confident69.4Low10 Ų1065.4 Ų65.45%0.05231%0.31CS..Hα-helixtrans-62.3-50.4179.2-64.9169.4000111.8K113 Q114 M119 W120 N121 A243 L246 W247K113-L117 HydrophobicContact CG-CD1 4.35Å; K113-L117 WeakPolarHBondContact O-CG 3.28Å; K113-L117 PolarHBondContact O-N 3.24Å; K113-L117 VanDerWaalsContact O-N 3.14Å; Q114-L117 PolarHBondContact O-N 3.41Å; Q114-L117 VanDerWaalsContact O-N 3.16Å; L117-M119 PolarHBondContact O-N 3.38Å; L117-W120 PolarHBondContact O-N 2.9Å; L117-N121 WeakPolarHBondContact O-CB 3.36Å; L117-N121 PolarHBondContact O-N 2.88Å; L117-N121 PolarHBondContact O-ND2 2.73Å; L117-N121 PolarHBondContact O-OD1 2.97Å; L117-A243 HydrophobicContact CD2-CB 4.41Å; L117-A243 WeakPolarHBondContact CD2-O 3.45Å; L117-A243 HydrophobicContact CG-CB 4.44Å; L117-L246 HydrophobicContact CD1-CD2 3.67Å; L117-L246 HydrophobicContact CD2-CB 4.3Å; L117-L246 HydrophobicContact CD2-CD2 4.3Å; L117-L246 HydrophobicContact CD2-CG 4.34Å; L117-W247 HydrophobicContact CD2-CB 3.83Å
118D72.1Confident68.2Low83 Ų8363.9 Ų63.944%0.44431%0.307SS..Hα-helixtrans-59.2-41.4-178.9-67.5-16000111.3Q114 N121 F122Q114-D118 PolarHBondContact NE2-OD1 3.45Å; Q114-D118 VanDerWaalsContact O-CG 3.29Å; Q114-D118 PolarHBondContact O-N 2.88Å; D118-N121 PolarHBondContact O-N 2.95Å; D118-F122 WeakPolarHBondContact O-CB 3.47Å; D118-F122 PolarHBondContact O-N 3.48Å
119M65.1Low67.3Low16 Ų1664.7 Ų64.78%0.07931%0.31CS..Hα-helixtrans-66.2-43.8179.7-173.31799000112.1L115 L116 L117 F122 Q123 N133L115-M119 WeakPolarHBondContact O-CB 3.34Å; L115-M119 PolarHBondContact O-N 2.81Å; L116-M119 HydrophobicContact CD2-CE 3.91Å; L116-M119 PolarHBondContact O-N 3.25Å; L117-M119 PolarHBondContact O-N 3.38Å; M119-F122 PolarHBondContact O-N 3Å; M119-Q123 WeakPolarHBondContact O-CB 3.4Å; M119-Q123 VanDerWaalsContact O-CG 3.29Å; M119-Q123 WeakPolarHBondContact O-CG 3.38Å; M119-Q123 PolarHBondContact O-N 3.1Å; M119-N133 WeakPolarHBondContact CE-ND2 3.31Å
120W70.8Confident65.7Low4 Ų468.2 Ų68.22%0.01533%0.328CS..Hα-helixtrans-69.5-37.2176.1-72.5-40.1000113.4L116 L117 Q123 S124 N133 F240 A243 L244 W247L116-W120 HydrophobicContact CB-CE3 4.18Å; L116-W120 HydrophobicContact CB-CH2 4.31Å; L116-W120 HydrophobicContact CB-CZ3 3.92Å; L116-W120 HydrophobicContact CD1-CH2 4.47Å; L116-W120 HydrophobicContact CD2-CH2 4.43Å; L116-W120 HydrophobicContact CD2-CZ2 4.42Å; L116-W120 VanDerWaalsContact O-CD2 3.31Å; L116-W120 VanDerWaalsContact O-CE3 3.3Å; L116-W120 PolarHBondContact O-N 3.29Å; L117-W120 PolarHBondContact O-N 2.9Å; W120-Q123 PolarHBondContact O-N 2.95Å; W120-S124 WeakPolarHBondContact O-CB 3.43Å; W120-S124 PolarHBondContact O-N 3.48Å; W120-S124 PolarHBondContact O-OG 3.05Å; W120-N133 PolarHBondContact NE1-ND2 3.03Å; W120-F240 HydrophobicContact CH2-CD2 4.21Å; W120-F240 AromaticContact CH2-CE2 3.48Å; W120-F240 HydrophobicContact CH2-CE2 3.48Å; W120-F240 VanDerWaalsContact CH2-CE2 3.48Å; W120-F240 HydrophobicContact CH2-CZ 4.06Å; W120-F240 HydrophobicContact CZ2-CD2 4.42Å; W120-F240 AromaticContact CZ2-CE2 3.45Å; W120-F240 HydrophobicContact CZ2-CE2 3.45Å; W120-F240 VanDerWaalsContact CZ2-CE2 3.45Å; W120-F240 HydrophobicContact CZ2-CZ 4.04Å; W120-A243 HydrophobicContact CH2-CB 4.32Å; W120-A243 HydrophobicContact CZ3-CB 3.73Å; W120-L244 HydrophobicContact CH2-CB 3.83Å; W120-L244 HydrophobicContact CH2-CD1 4.05Å; W120-L244 HydrophobicContact CZ2-CD1 4.23Å; W120-L244 HydrophobicContact CZ3-CB 4.29Å; W120-W247 HydrophobicContact CB-CD2 4.12Å; W120-W247 HydrophobicContact CB-CG 4.06Å; W120-W247 HydrophobicContact CB-CZ2 4.24Å; W120-W247 VanDerWaalsContact CB-NE1 3.3Å; W120-W247 HydrophobicContact CD2-CG 4.35Å; W120-W247 HydrophobicContact CE3-CB 3.8Å; W120-W247 HydrophobicContact CE3-CD2 4.46Å; W120-W247 AromaticContact CE3-CG 3.85Å; W120-W247 HydrophobicContact CE3-CG 3.85Å; W120-W247 HydrophobicContact CZ3-CB 4.16Å
121N70.7Confident63.9Low54 Ų5464.4 Ų64.429%0.28931%0.312SS..Hα-helixtrans-62.6-44.4173.4-67.3-13.7000111L117 D118 Q123 S124 E125 W247 H251L117-N121 WeakPolarHBondContact O-CB 3.36Å; L117-N121 PolarHBondContact O-N 2.88Å; L117-N121 PolarHBondContact O-ND2 2.73Å; L117-N121 PolarHBondContact O-OD1 2.97Å; D118-N121 PolarHBondContact O-N 2.95Å; N121-Q123 VanDerWaalsContact C-N 3.33Å; N121-Q123 PolarHBondContact O-N 3.42Å; N121-S124 PolarHBondContact O-N 3.32Å; N121-S124 PolarHBondContact O-OG 3.43Å; N121-E125 WeakPolarHBondContact O-CG 3.34Å; N121-E125 PolarHBondContact O-N 3.42Å; N121-E125 VanDerWaalsContact O-N 3.15Å; N121-W247 VanDerWaalsContact OD1-CD1 3.27Å; N121-W247 PolarHBondContact OD1-NE1 2.87Å; N121-W247 VanDerWaalsContact OD1-NE1 3.12Å; N121-H251 PolarHBondContact OD1-CE1 2.99Å
122F65.2Low62.5Low92 Ų9258 Ų5840%0.40429%0.289SS..Hα-helixtrans-63.9-38.5175.9178-98.3000112.9D118 M119 K126D118-F122 WeakPolarHBondContact O-CB 3.47Å; D118-F122 PolarHBondContact O-N 3.48Å; M119-F122 PolarHBondContact O-N 3Å; F122-K126 HydrophobicContact CD1-CD 4.46Å; F122-K126 HydrophobicContact CE1-CD 3.82Å; F122-K126 HydrophobicContact CE2-CD 4.04Å; F122-K126 HydrophobicContact CZ-CD 3.63Å; F122-K126 PolarHBondContact O-N 2.95Å
123Q60.9Low61.2Low25 Ų2557.2 Ų57.212%0.11728%0.284CS..Hα-helixtrans-66.4-42.1175.9-76.6173.8-14.300111.5M119 W120 N121 E125 K126 V127 V131 N133M119-Q123 WeakPolarHBondContact O-CB 3.4Å; M119-Q123 VanDerWaalsContact O-CG 3.29Å; M119-Q123 WeakPolarHBondContact O-CG 3.38Å; M119-Q123 PolarHBondContact O-N 3.1Å; W120-Q123 PolarHBondContact O-N 2.95Å; N121-Q123 VanDerWaalsContact C-N 3.33Å; N121-Q123 PolarHBondContact O-N 3.42Å; Q123-E125 VanDerWaalsContact C-N 3.29Å; Q123-E125 PolarHBondContact O-N 2.89Å; Q123-K126 PolarHBondContact O-N 3.08Å; Q123-V127 CarbonylContact O-C 3.47Å; Q123-V127 PolarHBondContact O-N 3.44Å; Q123-V127 VanDerWaalsContact O-O 3.14Å; Q123-V131 PolarHBondContact OE1-O 2.61Å; Q123-N133 PolarHBondContact NE2-OD1 3.41Å; Q123-N133 PolarHBondContact OE1-OD1 2.85Å
124S63.3Low59.7Low31 Ų3156.5 Ų56.522%0.21728%0.282CS..Hα-helixtrans-63.4-34.8179.767.70000112.2W120 N121W120-S124 WeakPolarHBondContact O-CB 3.43Å; W120-S124 PolarHBondContact O-N 3.48Å; W120-S124 PolarHBondContact O-OG 3.05Å; N121-S124 PolarHBondContact O-N 3.32Å; N121-S124 PolarHBondContact O-OG 3.43Å
125E62.7Low58.2Low157 Ų15752.5 Ų52.573%0.73426%0.263SS*.Hα-helixtrans-66.2-37.5174.3-72.9176.1-176.700113.6N121 Q123N121-E125 WeakPolarHBondContact O-CG 3.34Å; N121-E125 PolarHBondContact O-N 3.42Å; N121-E125 VanDerWaalsContact O-N 3.15Å; Q123-E125 VanDerWaalsContact C-N 3.29Å; Q123-E125 PolarHBondContact O-N 2.89Å
126K54.7Low57.1Low138 Ų13849.2 Ų49.260%0.625%0.246SC*.Hα-helixtrans-96.2-37.8-169.9-71.8-164.4173.9-169.20114.8F122 Q123F122-K126 HydrophobicContact CD1-CD 4.46Å; F122-K126 HydrophobicContact CE1-CD 3.82Å; F122-K126 HydrophobicContact CE2-CD 4.04Å; F122-K126 HydrophobicContact CZ-CD 3.63Å; F122-K126 PolarHBondContact O-N 2.95Å; Q123-K126 PolarHBondContact O-N 3.08Å
127V52.7Low55.9Low69 Ų6949.3 Ų49.342%0.41825%0.246SC..SBendtrans-141.891.5-178.7-1740000106.5Q123 M129 K130 V131Q123-V127 CarbonylContact O-C 3.47Å; Q123-V127 PolarHBondContact O-N 3.44Å; Q123-V127 VanDerWaalsContact O-O 3.14Å; V127-M129 PolarHBondContact O-N 3.12Å; V127-K130 HydrophobicContact CG1-CB 4.17Å; V127-V131 HydrophobicContact CB-CG2 4.39Å; V127-V131 HydrophobicContact CG1-CG2 4.1Å
128P50Low54.4Low77 Ų7748.9 Ų48.950%0.524%0.244SC..THydrogen-bonded Turntrans-51.6115.9-179.2-24.331.5000109.8K130P128-K130 VanDerWaalsContact C-N 3.28Å; P128-K130 PolarHBondContact O-N 3.26Å
129M50Low53.1Low31 Ų3145.1 Ų45.115%0.15322%0.224CC..THydrogen-bonded Turntrans66.5-3.7157.9-62.2-77.5145.300119.2V127 M132 W247 L255 Y258V127-M129 PolarHBondContact O-N 3.12Å; M129-M132 HydrophobicContact CE-CE 4.07Å; M129-M132 HydrophobicContact SD-CE 3.26Å; M129-M132 WeakPolarHBondContact SD-CE 3.41Å; M129-W247 HydrophobicContact CE-CH2 3.58Å; M129-W247 HydrophobicContact CE-CZ2 4.21Å; M129-W247 HydrophobicContact SD-CH2 4.49Å; M129-L255 HydrophobicContact CE-CD2 3.45Å; M129-L255 VanDerWaalsContact CE-CD2 3.45Å; M129-L255 HydrophobicContact CE-CG 4.13Å; M129-L255 HydrophobicContact SD-CD2 3.41Å; M129-L255 WeakPolarHBondContact SD-CD2 3.19Å; M129-Y258 HydrophobicContact CG-CD1 4.36Å; M129-Y258 HydrophobicContact CG-CD2 3.9Å; M129-Y258 HydrophobicContact CG-CE2 4.12Å; M129-Y258 HydrophobicContact CG-CG 4.06Å
130K42.9Very low52.1Low165 Ų16544.6 Ų44.672%0.71722%0.223SC*.THydrogen-bonded Turntrans-85.3-13177.6-80-171.4177.3178.70115.5V127 P128V127-K130 HydrophobicContact CG1-CB 4.17Å; P128-K130 VanDerWaalsContact C-N 3.28Å; P128-K130 PolarHBondContact O-N 3.26Å
131V40.6Very low50.8Low24 Ų2445 Ų4515%0.14523%0.226CC..  trans-129.140.2-168.6-160.20000110.7Q123 V127 N133 I197Q123-V131 PolarHBondContact OE1-O 2.61Å; V127-V131 HydrophobicContact CB-CG2 4.39Å; V127-V131 HydrophobicContact CG1-CG2 4.1Å; V131-N133 VanDerWaalsContact C-N 3.27Å; V131-N133 PolarHBondContact O-N 2.83Å; V131-I197 HydrophobicContact CG1-CB 4.45Å; V131-I197 HydrophobicContact CG2-CD1 4.44Å
132M45.4Very low49.6Very low14 Ų1444.9 Ų44.97%0.06922%0.221CC..SBendtrans-74.195.8163.6-93.2-178.7-84.900108.5M129 L162 W247 L255M129-M132 HydrophobicContact CE-CE 4.07Å; M129-M132 HydrophobicContact SD-CE 3.26Å; M129-M132 WeakPolarHBondContact SD-CE 3.41Å; M132-L162 HydrophobicContact CB-CB 4.28Å; M132-L162 HydrophobicContact CE-CB 3.51Å; M132-L162 HydrophobicContact CE-CD2 3.27Å; M132-L162 HydrophobicContact CE-CG 3.99Å; M132-L162 HydrophobicContact SD-CB 3.67Å; M132-L162 HydrophobicContact SD-CD2 3.56Å; M132-L162 VanDerWaalsContact SD-CD2 3.56Å; M132-L162 HydrophobicContact SD-CG 4.1Å; M132-W247 HydrophobicContact CE-CH2 3.68Å; M132-W247 HydrophobicContact CE-CZ3 3.93Å; M132-W247 HydrophobicContact CG-CH2 4.2Å; M132-W247 HydrophobicContact CG-CZ3 4.44Å; M132-W247 HydrophobicContact SD-CE3 4.14Å; M132-W247 HydrophobicContact SD-CH2 3.32Å; M132-W247 WeakPolarHBondContact SD-CH2 3.4Å; M132-W247 HydrophobicContact SD-CZ2 4.39Å; M132-W247 HydrophobicContact SD-CZ3 3.18Å; M132-W247 WeakPolarHBondContact SD-CZ3 3.49Å; M132-L255 HydrophobicContact CE-CD2 4.36Å
133N44.4Very low48.3Very low6 Ų645.2 Ų45.23%0.03222%0.224CC..  trans5.8115.9176.8-60.4-25.7000115.9M119 W120 Q123 V131 I135M119-N133 WeakPolarHBondContact CE-ND2 3.31Å; W120-N133 PolarHBondContact NE1-ND2 3.03Å; Q123-N133 PolarHBondContact NE2-OD1 3.41Å; Q123-N133 PolarHBondContact OE1-OD1 2.85Å; V131-N133 VanDerWaalsContact C-N 3.27Å; V131-N133 PolarHBondContact O-N 2.83Å; N133-I135 HydrophobicContact CB-CD1 4.39Å; N133-I135 HydrophobicContact CB-CG1 3.78Å; N133-I135 WeakPolarHBondContact O-CG1 3.48Å; N133-I135 PolarHBondContact O-N 3.3Å
134Q45Very low47.2Very low35 Ų3551.9 Ų51.916%0.16425%0.253CS..  trans-6296.4148.4-64.1173.8600107.1Y136 T195 C196Q134-Y136 HydrophobicContact CB-CD2 4.32Å; Q134-Y136 HydrophobicContact CB-CE2 3.4Å; Q134-Y136 WeakPolarHBondContact O-CD2 3.47Å; Q134-Y136 WeakPolarHBondContact O-CE2 3.28Å; Q134-Y136 PolarHBondContact OE1-OH 2.79Å; Q134-T195 PolarHBondContact NE2-O 3.12Å; Q134-T195 PolarHBondContact OE1-O 3.34Å; Q134-C196 PolarHBondContact OE1-SG 3.22Å
135I46.7Very low45.8Very low1 Ų152.7 Ų52.71%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-76.6143.1170.2-59.9-150.1000106.1N133 T158 G159 F160 L203 F240N133-I135 HydrophobicContact CB-CD1 4.39Å; N133-I135 HydrophobicContact CB-CG1 3.78Å; N133-I135 WeakPolarHBondContact O-CG1 3.48Å; N133-I135 PolarHBondContact O-N 3.3Å; I135-T158 CarbonylContact C-O 3.6Å; I135-T158 CarbonylContact O-C 3.51Å; I135-G159 WeakPolarHBondContact O-CA 3.43Å; I135-G159 PolarHBondContact O-N 3.04Å; I135-F160 HydrophobicContact CB-CD1 3.76Å; I135-F160 HydrophobicContact CB-CE1 3.23Å; I135-F160 HydrophobicContact CB-CZ 3.91Å; I135-F160 HydrophobicContact CD1-CE1 3.35Å; I135-F160 HydrophobicContact CD1-CE2 4.33Å; I135-F160 HydrophobicContact CD1-CZ 3.18Å; I135-F160 HydrophobicContact CG1-CD1 4.07Å; I135-F160 HydrophobicContact CG1-CE1 3.22Å; I135-F160 HydrophobicContact CG1-CE2 4.25Å; I135-F160 HydrophobicContact CG1-CZ 3.3Å; I135-F160 HydrophobicContact CG2-CE1 3.9Å; I135-L203 HydrophobicContact CD1-CD1 4.46Å; I135-L203 HydrophobicContact CG2-CD1 3.39Å; I135-L203 HydrophobicContact CG2-CD2 4.39Å; I135-L203 HydrophobicContact CG2-CG 3.6Å; I135-F240 HydrophobicContact CD1-CD1 4.42Å; I135-F240 HydrophobicContact CD1-CD2 3.4Å; I135-F240 HydrophobicContact CD1-CE1 3.97Å; I135-F240 HydrophobicContact CD1-CE2 2.87Å; I135-F240 HydrophobicContact CD1-CG 4.19Å; I135-F240 HydrophobicContact CD1-CZ 3.24Å; I135-F240 HydrophobicContact CG1-CE2 4.34Å
136Y46.1Very low44.3Very low1 Ų151 Ų510%0.00426%0.261CS..EExtended strand (participates in β ladder)trans-122.1100.6174-70-75.8000105.8Q134 V157 A192 T193 C196 I200 N201 F202Q134-Y136 HydrophobicContact CB-CD2 4.32Å; Q134-Y136 HydrophobicContact CB-CE2 3.4Å; Q134-Y136 WeakPolarHBondContact O-CD2 3.47Å; Q134-Y136 WeakPolarHBondContact O-CE2 3.28Å; Q134-Y136 PolarHBondContact OE1-OH 2.79Å; Y136-V157 HydrophobicContact CD1-CB 4.38Å; Y136-V157 HydrophobicContact CD1-CG1 3.16Å; Y136-V157 HydrophobicContact CE1-CG1 3.82Å; Y136-V157 HydrophobicContact CG-CG1 4.02Å; Y136-A192 HydrophobicContact CE1-CB 4.14Å; Y136-A192 PolarHBondContact OH-O 3.14Å; Y136-T193 HydrophobicContact CD2-CG2 4.05Å; Y136-T193 HydrophobicContact CE1-CG2 4.33Å; Y136-T193 HydrophobicContact CE2-CG2 3.98Å; Y136-T193 HydrophobicContact CG-CG2 4.3Å; Y136-C196 WeakPolarHBondContact CE2-SG 3.16Å; Y136-C196 PolarHBondContact OH-SG 3.25Å; Y136-I200 HydrophobicContact CD2-CB 4.42Å; Y136-I200 HydrophobicContact CD2-CG1 4.31Å; Y136-I200 HydrophobicContact CD2-CG2 3.97Å; Y136-I200 HydrophobicContact CG-CG2 4.34Å; Y136-N201 CarbonylContact C-O 3.58Å; Y136-N201 PolarHBondContact N-O 3.14Å; Y136-N201 VanDerWaalsContact N-O 3.07Å; Y136-F202 WeakPolarHBondContact O-CA 3.38Å; Y136-F202 WeakPolarHBondContact O-CD1 3.49Å
137Y47.4Very low43.1Very low3 Ų352.6 Ų52.61%0.01227%0.27CS..EExtended strand (participates in β ladder)trans-57149.1166.8-176.9-123.6000109.1A139 C156 V157 L203 F294 V295Y137-A139 HydrophobicContact CD1-CB 4.41Å; Y137-A139 HydrophobicContact CE1-CB 3.35Å; Y137-A139 VanDerWaalsContact CE1-N 3.29Å; Y137-A139 VanDerWaalsContact CZ-N 3.3Å; Y137-A139 WeakPolarHBondContact OH-CA 3.37Å; Y137-A139 WeakPolarHBondContact OH-CB 3.3Å; Y137-C156 CarbonylContact C-O 3.45Å; Y137-C156 WeakPolarHBondContact CB-O 3.47Å; Y137-C156 HydrophobicContact CD1-CB 4.1Å; Y137-C156 WeakPolarHBondContact CD1-O 3.28Å; Y137-C156 HydrophobicContact CE1-CB 4.4Å; Y137-C156 CarbonylContact O-C 3.36Å; Y137-V157 WeakPolarHBondContact O-CA 3.38Å; Y137-V157 WeakPolarHBondContact O-CG2 3.21Å; Y137-L203 HydrophobicContact CD2-CB 3.99Å; Y137-L203 WeakPolarHBondContact CD2-O 3.34Å; Y137-L203 WeakPolarHBondContact CE2-O 3.43Å; Y137-F294 HydrophobicContact CD1-CD1 4.39Å; Y137-F294 HydrophobicContact CD2-CD1 4.24Å; Y137-F294 AromaticContact CD2-CE1 3.9Å; Y137-F294 HydrophobicContact CD2-CE1 3.9Å; Y137-F294 HydrophobicContact CE1-CB 4.43Å; Y137-F294 AromaticContact CE1-CD1 3.48Å; Y137-F294 HydrophobicContact CE1-CD1 3.48Å; Y137-F294 VanDerWaalsContact CE1-CD1 3.48Å; Y137-F294 HydrophobicContact CE1-CE1 4.12Å; Y137-F294 HydrophobicContact CE1-CG 4.32Å; Y137-F294 AromaticContact CE2-CD1 3.37Å; Y137-F294 HydrophobicContact CE2-CD1 3.37Å; Y137-F294 AromaticContact CE2-CE1 3.1Å; Y137-F294 HydrophobicContact CE2-CE1 3.1Å; Y137-F294 HydrophobicContact CE2-CG 4.43Å; Y137-F294 HydrophobicContact CE2-CZ 4.1Å; Y137-F294 AromaticContact CZ-CD1 2.92Å; Y137-F294 AromaticContact CZ-CE1 3.26Å; Y137-F294 AromaticContact CZ-CG 3.74Å; Y137-F294 WeakPolarHBondContact OH-CD1 3.17Å; Y137-F294 VanDerWaalsContact OH-CE1 3.31Å; Y137-F294 WeakPolarHBondContact OH-CE1 3.49Å; Y137-F294 WeakPolarHBondContact OH-CG 3.21Å; Y137-V295 HydrophobicContact CD1-CG2 3.36Å; Y137-V295 HydrophobicContact CE1-CG2 3.49Å; Y137-V295 VanDerWaalsContact CE1-CG2 3.49Å
138I46.9Very low42Very low1 Ų154.4 Ų54.41%0.00528%0.275CS..  trans-137.6111.4155.8-69.9-176.2000102.7V155 C156 V157 M189 F202 F212 L215 I216I138-V155 HydrophobicContact CB-CG1 4.23Å; I138-V155 HydrophobicContact CD1-CG1 4.12Å; I138-V155 HydrophobicContact CG1-CG1 3.78Å; I138-V155 HydrophobicContact CG2-CB 4.14Å; I138-V155 HydrophobicContact CG2-CG1 3.74Å; I138-V155 HydrophobicContact CG2-CG2 3.79Å; I138-C156 WeakPolarHBondContact CA-O 3.47Å; I138-C156 PolarHBondContact N-O 3.43Å; I138-V157 HydrophobicContact CD1-CG2 4.45Å; I138-V157 HydrophobicContact CG1-CG2 3.78Å; I138-M189 HydrophobicContact CD1-CE 3.7Å; I138-M189 HydrophobicContact CD1-SD 3.83Å; I138-F202 HydrophobicContact CB-CD1 4.08Å; I138-F202 HydrophobicContact CD1-CD1 3.47Å; I138-F202 VanDerWaalsContact CD1-CD1 3.47Å; I138-F202 HydrophobicContact CD1-CE1 3.13Å; I138-F202 HydrophobicContact CD1-CZ 3.96Å; I138-F202 HydrophobicContact CG1-CD1 3.51Å; I138-F202 HydrophobicContact CG1-CE1 3.55Å; I138-F212 HydrophobicContact CB-CE2 3.5Å; I138-F212 HydrophobicContact CB-CZ 3.85Å; I138-F212 HydrophobicContact CG2-CD2 4.37Å; I138-F212 HydrophobicContact CG2-CE2 3.45Å; I138-F212 VanDerWaalsContact CG2-CE2 3.45Å; I138-F212 HydrophobicContact CG2-CZ 4.18Å; I138-F212 WeakPolarHBondContact O-CE2 3.43Å; I138-L215 HydrophobicContact CG2-CD2 3.82Å; I138-I216 HydrophobicContact CD1-CD1 4.26Å
139A44.4Very low41.2Very low3 Ų355.7 Ų55.73%0.02529%0.286CS..  trans-76160.616000000109.1Y137 E154 P291Y137-A139 HydrophobicContact CD1-CB 4.41Å; Y137-A139 HydrophobicContact CE1-CB 3.35Å; Y137-A139 VanDerWaalsContact CE1-N 3.29Å; Y137-A139 VanDerWaalsContact CZ-N 3.3Å; Y137-A139 WeakPolarHBondContact OH-CA 3.37Å; Y137-A139 WeakPolarHBondContact OH-CB 3.3Å; A139-E154 CarbonylContact C-O 3.57Å; A139-P291 VanDerWaalsContact CB-CA 3.49Å; A139-P291 HydrophobicContact CB-CB 3.21Å; A139-P291 HydrophobicContact CB-CG 3.49Å; A139-P291 VanDerWaalsContact CB-CG 3.49Å
140G43.6Very low40.9Very low5 Ų554.5 Ų54.55%0.05228%0.281CS..  trans-139133.3150.700000107.6E154 N208G140-E154 WeakPolarHBondContact CA-O 3.44Å; G140-N208 PolarHBondContact O-ND2 3.27Å
141V43.4Very low41.2Very low13 Ų1349.4 Ų49.48%0.07927%0.269CS..  trans-84.5132162.5167.90000108.2Q288 C289 P291V141-Q288 HydrophobicContact CG1-CB 4Å; V141-Q288 HydrophobicContact CG1-CG 4.38Å; V141-C289 WeakPolarHBondContact CG2-O 3.36Å; V141-P291 VanDerWaalsContact CG2-CD 3.43Å; V141-P291 HydrophobicContact CG2-CG 3.85Å
142W45.9Very low41.7Very low51 Ų5151.2 Ų51.219%0.19328%0.28CS..  trans-127.6124.7178.3-6285.8000108.4K144 S150 V153 A211 L215 Q288W142-K144 PolarHBondContact O-N 3.33Å; W142-S150 WeakPolarHBondContact CZ3-OG 3.48Å; W142-V153 HydrophobicContact CH2-CG2 3.63Å; W142-V153 HydrophobicContact CZ2-CG2 3.69Å; W142-V153 HydrophobicContact CZ3-CG2 4.22Å; W142-A211 HydrophobicContact CB-CB 4.31Å; W142-A211 VanDerWaalsContact CD1-CB 3.4Å; W142-A211 HydrophobicContact CD2-CB 3.49Å; W142-A211 VanDerWaalsContact CD2-CB 3.49Å; W142-A211 VanDerWaalsContact CE2-CB 3.47Å; W142-A211 HydrophobicContact CE3-CB 4.22Å; W142-A211 HydrophobicContact CG-CB 3.48Å; W142-A211 VanDerWaalsContact CG-CB 3.48Å; W142-A211 HydrophobicContact CZ2-CB 4.2Å; W142-A211 VanDerWaalsContact CZ2-O 3.26Å; W142-A211 WeakPolarHBondContact CZ2-O 3.44Å; W142-L215 HydrophobicContact CZ2-CB 4.01Å; W142-L215 HydrophobicContact CZ2-CD1 4.28Å; W142-Q288 PolarHBondContact O-OE1 2.89Å
143E38.1Very low42.2Very low99 Ų9950.5 Ų50.546%0.46328%0.277SS..  trans-65126166.5-79.7-171.9154.600110.1S145 M148E143-S145 PolarHBondContact O-N 3.43Å; E143-M148 WeakPolarHBondContact OE2-CE 3.23Å
144K37.5Very low42.8Very low166 Ų16651 Ų5172%0.72228%0.279SS*.  trans-74.222.2-173.5-134.1-173.3-169.7-177.40113.5W142 P146 E286W142-K144 PolarHBondContact O-N 3.33Å; K144-P146 WeakPolarHBondContact O-CD 3.36Å; K144-E286 IonicContact NZ-OE2 2.58Å; K144-E286 PolarHBondContact NZ-OE2 2.89Å
145S33Very low43.4Very low48 Ų4849.4 Ų49.434%0.33627%0.271SS..  trans-89.9115.4176-177.10000109.3E143 H147 M148E143-S145 PolarHBondContact O-N 3.43Å; S145-H147 PolarHBondContact O-N 3.38Å; S145-H147 PolarHBondContact OG-N 3.35Å; S145-M148 PolarHBondContact O-N 2.97Å; S145-M148 VanDerWaalsContact O-N 3.09Å
146P32.6Very low43.9Very low120 Ų12049.4 Ų49.478%0.77927%0.272SS*.THydrogen-bonded Turntrans-60.8-6.817323.5-31.1000113.4K144K144-P146 WeakPolarHBondContact O-CD 3.36Å
147H28.9Very low44.5Very low173 Ų17349.5 Ų49.580%0.80127%0.272SS*.THydrogen-bonded Turntrans-112-0.6179.1-59.2-57000114.4S145S145-H147 PolarHBondContact O-N 3.38Å; S145-H147 PolarHBondContact OG-N 3.35Å
148M29.5Very low44.9Very low107 Ų10749.6 Ų49.653%0.52727%0.273SS..  trans-123.4109.5169.7-70.4176.851.500108.8E143 S145 S150E143-M148 WeakPolarHBondContact OE2-CE 3.23Å; S145-M148 PolarHBondContact O-N 2.97Å; S145-M148 VanDerWaalsContact O-N 3.09Å; M148-S150 PolarHBondContact O-N 3.45Å; M148-S150 VanDerWaalsContact O-N 3.17Å
149S33.4Very low45.4Very low103 Ų10349.6 Ų49.672%0.7227%0.273SS*.  trans-56.8118.215751.50000106.7A151S149-A151 PolarHBondContact O-N 3.04Å
150S43.3Very low46Very low7 Ų749.9 Ų49.95%0.04927%0.274CS..  trans-54.3116.5176.463.50000107.9W142 M148 V152 T176W142-S150 WeakPolarHBondContact CZ3-OG 3.48Å; M148-S150 PolarHBondContact O-N 3.45Å; M148-S150 VanDerWaalsContact O-N 3.17Å; S150-V152 PolarHBondContact O-N 2.91Å; S150-V152 PolarHBondContact OG-O 3.21Å; S150-T176 VanDerWaalsContact O-CG2 3.31Å; S150-T176 WeakPolarHBondContact O-CG2 3.46Å; S150-T176 PolarHBondContact O-OG1 2.69Å
151A49.2Very low46.7Very low57 Ų5750.8 Ų50.847%0.47128%0.278SS..SBendtrans-65.1-11.9-17700000111.2S149 D175 T176S149-A151 PolarHBondContact O-N 3.04Å; A151-D175 CarbonylContact O-C 3.34Å; A151-D175 WeakPolarHBondContact O-CA 3.35Å; A151-D175 VanDerWaalsContact O-CG 3.24Å; A151-T176 PolarHBondContact O-N 3.3Å
152V52Low47.3Very low62 Ų6250.6 Ų50.638%0.37628%0.277SS..EExtended strand (participates in β ladder)trans-134.5142.3-179.4-174.70000110.1S150 Y173 Y174S150-V152 PolarHBondContact O-N 2.91Å; S150-V152 PolarHBondContact OG-O 3.21Å; V152-Y173 HydrophobicContact CG1-CD1 4.25Å; V152-Y174 CarbonylContact C-O 2.92Å; V152-Y174 VanDerWaalsContact CA-O 3.27Å; V152-Y174 WeakPolarHBondContact CA-O 3.26Å
153V55.4Low47.6Very low0 Ų053.9 Ų53.90%029%0.294CS..EExtended strand (participates in β ladder)trans-118.6122.4166.7169.10000107.5W142 V155 Y174 T176 L215W142-V153 HydrophobicContact CH2-CG2 3.63Å; W142-V153 HydrophobicContact CZ2-CG2 3.69Å; W142-V153 HydrophobicContact CZ3-CG2 4.22Å; V153-V155 HydrophobicContact CG1-CG2 3.68Å; V153-Y174 PolarHBondContact N-O 3.06Å; V153-Y174 PolarHBondContact O-N 2.79Å; V153-T176 HydrophobicContact CB-CG2 4Å; V153-T176 HydrophobicContact CG2-CG2 3.2Å; V153-L215 HydrophobicContact CB-CD1 4.15Å; V153-L215 HydrophobicContact CG1-CD1 3.67Å; V153-L215 HydrophobicContact CG1-CD2 3.79Å; V153-L215 HydrophobicContact CG1-CG 4.4Å; V153-L215 HydrophobicContact CG2-CD1 3.82Å
154E56.2Low48.3Very low17 Ų1752.1 Ų52.18%0.07929%0.286CS..EExtended strand (participates in β ladder)trans-90.7116.6171.7-72.8174.6-163.400109.8A139 G140 Y171 D172 Y173 H277 P291A139-E154 CarbonylContact C-O 3.57Å; G140-E154 WeakPolarHBondContact CA-O 3.44Å; E154-Y171 HydrophobicContact CB-CE2 4.41Å; E154-Y171 PolarHBondContact OE2-OH 3.41Å; E154-D172 CarbonylContact C-O 3.39Å; E154-D172 WeakPolarHBondContact CA-O 3.44Å; E154-Y173 HydrophobicContact CB-CD1 4.48Å; E154-Y173 HydrophobicContact CG-CD1 3.25Å; E154-Y173 HydrophobicContact CG-CE1 3.38Å; E154-Y173 HydrophobicContact CG-CG 4.07Å; E154-Y173 WeakPolarHBondContact OE1-CE1 3.5Å; E154-H277 IonicContact OE1-CE1 3.32Å; E154-H277 PolarHBondContact OE1-CE1 3.18Å; E154-H277 IonicContact OE1-NE2 3.79Å; E154-H277 IonicContact OE2-CE1 3.22Å; E154-P291 HydrophobicContact CB-CB 4.44Å; E154-P291 HydrophobicContact CB-CG 3.51Å; E154-P291 HydrophobicContact CG-CG 4.47Å; E154-P291 WeakPolarHBondContact OE2-CD 3.46Å; E154-P291 VanDerWaalsContact OE2-CG 3.23Å; E154-P291 WeakPolarHBondContact OE2-CG 3.44Å
155V57.9Low49.2Very low0 Ų044.4 Ų44.40%025%0.253CS..EExtended strand (participates in β ladder)trans-108.1127.1-179.5168.30000109.7I138 V153 V157 Y171 D172 Y174 L185 L215I138-V155 HydrophobicContact CB-CG1 4.23Å; I138-V155 HydrophobicContact CD1-CG1 4.12Å; I138-V155 HydrophobicContact CG1-CG1 3.78Å; I138-V155 HydrophobicContact CG2-CB 4.14Å; I138-V155 HydrophobicContact CG2-CG1 3.74Å; I138-V155 HydrophobicContact CG2-CG2 3.79Å; V153-V155 HydrophobicContact CG1-CG2 3.68Å; V155-V157 HydrophobicContact CG1-CG2 3.6Å; V155-Y171 WeakPolarHBondContact O-CA 3.4Å; V155-D172 PolarHBondContact N-O 2.49Å; V155-D172 PolarHBondContact O-N 2.9Å; V155-Y174 HydrophobicContact CB-CD2 3.97Å; V155-Y174 HydrophobicContact CB-CE2 3.71Å; V155-Y174 HydrophobicContact CG1-CE2 4.46Å; V155-Y174 HydrophobicContact CG2-CD2 3.79Å; V155-Y174 HydrophobicContact CG2-CE2 3.98Å; V155-L185 HydrophobicContact CB-CD1 4.06Å; V155-L185 HydrophobicContact CG1-CD1 3.91Å; V155-L185 HydrophobicContact CG2-CD1 3.74Å; V155-L185 HydrophobicContact CG2-CD2 4.33Å; V155-L215 HydrophobicContact CG2-CD2 4.49Å
156C57.9Low50.2Low2 Ų242.6 Ų42.61%0.01424%0.241CC..EExtended strand (participates in β ladder)trans-120.7119170.7-169.90000111.4Y137 I138 C169 F170 Y171 P291 V295Y137-C156 CarbonylContact C-O 3.45Å; Y137-C156 WeakPolarHBondContact CB-O 3.47Å; Y137-C156 HydrophobicContact CD1-CB 4.1Å; Y137-C156 WeakPolarHBondContact CD1-O 3.28Å; Y137-C156 HydrophobicContact CE1-CB 4.4Å; Y137-C156 CarbonylContact O-C 3.36Å; I138-C156 WeakPolarHBondContact CA-O 3.47Å; I138-C156 PolarHBondContact N-O 3.43Å; C156-C169 VanDerWaalsContact SG-SG 3.68Å; C156-F170 CarbonylContact C-O 3.4Å; C156-F170 WeakPolarHBondContact CA-O 3.38Å; C156-F170 PolarHBondContact SG-O 2.93Å; C156-F170 VanDerWaalsContact SG-O 3.41Å; C156-Y171 HydrophobicContact CB-CD2 3.85Å; C156-P291 HydrophobicContact CB-CB 4.35Å; C156-V295 HydrophobicContact CB-CG2 3.62Å; C156-V295 WeakPolarHBondContact SG-CG2 3.38Å
157V57.3Low51.3Low2 Ų239.3 Ų39.31%0.01222%0.218CC..EExtended strand (participates in β ladder)trans-113.397-1721670000109.1Y136 Y137 I138 V155 C169 F170 A192Y136-V157 HydrophobicContact CD1-CB 4.38Å; Y136-V157 HydrophobicContact CD1-CG1 3.16Å; Y136-V157 HydrophobicContact CE1-CG1 3.82Å; Y136-V157 HydrophobicContact CG-CG1 4.02Å; Y137-V157 WeakPolarHBondContact O-CA 3.38Å; Y137-V157 WeakPolarHBondContact O-CG2 3.21Å; I138-V157 HydrophobicContact CD1-CG2 4.45Å; I138-V157 HydrophobicContact CG1-CG2 3.78Å; V155-V157 HydrophobicContact CG1-CG2 3.6Å; V157-C169 CarbonylContact O-C 3.18Å; V157-C169 VanDerWaalsContact O-CA 3.29Å; V157-C169 WeakPolarHBondContact O-CA 3.33Å; V157-F170 HydrophobicContact CB-CB 3.99Å; V157-F170 HydrophobicContact CB-CD1 4.09Å; V157-F170 HydrophobicContact CB-CG 4.5Å; V157-F170 HydrophobicContact CG1-CB 4.33Å; V157-F170 HydrophobicContact CG2-CD1 4.31Å; V157-F170 PolarHBondContact N-O 2.91Å; V157-F170 PolarHBondContact O-N 2.88Å; V157-A192 HydrophobicContact CG1-CB 3.49Å; V157-A192 VanDerWaalsContact CG1-CB 3.49Å
158T56.4Low52.5Low6 Ų632.5 Ų32.54%0.03719%0.19CC..EExtended strand (participates in β ladder)trans-111.2103.1-173.5-49.10000112.5I135 V166 C168 C169 I299I135-T158 CarbonylContact C-O 3.6Å; I135-T158 CarbonylContact O-C 3.51Å; T158-V166 HydrophobicContact CG2-CG1 3.68Å; T158-V166 HydrophobicContact CG2-CG2 4.1Å; T158-C168 CarbonylContact C-O 3.42Å; T158-C168 WeakPolarHBondContact CA-O 3.34Å; T158-C169 HydrophobicContact CG2-CB 4.46Å; T158-I299 HydrophobicContact CG2-CD1 4.24Å
159G58.4Low53.7Low0 Ų027.9 Ų27.90%017%0.168CC..EExtended strand (participates in β ladder)trans-77.7136.7170.300000112.3I135 V166 V167 C168I135-G159 WeakPolarHBondContact O-CA 3.43Å; I135-G159 PolarHBondContact O-N 3.04Å; G159-V166 CarbonylContact O-C 3.54Å; G159-V166 WeakPolarHBondContact O-CA 3.11Å; G159-V167 WeakPolarHBondContact O-CG2 3.33Å; G159-V167 PolarHBondContact O-N 3.46Å; G159-C168 WeakPolarHBondContact CA-SG 3.08Å; G159-C168 PolarHBondContact N-O 3.35Å; G159-C168 PolarHBondContact N-SG 3.48Å; G159-C168 PolarHBondContact O-N 2.94Å
160F56.4Low54.9Low9 Ų925.2 Ų25.24%0.03914%0.143CC..EExtended strand (participates in β ladder)trans-135.1163172.771.2-100.9000112I135 G165 F240 F298 Y302I135-F160 HydrophobicContact CB-CD1 3.76Å; I135-F160 HydrophobicContact CB-CE1 3.23Å; I135-F160 HydrophobicContact CB-CZ 3.91Å; I135-F160 HydrophobicContact CD1-CE1 3.35Å; I135-F160 HydrophobicContact CD1-CE2 4.33Å; I135-F160 HydrophobicContact CD1-CZ 3.18Å; I135-F160 HydrophobicContact CG1-CD1 4.07Å; I135-F160 HydrophobicContact CG1-CE1 3.22Å; I135-F160 HydrophobicContact CG1-CE2 4.25Å; I135-F160 HydrophobicContact CG1-CZ 3.3Å; I135-F160 HydrophobicContact CG2-CE1 3.9Å; F160-G165 CarbonylContact C-O 3.33Å; F160-G165 WeakPolarHBondContact CA-O 3.44Å; F160-G165 WeakPolarHBondContact CB-O 3.02Å; F160-F240 HydrophobicContact CE1-CE1 4.35Å; F160-F240 HydrophobicContact CE1-CZ 4.21Å; F160-F240 HydrophobicContact CE2-CZ 4.44Å; F160-F240 AromaticContact CZ-CE1 3.99Å; F160-F240 HydrophobicContact CZ-CE1 3.99Å; F160-F240 HydrophobicContact CZ-CE2 4.28Å; F160-F240 AromaticContact CZ-CZ 3.49Å; F160-F240 HydrophobicContact CZ-CZ 3.49Å; F160-F240 VanDerWaalsContact CZ-CZ 3.49Å; F160-F298 HydrophobicContact CE1-CE1 4.43Å; F160-Y302 HydrophobicContact CD2-CE1 4.45Å; F160-Y302 HydrophobicContact CD2-CE2 4.08Å; F160-Y302 AromaticContact CD2-CZ 3.74Å; F160-Y302 WeakPolarHBondContact CD2-OH 3.42Å; F160-Y302 HydrophobicContact CE1-CE2 4.36Å; F160-Y302 AromaticContact CE2-CE2 3.6Å; F160-Y302 HydrophobicContact CE2-CE2 3.6Å; F160-Y302 AromaticContact CE2-CZ 3.66Å; F160-Y302 VanDerWaalsContact CE2-OH 3.32Å; F160-Y302 WeakPolarHBondContact CE2-OH 3.25Å; F160-Y302 HydrophobicContact CZ-CD2 4.47Å; F160-Y302 AromaticContact CZ-CE2 3.74Å; F160-Y302 HydrophobicContact CZ-CE2 3.74Å
161T58Low55.7Low24 Ų2427.7 Ų27.715%0.14715%0.152CC..EExtended strand (participates in β ladder)trans-131.4157164.767.80000108.5Q163 E164 G165 V167T161-Q163 VanDerWaalsContact C-N 3.26Å; T161-Q163 PolarHBondContact O-N 3.18Å; T161-E164 WeakPolarHBondContact OG1-CB 3.48Å; T161-E164 PolarHBondContact OG1-N 3.47Å; T161-G165 PolarHBondContact N-O 3.28Å; T161-G165 VanDerWaalsContact O-CA 3.29Å; T161-G165 WeakPolarHBondContact O-CA 3.5Å; T161-G165 PolarHBondContact O-N 3.03Å; T161-V167 HydrophobicContact CG2-CG1 3.82Å; T161-V167 HydrophobicContact CG2-CG2 4.29Å
162L55.4Low56Low9 Ų926.8 Ų26.85%0.04714%0.139CC..THydrogen-bonded Turntrans-65-34176.9-166.370.5000111.9M132 W247 L255 F259 L306 F315M132-L162 HydrophobicContact CB-CB 4.28Å; M132-L162 HydrophobicContact CE-CB 3.51Å; M132-L162 HydrophobicContact CE-CD2 3.27Å; M132-L162 HydrophobicContact CE-CG 3.99Å; M132-L162 HydrophobicContact SD-CB 3.67Å; M132-L162 HydrophobicContact SD-CD2 3.56Å; M132-L162 VanDerWaalsContact SD-CD2 3.56Å; M132-L162 HydrophobicContact SD-CG 4.1Å; L162-W247 HydrophobicContact CD2-CZ3 4.44Å; L162-L255 HydrophobicContact CD2-CD2 3.47Å; L162-L255 VanDerWaalsContact CD2-CD2 3.47Å; L162-F259 HydrophobicContact CD1-CZ 4.32Å; L162-F259 HydrophobicContact CD2-CE1 4.32Å; L162-F259 HydrophobicContact CD2-CE2 4.06Å; L162-F259 HydrophobicContact CD2-CZ 3.39Å; L162-F259 HydrophobicContact CG-CE1 4.06Å; L162-F259 HydrophobicContact CG-CZ 3.53Å; L162-L306 HydrophobicContact CD1-CD1 3.85Å; L162-L306 HydrophobicContact CD1-CD2 3.71Å; L162-L306 HydrophobicContact CD1-CG 4.46Å; L162-F315 HydrophobicContact CD1-CE1 4.46Å
163Q53.7Low56.5Low120 Ų12027.4 Ų27.456%0.56114%0.135SC*.THydrogen-bonded Turntrans-81-44.3-176.9-171.5177.716.300113.5T161T161-Q163 VanDerWaalsContact C-N 3.26Å; T161-Q163 PolarHBondContact O-N 3.18Å
164E52.2Low56.8Low63 Ų6327.5 Ų27.529%0.29414%0.136SC..THydrogen-bonded Turntrans-100.8-2.8-174.7-57.4-170.7113.900113.4T161 V167 R318T161-E164 WeakPolarHBondContact OG1-CB 3.48Å; T161-E164 PolarHBondContact OG1-N 3.47Å; E164-V167 HydrophobicContact CB-CG1 3.73Å; E164-V167 WeakPolarHBondContact OE2-CG1 2.97Å; E164-R318 IonicContact OE1-CZ 3.43Å; E164-R318 IonicContact OE1-NH1 2.62Å; E164-R318 PolarHBondContact OE1-NH1 3.11Å; E164-R318 IonicContact OE1-NH2 3.55Å; E164-R318 PolarHBondContact OE1-NH2 3.45Å; E164-R318 IonicContact OE2-NH1 2.85Å
165G55.1Low57Low3 Ų330 Ų303%0.03115%0.149CC..EExtended strand (participates in β ladder)trans67.4-136.5-172.300000111F160 T161 V167F160-G165 CarbonylContact C-O 3.33Å; F160-G165 WeakPolarHBondContact CA-O 3.44Å; F160-G165 WeakPolarHBondContact CB-O 3.02Å; T161-G165 PolarHBondContact N-O 3.28Å; T161-G165 VanDerWaalsContact O-CA 3.29Å; T161-G165 WeakPolarHBondContact O-CA 3.5Å; T161-G165 PolarHBondContact O-N 3.03Å; G165-V167 PolarHBondContact O-N 2.91Å
166V55.9Low57Low11 Ų1130.5 Ų30.57%0.06715%0.152CC..EExtended strand (participates in β ladder)trans-70.4120.3177.1178.70000109.7T158 G159 C169 I299 P319T158-V166 HydrophobicContact CG2-CG1 3.68Å; T158-V166 HydrophobicContact CG2-CG2 4.1Å; G159-V166 CarbonylContact O-C 3.54Å; G159-V166 WeakPolarHBondContact O-CA 3.11Å; V166-C169 HydrophobicContact CG1-CB 4.46Å; V166-I299 HydrophobicContact CG2-CD1 3.98Å; V166-I299 HydrophobicContact CG2-CG1 4.26Å; V166-P319 HydrophobicContact CB-CG 4.49Å; V166-P319 HydrophobicContact CG2-CB 4.3Å; V166-P319 HydrophobicContact CG2-CG 4.21Å
167V53.9Low57Low50 Ų5033.2 Ų33.230%0.30318%0.181SC..EExtended strand (participates in β ladder)trans-103.7-23.9-178.3-65.50000113.1G159 T161 E164 G165G159-V167 WeakPolarHBondContact O-CG2 3.33Å; G159-V167 PolarHBondContact O-N 3.46Å; T161-V167 HydrophobicContact CG2-CG1 3.82Å; T161-V167 HydrophobicContact CG2-CG2 4.29Å; E164-V167 HydrophobicContact CB-CG1 3.73Å; E164-V167 WeakPolarHBondContact OE2-CG1 2.97Å; G165-V167 PolarHBondContact O-N 2.91Å
168C54Low57.3Low31 Ų3135.8 Ų35.821%0.20920%0.195CC..EExtended strand (participates in β ladder)trans-151.5150.3170.362.40000109.8T158 G159T158-C168 CarbonylContact C-O 3.42Å; T158-C168 WeakPolarHBondContact CA-O 3.34Å; G159-C168 WeakPolarHBondContact CA-SG 3.08Å; G159-C168 PolarHBondContact N-O 3.35Å; G159-C168 PolarHBondContact N-SG 3.48Å; G159-C168 PolarHBondContact O-N 2.94Å
169C56Low57.6Low9 Ų940 Ų406%0.06122%0.222CC..EExtended strand (participates in β ladder)trans-139.7129.1168.2178.70000106.3C156 V157 T158 V166 Y322C156-C169 VanDerWaalsContact SG-SG 3.68Å; V157-C169 CarbonylContact O-C 3.18Å; V157-C169 VanDerWaalsContact O-CA 3.29Å; V157-C169 WeakPolarHBondContact O-CA 3.33Å; T158-C169 HydrophobicContact CG2-CB 4.46Å; V166-C169 HydrophobicContact CG1-CB 4.46Å; C169-Y322 HydrophobicContact CB-CD1 3.65Å; C169-Y322 HydrophobicContact CB-CE1 3.41Å; C169-Y322 VanDerWaalsContact CB-CE1 3.41Å; C169-Y322 HydrophobicContact CB-CG 4.41Å; C169-Y322 PolarHBondContact O-OH 3.35Å
170F57.6Low58.1Low47 Ų4749.6 Ų49.621%0.20626%0.258CS..EExtended strand (participates in β ladder)trans-118.1134.4172.4167.7-83.8000106.3C156 V157 D172 Y174 D188C156-F170 CarbonylContact C-O 3.4Å; C156-F170 WeakPolarHBondContact CA-O 3.38Å; C156-F170 PolarHBondContact SG-O 2.93Å; C156-F170 VanDerWaalsContact SG-O 3.41Å; V157-F170 HydrophobicContact CB-CB 3.99Å; V157-F170 HydrophobicContact CB-CD1 4.09Å; V157-F170 HydrophobicContact CB-CG 4.5Å; V157-F170 HydrophobicContact CG1-CB 4.33Å; V157-F170 HydrophobicContact CG2-CD1 4.31Å; V157-F170 PolarHBondContact N-O 2.91Å; V157-F170 PolarHBondContact O-N 2.88Å; F170-D172 HydrophobicContact CE1-CB 3.59Å; F170-D172 HydrophobicContact CE2-CB 4.26Å; F170-D172 HydrophobicContact CZ-CB 3.32Å; F170-Y174 HydrophobicContact CE1-CE2 4.24Å; F170-Y174 WeakPolarHBondContact CE1-OH 3.37Å; F170-Y174 WeakPolarHBondContact CZ-OH 3.46Å; F170-D188 HydrophobicContact CD2-CB 4.44Å; F170-D188 HydrophobicContact CE1-CB 3.86Å; F170-D188 HydrophobicContact CE2-CB 3.69Å; F170-D188 HydrophobicContact CZ-CB 3.37Å; F170-D188 VanDerWaalsContact CZ-CG 3.45Å; F170-D188 VanDerWaalsContact CZ-OD2 3.3Å; F170-D188 WeakPolarHBondContact CZ-OD2 3.39Å
171Y59.8Low58.5Low59 Ų5950 Ų5023%0.23126%0.262CS..EExtended strand (participates in β ladder)trans-140.6121.5180176.2-110.7000108.8E154 V155 C156 Y173 P291 V292E154-Y171 HydrophobicContact CB-CE2 4.41Å; E154-Y171 PolarHBondContact OE2-OH 3.41Å; V155-Y171 WeakPolarHBondContact O-CA 3.4Å; C156-Y171 HydrophobicContact CB-CD2 3.85Å; Y171-Y173 HydrophobicContact CD1-CE2 4.21Å; Y171-Y173 HydrophobicContact CE1-CD2 4.29Å; Y171-Y173 AromaticContact CE1-CE2 3.33Å; Y171-Y173 HydrophobicContact CE1-CE2 3.33Å; Y171-Y173 AromaticContact CE1-CZ 3.61Å; Y171-Y173 WeakPolarHBondContact CE1-OH 3.03Å; Y171-Y173 AromaticContact CZ-CE2 3.67Å; Y171-Y173 AromaticContact CZ-CZ 3.58Å; Y171-Y173 PolarHBondContact OH-OH 2.58Å; Y171-P291 HydrophobicContact CE2-CB 4.04Å; Y171-V292 HydrophobicContact CD1-CG2 4.32Å; Y171-V292 HydrophobicContact CD2-CG2 3.98Å; Y171-V292 HydrophobicContact CE1-CG2 3.86Å; Y171-V292 HydrophobicContact CE2-CG2 3.49Å; Y171-V292 VanDerWaalsContact CE2-CG2 3.49Å; Y171-V292 HydrophobicContact CG-CG2 4.35Å; Y171-V292 VanDerWaalsContact CZ-CG2 3.4Å
172D57Low58.6Low38 Ų3849.2 Ų49.220%0.20326%0.257CS..EExtended strand (participates in β ladder)trans-154.5164.5179.8-152-18.4000111.8E154 V155 F170 Y174 K184E154-D172 CarbonylContact C-O 3.39Å; E154-D172 WeakPolarHBondContact CA-O 3.44Å; V155-D172 PolarHBondContact N-O 2.49Å; V155-D172 PolarHBondContact O-N 2.9Å; F170-D172 HydrophobicContact CE1-CB 3.59Å; F170-D172 HydrophobicContact CE2-CB 4.26Å; F170-D172 HydrophobicContact CZ-CB 3.32Å; D172-Y174 HydrophobicContact CB-CE2 3.78Å; D172-K184 IonicContact OD1-NZ 2.88Å; D172-K184 PolarHBondContact OD1-NZ 2.83Å; D172-K184 VanDerWaalsContact OD2-CE 3.22Å; D172-K184 WeakPolarHBondContact OD2-CE 3.1Å; D172-K184 IonicContact OD2-NZ 2.73Å; D172-K184 PolarHBondContact OD2-NZ 3.45Å
173Y61.9Low59Low75 Ų7551.7 Ų51.729%0.29427%0.27SS..EExtended strand (participates in β ladder)trans-111.4131-177.5-59.6-108.6000108.8V152 E154 Y171 W330V152-Y173 HydrophobicContact CG1-CD1 4.25Å; E154-Y173 HydrophobicContact CB-CD1 4.48Å; E154-Y173 HydrophobicContact CG-CD1 3.25Å; E154-Y173 HydrophobicContact CG-CE1 3.38Å; E154-Y173 HydrophobicContact CG-CG 4.07Å; E154-Y173 WeakPolarHBondContact OE1-CE1 3.5Å; Y171-Y173 HydrophobicContact CD1-CE2 4.21Å; Y171-Y173 HydrophobicContact CE1-CD2 4.29Å; Y171-Y173 AromaticContact CE1-CE2 3.33Å; Y171-Y173 HydrophobicContact CE1-CE2 3.33Å; Y171-Y173 AromaticContact CE1-CZ 3.61Å; Y171-Y173 WeakPolarHBondContact CE1-OH 3.03Å; Y171-Y173 AromaticContact CZ-CE2 3.67Å; Y171-Y173 AromaticContact CZ-CZ 3.58Å; Y171-Y173 PolarHBondContact OH-OH 2.58Å; Y173-W330 AromaticContact CE2-CH2 3.84Å; Y173-W330 HydrophobicContact CE2-CH2 3.84Å; Y173-W330 HydrophobicContact CE2-CZ2 4.33Å
174Y61Low59.6Low3 Ų350.2 Ų50.21%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-124.7119.5-176.1-62.4-80.9000110.3V152 V153 V155 F170 D172 T176 S181 K184 L185 D188V152-Y174 CarbonylContact C-O 2.92Å; V152-Y174 VanDerWaalsContact CA-O 3.27Å; V152-Y174 WeakPolarHBondContact CA-O 3.26Å; V153-Y174 PolarHBondContact N-O 3.06Å; V153-Y174 PolarHBondContact O-N 2.79Å; V155-Y174 HydrophobicContact CB-CD2 3.97Å; V155-Y174 HydrophobicContact CB-CE2 3.71Å; V155-Y174 HydrophobicContact CG1-CE2 4.46Å; V155-Y174 HydrophobicContact CG2-CD2 3.79Å; V155-Y174 HydrophobicContact CG2-CE2 3.98Å; F170-Y174 HydrophobicContact CE1-CE2 4.24Å; F170-Y174 WeakPolarHBondContact CE1-OH 3.37Å; F170-Y174 WeakPolarHBondContact CZ-OH 3.46Å; D172-Y174 HydrophobicContact CB-CE2 3.78Å; Y174-T176 PolarHBondContact O-N 3.04Å; Y174-S181 WeakPolarHBondContact CD1-O 3.4Å; Y174-K184 HydrophobicContact CE1-CB 4.19Å; Y174-K184 HydrophobicContact CE1-CD 4.07Å; Y174-K184 HydrophobicContact CE1-CG 4.08Å; Y174-L185 HydrophobicContact CD1-CB 3.64Å; Y174-L185 HydrophobicContact CD2-CB 4.46Å; Y174-L185 HydrophobicContact CD2-CD1 3.98Å; Y174-L185 HydrophobicContact CE1-CB 3.53Å; Y174-L185 HydrophobicContact CE1-CD1 4.17Å; Y174-L185 HydrophobicContact CE1-CG 4.44Å; Y174-L185 VanDerWaalsContact CE1-N 3.28Å; Y174-L185 HydrophobicContact CE2-CB 4.37Å; Y174-L185 HydrophobicContact CE2-CD1 3.54Å; Y174-L185 HydrophobicContact CE2-CG 4.47Å; Y174-L185 HydrophobicContact CG-CB 4.06Å; Y174-L185 HydrophobicContact CG-CD1 4.43Å; Y174-D188 WeakPolarHBondContact CE1-OD2 3.29Å; Y174-D188 VanDerWaalsContact OH-CB 3.3Å; Y174-D188 WeakPolarHBondContact OH-CB 3.41Å; Y174-D188 PolarHBondContact OH-OD2 2.92Å
175D61.9Low60.2Low69 Ų6947.2 Ų47.237%0.36925%0.248SC..EExtended strand (participates in β ladder)trans-70.1116.9175.2-174.6-35.1000109.6A151 G177 D178 S181A151-D175 CarbonylContact O-C 3.34Å; A151-D175 WeakPolarHBondContact O-CA 3.35Å; A151-D175 VanDerWaalsContact O-CG 3.24Å; D175-G177 PolarHBondContact O-N 3.15Å; D175-G177 VanDerWaalsContact OD1-CA 3.23Å; D175-G177 WeakPolarHBondContact OD1-CA 3.34Å; D175-G177 PolarHBondContact OD1-N 2.83Å; D175-D178 HydrophobicContact CB-CB 3.95Å; D175-D178 PolarHBondContact O-N 3.14Å; D175-D178 PolarHBondContact OD1-N 3.29Å; D175-D178 VanDerWaalsContact OD1-N 3.17Å; D175-S181 PolarHBondContact N-OG 3.47Å; D175-S181 WeakPolarHBondContact O-CB 3.32Å
176T57.1Low60.4Low10 Ų1047.6 Ų47.66%0.06125%0.251CS..THydrogen-bonded Turntrans-71.9-20.6-177.7730000113S150 A151 V153 Y174 W182 R218S150-T176 VanDerWaalsContact O-CG2 3.31Å; S150-T176 WeakPolarHBondContact O-CG2 3.46Å; S150-T176 PolarHBondContact O-OG1 2.69Å; A151-T176 PolarHBondContact O-N 3.3Å; V153-T176 HydrophobicContact CB-CG2 4Å; V153-T176 HydrophobicContact CG2-CG2 3.2Å; Y174-T176 PolarHBondContact O-N 3.04Å; T176-W182 HydrophobicContact CG2-CH2 4.38Å; T176-W182 HydrophobicContact CG2-CZ2 4.06Å; T176-W182 PolarHBondContact O-NE1 3.38Å; T176-R218 PolarHBondContact O-NH2 2.8Å
177G56.8Low60.8Low59 Ų5950.9 Ų50.961%0.60827%0.271SS*.THydrogen-bonded Turntrans-80.7-21.4174.200000113.3D175 P179D175-G177 PolarHBondContact O-N 3.15Å; D175-G177 VanDerWaalsContact OD1-CA 3.23Å; D175-G177 WeakPolarHBondContact OD1-CA 3.34Å; D175-G177 PolarHBondContact OD1-N 2.83Å; G177-P179 WeakPolarHBondContact O-CD 3.47Å
178D64.1Low61.2Low57 Ų5749.5 Ų49.531%0.30526%0.262SS..  trans-92.2112.6176.3-178.811.7000112.1D175 R180 S181 W182D175-D178 HydrophobicContact CB-CB 3.95Å; D175-D178 PolarHBondContact O-N 3.14Å; D175-D178 PolarHBondContact OD1-N 3.29Å; D175-D178 VanDerWaalsContact OD1-N 3.17Å; D178-R180 PolarHBondContact O-N 3.17Å; D178-R180 VanDerWaalsContact O-N 3.11Å; D178-R180 WeakPolarHBondContact OD1-CB 3.3Å; D178-R180 PolarHBondContact OD1-N 2.96Å; D178-S181 WeakPolarHBondContact O-CB 3.2Å; D178-S181 PolarHBondContact O-N 2.92Å; D178-S181 PolarHBondContact OD2-OG 3.13Å; D178-W182 VanDerWaalsContact O-CD1 3.31Å
179P63.9Low61.6Low95 Ų9548.7 Ų48.762%0.61726%0.256SS*.Hα-helixtrans-51.8-32172.4-26.936.7000114.2G177 S181 W182 D183G177-P179 WeakPolarHBondContact O-CD 3.47Å; P179-S181 VanDerWaalsContact C-N 3.34Å; P179-W182 WeakPolarHBondContact O-CB 3.32Å; P179-W182 PolarHBondContact O-N 3.22Å; P179-D183 PolarHBondContact O-N 3.03Å
180R68.1Low61.7Low200 Ų20052 Ų5276%0.75527%0.27SS*.Hα-helixtrans-73.1-28.7-179.3-62.2178.5175.8178.10.3112.7D178 W182 D183 K184D178-R180 PolarHBondContact O-N 3.17Å; D178-R180 VanDerWaalsContact O-N 3.11Å; D178-R180 WeakPolarHBondContact OD1-CB 3.3Å; D178-R180 PolarHBondContact OD1-N 2.96Å; R180-W182 PolarHBondContact O-N 2.76Å; R180-D183 PolarHBondContact O-N 2.83Å; R180-K184 WeakPolarHBondContact O-CB 3.38Å; R180-K184 PolarHBondContact O-N 2.63Å
181S65.2Low61.8Low17 Ų1756 Ų5612%0.11929%0.289CS..Hα-helixtrans-66.2-30.6175-74.20000111.1Y174 D175 D178 P179 K184 L185Y174-S181 WeakPolarHBondContact CD1-O 3.4Å; D175-S181 PolarHBondContact N-OG 3.47Å; D175-S181 WeakPolarHBondContact O-CB 3.32Å; D178-S181 WeakPolarHBondContact O-CB 3.2Å; D178-S181 PolarHBondContact O-N 2.92Å; D178-S181 PolarHBondContact OD2-OG 3.13Å; P179-S181 VanDerWaalsContact C-N 3.34Å; S181-K184 PolarHBondContact O-N 3.07Å; S181-L185 WeakPolarHBondContact O-CB 3.42Å; S181-L185 PolarHBondContact O-N 3.42Å
182W60.5Low61.6Low9 Ų954 Ų543%0.03429%0.285CS..Hα-helixtrans-68.5-41.7172.2-63.8100.7000113.1T176 D178 P179 R180 K184 L185 G186 L215 R218 N222T176-W182 HydrophobicContact CG2-CH2 4.38Å; T176-W182 HydrophobicContact CG2-CZ2 4.06Å; T176-W182 PolarHBondContact O-NE1 3.38Å; D178-W182 VanDerWaalsContact O-CD1 3.31Å; P179-W182 WeakPolarHBondContact O-CB 3.32Å; P179-W182 PolarHBondContact O-N 3.22Å; R180-W182 PolarHBondContact O-N 2.76Å; W182-K184 VanDerWaalsContact C-N 3.32Å; W182-L185 HydrophobicContact CE3-CD2 4.12Å; W182-L185 HydrophobicContact CZ3-CD2 4.09Å; W182-L185 PolarHBondContact O-N 3.17Å; W182-G186 PolarHBondContact O-N 2.83Å; W182-L215 HydrophobicContact CH2-CD1 3.47Å; W182-L215 VanDerWaalsContact CH2-CD1 3.47Å; W182-L215 HydrophobicContact CZ3-CD1 3.44Å; W182-L215 VanDerWaalsContact CZ3-CD1 3.44Å; W182-L215 HydrophobicContact CZ3-CG 4.48Å; W182-R218 HydrophobicContact CD2-CG 4.3Å; W182-R218 HydrophobicContact CE3-CG 4.39Å; W182-R218 HydrophobicContact CH2-CB 4.3Å; W182-R218 HydrophobicContact CH2-CG 4.16Å; W182-R218 HydrophobicContact CZ2-CG 4.05Å; W182-R218 HydrophobicContact CZ3-CB 4.31Å; W182-R218 HydrophobicContact CZ3-CG 4.33Å; W182-N222 HydrophobicContact CB-CB 4.07Å
183D63.3Low61.4Low61 Ų6152.7 Ų52.733%0.32628%0.279SS..Hα-helixtrans-63.3-41174.4-79.9-12.5000111.5P179 R180 G186 T187 K223P179-D183 PolarHBondContact O-N 3.03Å; R180-D183 PolarHBondContact O-N 2.83Å; D183-G186 PolarHBondContact O-N 2.84Å; D183-T187 PolarHBondContact O-N 2.95Å; D183-T187 PolarHBondContact O-OG1 2.76Å; D183-K223 WeakPolarHBondContact OD1-CD 3.43Å; D183-K223 WeakPolarHBondContact OD1-CE 3.14Å; D183-K223 IonicContact OD1-NZ 3.87Å; D183-K223 PolarHBondContact OD1-NZ 3.49Å; D183-K223 IonicContact OD2-NZ 3.26Å; D183-K223 PolarHBondContact OD2-NZ 3.02Å
184K67.2Low60.9Low88 Ų8853.6 Ų53.638%0.38329%0.288SS..Hα-helixtrans-61.7-49.5174.8-170.4-167.6166.2-165.10110.6D172 Y174 R180 S181 W182 G186 T187 D188D172-K184 IonicContact OD1-NZ 2.88Å; D172-K184 PolarHBondContact OD1-NZ 2.83Å; D172-K184 VanDerWaalsContact OD2-CE 3.22Å; D172-K184 WeakPolarHBondContact OD2-CE 3.1Å; D172-K184 IonicContact OD2-NZ 2.73Å; D172-K184 PolarHBondContact OD2-NZ 3.45Å; Y174-K184 HydrophobicContact CE1-CB 4.19Å; Y174-K184 HydrophobicContact CE1-CD 4.07Å; Y174-K184 HydrophobicContact CE1-CG 4.08Å; R180-K184 WeakPolarHBondContact O-CB 3.38Å; R180-K184 PolarHBondContact O-N 2.63Å; S181-K184 PolarHBondContact O-N 3.07Å; W182-K184 VanDerWaalsContact C-N 3.32Å; K184-G186 VanDerWaalsContact C-N 3.31Å; K184-G186 PolarHBondContact O-N 3.12Å; K184-T187 CarbonylContact O-C 3.39Å; K184-T187 WeakPolarHBondContact O-CA 3.31Å; K184-T187 WeakPolarHBondContact O-CB 2.94Å; K184-T187 PolarHBondContact O-N 2.99Å; K184-D188 WeakPolarHBondContact CE-OD2 3.48Å; K184-D188 WeakPolarHBondContact CG-OD2 2.98Å; K184-D188 VanDerWaalsContact O-CG 3.24Å; K184-D188 PolarHBondContact O-N 3.41Å
185L63.5Low60.2Low1 Ų157.5 Ų57.51%0.00531%0.312CS..Hα-helixtrans-55.5-45.9176.2175.860.2000111.8V155 Y174 S181 W182 T187 D188 M189V155-L185 HydrophobicContact CB-CD1 4.06Å; V155-L185 HydrophobicContact CG1-CD1 3.91Å; V155-L185 HydrophobicContact CG2-CD1 3.74Å; V155-L185 HydrophobicContact CG2-CD2 4.33Å; Y174-L185 HydrophobicContact CD1-CB 3.64Å; Y174-L185 HydrophobicContact CD2-CB 4.46Å; Y174-L185 HydrophobicContact CD2-CD1 3.98Å; Y174-L185 HydrophobicContact CE1-CB 3.53Å; Y174-L185 HydrophobicContact CE1-CD1 4.17Å; Y174-L185 HydrophobicContact CE1-CG 4.44Å; Y174-L185 VanDerWaalsContact CE1-N 3.28Å; Y174-L185 HydrophobicContact CE2-CB 4.37Å; Y174-L185 HydrophobicContact CE2-CD1 3.54Å; Y174-L185 HydrophobicContact CE2-CG 4.47Å; Y174-L185 HydrophobicContact CG-CB 4.06Å; Y174-L185 HydrophobicContact CG-CD1 4.43Å; S181-L185 WeakPolarHBondContact O-CB 3.42Å; S181-L185 PolarHBondContact O-N 3.42Å; W182-L185 HydrophobicContact CE3-CD2 4.12Å; W182-L185 HydrophobicContact CZ3-CD2 4.09Å; W182-L185 PolarHBondContact O-N 3.17Å; L185-T187 VanDerWaalsContact C-N 3.31Å; L185-T187 PolarHBondContact O-N 3.04Å; L185-D188 PolarHBondContact O-N 3.17Å; L185-M189 HydrophobicContact CD1-CG 3.87Å; L185-M189 HydrophobicContact CD1-SD 3.79Å; L185-M189 HydrophobicContact CD2-SD 4.49Å; L185-M189 HydrophobicContact CG-CG 4.35Å; L185-M189 HydrophobicContact CG-SD 3.85Å; L185-M189 VanDerWaalsContact O-CB 3.28Å; L185-M189 WeakPolarHBondContact O-CB 3.28Å; L185-M189 WeakPolarHBondContact O-CG 3.22Å; L185-M189 PolarHBondContact O-N 2.94Å
186G60.3Low59.6Low10 Ų1055 Ų5510%0.10330%0.3CS..Hα-helixtrans-59.1-42.2176.100000112.6W182 D183 K184 E190W182-G186 PolarHBondContact O-N 2.83Å; D183-G186 PolarHBondContact O-N 2.84Å; K184-G186 VanDerWaalsContact C-N 3.31Å; K184-G186 PolarHBondContact O-N 3.12Å; G186-E190 WeakPolarHBondContact O-CB 3.33Å; G186-E190 PolarHBondContact O-N 3Å
187T63.5Low59Low80 Ų8059.7 Ų59.749%0.49132%0.323SS..Hα-helixtrans-67.4-45.1178.1-53.40000111.9D183 K184 L185 E190 E191D183-T187 PolarHBondContact O-N 2.95Å; D183-T187 PolarHBondContact O-OG1 2.76Å; K184-T187 CarbonylContact O-C 3.39Å; K184-T187 WeakPolarHBondContact O-CA 3.31Å; K184-T187 WeakPolarHBondContact O-CB 2.94Å; K184-T187 PolarHBondContact O-N 2.99Å; L185-T187 VanDerWaalsContact C-N 3.31Å; L185-T187 PolarHBondContact O-N 3.04Å; T187-E190 CarbonylContact O-C 3.58Å; T187-E190 WeakPolarHBondContact O-CB 3.27Å; T187-E190 PolarHBondContact O-N 3.21Å; T187-E191 WeakPolarHBondContact O-CB 3.42Å; T187-E191 PolarHBondContact O-N 3.26Å
188D63.5Low58.4Low21 Ų2161.3 Ų61.311%0.11232%0.318CS..Hα-helixtrans-67.5-38.5-180-63.5-24.5000111.2F170 Y174 K184 L185 E191 A192F170-D188 HydrophobicContact CD2-CB 4.44Å; F170-D188 HydrophobicContact CE1-CB 3.86Å; F170-D188 HydrophobicContact CE2-CB 3.69Å; F170-D188 HydrophobicContact CZ-CB 3.37Å; F170-D188 VanDerWaalsContact CZ-CG 3.45Å; F170-D188 VanDerWaalsContact CZ-OD2 3.3Å; F170-D188 WeakPolarHBondContact CZ-OD2 3.39Å; Y174-D188 WeakPolarHBondContact CE1-OD2 3.29Å; Y174-D188 VanDerWaalsContact OH-CB 3.3Å; Y174-D188 WeakPolarHBondContact OH-CB 3.41Å; Y174-D188 PolarHBondContact OH-OD2 2.92Å; K184-D188 WeakPolarHBondContact CE-OD2 3.48Å; K184-D188 WeakPolarHBondContact CG-OD2 2.98Å; K184-D188 VanDerWaalsContact O-CG 3.24Å; K184-D188 PolarHBondContact O-N 3.41Å; L185-D188 PolarHBondContact O-N 3.17Å; D188-E191 PolarHBondContact O-N 2.85Å; D188-A192 VanDerWaalsContact O-CB 3.31Å; D188-A192 WeakPolarHBondContact O-CB 3.29Å; D188-A192 PolarHBondContact O-N 3.33Å
189M60.6Low57.7Low15 Ų1559.8 Ų59.87%0.07431%0.309CS..Hα-helixtrans-63.4-42.7171.1-73.1178.264.700111.3I138 L185 T193 F202 I224I138-M189 HydrophobicContact CD1-CE 3.7Å; I138-M189 HydrophobicContact CD1-SD 3.83Å; L185-M189 HydrophobicContact CD1-CG 3.87Å; L185-M189 HydrophobicContact CD1-SD 3.79Å; L185-M189 HydrophobicContact CD2-SD 4.49Å; L185-M189 HydrophobicContact CG-CG 4.35Å; L185-M189 HydrophobicContact CG-SD 3.85Å; L185-M189 VanDerWaalsContact O-CB 3.28Å; L185-M189 WeakPolarHBondContact O-CB 3.28Å; L185-M189 WeakPolarHBondContact O-CG 3.22Å; L185-M189 PolarHBondContact O-N 2.94Å; M189-T193 VanDerWaalsContact O-CB 3.25Å; M189-T193 WeakPolarHBondContact O-CB 3.35Å; M189-T193 WeakPolarHBondContact O-CG2 3.43Å; M189-T193 PolarHBondContact O-N 3.42Å; M189-T193 PolarHBondContact O-OG1 3.3Å; M189-F202 HydrophobicContact CE-CE1 3.63Å; M189-F202 HydrophobicContact CE-CE2 4.19Å; M189-F202 HydrophobicContact CE-CZ 3.17Å; M189-I224 HydrophobicContact CE-CD1 4.47Å
190E59.9Low57.1Low78 Ų7855.9 Ų55.936%0.36428%0.283SS..Hα-helixtrans-59.9-48.2173.1-174.1172.7-164.100110.3G186 T187 A192 T193 L194G186-E190 WeakPolarHBondContact O-CB 3.33Å; G186-E190 PolarHBondContact O-N 3Å; T187-E190 CarbonylContact O-C 3.58Å; T187-E190 WeakPolarHBondContact O-CB 3.27Å; T187-E190 PolarHBondContact O-N 3.21Å; E190-A192 PolarHBondContact O-N 2.97Å; E190-T193 WeakPolarHBondContact CA-OG1 3.32Å; E190-T193 CarbonylContact O-C 3.53Å; E190-T193 WeakPolarHBondContact O-CA 3.44Å; E190-T193 PolarHBondContact O-N 3.41Å; E190-T193 PolarHBondContact O-OG1 3.43Å; E190-T193 VanDerWaalsContact O-OG1 3.04Å; E190-L194 WeakPolarHBondContact O-CG 3.39Å; E190-L194 PolarHBondContact O-N 3Å
191E58.9Low56.5Low131 Ų13146.4 Ų46.461%0.61225%0.247SC*.Hα-helixtrans-62.6-45.9-179.3-175.8169.1-171.800112.9T187 D188 T193 L194T187-E191 WeakPolarHBondContact O-CB 3.42Å; T187-E191 PolarHBondContact O-N 3.26Å; D188-E191 PolarHBondContact O-N 2.85Å; E191-T193 PolarHBondContact O-N 3.46Å; E191-L194 WeakPolarHBondContact O-CB 3.42Å; E191-L194 PolarHBondContact O-N 3Å
192A54.7Low56.1Low17 Ų1745.7 Ų45.714%0.1424%0.242CC..Hα-helixtrans-58.2-38.8174.100000110.8Y136 V157 D188 E190 T195Y136-A192 HydrophobicContact CE1-CB 4.14Å; Y136-A192 PolarHBondContact OH-O 3.14Å; V157-A192 HydrophobicContact CG1-CB 3.49Å; V157-A192 VanDerWaalsContact CG1-CB 3.49Å; D188-A192 VanDerWaalsContact O-CB 3.31Å; D188-A192 WeakPolarHBondContact O-CB 3.29Å; D188-A192 PolarHBondContact O-N 3.33Å; E190-A192 PolarHBondContact O-N 2.97Å; A192-T195 PolarHBondContact O-OG1 3.48Å
193T52.8Low56.1Low11 Ų1145.2 Ų45.27%0.06724%0.24CC..Hα-helixtrans-89.2-5.5-175.964.10000114.6Y136 M189 E190 E191 T195 C196 I200Y136-T193 HydrophobicContact CD2-CG2 4.05Å; Y136-T193 HydrophobicContact CE1-CG2 4.33Å; Y136-T193 HydrophobicContact CE2-CG2 3.98Å; Y136-T193 HydrophobicContact CG-CG2 4.3Å; M189-T193 VanDerWaalsContact O-CB 3.25Å; M189-T193 WeakPolarHBondContact O-CB 3.35Å; M189-T193 WeakPolarHBondContact O-CG2 3.43Å; M189-T193 PolarHBondContact O-N 3.42Å; M189-T193 PolarHBondContact O-OG1 3.3Å; E190-T193 WeakPolarHBondContact CA-OG1 3.32Å; E190-T193 CarbonylContact O-C 3.53Å; E190-T193 WeakPolarHBondContact O-CA 3.44Å; E190-T193 PolarHBondContact O-N 3.41Å; E190-T193 PolarHBondContact O-OG1 3.43Å; E190-T193 VanDerWaalsContact O-OG1 3.04Å; E191-T193 PolarHBondContact O-N 3.46Å; T193-T195 PolarHBondContact O-N 3.49Å; T193-T195 VanDerWaalsContact O-N 3.14Å; T193-C196 WeakPolarHBondContact CA-SG 3.28Å; T193-C196 WeakPolarHBondContact CB-SG 3.44Å; T193-C196 WeakPolarHBondContact O-CA 3.23Å; T193-C196 WeakPolarHBondContact O-CB 3.27Å; T193-C196 PolarHBondContact O-N 3.26Å; T193-C196 PolarHBondContact O-SG 3.01Å; T193-I200 HydrophobicContact CG2-CD1 3.41Å; T193-I200 VanDerWaalsContact CG2-CD1 3.41Å; T193-I200 HydrophobicContact CG2-CG1 3.66Å; T193-I200 HydrophobicContact CG2-CG2 4.46Å
194L52Low55.9Low94 Ų9442.4 Ų42.449%0.49223%0.225SC..THydrogen-bonded Turntrans-62.5-20.8172-80.5174.3000112.5E190 E191 C196E190-L194 WeakPolarHBondContact O-CG 3.39Å; E190-L194 PolarHBondContact O-N 3Å; E191-L194 WeakPolarHBondContact O-CB 3.42Å; E191-L194 PolarHBondContact O-N 3Å; L194-C196 VanDerWaalsContact C-N 3.31Å
195T47.3Very low55.3Low84 Ų8439 Ų3952%0.51521%0.212SC..THydrogen-bonded Turntrans-83.9-8.8172.767.40000112.8Q134 A192 T193Q134-T195 PolarHBondContact NE2-O 3.12Å; Q134-T195 PolarHBondContact OE1-O 3.34Å; A192-T195 PolarHBondContact O-OG1 3.48Å; T193-T195 PolarHBondContact O-N 3.49Å; T193-T195 VanDerWaalsContact O-N 3.14Å
196C47.9Very low54.7Low16 Ų1642.8 Ų42.811%0.10823%0.229CC..  trans-67.6129.3177.7-59.50000112.2Q134 Y136 T193 L194 F230Q134-C196 PolarHBondContact OE1-SG 3.22Å; Y136-C196 WeakPolarHBondContact CE2-SG 3.16Å; Y136-C196 PolarHBondContact OH-SG 3.25Å; T193-C196 WeakPolarHBondContact CA-SG 3.28Å; T193-C196 WeakPolarHBondContact CB-SG 3.44Å; T193-C196 WeakPolarHBondContact O-CA 3.23Å; T193-C196 WeakPolarHBondContact O-CB 3.27Å; T193-C196 PolarHBondContact O-N 3.26Å; T193-C196 PolarHBondContact O-SG 3.01Å; L194-C196 VanDerWaalsContact C-N 3.31Å; C196-F230 HydrophobicContact CB-CE1 4.31Å; C196-F230 HydrophobicContact CB-CZ 4.32Å
197I45.8Very low54.1Low109 Ų10949.5 Ų49.556%0.55926%0.261SS*.SBendtrans-78.5-38.8172.1-54-177.1000109.3V131V131-I197 HydrophobicContact CG1-CB 4.45Å; V131-I197 HydrophobicContact CG2-CD1 4.44Å
198N44.5Very low53.7Low94 Ų9447.6 Ų47.650%0.50325%0.247SC..SBendtrans-150.5-26.4-169.5-67.1-53.2000119.1F230N198-F230 WeakPolarHBondContact O-CD1 3.27Å
199E49.5Very low53.1Low25 Ų2547.8 Ų47.812%0.11725%0.247CC..  trans-155.6155-171.6-66.2-171.7178.300114.5
200I50.6Low52.7Low13 Ų1351.5 Ų51.57%0.06727%0.27CS..EExtended strand (participates in β ladder)trans-124.5114178.3-56.8164.6000108.6Y136 T193 F202 F230 K233Y136-I200 HydrophobicContact CD2-CB 4.42Å; Y136-I200 HydrophobicContact CD2-CG1 4.31Å; Y136-I200 HydrophobicContact CD2-CG2 3.97Å; Y136-I200 HydrophobicContact CG-CG2 4.34Å; T193-I200 HydrophobicContact CG2-CD1 3.41Å; T193-I200 VanDerWaalsContact CG2-CD1 3.41Å; T193-I200 HydrophobicContact CG2-CG1 3.66Å; T193-I200 HydrophobicContact CG2-CG2 4.46Å; I200-F202 HydrophobicContact CG2-CE1 3.86Å; I200-F202 HydrophobicContact CG2-CE2 4Å; I200-F202 HydrophobicContact CG2-CZ 3.53Å; I200-F230 HydrophobicContact CD1-CB 4.36Å; I200-F230 HydrophobicContact CD1-CD2 4.03Å; I200-F230 HydrophobicContact CD1-CG 4.23Å; I200-K233 PolarHBondContact O-N 2.84Å
201N55.4Low52.3Low0 Ų048.7 Ų48.70%026%0.26CS..EExtended strand (participates in β ladder)trans-107.3117.4174.1-65.9-65.8000109.6Y136 I235Y136-N201 CarbonylContact C-O 3.58Å; Y136-N201 PolarHBondContact N-O 3.14Å; Y136-N201 VanDerWaalsContact N-O 3.07Å; N201-I235 HydrophobicContact CB-CD1 4.23Å
202F57.3Low52.3Low2 Ų242.7 Ų42.71%0.00923%0.232CC..EExtended strand (participates in β ladder)trans-84.4122.3172.2-67.3-58.4000110.7Y136 I138 M189 I200 F212 I216 V232 K233 V234 I235Y136-F202 WeakPolarHBondContact O-CA 3.38Å; Y136-F202 WeakPolarHBondContact O-CD1 3.49Å; I138-F202 HydrophobicContact CB-CD1 4.08Å; I138-F202 HydrophobicContact CD1-CD1 3.47Å; I138-F202 VanDerWaalsContact CD1-CD1 3.47Å; I138-F202 HydrophobicContact CD1-CE1 3.13Å; I138-F202 HydrophobicContact CD1-CZ 3.96Å; I138-F202 HydrophobicContact CG1-CD1 3.51Å; I138-F202 HydrophobicContact CG1-CE1 3.55Å; M189-F202 HydrophobicContact CE-CE1 3.63Å; M189-F202 HydrophobicContact CE-CE2 4.19Å; M189-F202 HydrophobicContact CE-CZ 3.17Å; I200-F202 HydrophobicContact CG2-CE1 3.86Å; I200-F202 HydrophobicContact CG2-CE2 4Å; I200-F202 HydrophobicContact CG2-CZ 3.53Å; F202-F212 HydrophobicContact CB-CE1 3.83Å; F202-F212 HydrophobicContact CB-CZ 3.67Å; F202-F212 HydrophobicContact CD1-CZ 4.24Å; F202-F212 HydrophobicContact CG-CE1 4.33Å; F202-F212 AromaticContact CG-CZ 3.95Å; F202-F212 HydrophobicContact CG-CZ 3.95Å; F202-I216 HydrophobicContact CD1-CD1 4.46Å; F202-I216 HydrophobicContact CD2-CD1 3.84Å; F202-I216 HydrophobicContact CE2-CD1 3.91Å; F202-I216 HydrophobicContact CG-CD1 4.16Å; F202-I216 HydrophobicContact CZ-CD1 4.31Å; F202-V232 HydrophobicContact CD2-CG1 3.48Å; F202-V232 VanDerWaalsContact CD2-CG1 3.48Å; F202-V232 HydrophobicContact CE2-CB 4.37Å; F202-V232 HydrophobicContact CE2-CG1 3.37Å; F202-V232 HydrophobicContact CE2-CG2 4.18Å; F202-K233 PolarHBondContact N-O 2.89Å; F202-V234 HydrophobicContact CB-CG2 4.25Å; F202-V234 HydrophobicContact CD2-CG2 4.46Å; F202-V234 WeakPolarHBondContact O-CA 3.32Å; F202-I235 PolarHBondContact O-N 3.11Å
203L58.9Low52.3Low0 Ų043.1 Ų43.10%023%0.231CC..EExtended strand (participates in β ladder)trans-98.1130.9175.3-56.1-175.5000110.5I135 Y137 I235 A237 F240 F298I135-L203 HydrophobicContact CD1-CD1 4.46Å; I135-L203 HydrophobicContact CG2-CD1 3.39Å; I135-L203 HydrophobicContact CG2-CD2 4.39Å; I135-L203 HydrophobicContact CG2-CG 3.6Å; Y137-L203 HydrophobicContact CD2-CB 3.99Å; Y137-L203 WeakPolarHBondContact CD2-O 3.34Å; Y137-L203 WeakPolarHBondContact CE2-O 3.43Å; L203-I235 VanDerWaalsContact CA-O 3.3Å; L203-I235 WeakPolarHBondContact CA-O 3.29Å; L203-I235 HydrophobicContact CD2-CB 3.89Å; L203-I235 HydrophobicContact CD2-CG2 4.25Å; L203-A237 HydrophobicContact CB-CB 4.31Å; L203-F240 HydrophobicContact CD1-CB 4.05Å; L203-F240 HydrophobicContact CD1-CD1 3.74Å; L203-F240 HydrophobicContact CD1-CD2 4.32Å; L203-F240 HydrophobicContact CD1-CE1 4.49Å; L203-F240 HydrophobicContact CD1-CG 3.68Å; L203-F240 HydrophobicContact CD2-CB 3.59Å; L203-F240 HydrophobicContact CD2-CD2 4.16Å; L203-F240 HydrophobicContact CD2-CG 3.85Å; L203-F240 HydrophobicContact CG-CB 4.5Å; L203-F240 HydrophobicContact CG-CG 4.45Å; L203-F298 HydrophobicContact CB-CE2 4.49Å; L203-F298 HydrophobicContact CD1-CD2 4.32Å; L203-F298 HydrophobicContact CD1-CE1 4.06Å; L203-F298 HydrophobicContact CD1-CE2 3.22Å; L203-F298 HydrophobicContact CD1-CZ 3.07Å; L203-F298 HydrophobicContact CG-CE2 4.48Å
204V59.4Low52.6Low1 Ų149.3 Ų49.31%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-125.2131.1-175.2-168.60000110.1F206 F212 V234 I235 A237V204-F206 PolarHBondContact O-N 3.34Å; V204-F212 HydrophobicContact CB-CD1 4.33Å; V204-F212 HydrophobicContact CB-CG 4.34Å; V204-F212 HydrophobicContact CG1-CB 3.68Å; V204-F212 HydrophobicContact CG1-CD1 4.18Å; V204-F212 HydrophobicContact CG1-CD2 4.27Å; V204-F212 HydrophobicContact CG1-CG 3.77Å; V204-F212 HydrophobicContact CG2-CB 4.27Å; V204-F212 HydrophobicContact CG2-CD1 3.17Å; V204-F212 HydrophobicContact CG2-CD2 4Å; V204-F212 HydrophobicContact CG2-CE1 3.3Å; V204-F212 HydrophobicContact CG2-CE2 4.12Å; V204-F212 HydrophobicContact CG2-CG 3.53Å; V204-F212 HydrophobicContact CG2-CZ 3.82Å; V204-V234 HydrophobicContact CG2-CG1 3.48Å; V204-V234 VanDerWaalsContact CG2-CG1 3.48Å; V204-I235 PolarHBondContact N-O 3.34Å; V204-A237 PolarHBondContact O-N 3.46Å
205P55.5Low52.9Low17 Ų1744.9 Ų44.911%0.1123%0.234CC..  trans-61.5133.4165.716.8-23.1000110.3I207 N208 F294P205-I207 PolarHBondContact O-N 3.11Å; P205-N208 HydrophobicContact CG-CB 4.4Å; P205-N208 PolarHBondContact O-N 3.21Å; P205-F294 HydrophobicContact CB-CD2 4.12Å; P205-F294 HydrophobicContact CB-CE2 3.51Å; P205-F294 HydrophobicContact CB-CZ 3.96Å; P205-F294 HydrophobicContact CG-CD2 4.2Å; P205-F294 HydrophobicContact CG-CE2 3.92Å; P205-F294 HydrophobicContact CG-CZ 4.18Å
206F50.7Low53.4Low81 Ų8141 Ų4136%0.35521%0.21SC..G310 helixtrans-48-33.7-179.8-173.5-102.7000114I105 V204 N208 Y236I105-F206 HydrophobicContact CD1-CE2 3.9Å; I105-F206 HydrophobicContact CD1-CZ 3.77Å; I105-F206 HydrophobicContact CG2-CE2 3.73Å; I105-F206 HydrophobicContact CG2-CZ 4.29Å; V204-F206 PolarHBondContact O-N 3.34Å; F206-N208 VanDerWaalsContact C-N 3.32Å; F206-N208 PolarHBondContact O-N 2.88Å; F206-Y236 HydrophobicContact CB-CD1 4.29Å; F206-Y236 HydrophobicContact CB-CE1 4.46Å; F206-Y236 AromaticContact CD2-CD1 3.85Å; F206-Y236 HydrophobicContact CD2-CD1 3.85Å; F206-Y236 AromaticContact CD2-CE1 3.49Å; F206-Y236 HydrophobicContact CD2-CE1 3.49Å; F206-Y236 VanDerWaalsContact CD2-CE1 3.49Å; F206-Y236 AromaticContact CD2-CZ 3.99Å; F206-Y236 HydrophobicContact CE2-CE1 4.15Å; F206-Y236 HydrophobicContact CG-CE1 4.39Å
207I47.4Very low54Low150 Ų15044.7 Ų44.777%0.76922%0.224SC*.G310 helixtrans-67.9-26.1-176-59.6171.9000112.9P205P205-I207 PolarHBondContact O-N 3.11Å
208N55.3Low54.5Low40 Ų4045.6 Ų45.621%0.21422%0.221CC..G310 helixtrans-115.316.6-172-72.5-8.3000114.4G140 P205 F206 V210 A211 F212G140-N208 PolarHBondContact O-ND2 3.27Å; P205-N208 HydrophobicContact CG-CB 4.4Å; P205-N208 PolarHBondContact O-N 3.21Å; F206-N208 VanDerWaalsContact C-N 3.32Å; F206-N208 PolarHBondContact O-N 2.88Å; N208-V210 PolarHBondContact O-N 3.16Å; N208-A211 PolarHBondContact O-N 3.08Å; N208-F212 WeakPolarHBondContact O-CB 3.24Å; N208-F212 PolarHBondContact O-N 3.17Å
209Y51.7Low55Low26 Ų2641.4 Ų41.410%0.10220%0.199CC..Hα-helixtrans-54.2-49.7-172.8-177.9-91.1000114.3I98 P99 A211 F212 E213 V234 Y236I98-Y209 HydrophobicContact CG2-CE1 4.43Å; P99-Y209 HydrophobicContact CG-CE1 4.37Å; Y209-A211 VanDerWaalsContact C-N 3.29Å; Y209-A211 PolarHBondContact O-N 2.82Å; Y209-F212 WeakPolarHBondContact O-CB 3.04Å; Y209-F212 PolarHBondContact O-N 3.33Å; Y209-E213 WeakPolarHBondContact O-CB 3.48Å; Y209-E213 PolarHBondContact O-N 3.07Å; Y209-V234 HydrophobicContact CE2-CG1 4.31Å; Y209-Y236 AromaticContact CD2-CE1 3.6Å; Y209-Y236 HydrophobicContact CD2-CE1 3.6Å; Y209-Y236 AromaticContact CD2-CZ 3.69Å; Y209-Y236 WeakPolarHBondContact CD2-OH 3.32Å; Y209-Y236 HydrophobicContact CE2-CE1 4.33Å; Y209-Y236 HydrophobicContact CG-CE1 4.16Å
210V50.6Low55.2Low92 Ų9243.1 Ų43.156%0.55821%0.207SC*.Hα-helixtrans-63.7-36.5-176.5176.40000111.9N208 K214N208-V210 PolarHBondContact O-N 3.16Å; V210-K214 WeakPolarHBondContact O-CG 3.4Å; V210-K214 PolarHBondContact O-N 3.05Å
211A53.3Low55.4Low20 Ų2046.4 Ų46.417%0.16524%0.236CC..Hα-helixtrans-74-39.7-179.200000110.8W142 N208 Y209 K214 L215W142-A211 HydrophobicContact CB-CB 4.31Å; W142-A211 VanDerWaalsContact CD1-CB 3.4Å; W142-A211 HydrophobicContact CD2-CB 3.49Å; W142-A211 VanDerWaalsContact CD2-CB 3.49Å; W142-A211 VanDerWaalsContact CE2-CB 3.47Å; W142-A211 HydrophobicContact CE3-CB 4.22Å; W142-A211 HydrophobicContact CG-CB 3.48Å; W142-A211 VanDerWaalsContact CG-CB 3.48Å; W142-A211 HydrophobicContact CZ2-CB 4.2Å; W142-A211 VanDerWaalsContact CZ2-O 3.26Å; W142-A211 WeakPolarHBondContact CZ2-O 3.44Å; N208-A211 PolarHBondContact O-N 3.08Å; Y209-A211 VanDerWaalsContact C-N 3.29Å; Y209-A211 PolarHBondContact O-N 2.82Å; A211-K214 PolarHBondContact O-N 3.13Å; A211-L215 PolarHBondContact O-N 3.33Å
212F57Low55.1Low4 Ų449.2 Ų49.22%0.01825%0.251CS..Hα-helixtrans-63.9-39.7171.8-169.2-94000113.6I138 F202 V204 N208 Y209 K214 L215 I216 V234I138-F212 HydrophobicContact CB-CE2 3.5Å; I138-F212 HydrophobicContact CB-CZ 3.85Å; I138-F212 HydrophobicContact CG2-CD2 4.37Å; I138-F212 HydrophobicContact CG2-CE2 3.45Å; I138-F212 VanDerWaalsContact CG2-CE2 3.45Å; I138-F212 HydrophobicContact CG2-CZ 4.18Å; I138-F212 WeakPolarHBondContact O-CE2 3.43Å; F202-F212 HydrophobicContact CB-CE1 3.83Å; F202-F212 HydrophobicContact CB-CZ 3.67Å; F202-F212 HydrophobicContact CD1-CZ 4.24Å; F202-F212 HydrophobicContact CG-CE1 4.33Å; F202-F212 AromaticContact CG-CZ 3.95Å; F202-F212 HydrophobicContact CG-CZ 3.95Å; V204-F212 HydrophobicContact CB-CD1 4.33Å; V204-F212 HydrophobicContact CB-CG 4.34Å; V204-F212 HydrophobicContact CG1-CB 3.68Å; V204-F212 HydrophobicContact CG1-CD1 4.18Å; V204-F212 HydrophobicContact CG1-CD2 4.27Å; V204-F212 HydrophobicContact CG1-CG 3.77Å; V204-F212 HydrophobicContact CG2-CB 4.27Å; V204-F212 HydrophobicContact CG2-CD1 3.17Å; V204-F212 HydrophobicContact CG2-CD2 4Å; V204-F212 HydrophobicContact CG2-CE1 3.3Å; V204-F212 HydrophobicContact CG2-CE2 4.12Å; V204-F212 HydrophobicContact CG2-CG 3.53Å; V204-F212 HydrophobicContact CG2-CZ 3.82Å; N208-F212 WeakPolarHBondContact O-CB 3.24Å; N208-F212 PolarHBondContact O-N 3.17Å; Y209-F212 WeakPolarHBondContact O-CB 3.04Å; Y209-F212 PolarHBondContact O-N 3.33Å; F212-K214 VanDerWaalsContact C-N 3.31Å; F212-K214 PolarHBondContact O-N 3Å; F212-L215 HydrophobicContact CD2-CD2 4.23Å; F212-L215 HydrophobicContact CE2-CD2 4.27Å; F212-L215 WeakPolarHBondContact O-CA 3.49Å; F212-L215 VanDerWaalsContact O-CB 3.24Å; F212-L215 WeakPolarHBondContact O-CB 3.42Å; F212-L215 PolarHBondContact O-N 3.15Å; F212-L215 VanDerWaalsContact O-N 3.11Å; F212-I216 HydrophobicContact CD1-CG1 3.76Å; F212-I216 HydrophobicContact CE1-CD1 3.84Å; F212-I216 HydrophobicContact CE1-CG1 3.23Å; F212-I216 HydrophobicContact CE2-CD1 4.47Å; F212-I216 HydrophobicContact CE2-CG1 4.4Å; F212-I216 HydrophobicContact CZ-CD1 3.67Å; F212-I216 HydrophobicContact CZ-CG1 3.59Å; F212-I216 PolarHBondContact O-N 3.19Å; F212-V234 HydrophobicContact CD1-CG1 4.05Å; F212-V234 HydrophobicContact CE1-CG1 3.95Å; F212-V234 HydrophobicContact CE1-CG2 4Å
213E56.3Low54.7Low27 Ų2755.4 Ų55.413%0.12628%0.278CS..Hα-helixtrans-61-43.3176.7-169.3-159.3148.400110.9L96 I98 Y209 L215 K217L96-E213 HydrophobicContact CD1-CG 4.21Å; I98-E213 HydrophobicContact CD1-CG 4.42Å; I98-E213 WeakPolarHBondContact CD1-OE1 3.12Å; I98-E213 HydrophobicContact CG1-CG 4.44Å; Y209-E213 WeakPolarHBondContact O-CB 3.48Å; Y209-E213 PolarHBondContact O-N 3.07Å; E213-L215 VanDerWaalsContact C-N 3.31Å; E213-L215 PolarHBondContact O-N 3.33Å; E213-K217 HydrophobicContact CG-CD 4.28Å; E213-K217 VanDerWaalsContact O-CB 3.32Å; E213-K217 WeakPolarHBondContact O-CB 3.1Å; E213-K217 VanDerWaalsContact O-CG 3.27Å; E213-K217 WeakPolarHBondContact O-CG 3.11Å; E213-K217 PolarHBondContact O-N 3.22Å; E213-K217 WeakPolarHBondContact OE1-CE 3.38Å; E213-K217 IonicContact OE1-NZ 3.3Å; E213-K217 PolarHBondContact OE1-NZ 2.96Å
214K57.4Low54.2Low140 Ų14057 Ų5761%0.60929%0.286SS*.Hα-helixtrans-62-39.6173.4-71.5176.7-178.7179.60111.5V210 A211 F212 R218V210-K214 WeakPolarHBondContact O-CG 3.4Å; V210-K214 PolarHBondContact O-N 3.05Å; A211-K214 PolarHBondContact O-N 3.13Å; F212-K214 VanDerWaalsContact C-N 3.31Å; F212-K214 PolarHBondContact O-N 3Å; K214-R218 VanDerWaalsContact O-CB 3.22Å; K214-R218 WeakPolarHBondContact O-CB 3.46Å; K214-R218 PolarHBondContact O-N 3.17Å
215L58.9Low53.4Low2 Ų259 Ų591%0.0130%0.299CS..Hα-helixtrans-59.8-55.2176.3-17568.4000111.9I138 W142 V153 V155 W182 A211 F212 E213 K217 R218 A219I138-L215 HydrophobicContact CG2-CD2 3.82Å; W142-L215 HydrophobicContact CZ2-CB 4.01Å; W142-L215 HydrophobicContact CZ2-CD1 4.28Å; V153-L215 HydrophobicContact CB-CD1 4.15Å; V153-L215 HydrophobicContact CG1-CD1 3.67Å; V153-L215 HydrophobicContact CG1-CD2 3.79Å; V153-L215 HydrophobicContact CG1-CG 4.4Å; V153-L215 HydrophobicContact CG2-CD1 3.82Å; V155-L215 HydrophobicContact CG2-CD2 4.49Å; W182-L215 HydrophobicContact CH2-CD1 3.47Å; W182-L215 VanDerWaalsContact CH2-CD1 3.47Å; W182-L215 HydrophobicContact CZ3-CD1 3.44Å; W182-L215 VanDerWaalsContact CZ3-CD1 3.44Å; W182-L215 HydrophobicContact CZ3-CG 4.48Å; A211-L215 PolarHBondContact O-N 3.33Å; F212-L215 HydrophobicContact CD2-CD2 4.23Å; F212-L215 HydrophobicContact CE2-CD2 4.27Å; F212-L215 WeakPolarHBondContact O-CA 3.49Å; F212-L215 VanDerWaalsContact O-CB 3.24Å; F212-L215 WeakPolarHBondContact O-CB 3.42Å; F212-L215 PolarHBondContact O-N 3.15Å; F212-L215 VanDerWaalsContact O-N 3.11Å; E213-L215 VanDerWaalsContact C-N 3.31Å; E213-L215 PolarHBondContact O-N 3.33Å; L215-K217 PolarHBondContact O-N 3.27Å; L215-R218 PolarHBondContact O-N 2.79Å; L215-R218 VanDerWaalsContact O-N 3.14Å; L215-A219 WeakPolarHBondContact O-CB 3.18Å; L215-A219 PolarHBondContact O-N 3.36Å
216I58.6Low52.8Low1 Ų164.9 Ų64.91%0.00534%0.335CS..Hα-helixtrans-63.9-42.1-178.4-67.5-59.9000110.6I138 F202 F212 R218 A219 Q220I138-I216 HydrophobicContact CD1-CD1 4.26Å; F202-I216 HydrophobicContact CD1-CD1 4.46Å; F202-I216 HydrophobicContact CD2-CD1 3.84Å; F202-I216 HydrophobicContact CE2-CD1 3.91Å; F202-I216 HydrophobicContact CG-CD1 4.16Å; F202-I216 HydrophobicContact CZ-CD1 4.31Å; F212-I216 HydrophobicContact CD1-CG1 3.76Å; F212-I216 HydrophobicContact CE1-CD1 3.84Å; F212-I216 HydrophobicContact CE1-CG1 3.23Å; F212-I216 HydrophobicContact CE2-CD1 4.47Å; F212-I216 HydrophobicContact CE2-CG1 4.4Å; F212-I216 HydrophobicContact CZ-CD1 3.67Å; F212-I216 HydrophobicContact CZ-CG1 3.59Å; F212-I216 PolarHBondContact O-N 3.19Å; I216-R218 VanDerWaalsContact C-N 3.27Å; I216-R218 PolarHBondContact O-N 3.4Å; I216-A219 PolarHBondContact O-N 3.14Å; I216-Q220 HydrophobicContact CG2-CG 4.19Å; I216-Q220 VanDerWaalsContact O-CB 3.23Å; I216-Q220 WeakPolarHBondContact O-CB 3.49Å; I216-Q220 WeakPolarHBondContact O-CG 3.37Å; I216-Q220 PolarHBondContact O-N 2.97Å
217K60.5Low52.1Low94 Ų9467.9 Ų67.941%0.40936%0.355SS..Hα-helixtrans-60.2-38.3174.8-77.2176.2171.3177.80112.3E213 L215 A221E213-K217 HydrophobicContact CG-CD 4.28Å; E213-K217 VanDerWaalsContact O-CB 3.32Å; E213-K217 WeakPolarHBondContact O-CB 3.1Å; E213-K217 VanDerWaalsContact O-CG 3.27Å; E213-K217 WeakPolarHBondContact O-CG 3.11Å; E213-K217 PolarHBondContact O-N 3.22Å; E213-K217 WeakPolarHBondContact OE1-CE 3.38Å; E213-K217 IonicContact OE1-NZ 3.3Å; E213-K217 PolarHBondContact OE1-NZ 2.96Å; L215-K217 PolarHBondContact O-N 3.27Å; K217-A221 WeakPolarHBondContact O-CB 3.29Å; K217-A221 PolarHBondContact O-N 3.46Å
218R56.7Low51.8Low129 Ų12963.2 Ų63.249%0.48733%0.333SS..Hα-helixtrans-74.7-41.1179.3-165.9163.2179.3163.8-3.6112T176 W182 K214 L215 I216 Q220 A221 N222T176-R218 PolarHBondContact O-NH2 2.8Å; W182-R218 HydrophobicContact CD2-CG 4.3Å; W182-R218 HydrophobicContact CE3-CG 4.39Å; W182-R218 HydrophobicContact CH2-CB 4.3Å; W182-R218 HydrophobicContact CH2-CG 4.16Å; W182-R218 HydrophobicContact CZ2-CG 4.05Å; W182-R218 HydrophobicContact CZ3-CB 4.31Å; W182-R218 HydrophobicContact CZ3-CG 4.33Å; K214-R218 VanDerWaalsContact O-CB 3.22Å; K214-R218 WeakPolarHBondContact O-CB 3.46Å; K214-R218 PolarHBondContact O-N 3.17Å; L215-R218 PolarHBondContact O-N 2.79Å; L215-R218 VanDerWaalsContact O-N 3.14Å; I216-R218 VanDerWaalsContact C-N 3.27Å; I216-R218 PolarHBondContact O-N 3.4Å; R218-Q220 VanDerWaalsContact C-N 3.34Å; R218-A221 PolarHBondContact O-N 2.95Å; R218-N222 VanDerWaalsContact O-CB 3.31Å; R218-N222 WeakPolarHBondContact O-CB 3.31Å; R218-N222 PolarHBondContact O-N 2.91Å; R218-N222 PolarHBondContact O-ND2 2.79Å
219A53.1Low50.9Low5 Ų563.5 Ų63.54%0.04135%0.346CS..Hα-helixtrans-61.3-42.3170.900000111.4L215 I216 N222 K223 I224L215-A219 WeakPolarHBondContact O-CB 3.18Å; L215-A219 PolarHBondContact O-N 3.36Å; I216-A219 PolarHBondContact O-N 3.14Å; A219-N222 CarbonylContact O-C 3.42Å; A219-N222 PolarHBondContact O-N 3.2Å; A219-N222 VanDerWaalsContact O-N 3.13Å; A219-K223 PolarHBondContact O-N 3.06Å; A219-I224 HydrophobicContact CB-CD1 4.34Å; A219-I224 HydrophobicContact CB-CG1 4.36Å; A219-I224 PolarHBondContact O-N 3.3Å
220Q54.1Low50.4Low61 Ų6164.8 Ų64.829%0.28535%0.352SS..Hα-helixtrans-59.5-46.4174.3-78.2172.5-12.800112I216 R218 N222 I224I216-Q220 HydrophobicContact CG2-CG 4.19Å; I216-Q220 VanDerWaalsContact O-CB 3.23Å; I216-Q220 WeakPolarHBondContact O-CB 3.49Å; I216-Q220 WeakPolarHBondContact O-CG 3.37Å; I216-Q220 PolarHBondContact O-N 2.97Å; R218-Q220 VanDerWaalsContact C-N 3.34Å; Q220-N222 PolarHBondContact O-N 3.35Å; Q220-I224 HydrophobicContact CB-CD1 4.49Å; Q220-I224 HydrophobicContact CG-CD1 3.62Å; Q220-I224 HydrophobicContact CG-CG1 4.26Å
221A55.8Low50.2Low82 Ų8260.7 Ų60.768%0.67833%0.328SS*.Hα-helixtrans-63.4-28.6176.900000112.5K217 R218K217-A221 WeakPolarHBondContact O-CB 3.29Å; K217-A221 PolarHBondContact O-N 3.46Å; R218-A221 PolarHBondContact O-N 2.95Å
222N48.9Very low50Low59 Ų5960.7 Ų60.732%0.31633%0.326SS..THydrogen-bonded Turntrans-107.625.3-172.5-67.6-24.3000114.5W182 R218 A219 Q220W182-N222 HydrophobicContact CB-CB 4.07Å; R218-N222 VanDerWaalsContact O-CB 3.31Å; R218-N222 WeakPolarHBondContact O-CB 3.31Å; R218-N222 PolarHBondContact O-N 2.91Å; R218-N222 PolarHBondContact O-ND2 2.79Å; A219-N222 CarbonylContact O-C 3.42Å; A219-N222 PolarHBondContact O-N 3.2Å; A219-N222 VanDerWaalsContact O-N 3.13Å; Q220-N222 PolarHBondContact O-N 3.35Å
223K49.6Very low50.1Low132 Ų13262.1 Ų62.157%0.57433%0.332SS*.THydrogen-bonded Turntrans98.855.5175.2-49.8156.1-176.81640116.5D183 A219 P225D183-K223 WeakPolarHBondContact OD1-CD 3.43Å; D183-K223 WeakPolarHBondContact OD1-CE 3.14Å; D183-K223 IonicContact OD1-NZ 3.87Å; D183-K223 PolarHBondContact OD1-NZ 3.49Å; D183-K223 IonicContact OD2-NZ 3.26Å; D183-K223 PolarHBondContact OD2-NZ 3.02Å; A219-K223 PolarHBondContact O-N 3.06Å; K223-P225 WeakPolarHBondContact O-CD 3.48Å
224I47.1Very low50.2Low34 Ų3461.8 Ų61.817%0.17433%0.332CS..  trans-74.4120.4142.7-60.3-174.3000105.6M189 A219 Q220 T226M189-I224 HydrophobicContact CE-CD1 4.47Å; A219-I224 HydrophobicContact CB-CD1 4.34Å; A219-I224 HydrophobicContact CB-CG1 4.36Å; A219-I224 PolarHBondContact O-N 3.3Å; Q220-I224 HydrophobicContact CB-CD1 4.49Å; Q220-I224 HydrophobicContact CG-CD1 3.62Å; Q220-I224 HydrophobicContact CG-CG1 4.26Å; I224-T226 PolarHBondContact O-N 3.23Å
225P42.4Very low50.5Low43 Ų4355.2 Ų55.228%0.27930%0.303SS..  trans-57.9114-175.220.1-30.5000109.4K223 N227 T228K223-P225 WeakPolarHBondContact O-CD 3.48Å; P225-N227 PolarHBondContact O-N 3.36Å; P225-T228 HydrophobicContact CB-CG2 3.94Å; P225-T228 HydrophobicContact CG-CG2 3.66Å; P225-T228 PolarHBondContact O-OG1 3.48Å
226T42.5Very low50.9Low141 Ų14155.5 Ų55.587%0.86530%0.304SS*.THydrogen-bonded Turntrans-65.37.4173.750.30000112.8I224I224-T226 PolarHBondContact O-N 3.23Å
227N37.3Very low51.2Low143 Ų14355.5 Ų55.577%0.76531%0.305SS*.THydrogen-bonded Turntrans-124.99-163.1-120.77.8000114.1P225P225-N227 PolarHBondContact O-N 3.36Å
228T40.6Very low51.5Low52 Ų5254.2 Ų54.232%0.31930%0.3SS..SBendtrans-97.1-7.8-179.150.90000113.9P225 F230P225-T228 HydrophobicContact CB-CG2 3.94Å; P225-T228 HydrophobicContact CG-CG2 3.66Å; P225-T228 PolarHBondContact O-OG1 3.48Å; T228-F230 VanDerWaalsContact CB-CE2 3.45Å; T228-F230 HydrophobicContact CG2-CD2 4.02Å; T228-F230 HydrophobicContact CG2-CE2 3.95Å; T228-F230 PolarHBondContact O-N 3.43Å; T228-F230 WeakPolarHBondContact OG1-CD2 3.2Å
229G37Very low52.3Low47 Ų4748.3 Ų48.349%0.48528%0.278SS..  trans68.17.7-175.600000114.3
230F40.2Very low53.3Low52 Ų5248.1 Ų48.123%0.22828%0.276CS..PPolyproline II helixtrans-77.1132.3177.6-63.8-52000111.5C196 N198 I200 T228C196-F230 HydrophobicContact CB-CE1 4.31Å; C196-F230 HydrophobicContact CB-CZ 4.32Å; N198-F230 WeakPolarHBondContact O-CD1 3.27Å; I200-F230 HydrophobicContact CD1-CB 4.36Å; I200-F230 HydrophobicContact CD1-CD2 4.03Å; I200-F230 HydrophobicContact CD1-CG 4.23Å; T228-F230 VanDerWaalsContact CB-CE2 3.45Å; T228-F230 HydrophobicContact CG2-CD2 4.02Å; T228-F230 HydrophobicContact CG2-CE2 3.95Å; T228-F230 PolarHBondContact O-N 3.43Å; T228-F230 WeakPolarHBondContact OG1-CD2 3.2Å
231S46.8Very low54Low7 Ų745.7 Ų45.75%0.04927%0.265CS..PPolyproline II helixtrans-83.3117.3164720000109.4
232V49Very low54.8Low19 Ų1943.9 Ų43.912%0.11525%0.25CC..EExtended strand (participates in β ladder)trans-81120.2168.7170.70000108.8F202F202-V232 HydrophobicContact CD2-CG1 3.48Å; F202-V232 VanDerWaalsContact CD2-CG1 3.48Å; F202-V232 HydrophobicContact CE2-CB 4.37Å; F202-V232 HydrophobicContact CE2-CG1 3.37Å; F202-V232 HydrophobicContact CE2-CG2 4.18Å
233K58.5Low56.2Low35 Ų3541 Ų4115%0.15224%0.235CC..EExtended strand (participates in β ladder)trans-117.9135.5172.7-65.6170.5-176.81720109.5L115 I200 F202 I235L115-K233 HydrophobicContact CD2-CD 3.66Å; L115-K233 HydrophobicContact CD2-CG 4.48Å; L115-K233 HydrophobicContact CG-CD 4.36Å; I200-K233 PolarHBondContact O-N 2.84Å; F202-K233 PolarHBondContact N-O 2.89Å; K233-I235 HydrophobicContact CB-CD1 4.35Å; K233-I235 HydrophobicContact CB-CG1 4.32Å
234V59.1Low57.4Low20 Ų2034.9 Ų34.912%0.12121%0.208CC..EExtended strand (participates in β ladder)trans-105.2119.4173.6179.30000107.5L96 F202 V204 Y209 F212L96-V234 HydrophobicContact CD2-CB 3.65Å; L96-V234 HydrophobicContact CD2-CG2 3.45Å; L96-V234 VanDerWaalsContact CD2-CG2 3.45Å; F202-V234 HydrophobicContact CB-CG2 4.25Å; F202-V234 HydrophobicContact CD2-CG2 4.46Å; F202-V234 WeakPolarHBondContact O-CA 3.32Å; V204-V234 HydrophobicContact CG2-CG1 3.48Å; V204-V234 VanDerWaalsContact CG2-CG1 3.48Å; Y209-V234 HydrophobicContact CE2-CG1 4.31Å; F212-V234 HydrophobicContact CD1-CG1 4.05Å; F212-V234 HydrophobicContact CE1-CG1 3.95Å; F212-V234 HydrophobicContact CE1-CG2 4Å
235I63.4Low58.6Low2 Ų237.4 Ų37.41%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-126.3139.6-172.8-56.5174.2000108.1N112 L116 N201 F202 L203 V204 K233 A237 D239 F240N112-I235 HydrophobicContact CB-CG2 4.19Å; L116-I235 HydrophobicContact CD1-CD1 4.08Å; L116-I235 HydrophobicContact CD1-CG2 4.02Å; L116-I235 HydrophobicContact CD2-CD1 3.61Å; L116-I235 HydrophobicContact CG-CD1 3.84Å; N201-I235 HydrophobicContact CB-CD1 4.23Å; F202-I235 PolarHBondContact O-N 3.11Å; L203-I235 VanDerWaalsContact CA-O 3.3Å; L203-I235 WeakPolarHBondContact CA-O 3.29Å; L203-I235 HydrophobicContact CD2-CB 3.89Å; L203-I235 HydrophobicContact CD2-CG2 4.25Å; V204-I235 PolarHBondContact N-O 3.34Å; K233-I235 HydrophobicContact CB-CD1 4.35Å; K233-I235 HydrophobicContact CB-CG1 4.32Å; I235-A237 PolarHBondContact O-N 2.83Å; I235-D239 HydrophobicContact CG2-CB 4.14Å; I235-F240 HydrophobicContact CG2-CB 4.29Å
236Y67.4Low60.4Low7 Ų737.9 Ų37.93%0.02722%0.218CC..EExtended strand (participates in β ladder)trans-65.7134.3171.7-66.9-74.4000109.3R109 F206 Y209 E238 D239 F240R109-Y236 HydrophobicContact CG-CD2 3.93Å; R109-Y236 HydrophobicContact CG-CE2 4.19Å; F206-Y236 HydrophobicContact CB-CD1 4.29Å; F206-Y236 HydrophobicContact CB-CE1 4.46Å; F206-Y236 AromaticContact CD2-CD1 3.85Å; F206-Y236 HydrophobicContact CD2-CD1 3.85Å; F206-Y236 AromaticContact CD2-CE1 3.49Å; F206-Y236 HydrophobicContact CD2-CE1 3.49Å; F206-Y236 VanDerWaalsContact CD2-CE1 3.49Å; F206-Y236 AromaticContact CD2-CZ 3.99Å; F206-Y236 HydrophobicContact CE2-CE1 4.15Å; F206-Y236 HydrophobicContact CG-CE1 4.39Å; Y209-Y236 AromaticContact CD2-CE1 3.6Å; Y209-Y236 HydrophobicContact CD2-CE1 3.6Å; Y209-Y236 AromaticContact CD2-CZ 3.69Å; Y209-Y236 WeakPolarHBondContact CD2-OH 3.32Å; Y209-Y236 HydrophobicContact CE2-CE1 4.33Å; Y209-Y236 HydrophobicContact CG-CE1 4.16Å; Y236-E238 PolarHBondContact O-N 3.28Å; Y236-E238 VanDerWaalsContact O-N 3.12Å; Y236-D239 WeakPolarHBondContact CB-OD2 3.29Å; Y236-D239 WeakPolarHBondContact CD2-OD2 3.25Å; Y236-D239 PolarHBondContact O-N 3.33Å; Y236-F240 PolarHBondContact O-N 3.45Å
237A65Low62.2Low2 Ų231.3 Ų31.32%0.01718%0.177CC..Hα-helixtrans-54.9-35179.300000111.7L203 V204 I235 F240 F241 F294 F298L203-A237 HydrophobicContact CB-CB 4.31Å; V204-A237 PolarHBondContact O-N 3.46Å; I235-A237 PolarHBondContact O-N 2.83Å; A237-F240 WeakPolarHBondContact O-CB 3.45Å; A237-F240 PolarHBondContact O-N 2.93Å; A237-F241 HydrophobicContact CB-CE2 4.41Å; A237-F241 WeakPolarHBondContact O-CD2 3.36Å; A237-F241 WeakPolarHBondContact O-CG 3.5Å; A237-F241 PolarHBondContact O-N 3.37Å; A237-F294 HydrophobicContact CB-CE1 4.41Å; A237-F294 HydrophobicContact CB-CZ 3.82Å; A237-F298 HydrophobicContact CB-CD2 4.09Å; A237-F298 HydrophobicContact CB-CE2 4.03Å
238E67.9Low63.9Low66 Ų6624.6 Ų24.631%0.30814%0.141SC..Hα-helixtrans-64.6-40175.7-63.582178.300113.1Y236 F240 F241 A242Y236-E238 PolarHBondContact O-N 3.28Å; Y236-E238 VanDerWaalsContact O-N 3.12Å; E238-F240 VanDerWaalsContact C-N 3.33Å; E238-F241 PolarHBondContact O-N 2.76Å; E238-A242 WeakPolarHBondContact O-CB 3.31Å; E238-A242 PolarHBondContact O-N 3.24Å
239D73.2Confident65.6Low6 Ų626.3 Ų26.33%0.03215%0.146CC..Hα-helixtrans-71-37.4178.5-60-15.5000110.5R109 N112 I235 Y236 A242 A243R109-D239 VanDerWaalsContact CA-OD2 3.28Å; R109-D239 WeakPolarHBondContact CA-OD2 3.48Å; R109-D239 WeakPolarHBondContact CB-OD2 3.38Å; R109-D239 WeakPolarHBondContact CG-OD2 3.49Å; R109-D239 IonicContact CZ-OD1 2.69Å; R109-D239 VanDerWaalsContact CZ-OD1 3.26Å; R109-D239 IonicContact NE-OD1 3.79Å; R109-D239 PolarHBondContact NE-OD1 3.39Å; R109-D239 IonicContact NE-OD2 2.75Å; R109-D239 IonicContact NH2-OD1 2.88Å; R109-D239 PolarHBondContact NH2-OD1 2.8Å; N112-D239 HydrophobicContact CB-CB 4.39Å; I235-D239 HydrophobicContact CG2-CB 4.14Å; Y236-D239 WeakPolarHBondContact CB-OD2 3.29Å; Y236-D239 WeakPolarHBondContact CD2-OD2 3.25Å; Y236-D239 PolarHBondContact O-N 3.33Å; D239-A242 PolarHBondContact O-N 3Å; D239-A243 VanDerWaalsContact O-CB 3.31Å; D239-A243 WeakPolarHBondContact O-CB 3.38Å; D239-A243 PolarHBondContact O-N 2.78Å
240F73.2Confident67.7Low0 Ų029.4 Ų29.40%015%0.151CC..Hα-helixtrans-55.8-51.4171.8173.6-94.7000111.6L116 W120 I135 F160 L203 I235 Y236 A237 E238 A242 A243 L244 F298 Y302L116-F240 HydrophobicContact CD1-CB 4.32Å; L116-F240 HydrophobicContact CD1-CD2 3.94Å; L116-F240 HydrophobicContact CD2-CD2 4.4Å; W120-F240 HydrophobicContact CH2-CD2 4.21Å; W120-F240 AromaticContact CH2-CE2 3.48Å; W120-F240 HydrophobicContact CH2-CE2 3.48Å; W120-F240 VanDerWaalsContact CH2-CE2 3.48Å; W120-F240 HydrophobicContact CH2-CZ 4.06Å; W120-F240 HydrophobicContact CZ2-CD2 4.42Å; W120-F240 AromaticContact CZ2-CE2 3.45Å; W120-F240 HydrophobicContact CZ2-CE2 3.45Å; W120-F240 VanDerWaalsContact CZ2-CE2 3.45Å; W120-F240 HydrophobicContact CZ2-CZ 4.04Å; I135-F240 HydrophobicContact CD1-CD1 4.42Å; I135-F240 HydrophobicContact CD1-CD2 3.4Å; I135-F240 HydrophobicContact CD1-CE1 3.97Å; I135-F240 HydrophobicContact CD1-CE2 2.87Å; I135-F240 HydrophobicContact CD1-CG 4.19Å; I135-F240 HydrophobicContact CD1-CZ 3.24Å; I135-F240 HydrophobicContact CG1-CE2 4.34Å; F160-F240 HydrophobicContact CE1-CE1 4.35Å; F160-F240 HydrophobicContact CE1-CZ 4.21Å; F160-F240 HydrophobicContact CE2-CZ 4.44Å; F160-F240 AromaticContact CZ-CE1 3.99Å; F160-F240 HydrophobicContact CZ-CE1 3.99Å; F160-F240 HydrophobicContact CZ-CE2 4.28Å; F160-F240 AromaticContact CZ-CZ 3.49Å; F160-F240 HydrophobicContact CZ-CZ 3.49Å; F160-F240 VanDerWaalsContact CZ-CZ 3.49Å; L203-F240 HydrophobicContact CD1-CB 4.05Å; L203-F240 HydrophobicContact CD1-CD1 3.74Å; L203-F240 HydrophobicContact CD1-CD2 4.32Å; L203-F240 HydrophobicContact CD1-CE1 4.49Å; L203-F240 HydrophobicContact CD1-CG 3.68Å; L203-F240 HydrophobicContact CD2-CB 3.59Å; L203-F240 HydrophobicContact CD2-CD2 4.16Å; L203-F240 HydrophobicContact CD2-CG 3.85Å; L203-F240 HydrophobicContact CG-CB 4.5Å; L203-F240 HydrophobicContact CG-CG 4.45Å; I235-F240 HydrophobicContact CG2-CB 4.29Å; Y236-F240 PolarHBondContact O-N 3.45Å; A237-F240 WeakPolarHBondContact O-CB 3.45Å; A237-F240 PolarHBondContact O-N 2.93Å; E238-F240 VanDerWaalsContact C-N 3.33Å; F240-A242 PolarHBondContact O-N 2.8Å; F240-A243 PolarHBondContact O-N 3.33Å; F240-L244 HydrophobicContact CE1-CB 4.41Å; F240-L244 HydrophobicContact CE1-CD2 4.1Å; F240-L244 HydrophobicContact CZ-CB 4.15Å; F240-L244 HydrophobicContact CZ-CD1 4.43Å; F240-L244 HydrophobicContact CZ-CD2 4.14Å; F240-L244 HydrophobicContact CZ-CG 4.48Å; F240-L244 VanDerWaalsContact O-CB 3.31Å; F240-L244 WeakPolarHBondContact O-CB 3.44Å; F240-L244 PolarHBondContact O-N 2.68Å; F240-F298 HydrophobicContact CD1-CE2 4.03Å; F240-F298 AromaticContact CD1-CZ 3.65Å; F240-F298 HydrophobicContact CD1-CZ 3.65Å; F240-F298 AromaticContact CE1-CZ 3.9Å; F240-F298 HydrophobicContact CE1-CZ 3.9Å; F240-Y302 HydrophobicContact CE1-CD2 4.16Å; F240-Y302 HydrophobicContact CE1-CE2 4.32Å; F240-Y302 HydrophobicContact CZ-CE2 4.47Å
241F69.6Low69.4Low10 Ų1028.7 Ų28.74%0.04415%0.148CC..Hα-helixtrans-64.2-39.8177.6-67.9-52000113A237 E238 L244 K245 F298 R301 Y302 Y305A237-F241 HydrophobicContact CB-CE2 4.41Å; A237-F241 WeakPolarHBondContact O-CD2 3.36Å; A237-F241 WeakPolarHBondContact O-CG 3.5Å; A237-F241 PolarHBondContact O-N 3.37Å; E238-F241 PolarHBondContact O-N 2.76Å; F241-L244 PolarHBondContact O-N 2.9Å; F241-K245 WeakPolarHBondContact O-CB 3.42Å; F241-K245 PolarHBondContact O-N 3.47Å; F241-F298 HydrophobicContact CD2-CE2 4.4Å; F241-F298 HydrophobicContact CE1-CD2 4.11Å; F241-F298 HydrophobicContact CE1-CE1 4.28Å; F241-F298 AromaticContact CE1-CE2 3.63Å; F241-F298 HydrophobicContact CE1-CE2 3.63Å; F241-F298 AromaticContact CE1-CZ 3.7Å; F241-F298 HydrophobicContact CE1-CZ 3.7Å; F241-F298 AromaticContact CE2-CD2 3.53Å; F241-F298 HydrophobicContact CE2-CD2 3.53Å; F241-F298 AromaticContact CE2-CE2 3.49Å; F241-F298 HydrophobicContact CE2-CE2 3.49Å; F241-F298 VanDerWaalsContact CE2-CE2 3.49Å; F241-F298 HydrophobicContact CE2-CG 4.42Å; F241-F298 HydrophobicContact CE2-CZ 4.4Å; F241-F298 HydrophobicContact CZ-CB 4.38Å; F241-F298 HydrophobicContact CZ-CD1 4.2Å; F241-F298 AromaticContact CZ-CD2 3.14Å; F241-F298 HydrophobicContact CZ-CD2 3.14Å; F241-F298 HydrophobicContact CZ-CE1 4.16Å; F241-F298 AromaticContact CZ-CE2 3.04Å; F241-F298 HydrophobicContact CZ-CE2 3.04Å; F241-F298 AromaticContact CZ-CG 3.7Å; F241-F298 HydrophobicContact CZ-CG 3.7Å; F241-F298 AromaticContact CZ-CZ 3.58Å; F241-F298 HydrophobicContact CZ-CZ 3.58Å; F241-F298 VanDerWaalsContact CZ-O 3.31Å; F241-F298 WeakPolarHBondContact CZ-O 3.38Å; F241-R301 HydrophobicContact CE2-CB 4.24Å; F241-R301 HydrophobicContact CZ-CB 4.04Å; F241-Y302 HydrophobicContact CE1-CD2 4.22Å; F241-Y305 HydrophobicContact CB-CD2 4.17Å; F241-Y305 HydrophobicContact CB-CE2 3.99Å; F241-Y305 HydrophobicContact CD1-CD2 4.04Å; F241-Y305 HydrophobicContact CD1-CE2 4.37Å; F241-Y305 HydrophobicContact CD2-CE2 4.41Å; F241-Y305 HydrophobicContact CG-CD2 4.13Å; F241-Y305 HydrophobicContact CG-CE2 4.02Å
242A73.2Confident70.7Confident44 Ų4434.1 Ų34.136%0.36417%0.167SC..Hα-helixtrans-64.4-4317800000111.9E238 D239 F240 L246E238-A242 WeakPolarHBondContact O-CB 3.31Å; E238-A242 PolarHBondContact O-N 3.24Å; D239-A242 PolarHBondContact O-N 3Å; F240-A242 PolarHBondContact O-N 2.8Å; A242-L246 PolarHBondContact O-N 3.47Å
243A77.1Confident71.7Confident0 Ų041.1 Ų41.10%020%0.199CC..Hα-helixtrans-65.7-46175.800000110.9K113 L116 L117 W120 D239 F240 K245 L246 W247K113-A243 HydrophobicContact CG-CB 3.94Å; L116-A243 HydrophobicContact CB-CB 3.73Å; L116-A243 HydrophobicContact CD1-CB 3.67Å; L116-A243 HydrophobicContact CG-CB 4.38Å; L117-A243 HydrophobicContact CD2-CB 4.41Å; L117-A243 WeakPolarHBondContact CD2-O 3.45Å; L117-A243 HydrophobicContact CG-CB 4.44Å; W120-A243 HydrophobicContact CH2-CB 4.32Å; W120-A243 HydrophobicContact CZ3-CB 3.73Å; D239-A243 VanDerWaalsContact O-CB 3.31Å; D239-A243 WeakPolarHBondContact O-CB 3.38Å; D239-A243 PolarHBondContact O-N 2.78Å; F240-A243 PolarHBondContact O-N 3.33Å; A243-K245 VanDerWaalsContact C-N 3.32Å; A243-K245 PolarHBondContact O-N 3.47Å; A243-L246 PolarHBondContact O-N 2.81Å; A243-W247 WeakPolarHBondContact O-CB 3.31Å; A243-W247 PolarHBondContact O-N 3.19Å
244L74.2Confident72.2Confident3 Ų342.8 Ų42.82%0.01621%0.212CC..Hα-helixtrans-58.5-47.3-179.9178.870.7000110.9W120 F240 F241 L246 W247 V248 Y302 L306W120-L244 HydrophobicContact CH2-CB 3.83Å; W120-L244 HydrophobicContact CH2-CD1 4.05Å; W120-L244 HydrophobicContact CZ2-CD1 4.23Å; W120-L244 HydrophobicContact CZ3-CB 4.29Å; F240-L244 HydrophobicContact CE1-CB 4.41Å; F240-L244 HydrophobicContact CE1-CD2 4.1Å; F240-L244 HydrophobicContact CZ-CB 4.15Å; F240-L244 HydrophobicContact CZ-CD1 4.43Å; F240-L244 HydrophobicContact CZ-CD2 4.14Å; F240-L244 HydrophobicContact CZ-CG 4.48Å; F240-L244 VanDerWaalsContact O-CB 3.31Å; F240-L244 WeakPolarHBondContact O-CB 3.44Å; F240-L244 PolarHBondContact O-N 2.68Å; F241-L244 PolarHBondContact O-N 2.9Å; L244-L246 PolarHBondContact O-N 3.35Å; L244-W247 PolarHBondContact O-N 2.79Å; L244-V248 HydrophobicContact CD1-CG2 4.18Å; L244-V248 HydrophobicContact CG-CG2 4.36Å; L244-V248 WeakPolarHBondContact O-CB 3.47Å; L244-V248 VanDerWaalsContact O-CG2 3.31Å; L244-V248 WeakPolarHBondContact O-CG2 3.49Å; L244-V248 PolarHBondContact O-N 3Å; L244-Y302 HydrophobicContact CD1-CE2 4.48Å; L244-Y302 HydrophobicContact CD2-CD2 3.45Å; L244-Y302 VanDerWaalsContact CD2-CD2 3.45Å; L244-Y302 HydrophobicContact CD2-CE2 3.19Å; L244-Y302 HydrophobicContact CG-CE2 4.44Å; L244-L306 HydrophobicContact CD2-CD2 4.36Å
245K72.3Confident72.6Confident87 Ų8741.9 Ų41.938%0.37821%0.207SC..Hα-helixtrans-54.7-54.2177.7176.8179173.7179.50110.7F241 A243 W247 V248 E249F241-K245 WeakPolarHBondContact O-CB 3.42Å; F241-K245 PolarHBondContact O-N 3.47Å; A243-K245 VanDerWaalsContact C-N 3.32Å; A243-K245 PolarHBondContact O-N 3.47Å; K245-W247 VanDerWaalsContact C-N 3.29Å; K245-W247 PolarHBondContact O-N 3.18Å; K245-V248 PolarHBondContact O-N 3.22Å; K245-E249 WeakPolarHBondContact CE-OE1 3.3Å; K245-E249 HydrophobicContact CG-CG 4.49Å; K245-E249 IonicContact NZ-OE1 3.42Å; K245-E249 WeakPolarHBondContact O-CB 3.31Å; K245-E249 VanDerWaalsContact O-CG 3.31Å; K245-E249 WeakPolarHBondContact O-CG 3.22Å; K245-E249 PolarHBondContact O-N 3.4Å
246L80.8Confident72.6Confident53 Ų5344.6 Ų44.628%0.27723%0.226SC..Hα-helixtrans-61.3-40.1-178.6-177.861.9000111.7L117 A242 A243 L244 N250L117-L246 HydrophobicContact CD1-CD2 3.67Å; L117-L246 HydrophobicContact CD2-CB 4.3Å; L117-L246 HydrophobicContact CD2-CD2 4.3Å; L117-L246 HydrophobicContact CD2-CG 4.34Å; A242-L246 PolarHBondContact O-N 3.47Å; A243-L246 PolarHBondContact O-N 2.81Å; L244-L246 PolarHBondContact O-N 3.35Å; L246-N250 WeakPolarHBondContact O-CB 3.26Å; L246-N250 PolarHBondContact O-N 3.47Å; L246-N250 PolarHBondContact O-ND2 3.34Å
247W79.4Confident72.4Confident3 Ų350.9 Ų50.91%0.01126%0.26CS..Hα-helixtrans-65.3-46.1178.7-17381.1000112.2L117 W120 N121 M129 M132 L162 A243 L244 K245 N250 H251 L255L117-W247 HydrophobicContact CD2-CB 3.83Å; W120-W247 HydrophobicContact CB-CD2 4.12Å; W120-W247 HydrophobicContact CB-CG 4.06Å; W120-W247 HydrophobicContact CB-CZ2 4.24Å; W120-W247 VanDerWaalsContact CB-NE1 3.3Å; W120-W247 HydrophobicContact CD2-CG 4.35Å; W120-W247 HydrophobicContact CE3-CB 3.8Å; W120-W247 HydrophobicContact CE3-CD2 4.46Å; W120-W247 AromaticContact CE3-CG 3.85Å; W120-W247 HydrophobicContact CE3-CG 3.85Å; W120-W247 HydrophobicContact CZ3-CB 4.16Å; N121-W247 VanDerWaalsContact OD1-CD1 3.27Å; N121-W247 PolarHBondContact OD1-NE1 2.87Å; N121-W247 VanDerWaalsContact OD1-NE1 3.12Å; M129-W247 HydrophobicContact CE-CH2 3.58Å; M129-W247 HydrophobicContact CE-CZ2 4.21Å; M129-W247 HydrophobicContact SD-CH2 4.49Å; M132-W247 HydrophobicContact CE-CH2 3.68Å; M132-W247 HydrophobicContact CE-CZ3 3.93Å; M132-W247 HydrophobicContact CG-CH2 4.2Å; M132-W247 HydrophobicContact CG-CZ3 4.44Å; M132-W247 HydrophobicContact SD-CE3 4.14Å; M132-W247 HydrophobicContact SD-CH2 3.32Å; M132-W247 WeakPolarHBondContact SD-CH2 3.4Å; M132-W247 HydrophobicContact SD-CZ2 4.39Å; M132-W247 HydrophobicContact SD-CZ3 3.18Å; M132-W247 WeakPolarHBondContact SD-CZ3 3.49Å; L162-W247 HydrophobicContact CD2-CZ3 4.44Å; A243-W247 WeakPolarHBondContact O-CB 3.31Å; A243-W247 PolarHBondContact O-N 3.19Å; L244-W247 PolarHBondContact O-N 2.79Å; K245-W247 VanDerWaalsContact C-N 3.29Å; K245-W247 PolarHBondContact O-N 3.18Å; W247-N250 PolarHBondContact O-N 3.47Å; W247-H251 AromaticContact CD1-CE1 3.55Å; W247-H251 AromaticContact CD1-ND1 3.64Å; W247-H251 AromaticContact CD2-ND1 3.91Å; W247-H251 AromaticContact CE2-CE1 3.86Å; W247-H251 AromaticContact CE2-ND1 3.63Å; W247-H251 AromaticContact CG-ND1 3.94Å; W247-H251 AromaticContact NE1-CE1 3.21Å; W247-H251 PolarHBondContact NE1-CE1 3.33Å; W247-H251 AromaticContact NE1-ND1 3.41Å; W247-H251 PolarHBondContact NE1-ND1 3.24Å; W247-H251 AromaticContact NE1-NE2 3.81Å; W247-H251 PolarHBondContact O-N 3.1Å; W247-H251 VanDerWaalsContact O-N 3.09Å; W247-H251 PolarHBondContact O-ND1 3.18Å; W247-L255 HydrophobicContact CH2-CD2 4.37Å; W247-L255 HydrophobicContact CZ3-CD1 4.07Å; W247-L255 HydrophobicContact CZ3-CD2 4.21Å
248V73Confident72Confident1 Ų156.4 Ų56.41%0.00628%0.281CS..Hα-helixtrans-62.3-43.9177.2170.30000111L244 K245 N250 H251 R252 L255 L306 A309 L310L244-V248 HydrophobicContact CD1-CG2 4.18Å; L244-V248 HydrophobicContact CG-CG2 4.36Å; L244-V248 WeakPolarHBondContact O-CB 3.47Å; L244-V248 VanDerWaalsContact O-CG2 3.31Å; L244-V248 WeakPolarHBondContact O-CG2 3.49Å; L244-V248 PolarHBondContact O-N 3Å; K245-V248 PolarHBondContact O-N 3.22Å; V248-N250 VanDerWaalsContact C-N 3.3Å; V248-N250 PolarHBondContact O-N 3.24Å; V248-H251 CarbonylContact O-C 3.44Å; V248-H251 PolarHBondContact O-N 3.36Å; V248-R252 WeakPolarHBondContact O-CA 2.95Å; V248-R252 PolarHBondContact O-N 3.28Å; V248-L255 HydrophobicContact CB-CD1 4.25Å; V248-L255 HydrophobicContact CG1-CD1 3.97Å; V248-L255 HydrophobicContact CG2-CD1 4.27Å; V248-L306 HydrophobicContact CG2-CD2 3.97Å; V248-A309 HydrophobicContact CB-CB 4.41Å; V248-A309 HydrophobicContact CG1-CB 3.68Å; V248-L310 HydrophobicContact CG1-CD1 3.6Å; V248-L310 HydrophobicContact CG1-CD2 4.03Å; V248-L310 HydrophobicContact CG1-CG 3.58Å
249E77.8Confident71.5Confident89 Ų8954.6 Ų54.642%0.41627%0.273SS..Hα-helixtrans-58.8-42.2176.2-73.8171.5165.300111.5K245 H251 A309K245-E249 WeakPolarHBondContact CE-OE1 3.3Å; K245-E249 HydrophobicContact CG-CG 4.49Å; K245-E249 IonicContact NZ-OE1 3.42Å; K245-E249 WeakPolarHBondContact O-CB 3.31Å; K245-E249 VanDerWaalsContact O-CG 3.31Å; K245-E249 WeakPolarHBondContact O-CG 3.22Å; K245-E249 PolarHBondContact O-N 3.4Å; E249-H251 VanDerWaalsContact C-N 3.34Å; E249-H251 PolarHBondContact O-N 3.07Å; E249-A309 HydrophobicContact CG-CB 4.43Å
250N81.6Confident70.6Confident111 Ų11158.6 Ų58.659%0.59429%0.294SS*.Hα-helixtrans-72.4-22.9179.9-70.2-16.3000114.3L246 W247 V248L246-N250 WeakPolarHBondContact O-CB 3.26Å; L246-N250 PolarHBondContact O-N 3.47Å; L246-N250 PolarHBondContact O-ND2 3.34Å; W247-N250 PolarHBondContact O-N 3.47Å; V248-N250 VanDerWaalsContact C-N 3.3Å; V248-N250 PolarHBondContact O-N 3.24Å
251H75.4Confident69.6Low37 Ų3763.5 Ų63.517%0.17133%0.328CS..THydrogen-bonded Turntrans-113.814.9-176.4-63.680.3000112.7N121 W247 V248 E249 E253 T254 L255N121-H251 PolarHBondContact OD1-CE1 2.99Å; W247-H251 AromaticContact CD1-CE1 3.55Å; W247-H251 AromaticContact CD1-ND1 3.64Å; W247-H251 AromaticContact CD2-ND1 3.91Å; W247-H251 AromaticContact CE2-CE1 3.86Å; W247-H251 AromaticContact CE2-ND1 3.63Å; W247-H251 AromaticContact CG-ND1 3.94Å; W247-H251 AromaticContact NE1-CE1 3.21Å; W247-H251 PolarHBondContact NE1-CE1 3.33Å; W247-H251 AromaticContact NE1-ND1 3.41Å; W247-H251 PolarHBondContact NE1-ND1 3.24Å; W247-H251 AromaticContact NE1-NE2 3.81Å; W247-H251 PolarHBondContact O-N 3.1Å; W247-H251 VanDerWaalsContact O-N 3.09Å; W247-H251 PolarHBondContact O-ND1 3.18Å; V248-H251 CarbonylContact O-C 3.44Å; V248-H251 PolarHBondContact O-N 3.36Å; E249-H251 VanDerWaalsContact C-N 3.34Å; E249-H251 PolarHBondContact O-N 3.07Å; H251-E253 VanDerWaalsContact C-N 3.32Å; H251-E253 PolarHBondContact O-N 2.85Å; H251-T254 PolarHBondContact O-N 2.75Å; H251-T254 VanDerWaalsContact O-N 3.17Å; H251-L255 HydrophobicContact CB-CD1 4.05Å; H251-L255 HydrophobicContact CB-CG 4.17Å; H251-L255 VanDerWaalsContact O-CB 3.31Å; H251-L255 WeakPolarHBondContact O-CB 3.01Å; H251-L255 VanDerWaalsContact O-CG 3.28Å; H251-L255 WeakPolarHBondContact O-CG 3.5Å; H251-L255 PolarHBondContact O-N 2.85Å
252R73.4Confident68.9Low121 Ų12168.3 Ų68.346%0.45736%0.358SS..Hα-helixtrans-52.1-46.5-171.8179.5170.4-175.6-135.71113.3V248 L255 S256 L310 D312V248-R252 WeakPolarHBondContact O-CA 2.95Å; V248-R252 PolarHBondContact O-N 3.28Å; R252-L255 PolarHBondContact O-N 3.04Å; R252-S256 PolarHBondContact O-N 3.48Å; R252-S256 PolarHBondContact O-OG 2.98Å; R252-L310 HydrophobicContact CB-CD2 4.41Å; R252-L310 HydrophobicContact CG-CD2 3.78Å; R252-D312 IonicContact NH2-OD2 2.93Å; R252-D312 PolarHBondContact NH2-OD2 3.39Å
253E71Confident67.9Low167 Ų16767.3 Ų67.378%0.7835%0.35SS*.Hα-helixtrans-63.7-46.1-178.2-63.9-178.2171.500111.7H251 L255 S256H251-E253 VanDerWaalsContact C-N 3.32Å; H251-E253 PolarHBondContact O-N 2.85Å; E253-L255 VanDerWaalsContact C-N 3.32Å; E253-L255 PolarHBondContact O-N 3.42Å; E253-S256 PolarHBondContact O-OG 3.02Å
254T68.9Low66.5Low70 Ų7075.7 Ų75.743%0.42939%0.387SS..Hα-helixtrans-64.2-41.8175.9-52.20000110.5H251 D257 Y258H251-T254 PolarHBondContact O-N 2.75Å; H251-T254 VanDerWaalsContact O-N 3.17Å; T254-D257 PolarHBondContact O-N 3.42Å; T254-Y258 HydrophobicContact CG2-CE2 3.83Å; T254-Y258 WeakPolarHBondContact O-CD2 3.21Å; T254-Y258 WeakPolarHBondContact O-CE2 3.33Å
255L66Low65.1Low0 Ų078 Ų780%040%0.401CS..Hα-helixtrans-63.6-42.2-178.4-80172.8000112.6M129 M132 L162 W247 V248 H251 R252 E253 D257 Y258 F259 L310M129-L255 HydrophobicContact CE-CD2 3.45Å; M129-L255 VanDerWaalsContact CE-CD2 3.45Å; M129-L255 HydrophobicContact CE-CG 4.13Å; M129-L255 HydrophobicContact SD-CD2 3.41Å; M129-L255 WeakPolarHBondContact SD-CD2 3.19Å; M132-L255 HydrophobicContact CE-CD2 4.36Å; L162-L255 HydrophobicContact CD2-CD2 3.47Å; L162-L255 VanDerWaalsContact CD2-CD2 3.47Å; W247-L255 HydrophobicContact CH2-CD2 4.37Å; W247-L255 HydrophobicContact CZ3-CD1 4.07Å; W247-L255 HydrophobicContact CZ3-CD2 4.21Å; V248-L255 HydrophobicContact CB-CD1 4.25Å; V248-L255 HydrophobicContact CG1-CD1 3.97Å; V248-L255 HydrophobicContact CG2-CD1 4.27Å; H251-L255 HydrophobicContact CB-CD1 4.05Å; H251-L255 HydrophobicContact CB-CG 4.17Å; H251-L255 VanDerWaalsContact O-CB 3.31Å; H251-L255 WeakPolarHBondContact O-CB 3.01Å; H251-L255 VanDerWaalsContact O-CG 3.28Å; H251-L255 WeakPolarHBondContact O-CG 3.5Å; H251-L255 PolarHBondContact O-N 2.85Å; R252-L255 PolarHBondContact O-N 3.04Å; E253-L255 VanDerWaalsContact C-N 3.32Å; E253-L255 PolarHBondContact O-N 3.42Å; L255-D257 PolarHBondContact O-N 3.4Å; L255-D257 VanDerWaalsContact O-N 3.14Å; L255-Y258 PolarHBondContact O-N 2.88Å; L255-F259 HydrophobicContact CB-CD2 4.39Å; L255-F259 HydrophobicContact CB-CE2 3.95Å; L255-F259 HydrophobicContact CD2-CE2 3.93Å; L255-F259 HydrophobicContact CD2-CZ 4.44Å; L255-F259 HydrophobicContact CG-CE2 4.47Å; L255-F259 WeakPolarHBondContact O-CD2 3.47Å; L255-F259 PolarHBondContact O-N 3.33Å; L255-L310 HydrophobicContact CD1-CD1 4.46Å
256S63.7Low63.8Low60 Ų6078.1 Ų78.142%0.4240%0.403SS..Hα-helixtrans-57.8-27.7-179.242.30000113.8R252 E253 Y258R252-S256 PolarHBondContact O-N 3.48Å; R252-S256 PolarHBondContact O-OG 2.98Å; E253-S256 PolarHBondContact O-OG 3.02Å; S256-Y258 VanDerWaalsContact C-N 3.28Å; S256-Y258 PolarHBondContact O-N 2.89Å
257D63Low61.9Low138 Ų13881.1 Ų81.174%0.73842%0.424SS*.THydrogen-bonded Turntrans-73.5-19178-66-17.9000113.4T254 L255T254-D257 PolarHBondContact O-N 3.42Å; L255-D257 PolarHBondContact O-N 3.4Å; L255-D257 VanDerWaalsContact O-N 3.14Å
258Y57.4Low60Low119 Ų11983.3 Ų83.347%0.46744%0.443SS..THydrogen-bonded Turntrans-101.5-11.8-176-65.5-80.8000114.1M129 T254 L255 S256M129-Y258 HydrophobicContact CG-CD1 4.36Å; M129-Y258 HydrophobicContact CG-CD2 3.9Å; M129-Y258 HydrophobicContact CG-CE2 4.12Å; M129-Y258 HydrophobicContact CG-CG 4.06Å; T254-Y258 HydrophobicContact CG2-CE2 3.83Å; T254-Y258 WeakPolarHBondContact O-CD2 3.21Å; T254-Y258 WeakPolarHBondContact O-CE2 3.33Å; L255-Y258 PolarHBondContact O-N 2.88Å; S256-Y258 VanDerWaalsContact C-N 3.28Å; S256-Y258 PolarHBondContact O-N 2.89Å
259F57.2Low58.8Low28 Ų2885.6 Ų85.612%0.12346%0.456CS..SBendtrans-98.6139.1178.7-66.5-75.1000112L162 L255 S261 L310 V313 F315L162-F259 HydrophobicContact CD1-CZ 4.32Å; L162-F259 HydrophobicContact CD2-CE1 4.32Å; L162-F259 HydrophobicContact CD2-CE2 4.06Å; L162-F259 HydrophobicContact CD2-CZ 3.39Å; L162-F259 HydrophobicContact CG-CE1 4.06Å; L162-F259 HydrophobicContact CG-CZ 3.53Å; L255-F259 HydrophobicContact CB-CD2 4.39Å; L255-F259 HydrophobicContact CB-CE2 3.95Å; L255-F259 HydrophobicContact CD2-CE2 3.93Å; L255-F259 HydrophobicContact CD2-CZ 4.44Å; L255-F259 HydrophobicContact CG-CE2 4.47Å; L255-F259 WeakPolarHBondContact O-CD2 3.47Å; L255-F259 PolarHBondContact O-N 3.33Å; F259-S261 PolarHBondContact O-N 2.82Å; F259-L310 HydrophobicContact CE2-CD1 3.8Å; F259-L310 HydrophobicContact CZ-CD1 4.27Å; F259-V313 HydrophobicContact CB-CB 4.33Å; F259-V313 HydrophobicContact CB-CG1 3.41Å; F259-V313 VanDerWaalsContact CB-CG1 3.41Å; F259-V313 HydrophobicContact CB-CG2 4.19Å; F259-V313 HydrophobicContact CD1-CG1 3.64Å; F259-V313 HydrophobicContact CD2-CB 4.41Å; F259-V313 HydrophobicContact CD2-CG1 3.48Å; F259-V313 VanDerWaalsContact CD2-CG1 3.48Å; F259-V313 HydrophobicContact CD2-CG2 4.05Å; F259-V313 HydrophobicContact CE1-CG1 4.13Å; F259-V313 HydrophobicContact CE2-CG1 3.99Å; F259-V313 HydrophobicContact CG-CB 4.43Å; F259-V313 HydrophobicContact CG-CG1 3.25Å; F259-V313 HydrophobicContact CG-CG2 4.39Å; F259-V313 HydrophobicContact CZ-CG1 4.25Å; F259-F315 AromaticContact CE1-CD1 3.95Å; F259-F315 HydrophobicContact CE1-CD1 3.95Å; F259-F315 AromaticContact CE1-CE1 3.77Å; F259-F315 HydrophobicContact CE1-CE1 3.77Å; F259-F315 HydrophobicContact CZ-CD1 4.37Å; F259-F315 AromaticContact CZ-CE1 3.73Å; F259-F315 HydrophobicContact CZ-CE1 3.73Å
260D54.5Low57.3Low90 Ų9081.8 Ų81.848%0.48144%0.44SS..  trans-72.2110.2173.4-176.3-3.3000109.3T262 A263D260-T262 VanDerWaalsContact CG-OG1 3.26Å; D260-T262 PolarHBondContact O-N 2.85Å; D260-T262 VanDerWaalsContact O-N 3.12Å; D260-T262 WeakPolarHBondContact OD1-CA 3.41Å; D260-T262 WeakPolarHBondContact OD1-CB 2.79Å; D260-T262 PolarHBondContact OD1-N 3.01Å; D260-T262 PolarHBondContact OD1-OG1 3.23Å; D260-T262 PolarHBondContact OD2-OG1 3.19Å; D260-A263 HydrophobicContact CB-CB 3.96Å; D260-A263 WeakPolarHBondContact O-CB 3.21Å; D260-A263 PolarHBondContact O-N 3.04Å; D260-A263 VanDerWaalsContact O-N 3.08Å
261S52.2Low55.6Low102 Ų10285 Ų8571%0.71345%0.448SS*.THydrogen-bonded Turntrans-63.3-12.7175.958.90000113.1F259F259-S261 PolarHBondContact O-N 2.82Å
262T53.8Low54.4Low111 Ų11184.4 Ų84.468%0.68145%0.446SS*.THydrogen-bonded Turntrans-99.9-6.9176.974.60000113.6D260 F264D260-T262 VanDerWaalsContact CG-OG1 3.26Å; D260-T262 PolarHBondContact O-N 2.85Å; D260-T262 VanDerWaalsContact O-N 3.12Å; D260-T262 WeakPolarHBondContact OD1-CA 3.41Å; D260-T262 WeakPolarHBondContact OD1-CB 2.79Å; D260-T262 PolarHBondContact OD1-N 3.01Å; D260-T262 PolarHBondContact OD1-OG1 3.23Å; D260-T262 PolarHBondContact OD2-OG1 3.19Å; T262-F264 PolarHBondContact O-N 2.74Å
263A53.5Low53.2Low24 Ų2485.4 Ų85.420%0.19845%0.45CS..SBendtrans-64124.4178.400000110.4D260 T265 G314D260-A263 HydrophobicContact CB-CB 3.96Å; D260-A263 WeakPolarHBondContact O-CB 3.21Å; D260-A263 PolarHBondContact O-N 3.04Å; D260-A263 VanDerWaalsContact O-N 3.08Å; A263-T265 PolarHBondContact O-N 3.41Å; A263-G314 WeakPolarHBondContact O-CA 3.42Å
264F47.4Very low52.2Low176 Ų17678.4 Ų78.477%0.77242%0.419SS*.  trans-67.3118.5-178.7-157.6-92.5000110.2T262 E266T262-F264 PolarHBondContact O-N 2.74Å; F264-E266 PolarHBondContact O-N 2.66Å; F264-E266 VanDerWaalsContact O-N 3.07Å
265T45.1Very low51.4Low51 Ų5180.1 Ų80.131%0.31343%0.426SS..  trans-75.694.2173.5-48.10000109.1A263 T267A263-T265 PolarHBondContact O-N 3.41Å; T265-T267 PolarHBondContact O-N 2.74Å
266E44Very low50.5Low90 Ų9087.3 Ų87.342%0.42145%0.454SS..  trans-64.3122.2169.9-107.7-177.2163.700109.4F264 A268 R307 C317 L320F264-E266 PolarHBondContact O-N 2.66Å; F264-E266 VanDerWaalsContact O-N 3.07Å; E266-A268 VanDerWaalsContact C-N 3.26Å; E266-A268 PolarHBondContact O-N 3.31Å; E266-R307 PolarHBondContact O-NH2 3.11Å; E266-C317 HydrophobicContact CB-CB 3.78Å; E266-C317 WeakPolarHBondContact CB-SG 3.21Å; E266-C317 WeakPolarHBondContact OE2-CB 3.5Å; E266-L320 HydrophobicContact CB-CD1 4.19Å; E266-L320 HydrophobicContact CG-CD1 4.45Å; E266-L320 WeakPolarHBondContact OE2-CD1 3.46Å
267T40.9Very low50Low116 Ų11685.5 Ų85.571%0.71244%0.439SS*.  trans-77.2-10.4-174.233.40000113.6T265 V269T265-T267 PolarHBondContact O-N 2.74Å; T267-V269 PolarHBondContact O-N 3.26Å
268A40.4Very low49.3Very low49 Ų4985 Ų8541%0.40543%0.426SS..  trans-7797.2-173.700000111.1E266 P270 L320E266-A268 VanDerWaalsContact C-N 3.26Å; E266-A268 PolarHBondContact O-N 3.31Å; A268-P270 WeakPolarHBondContact O-CD 3.11Å; A268-L320 HydrophobicContact CB-CD1 3.82Å; A268-L320 HydrophobicContact CB-CD2 3.84Å; A268-L320 HydrophobicContact CB-CG 4.44Å
269V47.8Very low48.8Very low48 Ų4885.6 Ų85.629%0.29144%0.435SS..  trans-53.2120.3150.4174.90000106T267 K271T267-V269 PolarHBondContact O-N 3.26Å; V269-K271 PolarHBondContact O-N 2.84Å
270P45.3Very low48.2Very low10 Ų1087.9 Ų87.97%0.06545%0.448CS..  trans-60.4108.7173.425.1-31.4000106.8A268 I272 S296 I299 F323A268-P270 WeakPolarHBondContact O-CD 3.11Å; P270-I272 HydrophobicContact CB-CD1 4.31Å; P270-I272 HydrophobicContact CB-CG1 3.87Å; P270-I272 PolarHBondContact O-N 3.44Å; P270-S296 WeakPolarHBondContact O-CB 3.47Å; P270-I299 HydrophobicContact CG-CG2 4.11Å; P270-F323 HydrophobicContact CB-CD2 4.15Å; P270-F323 HydrophobicContact CG-CD2 4.17Å; P270-F323 HydrophobicContact CG-CE2 4.4Å
271K47.2Very low47.6Very low178 Ų17885.8 Ų85.877%0.77444%0.441SS*.  trans-80.366.5170-74.5-176-178.5174.40107V269 R273V269-K271 PolarHBondContact O-N 2.84Å; K271-R273 PolarHBondContact O-N 3.46Å
272I48.8Very low47.3Very low24 Ų2486.7 Ų86.712%0.12344%0.442CS..  trans-76.1118.6170.2-30.9164.5000104.9P270 V292 S296 F323 T327P270-I272 HydrophobicContact CB-CD1 4.31Å; P270-I272 HydrophobicContact CB-CG1 3.87Å; P270-I272 PolarHBondContact O-N 3.44Å; I272-V292 HydrophobicContact CB-CG1 3.73Å; I272-V292 HydrophobicContact CD1-CG1 4.24Å; I272-V292 HydrophobicContact CG2-CG1 3.29Å; I272-S296 WeakPolarHBondContact CB-OG 3.22Å; I272-S296 VanDerWaalsContact CD1-OG 3.28Å; I272-S296 WeakPolarHBondContact CD1-OG 3.27Å; I272-S296 WeakPolarHBondContact CG1-OG 3.44Å; I272-S296 PolarHBondContact N-OG 3.22Å; I272-S296 PolarHBondContact O-OG 2.86Å; I272-F323 HydrophobicContact CD1-CB 3.88Å; I272-F323 HydrophobicContact CD1-CD1 3.07Å; I272-F323 HydrophobicContact CD1-CD2 3.61Å; I272-F323 HydrophobicContact CD1-CE1 3.27Å; I272-F323 HydrophobicContact CD1-CE2 3.84Å; I272-F323 HydrophobicContact CD1-CG 3.23Å; I272-F323 HydrophobicContact CD1-CZ 3.67Å; I272-F323 HydrophobicContact CG1-CB 4.25Å; I272-F323 HydrophobicContact CG1-CD1 4.24Å; I272-F323 HydrophobicContact CG1-CG 4.1Å; I272-T327 HydrophobicContact CG2-CG2 4.45Å
273R49.8Very low47.1Very low143 Ų14388.9 Ų88.954%0.5444%0.444SS..  trans-119.5124.7173.3-68.6-171.8176.3-165.6-2.7106.2K271 D275 D293K271-R273 PolarHBondContact O-N 3.46Å; R273-D275 PolarHBondContact O-N 2.82Å; R273-D275 VanDerWaalsContact O-N 3.14Å; R273-D293 VanDerWaalsContact CA-OD1 3.25Å; R273-D293 WeakPolarHBondContact CA-OD1 3.31Å
274C49.8Very low46.3Very low20 Ų2091 Ų9114%0.13547%0.468CS..  trans-72.2106.5171.9-177.80000108.9Y276 H277 R278 C290 D293C274-Y276 PolarHBondContact O-N 2.89Å; C274-H277 HydrophobicContact CB-CB 4.13Å; C274-H277 PolarHBondContact O-N 3.07Å; C274-H277 PolarHBondContact SG-ND1 3.45Å; C274-R278 WeakPolarHBondContact O-CB 2.98Å; C274-R278 PolarHBondContact O-N 3.41Å; C274-C290 HydrophobicContact CB-CB 4.05Å; C274-C290 WeakPolarHBondContact CB-SG 3.4Å; C274-D293 PolarHBondContact N-OD1 3.49Å
275D51.9Low46.3Very low106 Ų10684.7 Ų84.757%0.56745%0.453SS*.Hα-helixtrans-60-31.8-179.7-75.8-31000112R273 R278 M279R273-D275 PolarHBondContact O-N 2.82Å; R273-D275 VanDerWaalsContact O-N 3.14Å; D275-R278 WeakPolarHBondContact O-CB 3.25Å; D275-R278 PolarHBondContact O-N 2.86Å; D275-M279 WeakPolarHBondContact O-CG 3.34Å; D275-M279 PolarHBondContact O-N 3.04Å
276Y47.6Very low46.2Very low151 Ų15189.4 Ų89.459%0.59247%0.471SS*.Hα-helixtrans-59.8-53.3172.8175.8-99.5000112.6C274 R278 M279 L280C274-Y276 PolarHBondContact O-N 2.89Å; Y276-R278 VanDerWaalsContact C-N 3.25Å; Y276-R278 PolarHBondContact O-N 2.98Å; Y276-M279 WeakPolarHBondContact O-CB 3.45Å; Y276-M279 PolarHBondContact O-N 3.43Å; Y276-L280 HydrophobicContact CD1-CD1 4.19Å; Y276-L280 HydrophobicContact CE1-CD1 3.69Å; Y276-L280 PolarHBondContact O-N 2.93Å; Y276-L280 VanDerWaalsContact O-N 3.14Å
277H51.6Low46.1Very low22 Ų2292.3 Ų92.310%0.10249%0.489CS..Hα-helixtrans-67.3-28.8177.3-72.3100.2000112.3E154 C274 L280 S281 C290E154-H277 IonicContact OE1-CE1 3.32Å; E154-H277 PolarHBondContact OE1-CE1 3.18Å; E154-H277 IonicContact OE1-NE2 3.79Å; E154-H277 IonicContact OE2-CE1 3.22Å; C274-H277 HydrophobicContact CB-CB 4.13Å; C274-H277 PolarHBondContact O-N 3.07Å; C274-H277 PolarHBondContact SG-ND1 3.45Å; H277-L280 PolarHBondContact O-N 3.11Å; H277-S281 PolarHBondContact O-N 2.56Å; H277-C290 HydrophobicContact CB-CB 3.93Å; H277-C290 WeakPolarHBondContact ND1-CB 3.38Å; H277-C290 PolarHBondContact ND1-SG 3.47Å
278R50.2Low46.5Very low126 Ų12690 Ų9048%0.47547%0.47SS..Hα-helixtrans-68.2-40.3173-162.7178.8172.7-172.8-6.1111.7C274 D275 Y276 L280 S281 V282C274-R278 WeakPolarHBondContact O-CB 2.98Å; C274-R278 PolarHBondContact O-N 3.41Å; D275-R278 WeakPolarHBondContact O-CB 3.25Å; D275-R278 PolarHBondContact O-N 2.86Å; Y276-R278 VanDerWaalsContact C-N 3.25Å; Y276-R278 PolarHBondContact O-N 2.98Å; R278-L280 VanDerWaalsContact C-N 3.31Å; R278-L280 PolarHBondContact O-N 2.9Å; R278-S281 WeakPolarHBondContact O-CB 3.48Å; R278-S281 PolarHBondContact O-N 3.43Å; R278-S281 VanDerWaalsContact O-N 3.15Å; R278-S281 PolarHBondContact O-OG 3.01Å; R278-V282 WeakPolarHBondContact O-CG2 3.44Å; R278-V282 PolarHBondContact O-N 3.37Å; R278-V282 VanDerWaalsContact O-N 3.17Å
279M46.2Very low47Very low132 Ų13290.8 Ų90.865%0.6547%0.472SS*.Hα-helixtrans-61.5-39.8172.8-74.1-175.575.700111.7D275 Y276 S281 V282 Q283D275-M279 WeakPolarHBondContact O-CG 3.34Å; D275-M279 PolarHBondContact O-N 3.04Å; Y276-M279 WeakPolarHBondContact O-CB 3.45Å; Y276-M279 PolarHBondContact O-N 3.43Å; M279-S281 VanDerWaalsContact C-N 3.32Å; M279-S281 PolarHBondContact O-N 2.62Å; M279-V282 PolarHBondContact O-N 3.34Å; M279-Q283 PolarHBondContact O-N 3.06Å
280L44.9Very low47.4Very low76 Ų7688.5 Ų88.540%0.39846%0.458SS..Hα-helixtrans-62.9-36.5173-67.7171.8000112.3Y276 H277 R278 V282 Q283Y276-L280 HydrophobicContact CD1-CD1 4.19Å; Y276-L280 HydrophobicContact CE1-CD1 3.69Å; Y276-L280 PolarHBondContact O-N 2.93Å; Y276-L280 VanDerWaalsContact O-N 3.14Å; H277-L280 PolarHBondContact O-N 3.11Å; R278-L280 VanDerWaalsContact C-N 3.31Å; R278-L280 PolarHBondContact O-N 2.9Å; L280-V282 VanDerWaalsContact C-N 3.32Å; L280-V282 PolarHBondContact O-N 3.47Å; L280-Q283 PolarHBondContact O-N 2.59Å
281S42.2Very low47.9Very low47 Ų4788 Ų8833%0.32946%0.455SS..Hα-helixtrans-64.7-33.3175.381.10000113.4H277 R278 M279 Q283 G284H277-S281 PolarHBondContact O-N 2.56Å; R278-S281 WeakPolarHBondContact O-CB 3.48Å; R278-S281 PolarHBondContact O-N 3.43Å; R278-S281 VanDerWaalsContact O-N 3.15Å; R278-S281 PolarHBondContact O-OG 3.01Å; M279-S281 VanDerWaalsContact C-N 3.32Å; M279-S281 PolarHBondContact O-N 2.62Å; S281-Q283 VanDerWaalsContact C-N 3.3Å; S281-Q283 PolarHBondContact O-N 3.24Å; S281-G284 PolarHBondContact O-N 2.73Å
282V46Very low48.4Very low121 Ų12180.6 Ų80.673%0.73342%0.424SS*.Hα-helixtrans-72.6-25.6178.6175.80000111.3R278 M279 L280 G284R278-V282 WeakPolarHBondContact O-CG2 3.44Å; R278-V282 PolarHBondContact O-N 3.37Å; R278-V282 VanDerWaalsContact O-N 3.17Å; M279-V282 PolarHBondContact O-N 3.34Å; L280-V282 VanDerWaalsContact C-N 3.32Å; L280-V282 PolarHBondContact O-N 3.47Å; V282-G284 VanDerWaalsContact C-N 3.25Å; V282-G284 PolarHBondContact O-N 2.77Å
283Q47.9Very low48.8Very low156 Ų15681.8 Ų81.873%0.72943%0.431SS*.THydrogen-bonded Turntrans-83.39.4178-67.5-176.5-9.100114.2M279 L280 S281M279-Q283 PolarHBondContact O-N 3.06Å; L280-Q283 PolarHBondContact O-N 2.59Å; S281-Q283 VanDerWaalsContact C-N 3.3Å; S281-Q283 PolarHBondContact O-N 3.24Å
284G38.1Very low49.3Very low68 Ų6875.5 Ų75.570%0.70141%0.408SS*.THydrogen-bonded Turntrans80.212.4175.500000115.2S281 V282S281-G284 PolarHBondContact O-N 2.73Å; V282-G284 VanDerWaalsContact C-N 3.25Å; V282-G284 PolarHBondContact O-N 2.77Å
285G46.6Very low49.8Very low44 Ų4474.6 Ų74.645%0.45440%0.402SS..  trans-68.9136.3170.400000111.5L287G285-L287 PolarHBondContact O-N 2.85Å; G285-L287 VanDerWaalsContact O-N 3.14Å
286E43.9Very low50.2Low150 Ų15069.9 Ų69.970%0.70138%0.377SS*.  trans-56120170.2-72.6-169.2173.300109.6K144 Q288K144-E286 IonicContact NZ-OE2 2.58Å; K144-E286 PolarHBondContact NZ-OE2 2.89Å; E286-Q288 PolarHBondContact O-N 3.01Å; E286-Q288 VanDerWaalsContact O-N 3.11Å
287L41.7Very low51Low152 Ų15267.2 Ų67.280%0.79637%0.366SS*.  trans-47.8112.3-175.9-82.3150.4000112.6G285G285-L287 PolarHBondContact O-N 2.85Å; G285-L287 VanDerWaalsContact O-N 3.14Å
288Q48.1Very low51.6Low67 Ų6766.4 Ų66.431%0.31336%0.363SS..  trans-86.1129.7156.9-73.5168.734.900108V141 W142 E286 C290V141-Q288 HydrophobicContact CG1-CB 4Å; V141-Q288 HydrophobicContact CG1-CG 4.38Å; W142-Q288 PolarHBondContact O-OE1 2.89Å; E286-Q288 PolarHBondContact O-N 3.01Å; E286-Q288 VanDerWaalsContact O-N 3.11Å; Q288-C290 PolarHBondContact O-N 3.46Å; Q288-C290 VanDerWaalsContact O-N 3.12Å
289C51.1Low52.2Low65 Ų6560.7 Ų60.744%0.43934%0.341SS..  trans-71106.5175.1-172.60000108.3V141V141-C289 WeakPolarHBondContact CG2-O 3.36Å
290C57.2Low52.9Low0 Ų054.6 Ų54.60%031%0.312CS..  trans-54.3139172.4175.10000109.3C274 H277 Q288 V292 D293 F294C274-C290 HydrophobicContact CB-CB 4.05Å; C274-C290 WeakPolarHBondContact CB-SG 3.4Å; H277-C290 HydrophobicContact CB-CB 3.93Å; H277-C290 WeakPolarHBondContact ND1-CB 3.38Å; H277-C290 PolarHBondContact ND1-SG 3.47Å; Q288-C290 PolarHBondContact O-N 3.46Å; Q288-C290 VanDerWaalsContact O-N 3.12Å; C290-V292 PolarHBondContact O-N 3.35Å; C290-V292 PolarHBondContact SG-N 3.07Å; C290-D293 HydrophobicContact CB-CB 3.95Å; C290-D293 CarbonylContact O-C 3.46Å; C290-D293 WeakPolarHBondContact O-CB 3.11Å; C290-D293 PolarHBondContact O-N 3.26Å; C290-F294 PolarHBondContact O-N 3.3Å
291P56.1Low53.9Low0 Ų055.7 Ų55.70%031%0.311CS..Hα-helixtrans-56-39.1177-33.348.3000112.2A139 V141 E154 C156 Y171 F294 V295A139-P291 VanDerWaalsContact CB-CA 3.49Å; A139-P291 HydrophobicContact CB-CB 3.21Å; A139-P291 HydrophobicContact CB-CG 3.49Å; A139-P291 VanDerWaalsContact CB-CG 3.49Å; V141-P291 VanDerWaalsContact CG2-CD 3.43Å; V141-P291 HydrophobicContact CG2-CG 3.85Å; E154-P291 HydrophobicContact CB-CB 4.44Å; E154-P291 HydrophobicContact CB-CG 3.51Å; E154-P291 HydrophobicContact CG-CG 4.47Å; E154-P291 WeakPolarHBondContact OE2-CD 3.46Å; E154-P291 VanDerWaalsContact OE2-CG 3.23Å; E154-P291 WeakPolarHBondContact OE2-CG 3.44Å; C156-P291 HydrophobicContact CB-CB 4.35Å; Y171-P291 HydrophobicContact CE2-CB 4.04Å; P291-F294 CarbonylContact O-C 3.59Å; P291-F294 PolarHBondContact O-N 2.78Å; P291-V295 WeakPolarHBondContact O-CB 3.12Å; P291-V295 WeakPolarHBondContact O-CG2 3.48Å; P291-V295 PolarHBondContact O-N 3.27Å
292V55.9Low55.1Low22 Ų2253.8 Ų53.813%0.13330%0.297CS..Hα-helixtrans-67.7-40.4178.3-179.40000110.6Y171 I272 C290 V295 S296Y171-V292 HydrophobicContact CD1-CG2 4.32Å; Y171-V292 HydrophobicContact CD2-CG2 3.98Å; Y171-V292 HydrophobicContact CE1-CG2 3.86Å; Y171-V292 HydrophobicContact CE2-CG2 3.49Å; Y171-V292 VanDerWaalsContact CE2-CG2 3.49Å; Y171-V292 HydrophobicContact CG-CG2 4.35Å; Y171-V292 VanDerWaalsContact CZ-CG2 3.4Å; I272-V292 HydrophobicContact CB-CG1 3.73Å; I272-V292 HydrophobicContact CD1-CG1 4.24Å; I272-V292 HydrophobicContact CG2-CG1 3.29Å; C290-V292 PolarHBondContact O-N 3.35Å; C290-V292 PolarHBondContact SG-N 3.07Å; V292-V295 PolarHBondContact O-N 3.43Å; V292-S296 WeakPolarHBondContact O-CB 3.46Å; V292-S296 PolarHBondContact O-N 3.3Å; V292-S296 PolarHBondContact O-OG 2.81Å
293D58.8Low55.9Low49 Ų4948.8 Ų48.826%0.26227%0.265SS..Hα-helixtrans-66.9-39.7173.8-69.69.5000110.8R273 C274 C290 S296 Y297R273-D293 VanDerWaalsContact CA-OD1 3.25Å; R273-D293 WeakPolarHBondContact CA-OD1 3.31Å; C274-D293 PolarHBondContact N-OD1 3.49Å; C290-D293 HydrophobicContact CB-CB 3.95Å; C290-D293 CarbonylContact O-C 3.46Å; C290-D293 WeakPolarHBondContact O-CB 3.11Å; C290-D293 PolarHBondContact O-N 3.26Å; D293-S296 WeakPolarHBondContact O-CB 3.41Å; D293-S296 PolarHBondContact O-N 3.12Å; D293-Y297 VanDerWaalsContact O-CB 3.25Å; D293-Y297 WeakPolarHBondContact O-CB 3.01Å; D293-Y297 PolarHBondContact O-N 2.82Å
294F60.2Low56.8Low11 Ų1144.7 Ų44.75%0.04825%0.248CC..Hα-helixtrans-66-42.5175-172.4-85.3000111.4Y137 P205 A237 C290 P291 S296 Y297 F298Y137-F294 HydrophobicContact CD1-CD1 4.39Å; Y137-F294 HydrophobicContact CD2-CD1 4.24Å; Y137-F294 AromaticContact CD2-CE1 3.9Å; Y137-F294 HydrophobicContact CD2-CE1 3.9Å; Y137-F294 HydrophobicContact CE1-CB 4.43Å; Y137-F294 AromaticContact CE1-CD1 3.48Å; Y137-F294 HydrophobicContact CE1-CD1 3.48Å; Y137-F294 VanDerWaalsContact CE1-CD1 3.48Å; Y137-F294 HydrophobicContact CE1-CE1 4.12Å; Y137-F294 HydrophobicContact CE1-CG 4.32Å; Y137-F294 AromaticContact CE2-CD1 3.37Å; Y137-F294 HydrophobicContact CE2-CD1 3.37Å; Y137-F294 AromaticContact CE2-CE1 3.1Å; Y137-F294 HydrophobicContact CE2-CE1 3.1Å; Y137-F294 HydrophobicContact CE2-CG 4.43Å; Y137-F294 HydrophobicContact CE2-CZ 4.1Å; Y137-F294 AromaticContact CZ-CD1 2.92Å; Y137-F294 AromaticContact CZ-CE1 3.26Å; Y137-F294 AromaticContact CZ-CG 3.74Å; Y137-F294 WeakPolarHBondContact OH-CD1 3.17Å; Y137-F294 VanDerWaalsContact OH-CE1 3.31Å; Y137-F294 WeakPolarHBondContact OH-CE1 3.49Å; Y137-F294 WeakPolarHBondContact OH-CG 3.21Å; P205-F294 HydrophobicContact CB-CD2 4.12Å; P205-F294 HydrophobicContact CB-CE2 3.51Å; P205-F294 HydrophobicContact CB-CZ 3.96Å; P205-F294 HydrophobicContact CG-CD2 4.2Å; P205-F294 HydrophobicContact CG-CE2 3.92Å; P205-F294 HydrophobicContact CG-CZ 4.18Å; A237-F294 HydrophobicContact CB-CE1 4.41Å; A237-F294 HydrophobicContact CB-CZ 3.82Å; C290-F294 PolarHBondContact O-N 3.3Å; P291-F294 CarbonylContact O-C 3.59Å; P291-F294 PolarHBondContact O-N 2.78Å; F294-S296 VanDerWaalsContact C-N 3.32Å; F294-Y297 HydrophobicContact CD2-CD1 4.37Å; F294-Y297 HydrophobicContact CE2-CD1 4.29Å; F294-Y297 HydrophobicContact CE2-CE1 4.41Å; F294-Y297 CarbonylContact O-C 3.59Å; F294-Y297 WeakPolarHBondContact O-CB 3.48Å; F294-Y297 PolarHBondContact O-N 3.27Å; F294-F298 HydrophobicContact CD1-CB 4.11Å; F294-F298 HydrophobicContact CE1-CB 4.02Å; F294-F298 HydrophobicContact CE1-CD2 4.02Å; F294-F298 HydrophobicContact CE1-CG 4.35Å; F294-F298 WeakPolarHBondContact O-CA 2.79Å; F294-F298 WeakPolarHBondContact O-CB 3.23Å; F294-F298 PolarHBondContact O-N 3.01Å
295V60.5Low58.1Low2 Ų244.7 Ų44.71%0.01223%0.228CC..Hα-helixtrans-61.9-45.1176.7169.80000109.6Y137 C156 P291 V292 Y297 F298 I299 F323Y137-V295 HydrophobicContact CD1-CG2 3.36Å; Y137-V295 HydrophobicContact CE1-CG2 3.49Å; Y137-V295 VanDerWaalsContact CE1-CG2 3.49Å; C156-V295 HydrophobicContact CB-CG2 3.62Å; C156-V295 WeakPolarHBondContact SG-CG2 3.38Å; P291-V295 WeakPolarHBondContact O-CB 3.12Å; P291-V295 WeakPolarHBondContact O-CG2 3.48Å; P291-V295 PolarHBondContact O-N 3.27Å; V292-V295 PolarHBondContact O-N 3.43Å; V295-Y297 VanDerWaalsContact C-N 3.33Å; V295-Y297 PolarHBondContact O-N 3.16Å; V295-F298 PolarHBondContact O-N 3.25Å; V295-I299 HydrophobicContact CG1-CD1 3.49Å; V295-I299 VanDerWaalsContact CG1-CD1 3.49Å; V295-I299 HydrophobicContact CG1-CG1 4.18Å; V295-I299 VanDerWaalsContact O-CB 3.27Å; V295-I299 WeakPolarHBondContact O-CB 3.44Å; V295-I299 WeakPolarHBondContact O-CG1 3.33Å; V295-I299 PolarHBondContact O-N 3.39Å; V295-F323 HydrophobicContact CG1-CE1 4.46Å; V295-F323 HydrophobicContact CG1-CZ 3.84Å
296S60Low58.9Low7 Ų742.7 Ų42.75%0.04921%0.207CC..Hα-helixtrans-59.6-45.2174.6-62.30000112.1P270 I272 V292 D293 F294 G300P270-S296 WeakPolarHBondContact O-CB 3.47Å; I272-S296 WeakPolarHBondContact CB-OG 3.22Å; I272-S296 VanDerWaalsContact CD1-OG 3.28Å; I272-S296 WeakPolarHBondContact CD1-OG 3.27Å; I272-S296 WeakPolarHBondContact CG1-OG 3.44Å; I272-S296 PolarHBondContact N-OG 3.22Å; I272-S296 PolarHBondContact O-OG 2.86Å; V292-S296 WeakPolarHBondContact O-CB 3.46Å; V292-S296 PolarHBondContact O-N 3.3Å; V292-S296 PolarHBondContact O-OG 2.81Å; D293-S296 WeakPolarHBondContact O-CB 3.41Å; D293-S296 PolarHBondContact O-N 3.12Å; F294-S296 VanDerWaalsContact C-N 3.32Å; S296-G300 WeakPolarHBondContact O-CA 3.3Å; S296-G300 PolarHBondContact O-N 3.41Å
297Y63.3Low60Low94 Ų9438.4 Ų38.437%0.36918%0.184SC..Hα-helixtrans-63.7-41.8174.6167.6-93.4000111.8D293 F294 V295 G300 R301D293-Y297 VanDerWaalsContact O-CB 3.25Å; D293-Y297 WeakPolarHBondContact O-CB 3.01Å; D293-Y297 PolarHBondContact O-N 2.82Å; F294-Y297 HydrophobicContact CD2-CD1 4.37Å; F294-Y297 HydrophobicContact CE2-CD1 4.29Å; F294-Y297 HydrophobicContact CE2-CE1 4.41Å; F294-Y297 CarbonylContact O-C 3.59Å; F294-Y297 WeakPolarHBondContact O-CB 3.48Å; F294-Y297 PolarHBondContact O-N 3.27Å; V295-Y297 VanDerWaalsContact C-N 3.33Å; V295-Y297 PolarHBondContact O-N 3.16Å; Y297-G300 PolarHBondContact O-N 2.75Å; Y297-R301 HydrophobicContact CD2-CG 4.34Å; Y297-R301 HydrophobicContact CE1-CG 4.4Å; Y297-R301 HydrophobicContact CE2-CG 4.14Å; Y297-R301 VanDerWaalsContact O-CB 3.29Å; Y297-R301 WeakPolarHBondContact O-CB 3.48Å; Y297-R301 WeakPolarHBondContact O-CG 3.38Å; Y297-R301 PolarHBondContact O-N 2.79Å; Y297-R301 PolarHBondContact OH-NE 3.4Å; Y297-R301 PolarHBondContact OH-NH1 3.4Å; Y297-R301 PolarHBondContact OH-NH2 2.94Å
298F64.5Low61.2Low6 Ų637.8 Ų37.83%0.02618%0.177CC..Hα-helixtrans-65.9-52.9-178.8-178.9-87.8000110.2F160 L203 A237 F240 F241 F294 V295 G300 R301 Y302F160-F298 HydrophobicContact CE1-CE1 4.43Å; L203-F298 HydrophobicContact CB-CE2 4.49Å; L203-F298 HydrophobicContact CD1-CD2 4.32Å; L203-F298 HydrophobicContact CD1-CE1 4.06Å; L203-F298 HydrophobicContact CD1-CE2 3.22Å; L203-F298 HydrophobicContact CD1-CZ 3.07Å; L203-F298 HydrophobicContact CG-CE2 4.48Å; A237-F298 HydrophobicContact CB-CD2 4.09Å; A237-F298 HydrophobicContact CB-CE2 4.03Å; F240-F298 HydrophobicContact CD1-CE2 4.03Å; F240-F298 AromaticContact CD1-CZ 3.65Å; F240-F298 HydrophobicContact CD1-CZ 3.65Å; F240-F298 AromaticContact CE1-CZ 3.9Å; F240-F298 HydrophobicContact CE1-CZ 3.9Å; F241-F298 HydrophobicContact CD2-CE2 4.4Å; F241-F298 HydrophobicContact CE1-CD2 4.11Å; F241-F298 HydrophobicContact CE1-CE1 4.28Å; F241-F298 AromaticContact CE1-CE2 3.63Å; F241-F298 HydrophobicContact CE1-CE2 3.63Å; F241-F298 AromaticContact CE1-CZ 3.7Å; F241-F298 HydrophobicContact CE1-CZ 3.7Å; F241-F298 AromaticContact CE2-CD2 3.53Å; F241-F298 HydrophobicContact CE2-CD2 3.53Å; F241-F298 AromaticContact CE2-CE2 3.49Å; F241-F298 HydrophobicContact CE2-CE2 3.49Å; F241-F298 VanDerWaalsContact CE2-CE2 3.49Å; F241-F298 HydrophobicContact CE2-CG 4.42Å; F241-F298 HydrophobicContact CE2-CZ 4.4Å; F241-F298 HydrophobicContact CZ-CB 4.38Å; F241-F298 HydrophobicContact CZ-CD1 4.2Å; F241-F298 AromaticContact CZ-CD2 3.14Å; F241-F298 HydrophobicContact CZ-CD2 3.14Å; F241-F298 HydrophobicContact CZ-CE1 4.16Å; F241-F298 AromaticContact CZ-CE2 3.04Å; F241-F298 HydrophobicContact CZ-CE2 3.04Å; F241-F298 AromaticContact CZ-CG 3.7Å; F241-F298 HydrophobicContact CZ-CG 3.7Å; F241-F298 AromaticContact CZ-CZ 3.58Å; F241-F298 HydrophobicContact CZ-CZ 3.58Å; F241-F298 VanDerWaalsContact CZ-O 3.31Å; F241-F298 WeakPolarHBondContact CZ-O 3.38Å; F294-F298 HydrophobicContact CD1-CB 4.11Å; F294-F298 HydrophobicContact CE1-CB 4.02Å; F294-F298 HydrophobicContact CE1-CD2 4.02Å; F294-F298 HydrophobicContact CE1-CG 4.35Å; F294-F298 WeakPolarHBondContact O-CA 2.79Å; F294-F298 WeakPolarHBondContact O-CB 3.23Å; F294-F298 PolarHBondContact O-N 3.01Å; V295-F298 PolarHBondContact O-N 3.25Å; F298-G300 VanDerWaalsContact C-N 3.33Å; F298-G300 PolarHBondContact O-N 3.04Å; F298-R301 PolarHBondContact O-N 3.17Å; F298-Y302 VanDerWaalsContact O-CB 3.29Å; F298-Y302 WeakPolarHBondContact O-CB 3.25Å; F298-Y302 PolarHBondContact O-N 3.24Å
299I62.2Low62Low5 Ų535.2 Ų35.23%0.02617%0.167CC..Hα-helixtrans-59.6-46.2175.1-68173000110T158 V166 P270 V295 R301 Y302 F303 P319 F323T158-I299 HydrophobicContact CG2-CD1 4.24Å; V166-I299 HydrophobicContact CG2-CD1 3.98Å; V166-I299 HydrophobicContact CG2-CG1 4.26Å; P270-I299 HydrophobicContact CG-CG2 4.11Å; V295-I299 HydrophobicContact CG1-CD1 3.49Å; V295-I299 VanDerWaalsContact CG1-CD1 3.49Å; V295-I299 HydrophobicContact CG1-CG1 4.18Å; V295-I299 VanDerWaalsContact O-CB 3.27Å; V295-I299 WeakPolarHBondContact O-CB 3.44Å; V295-I299 WeakPolarHBondContact O-CG1 3.33Å; V295-I299 PolarHBondContact O-N 3.39Å; I299-R301 PolarHBondContact O-N 3.24Å; I299-Y302 WeakPolarHBondContact O-CB 3.28Å; I299-Y302 PolarHBondContact O-N 3.17Å; I299-F303 HydrophobicContact CG2-CD2 3.67Å; I299-F303 HydrophobicContact CG2-CE2 3.69Å; I299-F303 VanDerWaalsContact O-CD2 3.25Å; I299-F303 WeakPolarHBondContact O-CD2 3.16Å; I299-F303 PolarHBondContact O-N 3.09Å; I299-P319 HydrophobicContact CG2-CB 4.45Å; I299-F323 HydrophobicContact CD1-CE2 3.53Å; I299-F323 HydrophobicContact CD1-CZ 3.72Å
300G62.9Low62.7Low4 Ų432.3 Ų32.34%0.04115%0.147CC..Hα-helixtrans-60.6-45.5178.300000112.7S296 Y297 F298 N304S296-G300 WeakPolarHBondContact O-CA 3.3Å; S296-G300 PolarHBondContact O-N 3.41Å; Y297-G300 PolarHBondContact O-N 2.75Å; F298-G300 VanDerWaalsContact C-N 3.33Å; F298-G300 PolarHBondContact O-N 3.04Å; G300-N304 VanDerWaalsContact O-CB 3.29Å; G300-N304 WeakPolarHBondContact O-CB 3.44Å; G300-N304 PolarHBondContact O-N 3.07Å; G300-N304 PolarHBondContact O-ND2 3.36Å
301R65.8Low63Low100 Ų10036.2 Ų36.238%0.37717%0.173SC..Hα-helixtrans-64.5-45.7174.6-78.1-151.6174.8-163.77.5111.5F241 Y297 F298 I299 F303 N304 Y305F241-R301 HydrophobicContact CE2-CB 4.24Å; F241-R301 HydrophobicContact CZ-CB 4.04Å; Y297-R301 HydrophobicContact CD2-CG 4.34Å; Y297-R301 HydrophobicContact CE1-CG 4.4Å; Y297-R301 HydrophobicContact CE2-CG 4.14Å; Y297-R301 VanDerWaalsContact O-CB 3.29Å; Y297-R301 WeakPolarHBondContact O-CB 3.48Å; Y297-R301 WeakPolarHBondContact O-CG 3.38Å; Y297-R301 PolarHBondContact O-N 2.79Å; Y297-R301 PolarHBondContact OH-NE 3.4Å; Y297-R301 PolarHBondContact OH-NH1 3.4Å; Y297-R301 PolarHBondContact OH-NH2 2.94Å; F298-R301 PolarHBondContact O-N 3.17Å; I299-R301 PolarHBondContact O-N 3.24Å; R301-F303 PolarHBondContact O-N 3.34Å; R301-N304 PolarHBondContact O-N 2.93Å; R301-Y305 HydrophobicContact CB-CD2 4.21Å; R301-Y305 HydrophobicContact CB-CE2 4Å; R301-Y305 WeakPolarHBondContact O-CB 3.05Å; R301-Y305 WeakPolarHBondContact O-CD2 3.47Å; R301-Y305 PolarHBondContact O-N 3.49Å
302Y66.4Low63.2Low6 Ų641.9 Ų41.92%0.02420%0.203CC..Hα-helixtrans-50.5-56.3176.5-179.2-99.8000111.6F160 F240 F241 L244 F298 I299 N304 Y305 L306F160-Y302 HydrophobicContact CD2-CE1 4.45Å; F160-Y302 HydrophobicContact CD2-CE2 4.08Å; F160-Y302 AromaticContact CD2-CZ 3.74Å; F160-Y302 WeakPolarHBondContact CD2-OH 3.42Å; F160-Y302 HydrophobicContact CE1-CE2 4.36Å; F160-Y302 AromaticContact CE2-CE2 3.6Å; F160-Y302 HydrophobicContact CE2-CE2 3.6Å; F160-Y302 AromaticContact CE2-CZ 3.66Å; F160-Y302 VanDerWaalsContact CE2-OH 3.32Å; F160-Y302 WeakPolarHBondContact CE2-OH 3.25Å; F160-Y302 HydrophobicContact CZ-CD2 4.47Å; F160-Y302 AromaticContact CZ-CE2 3.74Å; F160-Y302 HydrophobicContact CZ-CE2 3.74Å; F240-Y302 HydrophobicContact CE1-CD2 4.16Å; F240-Y302 HydrophobicContact CE1-CE2 4.32Å; F240-Y302 HydrophobicContact CZ-CE2 4.47Å; F241-Y302 HydrophobicContact CE1-CD2 4.22Å; L244-Y302 HydrophobicContact CD1-CE2 4.48Å; L244-Y302 HydrophobicContact CD2-CD2 3.45Å; L244-Y302 VanDerWaalsContact CD2-CD2 3.45Å; L244-Y302 HydrophobicContact CD2-CE2 3.19Å; L244-Y302 HydrophobicContact CG-CE2 4.44Å; F298-Y302 VanDerWaalsContact O-CB 3.29Å; F298-Y302 WeakPolarHBondContact O-CB 3.25Å; F298-Y302 PolarHBondContact O-N 3.24Å; I299-Y302 WeakPolarHBondContact O-CB 3.28Å; I299-Y302 PolarHBondContact O-N 3.17Å; Y302-N304 PolarHBondContact O-N 3.32Å; Y302-Y305 PolarHBondContact O-N 3.27Å; Y302-L306 HydrophobicContact CD1-CD1 3.84Å; Y302-L306 HydrophobicContact CE1-CD1 3.26Å; Y302-L306 HydrophobicContact CE1-CG 4.25Å; Y302-L306 HydrophobicContact CE2-CD1 4.38Å; Y302-L306 WeakPolarHBondContact O-CG 3.36Å; Y302-L306 PolarHBondContact O-N 3.4Å
303F63.8Low63.2Low16 Ų1641.5 Ų41.57%0.0720%0.201CC..Hα-helixtrans-68.2-36.9-178.8-78.2-68.8000112.9I299 R301 Y305 L306 R307 F315 P319I299-F303 HydrophobicContact CG2-CD2 3.67Å; I299-F303 HydrophobicContact CG2-CE2 3.69Å; I299-F303 VanDerWaalsContact O-CD2 3.25Å; I299-F303 WeakPolarHBondContact O-CD2 3.16Å; I299-F303 PolarHBondContact O-N 3.09Å; R301-F303 PolarHBondContact O-N 3.34Å; F303-Y305 VanDerWaalsContact C-N 3.31Å; F303-Y305 PolarHBondContact O-N 3.5Å; F303-L306 PolarHBondContact O-N 3.37Å; F303-R307 VanDerWaalsContact O-CG 3.28Å; F303-R307 WeakPolarHBondContact O-CG 3.14Å; F303-R307 PolarHBondContact O-N 2.94Å; F303-F315 HydrophobicContact CD1-CB 4.45Å; F303-F315 HydrophobicContact CE1-CB 4.22Å; F303-P319 HydrophobicContact CD2-CG 4.46Å; F303-P319 HydrophobicContact CE2-CB 4.38Å; F303-P319 HydrophobicContact CE2-CG 3.4Å; F303-P319 VanDerWaalsContact CE2-CG 3.4Å; F303-P319 HydrophobicContact CZ-CG 3.55Å
304N65.3Low63Low70 Ų7039.5 Ų39.537%0.37419%0.191SC..Hα-helixtrans-63.5-38.1174.4-75.5-22.7000112G300 R301 Y302 R307 Q308G300-N304 VanDerWaalsContact O-CB 3.29Å; G300-N304 WeakPolarHBondContact O-CB 3.44Å; G300-N304 PolarHBondContact O-N 3.07Å; G300-N304 PolarHBondContact O-ND2 3.36Å; R301-N304 PolarHBondContact O-N 2.93Å; Y302-N304 PolarHBondContact O-N 3.32Å; N304-R307 PolarHBondContact O-N 2.7Å; N304-R307 PolarHBondContact OD1-NH1 3.14Å; N304-R307 VanDerWaalsContact OD1-NH1 3.1Å; N304-Q308 WeakPolarHBondContact O-CG 3.1Å; N304-Q308 PolarHBondContact O-N 3.14Å; N304-Q308 VanDerWaalsContact O-N 3.14Å
305Y65.8Low62.8Low69 Ų6939.3 Ų39.327%0.27119%0.191SC..Hα-helixtrans-66.9-46.3175.1-78.2-58.3000112F241 R301 Y302 F303 R307 Q308 A309F241-Y305 HydrophobicContact CB-CD2 4.17Å; F241-Y305 HydrophobicContact CB-CE2 3.99Å; F241-Y305 HydrophobicContact CD1-CD2 4.04Å; F241-Y305 HydrophobicContact CD1-CE2 4.37Å; F241-Y305 HydrophobicContact CD2-CE2 4.41Å; F241-Y305 HydrophobicContact CG-CD2 4.13Å; F241-Y305 HydrophobicContact CG-CE2 4.02Å; R301-Y305 HydrophobicContact CB-CD2 4.21Å; R301-Y305 HydrophobicContact CB-CE2 4Å; R301-Y305 WeakPolarHBondContact O-CB 3.05Å; R301-Y305 WeakPolarHBondContact O-CD2 3.47Å; R301-Y305 PolarHBondContact O-N 3.49Å; Y302-Y305 PolarHBondContact O-N 3.27Å; F303-Y305 VanDerWaalsContact C-N 3.31Å; F303-Y305 PolarHBondContact O-N 3.5Å; Y305-R307 PolarHBondContact O-N 3.26Å; Y305-Q308 WeakPolarHBondContact O-CB 3.23Å; Y305-Q308 PolarHBondContact O-N 3.08Å; Y305-A309 PolarHBondContact O-N 2.92Å
306L64.1Low62.2Low2 Ų241.6 Ų41.61%0.0121%0.21CC..Hα-helixtrans-57.5-39.4176.6-75.1-177.4000112L162 L244 V248 Y302 F303 A309 L310 F315L162-L306 HydrophobicContact CD1-CD1 3.85Å; L162-L306 HydrophobicContact CD1-CD2 3.71Å; L162-L306 HydrophobicContact CD1-CG 4.46Å; L244-L306 HydrophobicContact CD2-CD2 4.36Å; V248-L306 HydrophobicContact CG2-CD2 3.97Å; Y302-L306 HydrophobicContact CD1-CD1 3.84Å; Y302-L306 HydrophobicContact CE1-CD1 3.26Å; Y302-L306 HydrophobicContact CE1-CG 4.25Å; Y302-L306 HydrophobicContact CE2-CD1 4.38Å; Y302-L306 WeakPolarHBondContact O-CG 3.36Å; Y302-L306 PolarHBondContact O-N 3.4Å; F303-L306 PolarHBondContact O-N 3.37Å; L306-A309 PolarHBondContact O-N 3.24Å; L306-L310 WeakPolarHBondContact O-CA 3.34Å; L306-L310 WeakPolarHBondContact O-CB 3.11Å; L306-L310 PolarHBondContact O-N 3.14Å; L306-F315 HydrophobicContact CB-CD2 4.46Å; L306-F315 HydrophobicContact CB-CE1 4.06Å; L306-F315 HydrophobicContact CB-CE2 3.79Å; L306-F315 HydrophobicContact CB-CZ 3.57Å; L306-F315 HydrophobicContact CD1-CD1 4.05Å; L306-F315 HydrophobicContact CD1-CE1 3.78Å; L306-F315 HydrophobicContact CD1-CZ 4.18Å; L306-F315 HydrophobicContact CD2-CE1 4.43Å; L306-F315 HydrophobicContact CD2-CZ 4.42Å; L306-F315 HydrophobicContact CG-CE1 4.33Å; L306-F315 HydrophobicContact CG-CZ 4.28Å
307R65.7Low61.6Low60 Ų6043.2 Ų43.223%0.22622%0.22CC..Hα-helixtrans-64.2-37.5173.8-72172.3-172.2152.91113.5E266 F303 N304 Y305 A309 L310 P311E266-R307 PolarHBondContact O-NH2 3.11Å; F303-R307 VanDerWaalsContact O-CG 3.28Å; F303-R307 WeakPolarHBondContact O-CG 3.14Å; F303-R307 PolarHBondContact O-N 2.94Å; N304-R307 PolarHBondContact O-N 2.7Å; N304-R307 PolarHBondContact OD1-NH1 3.14Å; N304-R307 VanDerWaalsContact OD1-NH1 3.1Å; Y305-R307 PolarHBondContact O-N 3.26Å; R307-A309 VanDerWaalsContact C-N 3.34Å; R307-L310 CarbonylContact O-C 3.55Å; R307-P311 VanDerWaalsContact O-CA 3.28Å; R307-P311 WeakPolarHBondContact O-CA 3.39Å
308Q67Low60.7Low139 Ų13945.4 Ų45.465%0.6523%0.228SC*.Hα-helixtrans-67.4-37.7176.9-73.3176.30.600111.7N304 Y305N304-Q308 WeakPolarHBondContact O-CG 3.1Å; N304-Q308 PolarHBondContact O-N 3.14Å; N304-Q308 VanDerWaalsContact O-N 3.14Å; Y305-Q308 WeakPolarHBondContact O-CB 3.23Å; Y305-Q308 PolarHBondContact O-N 3.08Å
309A65.6Low59.9Low13 Ų1345.2 Ų45.211%0.10723%0.228CC..Hα-helixtrans-82.1-31.6-179.500000113V248 E249 Y305 L306 R307V248-A309 HydrophobicContact CB-CB 4.41Å; V248-A309 HydrophobicContact CG1-CB 3.68Å; E249-A309 HydrophobicContact CG-CB 4.43Å; Y305-A309 PolarHBondContact O-N 2.92Å; L306-A309 PolarHBondContact O-N 3.24Å; R307-A309 VanDerWaalsContact C-N 3.34Å
310L64.8Low59Low3 Ų346.6 Ų46.62%0.01624%0.235CC..  trans-13371-176.3-58.8173000110.3V248 R252 L255 F259 L306 R307 D312 V313 F315V248-L310 HydrophobicContact CG1-CD1 3.6Å; V248-L310 HydrophobicContact CG1-CD2 4.03Å; V248-L310 HydrophobicContact CG1-CG 3.58Å; R252-L310 HydrophobicContact CB-CD2 4.41Å; R252-L310 HydrophobicContact CG-CD2 3.78Å; L255-L310 HydrophobicContact CD1-CD1 4.46Å; F259-L310 HydrophobicContact CE2-CD1 3.8Å; F259-L310 HydrophobicContact CZ-CD1 4.27Å; L306-L310 WeakPolarHBondContact O-CA 3.34Å; L306-L310 WeakPolarHBondContact O-CB 3.11Å; L306-L310 PolarHBondContact O-N 3.14Å; R307-L310 CarbonylContact O-C 3.55Å; L310-D312 PolarHBondContact O-N 3.3Å; L310-V313 HydrophobicContact CB-CB 3.85Å; L310-V313 HydrophobicContact CB-CG1 4.48Å; L310-V313 HydrophobicContact CB-CG2 3.98Å; L310-V313 HydrophobicContact CD2-CG2 4.45Å; L310-V313 PolarHBondContact O-N 2.91Å; L310-F315 HydrophobicContact CB-CE2 4.4Å; L310-F315 HydrophobicContact CB-CZ 3.97Å; L310-F315 HydrophobicContact CD1-CE1 4.26Å; L310-F315 HydrophobicContact CD1-CZ 3.77Å; L310-F315 HydrophobicContact CG-CZ 4.46Å
311P64.7Low58Low82 Ų8249.5 Ų49.553%0.53226%0.258SS..THydrogen-bonded Turntrans-66.4-24.2-175.726.2-34.5000113.5R307R307-P311 VanDerWaalsContact O-CA 3.28Å; R307-P311 WeakPolarHBondContact O-CA 3.39Å
312D60.5Low56.8Low119 Ų11949.9 Ų49.964%0.63626%0.261SS*.THydrogen-bonded Turntrans-99.17.3-172.8-45.5-56.2000113R252 L310R252-D312 IonicContact NH2-OD2 2.93Å; R252-D312 PolarHBondContact NH2-OD2 3.39Å; L310-D312 PolarHBondContact O-N 3.3Å
313V56.4Low55.7Low15 Ų1550.4 Ų50.49%0.09126%0.263CS..  trans-110.8125.2-174.2162.20000110.3F259 L310 F315F259-V313 HydrophobicContact CB-CB 4.33Å; F259-V313 HydrophobicContact CB-CG1 3.41Å; F259-V313 VanDerWaalsContact CB-CG1 3.41Å; F259-V313 HydrophobicContact CB-CG2 4.19Å; F259-V313 HydrophobicContact CD1-CG1 3.64Å; F259-V313 HydrophobicContact CD2-CB 4.41Å; F259-V313 HydrophobicContact CD2-CG1 3.48Å; F259-V313 VanDerWaalsContact CD2-CG1 3.48Å; F259-V313 HydrophobicContact CD2-CG2 4.05Å; F259-V313 HydrophobicContact CE1-CG1 4.13Å; F259-V313 HydrophobicContact CE2-CG1 3.99Å; F259-V313 HydrophobicContact CG-CB 4.43Å; F259-V313 HydrophobicContact CG-CG1 3.25Å; F259-V313 HydrophobicContact CG-CG2 4.39Å; F259-V313 HydrophobicContact CZ-CG1 4.25Å; L310-V313 HydrophobicContact CB-CB 3.85Å; L310-V313 HydrophobicContact CB-CG1 4.48Å; L310-V313 HydrophobicContact CB-CG2 3.98Å; L310-V313 HydrophobicContact CD2-CG2 4.45Å; L310-V313 PolarHBondContact O-N 2.91Å; V313-F315 HydrophobicContact CB-CE2 4.47Å; V313-F315 HydrophobicContact CB-CZ 4.39Å; V313-F315 HydrophobicContact CG1-CD1 4.43Å; V313-F315 HydrophobicContact CG1-CE1 3.98Å; V313-F315 HydrophobicContact CG1-CE2 4.07Å; V313-F315 HydrophobicContact CG1-CZ 3.77Å
314G53.8Low54.7Low6 Ų656.2 Ų56.26%0.06229%0.288CS..  trans-76.3119.9170.900000111.8A263A263-G314 WeakPolarHBondContact O-CA 3.42Å
315F55.1Low53.5Low7 Ų759.2 Ų59.23%0.03130%0.3CS..  trans-93.8118.7171.2-62.1-79.5000109.4L162 F259 F303 L306 L310 V313 C317L162-F315 HydrophobicContact CD1-CE1 4.46Å; F259-F315 AromaticContact CE1-CD1 3.95Å; F259-F315 HydrophobicContact CE1-CD1 3.95Å; F259-F315 AromaticContact CE1-CE1 3.77Å; F259-F315 HydrophobicContact CE1-CE1 3.77Å; F259-F315 HydrophobicContact CZ-CD1 4.37Å; F259-F315 AromaticContact CZ-CE1 3.73Å; F259-F315 HydrophobicContact CZ-CE1 3.73Å; F303-F315 HydrophobicContact CD1-CB 4.45Å; F303-F315 HydrophobicContact CE1-CB 4.22Å; L306-F315 HydrophobicContact CB-CD2 4.46Å; L306-F315 HydrophobicContact CB-CE1 4.06Å; L306-F315 HydrophobicContact CB-CE2 3.79Å; L306-F315 HydrophobicContact CB-CZ 3.57Å; L306-F315 HydrophobicContact CD1-CD1 4.05Å; L306-F315 HydrophobicContact CD1-CE1 3.78Å; L306-F315 HydrophobicContact CD1-CZ 4.18Å; L306-F315 HydrophobicContact CD2-CE1 4.43Å; L306-F315 HydrophobicContact CD2-CZ 4.42Å; L306-F315 HydrophobicContact CG-CE1 4.33Å; L306-F315 HydrophobicContact CG-CZ 4.28Å; L310-F315 HydrophobicContact CB-CE2 4.4Å; L310-F315 HydrophobicContact CB-CZ 3.97Å; L310-F315 HydrophobicContact CD1-CE1 4.26Å; L310-F315 HydrophobicContact CD1-CZ 3.77Å; L310-F315 HydrophobicContact CG-CZ 4.46Å; V313-F315 HydrophobicContact CB-CE2 4.47Å; V313-F315 HydrophobicContact CB-CZ 4.39Å; V313-F315 HydrophobicContact CG1-CD1 4.43Å; V313-F315 HydrophobicContact CG1-CE1 3.98Å; V313-F315 HydrophobicContact CG1-CE2 4.07Å; V313-F315 HydrophobicContact CG1-CZ 3.77Å; F315-C317 PolarHBondContact O-N 3.19Å; F315-C317 VanDerWaalsContact O-N 3.12Å
316A48.4Very low52.2Low50 Ų5058 Ų5841%0.41330%0.301SS..  trans-62.8114.4178.800000110.9R318A316-R318 PolarHBondContact O-N 3.45Å
317C46.8Very low50.7Low41 Ų4161.7 Ų61.728%0.27732%0.324SS..  trans-79.196-178.3-110.40000112.1E266 F315 P319E266-C317 HydrophobicContact CB-CB 3.78Å; E266-C317 WeakPolarHBondContact CB-SG 3.21Å; E266-C317 WeakPolarHBondContact OE2-CB 3.5Å; F315-C317 PolarHBondContact O-N 3.19Å; F315-C317 VanDerWaalsContact O-N 3.12Å; C317-P319 VanDerWaalsContact C-CD 3.42Å
318R45.7Very low49.2Very low141 Ų14166.5 Ų66.553%0.53235%0.349SS..  trans-90.6-14.8151.7-74.9-167.3-178.2146.912.8117.3E164 A316 L320 A321E164-R318 IonicContact OE1-CZ 3.43Å; E164-R318 IonicContact OE1-NH1 2.62Å; E164-R318 PolarHBondContact OE1-NH1 3.11Å; E164-R318 IonicContact OE1-NH2 3.55Å; E164-R318 PolarHBondContact OE1-NH2 3.45Å; E164-R318 IonicContact OE2-NH1 2.85Å; A316-R318 PolarHBondContact O-N 3.45Å; R318-L320 PolarHBondContact O-N 3Å; R318-A321 PolarHBondContact O-N 3.15Å
319P47.4Very low47.5Very low2 Ų267.9 Ų67.91%0.01336%0.356CS..Hα-helixtrans-58.9-29.4-172.8-21.329.3000114.4V166 I299 F303 C317 F323V166-P319 HydrophobicContact CB-CG 4.49Å; V166-P319 HydrophobicContact CG2-CB 4.3Å; V166-P319 HydrophobicContact CG2-CG 4.21Å; I299-P319 HydrophobicContact CG2-CB 4.45Å; F303-P319 HydrophobicContact CD2-CG 4.46Å; F303-P319 HydrophobicContact CE2-CB 4.38Å; F303-P319 HydrophobicContact CE2-CG 3.4Å; F303-P319 VanDerWaalsContact CE2-CG 3.4Å; F303-P319 HydrophobicContact CZ-CG 3.55Å; C317-P319 VanDerWaalsContact C-CD 3.42Å; P319-F323 WeakPolarHBondContact O-CD2 3.43Å
320L42.5Very low45.9Very low34 Ų3478.8 Ų78.818%0.17839%0.394CS..Hα-helixtrans-79.5-28.8-171.1-76150.1000114.8E266 A268 R318 K324E266-L320 HydrophobicContact CB-CD1 4.19Å; E266-L320 HydrophobicContact CG-CD1 4.45Å; E266-L320 WeakPolarHBondContact OE2-CD1 3.46Å; A268-L320 HydrophobicContact CB-CD1 3.82Å; A268-L320 HydrophobicContact CB-CD2 3.84Å; A268-L320 HydrophobicContact CB-CG 4.44Å; R318-L320 PolarHBondContact O-N 3Å; L320-K324 WeakPolarHBondContact O-CB 3.47Å; L320-K324 PolarHBondContact O-N 3.14Å
321A42.5Very low44.9Very low65 Ų6582.6 Ų82.654%0.53741%0.413SS..Hα-helixtrans-71.5-43.9-179.200000111.5R318 F323 K324 E325R318-A321 PolarHBondContact O-N 3.15Å; A321-F323 PolarHBondContact O-N 3.47Å; A321-K324 PolarHBondContact O-N 3.26Å; A321-E325 PolarHBondContact O-N 3.36Å
322Y40.9Very low43.9Very low108 Ų10882.6 Ų82.642%0.42441%0.407SS..Hα-helixtrans-62.1-43.2-178.8-169-87.1000112.2C169 S326C169-Y322 HydrophobicContact CB-CD1 3.65Å; C169-Y322 HydrophobicContact CB-CE1 3.41Å; C169-Y322 VanDerWaalsContact CB-CE1 3.41Å; C169-Y322 HydrophobicContact CB-CG 4.41Å; C169-Y322 PolarHBondContact O-OH 3.35Å; Y322-S326 PolarHBondContact O-N 3.43Å; Y322-S326 PolarHBondContact O-OG 2.62Å
323F43Very low43Very low17 Ų1780.6 Ų80.68%0.07539%0.394CS..Hα-helixtrans-76.5-30.9-178.1-68.7-61.6000113.5P270 I272 V295 I299 P319 A321 S326 T327P270-F323 HydrophobicContact CB-CD2 4.15Å; P270-F323 HydrophobicContact CG-CD2 4.17Å; P270-F323 HydrophobicContact CG-CE2 4.4Å; I272-F323 HydrophobicContact CD1-CB 3.88Å; I272-F323 HydrophobicContact CD1-CD1 3.07Å; I272-F323 HydrophobicContact CD1-CD2 3.61Å; I272-F323 HydrophobicContact CD1-CE1 3.27Å; I272-F323 HydrophobicContact CD1-CE2 3.84Å; I272-F323 HydrophobicContact CD1-CG 3.23Å; I272-F323 HydrophobicContact CD1-CZ 3.67Å; I272-F323 HydrophobicContact CG1-CB 4.25Å; I272-F323 HydrophobicContact CG1-CD1 4.24Å; I272-F323 HydrophobicContact CG1-CG 4.1Å; V295-F323 HydrophobicContact CG1-CE1 4.46Å; V295-F323 HydrophobicContact CG1-CZ 3.84Å; I299-F323 HydrophobicContact CD1-CE2 3.53Å; I299-F323 HydrophobicContact CD1-CZ 3.72Å; P319-F323 WeakPolarHBondContact O-CD2 3.43Å; A321-F323 PolarHBondContact O-N 3.47Å; F323-S326 WeakPolarHBondContact CA-OG 3.5Å; F323-S326 PolarHBondContact O-N 3.24Å; F323-S326 PolarHBondContact O-OG 3.19Å; F323-T327 PolarHBondContact O-N 2.84Å; F323-T327 VanDerWaalsContact O-N 3.08Å; F323-T327 PolarHBondContact O-OG1 3.39Å
324K43Very low42.2Very low138 Ų13884.5 Ų84.560%0.641%0.412SS*.Hα-helixtrans-61.5-47.1173.3-89.6-176172.3-178.30112.3L320 A321 S326 T327 E328L320-K324 WeakPolarHBondContact O-CB 3.47Å; L320-K324 PolarHBondContact O-N 3.14Å; A321-K324 PolarHBondContact O-N 3.26Å; K324-S326 VanDerWaalsContact C-N 3.3Å; K324-S326 PolarHBondContact O-N 3.17Å; K324-T327 PolarHBondContact O-N 3.36Å; K324-T327 PolarHBondContact O-OG1 3.36Å; K324-E328 WeakPolarHBondContact O-CG 3.34Å; K324-E328 PolarHBondContact O-N 3.45Å
325E40.5Very low41.5Very low133 Ų13389.4 Ų89.462%0.62143%0.434SS*.Hα-helixtrans-63.1-37.2177.8-72.5179.8174.800111.8A321 T327 E328A321-E325 PolarHBondContact O-N 3.36Å; E325-T327 PolarHBondContact O-N 3.32Å; E325-E328 PolarHBondContact O-N 3.5Å
326S37.1Very low40.6Very low42 Ų4294.9 Ų94.929%0.29446%0.461SS..Hα-helixtrans-72.5-24.6178.3700000114.2Y322 F323 K324Y322-S326 PolarHBondContact O-N 3.43Å; Y322-S326 PolarHBondContact O-OG 2.62Å; F323-S326 WeakPolarHBondContact CA-OG 3.5Å; F323-S326 PolarHBondContact O-N 3.24Å; F323-S326 PolarHBondContact O-OG 3.19Å; K324-S326 VanDerWaalsContact C-N 3.3Å; K324-S326 PolarHBondContact O-N 3.17Å
327T33.9Very low40Very low81 Ų8198.1 Ų98.150%0.49746%0.464SS..Hα-helixtrans-85.6-18.4176.545.30000113.6I272 F323 K324 E325 Q329I272-T327 HydrophobicContact CG2-CG2 4.45Å; F323-T327 PolarHBondContact O-N 2.84Å; F323-T327 VanDerWaalsContact O-N 3.08Å; F323-T327 PolarHBondContact O-OG1 3.39Å; K324-T327 PolarHBondContact O-N 3.36Å; K324-T327 PolarHBondContact O-OG1 3.36Å; E325-T327 PolarHBondContact O-N 3.32Å; T327-Q329 VanDerWaalsContact C-N 3.33Å
328E33Very low39.5Very low160 Ų160102.5 Ų102.575%0.74848%0.479SS*.THydrogen-bonded Turntrans-86.4-4.8178.3-71.7176.9-17800113K324 E325K324-E328 WeakPolarHBondContact O-CG 3.34Å; K324-E328 PolarHBondContact O-N 3.45Å; E325-E328 PolarHBondContact O-N 3.5Å
329Q32.3Very low39Very low168 Ų16899.3 Ų99.379%0.78547%0.474SS*.THydrogen-bonded Turntrans-106.111.1179.6-68.6-174.10.500114.6T327T327-Q329 VanDerWaalsContact C-N 3.33Å
330W31.6Very low38.2Very low243 Ų243108.1 Ų108.192%0.9252%0.516SS*.  trans-114.90177.4-72.272.8000112.7Y173Y173-W330 AromaticContact CE2-CH2 3.84Å; Y173-W330 HydrophobicContact CE2-CH2 3.84Å; Y173-W330 HydrophobicContact CE2-CZ2 4.33Å

Retrieved 330 of 330 residues in 507.9 ms (Link to these results)

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