A0A077Z8I1_TRITR Loading...

Protein Supt3

AlphaFold DB , UniProt , Accession A0A077Z8I1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 472 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
1M70.4Confident89Confident141 Ų14143.5 Ų43.570%0.69523%0.231SC*.  0129.80-163.6170.1-148.200106.2Y6M1-Y6 HydrophobicContact SD-CD2 4.13Å; M1-Y6 HydrophobicContact SD-CG 4.48Å
2D87.4Confident89.3Confident94 Ų9446.2 Ų46.250%0.50324%0.235SC..  trans-62.9135.2174.5176.567.2000109.3E4 D5 Y6D2-E4 PolarHBondContact O-N 3.1Å; D2-E4 WeakPolarHBondContact OD2-CB 3.37Å; D2-E4 PolarHBondContact OD2-N 3.17Å; D2-D5 HydrophobicContact CB-CB 4.09Å; D2-D5 PolarHBondContact O-N 3.22Å; D2-D5 PolarHBondContact OD2-N 3.39Å; D2-Y6 WeakPolarHBondContact O-CB 3.47Å; D2-Y6 PolarHBondContact O-N 3.48Å
3P87.4Confident89.5Confident32 Ų3244.3 Ų44.321%0.20823%0.229CC..Hα-helixtrans-60.3-31.9-174.8-2433.8000113.4C7 W189 H192P3-C7 PolarHBondContact O-N 2.97Å; P3-W189 HydrophobicContact CB-CB 4.29Å; P3-W189 VanDerWaalsContact O-CD1 3.3Å; P3-H192 HydrophobicContact CB-CB 4.02Å; P3-H192 HydrophobicContact CG-CB 4.41Å
4E88.9Confident89.6Confident40 Ų4041.2 Ų41.219%0.18721%0.213CC..Hα-helixtrans-71-49.5178.8-17464.4-168.400110.6D2 Y6 C7 L8 K33D2-E4 PolarHBondContact O-N 3.1Å; D2-E4 WeakPolarHBondContact OD2-CB 3.37Å; D2-E4 PolarHBondContact OD2-N 3.17Å; E4-Y6 VanDerWaalsContact C-N 3.29Å; E4-Y6 PolarHBondContact O-N 2.98Å; E4-C7 PolarHBondContact O-N 3.45Å; E4-C7 VanDerWaalsContact O-N 3.13Å; E4-L8 HydrophobicContact CG-CD1 4.07Å; E4-L8 WeakPolarHBondContact O-CG 3.29Å; E4-L8 PolarHBondContact O-N 2.92Å; E4-K33 WeakPolarHBondContact OE1-CD 3.19Å; E4-K33 WeakPolarHBondContact OE1-CE 3.42Å; E4-K33 IonicContact OE1-NZ 2.81Å; E4-K33 PolarHBondContact OE1-NZ 3.37Å; E4-K33 WeakPolarHBondContact OE2-CE 3.35Å; E4-K33 IonicContact OE2-NZ 3.13Å; E4-K33 PolarHBondContact OE2-NZ 3.46Å
5D90.1Very high89.7Confident77 Ų7738.5 Ų38.541%0.41220%0.199SC..Hα-helixtrans-59.5-38.7176.2-17749.5000112.7D2 T9D2-D5 HydrophobicContact CB-CB 4.09Å; D2-D5 PolarHBondContact O-N 3.22Å; D2-D5 PolarHBondContact OD2-N 3.39Å; D5-T9 VanDerWaalsContact O-CB 3.23Å; D5-T9 WeakPolarHBondContact O-CB 3.4Å; D5-T9 PolarHBondContact O-N 2.67Å; D5-T9 PolarHBondContact O-OG1 3.35Å
6Y90.9Very high89.7Confident7 Ų736.6 Ų36.63%0.02719%0.189CC..Hα-helixtrans-57.8-48.6173.4160.9-99.5000112.1M1 D2 E4 T10 F176 A181 N185 F186 W189M1-Y6 HydrophobicContact SD-CD2 4.13Å; M1-Y6 HydrophobicContact SD-CG 4.48Å; D2-Y6 WeakPolarHBondContact O-CB 3.47Å; D2-Y6 PolarHBondContact O-N 3.48Å; E4-Y6 VanDerWaalsContact C-N 3.29Å; E4-Y6 PolarHBondContact O-N 2.98Å; Y6-T10 WeakPolarHBondContact O-CB 3.48Å; Y6-T10 PolarHBondContact O-N 3.27Å; Y6-T10 VanDerWaalsContact O-N 3.11Å; Y6-T10 PolarHBondContact O-OG1 2.88Å; Y6-F176 HydrophobicContact CE1-CD1 4.45Å; Y6-F176 WeakPolarHBondContact OH-CA 3.1Å; Y6-F176 PolarHBondContact OH-O 2.59Å; Y6-A181 HydrophobicContact CE2-CB 3.68Å; Y6-N185 HydrophobicContact CD2-CB 3.98Å; Y6-N185 HydrophobicContact CE1-CB 4.43Å; Y6-N185 HydrophobicContact CE2-CB 3.86Å; Y6-N185 HydrophobicContact CG-CB 4.31Å; Y6-F186 HydrophobicContact CE1-CB 4.49Å; Y6-F186 HydrophobicContact CE1-CD2 4.38Å; Y6-W189 HydrophobicContact CD1-CB 4.03Å; Y6-W189 HydrophobicContact CE1-CB 4.19Å
7C91.9Very high89.5Confident0 Ų035 Ų350%018%0.182CC..Hα-helixtrans-67.1-48.6-179.1-177.20000111.2P3 E4 T9 T10 L11 W189P3-C7 PolarHBondContact O-N 2.97Å; E4-C7 PolarHBondContact O-N 3.45Å; E4-C7 VanDerWaalsContact O-N 3.13Å; C7-T9 VanDerWaalsContact C-N 3.35Å; C7-T9 PolarHBondContact O-N 2.96Å; C7-T10 PolarHBondContact O-N 3.43Å; C7-L11 WeakPolarHBondContact O-CB 3.21Å; C7-L11 WeakPolarHBondContact O-CG 3.48Å; C7-L11 PolarHBondContact O-N 3.37Å; C7-W189 HydrophobicContact CB-CD2 4.2Å; C7-W189 HydrophobicContact CB-CG 4.09Å; C7-W189 HydrophobicContact CB-CZ2 4.36Å; C7-W189 VanDerWaalsContact CB-NE1 3.31Å; C7-W189 WeakPolarHBondContact SG-CZ2 3.32Å; C7-W189 PolarHBondContact SG-NE1 2.91Å
8L92.8Very high89.1Confident32 Ų3234.6 Ų34.617%0.16818%0.182CC..Hα-helixtrans-61.8-41.3-178.7-67.6175.9000112E4 L11 R12 L29 L30 K33E4-L8 HydrophobicContact CG-CD1 4.07Å; E4-L8 WeakPolarHBondContact O-CG 3.29Å; E4-L8 PolarHBondContact O-N 2.92Å; L8-L11 PolarHBondContact O-N 3.43Å; L8-R12 VanDerWaalsContact O-CB 3.31Å; L8-R12 WeakPolarHBondContact O-CB 3.44Å; L8-R12 PolarHBondContact O-N 2.95Å; L8-L29 HydrophobicContact CB-CD2 4.25Å; L8-L29 HydrophobicContact CD2-CD2 4.02Å; L8-L29 HydrophobicContact CD2-CG 3.91Å; L8-L30 HydrophobicContact CD2-CD2 4.16Å; L8-K33 HydrophobicContact CD2-CD 3.99Å
9T92Very high88.7Confident45 Ų4534.2 Ų34.228%0.27619%0.188SC..Hα-helixtrans-66.6-38.1176.8-63.60000112.2D5 C7 S13D5-T9 VanDerWaalsContact O-CB 3.23Å; D5-T9 WeakPolarHBondContact O-CB 3.4Å; D5-T9 PolarHBondContact O-N 2.67Å; D5-T9 PolarHBondContact O-OG1 3.35Å; C7-T9 VanDerWaalsContact C-N 3.35Å; C7-T9 PolarHBondContact O-N 2.96Å; T9-S13 PolarHBondContact O-N 3.3Å; T9-S13 PolarHBondContact O-OG 3.33Å
10T93Very high88.4Confident10 Ų1034.8 Ų34.86%0.06119%0.19CC..Hα-helixtrans-66.8-47.9175.6-56.20000110.7Y6 C7 S13 I14 V174 F176Y6-T10 WeakPolarHBondContact O-CB 3.48Å; Y6-T10 PolarHBondContact O-N 3.27Å; Y6-T10 VanDerWaalsContact O-N 3.11Å; Y6-T10 PolarHBondContact O-OG1 2.88Å; C7-T10 PolarHBondContact O-N 3.43Å; T10-S13 WeakPolarHBondContact O-CB 3.4Å; T10-S13 PolarHBondContact O-N 2.59Å; T10-I14 HydrophobicContact CG2-CD1 3.97Å; T10-I14 WeakPolarHBondContact O-CG1 3.36Å; T10-I14 PolarHBondContact O-N 3.45Å; T10-V174 HydrophobicContact CG2-CG1 4.02Å; T10-F176 HydrophobicContact CG2-CD1 3.66Å; T10-F176 HydrophobicContact CG2-CE1 3.75Å; T10-F176 HydrophobicContact CG2-CG 4.09Å; T10-F176 HydrophobicContact CG2-CZ 4.26Å
11L93.8Very high88.2Confident0 Ų037.1 Ų37.10%021%0.206CC..Hα-helixtrans-62.5-43.2178.7-74.7177.7000112.2C7 L8 S13 I14 M15 L29 L32 K33 L36 F176 A218C7-L11 WeakPolarHBondContact O-CB 3.21Å; C7-L11 WeakPolarHBondContact O-CG 3.48Å; C7-L11 PolarHBondContact O-N 3.37Å; L8-L11 PolarHBondContact O-N 3.43Å; L11-S13 VanDerWaalsContact C-N 3.26Å; L11-S13 PolarHBondContact O-N 3.15Å; L11-I14 HydrophobicContact CD2-CD1 4.48Å; L11-I14 PolarHBondContact O-N 3.48Å; L11-I14 VanDerWaalsContact O-N 3.09Å; L11-M15 VanDerWaalsContact O-CG 3.25Å; L11-M15 WeakPolarHBondContact O-CG 3.48Å; L11-M15 PolarHBondContact O-N 3.29Å; L11-L29 HydrophobicContact CB-CD1 3.59Å; L11-L32 HydrophobicContact CD2-CD2 4.03Å; L11-L32 HydrophobicContact CD2-CG 4.22Å; L11-K33 HydrophobicContact CD1-CB 3.65Å; L11-K33 HydrophobicContact CD1-CG 4Å; L11-L36 HydrophobicContact CD2-CD2 3.95Å; L11-F176 HydrophobicContact CD2-CZ 3.87Å; L11-F176 HydrophobicContact CG-CZ 4.36Å; L11-A218 HydrophobicContact CD2-CB 4.1Å
12R93.2Very high88.8Confident76 Ų7633.5 Ų33.529%0.28719%0.189SC..Hα-helixtrans-53.2-45.9173.3-177.2-179.3-56.1110.81.3111.6L8 M15 F16 L22 P24 L29L8-R12 VanDerWaalsContact O-CB 3.31Å; L8-R12 WeakPolarHBondContact O-CB 3.44Å; L8-R12 PolarHBondContact O-N 2.95Å; R12-M15 PolarHBondContact O-N 3.33Å; R12-F16 WeakPolarHBondContact O-CB 3.38Å; R12-F16 PolarHBondContact O-N 2.93Å; R12-L22 WeakPolarHBondContact CD-O 3.46Å; R12-L22 WeakPolarHBondContact CG-O 3.31Å; R12-P24 HydrophobicContact CG-CG 4.31Å; R12-L29 HydrophobicContact CB-CD1 4.45Å
13S91.6Very high88.8Confident22 Ų2234.8 Ų34.815%0.15420%0.196CC..Hα-helixtrans-66.1-40.7178.2-54.80000112T9 T10 L11 F16 A17T9-S13 PolarHBondContact O-N 3.3Å; T9-S13 PolarHBondContact O-OG 3.33Å; T10-S13 WeakPolarHBondContact O-CB 3.4Å; T10-S13 PolarHBondContact O-N 2.59Å; L11-S13 VanDerWaalsContact C-N 3.26Å; L11-S13 PolarHBondContact O-N 3.15Å; S13-F16 PolarHBondContact O-N 3.32Å; S13-A17 VanDerWaalsContact O-CB 3.31Å; S13-A17 WeakPolarHBondContact O-CB 3.33Å; S13-A17 PolarHBondContact O-N 2.81Å
14I90.9Very high88.8Confident1 Ų133.8 Ų33.81%0.00519%0.189CC..Hα-helixtrans-63.6-46.7176.4-67.3167.5000110.6T10 L11 F16 A17 C18 F176 Y215 A218T10-I14 HydrophobicContact CG2-CD1 3.97Å; T10-I14 WeakPolarHBondContact O-CG1 3.36Å; T10-I14 PolarHBondContact O-N 3.45Å; L11-I14 HydrophobicContact CD2-CD1 4.48Å; L11-I14 PolarHBondContact O-N 3.48Å; L11-I14 VanDerWaalsContact O-N 3.09Å; I14-F16 VanDerWaalsContact C-N 3.34Å; I14-F16 PolarHBondContact O-N 3.13Å; I14-A17 PolarHBondContact O-N 2.67Å; I14-A17 VanDerWaalsContact O-N 3.14Å; I14-C18 WeakPolarHBondContact O-CB 3.33Å; I14-C18 PolarHBondContact O-N 3.19Å; I14-C18 PolarHBondContact O-SG 2.91Å; I14-F176 HydrophobicContact CD1-CD2 4.41Å; I14-F176 HydrophobicContact CD1-CE2 3.83Å; I14-F176 HydrophobicContact CD1-CZ 4.11Å; I14-Y215 HydrophobicContact CD1-CD2 3.76Å; I14-Y215 HydrophobicContact CD1-CE2 4.26Å; I14-Y215 HydrophobicContact CG1-CD2 4Å; I14-Y215 HydrophobicContact CG1-CE2 3.96Å; I14-Y215 HydrophobicContact CG2-CE2 4.47Å; I14-A218 HydrophobicContact CG2-CB 4.33Å
15M91.1Very high88.6Confident0 Ų037 Ų370%021%0.207CC..Hα-helixtrans-57.6-48177.2-68.517569.700110.9L11 R12 A17 C18 G19 D20 P24 T28 L29 L32 M222L11-M15 VanDerWaalsContact O-CG 3.25Å; L11-M15 WeakPolarHBondContact O-CG 3.48Å; L11-M15 PolarHBondContact O-N 3.29Å; R12-M15 PolarHBondContact O-N 3.33Å; M15-A17 VanDerWaalsContact C-N 3.34Å; M15-A17 PolarHBondContact O-N 3.44Å; M15-C18 PolarHBondContact O-N 2.94Å; M15-G19 PolarHBondContact O-N 2.96Å; M15-G19 VanDerWaalsContact O-N 3.13Å; M15-D20 HydrophobicContact CB-CB 4.04Å; M15-D20 WeakPolarHBondContact CE-OD2 3.48Å; M15-D20 WeakPolarHBondContact O-CB 3.49Å; M15-D20 PolarHBondContact O-N 3.31Å; M15-P24 HydrophobicContact CE-CB 3.48Å; M15-P24 VanDerWaalsContact CE-CB 3.48Å; M15-P24 HydrophobicContact CE-CG 3.82Å; M15-P24 HydrophobicContact SD-CB 4.27Å; M15-P24 HydrophobicContact SD-CG 3.92Å; M15-T28 HydrophobicContact CE-CG2 3.8Å; M15-L29 HydrophobicContact SD-CB 4.36Å; M15-L29 HydrophobicContact SD-CD1 3.51Å; M15-L29 VanDerWaalsContact SD-CD1 3.51Å; M15-L32 HydrophobicContact CG-CD2 3.44Å; M15-L32 VanDerWaalsContact CG-CD2 3.44Å; M15-L32 HydrophobicContact SD-CD2 3.62Å; M15-M222 HydrophobicContact CB-CE 4.16Å; M15-M222 HydrophobicContact CB-SD 4.33Å; M15-M222 HydrophobicContact CE-SD 4.4Å; M15-M222 HydrophobicContact CG-CE 4.18Å; M15-M222 HydrophobicContact CG-CG 4.4Å; M15-M222 HydrophobicContact CG-SD 3.72Å
16F89.3Confident88.6Confident9 Ų937.4 Ų37.44%0.03921%0.213CC..Hα-helixtrans-62.2-40.3175.6-175.2-123.8000112.2R12 S13 I14 C18 G19 D20 L22 R156 E167 L168 A171R12-F16 WeakPolarHBondContact O-CB 3.38Å; R12-F16 PolarHBondContact O-N 2.93Å; S13-F16 PolarHBondContact O-N 3.32Å; I14-F16 VanDerWaalsContact C-N 3.34Å; I14-F16 PolarHBondContact O-N 3.13Å; F16-C18 VanDerWaalsContact C-N 3.34Å; F16-C18 PolarHBondContact O-N 3.16Å; F16-G19 PolarHBondContact O-N 2.89Å; F16-D20 VanDerWaalsContact CD2-O 3.23Å; F16-D20 WeakPolarHBondContact CD2-O 3.37Å; F16-L22 HydrophobicContact CB-CD1 4.34Å; F16-L22 HydrophobicContact CD1-CD1 3.52Å; F16-L22 VanDerWaalsContact CD2-CA 3.4Å; F16-L22 HydrophobicContact CD2-CB 3.85Å; F16-L22 HydrophobicContact CD2-CD1 4.21Å; F16-L22 VanDerWaalsContact CD2-N 3.31Å; F16-L22 HydrophobicContact CE1-CD1 3.75Å; F16-L22 HydrophobicContact CE2-CB 3.88Å; F16-L22 HydrophobicContact CE2-CD1 4.44Å; F16-L22 HydrophobicContact CG-CB 4.26Å; F16-L22 HydrophobicContact CG-CD1 3.77Å; F16-L22 HydrophobicContact CZ-CB 4.29Å; F16-L22 HydrophobicContact CZ-CD1 4.23Å; F16-R156 VanDerWaalsContact CE2-NH2 3.27Å; F16-R156 PolarHBondContact O-NH1 3.04Å; F16-E167 HydrophobicContact CE1-CB 4.07Å; F16-L168 HydrophobicContact CD1-CD1 4.28Å; F16-L168 VanDerWaalsContact CE1-CA 3.46Å; F16-L168 HydrophobicContact CE1-CB 3.85Å; F16-L168 HydrophobicContact CE1-CD1 4.15Å; F16-L168 HydrophobicContact CZ-CB 4.13Å; F16-L168 HydrophobicContact CZ-CD1 4.44Å; F16-L168 WeakPolarHBondContact O-CD1 3.45Å; F16-A171 HydrophobicContact CD1-CB 3.66Å; F16-A171 HydrophobicContact CE1-CB 4.44Å
17A86.9Confident88.4Confident9 Ų943.4 Ų43.47%0.07424%0.241CC..Hα-helixtrans-65.4-35.6177.100000113S13 I14 M15 A171 R172S13-A17 VanDerWaalsContact O-CB 3.31Å; S13-A17 WeakPolarHBondContact O-CB 3.33Å; S13-A17 PolarHBondContact O-N 2.81Å; I14-A17 PolarHBondContact O-N 2.67Å; I14-A17 VanDerWaalsContact O-N 3.14Å; M15-A17 VanDerWaalsContact C-N 3.34Å; M15-A17 PolarHBondContact O-N 3.44Å; A17-A171 HydrophobicContact CB-CB 4.21Å; A17-R172 HydrophobicContact CB-CG 4Å
18C82.5Confident88.1Confident27 Ų2746.3 Ų46.318%0.18226%0.259CS..Hα-helixtrans-76.2-25.9-179.6-75.50000113.6I14 M15 F16 M222 I226I14-C18 WeakPolarHBondContact O-CB 3.33Å; I14-C18 PolarHBondContact O-N 3.19Å; I14-C18 PolarHBondContact O-SG 2.91Å; M15-C18 PolarHBondContact O-N 2.94Å; F16-C18 VanDerWaalsContact C-N 3.34Å; F16-C18 PolarHBondContact O-N 3.16Å; C18-M222 HydrophobicContact CB-CB 3.64Å; C18-M222 HydrophobicContact CB-CE 4.5Å; C18-M222 HydrophobicContact CB-CG 4.11Å; C18-I226 VanDerWaalsContact C-CD1 3.45Å; C18-I226 HydrophobicContact CB-CD1 3.97Å; C18-I226 WeakPolarHBondContact O-CD1 3.34Å
19G81.1Confident88Confident28 Ų2845.2 Ų45.229%0.28925%0.253SS..THydrogen-bonded Turntrans145.5-12177.400000115.6M15 F16 R156M15-G19 PolarHBondContact O-N 2.96Å; M15-G19 VanDerWaalsContact O-N 3.13Å; F16-G19 PolarHBondContact O-N 2.89Å; G19-R156 VanDerWaalsContact CA-NH1 3.26Å; G19-R156 VanDerWaalsContact O-CZ 3.31Å
20D83.6Confident88Confident45 Ų4547.2 Ų47.224%0.24126%0.262CS..SBendtrans-73.4169.5179.4-155-9.2000111.9M15 F16 R156 M222M15-D20 HydrophobicContact CB-CB 4.04Å; M15-D20 WeakPolarHBondContact CE-OD2 3.48Å; M15-D20 WeakPolarHBondContact O-CB 3.49Å; M15-D20 PolarHBondContact O-N 3.31Å; F16-D20 VanDerWaalsContact CD2-O 3.23Å; F16-D20 WeakPolarHBondContact CD2-O 3.37Å; D20-R156 PolarHBondContact O-NH1 2.97Å; D20-R156 PolarHBondContact O-NH2 3.06Å; D20-M222 HydrophobicContact CB-CE 3.91Å
21V83.7Confident87.8Confident84 Ų8452.7 Ų52.751%0.50929%0.29SS..  trans-66.3156.4173.7-63.80000112D23V21-D23 VanDerWaalsContact C-N 3.26Å; V21-D23 WeakPolarHBondContact CG2-O 3.44Å; V21-D23 PolarHBondContact O-N 2.61Å
22L83.8Confident87.7Confident66 Ų6653.1 Ų53.135%0.34629%0.292SS..SBendtrans-59.9-38.5-175.9-178.665.7000112.3R12 F16 P24R12-L22 WeakPolarHBondContact CD-O 3.46Å; R12-L22 WeakPolarHBondContact CG-O 3.31Å; F16-L22 HydrophobicContact CB-CD1 4.34Å; F16-L22 HydrophobicContact CD1-CD1 3.52Å; F16-L22 VanDerWaalsContact CD2-CA 3.4Å; F16-L22 HydrophobicContact CD2-CB 3.85Å; F16-L22 HydrophobicContact CD2-CD1 4.21Å; F16-L22 VanDerWaalsContact CD2-N 3.31Å; F16-L22 HydrophobicContact CE1-CD1 3.75Å; F16-L22 HydrophobicContact CE2-CB 3.88Å; F16-L22 HydrophobicContact CE2-CD1 4.44Å; F16-L22 HydrophobicContact CG-CB 4.26Å; F16-L22 HydrophobicContact CG-CD1 3.77Å; F16-L22 HydrophobicContact CZ-CB 4.29Å; F16-L22 HydrophobicContact CZ-CD1 4.23Å; L22-P24 VanDerWaalsContact O-CD 3.31Å; L22-P24 WeakPolarHBondContact O-CD 3.5Å
23D86.1Confident87.7Confident121 Ų12150.8 Ų50.865%0.64728%0.284SS*.SBendtrans-113.584.6175.9-68.3-48.5000109.1V21V21-D23 VanDerWaalsContact C-N 3.26Å; V21-D23 WeakPolarHBondContact CG2-O 3.44Å; V21-D23 PolarHBondContact O-N 2.61Å
24P87.4Confident87.7Confident10 Ų1053 Ų537%0.06530%0.3CS..  trans-66.8158.8179.430.1-34.6000110.6R12 M15 L22 L29R12-P24 HydrophobicContact CG-CG 4.31Å; M15-P24 HydrophobicContact CE-CB 3.48Å; M15-P24 VanDerWaalsContact CE-CB 3.48Å; M15-P24 HydrophobicContact CE-CG 3.82Å; M15-P24 HydrophobicContact SD-CB 4.27Å; M15-P24 HydrophobicContact SD-CG 3.92Å; L22-P24 VanDerWaalsContact O-CD 3.31Å; L22-P24 WeakPolarHBondContact O-CD 3.5Å; P24-L29 HydrophobicContact CG-CB 4.41Å
25I85.8Confident87.7Confident109 Ų10954.5 Ų54.556%0.55931%0.313SS*.  trans-53.9128.3174.5-63.9173.3000108.8E27 T28 L29I25-E27 HydrophobicContact CG2-CB 4.21Å; I25-E27 WeakPolarHBondContact CG2-OE2 3.45Å; I25-E27 PolarHBondContact O-N 3.06Å; I25-T28 WeakPolarHBondContact O-CB 3.4Å; I25-T28 PolarHBondContact O-N 3.12Å; I25-L29 PolarHBondContact O-N 2.62Å; I25-L29 VanDerWaalsContact O-N 3.09Å
26P88.7Confident87.8Confident84 Ų8454.5 Ų54.555%0.54531%0.313SS..Hα-helixtrans-54.5-37.8-175.5-2835.2000113.6L29 L30P26-L29 PolarHBondContact O-N 3.31Å; P26-L30 WeakPolarHBondContact O-CB 3.35Å; P26-L30 VanDerWaalsContact O-CG 3.3Å; P26-L30 WeakPolarHBondContact O-CG 3.34Å; P26-L30 PolarHBondContact O-N 3.47Å
27E86.3Confident88Confident133 Ų13356.3 Ų56.362%0.62132%0.321SS*.Hα-helixtrans-63.3-40.7177.3-66.274.2-166.100112I25 L30 L31I25-E27 HydrophobicContact CG2-CB 4.21Å; I25-E27 WeakPolarHBondContact CG2-OE2 3.45Å; I25-E27 PolarHBondContact O-N 3.06Å; E27-L30 PolarHBondContact O-N 3.4Å; E27-L31 WeakPolarHBondContact O-CB 3.31Å; E27-L31 PolarHBondContact O-N 2.83Å
28T86.9Confident88.3Confident61 Ų6161 Ų6137%0.37434%0.341SS..Hα-helixtrans-66.2-42.7176.1-54.40000111M15 I25 L30 L31 L32M15-T28 HydrophobicContact CE-CG2 3.8Å; I25-T28 WeakPolarHBondContact O-CB 3.4Å; I25-T28 PolarHBondContact O-N 3.12Å; T28-L30 VanDerWaalsContact C-N 3.35Å; T28-L30 PolarHBondContact O-N 2.82Å; T28-L31 PolarHBondContact O-N 3.32Å; T28-L32 PolarHBondContact O-N 3.04Å
29L90.6Very high88.8Confident9 Ų963.2 Ų63.25%0.04735%0.349CS..Hα-helixtrans-61.9-42.9176.6-178.563.8000111.5L8 L11 R12 M15 P24 I25 P26 L32 K33L8-L29 HydrophobicContact CB-CD2 4.25Å; L8-L29 HydrophobicContact CD2-CD2 4.02Å; L8-L29 HydrophobicContact CD2-CG 3.91Å; L11-L29 HydrophobicContact CB-CD1 3.59Å; R12-L29 HydrophobicContact CB-CD1 4.45Å; M15-L29 HydrophobicContact SD-CB 4.36Å; M15-L29 HydrophobicContact SD-CD1 3.51Å; M15-L29 VanDerWaalsContact SD-CD1 3.51Å; P24-L29 HydrophobicContact CG-CB 4.41Å; I25-L29 PolarHBondContact O-N 2.62Å; I25-L29 VanDerWaalsContact O-N 3.09Å; P26-L29 PolarHBondContact O-N 3.31Å; L29-L32 PolarHBondContact O-N 3.39Å; L29-K33 WeakPolarHBondContact O-CB 3.48Å; L29-K33 PolarHBondContact O-N 3.09Å
30L90.9Very high89.4Confident88 Ų8861.9 Ų61.946%0.46134%0.335SS..Hα-helixtrans-68-35.7176.1-70.6169000112.3L8 P26 E27 T28 K33 S34L8-L30 HydrophobicContact CD2-CD2 4.16Å; P26-L30 WeakPolarHBondContact O-CB 3.35Å; P26-L30 VanDerWaalsContact O-CG 3.3Å; P26-L30 WeakPolarHBondContact O-CG 3.34Å; P26-L30 PolarHBondContact O-N 3.47Å; E27-L30 PolarHBondContact O-N 3.4Å; T28-L30 VanDerWaalsContact C-N 3.35Å; T28-L30 PolarHBondContact O-N 2.82Å; L30-K33 WeakPolarHBondContact O-CB 3.28Å; L30-K33 PolarHBondContact O-N 3.43Å; L30-S34 WeakPolarHBondContact O-CB 3.26Å; L30-S34 PolarHBondContact O-N 2.9Å
31L89.9Confident89.8Confident124 Ų12462.3 Ų62.365%0.64934%0.338SS*.Hα-helixtrans-64.6-46.3174.6-175.864.9000111.2E27 T28 K33 S34 A35E27-L31 WeakPolarHBondContact O-CB 3.31Å; E27-L31 PolarHBondContact O-N 2.83Å; T28-L31 PolarHBondContact O-N 3.32Å; L31-K33 VanDerWaalsContact C-N 3.31Å; L31-K33 PolarHBondContact O-N 3.34Å; L31-S34 PolarHBondContact O-N 3.49Å; L31-A35 WeakPolarHBondContact O-CB 3.34Å; L31-A35 PolarHBondContact O-N 2.83Å
32L91.8Very high90.2Very high9 Ų964.9 Ų64.95%0.04734%0.338CS..Hα-helixtrans-60.1-43.417517961.5000111.1L11 M15 T28 L29 A35 L36 I221 M222L11-L32 HydrophobicContact CD2-CD2 4.03Å; L11-L32 HydrophobicContact CD2-CG 4.22Å; M15-L32 HydrophobicContact CG-CD2 3.44Å; M15-L32 VanDerWaalsContact CG-CD2 3.44Å; M15-L32 HydrophobicContact SD-CD2 3.62Å; T28-L32 PolarHBondContact O-N 3.04Å; L29-L32 PolarHBondContact O-N 3.39Å; L32-A35 PolarHBondContact O-N 2.93Å; L32-L36 VanDerWaalsContact O-CB 3.32Å; L32-L36 WeakPolarHBondContact O-CB 3.33Å; L32-L36 PolarHBondContact O-N 3.16Å; L32-I221 HydrophobicContact CD1-CB 3.91Å; L32-I221 HydrophobicContact CD1-CD1 4.02Å; L32-I221 HydrophobicContact CD1-CG2 3.62Å; L32-M222 HydrophobicContact CD2-CG 4.4Å; L32-M222 HydrophobicContact CD2-SD 4.06Å
33K93.7Very high90.7Very high27 Ų2762.2 Ų62.212%0.11733%0.325CS..Hα-helixtrans-58-49.4175-171.3-159.5133.8-174.60111.3E4 L8 L11 L29 L30 L31 L36 Q37E4-K33 WeakPolarHBondContact OE1-CD 3.19Å; E4-K33 WeakPolarHBondContact OE1-CE 3.42Å; E4-K33 IonicContact OE1-NZ 2.81Å; E4-K33 PolarHBondContact OE1-NZ 3.37Å; E4-K33 WeakPolarHBondContact OE2-CE 3.35Å; E4-K33 IonicContact OE2-NZ 3.13Å; E4-K33 PolarHBondContact OE2-NZ 3.46Å; L8-K33 HydrophobicContact CD2-CD 3.99Å; L11-K33 HydrophobicContact CD1-CB 3.65Å; L11-K33 HydrophobicContact CD1-CG 4Å; L29-K33 WeakPolarHBondContact O-CB 3.48Å; L29-K33 PolarHBondContact O-N 3.09Å; L30-K33 WeakPolarHBondContact O-CB 3.28Å; L30-K33 PolarHBondContact O-N 3.43Å; L31-K33 VanDerWaalsContact C-N 3.31Å; L31-K33 PolarHBondContact O-N 3.34Å; K33-L36 PolarHBondContact O-N 2.9Å; K33-Q37 VanDerWaalsContact O-CG 3.3Å; K33-Q37 WeakPolarHBondContact O-CG 3.36Å; K33-Q37 PolarHBondContact O-N 2.91Å
34S91.5Very high91.1Very high68 Ų6856.4 Ų56.448%0.47629%0.294SS..Hα-helixtrans-63.4-41.7179.7-172.90000112L30 L31 Q37 H38L30-S34 WeakPolarHBondContact O-CB 3.26Å; L30-S34 PolarHBondContact O-N 2.9Å; L31-S34 PolarHBondContact O-N 3.49Å; S34-Q37 PolarHBondContact O-N 2.73Å; S34-H38 WeakPolarHBondContact O-CB 3.29Å; S34-H38 PolarHBondContact O-N 3.22Å
35A90Very high91.3Very high34 Ų3458.1 Ų58.128%0.28130%0.301SS..Hα-helixtrans-63.3-45.3176.400000111.1L31 L32 Q37 H38 Q39 I221L31-A35 WeakPolarHBondContact O-CB 3.34Å; L31-A35 PolarHBondContact O-N 2.83Å; L32-A35 PolarHBondContact O-N 2.93Å; A35-Q37 PolarHBondContact O-N 3.06Å; A35-H38 PolarHBondContact O-N 3.36Å; A35-Q39 WeakPolarHBondContact O-CG 3.46Å; A35-Q39 PolarHBondContact O-N 3.31Å; A35-I221 HydrophobicContact CB-CD1 3.98Å
36L93.7Very high91.6Very high0 Ų054.2 Ų54.20%029%0.285CS..Hα-helixtrans-60.1-46.9176.3176.762.2000111.8L11 L32 K33 H38 Q39 L40 F176 W189 A214 I217L11-L36 HydrophobicContact CD2-CD2 3.95Å; L32-L36 VanDerWaalsContact O-CB 3.32Å; L32-L36 WeakPolarHBondContact O-CB 3.33Å; L32-L36 PolarHBondContact O-N 3.16Å; K33-L36 PolarHBondContact O-N 2.9Å; L36-H38 VanDerWaalsContact C-N 3.32Å; L36-H38 PolarHBondContact O-N 3.33Å; L36-Q39 PolarHBondContact O-N 3.48Å; L36-L40 HydrophobicContact CD1-CD1 4.03Å; L36-L40 HydrophobicContact CD1-CG 3.99Å; L36-L40 HydrophobicContact CG-CD1 4.02Å; L36-L40 HydrophobicContact CG-CG 4.38Å; L36-L40 WeakPolarHBondContact O-CB 3.41Å; L36-L40 WeakPolarHBondContact O-CG 3.35Å; L36-L40 PolarHBondContact O-N 2.68Å; L36-F176 HydrophobicContact CD2-CE1 4.42Å; L36-F176 HydrophobicContact CD2-CE2 4.09Å; L36-F176 HydrophobicContact CD2-CZ 3.55Å; L36-W189 HydrophobicContact CD2-CH2 3.98Å; L36-W189 HydrophobicContact CG-CH2 4.26Å; L36-A214 HydrophobicContact CD1-CB 4.11Å; L36-A214 WeakPolarHBondContact CD1-O 3.22Å; L36-I217 HydrophobicContact CD1-CB 3.97Å; L36-I217 HydrophobicContact CD1-CG2 3.81Å
37Q93.4Very high91.8Very high47 Ų4750.2 Ų50.222%0.2226%0.259CS..Hα-helixtrans-57.2-46.3177-74.7173.7-2900111.6K33 S34 A35 L40 L41 W189 V193K33-Q37 VanDerWaalsContact O-CG 3.3Å; K33-Q37 WeakPolarHBondContact O-CG 3.36Å; K33-Q37 PolarHBondContact O-N 2.91Å; S34-Q37 PolarHBondContact O-N 2.73Å; A35-Q37 PolarHBondContact O-N 3.06Å; Q37-L40 PolarHBondContact O-N 3.09Å; Q37-L41 WeakPolarHBondContact O-CB 3.5Å; Q37-L41 PolarHBondContact O-N 3.16Å; Q37-W189 HydrophobicContact CG-CH2 4.44Å; Q37-W189 HydrophobicContact CG-CZ2 3.91Å; Q37-V193 HydrophobicContact CG-CB 4.4Å; Q37-V193 HydrophobicContact CG-CG1 4.19Å
38H92Very high92.1Very high106 Ų10648 Ų4849%0.49125%0.249SC..Hα-helixtrans-63.3-44.3179.3-173.477.9000112.1S34 A35 L36 L41 R42S34-H38 WeakPolarHBondContact O-CB 3.29Å; S34-H38 PolarHBondContact O-N 3.22Å; A35-H38 PolarHBondContact O-N 3.36Å; L36-H38 VanDerWaalsContact C-N 3.32Å; L36-H38 PolarHBondContact O-N 3.33Å; H38-L41 PolarHBondContact O-N 3.24Å; H38-R42 WeakPolarHBondContact O-CG 3.35Å; H38-R42 PolarHBondContact O-N 3.27Å
39Q92.8Very high92.2Very high74 Ų7451.3 Ų51.335%0.34625%0.254SS..Hα-helixtrans-67.7-38.2178.4-65.9-61.1-11.400112.4A35 L36 R42 C43 I217A35-Q39 WeakPolarHBondContact O-CG 3.46Å; A35-Q39 PolarHBondContact O-N 3.31Å; L36-Q39 PolarHBondContact O-N 3.48Å; Q39-R42 PolarHBondContact O-N 3.03Å; Q39-C43 WeakPolarHBondContact O-CB 3.18Å; Q39-C43 PolarHBondContact O-N 3.28Å; Q39-I217 HydrophobicContact CB-CD1 4.05Å; Q39-I217 HydrophobicContact CB-CG2 3.84Å; Q39-I217 HydrophobicContact CG-CG2 4.1Å
40L94.3Very high92.2Very high0 Ų052.3 Ų52.30%026%0.261CS..Hα-helixtrans-63.6-43173.9-76.3178.3000112L36 Q37 R42 C43 V44 W189 L190 L195 L210 A214 I217L36-L40 HydrophobicContact CD1-CD1 4.03Å; L36-L40 HydrophobicContact CD1-CG 3.99Å; L36-L40 HydrophobicContact CG-CD1 4.02Å; L36-L40 HydrophobicContact CG-CG 4.38Å; L36-L40 WeakPolarHBondContact O-CB 3.41Å; L36-L40 WeakPolarHBondContact O-CG 3.35Å; L36-L40 PolarHBondContact O-N 2.68Å; Q37-L40 PolarHBondContact O-N 3.09Å; L40-R42 VanDerWaalsContact C-N 3.35Å; L40-R42 PolarHBondContact O-N 3.28Å; L40-C43 WeakPolarHBondContact O-CB 3.43Å; L40-C43 PolarHBondContact O-N 3.45Å; L40-V44 WeakPolarHBondContact O-CB 3.32Å; L40-V44 VanDerWaalsContact O-CG2 3.3Å; L40-V44 WeakPolarHBondContact O-CG2 3.25Å; L40-V44 PolarHBondContact O-N 3.08Å; L40-W189 HydrophobicContact CD1-CH2 3.71Å; L40-W189 HydrophobicContact CD1-CZ3 3.65Å; L40-L190 HydrophobicContact CD1-CD2 4.16Å; L40-L195 HydrophobicContact CB-CD1 4.3Å; L40-L210 HydrophobicContact CD2-CD1 3.79Å; L40-L210 HydrophobicContact CD2-CG 4.32Å; L40-A214 HydrophobicContact CD1-CB 4Å; L40-A214 HydrophobicContact CD2-CB 3.96Å; L40-A214 HydrophobicContact CG-CB 4.44Å; L40-I217 HydrophobicContact CD2-CD1 4.17Å
41L92.9Very high92Very high55 Ų5548.7 Ų48.729%0.28824%0.243SC..Hα-helixtrans-58.2-47.7174.3177.864.1000111.2Q37 H38 C43 V44 Q45 L195 Y198Q37-L41 WeakPolarHBondContact O-CB 3.5Å; Q37-L41 PolarHBondContact O-N 3.16Å; H38-L41 PolarHBondContact O-N 3.24Å; L41-C43 PolarHBondContact O-N 3.39Å; L41-V44 PolarHBondContact O-N 3.11Å; L41-Q45 HydrophobicContact CD1-CG 4.13Å; L41-Q45 HydrophobicContact CG-CG 4.48Å; L41-Q45 WeakPolarHBondContact O-CB 3.5Å; L41-Q45 VanDerWaalsContact O-CG 3.28Å; L41-Q45 WeakPolarHBondContact O-CG 3.3Å; L41-Q45 PolarHBondContact O-N 3.38Å; L41-L195 HydrophobicContact CB-CD2 4.02Å; L41-L195 HydrophobicContact CD1-CD2 3.44Å; L41-L195 VanDerWaalsContact CD1-CD2 3.44Å; L41-L195 HydrophobicContact CG-CD2 4.34Å; L41-Y198 HydrophobicContact CD1-CD2 4.34Å; L41-Y198 HydrophobicContact CD1-CE2 3.68Å
42R92.1Very high91.8Very high137 Ų13746.9 Ų46.952%0.51724%0.241SC..Hα-helixtrans-59.9-44.7176.8-71.8-17868.5-1673.1112.2H38 Q39 L40 A46H38-R42 WeakPolarHBondContact O-CG 3.35Å; H38-R42 PolarHBondContact O-N 3.27Å; Q39-R42 PolarHBondContact O-N 3.03Å; L40-R42 VanDerWaalsContact C-N 3.35Å; L40-R42 PolarHBondContact O-N 3.28Å; R42-A46 VanDerWaalsContact O-CB 3.28Å; R42-A46 WeakPolarHBondContact O-CB 3.29Å; R42-A46 PolarHBondContact O-N 3.1Å
43C94.2Very high91.3Very high10 Ų1056.6 Ų56.67%0.06828%0.277CS..Hα-helixtrans-59.8-49177.5179.50000111.4Q39 L40 L41 A46 A47 A70Q39-C43 WeakPolarHBondContact O-CB 3.18Å; Q39-C43 PolarHBondContact O-N 3.28Å; L40-C43 WeakPolarHBondContact O-CB 3.43Å; L40-C43 PolarHBondContact O-N 3.45Å; L41-C43 PolarHBondContact O-N 3.39Å; C43-A46 PolarHBondContact O-N 2.91Å; C43-A47 WeakPolarHBondContact O-CB 2.92Å; C43-A47 PolarHBondContact O-N 3.01Å; C43-A70 WeakPolarHBondContact O-CB 3.45Å
44V93.9Very high90.1Very high0 Ų059.8 Ų59.80%030%0.299CS..Hα-helixtrans-67.3-42.4-177.9172.30000111.2L40 L41 A46 A47 E48 I62 Y198 L199 L210L40-V44 WeakPolarHBondContact O-CB 3.32Å; L40-V44 VanDerWaalsContact O-CG2 3.3Å; L40-V44 WeakPolarHBondContact O-CG2 3.25Å; L40-V44 PolarHBondContact O-N 3.08Å; L41-V44 PolarHBondContact O-N 3.11Å; V44-A46 VanDerWaalsContact C-N 3.33Å; V44-A46 PolarHBondContact O-N 3.33Å; V44-A47 PolarHBondContact O-N 3.24Å; V44-E48 PolarHBondContact O-N 3.36Å; V44-I62 HydrophobicContact CG1-CD1 3.73Å; V44-Y198 HydrophobicContact CG1-CD1 4.43Å; V44-Y198 HydrophobicContact CG1-CD2 4.37Å; V44-Y198 HydrophobicContact CG1-CG 3.8Å; V44-L199 HydrophobicContact CG1-CD2 4.27Å; V44-L199 HydrophobicContact CG2-CD2 4.41Å; V44-L210 HydrophobicContact CG2-CD1 3.96Å; V44-L210 HydrophobicContact CG2-CD2 3.97Å
45Q92.2Very high88.4Confident45 Ų4558.7 Ų58.721%0.2129%0.294CS..Hα-helixtrans-63.4-37.8173.5-72.8178.6-12.100112.5L41 R49 Y198L41-Q45 HydrophobicContact CD1-CG 4.13Å; L41-Q45 HydrophobicContact CG-CG 4.48Å; L41-Q45 WeakPolarHBondContact O-CB 3.5Å; L41-Q45 VanDerWaalsContact O-CG 3.28Å; L41-Q45 WeakPolarHBondContact O-CG 3.3Å; L41-Q45 PolarHBondContact O-N 3.38Å; Q45-R49 VanDerWaalsContact C-NH1 3.33Å; Q45-R49 VanDerWaalsContact O-CG 3.31Å; Q45-R49 WeakPolarHBondContact O-CG 3.49Å; Q45-R49 PolarHBondContact O-N 3.45Å; Q45-R49 VanDerWaalsContact O-N 3.13Å; Q45-R49 PolarHBondContact O-NH1 3.01Å; Q45-Y198 HydrophobicContact CG-CD1 4.47Å; Q45-Y198 HydrophobicContact CG-CE1 3.78Å; Q45-Y198 HydrophobicContact CG-CE2 4.4Å; Q45-Y198 PolarHBondContact NE2-OH 3.33Å
46A92.2Very high86.5Confident28 Ų2863 Ų6323%0.23132%0.322CS..Hα-helixtrans-65.6-41.8174.200000111.1R42 C43 V44 R49 V50 A70R42-A46 VanDerWaalsContact O-CB 3.28Å; R42-A46 WeakPolarHBondContact O-CB 3.29Å; R42-A46 PolarHBondContact O-N 3.1Å; C43-A46 PolarHBondContact O-N 2.91Å; V44-A46 VanDerWaalsContact C-N 3.33Å; V44-A46 PolarHBondContact O-N 3.33Å; A46-R49 PolarHBondContact O-N 3.42Å; A46-V50 WeakPolarHBondContact O-CG2 3.29Å; A46-V50 PolarHBondContact O-N 3.43Å; A46-A70 HydrophobicContact CB-CB 3.8Å
47A93.2Very high84.6Confident0 Ų070.9 Ų70.90%036%0.356CS..Hα-helixtrans-65.1-40.2176.800000112.2C43 V44 R49 V50 S51 I62 D66 L67 A70C43-A47 WeakPolarHBondContact O-CB 2.92Å; C43-A47 PolarHBondContact O-N 3.01Å; V44-A47 PolarHBondContact O-N 3.24Å; A47-R49 PolarHBondContact O-N 3.39Å; A47-V50 WeakPolarHBondContact O-CB 3.34Å; A47-V50 PolarHBondContact O-N 2.92Å; A47-S51 WeakPolarHBondContact O-CB 3.36Å; A47-S51 PolarHBondContact O-N 3.44Å; A47-I62 HydrophobicContact CB-CD1 4.42Å; A47-I62 HydrophobicContact CB-CG2 3.64Å; A47-D66 HydrophobicContact CB-CB 4.23Å; A47-L67 HydrophobicContact CB-CD2 3.8Å; A47-L67 HydrophobicContact CB-CG 4.35Å; A47-A70 HydrophobicContact CB-CB 3.88Å
48E91Very high82.4Confident86 Ų8675.7 Ų75.740%0.40239%0.393SS..Hα-helixtrans-58.5-46.6172.8-173.9-170.7-154.600111.4V44 V50 S51 S52 I62 Y198V44-E48 PolarHBondContact O-N 3.36Å; E48-V50 VanDerWaalsContact C-N 3.26Å; E48-V50 PolarHBondContact O-N 3.45Å; E48-S51 WeakPolarHBondContact O-CB 3.35Å; E48-S51 PolarHBondContact O-N 3.08Å; E48-S51 VanDerWaalsContact O-N 3.16Å; E48-S52 WeakPolarHBondContact O-CB 3.22Å; E48-S52 PolarHBondContact O-N 3.45Å; E48-S52 PolarHBondContact O-OG 3.01Å; E48-I62 HydrophobicContact CB-CD1 4.13Å; E48-I62 HydrophobicContact CB-CG1 4.49Å; E48-Y198 VanDerWaalsContact OE2-CD1 3.26Å; E48-Y198 WeakPolarHBondContact OE2-CD1 3.32Å; E48-Y198 WeakPolarHBondContact OE2-CE1 3.46Å
49R90Very high80.6Confident130 Ų13074 Ų7449%0.49139%0.394SS..Hα-helixtrans-62.3-31.3176.1-69.1177.7-162103.8-2.6113Q45 A46 A47 S52 R53Q45-R49 VanDerWaalsContact C-NH1 3.33Å; Q45-R49 VanDerWaalsContact O-CG 3.31Å; Q45-R49 WeakPolarHBondContact O-CG 3.49Å; Q45-R49 PolarHBondContact O-N 3.45Å; Q45-R49 VanDerWaalsContact O-N 3.13Å; Q45-R49 PolarHBondContact O-NH1 3.01Å; A46-R49 PolarHBondContact O-N 3.42Å; A47-R49 PolarHBondContact O-N 3.39Å; R49-S52 PolarHBondContact O-OG 3.29Å; R49-S52 VanDerWaalsContact O-OG 3.06Å; R49-R53 WeakPolarHBondContact O-CD 3.29Å; R49-R53 VanDerWaalsContact O-CG 3.25Å; R49-R53 WeakPolarHBondContact O-CG 3.47Å
50V89.6Confident79.4Confident30 Ų3074.2 Ų74.218%0.18242%0.415CS..Hα-helixtrans-71-48.4173.4174.10000109.7A46 A47 E48 S52 R53 T54 D66 T69A46-V50 WeakPolarHBondContact O-CG2 3.29Å; A46-V50 PolarHBondContact O-N 3.43Å; A47-V50 WeakPolarHBondContact O-CB 3.34Å; A47-V50 PolarHBondContact O-N 2.92Å; E48-V50 VanDerWaalsContact C-N 3.26Å; E48-V50 PolarHBondContact O-N 3.45Å; V50-S52 VanDerWaalsContact C-N 3.32Å; V50-S52 PolarHBondContact O-N 3.26Å; V50-R53 WeakPolarHBondContact O-CB 3.43Å; V50-R53 PolarHBondContact O-N 3.42Å; V50-T54 HydrophobicContact CG1-CG2 4.47Å; V50-T54 PolarHBondContact O-N 2.78Å; V50-T54 VanDerWaalsContact O-N 3.11Å; V50-T54 PolarHBondContact O-OG1 2.93Å; V50-D66 HydrophobicContact CB-CB 4.47Å; V50-D66 HydrophobicContact CG1-CB 4.35Å; V50-T69 HydrophobicContact CB-CG2 4.41Å; V50-T69 HydrophobicContact CG1-CG2 3.78Å; V50-T69 HydrophobicContact CG2-CG2 3.71Å
51S88.3Confident79Confident12 Ų1275.6 Ų75.68%0.08443%0.425CS..Hα-helixtrans-59.4-42.4-179.6-156.60000111.7A47 E48 R53 T54 A55 D66A47-S51 WeakPolarHBondContact O-CB 3.36Å; A47-S51 PolarHBondContact O-N 3.44Å; E48-S51 WeakPolarHBondContact O-CB 3.35Å; E48-S51 PolarHBondContact O-N 3.08Å; E48-S51 VanDerWaalsContact O-N 3.16Å; S51-R53 PolarHBondContact O-N 2.99Å; S51-T54 PolarHBondContact O-N 2.88Å; S51-T54 PolarHBondContact O-OG1 3.42Å; S51-A55 WeakPolarHBondContact O-CB 3.5Å; S51-A55 PolarHBondContact O-N 2.76Å; S51-D66 WeakPolarHBondContact CB-OD2 3.49Å; S51-D66 PolarHBondContact OG-OD2 3.25Å; S51-D66 VanDerWaalsContact OG-OD2 3.1Å
52S85.4Confident78.8Confident87 Ų8773.2 Ų73.261%0.60841%0.412SS*.Hα-helixtrans-65.1-23.6177.670.60000113.4E48 R49 V50E48-S52 WeakPolarHBondContact O-CB 3.22Å; E48-S52 PolarHBondContact O-N 3.45Å; E48-S52 PolarHBondContact O-OG 3.01Å; R49-S52 PolarHBondContact O-OG 3.29Å; R49-S52 VanDerWaalsContact O-OG 3.06Å; V50-S52 VanDerWaalsContact C-N 3.32Å; V50-S52 PolarHBondContact O-N 3.26Å
53R80Confident78.8Confident213 Ų21368.9 Ų68.980%0.80440%0.403SS*.Hα-helixtrans-87.3-29.4177.6-70.3172.5-176.2-168.31.2112.7R49 V50 S51R49-R53 WeakPolarHBondContact O-CD 3.29Å; R49-R53 VanDerWaalsContact O-CG 3.25Å; R49-R53 WeakPolarHBondContact O-CG 3.47Å; V50-R53 WeakPolarHBondContact O-CB 3.43Å; V50-R53 PolarHBondContact O-N 3.42Å; S51-R53 PolarHBondContact O-N 2.99Å
54T69.4Low78.8Confident94 Ų9468.8 Ų68.858%0.57740%0.403SS*.Hα-helixtrans-91.8-19.9-178.254.90000112.8V50 S51 S56V50-T54 HydrophobicContact CG1-CG2 4.47Å; V50-T54 PolarHBondContact O-N 2.78Å; V50-T54 VanDerWaalsContact O-N 3.11Å; V50-T54 PolarHBondContact O-OG1 2.93Å; S51-T54 PolarHBondContact O-N 2.88Å; S51-T54 PolarHBondContact O-OG1 3.42Å; T54-S56 PolarHBondContact O-N 3.01Å; T54-S56 VanDerWaalsContact O-N 3.16Å
55A56Low78.8Confident45 Ų4571.4 Ų71.437%0.37242%0.416SS..  trans-79.997.3-176.200000113.3S51S51-A55 WeakPolarHBondContact O-CB 3.5Å; S51-A55 PolarHBondContact O-N 2.76Å
56S50.9Low78.9Confident124 Ų12469.8 Ų69.887%0.86741%0.409SS*.  trans-75.83137.372.70000112.1T54T54-S56 PolarHBondContact O-N 3.01Å; T54-S56 VanDerWaalsContact O-N 3.16Å
57K52.2Low79.1Confident166 Ų16668.6 Ų68.672%0.72240%0.399SS*.SBendtrans-95.5121.4-175.4-71.4179.7176.8175.20110.5S59K57-S59 PolarHBondContact O-N 3.23Å
58C47.2Very low79.2Confident148 Ų14868.7 Ų68.7100%140%0.399SS*.SBendtrans-57.512174.9-70.80000116.7
59S55.5Low79.4Confident71 Ų7166.1 Ų66.150%0.49739%0.39SS..  trans-114.499.2177.3-171.70000107.4K57 S61K57-S59 PolarHBondContact O-N 3.23Å; S59-S61 PolarHBondContact O-N 3.08Å; S59-S61 PolarHBondContact OG-OG 3.46Å
60G67.6Low79.6Confident78 Ų7861 Ų6180%0.80438%0.375SS*.  trans-67.530.1176.500000114.2
61S84.4Confident79.8Confident28 Ų2860.2 Ų60.220%0.19637%0.369CS..PPolyproline II helixtrans-95.1127.4-176.2570000110.6S59 S63 G201S59-S61 PolarHBondContact O-N 3.08Å; S59-S61 PolarHBondContact OG-OG 3.46Å; S61-S63 PolarHBondContact O-N 3.2Å; S61-G201 WeakPolarHBondContact CB-O 3.33Å
62I89.8Confident80Confident5 Ų566.4 Ų66.43%0.02639%0.391CS..PPolyproline II helixtrans-63.5122.4176.9-60174.3000110.5V44 A47 E48 D66 L67 Y198 S206V44-I62 HydrophobicContact CG1-CD1 3.73Å; A47-I62 HydrophobicContact CB-CD1 4.42Å; A47-I62 HydrophobicContact CB-CG2 3.64Å; E48-I62 HydrophobicContact CB-CD1 4.13Å; E48-I62 HydrophobicContact CB-CG1 4.49Å; I62-D66 HydrophobicContact CG2-CB 4.01Å; I62-L67 HydrophobicContact CG2-CD2 3.99Å; I62-L67 HydrophobicContact CG2-CG 3.82Å; I62-Y198 WeakPolarHBondContact CD1-O 3.37Å; I62-S206 PolarHBondContact O-OG 2.85Å
63S91.6Very high80.1Confident47 Ų4768.4 Ų68.433%0.32940%0.399SS..PPolyproline II helixtrans-86.5166.5175.776.20000112.4S61 L65 D66 L67S61-S63 PolarHBondContact O-N 3.2Å; S63-L65 VanDerWaalsContact C-N 3.27Å; S63-L65 PolarHBondContact O-N 2.91Å; S63-L65 PolarHBondContact OG-N 3.3Å; S63-D66 VanDerWaalsContact CB-OD2 3.3Å; S63-D66 WeakPolarHBondContact CB-OD2 3.49Å; S63-D66 PolarHBondContact N-OD2 3.07Å; S63-D66 PolarHBondContact O-N 2.93Å; S63-D66 PolarHBondContact OG-N 3.44Å; S63-D66 PolarHBondContact OG-OD2 3.27Å; S63-L67 PolarHBondContact O-N 3.43Å
64C94.2Very high80.5Confident8 Ų861.9 Ų61.95%0.05438%0.38CS..Hα-helixtrans-60.6-35.9174.2-62.70000113D66 L67 L68 V120 L209C64-D66 VanDerWaalsContact C-N 3.34Å; C64-L67 PolarHBondContact O-N 2.98Å; C64-L68 WeakPolarHBondContact O-CG 3.31Å; C64-L68 PolarHBondContact O-N 3.44Å; C64-V120 HydrophobicContact CB-CG1 3.67Å; C64-V120 HydrophobicContact CB-CG2 4.05Å; C64-L209 HydrophobicContact CB-CD2 3.7Å; C64-L209 WeakPolarHBondContact O-CD2 3.48Å
65L94.3Very high81.4Confident54 Ų5462.6 Ų62.628%0.28338%0.38SS..Hα-helixtrans-70.9-32.4178.3-72.1177.7000111.7S63 L67 L68 T69 A123 A124 L127S63-L65 VanDerWaalsContact C-N 3.27Å; S63-L65 PolarHBondContact O-N 2.91Å; S63-L65 PolarHBondContact OG-N 3.3Å; L65-L67 VanDerWaalsContact C-N 3.34Å; L65-L68 PolarHBondContact O-N 2.92Å; L65-T69 VanDerWaalsContact O-CB 3.29Å; L65-T69 WeakPolarHBondContact O-CB 3.4Å; L65-T69 PolarHBondContact O-N 3.46Å; L65-T69 PolarHBondContact O-OG1 2.9Å; L65-A123 HydrophobicContact CD1-CB 4.42Å; L65-A123 HydrophobicContact CD2-CB 4.22Å; L65-A124 HydrophobicContact CD2-CB 4.27Å; L65-L127 HydrophobicContact CD1-CD1 4.09Å; L65-L127 HydrophobicContact CD2-CD1 3.98Å
66D94.1Very high82.7Confident11 Ų1170.7 Ų70.76%0.05940%0.401CS..Hα-helixtrans-63.8-42.1173.2-58.9-41.9000110.7A47 V50 S51 I62 S63 C64 T69 A70A47-D66 HydrophobicContact CB-CB 4.23Å; V50-D66 HydrophobicContact CB-CB 4.47Å; V50-D66 HydrophobicContact CG1-CB 4.35Å; S51-D66 WeakPolarHBondContact CB-OD2 3.49Å; S51-D66 PolarHBondContact OG-OD2 3.25Å; S51-D66 VanDerWaalsContact OG-OD2 3.1Å; I62-D66 HydrophobicContact CG2-CB 4.01Å; S63-D66 VanDerWaalsContact CB-OD2 3.3Å; S63-D66 WeakPolarHBondContact CB-OD2 3.49Å; S63-D66 PolarHBondContact N-OD2 3.07Å; S63-D66 PolarHBondContact O-N 2.93Å; S63-D66 PolarHBondContact OG-N 3.44Å; S63-D66 PolarHBondContact OG-OD2 3.27Å; C64-D66 VanDerWaalsContact C-N 3.34Å; D66-T69 PolarHBondContact O-N 2.91Å; D66-A70 WeakPolarHBondContact O-CB 3.37Å; D66-A70 PolarHBondContact O-N 3.15Å
67L95.6Very high84.6Confident3 Ų365.6 Ų65.62%0.01636%0.364CS..Hα-helixtrans-63.1-45174.6-71.1171.4000112.6A47 I62 S63 C64 L65 T69 A70 I71 S206 L209 L210 I213A47-L67 HydrophobicContact CB-CD2 3.8Å; A47-L67 HydrophobicContact CB-CG 4.35Å; I62-L67 HydrophobicContact CG2-CD2 3.99Å; I62-L67 HydrophobicContact CG2-CG 3.82Å; S63-L67 PolarHBondContact O-N 3.43Å; C64-L67 PolarHBondContact O-N 2.98Å; L65-L67 VanDerWaalsContact C-N 3.34Å; L67-T69 VanDerWaalsContact C-N 3.31Å; L67-T69 PolarHBondContact O-N 3.46Å; L67-A70 WeakPolarHBondContact O-CB 3.47Å; L67-A70 PolarHBondContact O-N 3.44Å; L67-I71 PolarHBondContact O-N 2.87Å; L67-S206 WeakPolarHBondContact CD1-O 3.4Å; L67-L209 HydrophobicContact CB-CD2 4.01Å; L67-L209 HydrophobicContact CD1-CD2 4.19Å; L67-L210 HydrophobicContact CD1-CB 4.31Å; L67-L210 HydrophobicContact CD2-CD1 4.09Å; L67-I213 HydrophobicContact CB-CD1 4.1Å
68L96.3Very high86.6Confident3 Ų357.9 Ų57.92%0.01633%0.331CS..Hα-helixtrans-66-37.2177.2-68173.9000111.6C64 L65 A70 I71 R72 L78 T81 I82 V120 A124 F128 L209C64-L68 WeakPolarHBondContact O-CG 3.31Å; C64-L68 PolarHBondContact O-N 3.44Å; L65-L68 PolarHBondContact O-N 2.92Å; L68-A70 VanDerWaalsContact C-N 3.27Å; L68-A70 PolarHBondContact O-N 2.92Å; L68-I71 HydrophobicContact CD2-CD1 4.22Å; L68-I71 VanDerWaalsContact O-CG1 3.31Å; L68-I71 WeakPolarHBondContact O-CG1 3.34Å; L68-I71 PolarHBondContact O-N 3.34Å; L68-R72 PolarHBondContact O-N 2.91Å; L68-L78 HydrophobicContact CB-CD1 4.2Å; L68-L78 HydrophobicContact CD2-CD1 4.05Å; L68-T81 HydrophobicContact CD2-CG2 3.95Å; L68-I82 HydrophobicContact CD2-CG1 4.21Å; L68-V120 HydrophobicContact CD1-CG1 4.06Å; L68-A124 HydrophobicContact CD1-CB 3.46Å; L68-A124 VanDerWaalsContact CD1-CB 3.46Å; L68-F128 HydrophobicContact CB-CE2 3.75Å; L68-F128 HydrophobicContact CB-CZ 4.32Å; L68-L209 HydrophobicContact CD1-CD2 4.43Å; L68-L209 HydrophobicContact CD2-CD1 4.15Å; L68-L209 HydrophobicContact CD2-CD2 4.19Å; L68-L209 HydrophobicContact CG-CD2 3.94Å
69T94.8Very high88.7Confident32 Ų3253.4 Ų53.420%0.19630%0.296CS..Hα-helixtrans-64.9-34.2174.7-56.50000111.2V50 L65 D66 L67 I71 R72 F128V50-T69 HydrophobicContact CB-CG2 4.41Å; V50-T69 HydrophobicContact CG1-CG2 3.78Å; V50-T69 HydrophobicContact CG2-CG2 3.71Å; L65-T69 VanDerWaalsContact O-CB 3.29Å; L65-T69 WeakPolarHBondContact O-CB 3.4Å; L65-T69 PolarHBondContact O-N 3.46Å; L65-T69 PolarHBondContact O-OG1 2.9Å; D66-T69 PolarHBondContact O-N 2.91Å; L67-T69 VanDerWaalsContact C-N 3.31Å; L67-T69 PolarHBondContact O-N 3.46Å; T69-I71 VanDerWaalsContact C-N 3.31Å; T69-I71 PolarHBondContact O-N 3.28Å; T69-R72 WeakPolarHBondContact O-CB 3.4Å; T69-R72 VanDerWaalsContact O-CD 3.25Å; T69-R72 WeakPolarHBondContact O-CD 3.49Å; T69-R72 WeakPolarHBondContact O-CG 3.27Å; T69-R72 PolarHBondContact O-N 3.29Å; T69-F128 WeakPolarHBondContact OG1-CZ 3.42Å
70A94Very high90.3Very high22 Ų2252.2 Ų52.218%0.18228%0.28CS..Hα-helixtrans-64.8-33.1178.400000113.1C43 A46 A47 D66 L67 L68C43-A70 WeakPolarHBondContact O-CB 3.45Å; A46-A70 HydrophobicContact CB-CB 3.8Å; A47-A70 HydrophobicContact CB-CB 3.88Å; D66-A70 WeakPolarHBondContact O-CB 3.37Å; D66-A70 PolarHBondContact O-N 3.15Å; L67-A70 WeakPolarHBondContact O-CB 3.47Å; L67-A70 PolarHBondContact O-N 3.44Å; L68-A70 VanDerWaalsContact C-N 3.27Å; L68-A70 PolarHBondContact O-N 2.92Å
71I94.5Very high91.5Very high13 Ų1348.5 Ų48.57%0.06724%0.242CC..Hα-helixtrans-96.6-0.3179.964.9170.7000113.7L67 L68 T69 V73 D74 L77 L78 T81 I213L67-I71 PolarHBondContact O-N 2.87Å; L68-I71 HydrophobicContact CD2-CD1 4.22Å; L68-I71 VanDerWaalsContact O-CG1 3.31Å; L68-I71 WeakPolarHBondContact O-CG1 3.34Å; L68-I71 PolarHBondContact O-N 3.34Å; T69-I71 VanDerWaalsContact C-N 3.31Å; T69-I71 PolarHBondContact O-N 3.28Å; I71-V73 PolarHBondContact O-N 3.34Å; I71-D74 PolarHBondContact O-N 3.47Å; I71-L77 HydrophobicContact CB-CD2 4.26Å; I71-L77 HydrophobicContact CD1-CG 4.3Å; I71-L77 HydrophobicContact CG2-CD2 4.17Å; I71-L78 HydrophobicContact CD1-CD1 4.17Å; I71-L78 HydrophobicContact CG1-CD1 4.03Å; I71-T81 HydrophobicContact CD1-CG2 4.2Å; I71-I213 HydrophobicContact CD1-CD1 4.21Å; I71-I213 HydrophobicContact CD1-CG1 4.14Å; I71-I213 HydrophobicContact CG2-CG2 4.27Å
72R92.6Very high91.9Very high143 Ų14347.2 Ų47.254%0.5423%0.233SC..THydrogen-bonded Turntrans-61.4-11.4-171.979.6-171.1175.192.63.6116.1L68 T69 D74 L78 F128L68-R72 PolarHBondContact O-N 2.91Å; T69-R72 WeakPolarHBondContact O-CB 3.4Å; T69-R72 VanDerWaalsContact O-CD 3.25Å; T69-R72 WeakPolarHBondContact O-CD 3.49Å; T69-R72 WeakPolarHBondContact O-CG 3.27Å; T69-R72 PolarHBondContact O-N 3.29Å; R72-D74 VanDerWaalsContact C-N 3.33Å; R72-L78 HydrophobicContact CB-CD2 4.46Å; R72-F128 HydrophobicContact CB-CD1 4.42Å
73V88Confident91.9Very high128 Ų12848.1 Ų48.178%0.77624%0.236SC*.THydrogen-bonded Turntrans-80.3-22.9177.8-179.40000110.6I71I71-V73 PolarHBondContact O-N 3.34Å
74D88Confident91.8Very high77 Ų7747.5 Ų47.541%0.41223%0.232SC..  trans-103.390.8174.5-175.5-20.9000108.7I71 R72 R76 L77 L78I71-D74 PolarHBondContact O-N 3.47Å; R72-D74 VanDerWaalsContact C-N 3.33Å; D74-R76 PolarHBondContact O-N 2.94Å; D74-R76 PolarHBondContact OD1-N 3.44Å; D74-L77 HydrophobicContact CB-CB 3.92Å; D74-L77 PolarHBondContact O-N 3.44Å; D74-L77 PolarHBondContact OD1-N 3.34Å; D74-L77 WeakPolarHBondContact OD2-CB 3.31Å; D74-L78 WeakPolarHBondContact O-CB 3.32Å; D74-L78 PolarHBondContact O-N 3.15Å
75D87Confident91.6Very high108 Ų10847.2 Ų47.258%0.57823%0.23SC*.Hα-helixtrans-56.4-39.9-177-68.4-24.2000111.6L78 E79D75-L78 PolarHBondContact O-N 2.96Å; D75-E79 WeakPolarHBondContact O-CB 3.13Å; D75-E79 VanDerWaalsContact O-CG 3.3Å; D75-E79 WeakPolarHBondContact O-CG 3.22Å; D75-E79 PolarHBondContact O-N 3.29Å
76R85.2Confident91.3Very high215 Ų21545.2 Ų45.281%0.81122%0.221SC*.Hα-helixtrans-65.1-45.9179.5-69.3-175.6176.8-177.51.2111.2D74 R80D74-R76 PolarHBondContact O-N 2.94Å; D74-R76 PolarHBondContact OD1-N 3.44Å; R76-R80 WeakPolarHBondContact O-CB 3.24Å; R76-R80 PolarHBondContact O-N 2.81Å
77L90.9Very high90.7Very high17 Ų1747.6 Ų47.69%0.08923%0.233CC..Hα-helixtrans-66.5-40.7177.1-178.960.9000111.5I71 D74 T81 I217I71-L77 HydrophobicContact CB-CD2 4.26Å; I71-L77 HydrophobicContact CD1-CG 4.3Å; I71-L77 HydrophobicContact CG2-CD2 4.17Å; D74-L77 HydrophobicContact CB-CB 3.92Å; D74-L77 PolarHBondContact O-N 3.44Å; D74-L77 PolarHBondContact OD1-N 3.34Å; D74-L77 WeakPolarHBondContact OD2-CB 3.31Å; L77-T81 WeakPolarHBondContact O-CB 3.46Å; L77-T81 PolarHBondContact O-N 3.28Å; L77-T81 PolarHBondContact O-OG1 2.7Å; L77-I217 HydrophobicContact CD1-CG1 4.31Å; L77-I217 HydrophobicContact CD2-CG1 3.91Å
78L93.6Very high90.1Very high4 Ų450.6 Ų50.62%0.02124%0.244CC..Hα-helixtrans-60.5-53.8177.3178.567.2000111L68 I71 R72 D74 D75 R80 T81 I82 F128 F129L68-L78 HydrophobicContact CB-CD1 4.2Å; L68-L78 HydrophobicContact CD2-CD1 4.05Å; I71-L78 HydrophobicContact CD1-CD1 4.17Å; I71-L78 HydrophobicContact CG1-CD1 4.03Å; R72-L78 HydrophobicContact CB-CD2 4.46Å; D74-L78 WeakPolarHBondContact O-CB 3.32Å; D74-L78 PolarHBondContact O-N 3.15Å; D75-L78 PolarHBondContact O-N 2.96Å; L78-R80 PolarHBondContact O-N 3.02Å; L78-T81 PolarHBondContact O-N 3.47Å; L78-I82 HydrophobicContact CD1-CD1 3.9Å; L78-I82 HydrophobicContact CD1-CG1 4.39Å; L78-I82 HydrophobicContact CG-CD1 3.97Å; L78-I82 WeakPolarHBondContact O-CG1 3.27Å; L78-I82 PolarHBondContact O-N 3.17Å; L78-F128 HydrophobicContact CD1-CD2 4.24Å; L78-F128 HydrophobicContact CD2-CB 3.93Å; L78-F128 HydrophobicContact CD2-CD2 4.15Å; L78-F128 HydrophobicContact CD2-CG 4.15Å; L78-F129 HydrophobicContact CD2-CE2 4.12Å; L78-F129 HydrophobicContact CD2-CZ 4.29Å
79E91.1Very high89.1Confident55 Ų5551.8 Ų51.826%0.25725%0.25SS..Hα-helixtrans-59-49.9179.5-75.3-179.9-179.800111.7D75 T81 I82 Y83 F129 L138D75-E79 WeakPolarHBondContact O-CB 3.13Å; D75-E79 VanDerWaalsContact O-CG 3.3Å; D75-E79 WeakPolarHBondContact O-CG 3.22Å; D75-E79 PolarHBondContact O-N 3.29Å; E79-T81 VanDerWaalsContact C-N 3.26Å; E79-T81 PolarHBondContact O-N 3.43Å; E79-I82 PolarHBondContact O-N 2.85Å; E79-Y83 VanDerWaalsContact O-CB 3.28Å; E79-Y83 WeakPolarHBondContact O-CB 3.27Å; E79-Y83 PolarHBondContact O-N 2.81Å; E79-F129 HydrophobicContact CG-CE1 3.79Å; E79-F129 HydrophobicContact CG-CZ 3.72Å; E79-L138 HydrophobicContact CB-CD1 4.44Å; E79-L138 HydrophobicContact CG-CD1 4.23Å
80R88.2Confident88Confident45 Ų4557.9 Ų57.917%0.1727%0.271CS..Hα-helixtrans-59.1-39178-174.7176.5-179.7162.37112R76 L78 S84 D223R76-R80 WeakPolarHBondContact O-CB 3.24Å; R76-R80 PolarHBondContact O-N 2.81Å; L78-R80 PolarHBondContact O-N 3.02Å; R80-S84 WeakPolarHBondContact O-CB 3.4Å; R80-S84 PolarHBondContact O-N 2.98Å; R80-S84 PolarHBondContact O-OG 3.47Å; R80-D223 IonicContact NH1-OD2 2.66Å; R80-D223 PolarHBondContact NH1-OD2 3.48Å
81T93Very high87.2Confident1 Ų159.4 Ų59.41%0.00628%0.284CS..Hα-helixtrans-66.2-50.1178-640000110.6L68 I71 L77 L78 E79 Y83 S84 F85 L209 T212 I213L68-T81 HydrophobicContact CD2-CG2 3.95Å; I71-T81 HydrophobicContact CD1-CG2 4.2Å; L77-T81 WeakPolarHBondContact O-CB 3.46Å; L77-T81 PolarHBondContact O-N 3.28Å; L77-T81 PolarHBondContact O-OG1 2.7Å; L78-T81 PolarHBondContact O-N 3.47Å; E79-T81 VanDerWaalsContact C-N 3.26Å; E79-T81 PolarHBondContact O-N 3.43Å; T81-Y83 VanDerWaalsContact C-N 3.34Å; T81-Y83 PolarHBondContact O-N 3.44Å; T81-S84 PolarHBondContact O-N 2.93Å; T81-F85 WeakPolarHBondContact O-CB 3.49Å; T81-F85 PolarHBondContact O-N 2.75Å; T81-L209 HydrophobicContact CG2-CD1 3.67Å; T81-T212 HydrophobicContact CG2-CG2 4.14Å; T81-I213 HydrophobicContact CG2-CD1 4.46Å; T81-I213 HydrophobicContact CG2-CG1 3.61Å
82I93.2Very high86.3Confident1 Ų160.9 Ų60.91%0.00529%0.291CS..Hα-helixtrans-61.3-45179.1-66.1169.6000110.3L68 L78 E79 F85 A86 C121 A124 I125 F129 L135 L138L68-I82 HydrophobicContact CD2-CG1 4.21Å; L78-I82 HydrophobicContact CD1-CD1 3.9Å; L78-I82 HydrophobicContact CD1-CG1 4.39Å; L78-I82 HydrophobicContact CG-CD1 3.97Å; L78-I82 WeakPolarHBondContact O-CG1 3.27Å; L78-I82 PolarHBondContact O-N 3.17Å; E79-I82 PolarHBondContact O-N 2.85Å; I82-F85 PolarHBondContact O-N 3.47Å; I82-A86 VanDerWaalsContact O-CB 3.27Å; I82-A86 WeakPolarHBondContact O-CB 3.45Å; I82-A86 PolarHBondContact O-N 3.45Å; I82-C121 HydrophobicContact CG2-CB 4.14Å; I82-A124 HydrophobicContact CD1-CB 4.03Å; I82-I125 HydrophobicContact CG2-CD1 4.31Å; I82-F129 HydrophobicContact CD1-CE2 3.76Å; I82-F129 HydrophobicContact CD1-CZ 4.3Å; I82-L135 HydrophobicContact CG2-CD1 3.81Å; I82-L138 HydrophobicContact CB-CD1 4.21Å; I82-L138 HydrophobicContact CB-CD2 4.42Å; I82-L138 HydrophobicContact CD1-CD1 4.44Å; I82-L138 HydrophobicContact CG2-CD1 4.06Å; I82-L138 HydrophobicContact CG2-CD2 4.19Å
83Y90.7Very high85.4Confident24 Ų2455.4 Ų55.49%0.09428%0.276CS..Hα-helixtrans-56.7-54.6175.8176.4-101.9000111.9E79 T81 F85 A86 L87 L138 I139 H142 R143E79-Y83 VanDerWaalsContact O-CB 3.28Å; E79-Y83 WeakPolarHBondContact O-CB 3.27Å; E79-Y83 PolarHBondContact O-N 2.81Å; T81-Y83 VanDerWaalsContact C-N 3.34Å; T81-Y83 PolarHBondContact O-N 3.44Å; Y83-F85 VanDerWaalsContact C-N 3.31Å; Y83-F85 PolarHBondContact O-N 2.87Å; Y83-A86 PolarHBondContact O-N 2.94Å; Y83-L87 HydrophobicContact CD1-CD1 3.96Å; Y83-L87 HydrophobicContact CD1-CG 4.35Å; Y83-L87 HydrophobicContact CE1-CD1 3.25Å; Y83-L87 HydrophobicContact CE1-CG 3.99Å; Y83-L87 HydrophobicContact CE2-CD1 4.2Å; Y83-L87 HydrophobicContact CE2-CD2 4.49Å; Y83-L87 HydrophobicContact CE2-CG 4.25Å; Y83-L87 VanDerWaalsContact CZ-CD1 3.41Å; Y83-L87 PolarHBondContact O-N 2.64Å; Y83-L138 HydrophobicContact CD2-CD2 4.45Å; Y83-I139 HydrophobicContact CD2-CB 4.34Å; Y83-I139 HydrophobicContact CD2-CG1 4.01Å; Y83-I139 HydrophobicContact CE2-CB 4.31Å; Y83-I139 HydrophobicContact CE2-CG1 4.31Å; Y83-I139 HydrophobicContact CE2-CG2 4.06Å; Y83-H142 AromaticContact CD1-CD2 3.32Å; Y83-H142 WeakPolarHBondContact CD1-CD2 3.49Å; Y83-H142 HydrophobicContact CD2-CB 3.85Å; Y83-H142 AromaticContact CE1-CD2 3.73Å; Y83-H142 HydrophobicContact CE2-CB 4.23Å; Y83-H142 HydrophobicContact CG-CB 4.08Å; Y83-H142 AromaticContact CG-CD2 3.46Å; Y83-H142 VanDerWaalsContact CG-CD2 3.46Å; Y83-H142 AromaticContact CG-CG 3.94Å; Y83-R143 HydrophobicContact CE2-CG 4.41Å
84S88.3Confident84.7Confident34 Ų3451.7 Ų51.724%0.23825%0.254CS..Hα-helixtrans-65.2-36.9-176.3-58.60000111.7R80 T81 R88R80-S84 WeakPolarHBondContact O-CB 3.4Å; R80-S84 PolarHBondContact O-N 2.98Å; R80-S84 PolarHBondContact O-OG 3.47Å; T81-S84 PolarHBondContact O-N 2.93Å; S84-R88 PolarHBondContact O-N 3.16Å; S84-R88 VanDerWaalsContact O-N 3.15Å
85F90.7Very high83.9Confident2 Ų253.4 Ų53.41%0.00926%0.258CS..Hα-helixtrans-69.6-38.6177.5-160.8-118.7000112T81 I82 Y83 D89 R117 L205 E208 L209 T212T81-F85 WeakPolarHBondContact O-CB 3.49Å; T81-F85 PolarHBondContact O-N 2.75Å; I82-F85 PolarHBondContact O-N 3.47Å; Y83-F85 VanDerWaalsContact C-N 3.31Å; Y83-F85 PolarHBondContact O-N 2.87Å; F85-D89 PolarHBondContact O-N 3.24Å; F85-R117 HydrophobicContact CD1-CB 4.26Å; F85-R117 HydrophobicContact CD1-CG 4.39Å; F85-R117 HydrophobicContact CE1-CB 3.86Å; F85-R117 HydrophobicContact CE1-CG 3.69Å; F85-R117 HydrophobicContact CE2-CG 4.32Å; F85-R117 HydrophobicContact CZ-CB 4.35Å; F85-R117 HydrophobicContact CZ-CG 3.66Å; F85-L205 HydrophobicContact CE1-CD1 4.41Å; F85-L205 HydrophobicContact CZ-CD1 3.82Å; F85-L205 HydrophobicContact CZ-CG 4.16Å; F85-E208 HydrophobicContact CE2-CB 4.17Å; F85-L209 HydrophobicContact CB-CD1 4.32Å; F85-L209 HydrophobicContact CD1-CD1 4.08Å; F85-L209 HydrophobicContact CD2-CB 4.42Å; F85-L209 HydrophobicContact CD2-CD1 3.94Å; F85-L209 HydrophobicContact CE1-CD1 4.32Å; F85-L209 HydrophobicContact CE2-CB 3.89Å; F85-L209 HydrophobicContact CE2-CD1 4.2Å; F85-L209 HydrophobicContact CG-CD1 3.87Å; F85-L209 HydrophobicContact CZ-CB 3.97Å; F85-L209 HydrophobicContact CZ-CD1 4.37Å; F85-T212 HydrophobicContact CB-CG2 4.4Å
86A88Confident83.2Confident11 Ų1155.7 Ų55.79%0.09126%0.258CS..Hα-helixtrans-67.9-42.917400000112.5I82 Y83 R88 D89 Y90 L135I82-A86 VanDerWaalsContact O-CB 3.27Å; I82-A86 WeakPolarHBondContact O-CB 3.45Å; I82-A86 PolarHBondContact O-N 3.45Å; Y83-A86 PolarHBondContact O-N 2.94Å; A86-R88 VanDerWaalsContact C-N 3.27Å; A86-R88 PolarHBondContact O-N 3.28Å; A86-D89 WeakPolarHBondContact O-CB 3.39Å; A86-D89 PolarHBondContact O-N 3.21Å; A86-D89 VanDerWaalsContact O-N 3.12Å; A86-Y90 PolarHBondContact O-N 2.99Å; A86-L135 HydrophobicContact CB-CD1 4.13Å; A86-L135 HydrophobicContact CB-CD2 4.2Å
87L82Confident82.2Confident61 Ų6149.9 Ų49.932%0.31924%0.241SC..Hα-helixtrans-61.2-36.6176.7-79.1-169.4000112.6Y83 D89 Y90 A91Y83-L87 HydrophobicContact CD1-CD1 3.96Å; Y83-L87 HydrophobicContact CD1-CG 4.35Å; Y83-L87 HydrophobicContact CE1-CD1 3.25Å; Y83-L87 HydrophobicContact CE1-CG 3.99Å; Y83-L87 HydrophobicContact CE2-CD1 4.2Å; Y83-L87 HydrophobicContact CE2-CD2 4.49Å; Y83-L87 HydrophobicContact CE2-CG 4.25Å; Y83-L87 VanDerWaalsContact CZ-CD1 3.41Å; Y83-L87 PolarHBondContact O-N 2.64Å; L87-D89 VanDerWaalsContact C-N 3.27Å; L87-D89 PolarHBondContact O-N 3.34Å; L87-Y90 WeakPolarHBondContact O-CB 3.13Å; L87-Y90 PolarHBondContact O-N 3.1Å; L87-A91 PolarHBondContact O-N 3.25Å
88R81.8Confident80.9Confident66 Ų6653.4 Ų53.425%0.24926%0.264CS..Hα-helixtrans-61.7-40175.6-173-174.1-171.312210.7111.7S84 A86 Y90 A91 I92 L177S84-R88 PolarHBondContact O-N 3.16Å; S84-R88 VanDerWaalsContact O-N 3.15Å; A86-R88 VanDerWaalsContact C-N 3.27Å; A86-R88 PolarHBondContact O-N 3.28Å; R88-Y90 VanDerWaalsContact C-N 3.29Å; R88-Y90 PolarHBondContact O-N 2.95Å; R88-A91 PolarHBondContact O-N 2.88Å; R88-I92 HydrophobicContact CG-CD1 3.9Å; R88-I92 HydrophobicContact CG-CG1 4.38Å; R88-I92 VanDerWaalsContact O-CG1 3.28Å; R88-I92 WeakPolarHBondContact O-CG1 3.5Å; R88-I92 PolarHBondContact O-N 3.33Å; R88-L177 PolarHBondContact NH2-O 2.59Å
89D76Confident79.4Confident28 Ų2859 Ų5915%0.1529%0.29CS..Hα-helixtrans-60.7-43176.5-163.559.7000111.2F85 A86 L87 I92 A93 S115 R117F85-D89 PolarHBondContact O-N 3.24Å; A86-D89 WeakPolarHBondContact O-CB 3.39Å; A86-D89 PolarHBondContact O-N 3.21Å; A86-D89 VanDerWaalsContact O-N 3.12Å; L87-D89 VanDerWaalsContact C-N 3.27Å; L87-D89 PolarHBondContact O-N 3.34Å; D89-I92 PolarHBondContact O-N 3.09Å; D89-A93 WeakPolarHBondContact O-CB 3.39Å; D89-A93 PolarHBondContact O-N 3.48Å; D89-S115 WeakPolarHBondContact OD1-CB 3.34Å; D89-S115 PolarHBondContact OD1-OG 2.95Å; D89-S115 WeakPolarHBondContact OD2-CB 3.44Å; D89-S115 PolarHBondContact OD2-OG 2.72Å; D89-R117 HydrophobicContact CB-CB 4.11Å; D89-R117 IonicContact OD1-NH1 3.72Å
90Y71.8Confident77.7Confident161 Ų16161.3 Ų61.363%0.63130%0.301SS*.Hα-helixtrans-60.9-47.1173-174.9-96.3000112.2A86 L87 R88 I92 A93 T94A86-Y90 PolarHBondContact O-N 2.99Å; L87-Y90 WeakPolarHBondContact O-CB 3.13Å; L87-Y90 PolarHBondContact O-N 3.1Å; R88-Y90 VanDerWaalsContact C-N 3.29Å; R88-Y90 PolarHBondContact O-N 2.95Å; Y90-I92 VanDerWaalsContact C-N 3.33Å; Y90-I92 PolarHBondContact O-N 3.29Å; Y90-A93 PolarHBondContact O-N 2.99Å; Y90-T94 HydrophobicContact CD1-CG2 4.03Å; Y90-T94 HydrophobicContact CE1-CG2 3.61Å; Y90-T94 HydrophobicContact CE2-CG2 4.3Å; Y90-T94 WeakPolarHBondContact O-CG2 3.45Å; Y90-T94 PolarHBondContact O-N 3.44Å; Y90-T94 PolarHBondContact O-OG1 3.33Å
91A75.7Confident76.1Confident54 Ų5464.4 Ų64.445%0.44633%0.325SS..Hα-helixtrans-63.6-35.6179.100000113.2L87 R88 T94 K95L87-A91 PolarHBondContact O-N 3.25Å; R88-A91 PolarHBondContact O-N 2.88Å; A91-T94 WeakPolarHBondContact CA-OG1 3.48Å; A91-T94 PolarHBondContact O-OG1 3.47Å; A91-K95 VanDerWaalsContact O-CB 3.32Å; A91-K95 WeakPolarHBondContact O-CB 3.26Å; A91-K95 PolarHBondContact O-N 3.48Å
92I75.6Confident74Confident44 Ų4472.2 Ų72.223%0.22637%0.366CS..Hα-helixtrans-69.5-42.1174.1-68.5167.3000110.2R88 D89 Y90 K95 R96R88-I92 HydrophobicContact CG-CD1 3.9Å; R88-I92 HydrophobicContact CG-CG1 4.38Å; R88-I92 VanDerWaalsContact O-CG1 3.28Å; R88-I92 WeakPolarHBondContact O-CG1 3.5Å; R88-I92 PolarHBondContact O-N 3.33Å; D89-I92 PolarHBondContact O-N 3.09Å; Y90-I92 VanDerWaalsContact C-N 3.33Å; Y90-I92 PolarHBondContact O-N 3.29Å; I92-K95 PolarHBondContact O-N 2.99Å; I92-R96 WeakPolarHBondContact O-CG 3.43Å; I92-R96 PolarHBondContact O-N 2.96Å; I92-R96 VanDerWaalsContact O-N 3.13Å
93A75.1Confident71.9Confident27 Ų2774.9 Ų74.922%0.22339%0.389CS..Hα-helixtrans-63.5-43.2177.800000111.9D89 Y90 R96 M97D89-A93 WeakPolarHBondContact O-CB 3.39Å; D89-A93 PolarHBondContact O-N 3.48Å; Y90-A93 PolarHBondContact O-N 2.99Å; A93-R96 PolarHBondContact O-N 3.32Å; A93-M97 WeakPolarHBondContact O-CG 3.21Å; A93-M97 PolarHBondContact O-N 3.34Å
94T72.3Confident69.5Low50 Ų5081.9 Ų81.931%0.30743%0.428SS..Hα-helixtrans-67.5-40.3177.154.10000112.2Y90 A91 R96 M97 T98Y90-T94 HydrophobicContact CD1-CG2 4.03Å; Y90-T94 HydrophobicContact CE1-CG2 3.61Å; Y90-T94 HydrophobicContact CE2-CG2 4.3Å; Y90-T94 WeakPolarHBondContact O-CG2 3.45Å; Y90-T94 PolarHBondContact O-N 3.44Å; Y90-T94 PolarHBondContact O-OG1 3.33Å; A91-T94 WeakPolarHBondContact CA-OG1 3.48Å; A91-T94 PolarHBondContact O-OG1 3.47Å; T94-R96 VanDerWaalsContact C-N 3.32Å; T94-R96 PolarHBondContact O-N 2.93Å; T94-M97 PolarHBondContact O-N 3.41Å; T94-T98 PolarHBondContact O-N 2.88Å; T94-T98 PolarHBondContact O-OG1 3.01Å
95K72.5Confident67.5Low113 Ų11385.7 Ų85.749%0.49144%0.444SS..Hα-helixtrans-59.4-41.3175.6-176175.1175.3177.20112.4A91 I92 T98 E99A91-K95 VanDerWaalsContact O-CB 3.32Å; A91-K95 WeakPolarHBondContact O-CB 3.26Å; A91-K95 PolarHBondContact O-N 3.48Å; I92-K95 PolarHBondContact O-N 2.99Å; K95-T98 WeakPolarHBondContact CA-OG1 3.42Å; K95-T98 PolarHBondContact O-N 2.86Å; K95-T98 PolarHBondContact O-OG1 3.3Å; K95-E99 WeakPolarHBondContact CE-OE1 3.32Å; K95-E99 IonicContact NZ-OE1 3.88Å; K95-E99 WeakPolarHBondContact O-CG 3.3Å; K95-E99 PolarHBondContact O-N 3.44Å; K95-E99 VanDerWaalsContact O-N 3.11Å
96R71.9Confident65.2Low156 Ų15692.5 Ų92.559%0.58948%0.481SS*.Hα-helixtrans-63.2-43.2175.6-72.3175.8-179.1-178.6-1.1112I92 A93 T94 T98 E99 E100I92-R96 WeakPolarHBondContact O-CG 3.43Å; I92-R96 PolarHBondContact O-N 2.96Å; I92-R96 VanDerWaalsContact O-N 3.13Å; A93-R96 PolarHBondContact O-N 3.32Å; T94-R96 VanDerWaalsContact C-N 3.32Å; T94-R96 PolarHBondContact O-N 2.93Å; R96-T98 VanDerWaalsContact C-N 3.32Å; R96-T98 PolarHBondContact O-N 3.48Å; R96-E99 PolarHBondContact O-N 2.95Å; R96-E100 WeakPolarHBondContact O-CB 3.3Å; R96-E100 WeakPolarHBondContact O-CG 3.49Å; R96-E100 PolarHBondContact O-N 3.4Å
97M64.4Low62.6Low93 Ų9396.1 Ų96.146%0.45851%0.511SS..Hα-helixtrans-61.1-40.2176.7-67.8-178.7-170.700112.1A93 T94 E99 E100 T101A93-M97 WeakPolarHBondContact O-CG 3.21Å; A93-M97 PolarHBondContact O-N 3.34Å; T94-M97 PolarHBondContact O-N 3.41Å; M97-E99 VanDerWaalsContact C-N 3.34Å; M97-E100 PolarHBondContact O-N 2.96Å; M97-T101 WeakPolarHBondContact O-CG2 3.15Å; M97-T101 PolarHBondContact O-N 3.25Å; M97-T101 VanDerWaalsContact O-N 3.09Å; M97-T101 PolarHBondContact O-OG1 3.14Å
98T63.8Low60.5Low91 Ų91104.6 Ų104.656%0.55854%0.54SS*.Hα-helixtrans-70.9-28178.851.20000113.6T94 K95 R96 T101T94-T98 PolarHBondContact O-N 2.88Å; T94-T98 PolarHBondContact O-OG1 3.01Å; K95-T98 WeakPolarHBondContact CA-OG1 3.42Å; K95-T98 PolarHBondContact O-N 2.86Å; K95-T98 PolarHBondContact O-OG1 3.3Å; R96-T98 VanDerWaalsContact C-N 3.32Å; R96-T98 PolarHBondContact O-N 3.48Å; T98-T101 WeakPolarHBondContact CA-OG1 3.47Å; T98-T101 PolarHBondContact O-OG1 3.5Å
99E60.9Low58Low121 Ų121104.8 Ų104.857%0.56556%0.563SS**Hα-helixtrans-79.4-31.3174.8-71171-178.300111.3K95 R96 M97K95-E99 WeakPolarHBondContact CE-OE1 3.32Å; K95-E99 IonicContact NZ-OE1 3.88Å; K95-E99 WeakPolarHBondContact O-CG 3.3Å; K95-E99 PolarHBondContact O-N 3.44Å; K95-E99 VanDerWaalsContact O-N 3.11Å; R96-E99 PolarHBondContact O-N 2.95Å; M97-E99 VanDerWaalsContact C-N 3.34Å
100E55.9Low56Low104 Ų104108.6 Ų108.649%0.48659%0.59SS.*Hα-helixtrans-77.4-21.3176.9-75.1172-169.400112.8R96 M97 D102 A103 I105R96-E100 WeakPolarHBondContact O-CB 3.3Å; R96-E100 WeakPolarHBondContact O-CG 3.49Å; R96-E100 PolarHBondContact O-N 3.4Å; M97-E100 PolarHBondContact O-N 2.96Å; E100-D102 PolarHBondContact O-N 3.06Å; E100-A103 PolarHBondContact O-N 2.74Å; E100-I105 HydrophobicContact CB-CD1 3.99Å; E100-I105 HydrophobicContact CG-CD1 4.17Å
101T54Low54.3Low111 Ų111107.7 Ų107.768%0.68160%0.601SS**THydrogen-bonded Turntrans-69.2-6.9178.538.20000115.9M97 T98M97-T101 WeakPolarHBondContact O-CG2 3.15Å; M97-T101 PolarHBondContact O-N 3.25Å; M97-T101 VanDerWaalsContact O-N 3.09Å; M97-T101 PolarHBondContact O-OG1 3.14Å; T98-T101 WeakPolarHBondContact CA-OG1 3.47Å; T98-T101 PolarHBondContact O-OG1 3.5Å
102D49.2Very low53.2Low164 Ų164110.6 Ų110.688%0.87761%0.605SS**THydrogen-bonded Turntrans-93.6-0.5169.4-80.8-22.4000113.1E100E100-D102 PolarHBondContact O-N 3.06Å
103A48.4Very low52.5Low57 Ų57117.8 Ų117.847%0.47164%0.635SS.*SBendtrans-119.9129.6171.900000109.2E100 I105E100-A103 PolarHBondContact O-N 2.74Å; A103-I105 PolarHBondContact O-N 2.87Å
104D40.4Very low52.2Low171 Ų171120.4 Ų120.491%0.91464%0.643SS**  trans-45.7107.7173.9-74.6-47000111.1
105I47.3Very low52.9Low114 Ų114119.5 Ų119.559%0.58564%0.638SS**  trans-127.6107.3169.8-58.8-176.8000109.7E100 A103 A107E100-I105 HydrophobicContact CB-CD1 3.99Å; E100-I105 HydrophobicContact CG-CD1 4.17Å; A103-I105 PolarHBondContact O-N 2.87Å; I105-A107 PolarHBondContact O-N 2.97Å
106D42Very low53.6Low145 Ų145119.7 Ų119.778%0.77564%0.641SS**  trans-37.6119.5167.8-59.3-40.8000112.8Y108D106-Y108 PolarHBondContact O-N 2.64Å
107A34.7Very low54.5Low87 Ų87114.1 Ų114.172%0.71962%0.62SS**THydrogen-bonded Turntrans-51.5126.5160.100000109.1I105I105-A107 PolarHBondContact O-N 2.97Å
108Y36.8Very low55.7Low240 Ų240116 Ų11694%0.94162%0.622SS**THydrogen-bonded Turntrans129.40163.3-82.5-87.5000118D106D106-Y108 PolarHBondContact O-N 2.64Å
109G29.8Very low57.1Low70 Ų70117.6 Ų117.672%0.72262%0.618SS**  trans-104.7-19.3-170.900000120.4V111G109-V111 PolarHBondContact O-N 3Å; G109-V111 VanDerWaalsContact O-N 3.15Å
110C33.6Very low58.6Low107 Ų107112.8 Ų112.872%0.72360%0.597SS**  trans-94.480.3-159.8-153.20000114.4Q112C110-Q112 PolarHBondContact O-N 3.39Å; C110-Q112 WeakPolarHBondContact SG-CG 3.48Å
111V35.9Very low60.4Low143 Ų143107.9 Ų107.987%0.86757%0.574SS**  trans-70.989.3155.3-178.90000106.6G109 K113G109-V111 PolarHBondContact O-N 3Å; G109-V111 VanDerWaalsContact O-N 3.15Å; V111-K113 PolarHBondContact O-N 2.97Å
112Q52.6Low62.3Low114 Ų114106 Ų10653%0.53356%0.562SS.*  trans-60.8107.2-179.7-75.9-167.3-17.300109.9C110 E114C110-Q112 PolarHBondContact O-N 3.39Å; C110-Q112 WeakPolarHBondContact SG-CG 3.48Å; Q112-E114 PolarHBondContact O-N 3.48Å
113K60.7Low64.4Low195 Ų195100.1 Ų100.185%0.84854%0.536SS*.PPolyproline II helixtrans-51.1122.9170.3-174177.5-178.5179.70108.3V111 S115V111-K113 PolarHBondContact O-N 2.97Å; K113-S115 PolarHBondContact O-N 3.18Å
114E70Confident66.6Low83 Ų8397.4 Ų97.439%0.38851%0.514SS..PPolyproline II helixtrans-54.2127.2-177.8-165.3175.6-158.800110.3Q112 R118 R119Q112-E114 PolarHBondContact O-N 3.48Å; E114-R118 HydrophobicContact CG-CB 3.97Å; E114-R118 HydrophobicContact CG-CG 3.95Å; E114-R118 WeakPolarHBondContact OE1-CG 3.37Å; E114-R118 IonicContact OE1-NE 2.74Å; E114-R119 HydrophobicContact CB-CG 4.33Å; E114-R119 HydrophobicContact CG-CG 3.95Å
115S85.6Confident69.1Low30 Ų3089.6 Ų89.621%0.2147%0.472CS..PPolyproline II helixtrans-63.6155.4-177.672.50000111D89 K113 R117 R118 R119D89-S115 WeakPolarHBondContact OD1-CB 3.34Å; D89-S115 PolarHBondContact OD1-OG 2.95Å; D89-S115 WeakPolarHBondContact OD2-CB 3.44Å; D89-S115 PolarHBondContact OD2-OG 2.72Å; K113-S115 PolarHBondContact O-N 3.18Å; S115-R117 PolarHBondContact O-N 3.36Å; S115-R118 PolarHBondContact O-N 3.08Å; S115-R118 WeakPolarHBondContact OG-CB 3.18Å; S115-R118 PolarHBondContact OG-N 2.77Å; S115-R119 WeakPolarHBondContact O-CG 3.45Å; S115-R119 PolarHBondContact O-N 3.04Å; S115-R119 VanDerWaalsContact O-N 3.08Å
116E87.9Confident71.3Confident117 Ų11787.3 Ų87.355%0.54748%0.476SS..Hα-helixtrans-62.1-35.4175.1-46.1-151.9122.100111.9R119 V120 L205E116-R119 PolarHBondContact O-N 2.99Å; E116-R119 IonicContact OE1-NH2 3.53Å; E116-R119 PolarHBondContact OE1-NH2 3.11Å; E116-R119 VanDerWaalsContact OE1-NH2 3.09Å; E116-V120 WeakPolarHBondContact O-CG2 3.48Å; E116-V120 PolarHBondContact O-N 2.89Å; E116-V120 VanDerWaalsContact O-N 3.08Å; E116-L205 HydrophobicContact CB-CD2 3.81Å
117R90.3Very high73.7Confident39 Ų3985.6 Ų85.615%0.14747%0.467CS..Hα-helixtrans-61.2-49.5175.4-69.1-174.2-163.783.93.4111.2F85 D89 S115 R119 V120 C121 L205 E208F85-R117 HydrophobicContact CD1-CB 4.26Å; F85-R117 HydrophobicContact CD1-CG 4.39Å; F85-R117 HydrophobicContact CE1-CB 3.86Å; F85-R117 HydrophobicContact CE1-CG 3.69Å; F85-R117 HydrophobicContact CE2-CG 4.32Å; F85-R117 HydrophobicContact CZ-CB 4.35Å; F85-R117 HydrophobicContact CZ-CG 3.66Å; D89-R117 HydrophobicContact CB-CB 4.11Å; D89-R117 IonicContact OD1-NH1 3.72Å; S115-R117 PolarHBondContact O-N 3.36Å; R117-R119 PolarHBondContact O-N 3.45Å; R117-V120 WeakPolarHBondContact O-CB 3.42Å; R117-V120 PolarHBondContact O-N 3.07Å; R117-C121 PolarHBondContact O-N 3.5Å; R117-C121 PolarHBondContact O-SG 2.97Å; R117-C121 VanDerWaalsContact O-SG 3.41Å; R117-L205 HydrophobicContact CB-CD1 4.47Å; R117-L205 HydrophobicContact CG-CD1 3.38Å; R117-E208 IonicContact CZ-OE2 4Å; R117-E208 IonicContact NE-OE2 3.09Å; R117-E208 PolarHBondContact NE-OE2 2.69Å; R117-E208 VanDerWaalsContact NH2-CD 3.29Å; R117-E208 IonicContact NH2-OE1 2.87Å; R117-E208 PolarHBondContact NH2-OE1 3.47Å; R117-E208 IonicContact NH2-OE2 3.8Å; R117-E208 PolarHBondContact NH2-OE2 3Å
118R90.2Very high76.5Confident132 Ų13284.1 Ų84.150%0.49844%0.444SS..Hα-helixtrans-62.9-41.6-179.4-173.3172.5170.7-176.53.9111.7E114 S115 V120 C121 V122E114-R118 HydrophobicContact CG-CB 3.97Å; E114-R118 HydrophobicContact CG-CG 3.95Å; E114-R118 WeakPolarHBondContact OE1-CG 3.37Å; E114-R118 IonicContact OE1-NE 2.74Å; S115-R118 PolarHBondContact O-N 3.08Å; S115-R118 WeakPolarHBondContact OG-CB 3.18Å; S115-R118 PolarHBondContact OG-N 2.77Å; R118-V120 VanDerWaalsContact C-N 3.33Å; R118-V120 PolarHBondContact O-N 3Å; R118-C121 PolarHBondContact O-N 3Å; R118-V122 HydrophobicContact CG-CG2 4.37Å; R118-V122 WeakPolarHBondContact O-CG2 3.25Å; R118-V122 PolarHBondContact O-N 2.86Å
119R92.5Very high79.2Confident125 Ų12574.2 Ų74.247%0.47241%0.406SS..Hα-helixtrans-58.8-42.3173.8-71.6-173.5-65.1162.74.8112.5E114 S115 E116 R117 A123E114-R119 HydrophobicContact CB-CG 4.33Å; E114-R119 HydrophobicContact CG-CG 3.95Å; S115-R119 WeakPolarHBondContact O-CG 3.45Å; S115-R119 PolarHBondContact O-N 3.04Å; S115-R119 VanDerWaalsContact O-N 3.08Å; E116-R119 PolarHBondContact O-N 2.99Å; E116-R119 IonicContact OE1-NH2 3.53Å; E116-R119 PolarHBondContact OE1-NH2 3.11Å; E116-R119 VanDerWaalsContact OE1-NH2 3.09Å; R117-R119 PolarHBondContact O-N 3.45Å; R119-A123 VanDerWaalsContact O-CB 3.29Å; R119-A123 WeakPolarHBondContact O-CB 3.33Å; R119-A123 PolarHBondContact O-N 3.2Å
120V93.4Very high82.1Confident21 Ų2175.5 Ų75.513%0.12740%0.402CS..Hα-helixtrans-63.1-46.6175.2169.30000111.1C64 L68 E116 R117 R118 A123 A124 L205C64-V120 HydrophobicContact CB-CG1 3.67Å; C64-V120 HydrophobicContact CB-CG2 4.05Å; L68-V120 HydrophobicContact CD1-CG1 4.06Å; E116-V120 WeakPolarHBondContact O-CG2 3.48Å; E116-V120 PolarHBondContact O-N 2.89Å; E116-V120 VanDerWaalsContact O-N 3.08Å; R117-V120 WeakPolarHBondContact O-CB 3.42Å; R117-V120 PolarHBondContact O-N 3.07Å; R118-V120 VanDerWaalsContact C-N 3.33Å; R118-V120 PolarHBondContact O-N 3Å; V120-A123 PolarHBondContact O-N 2.92Å; V120-A124 WeakPolarHBondContact O-CB 3.05Å; V120-A124 PolarHBondContact O-N 3.08Å; V120-L205 HydrophobicContact CG2-CD2 3.96Å
121C93.5Very high84.7Confident1 Ų175.7 Ų75.71%0.00741%0.411CS..Hα-helixtrans-61.2-47178.3-65.60000111.8I82 R117 R118 A123 A124 I125 L135I82-C121 HydrophobicContact CG2-CB 4.14Å; R117-C121 PolarHBondContact O-N 3.5Å; R117-C121 PolarHBondContact O-SG 2.97Å; R117-C121 VanDerWaalsContact O-SG 3.41Å; R118-C121 PolarHBondContact O-N 3Å; C121-A123 VanDerWaalsContact C-N 3.34Å; C121-A123 PolarHBondContact O-N 2.79Å; C121-A124 WeakPolarHBondContact O-CB 3.19Å; C121-A124 PolarHBondContact O-N 2.85Å; C121-I125 WeakPolarHBondContact O-CG1 3.22Å; C121-I125 PolarHBondContact O-N 2.81Å; C121-L135 HydrophobicContact CB-CD1 4.03Å; C121-L135 HydrophobicContact CB-CD2 3.94Å
122V93.3Very high87.2Confident70 Ų7072.4 Ų72.442%0.42441%0.406SS..Hα-helixtrans-61.7-42.5178.1172.70000111.2R118 A124 I125 G126 L135R118-V122 HydrophobicContact CG-CG2 4.37Å; R118-V122 WeakPolarHBondContact O-CG2 3.25Å; R118-V122 PolarHBondContact O-N 2.86Å; V122-A124 VanDerWaalsContact C-N 3.35Å; V122-A124 PolarHBondContact O-N 2.94Å; V122-I125 PolarHBondContact O-N 2.78Å; V122-G126 PolarHBondContact O-N 2.71Å; V122-G126 VanDerWaalsContact O-N 3.1Å; V122-L135 HydrophobicContact CG2-CD2 4.5Å
123A93.7Very high89Confident41 Ų4170 Ų7034%0.33939%0.394SS..Hα-helixtrans-63-40.7175.300000112.2L65 R119 V120 C121 G126 L127L65-A123 HydrophobicContact CD1-CB 4.42Å; L65-A123 HydrophobicContact CD2-CB 4.22Å; R119-A123 VanDerWaalsContact O-CB 3.29Å; R119-A123 WeakPolarHBondContact O-CB 3.33Å; R119-A123 PolarHBondContact O-N 3.2Å; V120-A123 PolarHBondContact O-N 2.92Å; C121-A123 VanDerWaalsContact C-N 3.34Å; C121-A123 PolarHBondContact O-N 2.79Å; A123-G126 PolarHBondContact O-N 3.19Å; A123-L127 VanDerWaalsContact O-CG 3.29Å; A123-L127 WeakPolarHBondContact O-CG 3.47Å; A123-L127 PolarHBondContact O-N 3.37Å; A123-L127 VanDerWaalsContact O-N 3.14Å
124A93.8Very high90.5Very high0 Ų063.7 Ų63.70%037%0.372CS..Hα-helixtrans-65-42.5176.900000112.3L65 L68 I82 V120 C121 V122 G126 L127 F128L65-A124 HydrophobicContact CD2-CB 4.27Å; L68-A124 HydrophobicContact CD1-CB 3.46Å; L68-A124 VanDerWaalsContact CD1-CB 3.46Å; I82-A124 HydrophobicContact CD1-CB 4.03Å; V120-A124 WeakPolarHBondContact O-CB 3.05Å; V120-A124 PolarHBondContact O-N 3.08Å; C121-A124 WeakPolarHBondContact O-CB 3.19Å; C121-A124 PolarHBondContact O-N 2.85Å; V122-A124 VanDerWaalsContact C-N 3.35Å; V122-A124 PolarHBondContact O-N 2.94Å; A124-G126 VanDerWaalsContact C-N 3.34Å; A124-G126 PolarHBondContact O-N 2.63Å; A124-L127 PolarHBondContact O-N 2.76Å; A124-L127 VanDerWaalsContact O-N 3.13Å; A124-F128 HydrophobicContact CB-CD2 4.05Å; A124-F128 HydrophobicContact CB-CE2 3.98Å; A124-F128 WeakPolarHBondContact O-CD2 3.39Å; A124-F128 PolarHBondContact O-N 2.73Å
125I94Very high91.4Very high7 Ų760.9 Ų60.94%0.03636%0.359CS..Hα-helixtrans-56.4-50174-67.6-63.7000110.4I82 C121 V122 L127 F128 F129 F133 L135 L138I82-I125 HydrophobicContact CG2-CD1 4.31Å; C121-I125 WeakPolarHBondContact O-CG1 3.22Å; C121-I125 PolarHBondContact O-N 2.81Å; V122-I125 PolarHBondContact O-N 2.78Å; I125-L127 PolarHBondContact O-N 2.86Å; I125-F128 PolarHBondContact O-N 3.43Å; I125-F129 HydrophobicContact CD1-CD2 3.8Å; I125-F129 HydrophobicContact CD1-CE2 3.92Å; I125-F129 HydrophobicContact CD1-CG 4.25Å; I125-F129 HydrophobicContact CD1-CZ 4.47Å; I125-F129 HydrophobicContact CG2-CB 4.41Å; I125-F129 WeakPolarHBondContact O-CB 3.46Å; I125-F129 PolarHBondContact O-N 3.38Å; I125-F133 HydrophobicContact CD1-CD1 4.27Å; I125-F133 HydrophobicContact CD1-CE1 4.33Å; I125-F133 HydrophobicContact CG2-CD1 4.15Å; I125-F133 WeakPolarHBondContact CG2-O 3.49Å; I125-L135 HydrophobicContact CG1-CB 4.37Å; I125-L135 HydrophobicContact CG1-CD1 4.32Å; I125-L138 HydrophobicContact CD1-CB 4.06Å; I125-L138 HydrophobicContact CD1-CD1 3.49Å; I125-L138 VanDerWaalsContact CD1-CD1 3.49Å; I125-L138 HydrophobicContact CD1-CG 4.37Å
126G92.7Very high91.5Very high66 Ų6664.9 Ų64.968%0.6838%0.378SS*.Hα-helixtrans-65.3-18.8179.600000114.9V122 A123 A124V122-G126 PolarHBondContact O-N 2.71Å; V122-G126 VanDerWaalsContact O-N 3.1Å; A123-G126 PolarHBondContact O-N 3.19Å; A124-G126 VanDerWaalsContact C-N 3.34Å; A124-G126 PolarHBondContact O-N 2.63Å
127L93Very high91.6Very high109 Ų10962.6 Ų62.657%0.57137%0.369SS*.Hα-helixtrans-93.7-35.4179.4-74.9170.7000113.6L65 A123 A124 I125L65-L127 HydrophobicContact CD1-CD1 4.09Å; L65-L127 HydrophobicContact CD2-CD1 3.98Å; A123-L127 VanDerWaalsContact O-CG 3.29Å; A123-L127 WeakPolarHBondContact O-CG 3.47Å; A123-L127 PolarHBondContact O-N 3.37Å; A123-L127 VanDerWaalsContact O-N 3.14Å; A124-L127 PolarHBondContact O-N 2.76Å; A124-L127 VanDerWaalsContact O-N 3.13Å; I125-L127 PolarHBondContact O-N 2.86Å
128F93.5Very high91.6Very high57 Ų5760.9 Ų60.925%0.2536%0.363CS..Hα-helixtrans-112.1-15.9-169-52.2-51.7000114.5L68 T69 R72 L78 A124 I125L68-F128 HydrophobicContact CB-CE2 3.75Å; L68-F128 HydrophobicContact CB-CZ 4.32Å; T69-F128 WeakPolarHBondContact OG1-CZ 3.42Å; R72-F128 HydrophobicContact CB-CD1 4.42Å; L78-F128 HydrophobicContact CD1-CD2 4.24Å; L78-F128 HydrophobicContact CD2-CB 3.93Å; L78-F128 HydrophobicContact CD2-CD2 4.15Å; L78-F128 HydrophobicContact CD2-CG 4.15Å; A124-F128 HydrophobicContact CB-CD2 4.05Å; A124-F128 HydrophobicContact CB-CE2 3.98Å; A124-F128 WeakPolarHBondContact O-CD2 3.39Å; A124-F128 PolarHBondContact O-N 2.73Å; I125-F128 PolarHBondContact O-N 3.43Å
129F92.8Very high91.4Very high31 Ų3156 Ų5614%0.13635%0.347CS..SBendtrans-111.9159.7-174.7-66.3-99.7000111.5L78 E79 I82 I125 F133 L138L78-F129 HydrophobicContact CD2-CE2 4.12Å; L78-F129 HydrophobicContact CD2-CZ 4.29Å; E79-F129 HydrophobicContact CG-CE1 3.79Å; E79-F129 HydrophobicContact CG-CZ 3.72Å; I82-F129 HydrophobicContact CD1-CE2 3.76Å; I82-F129 HydrophobicContact CD1-CZ 4.3Å; I125-F129 HydrophobicContact CD1-CD2 3.8Å; I125-F129 HydrophobicContact CD1-CE2 3.92Å; I125-F129 HydrophobicContact CD1-CG 4.25Å; I125-F129 HydrophobicContact CD1-CZ 4.47Å; I125-F129 HydrophobicContact CG2-CB 4.41Å; I125-F129 WeakPolarHBondContact O-CB 3.46Å; I125-F129 PolarHBondContact O-N 3.38Å; F129-F133 HydrophobicContact CB-CB 3.99Å; F129-F133 HydrophobicContact CB-CD1 3.61Å; F129-F133 HydrophobicContact CB-CE1 4.38Å; F129-F133 HydrophobicContact CB-CG 4.07Å; F129-F133 AromaticContact CD1-CD1 3.6Å; F129-F133 HydrophobicContact CD1-CD1 3.6Å; F129-F133 AromaticContact CD1-CE1 3.47Å; F129-F133 HydrophobicContact CD1-CE1 3.47Å; F129-F133 VanDerWaalsContact CD1-CE1 3.47Å; F129-F133 HydrophobicContact CD1-CG 4.45Å; F129-F133 HydrophobicContact CD1-CZ 4.27Å; F129-F133 HydrophobicContact CE1-CD1 4.5Å; F129-F133 AromaticContact CE1-CE1 3.98Å; F129-F133 HydrophobicContact CE1-CE1 3.98Å; F129-F133 AromaticContact CG-CD1 3.72Å; F129-F133 HydrophobicContact CG-CD1 3.72Å; F129-F133 HydrophobicContact CG-CE1 4.03Å; F129-L138 HydrophobicContact CE1-CD1 3.94Å; F129-L138 HydrophobicContact CE2-CD1 4.14Å; F129-L138 HydrophobicContact CZ-CD1 3.59Å
130P91Very high91Very high98 Ų9853.9 Ų53.964%0.63635%0.348SS*.  trans-54146.8178.3-26.435.2000112.8G132 F133P130-G132 PolarHBondContact O-N 3.13Å; P130-F133 WeakPolarHBondContact O-CB 3.2Å; P130-F133 PolarHBondContact O-N 3.02Å
131A88.4Confident90.4Very high111 Ų11155.4 Ų55.492%0.91736%0.359SS*.THydrogen-bonded Turntrans-56.4128.5178.400000111.1
132G87.5Confident89.8Confident73 Ų7356.2 Ų56.275%0.75336%0.363SS*.THydrogen-bonded Turntrans95-12.6-176.800000114.6P130P130-G132 PolarHBondContact O-N 3.13Å
133F90.8Very high88.8Confident65 Ų6559.8 Ų59.829%0.28537%0.369SS..  trans-68134.6172.1-162.8-105000110.4I125 F129 P130 D137 L138I125-F133 HydrophobicContact CD1-CD1 4.27Å; I125-F133 HydrophobicContact CD1-CE1 4.33Å; I125-F133 HydrophobicContact CG2-CD1 4.15Å; I125-F133 WeakPolarHBondContact CG2-O 3.49Å; F129-F133 HydrophobicContact CB-CB 3.99Å; F129-F133 HydrophobicContact CB-CD1 3.61Å; F129-F133 HydrophobicContact CB-CE1 4.38Å; F129-F133 HydrophobicContact CB-CG 4.07Å; F129-F133 AromaticContact CD1-CD1 3.6Å; F129-F133 HydrophobicContact CD1-CD1 3.6Å; F129-F133 AromaticContact CD1-CE1 3.47Å; F129-F133 HydrophobicContact CD1-CE1 3.47Å; F129-F133 VanDerWaalsContact CD1-CE1 3.47Å; F129-F133 HydrophobicContact CD1-CG 4.45Å; F129-F133 HydrophobicContact CD1-CZ 4.27Å; F129-F133 HydrophobicContact CE1-CD1 4.5Å; F129-F133 AromaticContact CE1-CE1 3.98Å; F129-F133 HydrophobicContact CE1-CE1 3.98Å; F129-F133 AromaticContact CG-CD1 3.72Å; F129-F133 HydrophobicContact CG-CD1 3.72Å; F129-F133 HydrophobicContact CG-CE1 4.03Å; P130-F133 WeakPolarHBondContact O-CB 3.2Å; P130-F133 PolarHBondContact O-N 3.02Å; F133-D137 HydrophobicContact CD2-CB 3.83Å; F133-D137 HydrophobicContact CE1-CB 4.39Å; F133-D137 HydrophobicContact CE2-CB 3.56Å; F133-D137 HydrophobicContact CG-CB 4.35Å; F133-D137 HydrophobicContact CZ-CB 3.87Å; F133-L138 HydrophobicContact CE1-CB 3.72Å; F133-L138 HydrophobicContact CE1-CD1 4.38Å; F133-L138 HydrophobicContact CE1-CG 4.45Å; F133-L138 HydrophobicContact CZ-CB 4.17Å
134T92.2Very high87.4Confident62 Ų6264.3 Ų64.338%0.3838%0.383SS..  trans-114.2162.7-177.3740000111.8N136 D137 L138T134-N136 PolarHBondContact O-N 3.12Å; T134-N136 PolarHBondContact OG1-N 3.4Å; T134-D137 WeakPolarHBondContact CA-OD2 3.11Å; T134-D137 VanDerWaalsContact CB-OD2 3.3Å; T134-D137 WeakPolarHBondContact CB-OD2 3.42Å; T134-D137 PolarHBondContact N-OD2 3.41Å; T134-D137 WeakPolarHBondContact O-CB 3.4Å; T134-D137 PolarHBondContact O-N 2.97Å; T134-D137 VanDerWaalsContact O-N 3.08Å; T134-D137 PolarHBondContact OG1-N 3.08Å; T134-D137 PolarHBondContact OG1-OD2 3.42Å; T134-L138 PolarHBondContact O-N 3.34Å; T134-L138 VanDerWaalsContact O-N 3.16Å
135L89.5Confident86.1Confident24 Ų2467.9 Ų67.913%0.12641%0.405CS..Hα-helixtrans-58.8-30.1173.2-177.159.7000112.3I82 A86 C121 V122 I125 I139I82-L135 HydrophobicContact CG2-CD1 3.81Å; A86-L135 HydrophobicContact CB-CD1 4.13Å; A86-L135 HydrophobicContact CB-CD2 4.2Å; C121-L135 HydrophobicContact CB-CD1 4.03Å; C121-L135 HydrophobicContact CB-CD2 3.94Å; V122-L135 HydrophobicContact CG2-CD2 4.5Å; I125-L135 HydrophobicContact CG1-CB 4.37Å; I125-L135 HydrophobicContact CG1-CD1 4.32Å; L135-I139 HydrophobicContact CG-CD1 4.07Å; L135-I139 WeakPolarHBondContact O-CD1 3.25Å; L135-I139 VanDerWaalsContact O-CG1 3.24Å; L135-I139 WeakPolarHBondContact O-CG1 3.5Å; L135-I139 PolarHBondContact O-N 3.35Å
136N88Confident84.8Confident114 Ų11469.1 Ų69.161%0.6141%0.413SS*.Hα-helixtrans-71.1-34.9176.3-74.8-22.5000112.1T134 I139 T140T134-N136 PolarHBondContact O-N 3.12Å; T134-N136 PolarHBondContact OG1-N 3.4Å; N136-I139 PolarHBondContact O-N 3.21Å; N136-T140 WeakPolarHBondContact O-CB 3.17Å; N136-T140 PolarHBondContact O-N 3.33Å; N136-T140 PolarHBondContact O-OG1 2.91Å
137D90.1Very high83.2Confident68 Ų6870.4 Ų70.436%0.36440%0.404SS..Hα-helixtrans-65-44.2175.4-55.2-44.2000109.9F133 T134 I139 T140 S141F133-D137 HydrophobicContact CD2-CB 3.83Å; F133-D137 HydrophobicContact CE1-CB 4.39Å; F133-D137 HydrophobicContact CE2-CB 3.56Å; F133-D137 HydrophobicContact CG-CB 4.35Å; F133-D137 HydrophobicContact CZ-CB 3.87Å; T134-D137 WeakPolarHBondContact CA-OD2 3.11Å; T134-D137 VanDerWaalsContact CB-OD2 3.3Å; T134-D137 WeakPolarHBondContact CB-OD2 3.42Å; T134-D137 PolarHBondContact N-OD2 3.41Å; T134-D137 WeakPolarHBondContact O-CB 3.4Å; T134-D137 PolarHBondContact O-N 2.97Å; T134-D137 VanDerWaalsContact O-N 3.08Å; T134-D137 PolarHBondContact OG1-N 3.08Å; T134-D137 PolarHBondContact OG1-OD2 3.42Å; D137-I139 PolarHBondContact O-N 2.94Å; D137-T140 PolarHBondContact O-N 3.41Å; D137-S141 WeakPolarHBondContact O-CB 3.46Å; D137-S141 PolarHBondContact O-N 3.46Å
138L89.6Confident81.6Confident3 Ų368.5 Ų68.52%0.01640%0.4CS..Hα-helixtrans-58.2-47.4173-169.8141.8000111.9E79 I82 Y83 I125 F129 F133 T134 T140 S141 H142E79-L138 HydrophobicContact CB-CD1 4.44Å; E79-L138 HydrophobicContact CG-CD1 4.23Å; I82-L138 HydrophobicContact CB-CD1 4.21Å; I82-L138 HydrophobicContact CB-CD2 4.42Å; I82-L138 HydrophobicContact CD1-CD1 4.44Å; I82-L138 HydrophobicContact CG2-CD1 4.06Å; I82-L138 HydrophobicContact CG2-CD2 4.19Å; Y83-L138 HydrophobicContact CD2-CD2 4.45Å; I125-L138 HydrophobicContact CD1-CB 4.06Å; I125-L138 HydrophobicContact CD1-CD1 3.49Å; I125-L138 VanDerWaalsContact CD1-CD1 3.49Å; I125-L138 HydrophobicContact CD1-CG 4.37Å; F129-L138 HydrophobicContact CE1-CD1 3.94Å; F129-L138 HydrophobicContact CE2-CD1 4.14Å; F129-L138 HydrophobicContact CZ-CD1 3.59Å; F133-L138 HydrophobicContact CE1-CB 3.72Å; F133-L138 HydrophobicContact CE1-CD1 4.38Å; F133-L138 HydrophobicContact CE1-CG 4.45Å; F133-L138 HydrophobicContact CZ-CB 4.17Å; T134-L138 PolarHBondContact O-N 3.34Å; T134-L138 VanDerWaalsContact O-N 3.16Å; L138-T140 VanDerWaalsContact C-N 3.26Å; L138-T140 PolarHBondContact O-N 3.26Å; L138-S141 PolarHBondContact O-N 3.37Å; L138-H142 VanDerWaalsContact O-CB 3.32Å; L138-H142 WeakPolarHBondContact O-CB 3.32Å; L138-H142 PolarHBondContact O-N 3.27Å
139I86.7Confident80.1Confident29 Ų2969 Ų6915%0.14940%0.403CS..Hα-helixtrans-61.6-37.3179-72.4166.6000111.6Y83 L135 N136 D137 R143Y83-I139 HydrophobicContact CD2-CB 4.34Å; Y83-I139 HydrophobicContact CD2-CG1 4.01Å; Y83-I139 HydrophobicContact CE2-CB 4.31Å; Y83-I139 HydrophobicContact CE2-CG1 4.31Å; Y83-I139 HydrophobicContact CE2-CG2 4.06Å; L135-I139 HydrophobicContact CG-CD1 4.07Å; L135-I139 WeakPolarHBondContact O-CD1 3.25Å; L135-I139 VanDerWaalsContact O-CG1 3.24Å; L135-I139 WeakPolarHBondContact O-CG1 3.5Å; L135-I139 PolarHBondContact O-N 3.35Å; N136-I139 PolarHBondContact O-N 3.21Å; D137-I139 PolarHBondContact O-N 2.94Å; I139-R143 VanDerWaalsContact O-CG 3.24Å; I139-R143 WeakPolarHBondContact O-CG 3.11Å; I139-R143 PolarHBondContact O-N 3.41Å
140T83.4Confident78.7Confident81 Ų8170.5 Ų70.550%0.49741%0.41SS..Hα-helixtrans-71.9-48.9-179.6-55.70000110.9N136 D137 L138 H142 R143N136-T140 WeakPolarHBondContact O-CB 3.17Å; N136-T140 PolarHBondContact O-N 3.33Å; N136-T140 PolarHBondContact O-OG1 2.91Å; D137-T140 PolarHBondContact O-N 3.41Å; L138-T140 VanDerWaalsContact C-N 3.26Å; L138-T140 PolarHBondContact O-N 3.26Å; T140-H142 PolarHBondContact O-N 3.07Å; T140-R143 WeakPolarHBondContact O-CB 3.46Å; T140-R143 PolarHBondContact O-N 2.83Å
141S82.2Confident77.4Confident53 Ų5370.6 Ų70.637%0.37141%0.405SS..Hα-helixtrans-60.5-46.5177.6176.70000111.9D137 L138 R143 E144D137-S141 WeakPolarHBondContact O-CB 3.46Å; D137-S141 PolarHBondContact O-N 3.46Å; L138-S141 PolarHBondContact O-N 3.37Å; S141-R143 VanDerWaalsContact C-N 3.27Å; S141-R143 PolarHBondContact O-N 3.26Å; S141-E144 WeakPolarHBondContact O-CB 3.32Å; S141-E144 PolarHBondContact O-N 2.97Å; S141-E144 VanDerWaalsContact O-N 3.13Å
142H80.1Confident76.4Confident19 Ų1970.1 Ų70.19%0.08838%0.382CS..Hα-helixtrans-70.1-23.1-177.6-158.175.4000113.5Y83 L138 T140 E144 T145 T146Y83-H142 AromaticContact CD1-CD2 3.32Å; Y83-H142 WeakPolarHBondContact CD1-CD2 3.49Å; Y83-H142 HydrophobicContact CD2-CB 3.85Å; Y83-H142 AromaticContact CE1-CD2 3.73Å; Y83-H142 HydrophobicContact CE2-CB 4.23Å; Y83-H142 HydrophobicContact CG-CB 4.08Å; Y83-H142 AromaticContact CG-CD2 3.46Å; Y83-H142 VanDerWaalsContact CG-CD2 3.46Å; Y83-H142 AromaticContact CG-CG 3.94Å; L138-H142 VanDerWaalsContact O-CB 3.32Å; L138-H142 WeakPolarHBondContact O-CB 3.32Å; L138-H142 PolarHBondContact O-N 3.27Å; T140-H142 PolarHBondContact O-N 3.07Å; H142-E144 VanDerWaalsContact C-N 3.28Å; H142-E144 PolarHBondContact O-N 3.31Å; H142-T145 PolarHBondContact O-N 2.86Å; H142-T146 PolarHBondContact CD2-OG1 2.99Å; H142-T146 VanDerWaalsContact O-CB 3.31Å; H142-T146 WeakPolarHBondContact O-CB 3.14Å; H142-T146 PolarHBondContact O-N 3.36Å; H142-T146 PolarHBondContact O-OG1 2.87Å
143R71.9Confident75.4Confident144 Ų14467.5 Ų67.554%0.54335%0.352SS..Hα-helixtrans-62.1-37.8172.4-85.3173.1176.2-170.50.5111.4Y83 I139 T140 S141 T146 N147Y83-R143 HydrophobicContact CE2-CG 4.41Å; I139-R143 VanDerWaalsContact O-CG 3.24Å; I139-R143 WeakPolarHBondContact O-CG 3.11Å; I139-R143 PolarHBondContact O-N 3.41Å; T140-R143 WeakPolarHBondContact O-CB 3.46Å; T140-R143 PolarHBondContact O-N 2.83Å; S141-R143 VanDerWaalsContact C-N 3.27Å; S141-R143 PolarHBondContact O-N 3.26Å; R143-T146 PolarHBondContact O-N 3.37Å; R143-N147 PolarHBondContact O-N 3.2Å; R143-N147 PolarHBondContact O-ND2 3.3Å; R143-N147 PolarHBondContact O-OD1 3.47Å
144E65.4Low74.3Confident137 Ų13770.8 Ų70.864%0.6436%0.363SS*.Hα-helixtrans-66.1-44.7178.6-62.6177.1170.800111.1S141 H142 N147S141-E144 WeakPolarHBondContact O-CB 3.32Å; S141-E144 PolarHBondContact O-N 2.97Å; S141-E144 VanDerWaalsContact O-N 3.13Å; H142-E144 VanDerWaalsContact C-N 3.28Å; H142-E144 PolarHBondContact O-N 3.31Å; E144-N147 WeakPolarHBondContact O-CB 3.38Å; E144-N147 PolarHBondContact O-N 3.22Å
145T65.8Low73.2Confident74 Ų7473.9 Ų73.945%0.45437%0.373SS..Hα-helixtrans-65-40.7174.7-41.50000112.1H142 N147 S148H142-T145 PolarHBondContact O-N 2.86Å; T145-N147 PolarHBondContact O-N 3.42Å; T145-S148 WeakPolarHBondContact O-CB 3.4Å; T145-S148 PolarHBondContact O-N 3.03Å; T145-S148 VanDerWaalsContact O-N 3.14Å
146T65.7Low72.3Confident33 Ų3375.4 Ų75.420%0.20238%0.377CS..Hα-helixtrans-62.1-34.1177.7-58.30000111.5H142 R143 S148 H149 Q150H142-T146 PolarHBondContact CD2-OG1 2.99Å; H142-T146 VanDerWaalsContact O-CB 3.31Å; H142-T146 WeakPolarHBondContact O-CB 3.14Å; H142-T146 PolarHBondContact O-N 3.36Å; H142-T146 PolarHBondContact O-OG1 2.87Å; R143-T146 PolarHBondContact O-N 3.37Å; T146-S148 PolarHBondContact O-N 2.9Å; T146-H149 PolarHBondContact O-N 2.93Å; T146-Q150 HydrophobicContact CG2-CG 4.32Å; T146-Q150 WeakPolarHBondContact O-CG 3.4Å; T146-Q150 PolarHBondContact O-N 2.91Å
147N59.3Low71.7Confident93 Ų9371.1 Ų71.150%0.49736%0.356SS..Hα-helixtrans-60.5-33.9177-68.1-22.5000112.2R143 E144 T145 Q150 L151R143-N147 PolarHBondContact O-N 3.2Å; R143-N147 PolarHBondContact O-ND2 3.3Å; R143-N147 PolarHBondContact O-OD1 3.47Å; E144-N147 WeakPolarHBondContact O-CB 3.38Å; E144-N147 PolarHBondContact O-N 3.22Å; T145-N147 PolarHBondContact O-N 3.42Å; N147-Q150 PolarHBondContact O-N 3.26Å; N147-L151 PolarHBondContact O-N 3.46Å
148S59.5Low70.8Confident70 Ų7072.1 Ų72.149%0.4937%0.374SS..Hα-helixtrans-64.4-45.7175.2-176.60000112.1T145 T146 Q150 L151 K152T145-S148 WeakPolarHBondContact O-CB 3.4Å; T145-S148 PolarHBondContact O-N 3.03Å; T145-S148 VanDerWaalsContact O-N 3.14Å; T146-S148 PolarHBondContact O-N 2.9Å; S148-Q150 VanDerWaalsContact C-N 3.31Å; S148-Q150 PolarHBondContact O-N 2.92Å; S148-L151 WeakPolarHBondContact O-CB 3.3Å; S148-L151 PolarHBondContact O-N 3.23Å; S148-L151 VanDerWaalsContact O-N 3.15Å; S148-K152 PolarHBondContact O-N 3.48Å
149H62Low70.1Confident68 Ų6877.4 Ų77.432%0.31541%0.406SS..Hα-helixtrans-63.3-38.5172.9-72.8-87.3000112T146 L151 K152 V153 D223T146-H149 PolarHBondContact O-N 2.93Å; H149-L151 VanDerWaalsContact C-N 3.27Å; H149-L151 PolarHBondContact O-N 3.16Å; H149-K152 PolarHBondContact O-N 3.08Å; H149-V153 WeakPolarHBondContact O-CG2 3.35Å; H149-V153 PolarHBondContact O-N 2.99Å; H149-D223 IonicContact CE1-OD1 3.13Å; H149-D223 PolarHBondContact CE1-OD1 2.98Å; H149-D223 IonicContact CE1-OD2 3.16Å; H149-D223 PolarHBondContact CE1-OD2 3.19Å; H149-D223 VanDerWaalsContact CE1-OD2 3.27Å; H149-D223 IonicContact ND1-OD1 2.62Å; H149-D223 PolarHBondContact ND1-OD1 2.53Å; H149-D223 VanDerWaalsContact ND1-OD1 3.16Å; H149-D223 IonicContact ND1-OD2 3.18Å
150Q64.1Low69.9Low61 Ų6177.8 Ų77.829%0.28541%0.408SS..Hα-helixtrans-63-36175.3-70.6-173.412.600111.7T146 N147 S148 V153 Y154T146-Q150 HydrophobicContact CG2-CG 4.32Å; T146-Q150 WeakPolarHBondContact O-CG 3.4Å; T146-Q150 PolarHBondContact O-N 2.91Å; N147-Q150 PolarHBondContact O-N 3.26Å; S148-Q150 VanDerWaalsContact C-N 3.31Å; S148-Q150 PolarHBondContact O-N 2.92Å; Q150-V153 CarbonylContact O-C 3.41Å; Q150-V153 WeakPolarHBondContact O-CB 3.45Å; Q150-V153 PolarHBondContact O-N 3.19Å; Q150-Y154 VanDerWaalsContact C-CD2 3.48Å; Q150-Y154 HydrophobicContact CB-CD2 4.13Å; Q150-Y154 HydrophobicContact CB-CE2 3.84Å; Q150-Y154 WeakPolarHBondContact O-CD2 3.25Å; Q150-Y154 PolarHBondContact O-N 3.44Å
151L64.2Low70Confident101 Ų10177.9 Ų77.953%0.52941%0.406SS..Hα-helixtrans-61-47.4177.5-165.868000111.7N147 S148 H149 V153 Y154 E155N147-L151 PolarHBondContact O-N 3.46Å; S148-L151 WeakPolarHBondContact O-CB 3.3Å; S148-L151 PolarHBondContact O-N 3.23Å; S148-L151 VanDerWaalsContact O-N 3.15Å; H149-L151 VanDerWaalsContact C-N 3.27Å; H149-L151 PolarHBondContact O-N 3.16Å; L151-V153 VanDerWaalsContact C-N 3.26Å; L151-V153 PolarHBondContact O-N 2.94Å; L151-Y154 WeakPolarHBondContact O-CB 3.35Å; L151-Y154 PolarHBondContact O-N 3.39Å; L151-E155 WeakPolarHBondContact O-CG 3.38Å; L151-E155 PolarHBondContact O-N 3.42Å
152K67.2Low70.2Confident100 Ų10081.8 Ų81.844%0.43542%0.419SS..Hα-helixtrans-57.1-40.6173.9-66.2-175.7178.4-176.80112S148 H149 R156 S227S148-K152 PolarHBondContact O-N 3.48Å; H149-K152 PolarHBondContact O-N 3.08Å; K152-R156 PolarHBondContact O-N 2.91Å; K152-R156 VanDerWaalsContact O-N 3.13Å; K152-S227 PolarHBondContact NZ-OG 3.34Å
153V66.9Low70.6Confident19 Ų1987.8 Ų87.812%0.11544%0.444CS..Hα-helixtrans-67.5-40.2175.4174.20000111.5H149 Q150 L151 R156 C157 L168H149-V153 WeakPolarHBondContact O-CG2 3.35Å; H149-V153 PolarHBondContact O-N 2.99Å; Q150-V153 CarbonylContact O-C 3.41Å; Q150-V153 WeakPolarHBondContact O-CB 3.45Å; Q150-V153 PolarHBondContact O-N 3.19Å; L151-V153 VanDerWaalsContact C-N 3.26Å; L151-V153 PolarHBondContact O-N 2.94Å; V153-R156 WeakPolarHBondContact O-CB 3.27Å; V153-R156 PolarHBondContact O-N 3.38Å; V153-C157 PolarHBondContact O-N 2.96Å; V153-C157 PolarHBondContact O-SG 2.91Å; V153-L168 HydrophobicContact CG1-CD2 4.36Å
154Y66.5Low71.2Confident134 Ų13484.4 Ų84.453%0.52544%0.435SS..Hα-helixtrans-63.2-43.7177-78-62000111.9Q150 L151 R156 C157 A158Q150-Y154 VanDerWaalsContact C-CD2 3.48Å; Q150-Y154 HydrophobicContact CB-CD2 4.13Å; Q150-Y154 HydrophobicContact CB-CE2 3.84Å; Q150-Y154 WeakPolarHBondContact O-CD2 3.25Å; Q150-Y154 PolarHBondContact O-N 3.44Å; L151-Y154 WeakPolarHBondContact O-CB 3.35Å; L151-Y154 PolarHBondContact O-N 3.39Å; Y154-R156 VanDerWaalsContact C-N 3.28Å; Y154-R156 PolarHBondContact O-N 2.87Å; Y154-C157 WeakPolarHBondContact O-CB 3.4Å; Y154-C157 PolarHBondContact O-N 3.12Å; Y154-A158 PolarHBondContact O-N 3.46Å
155E70.3Confident72.2Confident127 Ų12783.4 Ų83.459%0.59343%0.426SS*.Hα-helixtrans-58-43.5174.2-71.4173.6169.700111L151 A158L151-E155 WeakPolarHBondContact O-CG 3.38Å; L151-E155 PolarHBondContact O-N 3.42Å; E155-A158 WeakPolarHBondContact O-CB 3.48Å; E155-A158 PolarHBondContact O-N 2.81Å
156R70.1Confident73.3Confident55 Ų5585.9 Ų85.921%0.20843%0.43CS..Hα-helixtrans-63.4-43.7175.9-168.8175.4-179.9-152.61.2112.3F16 G19 D20 K152 V153 Y154 A158 T159F16-R156 VanDerWaalsContact CE2-NH2 3.27Å; F16-R156 PolarHBondContact O-NH1 3.04Å; G19-R156 VanDerWaalsContact CA-NH1 3.26Å; G19-R156 VanDerWaalsContact O-CZ 3.31Å; D20-R156 PolarHBondContact O-NH1 2.97Å; D20-R156 PolarHBondContact O-NH2 3.06Å; K152-R156 PolarHBondContact O-N 2.91Å; K152-R156 VanDerWaalsContact O-N 3.13Å; V153-R156 WeakPolarHBondContact O-CB 3.27Å; V153-R156 PolarHBondContact O-N 3.38Å; Y154-R156 VanDerWaalsContact C-N 3.28Å; Y154-R156 PolarHBondContact O-N 2.87Å; R156-A158 PolarHBondContact O-N 3.21Å; R156-A158 VanDerWaalsContact O-N 3.17Å; R156-T159 PolarHBondContact O-N 3.34Å; R156-T159 VanDerWaalsContact O-N 3.16Å; R156-T159 PolarHBondContact O-OG1 3.31Å
157C73.9Confident74.4Confident24 Ų2487.2 Ų87.216%0.16243%0.434CS..Hα-helixtrans-57.5-28.4178.4-72.10000113V153 Y154 T159 L160 Y165V153-C157 PolarHBondContact O-N 2.96Å; V153-C157 PolarHBondContact O-SG 2.91Å; Y154-C157 WeakPolarHBondContact O-CB 3.4Å; Y154-C157 PolarHBondContact O-N 3.12Å; C157-T159 PolarHBondContact O-N 2.84Å; C157-T159 VanDerWaalsContact O-N 3.13Å; C157-L160 PolarHBondContact O-N 2.98Å; C157-Y165 HydrophobicContact CB-CD2 4.29Å; C157-Y165 HydrophobicContact CB-CE2 4.28Å
158A72.7Confident75.6Confident89 Ų8982.9 Ų82.974%0.73641%0.411SS*.THydrogen-bonded Turntrans-61.6-20.8179.900000113.6Y154 E155 R156Y154-A158 PolarHBondContact O-N 3.46Å; E155-A158 WeakPolarHBondContact O-CB 3.48Å; E155-A158 PolarHBondContact O-N 2.81Å; R156-A158 PolarHBondContact O-N 3.21Å; R156-A158 VanDerWaalsContact O-N 3.17Å
159T74.9Confident76.9Confident114 Ų11482.3 Ų82.370%0.69941%0.407SS*.THydrogen-bonded Turntrans-102.8-6-177.964.80000114.2R156 C157R156-T159 PolarHBondContact O-N 3.34Å; R156-T159 VanDerWaalsContact O-N 3.16Å; R156-T159 PolarHBondContact O-OG1 3.31Å; C157-T159 PolarHBondContact O-N 2.84Å; C157-T159 VanDerWaalsContact O-N 3.13Å
160L81.5Confident78.2Confident37 Ų3784.9 Ų84.919%0.19442%0.415CS..  trans-90.6142.9-171.6-61.3-178.1000112.3C157 Q164 L168C157-L160 PolarHBondContact O-N 2.98Å; L160-Q164 HydrophobicContact CB-CB 3.96Å; L160-Q164 HydrophobicContact CD1-CB 4.48Å; L160-Q164 HydrophobicContact CD2-CB 4.01Å; L160-Q164 HydrophobicContact CG-CB 4.35Å; L160-L168 HydrophobicContact CD1-CB 4.24Å; L160-L168 HydrophobicContact CD1-CD2 3.53Å
161N86.4Confident79.3Confident84 Ų8482.2 Ų82.245%0.44940%0.403SS..  trans-76.5168.3166.868.546.2000111.6K163 Q164 Y165N161-K163 VanDerWaalsContact C-N 3.25Å; N161-K163 PolarHBondContact O-N 3.42Å; N161-K163 WeakPolarHBondContact OD1-CB 3.43Å; N161-K163 PolarHBondContact OD1-N 3.24Å; N161-K163 VanDerWaalsContact OD1-N 3.09Å; N161-Q164 VanDerWaalsContact CG-OE1 3.3Å; N161-Q164 PolarHBondContact ND2-OE1 3.15Å; N161-Q164 PolarHBondContact O-N 3.39Å; N161-Q164 VanDerWaalsContact O-N 3.16Å; N161-Q164 WeakPolarHBondContact OD1-CG 3.26Å; N161-Q164 PolarHBondContact OD1-N 3.36Å; N161-Y165 WeakPolarHBondContact O-CB 3.43Å; N161-Y165 PolarHBondContact O-N 3.15Å
162E86Confident80.2Confident135 Ų13581.9 Ų81.963%0.63140%0.395SS*.Hα-helixtrans-55.3-38.7-177.2-170.3-170.2158.900113.2K166E162-K166 WeakPolarHBondContact O-CG 2.98Å; E162-K166 PolarHBondContact O-N 2.8Å; E162-K166 VanDerWaalsContact OE1-CE 3.26Å; E162-K166 WeakPolarHBondContact OE1-CE 3.13Å; E162-K166 IonicContact OE1-NZ 3.84Å; E162-K166 PolarHBondContact OE1-NZ 3.12Å
163K88.1Confident81Confident145 Ų14581.3 Ų81.363%0.6340%0.4SS*.Hα-helixtrans-66.5-49.5179.1-178.5-177.2172.2-171.80110.8N161 Y165 K166 E167N161-K163 VanDerWaalsContact C-N 3.25Å; N161-K163 PolarHBondContact O-N 3.42Å; N161-K163 WeakPolarHBondContact OD1-CB 3.43Å; N161-K163 PolarHBondContact OD1-N 3.24Å; N161-K163 VanDerWaalsContact OD1-N 3.09Å; K163-Y165 VanDerWaalsContact C-N 3.29Å; K163-Y165 PolarHBondContact O-N 2.74Å; K163-K166 PolarHBondContact O-N 3Å; K163-E167 WeakPolarHBondContact CE-OE1 3.42Å; K163-E167 WeakPolarHBondContact O-CG 3.13Å; K163-E167 PolarHBondContact O-N 2.84Å
164Q85.2Confident81.9Confident73 Ų7381.4 Ų81.434%0.34140%0.4SS..Hα-helixtrans-62.9-37178.1-70.5170.7-4000111.8L160 N161 E167 L168L160-Q164 HydrophobicContact CB-CB 3.96Å; L160-Q164 HydrophobicContact CD1-CB 4.48Å; L160-Q164 HydrophobicContact CD2-CB 4.01Å; L160-Q164 HydrophobicContact CG-CB 4.35Å; N161-Q164 VanDerWaalsContact CG-OE1 3.3Å; N161-Q164 PolarHBondContact ND2-OE1 3.15Å; N161-Q164 PolarHBondContact O-N 3.39Å; N161-Q164 VanDerWaalsContact O-N 3.16Å; N161-Q164 WeakPolarHBondContact OD1-CG 3.26Å; N161-Q164 PolarHBondContact OD1-N 3.36Å; Q164-E167 PolarHBondContact O-N 2.95Å; Q164-L168 WeakPolarHBondContact O-CB 3.37Å; Q164-L168 PolarHBondContact O-N 3.35Å
165Y86.4Confident82.8Confident115 Ų11576.6 Ų76.645%0.45139%0.386SS..Hα-helixtrans-64.9-42.3175.5-179.2-96.8000111.9C157 N161 K163 E167 L168 S169C157-Y165 HydrophobicContact CB-CD2 4.29Å; C157-Y165 HydrophobicContact CB-CE2 4.28Å; N161-Y165 WeakPolarHBondContact O-CB 3.43Å; N161-Y165 PolarHBondContact O-N 3.15Å; K163-Y165 VanDerWaalsContact C-N 3.29Å; K163-Y165 PolarHBondContact O-N 2.74Å; Y165-E167 VanDerWaalsContact C-N 3.35Å; Y165-L168 PolarHBondContact O-N 3.41Å; Y165-S169 VanDerWaalsContact O-CB 3.24Å; Y165-S169 WeakPolarHBondContact O-CB 3.15Å; Y165-S169 PolarHBondContact O-N 3.42Å
166K88.2Confident83.7Confident126 Ų12670.5 Ų70.555%0.54836%0.358SS..Hα-helixtrans-62.4-42.1174.3-74.8176-174.1168.80111.7E162 K163 S169 Y170E162-K166 WeakPolarHBondContact O-CG 2.98Å; E162-K166 PolarHBondContact O-N 2.8Å; E162-K166 VanDerWaalsContact OE1-CE 3.26Å; E162-K166 WeakPolarHBondContact OE1-CE 3.13Å; E162-K166 IonicContact OE1-NZ 3.84Å; E162-K166 PolarHBondContact OE1-NZ 3.12Å; K163-K166 PolarHBondContact O-N 3Å; K166-S169 PolarHBondContact O-N 3.24Å; K166-Y170 WeakPolarHBondContact O-CB 3.38Å; K166-Y170 PolarHBondContact O-N 3.48Å
167E88.2Confident84.4Confident61 Ų6168.2 Ų68.229%0.28535%0.35SS..Hα-helixtrans-62.1-44.9175.3-71.9167.9177.900111.2F16 K163 Q164 Y165 Y170 A171F16-E167 HydrophobicContact CE1-CB 4.07Å; K163-E167 WeakPolarHBondContact CE-OE1 3.42Å; K163-E167 WeakPolarHBondContact O-CG 3.13Å; K163-E167 PolarHBondContact O-N 2.84Å; Q164-E167 PolarHBondContact O-N 2.95Å; Y165-E167 VanDerWaalsContact C-N 3.35Å; E167-Y170 PolarHBondContact O-N 3.06Å; E167-A171 WeakPolarHBondContact O-CB 3.25Å; E167-A171 PolarHBondContact O-N 3.29Å
168L86.6Confident84.2Confident2 Ų267.9 Ų67.91%0.0135%0.35CS..Hα-helixtrans-66.3-42.7178.417962.9000111.2F16 V153 L160 Q164 Y165 Y170 A171 R172F16-L168 HydrophobicContact CD1-CD1 4.28Å; F16-L168 VanDerWaalsContact CE1-CA 3.46Å; F16-L168 HydrophobicContact CE1-CB 3.85Å; F16-L168 HydrophobicContact CE1-CD1 4.15Å; F16-L168 HydrophobicContact CZ-CB 4.13Å; F16-L168 HydrophobicContact CZ-CD1 4.44Å; F16-L168 WeakPolarHBondContact O-CD1 3.45Å; V153-L168 HydrophobicContact CG1-CD2 4.36Å; L160-L168 HydrophobicContact CD1-CB 4.24Å; L160-L168 HydrophobicContact CD1-CD2 3.53Å; Q164-L168 WeakPolarHBondContact O-CB 3.37Å; Q164-L168 PolarHBondContact O-N 3.35Å; Y165-L168 PolarHBondContact O-N 3.41Å; L168-Y170 VanDerWaalsContact C-N 3.33Å; L168-Y170 PolarHBondContact O-N 3.27Å; L168-A171 PolarHBondContact O-N 2.82Å; L168-R172 HydrophobicContact CD1-CG 4.45Å; L168-R172 VanDerWaalsContact O-CG 3.3Å; L168-R172 WeakPolarHBondContact O-CG 3.37Å; L168-R172 PolarHBondContact O-N 3.26Å
169S86.3Confident83.5Confident58 Ų5870.8 Ų70.841%0.40635%0.354SS..Hα-helixtrans-59.1-45.4176-178.40000111Y165 K166 R172Y165-S169 VanDerWaalsContact O-CB 3.24Å; Y165-S169 WeakPolarHBondContact O-CB 3.15Å; Y165-S169 PolarHBondContact O-N 3.42Å; K166-S169 PolarHBondContact O-N 3.24Å; S169-R172 PolarHBondContact O-N 3.43Å
170Y87.7Confident82.4Confident123 Ų12371.3 Ų71.348%0.48235%0.352SS..Hα-helixtrans-61.5-49.5174.2179.4-99.7000111.5K166 E167 L168 R172 T173 V174 N180K166-Y170 WeakPolarHBondContact O-CB 3.38Å; K166-Y170 PolarHBondContact O-N 3.48Å; E167-Y170 PolarHBondContact O-N 3.06Å; L168-Y170 VanDerWaalsContact C-N 3.33Å; L168-Y170 PolarHBondContact O-N 3.27Å; Y170-R172 VanDerWaalsContact C-N 3.26Å; Y170-R172 PolarHBondContact O-N 3.21Å; Y170-T173 PolarHBondContact O-N 3.47Å; Y170-T173 PolarHBondContact O-OG1 3.02Å; Y170-V174 HydrophobicContact CD1-CG2 4.25Å; Y170-V174 HydrophobicContact CE1-CG2 3.93Å; Y170-V174 PolarHBondContact O-N 2.98Å; Y170-N180 PolarHBondContact OH-ND2 3.49Å
171A87.5Confident81.6Confident4 Ų470.3 Ų70.33%0.03335%0.349CS..Hα-helixtrans-57.3-37.8-179.400000112.8F16 A17 E167 L168 T173 V174F16-A171 HydrophobicContact CD1-CB 3.66Å; F16-A171 HydrophobicContact CE1-CB 4.44Å; A17-A171 HydrophobicContact CB-CB 4.21Å; E167-A171 WeakPolarHBondContact O-CB 3.25Å; E167-A171 PolarHBondContact O-N 3.29Å; L168-A171 PolarHBondContact O-N 2.82Å; A171-T173 PolarHBondContact O-N 2.85Å; A171-V174 WeakPolarHBondContact O-CB 3.44Å; A171-V174 PolarHBondContact O-N 3Å
172R84.6Confident81.2Confident95 Ų9568.8 Ų68.836%0.35835%0.345SS..Hα-helixtrans-64.7-20175.6-72.717667.1-170.90.4114.4A17 L168 S169 Y170A17-R172 HydrophobicContact CB-CG 4Å; L168-R172 HydrophobicContact CD1-CG 4.45Å; L168-R172 VanDerWaalsContact O-CG 3.3Å; L168-R172 WeakPolarHBondContact O-CG 3.37Å; L168-R172 PolarHBondContact O-N 3.26Å; S169-R172 PolarHBondContact O-N 3.43Å; Y170-R172 VanDerWaalsContact C-N 3.26Å; Y170-R172 PolarHBondContact O-N 3.21Å
173T82.7Confident81.2Confident88 Ų8863.7 Ų63.754%0.5432%0.323SS..Hα-helixtrans-89.3-10.7174.2710000112.8Y170 A171Y170-T173 PolarHBondContact O-N 3.47Å; Y170-T173 PolarHBondContact O-OG1 3.02Å; A171-T173 PolarHBondContact O-N 2.85Å
174V85.3Confident81.1Confident21 Ų2163.8 Ų63.813%0.12732%0.323CS..  trans-74.1131.2-179.2178.30000109.7T10 Y170 A171T10-V174 HydrophobicContact CG2-CG1 4.02Å; Y170-V174 HydrophobicContact CD1-CG2 4.25Å; Y170-V174 HydrophobicContact CE1-CG2 3.93Å; Y170-V174 PolarHBondContact O-N 2.98Å; A171-V174 WeakPolarHBondContact O-CB 3.44Å; A171-V174 PolarHBondContact O-N 3Å
175S86.6Confident81.3Confident32 Ų3262.1 Ų62.122%0.22432%0.317CS..  trans-139.1173.4165.365.50000107.8L177 G178S175-L177 PolarHBondContact O-N 3.36Å; S175-L177 PolarHBondContact OG-N 2.85Å; S175-G178 PolarHBondContact O-N 3.09Å; S175-G178 PolarHBondContact OG-N 2.63Å; S175-G178 VanDerWaalsContact OG-N 3.17Å
176F89.3Confident81.7Confident0 Ų056.7 Ų56.70%030%0.295CS..THydrogen-bonded Turntrans-58.1-7.9169.9-68.9-72.6000113.6Y6 T10 L11 I14 L36 A181 F186 A211 A214Y6-F176 HydrophobicContact CE1-CD1 4.45Å; Y6-F176 WeakPolarHBondContact OH-CA 3.1Å; Y6-F176 PolarHBondContact OH-O 2.59Å; T10-F176 HydrophobicContact CG2-CD1 3.66Å; T10-F176 HydrophobicContact CG2-CE1 3.75Å; T10-F176 HydrophobicContact CG2-CG 4.09Å; T10-F176 HydrophobicContact CG2-CZ 4.26Å; L11-F176 HydrophobicContact CD2-CZ 3.87Å; L11-F176 HydrophobicContact CG-CZ 4.36Å; I14-F176 HydrophobicContact CD1-CD2 4.41Å; I14-F176 HydrophobicContact CD1-CE2 3.83Å; I14-F176 HydrophobicContact CD1-CZ 4.11Å; L36-F176 HydrophobicContact CD2-CE1 4.42Å; L36-F176 HydrophobicContact CD2-CE2 4.09Å; L36-F176 HydrophobicContact CD2-CZ 3.55Å; F176-A181 WeakPolarHBondContact O-CB 3.47Å; F176-F186 HydrophobicContact CB-CD2 3.69Å; F176-F186 HydrophobicContact CB-CE2 3.93Å; F176-F186 HydrophobicContact CB-CG 4.34Å; F176-F186 AromaticContact CD1-CD2 3.8Å; F176-F186 HydrophobicContact CD1-CD2 3.8Å; F176-F186 AromaticContact CD1-CE2 3.82Å; F176-F186 HydrophobicContact CD1-CE2 3.82Å; F176-F186 HydrophobicContact CD2-CE2 4.39Å; F176-F186 HydrophobicContact CE1-CE2 4.47Å; F176-F186 AromaticContact CG-CD2 3.9Å; F176-F186 HydrophobicContact CG-CD2 3.9Å; F176-F186 AromaticContact CG-CE2 3.78Å; F176-F186 HydrophobicContact CG-CE2 3.78Å; F176-A211 HydrophobicContact CB-CB 3.94Å; F176-A214 HydrophobicContact CD2-CB 3.78Å; F176-A214 HydrophobicContact CE2-CB 3.78Å
177L84.4Confident81.8Confident7 Ų754.7 Ų54.74%0.03729%0.285CS..THydrogen-bonded Turntrans-136.126.5-178.7-64.9176.7000112.7R88 S175 A181 V183 F186 E208 A211R88-L177 PolarHBondContact NH2-O 2.59Å; S175-L177 PolarHBondContact O-N 3.36Å; S175-L177 PolarHBondContact OG-N 2.85Å; L177-A181 CarbonylContact C-O 3.56Å; L177-A181 WeakPolarHBondContact CA-O 3.44Å; L177-V183 HydrophobicContact CD2-CB 4.24Å; L177-V183 HydrophobicContact CD2-CG2 3.78Å; L177-F186 HydrophobicContact CD2-CB 4.37Å; L177-E208 HydrophobicContact CD1-CB 3.98Å; L177-E208 HydrophobicContact CD1-CG 3.97Å; L177-E208 WeakPolarHBondContact CD1-O 3.4Å; L177-A211 HydrophobicContact CD1-CB 3.47Å; L177-A211 VanDerWaalsContact CD1-CB 3.47Å; L177-A211 HydrophobicContact CD2-CB 4.07Å; L177-A211 HydrophobicContact CG-CB 3.48Å; L177-A211 VanDerWaalsContact CG-CB 3.48Å
178G69.4Low82Confident17 Ų1755.5 Ų55.518%0.17529%0.291CS..SBendtrans-70.3-173.117900000113.9S175 N180 A181S175-G178 PolarHBondContact O-N 3.09Å; S175-G178 PolarHBondContact OG-N 2.63Å; S175-G178 VanDerWaalsContact OG-N 3.17Å; G178-N180 PolarHBondContact O-N 3.43Å; G178-A181 PolarHBondContact O-N 3.01Å
179N58.3Low82.4Confident150 Ų15055.4 Ų55.480%0.80229%0.29SS*.THydrogen-bonded Turntrans-55.6-25.3-173.9-69.8-19.9000114.7
180N51.2Low82.7Confident125 Ų12552.6 Ų52.667%0.66827%0.271SS*.THydrogen-bonded Turntrans-106.51.4179.3-65.4-12.1000113.3Y170 G178Y170-N180 PolarHBondContact OH-ND2 3.49Å; G178-N180 PolarHBondContact O-N 3.43Å
181A65Low82.9Confident16 Ų1648.9 Ų48.913%0.13226%0.261CS..  trans-122.5114.9-174.200000110.6Y6 F176 L177 G178Y6-A181 HydrophobicContact CE2-CB 3.68Å; F176-A181 WeakPolarHBondContact O-CB 3.47Å; L177-A181 CarbonylContact C-O 3.56Å; L177-A181 WeakPolarHBondContact CA-O 3.44Å; G178-A181 PolarHBondContact O-N 3.01Å
182S77.9Confident83.1Confident52 Ų5254 Ų5436%0.36428%0.284SS..  trans-88.5155175.265.70000110.9K184 N185 F186S182-K184 PolarHBondContact O-N 3.13Å; S182-K184 VanDerWaalsContact O-N 3.07Å; S182-K184 WeakPolarHBondContact OG-CB 3.48Å; S182-N185 PolarHBondContact O-N 3.05Å; S182-N185 PolarHBondContact OG-N 2.85Å; S182-F186 PolarHBondContact O-N 3.14Å
183V85.9Confident83.3Confident27 Ų2751.4 Ų51.416%0.16428%0.279CS..Hα-helixtrans-50.3-33.8168.5-176.60000111L177 F186 Y187 Q204 I207 E208L177-V183 HydrophobicContact CD2-CB 4.24Å; L177-V183 HydrophobicContact CD2-CG2 3.78Å; V183-F186 PolarHBondContact O-N 3.42Å; V183-Y187 VanDerWaalsContact O-CB 3.3Å; V183-Y187 WeakPolarHBondContact O-CB 3.38Å; V183-Y187 PolarHBondContact O-N 3.28Å; V183-Q204 HydrophobicContact CB-CG 4.33Å; V183-Q204 HydrophobicContact CG1-CG 3.9Å; V183-Q204 HydrophobicContact CG2-CG 4.18Å; V183-I207 HydrophobicContact CG1-CB 3.89Å; V183-I207 HydrophobicContact CG1-CG2 3.57Å; V183-E208 HydrophobicContact CG1-CG 4.38Å; V183-E208 HydrophobicContact CG2-CG 3.48Å; V183-E208 VanDerWaalsContact CG2-CG 3.48Å
184K87Confident83.6Confident147 Ų14749.2 Ų49.264%0.63927%0.274SS*.Hα-helixtrans-63.2-43.1175.7-175.1-177.1179.5-179.20112.9S182 Y187 L188S182-K184 PolarHBondContact O-N 3.13Å; S182-K184 VanDerWaalsContact O-N 3.07Å; S182-K184 WeakPolarHBondContact OG-CB 3.48Å; K184-Y187 PolarHBondContact O-N 2.99Å; K184-L188 HydrophobicContact CG-CD1 4.14Å; K184-L188 HydrophobicContact CG-CG 4.5Å; K184-L188 WeakPolarHBondContact O-CB 3.34Å; K184-L188 VanDerWaalsContact O-CG 3.24Å; K184-L188 WeakPolarHBondContact O-CG 3.35Å; K184-L188 PolarHBondContact O-N 3.41Å
185N89.6Confident83.9Confident39 Ų3948.4 Ų48.421%0.20927%0.269CS..Hα-helixtrans-66.5-42.5178.8-69-11.3000111.1Y6 S182 L188 W189Y6-N185 HydrophobicContact CD2-CB 3.98Å; Y6-N185 HydrophobicContact CE1-CB 4.43Å; Y6-N185 HydrophobicContact CE2-CB 3.86Å; Y6-N185 HydrophobicContact CG-CB 4.31Å; S182-N185 PolarHBondContact O-N 3.05Å; S182-N185 PolarHBondContact OG-N 2.85Å; N185-L188 PolarHBondContact O-N 3.23Å; N185-W189 PolarHBondContact O-N 2.94Å
186F93Very high84Confident0 Ų050.7 Ų50.70%028%0.278CS..Hα-helixtrans-62.6-46.1175.5-173-114.3000111.3Y6 F176 L177 S182 V183 L188 W189 L190 I207 L210 A211 A214Y6-F186 HydrophobicContact CE1-CB 4.49Å; Y6-F186 HydrophobicContact CE1-CD2 4.38Å; F176-F186 HydrophobicContact CB-CD2 3.69Å; F176-F186 HydrophobicContact CB-CE2 3.93Å; F176-F186 HydrophobicContact CB-CG 4.34Å; F176-F186 AromaticContact CD1-CD2 3.8Å; F176-F186 HydrophobicContact CD1-CD2 3.8Å; F176-F186 AromaticContact CD1-CE2 3.82Å; F176-F186 HydrophobicContact CD1-CE2 3.82Å; F176-F186 HydrophobicContact CD2-CE2 4.39Å; F176-F186 HydrophobicContact CE1-CE2 4.47Å; F176-F186 AromaticContact CG-CD2 3.9Å; F176-F186 HydrophobicContact CG-CD2 3.9Å; F176-F186 AromaticContact CG-CE2 3.78Å; F176-F186 HydrophobicContact CG-CE2 3.78Å; L177-F186 HydrophobicContact CD2-CB 4.37Å; S182-F186 PolarHBondContact O-N 3.14Å; V183-F186 PolarHBondContact O-N 3.42Å; F186-L188 PolarHBondContact O-N 3.18Å; F186-W189 AromaticContact CD2-CE3 3.93Å; F186-W189 HydrophobicContact CD2-CE3 3.93Å; F186-W189 HydrophobicContact CD2-CZ3 4.3Å; F186-W189 AromaticContact CE2-CE3 3.65Å; F186-W189 HydrophobicContact CE2-CE3 3.65Å; F186-W189 AromaticContact CE2-CZ3 3.55Å; F186-W189 HydrophobicContact CE2-CZ3 3.55Å; F186-W189 HydrophobicContact CZ-CE3 4.42Å; F186-W189 HydrophobicContact CZ-CZ3 4.14Å; F186-W189 PolarHBondContact O-N 3.32Å; F186-L190 HydrophobicContact CD1-CD1 3.75Å; F186-L190 HydrophobicContact CD1-CG 4.28Å; F186-L190 HydrophobicContact CE1-CD1 3.49Å; F186-L190 VanDerWaalsContact CE1-CD1 3.49Å; F186-L190 HydrophobicContact CE1-CD2 4.2Å; F186-L190 HydrophobicContact CE1-CG 4.02Å; F186-L190 HydrophobicContact CE2-CD2 4.48Å; F186-L190 HydrophobicContact CZ-CD1 4.1Å; F186-L190 HydrophobicContact CZ-CD2 3.95Å; F186-L190 HydrophobicContact CZ-CG 4.17Å; F186-L190 WeakPolarHBondContact O-CG 3.28Å; F186-L190 PolarHBondContact O-N 3.19Å; F186-I207 HydrophobicContact CD1-CG2 3.88Å; F186-L210 HydrophobicContact CE1-CB 4.33Å; F186-L210 HydrophobicContact CE1-CG 4.29Å; F186-A211 HydrophobicContact CD1-CB 3.51Å; F186-A211 HydrophobicContact CD2-CB 4.33Å; F186-A211 HydrophobicContact CE1-CB 3.42Å; F186-A211 VanDerWaalsContact CE1-CB 3.42Å; F186-A211 HydrophobicContact CE2-CB 4.26Å; F186-A211 HydrophobicContact CG-CB 3.98Å; F186-A211 VanDerWaalsContact CZ-CA 3.49Å; F186-A211 HydrophobicContact CZ-CB 3.84Å; F186-A214 HydrophobicContact CE2-CB 4.09Å; F186-A214 HydrophobicContact CZ-CB 3.82Å
187Y92.3Very high83.8Confident85 Ų8558.1 Ų58.133%0.33331%0.313SS..Hα-helixtrans-59.3-45.2175.3-176.1-104000112.5V183 K184 W189 L190 T191 L199 I207V183-Y187 VanDerWaalsContact O-CB 3.3Å; V183-Y187 WeakPolarHBondContact O-CB 3.38Å; V183-Y187 PolarHBondContact O-N 3.28Å; K184-Y187 PolarHBondContact O-N 2.99Å; Y187-W189 VanDerWaalsContact C-N 3.3Å; Y187-W189 PolarHBondContact O-N 2.99Å; Y187-L190 WeakPolarHBondContact O-CB 3.34Å; Y187-L190 PolarHBondContact O-N 3.42Å; Y187-L190 VanDerWaalsContact O-N 3.14Å; Y187-T191 HydrophobicContact CD1-CG2 4.23Å; Y187-T191 HydrophobicContact CE1-CG2 3.81Å; Y187-T191 HydrophobicContact CE2-CG2 4.33Å; Y187-T191 WeakPolarHBondContact O-CG2 3.37Å; Y187-T191 PolarHBondContact O-N 3.45Å; Y187-T191 PolarHBondContact O-OG1 3.47Å; Y187-L199 HydrophobicContact CE2-CB 4.3Å; Y187-I207 HydrophobicContact CD2-CD1 3.82Å; Y187-I207 HydrophobicContact CD2-CG1 4.05Å; Y187-I207 HydrophobicContact CE2-CD1 4.21Å
188L91.9Very high84Confident77 Ų7760.2 Ų60.240%0.40332%0.321SS..Hα-helixtrans-58.8-42.2175.9-76.4169.6000111.7K184 N185 F186 T191 H192K184-L188 HydrophobicContact CG-CD1 4.14Å; K184-L188 HydrophobicContact CG-CG 4.5Å; K184-L188 WeakPolarHBondContact O-CB 3.34Å; K184-L188 VanDerWaalsContact O-CG 3.24Å; K184-L188 WeakPolarHBondContact O-CG 3.35Å; K184-L188 PolarHBondContact O-N 3.41Å; N185-L188 PolarHBondContact O-N 3.23Å; F186-L188 PolarHBondContact O-N 3.18Å; L188-T191 WeakPolarHBondContact CA-OG1 3.35Å; L188-T191 PolarHBondContact O-N 3.06Å; L188-T191 PolarHBondContact O-OG1 2.95Å; L188-H192 WeakPolarHBondContact O-CB 3.46Å; L188-H192 PolarHBondContact O-N 3.26Å
189W93.8Very high84.9Confident0 Ų059.6 Ų59.60%031%0.314CS..Hα-helixtrans-63.2-44.6173.3174.272.6000112.5P3 Y6 C7 L36 Q37 L40 N185 F186 Y187 T191 H192 V193P3-W189 HydrophobicContact CB-CB 4.29Å; P3-W189 VanDerWaalsContact O-CD1 3.3Å; Y6-W189 HydrophobicContact CD1-CB 4.03Å; Y6-W189 HydrophobicContact CE1-CB 4.19Å; C7-W189 HydrophobicContact CB-CD2 4.2Å; C7-W189 HydrophobicContact CB-CG 4.09Å; C7-W189 HydrophobicContact CB-CZ2 4.36Å; C7-W189 VanDerWaalsContact CB-NE1 3.31Å; C7-W189 WeakPolarHBondContact SG-CZ2 3.32Å; C7-W189 PolarHBondContact SG-NE1 2.91Å; L36-W189 HydrophobicContact CD2-CH2 3.98Å; L36-W189 HydrophobicContact CG-CH2 4.26Å; Q37-W189 HydrophobicContact CG-CH2 4.44Å; Q37-W189 HydrophobicContact CG-CZ2 3.91Å; L40-W189 HydrophobicContact CD1-CH2 3.71Å; L40-W189 HydrophobicContact CD1-CZ3 3.65Å; N185-W189 PolarHBondContact O-N 2.94Å; F186-W189 AromaticContact CD2-CE3 3.93Å; F186-W189 HydrophobicContact CD2-CE3 3.93Å; F186-W189 HydrophobicContact CD2-CZ3 4.3Å; F186-W189 AromaticContact CE2-CE3 3.65Å; F186-W189 HydrophobicContact CE2-CE3 3.65Å; F186-W189 AromaticContact CE2-CZ3 3.55Å; F186-W189 HydrophobicContact CE2-CZ3 3.55Å; F186-W189 HydrophobicContact CZ-CE3 4.42Å; F186-W189 HydrophobicContact CZ-CZ3 4.14Å; F186-W189 PolarHBondContact O-N 3.32Å; Y187-W189 VanDerWaalsContact C-N 3.3Å; Y187-W189 PolarHBondContact O-N 2.99Å; W189-T191 VanDerWaalsContact C-N 3.29Å; W189-T191 PolarHBondContact O-N 3.4Å; W189-H192 WeakPolarHBondContact O-CB 3.31Å; W189-H192 PolarHBondContact O-N 2.72Å; W189-V193 HydrophobicContact CD2-CG1 4.4Å; W189-V193 HydrophobicContact CZ2-CG1 4.24Å; W189-V193 WeakPolarHBondContact O-CG1 3.39Å; W189-V193 PolarHBondContact O-N 3.28Å
190L93.7Very high86.1Confident0 Ų059.8 Ų59.80%031%0.309CS..Hα-helixtrans-57.2-42.8175.7-67.1172.1000112L40 F186 Y187 V193 G194 L195 L199 I207 L210L40-L190 HydrophobicContact CD1-CD2 4.16Å; F186-L190 HydrophobicContact CD1-CD1 3.75Å; F186-L190 HydrophobicContact CD1-CG 4.28Å; F186-L190 HydrophobicContact CE1-CD1 3.49Å; F186-L190 VanDerWaalsContact CE1-CD1 3.49Å; F186-L190 HydrophobicContact CE1-CD2 4.2Å; F186-L190 HydrophobicContact CE1-CG 4.02Å; F186-L190 HydrophobicContact CE2-CD2 4.48Å; F186-L190 HydrophobicContact CZ-CD1 4.1Å; F186-L190 HydrophobicContact CZ-CD2 3.95Å; F186-L190 HydrophobicContact CZ-CG 4.17Å; F186-L190 WeakPolarHBondContact O-CG 3.28Å; F186-L190 PolarHBondContact O-N 3.19Å; Y187-L190 WeakPolarHBondContact O-CB 3.34Å; Y187-L190 PolarHBondContact O-N 3.42Å; Y187-L190 VanDerWaalsContact O-N 3.14Å; L190-V193 WeakPolarHBondContact O-CG2 3.49Å; L190-V193 PolarHBondContact O-N 3.23Å; L190-G194 PolarHBondContact O-N 3.41Å; L190-L195 HydrophobicContact CB-CB 4.45Å; L190-L195 HydrophobicContact CD2-CD1 3.66Å; L190-L195 WeakPolarHBondContact O-CB 3.47Å; L190-L195 PolarHBondContact O-N 3.45Å; L190-L199 HydrophobicContact CB-CD1 3.86Å; L190-L199 HydrophobicContact CD1-CD1 3.66Å; L190-L199 HydrophobicContact CG-CD1 4.3Å; L190-I207 HydrophobicContact CD1-CD1 4.5Å; L190-I207 HydrophobicContact CD1-CG2 4.47Å; L190-L210 HydrophobicContact CD1-CD2 3.7Å; L190-L210 HydrophobicContact CD2-CD2 4.34Å
191T91.7Very high87.7Confident44 Ų4456.3 Ų56.327%0.2730%0.302SS..Hα-helixtrans-67.2-36.7175.459.70000112.4Y187 L188 W189 V193 G194 D196Y187-T191 HydrophobicContact CD1-CG2 4.23Å; Y187-T191 HydrophobicContact CE1-CG2 3.81Å; Y187-T191 HydrophobicContact CE2-CG2 4.33Å; Y187-T191 WeakPolarHBondContact O-CG2 3.37Å; Y187-T191 PolarHBondContact O-N 3.45Å; Y187-T191 PolarHBondContact O-OG1 3.47Å; L188-T191 WeakPolarHBondContact CA-OG1 3.35Å; L188-T191 PolarHBondContact O-N 3.06Å; L188-T191 PolarHBondContact O-OG1 2.95Å; W189-T191 VanDerWaalsContact C-N 3.29Å; W189-T191 PolarHBondContact O-N 3.4Å; T191-V193 VanDerWaalsContact C-N 3.26Å; T191-V193 PolarHBondContact O-N 3.48Å; T191-G194 PolarHBondContact O-N 2.88Å; T191-D196 HydrophobicContact CG2-CB 3.9Å
192H91Very high88.7Confident112 Ų11256.6 Ų56.652%0.51931%0.305SS..Hα-helixtrans-63.8-31.5176.8-17968.8000112.7P3 L188 W189 G194P3-H192 HydrophobicContact CB-CB 4.02Å; P3-H192 HydrophobicContact CG-CB 4.41Å; L188-H192 WeakPolarHBondContact O-CB 3.46Å; L188-H192 PolarHBondContact O-N 3.26Å; W189-H192 WeakPolarHBondContact O-CB 3.31Å; W189-H192 PolarHBondContact O-N 2.72Å; H192-G194 VanDerWaalsContact C-N 3.32Å
193V90.4Very high89.3Confident41 Ų4157.7 Ų57.725%0.24831%0.309CS..THydrogen-bonded Turntrans-89.15.3179-52.50000113.5Q37 W189 L190 T191 L195Q37-V193 HydrophobicContact CG-CB 4.4Å; Q37-V193 HydrophobicContact CG-CG1 4.19Å; W189-V193 HydrophobicContact CD2-CG1 4.4Å; W189-V193 HydrophobicContact CZ2-CG1 4.24Å; W189-V193 WeakPolarHBondContact O-CG1 3.39Å; W189-V193 PolarHBondContact O-N 3.28Å; L190-V193 WeakPolarHBondContact O-CG2 3.49Å; L190-V193 PolarHBondContact O-N 3.23Å; T191-V193 VanDerWaalsContact C-N 3.26Å; T191-V193 PolarHBondContact O-N 3.48Å; V193-L195 HydrophobicContact CG2-CD1 3.93Å; V193-L195 HydrophobicContact CG2-CG 4.04Å
194G88.8Confident89.5Confident42 Ų4262.5 Ų62.543%0.43333%0.33SS..THydrogen-bonded Turntrans84.128.3175.600000115.2L190 T191 H192L190-G194 PolarHBondContact O-N 3.41Å; T191-G194 PolarHBondContact O-N 2.88Å; H192-G194 VanDerWaalsContact C-N 3.32Å
195L90.2Very high89.7Confident4 Ų456.6 Ų56.62%0.02131%0.305CS..  trans-97.57.4174-64.7172.2000113.3L40 L41 L190 V193 E197 Y198 L199L40-L195 HydrophobicContact CB-CD1 4.3Å; L41-L195 HydrophobicContact CB-CD2 4.02Å; L41-L195 HydrophobicContact CD1-CD2 3.44Å; L41-L195 VanDerWaalsContact CD1-CD2 3.44Å; L41-L195 HydrophobicContact CG-CD2 4.34Å; L190-L195 HydrophobicContact CB-CB 4.45Å; L190-L195 HydrophobicContact CD2-CD1 3.66Å; L190-L195 WeakPolarHBondContact O-CB 3.47Å; L190-L195 PolarHBondContact O-N 3.45Å; V193-L195 HydrophobicContact CG2-CD1 3.93Å; V193-L195 HydrophobicContact CG2-CG 4.04Å; L195-E197 PolarHBondContact O-N 3.43Å; L195-Y198 HydrophobicContact CD2-CD2 4.19Å; L195-Y198 PolarHBondContact O-N 3.5Å; L195-L199 HydrophobicContact CB-CD1 4.02Å; L195-L199 VanDerWaalsContact O-CG 3.28Å; L195-L199 WeakPolarHBondContact O-CG 3.47Å; L195-L199 PolarHBondContact O-N 3.5Å
196D88.4Confident89.9Confident80 Ų8054.9 Ų54.943%0.42830%0.297SS..THydrogen-bonded Turntrans-62.8-39.8-176.560.7-52.9000112.9T191 Y198 L199 H200T191-D196 HydrophobicContact CG2-CB 3.9Å; D196-Y198 VanDerWaalsContact C-N 3.28Å; D196-Y198 PolarHBondContact O-N 2.99Å; D196-L199 PolarHBondContact O-N 3.5Å; D196-H200 PolarHBondContact O-N 3.38Å
197E86.9Confident89.9Confident156 Ų15655.1 Ų55.173%0.72930%0.298SS*.THydrogen-bonded Turntrans-58.2-39.9179.2-64.4-17216400112.3L195L195-E197 PolarHBondContact O-N 3.43Å
198Y88.2Confident90Very high50 Ų5051.5 Ų51.520%0.19628%0.284CS..THydrogen-bonded Turntrans-81.9-25.3-178.2-58.2-76.6000113.9L41 V44 Q45 E48 I62 L195 D196L41-Y198 HydrophobicContact CD1-CD2 4.34Å; L41-Y198 HydrophobicContact CD1-CE2 3.68Å; V44-Y198 HydrophobicContact CG1-CD1 4.43Å; V44-Y198 HydrophobicContact CG1-CD2 4.37Å; V44-Y198 HydrophobicContact CG1-CG 3.8Å; Q45-Y198 HydrophobicContact CG-CD1 4.47Å; Q45-Y198 HydrophobicContact CG-CE1 3.78Å; Q45-Y198 HydrophobicContact CG-CE2 4.4Å; Q45-Y198 PolarHBondContact NE2-OH 3.33Å; E48-Y198 VanDerWaalsContact OE2-CD1 3.26Å; E48-Y198 WeakPolarHBondContact OE2-CD1 3.32Å; E48-Y198 WeakPolarHBondContact OE2-CE1 3.46Å; I62-Y198 WeakPolarHBondContact CD1-O 3.37Å; L195-Y198 HydrophobicContact CD2-CD2 4.19Å; L195-Y198 PolarHBondContact O-N 3.5Å; D196-Y198 VanDerWaalsContact C-N 3.28Å; D196-Y198 PolarHBondContact O-N 2.99Å
199L88.2Confident90.1Very high5 Ų547.9 Ų47.93%0.02627%0.265CS..THydrogen-bonded Turntrans-96.911.2-173.7-63.1174.8000112.7V44 Y187 L190 L195 D196 G201 A202 I207 L210V44-L199 HydrophobicContact CG1-CD2 4.27Å; V44-L199 HydrophobicContact CG2-CD2 4.41Å; Y187-L199 HydrophobicContact CE2-CB 4.3Å; L190-L199 HydrophobicContact CB-CD1 3.86Å; L190-L199 HydrophobicContact CD1-CD1 3.66Å; L190-L199 HydrophobicContact CG-CD1 4.3Å; L195-L199 HydrophobicContact CB-CD1 4.02Å; L195-L199 VanDerWaalsContact O-CG 3.28Å; L195-L199 WeakPolarHBondContact O-CG 3.47Å; L195-L199 PolarHBondContact O-N 3.5Å; D196-L199 PolarHBondContact O-N 3.5Å; L199-G201 PolarHBondContact O-N 3.38Å; L199-A202 HydrophobicContact CB-CB 4.34Å; L199-A202 HydrophobicContact CD2-CB 4.36Å; L199-A202 VanDerWaalsContact O-CB 3.28Å; L199-A202 WeakPolarHBondContact O-CB 3.03Å; L199-A202 PolarHBondContact O-N 3.3Å; L199-A202 VanDerWaalsContact O-N 3.07Å; L199-I207 HydrophobicContact CD1-CD1 4.25Å; L199-I207 HydrophobicContact CD2-CD1 4.16Å; L199-L210 HydrophobicContact CD1-CD2 4.24Å; L199-L210 HydrophobicContact CD2-CD2 3.97Å
200H82.9Confident90.2Very high154 Ų15447.9 Ų47.971%0.71327%0.265SS*.THydrogen-bonded Turntrans-60.6120.9175.3-167.776.8000110.9D196 A202D196-H200 PolarHBondContact O-N 3.38Å; H200-A202 VanDerWaalsContact C-N 3.26Å; H200-A202 PolarHBondContact O-N 2.98Å
201G84.1Confident90.2Very high51 Ų5148 Ų4853%0.52627%0.266SS..THydrogen-bonded Turntrans75.66.5-177.600000115.3S61 L199 T203S61-G201 WeakPolarHBondContact CB-O 3.33Å; L199-G201 PolarHBondContact O-N 3.38Å; G201-T203 PolarHBondContact O-N 2.91Å
202A86.7Confident90.3Very high22 Ų2246.6 Ų46.618%0.18226%0.258CS..  trans-60.8133.5174.200000110.8L199 H200 I207L199-A202 HydrophobicContact CB-CB 4.34Å; L199-A202 HydrophobicContact CD2-CB 4.36Å; L199-A202 VanDerWaalsContact O-CB 3.28Å; L199-A202 WeakPolarHBondContact O-CB 3.03Å; L199-A202 PolarHBondContact O-N 3.3Å; L199-A202 VanDerWaalsContact O-N 3.07Å; H200-A202 VanDerWaalsContact C-N 3.26Å; H200-A202 PolarHBondContact O-N 2.98Å; A202-I207 HydrophobicContact CB-CD1 3.79Å; A202-I207 HydrophobicContact CB-CG1 4.31Å
203T91.1Very high90.5Very high75 Ų7541.3 Ų41.346%0.4623%0.233SC..  trans-71.8157.3179.672.10000111G201 L205 S206 I207G201-T203 PolarHBondContact O-N 2.91Å; T203-L205 PolarHBondContact O-N 2.83Å; T203-L205 PolarHBondContact OG1-N 3.09Å; T203-S206 WeakPolarHBondContact O-CB 3.43Å; T203-S206 PolarHBondContact O-N 3.27Å; T203-S206 PolarHBondContact OG1-N 3.4Å; T203-S206 VanDerWaalsContact OG1-N 3.1Å; T203-S206 PolarHBondContact OG1-OG 3.25Å; T203-I207 PolarHBondContact O-N 3.35Å
204Q90.2Very high90.7Very high128 Ų12839.3 Ų39.360%0.59822%0.221SC*.Hα-helixtrans-53.3-39.5172.8-171.7-174.6-38.700111.3V183 S206 I207 E208V183-Q204 HydrophobicContact CB-CG 4.33Å; V183-Q204 HydrophobicContact CG1-CG 3.9Å; V183-Q204 HydrophobicContact CG2-CG 4.18Å; Q204-S206 VanDerWaalsContact C-N 3.34Å; Q204-S206 PolarHBondContact O-N 3.48Å; Q204-I207 PolarHBondContact O-N 2.99Å; Q204-E208 PolarHBondContact NE2-OE1 2.96Å; Q204-E208 WeakPolarHBondContact O-CB 3.23Å; Q204-E208 VanDerWaalsContact O-CG 3.3Å; Q204-E208 WeakPolarHBondContact O-CG 3.3Å; Q204-E208 PolarHBondContact O-N 3.07Å
205L91.5Very high90.9Very high23 Ų2339.8 Ų39.812%0.1221%0.21CC..Hα-helixtrans-62.5-38.8177.4-166.270.1000112.5F85 E116 R117 V120 T203 E208 L209F85-L205 HydrophobicContact CE1-CD1 4.41Å; F85-L205 HydrophobicContact CZ-CD1 3.82Å; F85-L205 HydrophobicContact CZ-CG 4.16Å; E116-L205 HydrophobicContact CB-CD2 3.81Å; R117-L205 HydrophobicContact CB-CD1 4.47Å; R117-L205 HydrophobicContact CG-CD1 3.38Å; V120-L205 HydrophobicContact CG2-CD2 3.96Å; T203-L205 PolarHBondContact O-N 2.83Å; T203-L205 PolarHBondContact OG1-N 3.09Å; L205-E208 PolarHBondContact O-N 3.4Å; L205-L209 WeakPolarHBondContact O-CB 3.34Å; L205-L209 PolarHBondContact O-N 3.43Å
206S93.1Very high91Very high4 Ų439.7 Ų39.73%0.02821%0.21CC..Hα-helixtrans-67.9-43.2176.8-550000111.7I62 L67 T203 Q204 E208 L209 L210I62-S206 PolarHBondContact O-OG 2.85Å; L67-S206 WeakPolarHBondContact CD1-O 3.4Å; T203-S206 WeakPolarHBondContact O-CB 3.43Å; T203-S206 PolarHBondContact O-N 3.27Å; T203-S206 PolarHBondContact OG1-N 3.4Å; T203-S206 VanDerWaalsContact OG1-N 3.1Å; T203-S206 PolarHBondContact OG1-OG 3.25Å; Q204-S206 VanDerWaalsContact C-N 3.34Å; Q204-S206 PolarHBondContact O-N 3.48Å; S206-E208 VanDerWaalsContact C-N 3.28Å; S206-E208 PolarHBondContact O-N 3.24Å; S206-L209 PolarHBondContact O-N 3.4Å; S206-L210 WeakPolarHBondContact O-CB 3.18Å; S206-L210 PolarHBondContact O-N 2.96Å
207I93.8Very high91.2Very high5 Ų536.7 Ų36.73%0.02619%0.194CC..Hα-helixtrans-64.6-37.6174.2-58.4-54.8000110.5V183 F186 Y187 L190 L199 A202 T203 Q204 L210 A211V183-I207 HydrophobicContact CG1-CB 3.89Å; V183-I207 HydrophobicContact CG1-CG2 3.57Å; F186-I207 HydrophobicContact CD1-CG2 3.88Å; Y187-I207 HydrophobicContact CD2-CD1 3.82Å; Y187-I207 HydrophobicContact CD2-CG1 4.05Å; Y187-I207 HydrophobicContact CE2-CD1 4.21Å; L190-I207 HydrophobicContact CD1-CD1 4.5Å; L190-I207 HydrophobicContact CD1-CG2 4.47Å; L199-I207 HydrophobicContact CD1-CD1 4.25Å; L199-I207 HydrophobicContact CD2-CD1 4.16Å; A202-I207 HydrophobicContact CB-CD1 3.79Å; A202-I207 HydrophobicContact CB-CG1 4.31Å; T203-I207 PolarHBondContact O-N 3.35Å; Q204-I207 PolarHBondContact O-N 2.99Å; I207-L210 PolarHBondContact O-N 2.94Å; I207-A211 PolarHBondContact O-N 2.94Å
208E92.9Very high91.5Very high8 Ų829.2 Ų29.24%0.03716%0.159CC..Hα-helixtrans-63.4-45.9176.4-78.2178.9-161.700112.5F85 R117 L177 V183 Q204 L205 S206 L210 A211 T212F85-E208 HydrophobicContact CE2-CB 4.17Å; R117-E208 IonicContact CZ-OE2 4Å; R117-E208 IonicContact NE-OE2 3.09Å; R117-E208 PolarHBondContact NE-OE2 2.69Å; R117-E208 VanDerWaalsContact NH2-CD 3.29Å; R117-E208 IonicContact NH2-OE1 2.87Å; R117-E208 PolarHBondContact NH2-OE1 3.47Å; R117-E208 IonicContact NH2-OE2 3.8Å; R117-E208 PolarHBondContact NH2-OE2 3Å; L177-E208 HydrophobicContact CD1-CB 3.98Å; L177-E208 HydrophobicContact CD1-CG 3.97Å; L177-E208 WeakPolarHBondContact CD1-O 3.4Å; V183-E208 HydrophobicContact CG1-CG 4.38Å; V183-E208 HydrophobicContact CG2-CG 3.48Å; V183-E208 VanDerWaalsContact CG2-CG 3.48Å; Q204-E208 PolarHBondContact NE2-OE1 2.96Å; Q204-E208 WeakPolarHBondContact O-CB 3.23Å; Q204-E208 VanDerWaalsContact O-CG 3.3Å; Q204-E208 WeakPolarHBondContact O-CG 3.3Å; Q204-E208 PolarHBondContact O-N 3.07Å; L205-E208 PolarHBondContact O-N 3.4Å; S206-E208 VanDerWaalsContact C-N 3.28Å; S206-E208 PolarHBondContact O-N 3.24Å; E208-L210 VanDerWaalsContact C-N 3.33Å; E208-A211 WeakPolarHBondContact O-CB 3.19Å; E208-A211 PolarHBondContact O-N 3.35Å; E208-T212 PolarHBondContact O-N 2.88Å; E208-T212 VanDerWaalsContact O-N 3.09Å; E208-T212 PolarHBondContact O-OG1 2.97Å
209L94.7Very high91.5Very high1 Ų126.9 Ų26.91%0.00515%0.15CC..Hα-helixtrans-61.7-43175.3179.165.7000111.2C64 L67 L68 T81 F85 L205 S206 A211 T212 I213C64-L209 HydrophobicContact CB-CD2 3.7Å; C64-L209 WeakPolarHBondContact O-CD2 3.48Å; L67-L209 HydrophobicContact CB-CD2 4.01Å; L67-L209 HydrophobicContact CD1-CD2 4.19Å; L68-L209 HydrophobicContact CD1-CD2 4.43Å; L68-L209 HydrophobicContact CD2-CD1 4.15Å; L68-L209 HydrophobicContact CD2-CD2 4.19Å; L68-L209 HydrophobicContact CG-CD2 3.94Å; T81-L209 HydrophobicContact CG2-CD1 3.67Å; F85-L209 HydrophobicContact CB-CD1 4.32Å; F85-L209 HydrophobicContact CD1-CD1 4.08Å; F85-L209 HydrophobicContact CD2-CB 4.42Å; F85-L209 HydrophobicContact CD2-CD1 3.94Å; F85-L209 HydrophobicContact CE1-CD1 4.32Å; F85-L209 HydrophobicContact CE2-CB 3.89Å; F85-L209 HydrophobicContact CE2-CD1 4.2Å; F85-L209 HydrophobicContact CG-CD1 3.87Å; F85-L209 HydrophobicContact CZ-CB 3.97Å; F85-L209 HydrophobicContact CZ-CD1 4.37Å; L205-L209 WeakPolarHBondContact O-CB 3.34Å; L205-L209 PolarHBondContact O-N 3.43Å; S206-L209 PolarHBondContact O-N 3.4Å; L209-A211 PolarHBondContact O-N 3.09Å; L209-T212 CarbonylContact O-C 3.13Å; L209-T212 WeakPolarHBondContact O-CA 3.34Å; L209-T212 WeakPolarHBondContact O-CB 3.18Å; L209-T212 PolarHBondContact O-N 3.26Å; L209-I213 HydrophobicContact CG-CD1 4.17Å; L209-I213 WeakPolarHBondContact O-CG1 3.47Å; L209-I213 PolarHBondContact O-N 3.42Å
210L95Very high91.4Very high0 Ų028.1 Ų28.10%016%0.161CC..Hα-helixtrans-60.4-34.3177.3-172.560.6000111.9L40 V44 L67 F186 L190 L199 S206 I207 E208 I213 A214L40-L210 HydrophobicContact CD2-CD1 3.79Å; L40-L210 HydrophobicContact CD2-CG 4.32Å; V44-L210 HydrophobicContact CG2-CD1 3.96Å; V44-L210 HydrophobicContact CG2-CD2 3.97Å; L67-L210 HydrophobicContact CD1-CB 4.31Å; L67-L210 HydrophobicContact CD2-CD1 4.09Å; F186-L210 HydrophobicContact CE1-CB 4.33Å; F186-L210 HydrophobicContact CE1-CG 4.29Å; L190-L210 HydrophobicContact CD1-CD2 3.7Å; L190-L210 HydrophobicContact CD2-CD2 4.34Å; L199-L210 HydrophobicContact CD1-CD2 4.24Å; L199-L210 HydrophobicContact CD2-CD2 3.97Å; S206-L210 WeakPolarHBondContact O-CB 3.18Å; S206-L210 PolarHBondContact O-N 2.96Å; I207-L210 PolarHBondContact O-N 2.94Å; E208-L210 VanDerWaalsContact C-N 3.33Å; L210-I213 PolarHBondContact O-N 3.17Å; L210-A214 WeakPolarHBondContact O-CB 3.48Å; L210-A214 PolarHBondContact O-N 3.48Å
211A94.3Very high91.7Very high3 Ų323.3 Ų23.33%0.02514%0.14CC..Hα-helixtrans-70.8-34.9174.200000112.6F176 L177 F186 I207 E208 L209 A214 Y215F176-A211 HydrophobicContact CB-CB 3.94Å; L177-A211 HydrophobicContact CD1-CB 3.47Å; L177-A211 VanDerWaalsContact CD1-CB 3.47Å; L177-A211 HydrophobicContact CD2-CB 4.07Å; L177-A211 HydrophobicContact CG-CB 3.48Å; L177-A211 VanDerWaalsContact CG-CB 3.48Å; F186-A211 HydrophobicContact CD1-CB 3.51Å; F186-A211 HydrophobicContact CD2-CB 4.33Å; F186-A211 HydrophobicContact CE1-CB 3.42Å; F186-A211 VanDerWaalsContact CE1-CB 3.42Å; F186-A211 HydrophobicContact CE2-CB 4.26Å; F186-A211 HydrophobicContact CG-CB 3.98Å; F186-A211 VanDerWaalsContact CZ-CA 3.49Å; F186-A211 HydrophobicContact CZ-CB 3.84Å; I207-A211 PolarHBondContact O-N 2.94Å; E208-A211 WeakPolarHBondContact O-CB 3.19Å; E208-A211 PolarHBondContact O-N 3.35Å; L209-A211 PolarHBondContact O-N 3.09Å; A211-A214 PolarHBondContact O-N 2.92Å; A211-Y215 PolarHBondContact O-N 2.99Å
212T93.4Very high91.8Very high15 Ų1521.3 Ų21.39%0.09212%0.117CC..Hα-helixtrans-64.2-42.4171-61.50000110.9T81 F85 E208 L209 Y215 G216T81-T212 HydrophobicContact CG2-CG2 4.14Å; F85-T212 HydrophobicContact CB-CG2 4.4Å; E208-T212 PolarHBondContact O-N 2.88Å; E208-T212 VanDerWaalsContact O-N 3.09Å; E208-T212 PolarHBondContact O-OG1 2.97Å; L209-T212 CarbonylContact O-C 3.13Å; L209-T212 WeakPolarHBondContact O-CA 3.34Å; L209-T212 WeakPolarHBondContact O-CB 3.18Å; L209-T212 PolarHBondContact O-N 3.26Å; T212-Y215 PolarHBondContact O-N 3.38Å; T212-G216 PolarHBondContact O-N 3.25Å
213I95.6Very high91.4Very high0 Ų021.7 Ų21.70%012%0.116CC..Hα-helixtrans-61.3-45.7173.3-66.5170.2000110.2L67 I71 T81 L209 L210 Y215 G216 I217L67-I213 HydrophobicContact CB-CD1 4.1Å; I71-I213 HydrophobicContact CD1-CD1 4.21Å; I71-I213 HydrophobicContact CD1-CG1 4.14Å; I71-I213 HydrophobicContact CG2-CG2 4.27Å; T81-I213 HydrophobicContact CG2-CD1 4.46Å; T81-I213 HydrophobicContact CG2-CG1 3.61Å; L209-I213 HydrophobicContact CG-CD1 4.17Å; L209-I213 WeakPolarHBondContact O-CG1 3.47Å; L209-I213 PolarHBondContact O-N 3.42Å; L210-I213 PolarHBondContact O-N 3.17Å; I213-Y215 VanDerWaalsContact C-N 3.33Å; I213-Y215 PolarHBondContact O-N 2.87Å; I213-G216 WeakPolarHBondContact O-CA 3.27Å; I213-G216 PolarHBondContact O-N 2.89Å; I213-I217 HydrophobicContact CG2-CD1 3.66Å; I213-I217 HydrophobicContact CG2-CG1 4.25Å; I213-I217 WeakPolarHBondContact O-CG1 3.34Å; I213-I217 PolarHBondContact O-N 3.45Å
214A95.3Very high90.9Very high0 Ų023.2 Ų23.20%012%0.12CC..Hα-helixtrans-58-44178.200000112.3L36 L40 F176 F186 L210 A211 A218L36-A214 HydrophobicContact CD1-CB 4.11Å; L36-A214 WeakPolarHBondContact CD1-O 3.22Å; L40-A214 HydrophobicContact CD1-CB 4Å; L40-A214 HydrophobicContact CD2-CB 3.96Å; L40-A214 HydrophobicContact CG-CB 4.44Å; F176-A214 HydrophobicContact CD2-CB 3.78Å; F176-A214 HydrophobicContact CE2-CB 3.78Å; F186-A214 HydrophobicContact CE2-CB 4.09Å; F186-A214 HydrophobicContact CZ-CB 3.82Å; L210-A214 WeakPolarHBondContact O-CB 3.48Å; L210-A214 PolarHBondContact O-N 3.48Å; A211-A214 PolarHBondContact O-N 2.92Å; A214-A218 WeakPolarHBondContact O-CB 3.33Å; A214-A218 PolarHBondContact O-N 3.06Å
215Y92.8Very high90.4Very high52 Ų5219.7 Ų19.720%0.20411%0.113CC..Hα-helixtrans-62.3-44.7173.4177.3-91.8000111.5I14 A211 T212 I213 I217 A218 A219I14-Y215 HydrophobicContact CD1-CD2 3.76Å; I14-Y215 HydrophobicContact CD1-CE2 4.26Å; I14-Y215 HydrophobicContact CG1-CD2 4Å; I14-Y215 HydrophobicContact CG1-CE2 3.96Å; I14-Y215 HydrophobicContact CG2-CE2 4.47Å; A211-Y215 PolarHBondContact O-N 2.99Å; T212-Y215 PolarHBondContact O-N 3.38Å; I213-Y215 VanDerWaalsContact C-N 3.33Å; I213-Y215 PolarHBondContact O-N 2.87Å; Y215-I217 PolarHBondContact O-N 3.4Å; Y215-A218 PolarHBondContact O-N 3.05Å; Y215-A219 VanDerWaalsContact O-CB 3.3Å; Y215-A219 WeakPolarHBondContact O-CB 3.48Å; Y215-A219 PolarHBondContact O-N 3.45Å
216G91.3Very high89.5Confident2 Ų221.9 Ų21.92%0.02112%0.124CC..Hα-helixtrans-58.4-45.7177.200000112.8T212 I213 A220T212-G216 PolarHBondContact O-N 3.25Å; I213-G216 WeakPolarHBondContact O-CA 3.27Å; I213-G216 PolarHBondContact O-N 2.89Å; G216-A220 VanDerWaalsContact O-CB 3.3Å; G216-A220 WeakPolarHBondContact O-CB 3.49Å; G216-A220 PolarHBondContact O-N 3.02Å
217I93.2Very high88.2Confident16 Ų1625 Ų258%0.08215%0.146CC..Hα-helixtrans-62.8-51176.3-68165.1000110.7L36 Q39 L40 L77 I213 Y215 A219 A220 I221L36-I217 HydrophobicContact CD1-CB 3.97Å; L36-I217 HydrophobicContact CD1-CG2 3.81Å; Q39-I217 HydrophobicContact CB-CD1 4.05Å; Q39-I217 HydrophobicContact CB-CG2 3.84Å; Q39-I217 HydrophobicContact CG-CG2 4.1Å; L40-I217 HydrophobicContact CD2-CD1 4.17Å; L77-I217 HydrophobicContact CD1-CG1 4.31Å; L77-I217 HydrophobicContact CD2-CG1 3.91Å; I213-I217 HydrophobicContact CG2-CD1 3.66Å; I213-I217 HydrophobicContact CG2-CG1 4.25Å; I213-I217 WeakPolarHBondContact O-CG1 3.34Å; I213-I217 PolarHBondContact O-N 3.45Å; Y215-I217 PolarHBondContact O-N 3.4Å; I217-A219 VanDerWaalsContact C-N 3.3Å; I217-A219 PolarHBondContact O-N 2.85Å; I217-A220 PolarHBondContact O-N 3.24Å; I217-I221 HydrophobicContact CG2-CD1 3.86Å; I217-I221 VanDerWaalsContact O-CG1 3.32Å; I217-I221 WeakPolarHBondContact O-CG1 3.36Å; I217-I221 PolarHBondContact O-N 3.42Å
218A92.5Very high86.7Confident0 Ų029.7 Ų29.70%017%0.171CC..Hα-helixtrans-59.7-43.6-179.100000111.2L11 I14 A214 Y215 I221 M222L11-A218 HydrophobicContact CD2-CB 4.1Å; I14-A218 HydrophobicContact CG2-CB 4.33Å; A214-A218 WeakPolarHBondContact O-CB 3.33Å; A214-A218 PolarHBondContact O-N 3.06Å; Y215-A218 PolarHBondContact O-N 3.05Å; A218-I221 PolarHBondContact O-N 2.96Å; A218-M222 WeakPolarHBondContact O-CG 3.41Å; A218-M222 PolarHBondContact O-N 3.28Å
219A88.2Confident84.5Confident0 Ų034.2 Ų34.20%020%0.2CC..Hα-helixtrans-68.1-40.4177.500000112.4Y215 I217 I221 M222 D223Y215-A219 VanDerWaalsContact O-CB 3.3Å; Y215-A219 WeakPolarHBondContact O-CB 3.48Å; Y215-A219 PolarHBondContact O-N 3.45Å; I217-A219 VanDerWaalsContact C-N 3.3Å; I217-A219 PolarHBondContact O-N 2.85Å; A219-I221 VanDerWaalsContact C-N 3.33Å; A219-I221 PolarHBondContact O-N 3.12Å; A219-M222 CarbonylContact O-C 3.59Å; A219-M222 WeakPolarHBondContact O-CB 3.46Å; A219-M222 PolarHBondContact O-N 3.17Å; A219-M222 VanDerWaalsContact O-N 3.1Å; A219-D223 WeakPolarHBondContact O-CB 3.3Å; A219-D223 PolarHBondContact O-N 2.91Å; A219-D223 VanDerWaalsContact O-OD2 3.07Å
220A87.2Confident82.1Confident32 Ų3239 Ų3926%0.26423%0.234SC..Hα-helixtrans-61.3-40.9175.400000112G216 I217 M222 D223 I224G216-A220 VanDerWaalsContact O-CB 3.3Å; G216-A220 WeakPolarHBondContact O-CB 3.49Å; G216-A220 PolarHBondContact O-N 3.02Å; I217-A220 PolarHBondContact O-N 3.24Å; A220-M222 VanDerWaalsContact C-N 3.31Å; A220-M222 PolarHBondContact O-N 3.16Å; A220-D223 PolarHBondContact O-N 3.21Å; A220-I224 VanDerWaalsContact O-CG1 3.31Å; A220-I224 WeakPolarHBondContact O-CG1 3.43Å; A220-I224 PolarHBondContact O-N 3.32Å
221I88.3Confident79.3Confident52 Ų5244.6 Ų44.627%0.26727%0.27SS..Hα-helixtrans-61-42.6173.2-66166.2000110.5L32 A35 I217 A218 A219 I224 A225L32-I221 HydrophobicContact CD1-CB 3.91Å; L32-I221 HydrophobicContact CD1-CD1 4.02Å; L32-I221 HydrophobicContact CD1-CG2 3.62Å; A35-I221 HydrophobicContact CB-CD1 3.98Å; I217-I221 HydrophobicContact CG2-CD1 3.86Å; I217-I221 VanDerWaalsContact O-CG1 3.32Å; I217-I221 WeakPolarHBondContact O-CG1 3.36Å; I217-I221 PolarHBondContact O-N 3.42Å; A218-I221 PolarHBondContact O-N 2.96Å; A219-I221 VanDerWaalsContact C-N 3.33Å; A219-I221 PolarHBondContact O-N 3.12Å; I221-I224 PolarHBondContact O-N 3.09Å; I221-A225 VanDerWaalsContact O-CB 3.3Å; I221-A225 WeakPolarHBondContact O-CB 3.49Å; I221-A225 PolarHBondContact O-N 3.07Å
222M87.1Confident76.2Confident10 Ų1054.9 Ų54.95%0.04931%0.308CS..Hα-helixtrans-67.4-40.5176.8-71.1-54.2-58.100112.9M15 C18 D20 L32 A218 A219 A220 I224 A225 I226M15-M222 HydrophobicContact CB-CE 4.16Å; M15-M222 HydrophobicContact CB-SD 4.33Å; M15-M222 HydrophobicContact CE-SD 4.4Å; M15-M222 HydrophobicContact CG-CE 4.18Å; M15-M222 HydrophobicContact CG-CG 4.4Å; M15-M222 HydrophobicContact CG-SD 3.72Å; C18-M222 HydrophobicContact CB-CB 3.64Å; C18-M222 HydrophobicContact CB-CE 4.5Å; C18-M222 HydrophobicContact CB-CG 4.11Å; D20-M222 HydrophobicContact CB-CE 3.91Å; L32-M222 HydrophobicContact CD2-CG 4.4Å; L32-M222 HydrophobicContact CD2-SD 4.06Å; A218-M222 WeakPolarHBondContact O-CG 3.41Å; A218-M222 PolarHBondContact O-N 3.28Å; A219-M222 CarbonylContact O-C 3.59Å; A219-M222 WeakPolarHBondContact O-CB 3.46Å; A219-M222 PolarHBondContact O-N 3.17Å; A219-M222 VanDerWaalsContact O-N 3.1Å; A220-M222 VanDerWaalsContact C-N 3.31Å; A220-M222 PolarHBondContact O-N 3.16Å; M222-I224 VanDerWaalsContact C-N 3.26Å; M222-I224 PolarHBondContact O-N 3.46Å; M222-A225 PolarHBondContact O-N 3.37Å; M222-I226 HydrophobicContact CB-CD1 4.45Å; M222-I226 HydrophobicContact CE-CD1 3.85Å; M222-I226 HydrophobicContact CE-CG1 4.16Å; M222-I226 WeakPolarHBondContact O-CB 3.31Å; M222-I226 VanDerWaalsContact O-CG1 3.29Å; M222-I226 WeakPolarHBondContact O-CG1 3.41Å; M222-I226 PolarHBondContact O-N 3.04Å
223D78.6Confident73.4Confident29 Ų2962.4 Ų62.416%0.15535%0.345CS..Hα-helixtrans-60.2-42.1178-67.8-36.6000109.8R80 H149 A219 A220 S227R80-D223 IonicContact NH1-OD2 2.66Å; R80-D223 PolarHBondContact NH1-OD2 3.48Å; H149-D223 IonicContact CE1-OD1 3.13Å; H149-D223 PolarHBondContact CE1-OD1 2.98Å; H149-D223 IonicContact CE1-OD2 3.16Å; H149-D223 PolarHBondContact CE1-OD2 3.19Å; H149-D223 VanDerWaalsContact CE1-OD2 3.27Å; H149-D223 IonicContact ND1-OD1 2.62Å; H149-D223 PolarHBondContact ND1-OD1 2.53Å; H149-D223 VanDerWaalsContact ND1-OD1 3.16Å; H149-D223 IonicContact ND1-OD2 3.18Å; A219-D223 WeakPolarHBondContact O-CB 3.3Å; A219-D223 PolarHBondContact O-N 2.91Å; A219-D223 VanDerWaalsContact O-OD2 3.07Å; A220-D223 PolarHBondContact O-N 3.21Å; D223-S227 WeakPolarHBondContact O-CB 3.49Å; D223-S227 PolarHBondContact O-N 3.41Å; D223-S227 PolarHBondContact O-OG 2.68Å
224I79.3Confident70.4Confident108 Ų10866.9 Ų66.955%0.55437%0.374SS*.Hα-helixtrans-63.9-55.4170.8-64164.1000109.9A220 I221 M222 I226 S227 L228A220-I224 VanDerWaalsContact O-CG1 3.31Å; A220-I224 WeakPolarHBondContact O-CG1 3.43Å; A220-I224 PolarHBondContact O-N 3.32Å; I221-I224 PolarHBondContact O-N 3.09Å; M222-I224 VanDerWaalsContact C-N 3.26Å; M222-I224 PolarHBondContact O-N 3.46Å; I224-I226 PolarHBondContact O-N 2.93Å; I224-I226 VanDerWaalsContact O-N 3.16Å; I224-S227 PolarHBondContact O-N 3.35Å; I224-L228 HydrophobicContact CG2-CD1 4.36Å; I224-L228 HydrophobicContact CG2-CG 4.34Å; I224-L228 VanDerWaalsContact O-CG 3.31Å; I224-L228 WeakPolarHBondContact O-CG 3.4Å; I224-L228 PolarHBondContact O-N 2.88Å
225A79.4Confident67.4Low53 Ų5371 Ų7144%0.43840%0.396SS..Hα-helixtrans-58.2-33.2-174.400000114.2I221 M222I221-A225 VanDerWaalsContact O-CB 3.3Å; I221-A225 WeakPolarHBondContact O-CB 3.49Å; I221-A225 PolarHBondContact O-N 3.07Å; M222-A225 PolarHBondContact O-N 3.37Å
226I72.8Confident64.6Low70 Ų7074.6 Ų74.636%0.35941%0.414SS..Hα-helixtrans-84.6-32.1178.3-66.5165.9000111.6C18 M222 I224 L228C18-I226 VanDerWaalsContact C-CD1 3.45Å; C18-I226 HydrophobicContact CB-CD1 3.97Å; C18-I226 WeakPolarHBondContact O-CD1 3.34Å; M222-I226 HydrophobicContact CB-CD1 4.45Å; M222-I226 HydrophobicContact CE-CD1 3.85Å; M222-I226 HydrophobicContact CE-CG1 4.16Å; M222-I226 WeakPolarHBondContact O-CB 3.31Å; M222-I226 VanDerWaalsContact O-CG1 3.29Å; M222-I226 WeakPolarHBondContact O-CG1 3.41Å; M222-I226 PolarHBondContact O-N 3.04Å; I224-I226 PolarHBondContact O-N 2.93Å; I224-I226 VanDerWaalsContact O-N 3.16Å; I226-L228 VanDerWaalsContact C-N 3.29Å
227S67Low62Low70 Ų7077.2 Ų77.249%0.4943%0.431SS..Hα-helixtrans-77.1-21176.2-53.50000111.9K152 D223 I224K152-S227 PolarHBondContact NZ-OG 3.34Å; D223-S227 WeakPolarHBondContact O-CB 3.49Å; D223-S227 PolarHBondContact O-N 3.41Å; D223-S227 PolarHBondContact O-OG 2.68Å; I224-S227 PolarHBondContact O-N 3.35Å
228L62.4Low59.5Low103 Ų10380.8 Ų80.854%0.53945%0.45SS..SBendtrans-60.5131.1165.9-70176000108.7I224 I226 S230I224-L228 HydrophobicContact CG2-CD1 4.36Å; I224-L228 HydrophobicContact CG2-CG 4.34Å; I224-L228 VanDerWaalsContact O-CG 3.31Å; I224-L228 WeakPolarHBondContact O-CG 3.4Å; I224-L228 PolarHBondContact O-N 2.88Å; I226-L228 VanDerWaalsContact C-N 3.29Å; L228-S230 PolarHBondContact O-N 2.95Å
229P47Very low57.2Low102 Ų10286 Ų8666%0.66247%0.472SS*.PPolyproline II helixtrans-50.2122.1170.8-23.631.4000108.7P231P229-P231 WeakPolarHBondContact O-CD 3.48Å; P229-P231 VanDerWaalsContact O-N 3.09Å
230S42.4Very low55.3Low101 Ų10187.3 Ų87.371%0.70648%0.481SS*.PPolyproline II helixtrans-48.4123.2178.9179.30000108.5L228 R232L228-S230 PolarHBondContact O-N 2.95Å; S230-R232 PolarHBondContact O-N 3.42Å
231P36.2Very low53.4Low119 Ų11992.6 Ų92.677%0.77350%0.5SS*.  trans-70.685177.828.3-31.7000107.4P229 M233P229-P231 WeakPolarHBondContact O-CD 3.48Å; P229-P231 VanDerWaalsContact O-N 3.09Å; P231-M233 PolarHBondContact O-N 3.42Å
232R31.1Very low51.5Low218 Ų21896.3 Ų96.382%0.82352%0.521SS*.  trans-57.694.2148.2-69.7-177.4-177.8165.42.2104.7S230S230-R232 PolarHBondContact O-N 3.42Å
233M33.7Very low49.9Very low173 Ų17397.7 Ų97.785%0.85253%0.527SS*.SBendtrans37.7137.1157.1-72.3-84.6-168.100118P231P231-M233 PolarHBondContact O-N 3.42Å
234P32.7Very low49.1Very low94 Ų94104 Ų10461%0.6155%0.553SS**SBend-94.6158.3-116.737.6-33.1000114H236P234-H236 VanDerWaalsContact C-N 3.26Å; P234-H236 PolarHBondContact O-N 2.88Å
235N31.9Very low48.3Very low88 Ų88101.6 Ų101.647%0.47154%0.54SS..  trans46.242.3160-55.5-48.4000115.6K382N235-K382 VanDerWaalsContact CG-NZ 3.27Å; N235-K382 PolarHBondContact ND2-NZ 3.3Å; N235-K382 PolarHBondContact OD1-NZ 3.49Å
236H34.7Very low47.4Very low127 Ų127102.6 Ų102.659%0.58855%0.548SS*.  trans-97.2143.8155-124.5-35.9000106.7P234 L238P234-H236 VanDerWaalsContact C-N 3.26Å; P234-H236 PolarHBondContact O-N 2.88Å; H236-L238 PolarHBondContact O-N 3.32Å
237P35.4Very low47.2Very low56 Ų56103.1 Ų103.136%0.36455%0.551SS.*  trans-47131.2160.6-16.630.9000105.9K239P237-K239 PolarHBondContact O-N 2.96Å
238L42.3Very low47.3Very low92 Ų9299.8 Ų99.848%0.48253%0.528SS..  trans-41109.3172.7-83.7154.3000106H236 P240 M243 L294H236-L238 PolarHBondContact O-N 3.32Å; L238-P240 WeakPolarHBondContact O-CD 3.5Å; L238-P240 WeakPolarHBondContact O-CG 3.21Å; L238-M243 HydrophobicContact CD2-SD 4.21Å; L238-L294 HydrophobicContact CD1-CD2 4.07Å
239K44.1Very low48Very low108 Ų10898.1 Ų98.147%0.4752%0.515SS..  trans-66.9109.5174.4-80.9-163.6174.7-164.10103.4P237 E241 D242P237-K239 PolarHBondContact O-N 2.96Å; K239-E241 PolarHBondContact O-N 3.46Å; K239-D242 PolarHBondContact O-N 3.1Å
240P47.5Very low49.5Very low28 Ų2899.1 Ų99.118%0.18251%0.51CS..G310 helixtrans-64.8-16-168.6-17.933.3000111.6L238 D242 M243 N297L238-P240 WeakPolarHBondContact O-CD 3.5Å; L238-P240 WeakPolarHBondContact O-CG 3.21Å; P240-D242 PolarHBondContact O-N 3.43Å; P240-D242 VanDerWaalsContact O-N 3.15Å; P240-M243 PolarHBondContact O-N 3.05Å; P240-N297 WeakPolarHBondContact CA-ND2 3.37Å; P240-N297 HydrophobicContact CB-CB 3.27Å; P240-N297 WeakPolarHBondContact CB-ND2 3.31Å; P240-N297 WeakPolarHBondContact CB-OD1 3.46Å; P240-N297 HydrophobicContact CG-CB 4.19Å; P240-N297 PolarHBondContact O-ND2 2.85Å; P240-N297 PolarHBondContact O-OD1 3.47Å
241E47.8Very low51.3Low143 Ų14396.8 Ų96.867%0.66849%0.492SS*.G310 helixtrans-55.6-21.2176.2-55.7171.3-132.800115.8K239K239-E241 PolarHBondContact O-N 3.46Å
242D48.4Very low53.4Low131 Ų13191.1 Ų91.170%0.70146%0.455SS*.G310 helixtrans-105.8-7.8-175-75.8-31000114.8K239 P240K239-D242 PolarHBondContact O-N 3.1Å; P240-D242 PolarHBondContact O-N 3.43Å; P240-D242 VanDerWaalsContact O-N 3.15Å
243M53.1Low56Low39 Ų3984.4 Ų84.419%0.19244%0.435CS..SBendtrans-90.6134179.7-72.6-178.868.400110.8L238 P240 D247 C248 V251 L294L238-M243 HydrophobicContact CD2-SD 4.21Å; P240-M243 PolarHBondContact O-N 3.05Å; M243-D247 HydrophobicContact CE-CB 4.25Å; M243-C248 WeakPolarHBondContact CB-SG 3.41Å; M243-C248 HydrophobicContact CE-CB 4.42Å; M243-V251 HydrophobicContact CE-CG2 4.45Å; M243-L294 HydrophobicContact SD-CD2 4.34Å
244K62.2Low58.4Low161 Ų16182 Ų8270%0.742%0.423SS*.  trans-67.2141.8168.1-65.8-176.2-177.91770108.4A246 D247 C248K244-A246 PolarHBondContact O-N 2.95Å; K244-A246 VanDerWaalsContact O-N 3.12Å; K244-D247 PolarHBondContact O-N 3.01Å; K244-C248 PolarHBondContact O-N 2.84Å
245E61.9Low60.8Low58 Ų5879.2 Ų79.227%0.27140%0.402SS..Hα-helixtrans-50-40.9-177179.4173.1-160.500113.9D247 C248 W249 L300 E301E245-D247 VanDerWaalsContact C-N 3.34Å; E245-D247 PolarHBondContact O-N 3.34Å; E245-C248 WeakPolarHBondContact O-CB 3.37Å; E245-C248 PolarHBondContact O-N 3.18Å; E245-W249 PolarHBondContact O-N 3.45Å; E245-W249 VanDerWaalsContact O-N 3.09Å; E245-L300 HydrophobicContact CG-CD2 4.3Å; E245-E301 WeakPolarHBondContact OE1-CB 3.4Å; E245-E301 WeakPolarHBondContact OE1-CG 3.41Å; E245-E301 PolarHBondContact OE1-N 3.42Å
246A61.8Low63.4Low73 Ų7376.9 Ų76.960%0.60339%0.388SS*.Hα-helixtrans-60.9-41178.400000112.9K244 C248 W249 E250K244-A246 PolarHBondContact O-N 2.95Å; K244-A246 VanDerWaalsContact O-N 3.12Å; A246-C248 VanDerWaalsContact C-N 3.33Å; A246-W249 PolarHBondContact O-N 2.62Å; A246-E250 PolarHBondContact O-N 3.33Å; A246-E250 VanDerWaalsContact O-N 3.17Å
247D68.3Low65.9Low81 Ų8177.9 Ų77.943%0.43339%0.393SS..Hα-helixtrans-70.9-33.4179.8-54.9-30.7000110.5M243 K244 E245 V251M243-D247 HydrophobicContact CE-CB 4.25Å; K244-D247 PolarHBondContact O-N 3.01Å; E245-D247 VanDerWaalsContact C-N 3.34Å; E245-D247 PolarHBondContact O-N 3.34Å; D247-V251 WeakPolarHBondContact O-CG2 3.09Å; D247-V251 PolarHBondContact O-N 3.16Å
248C68.1Low68.2Low0 Ų078.8 Ų78.80%039%0.394CS..Hα-helixtrans-63.3-47.6173.4-75.40000111.6M243 K244 E245 A246 E250 V251 V252 N297 L300M243-C248 WeakPolarHBondContact CB-SG 3.41Å; M243-C248 HydrophobicContact CE-CB 4.42Å; K244-C248 PolarHBondContact O-N 2.84Å; E245-C248 WeakPolarHBondContact O-CB 3.37Å; E245-C248 PolarHBondContact O-N 3.18Å; A246-C248 VanDerWaalsContact C-N 3.33Å; C248-E250 PolarHBondContact O-N 3.07Å; C248-V251 PolarHBondContact O-N 3.41Å; C248-V252 WeakPolarHBondContact O-CB 3.25Å; C248-V252 VanDerWaalsContact O-CG2 3.23Å; C248-V252 WeakPolarHBondContact O-CG2 3.35Å; C248-V252 PolarHBondContact O-N 3.45Å; C248-N297 PolarHBondContact SG-ND2 3.32Å; C248-N297 VanDerWaalsContact SG-ND2 3.36Å; C248-L300 HydrophobicContact CB-CD2 3.74Å
249W77.9Confident70Confident68 Ų6874.7 Ų74.726%0.25837%0.374SS..Hα-helixtrans-66.6-36.4-178.2-85112.3000113.1E245 A246 V252 N253E245-W249 PolarHBondContact O-N 3.45Å; E245-W249 VanDerWaalsContact O-N 3.09Å; A246-W249 PolarHBondContact O-N 2.62Å; W249-V252 HydrophobicContact CE3-CB 4.4Å; W249-V252 HydrophobicContact CE3-CG1 4.09Å; W249-V252 HydrophobicContact CZ3-CG1 4.1Å; W249-V252 PolarHBondContact O-N 3.39Å; W249-N253 WeakPolarHBondContact O-CB 3.44Å; W249-N253 PolarHBondContact O-N 3.06Å; W249-N253 PolarHBondContact O-ND2 2.75Å; W249-N253 VanDerWaalsContact O-ND2 3.16Å
250E78.4Confident71.9Confident123 Ų12373.3 Ų73.358%0.57537%0.374SS*.Hα-helixtrans-59.9-49.6174.7-171.3173.2-169.200110.9A246 C248 V252 N253 E254A246-E250 PolarHBondContact O-N 3.33Å; A246-E250 VanDerWaalsContact O-N 3.17Å; C248-E250 PolarHBondContact O-N 3.07Å; E250-V252 PolarHBondContact O-N 2.89Å; E250-N253 PolarHBondContact O-N 3.47Å; E250-E254 PolarHBondContact O-N 3.35Å; E250-E254 VanDerWaalsContact O-N 3.07Å
251V78.9Confident73.5Confident52 Ų5274 Ų7432%0.31538%0.383SS..Hα-helixtrans-65.2-40.5178177.20000111.9M243 D247 C248 N253 E254 L255 L294M243-V251 HydrophobicContact CE-CG2 4.45Å; D247-V251 WeakPolarHBondContact O-CG2 3.09Å; D247-V251 PolarHBondContact O-N 3.16Å; C248-V251 PolarHBondContact O-N 3.41Å; V251-N253 VanDerWaalsContact C-N 3.34Å; V251-N253 PolarHBondContact O-N 3.04Å; V251-E254 PolarHBondContact O-N 3.36Å; V251-L255 HydrophobicContact CG1-CD1 3.81Å; V251-L255 HydrophobicContact CG1-CG 4.28Å; V251-L255 WeakPolarHBondContact O-CB 3.41Å; V251-L255 VanDerWaalsContact O-CG 3.3Å; V251-L255 WeakPolarHBondContact O-CG 3.3Å; V251-L255 PolarHBondContact O-N 2.92Å; V251-L294 HydrophobicContact CG1-CD1 3.75Å
252V82Confident75Confident0 Ų067.9 Ų67.90%035%0.354CS..Hα-helixtrans-59.9-45.9175.71650000110.4C248 W249 E250 L255 Q256 L291 L294 L295C248-V252 WeakPolarHBondContact O-CB 3.25Å; C248-V252 VanDerWaalsContact O-CG2 3.23Å; C248-V252 WeakPolarHBondContact O-CG2 3.35Å; C248-V252 PolarHBondContact O-N 3.45Å; W249-V252 HydrophobicContact CE3-CB 4.4Å; W249-V252 HydrophobicContact CE3-CG1 4.09Å; W249-V252 HydrophobicContact CZ3-CG1 4.1Å; W249-V252 PolarHBondContact O-N 3.39Å; E250-V252 PolarHBondContact O-N 2.89Å; V252-L255 PolarHBondContact O-N 3.28Å; V252-Q256 HydrophobicContact CG1-CG 4.21Å; V252-Q256 WeakPolarHBondContact O-CB 3.32Å; V252-Q256 WeakPolarHBondContact O-CG 3.18Å; V252-Q256 PolarHBondContact O-N 3.23Å; V252-L291 HydrophobicContact CG1-CD2 4.45Å; V252-L294 HydrophobicContact CG2-CB 4.11Å; V252-L295 HydrophobicContact CG1-CD2 3.93Å; V252-L295 HydrophobicContact CG1-CG 4.46Å; V252-L295 HydrophobicContact CG2-CD2 4.15Å; V252-L295 HydrophobicContact CG2-CG 4.37Å
253N85Confident76.3Confident77 Ų7765.8 Ų65.841%0.41234%0.343SS..Hα-helixtrans-64-46.4-179.3-70.2-25.3000111.7W249 E250 V251 L255 Q256 E257W249-N253 WeakPolarHBondContact O-CB 3.44Å; W249-N253 PolarHBondContact O-N 3.06Å; W249-N253 PolarHBondContact O-ND2 2.75Å; W249-N253 VanDerWaalsContact O-ND2 3.16Å; E250-N253 PolarHBondContact O-N 3.47Å; V251-N253 VanDerWaalsContact C-N 3.34Å; V251-N253 PolarHBondContact O-N 3.04Å; N253-L255 VanDerWaalsContact C-N 3.34Å; N253-L255 PolarHBondContact O-N 3.13Å; N253-Q256 PolarHBondContact O-N 2.9Å; N253-E257 WeakPolarHBondContact O-CG 3.19Å; N253-E257 PolarHBondContact O-N 3.3Å
254E84.4Confident77.6Confident124 Ų12469.8 Ų69.858%0.57937%0.365SS*.Hα-helixtrans-60.5-43.3177-70.9-172.6164.600112.1E250 V251 E257 L258E250-E254 PolarHBondContact O-N 3.35Å; E250-E254 VanDerWaalsContact O-N 3.07Å; V251-E254 PolarHBondContact O-N 3.36Å; E254-E257 PolarHBondContact O-N 3.45Å; E254-L258 PolarHBondContact O-N 3.29Å; E254-L258 VanDerWaalsContact O-N 3.09Å
255L83.5Confident78.2Confident34 Ų3467.8 Ų67.818%0.17836%0.362CS..Hα-helixtrans-69.9-34178.5-72.4176.4000112.2V251 V252 N253 L258 A259 I287 L291 L294V251-L255 HydrophobicContact CG1-CD1 3.81Å; V251-L255 HydrophobicContact CG1-CG 4.28Å; V251-L255 WeakPolarHBondContact O-CB 3.41Å; V251-L255 VanDerWaalsContact O-CG 3.3Å; V251-L255 WeakPolarHBondContact O-CG 3.3Å; V251-L255 PolarHBondContact O-N 2.92Å; V252-L255 PolarHBondContact O-N 3.28Å; N253-L255 VanDerWaalsContact C-N 3.34Å; N253-L255 PolarHBondContact O-N 3.13Å; L255-L258 PolarHBondContact O-N 3.31Å; L255-A259 WeakPolarHBondContact O-CB 3.29Å; L255-A259 PolarHBondContact O-N 2.99Å; L255-I287 HydrophobicContact CD2-CG1 4.45Å; L255-I287 HydrophobicContact CD2-CG2 4.33Å; L255-L291 HydrophobicContact CB-CD1 4.23Å; L255-L291 HydrophobicContact CB-CD2 3.4Å; L255-L291 HydrophobicContact CB-CG 3.7Å; L255-L291 HydrophobicContact CD1-CD2 4.34Å; L255-L291 HydrophobicContact CD1-CG 4.46Å; L255-L294 HydrophobicContact CD1-CD1 3.64Å
256Q86Confident78.9Confident40 Ų4071.5 Ų71.519%0.18738%0.377CS..Hα-helixtrans-65.4-44175.1-78.3-179.8-100111.2V252 N253 L258 A259 V260 L291 Y313V252-Q256 HydrophobicContact CG1-CG 4.21Å; V252-Q256 WeakPolarHBondContact O-CB 3.32Å; V252-Q256 WeakPolarHBondContact O-CG 3.18Å; V252-Q256 PolarHBondContact O-N 3.23Å; N253-Q256 PolarHBondContact O-N 2.9Å; Q256-L258 VanDerWaalsContact C-N 3.27Å; Q256-L258 PolarHBondContact O-N 3.27Å; Q256-A259 PolarHBondContact O-N 3.35Å; Q256-V260 WeakPolarHBondContact O-CG2 3.3Å; Q256-V260 PolarHBondContact O-N 2.96Å; Q256-L291 HydrophobicContact CG-CD1 4.34Å; Q256-L291 HydrophobicContact CG-CD2 3.77Å; Q256-Y313 HydrophobicContact CG-CE2 4.49Å
257E86.4Confident79.2Confident148 Ų14869.7 Ų69.769%0.69236%0.357SS*.Hα-helixtrans-58.9-42.2173.8-72.4-176.6179.700111.4N253 E254 V260 A261N253-E257 WeakPolarHBondContact O-CG 3.19Å; N253-E257 PolarHBondContact O-N 3.3Å; E254-E257 PolarHBondContact O-N 3.45Å; E257-V260 PolarHBondContact O-N 3.13Å; E257-A261 WeakPolarHBondContact O-CB 3.35Å; E257-A261 PolarHBondContact O-N 3.41Å
258L83.3Confident79.5Confident74 Ų7466.9 Ų66.939%0.38734%0.34SS..Hα-helixtrans-67.8-40.3177.5-171.161.1000112.5E254 L255 Q256 A261 I262 I287E254-L258 PolarHBondContact O-N 3.29Å; E254-L258 VanDerWaalsContact O-N 3.09Å; L255-L258 PolarHBondContact O-N 3.31Å; Q256-L258 VanDerWaalsContact C-N 3.27Å; Q256-L258 PolarHBondContact O-N 3.27Å; L258-A261 WeakPolarHBondContact O-CB 3.47Å; L258-A261 PolarHBondContact O-N 3.26Å; L258-I262 HydrophobicContact CG-CD1 4.11Å; L258-I262 WeakPolarHBondContact O-CD1 3.32Å; L258-I262 VanDerWaalsContact O-CG1 3.31Å; L258-I262 WeakPolarHBondContact O-CG1 3.4Å; L258-I262 PolarHBondContact O-N 3.25Å; L258-I287 HydrophobicContact CD2-CD1 3.31Å; L258-I287 HydrophobicContact CD2-CG1 4.13Å; L258-I287 HydrophobicContact CG-CD1 3.69Å
259A81.9Confident79.8Confident6 Ų669.9 Ų69.95%0.0536%0.357CS..Hα-helixtrans-61.1-45.7175.200000111.3L255 Q256 A261 I262 D263 I287 L291 Y313L255-A259 WeakPolarHBondContact O-CB 3.29Å; L255-A259 PolarHBondContact O-N 2.99Å; Q256-A259 PolarHBondContact O-N 3.35Å; A259-A261 VanDerWaalsContact C-N 3.31Å; A259-A261 PolarHBondContact O-N 2.93Å; A259-I262 PolarHBondContact O-N 2.94Å; A259-D263 PolarHBondContact O-N 2.88Å; A259-I287 HydrophobicContact CB-CG2 4.01Å; A259-L291 HydrophobicContact CB-CD1 3.73Å; A259-Y313 HydrophobicContact CB-CE1 4.44Å
260V83.6Confident79.3Confident79 Ų7973.1 Ų73.148%0.47938%0.379SS..Hα-helixtrans-61.5-40.1175.1171.40000111.1Q256 E257 N264Q256-V260 WeakPolarHBondContact O-CG2 3.3Å; Q256-V260 PolarHBondContact O-N 2.96Å; E257-V260 PolarHBondContact O-N 3.13Å; V260-N264 WeakPolarHBondContact CG1-ND2 3.31Å; V260-N264 WeakPolarHBondContact O-CB 3.32Å; V260-N264 PolarHBondContact O-N 3.45Å; V260-N264 PolarHBondContact O-ND2 2.82Å
261A81.3Confident79Confident43 Ų4376 Ų7636%0.35539%0.389SS..Hα-helixtrans-62.7-42175.300000112.1E257 L258 A259 N264 L265E257-A261 WeakPolarHBondContact O-CB 3.35Å; E257-A261 PolarHBondContact O-N 3.41Å; L258-A261 WeakPolarHBondContact O-CB 3.47Å; L258-A261 PolarHBondContact O-N 3.26Å; A259-A261 VanDerWaalsContact C-N 3.31Å; A259-A261 PolarHBondContact O-N 2.93Å; A261-N264 PolarHBondContact O-N 3.31Å; A261-L265 VanDerWaalsContact O-CG 3.27Å; A261-L265 WeakPolarHBondContact O-CG 3.18Å; A261-L265 PolarHBondContact O-N 2.9Å
262I78Confident78.6Confident15 Ų1576.9 Ų76.98%0.07739%0.39CS..Hα-helixtrans-64.5-45.9177.7-73161000111.6L258 A259 N264 L265 K266 L267 Y268 M284 I287L258-I262 HydrophobicContact CG-CD1 4.11Å; L258-I262 WeakPolarHBondContact O-CD1 3.32Å; L258-I262 VanDerWaalsContact O-CG1 3.31Å; L258-I262 WeakPolarHBondContact O-CG1 3.4Å; L258-I262 PolarHBondContact O-N 3.25Å; A259-I262 PolarHBondContact O-N 2.94Å; I262-N264 VanDerWaalsContact C-N 3.3Å; I262-N264 PolarHBondContact O-N 3.48Å; I262-L265 WeakPolarHBondContact O-CB 3.36Å; I262-L265 PolarHBondContact O-N 3.19Å; I262-L265 VanDerWaalsContact O-N 3.14Å; I262-K266 PolarHBondContact O-N 2.83Å; I262-L267 HydrophobicContact CG2-CD1 4.31Å; I262-Y268 HydrophobicContact CG2-CD2 4.17Å; I262-Y268 HydrophobicContact CG2-CE2 3.56Å; I262-M284 HydrophobicContact CD1-CB 3.83Å; I262-M284 HydrophobicContact CD1-CG 4.47Å; I262-I287 HydrophobicContact CD1-CD1 3.23Å; I262-I287 HydrophobicContact CD1-CG1 4.45Å
263D77.2Confident78.5Confident86 Ų8683 Ų8346%0.4642%0.419SS..Hα-helixtrans-62-40.2177.2-77.6-17.7000111.4A259 L265 K266 H316A259-D263 PolarHBondContact O-N 2.88Å; D263-L265 VanDerWaalsContact C-N 3.29Å; D263-L265 PolarHBondContact O-N 3.46Å; D263-K266 PolarHBondContact O-N 3.31Å; D263-H316 IonicContact OD1-CE1 2.64Å; D263-H316 IonicContact OD1-NE2 2.88Å
264N78.6Confident78.3Confident123 Ų12381.1 Ų81.166%0.65841%0.409SS*.Hα-helixtrans-65.1-31.5175.9-76.5-36.2000113.1V260 A261 I262 K266V260-N264 WeakPolarHBondContact CG1-ND2 3.31Å; V260-N264 WeakPolarHBondContact O-CB 3.32Å; V260-N264 PolarHBondContact O-N 3.45Å; V260-N264 PolarHBondContact O-ND2 2.82Å; A261-N264 PolarHBondContact O-N 3.31Å; I262-N264 VanDerWaalsContact C-N 3.3Å; I262-N264 PolarHBondContact O-N 3.48Å; N264-K266 PolarHBondContact O-N 3.19Å
265L76.3Confident78.2Confident120 Ų12081.5 Ų81.563%0.62842%0.415SS*.Hα-helixtrans-74.3-13.7174.8-69.8170.7000112.7A261 I262 D263 L267A261-L265 VanDerWaalsContact O-CG 3.27Å; A261-L265 WeakPolarHBondContact O-CG 3.18Å; A261-L265 PolarHBondContact O-N 2.9Å; I262-L265 WeakPolarHBondContact O-CB 3.36Å; I262-L265 PolarHBondContact O-N 3.19Å; I262-L265 VanDerWaalsContact O-N 3.14Å; D263-L265 VanDerWaalsContact C-N 3.29Å; D263-L265 PolarHBondContact O-N 3.46Å; L265-L267 HydrophobicContact CB-CD1 4.07Å; L265-L267 HydrophobicContact CB-CD2 4.34Å; L265-L267 HydrophobicContact CB-CG 3.7Å; L265-L267 HydrophobicContact CD1-CD1 3.95Å; L265-L267 HydrophobicContact CD1-CG 4.41Å; L265-L267 PolarHBondContact O-N 3.23Å
266K75.9Confident78.1Confident135 Ų13585.7 Ų85.759%0.58744%0.437SS*.THydrogen-bonded Turntrans5532.3-178.5-60.4-172.5174.9-169.40113.4I262 D263 N264 Y268 D269I262-K266 PolarHBondContact O-N 2.83Å; D263-K266 PolarHBondContact O-N 3.31Å; N264-K266 PolarHBondContact O-N 3.19Å; K266-Y268 PolarHBondContact O-N 2.98Å; K266-D269 HydrophobicContact CB-CB 4.25Å; K266-D269 WeakPolarHBondContact O-CB 3.26Å; K266-D269 PolarHBondContact O-N 3.09Å; K266-D269 VanDerWaalsContact O-N 3.12Å
267L68Low77.9Confident35 Ų3584.1 Ų84.118%0.18343%0.43CS..THydrogen-bonded Turntrans-61-6.3-178.3-69.3171000114.5I262 L265 E272I262-L267 HydrophobicContact CG2-CD1 4.31Å; L265-L267 HydrophobicContact CB-CD1 4.07Å; L265-L267 HydrophobicContact CB-CD2 4.34Å; L265-L267 HydrophobicContact CB-CG 3.7Å; L265-L267 HydrophobicContact CD1-CD1 3.95Å; L265-L267 HydrophobicContact CD1-CG 4.41Å; L265-L267 PolarHBondContact O-N 3.23Å; L267-E272 VanDerWaalsContact C-OE2 3.31Å
268Y75Confident77.9Confident22 Ų2279.4 Ų79.49%0.08641%0.414CS..THydrogen-bonded Turntrans-137.630.5-180-48.7-60.3000111.5I262 K266 V277 D281 M284 L285 I320 K323 F324I262-Y268 HydrophobicContact CG2-CD2 4.17Å; I262-Y268 HydrophobicContact CG2-CE2 3.56Å; K266-Y268 PolarHBondContact O-N 2.98Å; Y268-V277 HydrophobicContact CE1-CG1 4.25Å; Y268-D281 PolarHBondContact OH-O 3.06Å; Y268-M284 WeakPolarHBondContact OH-CB 3.21Å; Y268-L285 HydrophobicContact CD1-CD2 3.76Å; Y268-L285 HydrophobicContact CD1-CG 4.36Å; Y268-L285 HydrophobicContact CD2-CD2 3.7Å; Y268-L285 HydrophobicContact CE1-CD1 4.2Å; Y268-L285 HydrophobicContact CE1-CD2 3.49Å; Y268-L285 VanDerWaalsContact CE1-CD2 3.49Å; Y268-L285 HydrophobicContact CE1-CG 3.68Å; Y268-L285 HydrophobicContact CE2-CD2 3.39Å; Y268-L285 HydrophobicContact CE2-CG 4.13Å; Y268-L285 HydrophobicContact CG-CD2 3.88Å; Y268-L285 PolarHBondContact OH-N 3.2Å; Y268-I320 HydrophobicContact CD2-CD1 4.2Å; Y268-I320 HydrophobicContact CG-CG2 4.41Å; Y268-K323 PolarHBondContact O-NZ 3.19Å; Y268-F324 AromaticContact CD1-CE2 3.72Å; Y268-F324 HydrophobicContact CD1-CE2 3.72Å; Y268-F324 HydrophobicContact CD1-CZ 4.12Å; Y268-F324 HydrophobicContact CG-CE2 4.14Å
269D73.5Confident77.9Confident64 Ų6476.6 Ų76.634%0.34240%0.399SS..  trans-60.6162.8178.1-159.7-4.5000111.6K266 K271 E272 K323K266-D269 HydrophobicContact CB-CB 4.25Å; K266-D269 WeakPolarHBondContact O-CB 3.26Å; K266-D269 PolarHBondContact O-N 3.09Å; K266-D269 VanDerWaalsContact O-N 3.12Å; D269-K271 PolarHBondContact O-N 2.64Å; D269-E272 PolarHBondContact O-N 3.44Å; D269-K323 PolarHBondContact O-NZ 3.3Å
270D68.1Low77.8Confident135 Ų13580.8 Ų80.872%0.72242%0.421SS*.THydrogen-bonded Turntrans-62.8-10.5-175.9-68.3-21.7000114.4K323D270-K323 VanDerWaalsContact N-NZ 3.15Å; D270-K323 IonicContact OD1-NZ 2.68Å; D270-K323 PolarHBondContact OD1-NZ 3.19Å
271K71.6Confident77.8Confident183 Ų18379.7 Ų79.780%0.79641%0.413SS*.THydrogen-bonded Turntrans-97.1-14.2-178.7-60.9-178.8-175173.40113.6D269D269-K271 PolarHBondContact O-N 2.64Å
272E71.5Confident78Confident71 Ų7177.7 Ų77.733%0.33240%0.396SS..  trans-81.9135.7-177.1-67.7-161.8177.900111.4L267 D269L267-E272 VanDerWaalsContact C-OE2 3.31Å; D269-E272 PolarHBondContact O-N 3.44Å
273Q79.4Confident78.3Confident130 Ų13082 Ų8261%0.60741%0.411SS*.  trans-91.7145.2168.7-59.4-162.7-14.400109.2D275 D276Q273-D275 PolarHBondContact O-N 3.47Å; Q273-D275 VanDerWaalsContact O-N 3.1Å; Q273-D276 WeakPolarHBondContact O-CB 3.39Å; Q273-D276 PolarHBondContact O-N 2.65Å
274L81.5Confident78.7Confident37 Ų3781.6 Ų81.619%0.19441%0.407CS..G310 helixtrans-51.8-40.2179.8-179.261.2000111.6D276 V277 L282 F324 I326 R395 L399L274-D276 PolarHBondContact O-N 2.96Å; L274-V277 WeakPolarHBondContact O-CB 3.28Å; L274-V277 PolarHBondContact O-N 3.48Å; L274-V277 VanDerWaalsContact O-N 3.16Å; L274-L282 HydrophobicContact CD1-CD1 4.36Å; L274-L282 HydrophobicContact CD1-CD2 3.5Å; L274-L282 VanDerWaalsContact CD1-CD2 3.5Å; L274-F324 HydrophobicContact CB-CB 4.46Å; L274-F324 HydrophobicContact CB-CD1 3.9Å; L274-F324 HydrophobicContact CB-CG 4.48Å; L274-F324 HydrophobicContact CD1-CB 4.09Å; L274-F324 HydrophobicContact CD1-CD1 4.25Å; L274-F324 HydrophobicContact CD1-CG 4.15Å; L274-I326 HydrophobicContact CD1-CD1 3.88Å; L274-I326 HydrophobicContact CD1-CG1 4.26Å; L274-I326 HydrophobicContact CD2-CD1 4.49Å; L274-I326 HydrophobicContact CD2-CG1 3.98Å; L274-R395 PolarHBondContact O-NH2 3.38Å; L274-L399 HydrophobicContact CD2-CD2 4.36Å
275D81.7Confident79.1Confident132 Ų13275.9 Ų75.971%0.70638%0.377SS*.G310 helixtrans-64.9-21.8-178.2-69.9-24000114.2Q273Q273-D275 PolarHBondContact O-N 3.47Å; Q273-D275 VanDerWaalsContact O-N 3.1Å
276D81.7Confident79.6Confident122 Ų12271.6 Ų71.665%0.65235%0.352SS*.G310 helixtrans-84.8-19.7177.5-61.4-38.6000112.3Q273 L274Q273-D276 WeakPolarHBondContact O-CB 3.39Å; Q273-D276 PolarHBondContact O-N 2.65Å; L274-D276 PolarHBondContact O-N 2.96Å
277V82Confident80.1Confident6 Ų665.8 Ų65.84%0.03633%0.327CS..SBendtrans-76.5125.5179.8-1740000109.5Y268 L274 D281 L282 R395Y268-V277 HydrophobicContact CE1-CG1 4.25Å; L274-V277 WeakPolarHBondContact O-CB 3.28Å; L274-V277 PolarHBondContact O-N 3.48Å; L274-V277 VanDerWaalsContact O-N 3.16Å; V277-D281 HydrophobicContact CG1-CB 3.67Å; V277-L282 HydrophobicContact CB-CD2 4.05Å; V277-L282 HydrophobicContact CB-CG 4.29Å; V277-L282 HydrophobicContact CG1-CD2 3.7Å; V277-L282 HydrophobicContact CG1-CG 3.84Å; V277-R395 PolarHBondContact O-NH1 2.92Å; V277-R395 PolarHBondContact O-NH2 2.72Å
278S85.2Confident81.1Confident50 Ų5064.7 Ų64.735%0.3532%0.323SS..  trans-63.5155.7179.384.50000111.5D280 D281 L282S278-D280 PolarHBondContact O-N 3.13Å; S278-D281 WeakPolarHBondContact CB-OD2 3.31Å; S278-D281 PolarHBondContact O-N 3.45Å; S278-D281 PolarHBondContact OG-N 2.94Å; S278-D281 VanDerWaalsContact OG-N 3.09Å; S278-D281 PolarHBondContact OG-OD2 2.75Å; S278-L282 WeakPolarHBondContact O-CG 3.49Å; S278-L282 PolarHBondContact O-N 3.44Å
279T84.5Confident81.7Confident14 Ų1463.7 Ų63.79%0.08632%0.319CS..Hα-helixtrans-62-29.7178.9-57.50000112.2R283 R395 C398T279-R283 PolarHBondContact O-N 3.45Å; T279-R395 HydrophobicContact CG2-CB 4.22Å; T279-C398 HydrophobicContact CG2-CB 4.1Å
280D80Confident82.4Confident95 Ų9564.3 Ų64.351%0.50832%0.317SS..Hα-helixtrans-74.1-41176.3-71.7-32000111.5S278 L282 R283S278-D280 PolarHBondContact O-N 3.13Å; D280-L282 VanDerWaalsContact C-N 3.29Å; D280-L282 PolarHBondContact O-N 3.26Å; D280-R283 WeakPolarHBondContact O-CB 3.23Å; D280-R283 PolarHBondContact O-N 2.93Å; D280-R283 IonicContact OD1-CZ 2.77Å; D280-R283 IonicContact OD1-NH1 3.74Å; D280-R283 PolarHBondContact OD1-NH1 2.91Å
281D83.5Confident83.4Confident56 Ų5657.9 Ų57.930%0.29928%0.283SS..Hα-helixtrans-65.8-33.4174.9-58.9-38.8000111.3Y268 V277 S278 R283 M284Y268-D281 PolarHBondContact OH-O 3.06Å; V277-D281 HydrophobicContact CG1-CB 3.67Å; S278-D281 WeakPolarHBondContact CB-OD2 3.31Å; S278-D281 PolarHBondContact O-N 3.45Å; S278-D281 PolarHBondContact OG-N 2.94Å; S278-D281 VanDerWaalsContact OG-N 3.09Å; S278-D281 PolarHBondContact OG-OD2 2.75Å; D281-R283 PolarHBondContact O-N 3.34Å; D281-M284 WeakPolarHBondContact O-CB 3.36Å; D281-M284 PolarHBondContact O-N 3.14Å; D281-M284 VanDerWaalsContact O-N 3.12Å
282L84.9Confident84.1Confident0 Ų049.2 Ų49.20%025%0.245CC..Hα-helixtrans-61.7-30.3172.3-73.9-179.7000113.2L274 V277 S278 D280 M284 L285 R395 L399 L402L274-L282 HydrophobicContact CD1-CD1 4.36Å; L274-L282 HydrophobicContact CD1-CD2 3.5Å; L274-L282 VanDerWaalsContact CD1-CD2 3.5Å; V277-L282 HydrophobicContact CB-CD2 4.05Å; V277-L282 HydrophobicContact CB-CG 4.29Å; V277-L282 HydrophobicContact CG1-CD2 3.7Å; V277-L282 HydrophobicContact CG1-CG 3.84Å; S278-L282 WeakPolarHBondContact O-CG 3.49Å; S278-L282 PolarHBondContact O-N 3.44Å; D280-L282 VanDerWaalsContact C-N 3.29Å; D280-L282 PolarHBondContact O-N 3.26Å; L282-M284 PolarHBondContact O-N 3.41Å; L282-L285 HydrophobicContact CD2-CD1 3.99Å; L282-L285 WeakPolarHBondContact O-CB 3.28Å; L282-L285 PolarHBondContact O-N 3.4Å; L282-R395 HydrophobicContact CD1-CG 4.37Å; L282-R395 VanDerWaalsContact CD1-NH1 3.32Å; L282-L399 HydrophobicContact CD1-CD2 3.98Å; L282-L402 HydrophobicContact CB-CD1 4.38Å
283R85.3Confident84.9Confident106 Ų10647 Ų4740%0.424%0.235SC..Hα-helixtrans-68.5-29.4177.4-67.6172.5176152.9-4.1111.6T279 D280 D281 L285 R286 C398T279-R283 PolarHBondContact O-N 3.45Å; D280-R283 WeakPolarHBondContact O-CB 3.23Å; D280-R283 PolarHBondContact O-N 2.93Å; D280-R283 IonicContact OD1-CZ 2.77Å; D280-R283 IonicContact OD1-NH1 3.74Å; D280-R283 PolarHBondContact OD1-NH1 2.91Å; D281-R283 PolarHBondContact O-N 3.34Å; R283-L285 PolarHBondContact O-N 3.05Å; R283-R286 WeakPolarHBondContact O-CB 3.14Å; R283-R286 WeakPolarHBondContact O-CG 3.31Å; R283-R286 PolarHBondContact O-N 3.39Å; R283-R286 VanDerWaalsContact O-N 3.13Å; R283-C398 WeakPolarHBondContact CG-SG 3.41Å
284M84.4Confident85.2Confident77 Ų7741.1 Ų41.138%0.37921%0.208SC..Hα-helixtrans-64.7-23.8179.4-59.6-59.1-17900112.4I262 Y268 D281 L282 R286 I287I262-M284 HydrophobicContact CD1-CB 3.83Å; I262-M284 HydrophobicContact CD1-CG 4.47Å; Y268-M284 WeakPolarHBondContact OH-CB 3.21Å; D281-M284 WeakPolarHBondContact O-CB 3.36Å; D281-M284 PolarHBondContact O-N 3.14Å; D281-M284 VanDerWaalsContact O-N 3.12Å; L282-M284 PolarHBondContact O-N 3.41Å; M284-R286 PolarHBondContact O-N 3.43Å; M284-I287 HydrophobicContact CB-CD1 4.15Å; M284-I287 WeakPolarHBondContact O-CB 3.35Å; M284-I287 WeakPolarHBondContact O-CD1 3.39Å; M284-I287 WeakPolarHBondContact O-CG1 3.38Å; M284-I287 PolarHBondContact O-N 3.47Å; M284-I287 HydrophobicContact SD-CD1 3.88Å
285L86.2Confident85.5Confident3 Ų339.4 Ų39.42%0.01620%0.199CC..THydrogen-bonded Turntrans-55.3-24.9172.3-71.6173.8000113.4Y268 L282 R283 I287 Y317 I320 I326 L402Y268-L285 HydrophobicContact CD1-CD2 3.76Å; Y268-L285 HydrophobicContact CD1-CG 4.36Å; Y268-L285 HydrophobicContact CD2-CD2 3.7Å; Y268-L285 HydrophobicContact CE1-CD1 4.2Å; Y268-L285 HydrophobicContact CE1-CD2 3.49Å; Y268-L285 VanDerWaalsContact CE1-CD2 3.49Å; Y268-L285 HydrophobicContact CE1-CG 3.68Å; Y268-L285 HydrophobicContact CE2-CD2 3.39Å; Y268-L285 HydrophobicContact CE2-CG 4.13Å; Y268-L285 HydrophobicContact CG-CD2 3.88Å; Y268-L285 PolarHBondContact OH-N 3.2Å; L282-L285 HydrophobicContact CD2-CD1 3.99Å; L282-L285 WeakPolarHBondContact O-CB 3.28Å; L282-L285 PolarHBondContact O-N 3.4Å; R283-L285 PolarHBondContact O-N 3.05Å; L285-I287 PolarHBondContact O-N 3.38Å; L285-Y317 HydrophobicContact CB-CE2 4.49Å; L285-Y317 WeakPolarHBondContact O-CD2 3.39Å; L285-Y317 WeakPolarHBondContact O-CE2 3.25Å; L285-I320 HydrophobicContact CD1-CG2 4.49Å; L285-I320 HydrophobicContact CD2-CB 4.32Å; L285-I320 HydrophobicContact CD2-CD1 4.19Å; L285-I320 HydrophobicContact CD2-CG2 3.45Å; L285-I320 VanDerWaalsContact CD2-CG2 3.45Å; L285-I326 HydrophobicContact CD1-CD1 4.16Å; L285-L402 HydrophobicContact CB-CD2 3.8Å; L285-L402 HydrophobicContact CD1-CD1 4.01Å
286R86.8Confident85.6Confident31 Ų3133.4 Ų33.412%0.11717%0.167CC..Hα-helixtrans-67.6-19.4178.9-62177.8-163.8-179.37113.2R283 M284 S288 A289 Y290 E401 L402 Y405R283-R286 WeakPolarHBondContact O-CB 3.14Å; R283-R286 WeakPolarHBondContact O-CG 3.31Å; R283-R286 PolarHBondContact O-N 3.39Å; R283-R286 VanDerWaalsContact O-N 3.13Å; M284-R286 PolarHBondContact O-N 3.43Å; R286-S288 PolarHBondContact O-N 2.89Å; R286-A289 WeakPolarHBondContact O-CB 3.4Å; R286-A289 PolarHBondContact O-N 3.26Å; R286-A289 VanDerWaalsContact O-N 3.12Å; R286-Y290 HydrophobicContact CB-CD2 3.74Å; R286-Y290 HydrophobicContact CB-CE2 3.55Å; R286-Y290 HydrophobicContact CG-CE2 4.47Å; R286-Y290 WeakPolarHBondContact O-CD2 3.47Å; R286-Y290 PolarHBondContact O-N 3.37Å; R286-E401 IonicContact CZ-OE2 3.91Å; R286-E401 IonicContact NH1-OE2 3.1Å; R286-E401 PolarHBondContact NH1-OE2 3.3Å; R286-E401 IonicContact NH2-OE2 2.93Å; R286-E401 PolarHBondContact NH2-OE2 3.27Å; R286-L402 HydrophobicContact CG-CD2 3.6Å; R286-Y405 HydrophobicContact CG-CD2 4.43Å
287I87.3Confident85.7Confident12 Ų1227.7 Ų27.76%0.06214%0.137CC..Hα-helixtrans-61.4-45.7-173.4-70.8159000110.9L255 L258 A259 I262 M284 L285 A289 Y290 L291L255-I287 HydrophobicContact CD2-CG1 4.45Å; L255-I287 HydrophobicContact CD2-CG2 4.33Å; L258-I287 HydrophobicContact CD2-CD1 3.31Å; L258-I287 HydrophobicContact CD2-CG1 4.13Å; L258-I287 HydrophobicContact CG-CD1 3.69Å; A259-I287 HydrophobicContact CB-CG2 4.01Å; I262-I287 HydrophobicContact CD1-CD1 3.23Å; I262-I287 HydrophobicContact CD1-CG1 4.45Å; M284-I287 HydrophobicContact CB-CD1 4.15Å; M284-I287 WeakPolarHBondContact O-CB 3.35Å; M284-I287 WeakPolarHBondContact O-CD1 3.39Å; M284-I287 WeakPolarHBondContact O-CG1 3.38Å; M284-I287 PolarHBondContact O-N 3.47Å; M284-I287 HydrophobicContact SD-CD1 3.88Å; L285-I287 PolarHBondContact O-N 3.38Å; I287-A289 VanDerWaalsContact C-N 3.32Å; I287-A289 PolarHBondContact O-N 3.39Å; I287-Y290 PolarHBondContact O-N 2.84Å; I287-L291 HydrophobicContact CG2-CD1 4.02Å; I287-L291 HydrophobicContact CG2-CG 4.49Å; I287-L291 WeakPolarHBondContact O-CB 3.23Å; I287-L291 WeakPolarHBondContact O-CG 3.42Å; I287-L291 PolarHBondContact O-N 3.32Å
288S88.3Confident85.3Confident13 Ų1335.1 Ų35.19%0.09117%0.171CC..Hα-helixtrans-62.6-39.1175.7-44.30000111.8R286 G292 Y313 H316R286-S288 PolarHBondContact O-N 2.89Å; S288-G292 PolarHBondContact O-N 3.38Å; S288-Y313 WeakPolarHBondContact O-CB 3.46Å; S288-H316 PolarHBondContact OG-CD2 3.26Å
289A88.2Confident84.7Confident0 Ų035 Ų350%017%0.172CC..Hα-helixtrans-62.5-47.3173.600000111.8R286 I287 G292 L293 Y317 Y405 V409R286-A289 WeakPolarHBondContact O-CB 3.4Å; R286-A289 PolarHBondContact O-N 3.26Å; R286-A289 VanDerWaalsContact O-N 3.12Å; I287-A289 VanDerWaalsContact C-N 3.32Å; I287-A289 PolarHBondContact O-N 3.39Å; A289-G292 PolarHBondContact O-N 2.98Å; A289-L293 WeakPolarHBondContact O-CB 3.37Å; A289-L293 WeakPolarHBondContact O-CG 3.46Å; A289-L293 PolarHBondContact O-N 3.1Å; A289-Y317 HydrophobicContact CB-CD1 4.06Å; A289-Y317 HydrophobicContact CB-CD2 3.73Å; A289-Y317 HydrophobicContact CB-CE1 4.17Å; A289-Y317 HydrophobicContact CB-CE2 3.85Å; A289-Y317 HydrophobicContact CB-CG 3.82Å; A289-Y405 HydrophobicContact CB-CD1 3.87Å; A289-Y405 HydrophobicContact CB-CG 4.49Å; A289-V409 HydrophobicContact CB-CG2 3.59Å
290Y88.2Confident84.3Confident78 Ų7834.7 Ų34.731%0.30617%0.17SC..Hα-helixtrans-62.3-45.8178.5-77.1-63.9000112.4R286 I287 G292 L293 L294 Y405R286-Y290 HydrophobicContact CB-CD2 3.74Å; R286-Y290 HydrophobicContact CB-CE2 3.55Å; R286-Y290 HydrophobicContact CG-CE2 4.47Å; R286-Y290 WeakPolarHBondContact O-CD2 3.47Å; R286-Y290 PolarHBondContact O-N 3.37Å; I287-Y290 PolarHBondContact O-N 2.84Å; Y290-G292 VanDerWaalsContact C-N 3.34Å; Y290-G292 PolarHBondContact O-N 2.9Å; Y290-L293 PolarHBondContact O-N 3.16Å; Y290-L294 WeakPolarHBondContact O-CB 3.44Å; Y290-L294 VanDerWaalsContact O-CG 3.26Å; Y290-L294 WeakPolarHBondContact O-CG 3.46Å; Y290-L294 PolarHBondContact O-N 3.48Å; Y290-Y405 HydrophobicContact CD1-CE1 4.21Å; Y290-Y405 AromaticContact CE1-CE1 3.86Å; Y290-Y405 HydrophobicContact CE1-CE1 3.86Å; Y290-Y405 AromaticContact CE1-CZ 3.73Å; Y290-Y405 WeakPolarHBondContact CE1-OH 3.26Å; Y290-Y405 AromaticContact CZ-CZ 3.6Å; Y290-Y405 PolarHBondContact OH-OH 3.46Å
291L88.2Confident84.2Confident0 Ų036.2 Ų36.20%017%0.174CC..Hα-helixtrans-57-48.8176.4-82.2171.5000111.4V252 L255 Q256 A259 I287 L294 L295 Y313V252-L291 HydrophobicContact CG1-CD2 4.45Å; L255-L291 HydrophobicContact CB-CD1 4.23Å; L255-L291 HydrophobicContact CB-CD2 3.4Å; L255-L291 HydrophobicContact CB-CG 3.7Å; L255-L291 HydrophobicContact CD1-CD2 4.34Å; L255-L291 HydrophobicContact CD1-CG 4.46Å; Q256-L291 HydrophobicContact CG-CD1 4.34Å; Q256-L291 HydrophobicContact CG-CD2 3.77Å; A259-L291 HydrophobicContact CB-CD1 3.73Å; I287-L291 HydrophobicContact CG2-CD1 4.02Å; I287-L291 HydrophobicContact CG2-CG 4.49Å; I287-L291 WeakPolarHBondContact O-CB 3.23Å; I287-L291 WeakPolarHBondContact O-CG 3.42Å; I287-L291 PolarHBondContact O-N 3.32Å; L291-L294 PolarHBondContact O-N 3.24Å; L291-L295 WeakPolarHBondContact O-CB 3.48Å; L291-L295 WeakPolarHBondContact O-CD1 3.45Å; L291-L295 VanDerWaalsContact O-CG 3.28Å; L291-L295 WeakPolarHBondContact O-CG 3.47Å; L291-L295 PolarHBondContact O-N 2.87Å; L291-Y313 HydrophobicContact CB-CD1 4.16Å; L291-Y313 HydrophobicContact CB-CD2 3.91Å; L291-Y313 HydrophobicContact CB-CE2 4.34Å; L291-Y313 HydrophobicContact CB-CG 3.83Å; L291-Y313 HydrophobicContact CD1-CD1 3.88Å; L291-Y313 HydrophobicContact CD1-CE1 3.62Å; L291-Y313 HydrophobicContact CD1-CE2 4.31Å; L291-Y313 HydrophobicContact CD1-CG 4.35Å
292G87Confident84.2Confident0 Ų038.8 Ų38.80%019%0.188CC..Hα-helixtrans-56.6-53.3176.400000112.2S288 A289 Y290 L294 L295 T296 A310S288-G292 PolarHBondContact O-N 3.38Å; A289-G292 PolarHBondContact O-N 2.98Å; Y290-G292 VanDerWaalsContact C-N 3.34Å; Y290-G292 PolarHBondContact O-N 2.9Å; G292-L294 VanDerWaalsContact C-N 3.32Å; G292-L294 PolarHBondContact O-N 3.27Å; G292-L295 PolarHBondContact O-N 2.93Å; G292-T296 WeakPolarHBondContact O-CG2 3.28Å; G292-T296 PolarHBondContact O-N 2.85Å; G292-T296 VanDerWaalsContact O-N 3.08Å; G292-A310 WeakPolarHBondContact O-CB 3.43Å
293L87.8Confident84.1Confident24 Ų2441 Ų4113%0.12620%0.197CC..Hα-helixtrans-64.1-32.3-179.4-65.6174.9000113.3A289 Y290 T296 L314 Y405 E412A289-L293 WeakPolarHBondContact O-CB 3.37Å; A289-L293 WeakPolarHBondContact O-CG 3.46Å; A289-L293 PolarHBondContact O-N 3.1Å; Y290-L293 PolarHBondContact O-N 3.16Å; L293-T296 PolarHBondContact O-OG1 2.89Å; L293-L314 HydrophobicContact CD2-CD2 4.25Å; L293-L314 HydrophobicContact CG-CD2 4.34Å; L293-Y405 HydrophobicContact CD1-CD1 4.26Å; L293-Y405 HydrophobicContact CD1-CE1 4.14Å; L293-E412 HydrophobicContact CD2-CB 3.74Å; L293-E412 HydrophobicContact CD2-CG 3.68Å
294L86.3Confident84.2Confident8 Ų837.9 Ų37.94%0.04219%0.189CC..Hα-helixtrans-72.4-40.6176.2-77.4169.6000111.3L238 M243 V251 V252 L255 Y290 L291 G292 T296 N297L238-L294 HydrophobicContact CD1-CD2 4.07Å; M243-L294 HydrophobicContact SD-CD2 4.34Å; V251-L294 HydrophobicContact CG1-CD1 3.75Å; V252-L294 HydrophobicContact CG2-CB 4.11Å; L255-L294 HydrophobicContact CD1-CD1 3.64Å; Y290-L294 WeakPolarHBondContact O-CB 3.44Å; Y290-L294 VanDerWaalsContact O-CG 3.26Å; Y290-L294 WeakPolarHBondContact O-CG 3.46Å; Y290-L294 PolarHBondContact O-N 3.48Å; L291-L294 PolarHBondContact O-N 3.24Å; G292-L294 VanDerWaalsContact C-N 3.32Å; G292-L294 PolarHBondContact O-N 3.27Å; L294-T296 VanDerWaalsContact C-N 3.26Å; L294-T296 PolarHBondContact O-N 3.22Å; L294-N297 WeakPolarHBondContact O-CB 3.4Å; L294-N297 PolarHBondContact O-N 3.45Å; L294-N297 VanDerWaalsContact O-N 3.15Å
295L87.7Confident84.4Confident0 Ų038.7 Ų38.70%019%0.192CC..Hα-helixtrans-72.8-18.4179.1-71.3167.5000112.7V252 L291 G292 N297 L300 R303 C306 K309 A310 Y313V252-L295 HydrophobicContact CG1-CD2 3.93Å; V252-L295 HydrophobicContact CG1-CG 4.46Å; V252-L295 HydrophobicContact CG2-CD2 4.15Å; V252-L295 HydrophobicContact CG2-CG 4.37Å; L291-L295 WeakPolarHBondContact O-CB 3.48Å; L291-L295 WeakPolarHBondContact O-CD1 3.45Å; L291-L295 VanDerWaalsContact O-CG 3.28Å; L291-L295 WeakPolarHBondContact O-CG 3.47Å; L291-L295 PolarHBondContact O-N 2.87Å; G292-L295 PolarHBondContact O-N 2.93Å; L295-N297 PolarHBondContact O-N 2.94Å; L295-L300 HydrophobicContact CD2-CD1 4.39Å; L295-R303 PolarHBondContact O-NH1 3.16Å; L295-C306 HydrophobicContact CD2-CB 4.48Å; L295-K309 HydrophobicContact CD1-CB 3.79Å; L295-A310 HydrophobicContact CB-CB 3.63Å; L295-Y313 HydrophobicContact CD1-CD2 3.69Å; L295-Y313 HydrophobicContact CD1-CE2 3.87Å
296T85.1Confident84.6Confident7 Ų738.6 Ų38.64%0.04319%0.192CC..THydrogen-bonded Turntrans-76.31.7168.965.10000114G292 L293 L294 E298 R303 L307 A310 L314 E412 A416G292-T296 WeakPolarHBondContact O-CG2 3.28Å; G292-T296 PolarHBondContact O-N 2.85Å; G292-T296 VanDerWaalsContact O-N 3.08Å; L293-T296 PolarHBondContact O-OG1 2.89Å; L294-T296 VanDerWaalsContact C-N 3.26Å; L294-T296 PolarHBondContact O-N 3.22Å; T296-E298 PolarHBondContact O-N 2.89Å; T296-R303 PolarHBondContact O-NH1 3.37Å; T296-R303 PolarHBondContact O-NH2 3.32Å; T296-L307 HydrophobicContact CG2-CD2 4.3Å; T296-A310 HydrophobicContact CG2-CB 3.7Å; T296-L314 HydrophobicContact CG2-CD1 4.17Å; T296-E412 WeakPolarHBondContact CB-OE1 3.24Å; T296-E412 HydrophobicContact CG2-CG 3.86Å; T296-E412 PolarHBondContact OG1-OE1 2.88Å; T296-A416 HydrophobicContact CG2-CB 3.9Å
297N81.9Confident84.7Confident2 Ų237.1 Ų37.11%0.01119%0.186CC..  trans-58.9127.1172.8-167.6-14.6000113.3P240 C248 L294 L295 A299 L300 R303P240-N297 WeakPolarHBondContact CA-ND2 3.37Å; P240-N297 HydrophobicContact CB-CB 3.27Å; P240-N297 WeakPolarHBondContact CB-ND2 3.31Å; P240-N297 WeakPolarHBondContact CB-OD1 3.46Å; P240-N297 HydrophobicContact CG-CB 4.19Å; P240-N297 PolarHBondContact O-ND2 2.85Å; P240-N297 PolarHBondContact O-OD1 3.47Å; C248-N297 PolarHBondContact SG-ND2 3.32Å; C248-N297 VanDerWaalsContact SG-ND2 3.36Å; L294-N297 WeakPolarHBondContact O-CB 3.4Å; L294-N297 PolarHBondContact O-N 3.45Å; L294-N297 VanDerWaalsContact O-N 3.15Å; L295-N297 PolarHBondContact O-N 2.94Å; N297-A299 PolarHBondContact O-N 2.88Å; N297-A299 VanDerWaalsContact OD1-CB 3.25Å; N297-A299 WeakPolarHBondContact OD1-CB 3.39Å; N297-A299 PolarHBondContact OD1-N 3.06Å; N297-L300 HydrophobicContact CB-CD1 3.97Å; N297-L300 HydrophobicContact CB-CG 4.01Å; N297-R303 PolarHBondContact O-NH1 3.2Å
298E75.2Confident84.9Confident162 Ų16241.2 Ų41.276%0.75721%0.205SC*.THydrogen-bonded Turntrans-67.7-21.4174.9-65-174.7171.700113.7T296 L300T296-E298 PolarHBondContact O-N 2.89Å; E298-L300 VanDerWaalsContact C-N 3.28Å; E298-L300 PolarHBondContact O-N 3.29Å
299A72Confident85.1Confident46 Ų4643.7 Ų43.738%0.3821%0.214SC..THydrogen-bonded Turntrans-78-6.8-178.800000114.4N297N297-A299 PolarHBondContact O-N 2.88Å; N297-A299 VanDerWaalsContact OD1-CB 3.25Å; N297-A299 WeakPolarHBondContact OD1-CB 3.39Å; N297-A299 PolarHBondContact OD1-N 3.06Å
300L76Confident85.2Confident8 Ų843.7 Ų43.74%0.04221%0.214CC..SBendtrans-82133.4178.7-67.2171.4000111E245 C248 L295 N297 E298 C306E245-L300 HydrophobicContact CG-CD2 4.3Å; C248-L300 HydrophobicContact CB-CD2 3.74Å; L295-L300 HydrophobicContact CD2-CD1 4.39Å; N297-L300 HydrophobicContact CB-CD1 3.97Å; N297-L300 HydrophobicContact CB-CG 4.01Å; E298-L300 VanDerWaalsContact C-N 3.28Å; E298-L300 PolarHBondContact O-N 3.29Å; L300-C306 HydrophobicContact CD1-CB 4.45Å
301E77.2Confident85.4Confident127 Ų12740.6 Ų40.659%0.59320%0.203SC*.SBendtrans-61.8163164.8-70.7180177.700111.2E245 R303 C306E245-E301 WeakPolarHBondContact OE1-CB 3.4Å; E245-E301 WeakPolarHBondContact OE1-CG 3.41Å; E245-E301 PolarHBondContact OE1-N 3.42Å; E301-R303 PolarHBondContact O-N 2.84Å; E301-C306 PolarHBondContact O-SG 3.38Å; E301-C306 VanDerWaalsContact O-SG 3.38Å
302N83.6Confident85.7Confident110 Ų11044.9 Ų44.959%0.58823%0.226SC*.SBendtrans55.747.3-177.8-56.3-43.7000113.4V304 E305 C306N302-V304 PolarHBondContact O-N 2.85Å; N302-E305 HydrophobicContact CB-CB 4.4Å; N302-E305 PolarHBondContact O-N 3.32Å; N302-C306 PolarHBondContact O-N 3.05Å
303R84.1Confident85.9Confident47 Ų4747.2 Ų47.218%0.17724%0.235CC..Hα-helixtrans-47-40.5-174.7-170.964.3175.1141.6-5114.4L295 T296 N297 E301 C306 L307 L423L295-R303 PolarHBondContact O-NH1 3.16Å; T296-R303 PolarHBondContact O-NH1 3.37Å; T296-R303 PolarHBondContact O-NH2 3.32Å; N297-R303 PolarHBondContact O-NH1 3.2Å; E301-R303 PolarHBondContact O-N 2.84Å; R303-C306 PolarHBondContact O-N 3.48Å; R303-L307 HydrophobicContact CG-CD1 3.91Å; R303-L307 HydrophobicContact CG-CG 4.45Å; R303-L307 VanDerWaalsContact O-CB 3.32Å; R303-L307 WeakPolarHBondContact O-CB 3.3Å; R303-L307 VanDerWaalsContact O-CG 3.25Å; R303-L307 WeakPolarHBondContact O-CG 3.35Å; R303-L307 PolarHBondContact O-N 3.42Å; R303-L423 HydrophobicContact CB-CD1 4.16Å; R303-L423 HydrophobicContact CG-CD1 3.45Å; R303-L423 VanDerWaalsContact CG-CD1 3.45Å
304V86.1Confident86.2Confident40 Ų4046 Ų4624%0.24223%0.229CC..Hα-helixtrans-62.9-49.2179178.60000111.3N302 L307 E308 Y420 L423N302-V304 PolarHBondContact O-N 2.85Å; V304-L307 PolarHBondContact O-N 2.94Å; V304-E308 PolarHBondContact O-N 3.4Å; V304-Y420 HydrophobicContact CG1-CD2 4.33Å; V304-Y420 HydrophobicContact CG1-CE2 3.74Å; V304-L423 HydrophobicContact CG2-CB 4.02Å; V304-L423 HydrophobicContact CG2-CD1 4.44Å
305E89.5Confident86.5Confident94 Ų9446.9 Ų46.944%0.43923%0.232SC..Hα-helixtrans-66.6-39.9178.8-170.7-172.3160.800111.4N302 E308 K309N302-E305 HydrophobicContact CB-CB 4.4Å; N302-E305 PolarHBondContact O-N 3.32Å; E305-E308 PolarHBondContact O-N 2.97Å; E305-K309 PolarHBondContact O-N 3.17Å; E305-K309 VanDerWaalsContact O-N 3.13Å; E305-K309 WeakPolarHBondContact OE1-CE 3.44Å; E305-K309 IonicContact OE1-NZ 2.63Å; E305-K309 PolarHBondContact OE1-NZ 3.2Å
306C89.7Confident86.7Confident2 Ų250 Ų501%0.01425%0.247CC..Hα-helixtrans-61.9-45.1175.9-70.30000111.5L295 L300 E301 N302 R303 K309 A310L295-C306 HydrophobicContact CD2-CB 4.48Å; L300-C306 HydrophobicContact CD1-CB 4.45Å; E301-C306 PolarHBondContact O-SG 3.38Å; E301-C306 VanDerWaalsContact O-SG 3.38Å; N302-C306 PolarHBondContact O-N 3.05Å; R303-C306 PolarHBondContact O-N 3.48Å; C306-K309 PolarHBondContact O-N 3.29Å; C306-A310 WeakPolarHBondContact O-CB 3.5Å; C306-A310 PolarHBondContact O-N 3.04Å
307L89.6Confident87Confident0 Ų049.8 Ų49.80%025%0.245CC..Hα-helixtrans-67.2-37.1178.2-76.8170000112.8T296 R303 V304 A310 I311 A416 V419 Y420 L423T296-L307 HydrophobicContact CG2-CD2 4.3Å; R303-L307 HydrophobicContact CG-CD1 3.91Å; R303-L307 HydrophobicContact CG-CG 4.45Å; R303-L307 VanDerWaalsContact O-CB 3.32Å; R303-L307 WeakPolarHBondContact O-CB 3.3Å; R303-L307 VanDerWaalsContact O-CG 3.25Å; R303-L307 WeakPolarHBondContact O-CG 3.35Å; R303-L307 PolarHBondContact O-N 3.42Å; V304-L307 PolarHBondContact O-N 2.94Å; L307-A310 WeakPolarHBondContact O-CB 3.36Å; L307-A310 PolarHBondContact O-N 3.2Å; L307-I311 WeakPolarHBondContact O-CB 3.47Å; L307-I311 WeakPolarHBondContact O-CD1 3.34Å; L307-I311 WeakPolarHBondContact O-CG1 3.38Å; L307-I311 PolarHBondContact O-N 3.16Å; L307-A416 HydrophobicContact CD2-CB 4.11Å; L307-V419 HydrophobicContact CD1-CB 4.29Å; L307-V419 HydrophobicContact CD1-CG1 3.67Å; L307-Y420 HydrophobicContact CB-CD2 3.92Å; L307-L423 HydrophobicContact CD1-CD1 3.55Å
308E91.2Very high87.6Confident97 Ų9749.7 Ų49.745%0.45325%0.245SC..Hα-helixtrans-58.6-51.2174.4-171.1172-17800110.7V304 E305 A310 I311 D312 Y420V304-E308 PolarHBondContact O-N 3.4Å; E305-E308 PolarHBondContact O-N 2.97Å; E308-A310 VanDerWaalsContact C-N 3.33Å; E308-A310 PolarHBondContact O-N 3.11Å; E308-I311 PolarHBondContact O-N 3.09Å; E308-D312 PolarHBondContact O-N 2.86Å; E308-D312 VanDerWaalsContact O-N 3.16Å; E308-Y420 HydrophobicContact CB-CE2 3.9Å
309K91.9Very high88.4Confident65 Ų6545.3 Ų45.328%0.28323%0.229SC..Hα-helixtrans-62.4-39.8174.8-67.8176.7-172.2165.70112.1L295 E305 C306 D312 Y313L295-K309 HydrophobicContact CD1-CB 3.79Å; E305-K309 PolarHBondContact O-N 3.17Å; E305-K309 VanDerWaalsContact O-N 3.13Å; E305-K309 WeakPolarHBondContact OE1-CE 3.44Å; E305-K309 IonicContact OE1-NZ 2.63Å; E305-K309 PolarHBondContact OE1-NZ 3.2Å; C306-K309 PolarHBondContact O-N 3.29Å; K309-D312 PolarHBondContact O-N 2.93Å; K309-Y313 HydrophobicContact CB-CE2 4.44Å; K309-Y313 WeakPolarHBondContact O-CD2 3.3Å; K309-Y313 PolarHBondContact O-N 3.38Å
310A91.6Very high89.3Confident0 Ų043.8 Ų43.80%021%0.214CC..Hα-helixtrans-59.3-48.4177.800000111G292 L295 T296 C306 L307 E308 D312 Y313 L314G292-A310 WeakPolarHBondContact O-CB 3.43Å; L295-A310 HydrophobicContact CB-CB 3.63Å; T296-A310 HydrophobicContact CG2-CB 3.7Å; C306-A310 WeakPolarHBondContact O-CB 3.5Å; C306-A310 PolarHBondContact O-N 3.04Å; L307-A310 WeakPolarHBondContact O-CB 3.36Å; L307-A310 PolarHBondContact O-N 3.2Å; E308-A310 VanDerWaalsContact C-N 3.33Å; E308-A310 PolarHBondContact O-N 3.11Å; A310-D312 VanDerWaalsContact C-N 3.28Å; A310-D312 PolarHBondContact O-N 2.89Å; A310-Y313 PolarHBondContact O-N 3.23Å; A310-L314 WeakPolarHBondContact O-CB 3.46Å; A310-L314 WeakPolarHBondContact O-CG 3.42Å; A310-L314 PolarHBondContact O-N 3.16Å
311I92.5Very high90Very high13 Ų1343.4 Ų43.47%0.06721%0.212CC..Hα-helixtrans-56.6-44.4178.3-72.9164.6000110.3L307 E308 L314 K315 L413 A416 K417 Y420L307-I311 WeakPolarHBondContact O-CB 3.47Å; L307-I311 WeakPolarHBondContact O-CD1 3.34Å; L307-I311 WeakPolarHBondContact O-CG1 3.38Å; L307-I311 PolarHBondContact O-N 3.16Å; E308-I311 PolarHBondContact O-N 3.09Å; I311-L314 PolarHBondContact O-N 3.18Å; I311-K315 HydrophobicContact CG2-CD 3.93Å; I311-K315 HydrophobicContact CG2-CG 4.35Å; I311-K315 VanDerWaalsContact O-CB 3.3Å; I311-K315 WeakPolarHBondContact O-CB 3.3Å; I311-K315 VanDerWaalsContact O-CG 3.26Å; I311-K315 WeakPolarHBondContact O-CG 3.42Å; I311-K315 PolarHBondContact O-N 2.99Å; I311-L413 HydrophobicContact CB-CD1 4.35Å; I311-L413 HydrophobicContact CG1-CD1 4.32Å; I311-L413 HydrophobicContact CG2-CD1 4.03Å; I311-A416 HydrophobicContact CG1-CB 4.02Å; I311-K417 HydrophobicContact CD1-CG 4.21Å; I311-K417 HydrophobicContact CG1-CG 4.36Å; I311-Y420 HydrophobicContact CD1-CD1 4.3Å; I311-Y420 HydrophobicContact CD1-CD2 4.45Å; I311-Y420 HydrophobicContact CD1-CG 3.96Å
312D92.7Very high90.7Very high90 Ų9041.3 Ų41.348%0.48120%0.201SC..Hα-helixtrans-62.5-48178.7-71.4-17.9000112.4E308 K309 A310 K315 H316E308-D312 PolarHBondContact O-N 2.86Å; E308-D312 VanDerWaalsContact O-N 3.16Å; K309-D312 PolarHBondContact O-N 2.93Å; A310-D312 VanDerWaalsContact C-N 3.28Å; A310-D312 PolarHBondContact O-N 2.89Å; D312-K315 PolarHBondContact O-N 3.37Å; D312-H316 VanDerWaalsContact O-CB 3.25Å; D312-H316 WeakPolarHBondContact O-CB 3.49Å; D312-H316 PolarHBondContact O-N 3.11Å
313Y92.5Very high90.9Very high49 Ų4940 Ų4019%0.19219%0.19CC..Hα-helixtrans-65.4-40.1178.7-75.2-60.9000112.9Q256 A259 S288 L291 L295 K309 A310 H316 Y317Q256-Y313 HydrophobicContact CG-CE2 4.49Å; A259-Y313 HydrophobicContact CB-CE1 4.44Å; S288-Y313 WeakPolarHBondContact O-CB 3.46Å; L291-Y313 HydrophobicContact CB-CD1 4.16Å; L291-Y313 HydrophobicContact CB-CD2 3.91Å; L291-Y313 HydrophobicContact CB-CE2 4.34Å; L291-Y313 HydrophobicContact CB-CG 3.83Å; L291-Y313 HydrophobicContact CD1-CD1 3.88Å; L291-Y313 HydrophobicContact CD1-CE1 3.62Å; L291-Y313 HydrophobicContact CD1-CE2 4.31Å; L291-Y313 HydrophobicContact CD1-CG 4.35Å; L295-Y313 HydrophobicContact CD1-CD2 3.69Å; L295-Y313 HydrophobicContact CD1-CE2 3.87Å; K309-Y313 HydrophobicContact CB-CE2 4.44Å; K309-Y313 WeakPolarHBondContact O-CD2 3.3Å; K309-Y313 PolarHBondContact O-N 3.38Å; A310-Y313 PolarHBondContact O-N 3.23Å; Y313-H316 PolarHBondContact O-N 3.13Å; Y313-Y317 PolarHBondContact O-N 2.97Å
314L93Very high91.2Very high0 Ų038.5 Ų38.50%019%0.185CC..Hα-helixtrans-66.3-43.5176.6-66.1173.6000111.2L293 T296 A310 I311 Y317 L318 V409 E412 L413 A416L293-L314 HydrophobicContact CD2-CD2 4.25Å; L293-L314 HydrophobicContact CG-CD2 4.34Å; T296-L314 HydrophobicContact CG2-CD1 4.17Å; A310-L314 WeakPolarHBondContact O-CB 3.46Å; A310-L314 WeakPolarHBondContact O-CG 3.42Å; A310-L314 PolarHBondContact O-N 3.16Å; I311-L314 PolarHBondContact O-N 3.18Å; L314-Y317 PolarHBondContact O-N 2.96Å; L314-L318 WeakPolarHBondContact O-CG 3.49Å; L314-L318 PolarHBondContact O-N 2.85Å; L314-L318 VanDerWaalsContact O-N 3.09Å; L314-V409 HydrophobicContact CB-CG1 3.84Å; L314-V409 HydrophobicContact CD2-CB 4.12Å; L314-V409 HydrophobicContact CD2-CG1 3.61Å; L314-V409 HydrophobicContact CD2-CG2 3.84Å; L314-V409 HydrophobicContact CG-CG1 4.27Å; L314-E412 HydrophobicContact CD1-CB 4.41Å; L314-E412 HydrophobicContact CD1-CG 4.25Å; L314-L413 HydrophobicContact CB-CB 4.17Å; L314-L413 HydrophobicContact CB-CD1 4.07Å; L314-L413 HydrophobicContact CD1-CB 4.21Å; L314-A416 HydrophobicContact CD1-CB 4.46Å
315K93.6Very high91.4Very high26 Ų2642.3 Ų42.311%0.11320%0.204CC..Hα-helixtrans-61.4-45.4173.9-79.7176.7178171.90111.6I311 D312 Y317 L318 T319 L336 D338 L413I311-K315 HydrophobicContact CG2-CD 3.93Å; I311-K315 HydrophobicContact CG2-CG 4.35Å; I311-K315 VanDerWaalsContact O-CB 3.3Å; I311-K315 WeakPolarHBondContact O-CB 3.3Å; I311-K315 VanDerWaalsContact O-CG 3.26Å; I311-K315 WeakPolarHBondContact O-CG 3.42Å; I311-K315 PolarHBondContact O-N 2.99Å; D312-K315 PolarHBondContact O-N 3.37Å; K315-Y317 VanDerWaalsContact C-N 3.35Å; K315-Y317 PolarHBondContact O-N 3Å; K315-L318 PolarHBondContact O-N 3.14Å; K315-T319 WeakPolarHBondContact O-CB 3.42Å; K315-T319 PolarHBondContact O-N 3.25Å; K315-T319 PolarHBondContact O-OG1 3.41Å; K315-L336 HydrophobicContact CB-CD2 4Å; K315-L336 HydrophobicContact CG-CD2 4.07Å; K315-L336 WeakPolarHBondContact O-CD2 3.46Å; K315-D338 IonicContact NZ-OD1 3.83Å; K315-D338 PolarHBondContact NZ-OD1 2.75Å; K315-L413 HydrophobicContact CG-CD1 4.07Å; K315-L413 HydrophobicContact CG-CD2 4Å
316H91.5Very high91.5Very high66 Ų6638.2 Ų38.231%0.30619%0.185SC..Hα-helixtrans-59.4-47.1179-179.688.7000110.9D263 S288 D312 Y313 L318 T319 I320D263-H316 IonicContact OD1-CE1 2.64Å; D263-H316 IonicContact OD1-NE2 2.88Å; S288-H316 PolarHBondContact OG-CD2 3.26Å; D312-H316 VanDerWaalsContact O-CB 3.25Å; D312-H316 WeakPolarHBondContact O-CB 3.49Å; D312-H316 PolarHBondContact O-N 3.11Å; Y313-H316 PolarHBondContact O-N 3.13Å; H316-L318 PolarHBondContact O-N 3.17Å; H316-T319 WeakPolarHBondContact O-CB 3.48Å; H316-T319 PolarHBondContact O-N 3.19Å; H316-I320 WeakPolarHBondContact NE2-CD1 3.25Å; H316-I320 PolarHBondContact O-N 3.29Å
317Y92.5Very high91.6Very high2 Ų238.7 Ų38.71%0.00819%0.187CC..Hα-helixtrans-55.2-53.6174.6-179.4-103.3000112.3L285 A289 Y313 L314 K315 T319 I320 M321 L402 Y405 V409L285-Y317 HydrophobicContact CB-CE2 4.49Å; L285-Y317 WeakPolarHBondContact O-CD2 3.39Å; L285-Y317 WeakPolarHBondContact O-CE2 3.25Å; A289-Y317 HydrophobicContact CB-CD1 4.06Å; A289-Y317 HydrophobicContact CB-CD2 3.73Å; A289-Y317 HydrophobicContact CB-CE1 4.17Å; A289-Y317 HydrophobicContact CB-CE2 3.85Å; A289-Y317 HydrophobicContact CB-CG 3.82Å; Y313-Y317 PolarHBondContact O-N 2.97Å; L314-Y317 PolarHBondContact O-N 2.96Å; K315-Y317 VanDerWaalsContact C-N 3.35Å; K315-Y317 PolarHBondContact O-N 3Å; Y317-T319 VanDerWaalsContact C-N 3.27Å; Y317-T319 PolarHBondContact O-N 2.9Å; Y317-I320 PolarHBondContact O-N 3.23Å; Y317-M321 HydrophobicContact CD1-CG 4Å; Y317-M321 HydrophobicContact CD2-CG 4.25Å; Y317-M321 HydrophobicContact CE1-CG 3.67Å; Y317-M321 HydrophobicContact CE1-SD 4.38Å; Y317-M321 HydrophobicContact CE2-CG 3.93Å; Y317-M321 HydrophobicContact CE2-SD 4.09Å; Y317-M321 HydrophobicContact CG-CG 4.3Å; Y317-M321 WeakPolarHBondContact O-CB 3.49Å; Y317-M321 WeakPolarHBondContact O-CG 3.49Å; Y317-M321 PolarHBondContact O-N 3.46Å; Y317-L402 HydrophobicContact CE2-CD2 4.38Å; Y317-L402 WeakPolarHBondContact OH-CA 3.45Å; Y317-L402 PolarHBondContact OH-O 3.48Å; Y317-Y405 VanDerWaalsContact OH-CB 3.22Å; Y317-Y405 WeakPolarHBondContact OH-CB 3.47Å; Y317-V409 HydrophobicContact CD1-CB 3.96Å; Y317-V409 HydrophobicContact CD1-CG1 3.85Å; Y317-V409 HydrophobicContact CD1-CG2 3.77Å; Y317-V409 HydrophobicContact CE1-CB 4.33Å; Y317-V409 HydrophobicContact CE1-CG2 4.04Å
318L93.9Very high91.5Very high0 Ų042 Ų420%021%0.205CC..Hα-helixtrans-63.6-33.4-179.3-69.4178.2000112.7L314 K315 H316 M321 K322 F327 I332 L336 V409 L410 L413L314-L318 WeakPolarHBondContact O-CG 3.49Å; L314-L318 PolarHBondContact O-N 2.85Å; L314-L318 VanDerWaalsContact O-N 3.09Å; K315-L318 PolarHBondContact O-N 3.14Å; H316-L318 PolarHBondContact O-N 3.17Å; L318-M321 PolarHBondContact O-N 3.29Å; L318-K322 VanDerWaalsContact O-CB 3.29Å; L318-K322 WeakPolarHBondContact O-CB 3.13Å; L318-K322 PolarHBondContact O-N 3.44Å; L318-F327 HydrophobicContact CD2-CD1 4.17Å; L318-F327 HydrophobicContact CD2-CE1 4.22Å; L318-I332 HydrophobicContact CB-CG2 4.09Å; L318-I332 HydrophobicContact CD2-CG1 4.46Å; L318-L336 HydrophobicContact CB-CD2 4.05Å; L318-V409 HydrophobicContact CD1-CG1 4.03Å; L318-V409 HydrophobicContact CD2-CB 4.34Å; L318-V409 HydrophobicContact CD2-CG1 3.93Å; L318-V409 HydrophobicContact CG-CG1 3.65Å; L318-L410 HydrophobicContact CD1-CD1 4.14Å; L318-L413 HydrophobicContact CD1-CD2 3.67Å
319T91.9Very high91.4Very high70 Ų7038.3 Ų38.343%0.42919%0.188SC..Hα-helixtrans-63.4-48.4176.7-60.20000110.8K315 H316 Y317 K322 K323K315-T319 WeakPolarHBondContact O-CB 3.42Å; K315-T319 PolarHBondContact O-N 3.25Å; K315-T319 PolarHBondContact O-OG1 3.41Å; H316-T319 WeakPolarHBondContact O-CB 3.48Å; H316-T319 PolarHBondContact O-N 3.19Å; Y317-T319 VanDerWaalsContact C-N 3.27Å; Y317-T319 PolarHBondContact O-N 2.9Å; T319-K322 PolarHBondContact O-N 2.88Å; T319-K323 WeakPolarHBondContact O-CB 3.44Å; T319-K323 PolarHBondContact O-N 2.62Å
320I89.9Confident91.1Very high14 Ų1437.4 Ų37.47%0.07219%0.189CC..Hα-helixtrans-65.1-42.7177.2-63.9170.1000111Y268 L285 H316 Y317 K322 K323 F324Y268-I320 HydrophobicContact CD2-CD1 4.2Å; Y268-I320 HydrophobicContact CG-CG2 4.41Å; L285-I320 HydrophobicContact CD1-CG2 4.49Å; L285-I320 HydrophobicContact CD2-CB 4.32Å; L285-I320 HydrophobicContact CD2-CD1 4.19Å; L285-I320 HydrophobicContact CD2-CG2 3.45Å; L285-I320 VanDerWaalsContact CD2-CG2 3.45Å; H316-I320 WeakPolarHBondContact NE2-CD1 3.25Å; H316-I320 PolarHBondContact O-N 3.29Å; Y317-I320 PolarHBondContact O-N 3.23Å; I320-K322 VanDerWaalsContact C-N 3.32Å; I320-K322 PolarHBondContact O-N 3.47Å; I320-K323 WeakPolarHBondContact O-CB 3.37Å; I320-K323 PolarHBondContact O-N 3.13Å; I320-F324 HydrophobicContact CG2-CD2 3.49Å; I320-F324 VanDerWaalsContact CG2-CD2 3.49Å; I320-F324 HydrophobicContact CG2-CE2 3.55Å; I320-F324 WeakPolarHBondContact O-CD2 3.15Å; I320-F324 PolarHBondContact O-N 2.87Å
321M92.3Very high90.8Very high0 Ų038.5 Ų38.50%020%0.195CC..Hα-helixtrans-61.7-39.1179.6-71.8-67.7-68.200112.9Y317 L318 N325 I326 F327 L402Y317-M321 HydrophobicContact CD1-CG 4Å; Y317-M321 HydrophobicContact CD2-CG 4.25Å; Y317-M321 HydrophobicContact CE1-CG 3.67Å; Y317-M321 HydrophobicContact CE1-SD 4.38Å; Y317-M321 HydrophobicContact CE2-CG 3.93Å; Y317-M321 HydrophobicContact CE2-SD 4.09Å; Y317-M321 HydrophobicContact CG-CG 4.3Å; Y317-M321 WeakPolarHBondContact O-CB 3.49Å; Y317-M321 WeakPolarHBondContact O-CG 3.49Å; Y317-M321 PolarHBondContact O-N 3.46Å; L318-M321 PolarHBondContact O-N 3.29Å; M321-N325 PolarHBondContact O-N 2.9Å; M321-I326 HydrophobicContact CE-CB 3.73Å; M321-I326 HydrophobicContact CE-CG2 3.33Å; M321-I326 PolarHBondContact O-N 2.83Å; M321-I326 HydrophobicContact SD-CB 4.06Å; M321-I326 HydrophobicContact SD-CD1 4.05Å; M321-I326 HydrophobicContact SD-CG2 4.02Å; M321-F327 HydrophobicContact CB-CB 4.2Å; M321-F327 HydrophobicContact CE-CB 3.61Å; M321-F327 PolarHBondContact O-N 3.03Å; M321-L402 VanDerWaalsContact CE-C 3.47Å; M321-L402 HydrophobicContact CE-CB 3.69Å; M321-L402 VanDerWaalsContact CE-O 3.27Å; M321-L402 WeakPolarHBondContact CE-O 3.27Å; M321-L402 HydrophobicContact SD-CB 3.98Å
322K91.5Very high90.6Very high82 Ų8237.9 Ų37.936%0.35719%0.192SC..Hα-helixtrans-69.6-43.6173.8-175.2178176-177.20111.3L318 T319 I320 F324 N325 N328 I332 S333L318-K322 VanDerWaalsContact O-CB 3.29Å; L318-K322 WeakPolarHBondContact O-CB 3.13Å; L318-K322 PolarHBondContact O-N 3.44Å; T319-K322 PolarHBondContact O-N 2.88Å; I320-K322 VanDerWaalsContact C-N 3.32Å; I320-K322 PolarHBondContact O-N 3.47Å; K322-F324 PolarHBondContact O-N 3.24Å; K322-N325 PolarHBondContact O-N 3.03Å; K322-N328 WeakPolarHBondContact CA-OD1 3.42Å; K322-N328 PolarHBondContact O-OD1 3.22Å; K322-I332 HydrophobicContact CD-CG2 4.26Å; K322-S333 PolarHBondContact NZ-OG 2.92Å
323K88.2Confident90.3Very high83 Ų8336 Ų3636%0.36119%0.185SC..Hα-helixtrans-55.7-48177.4172.3-179.7170176.70112.2Y268 D269 D270 T319 I320 N325Y268-K323 PolarHBondContact O-NZ 3.19Å; D269-K323 PolarHBondContact O-NZ 3.3Å; D270-K323 VanDerWaalsContact N-NZ 3.15Å; D270-K323 IonicContact OD1-NZ 2.68Å; D270-K323 PolarHBondContact OD1-NZ 3.19Å; T319-K323 WeakPolarHBondContact O-CB 3.44Å; T319-K323 PolarHBondContact O-N 2.62Å; I320-K323 WeakPolarHBondContact O-CB 3.37Å; I320-K323 PolarHBondContact O-N 3.13Å; K323-N325 PolarHBondContact O-N 2.77Å
324F88.9Confident90Very high15 Ų1537.5 Ų37.57%0.06620%0.201CC..THydrogen-bonded Turntrans-82.16.5178-71.3-59.9000114Y268 L274 I320 K322 I326Y268-F324 AromaticContact CD1-CE2 3.72Å; Y268-F324 HydrophobicContact CD1-CE2 3.72Å; Y268-F324 HydrophobicContact CD1-CZ 4.12Å; Y268-F324 HydrophobicContact CG-CE2 4.14Å; L274-F324 HydrophobicContact CB-CB 4.46Å; L274-F324 HydrophobicContact CB-CD1 3.9Å; L274-F324 HydrophobicContact CB-CG 4.48Å; L274-F324 HydrophobicContact CD1-CB 4.09Å; L274-F324 HydrophobicContact CD1-CD1 4.25Å; L274-F324 HydrophobicContact CD1-CG 4.15Å; I320-F324 HydrophobicContact CG2-CD2 3.49Å; I320-F324 VanDerWaalsContact CG2-CD2 3.49Å; I320-F324 HydrophobicContact CG2-CE2 3.55Å; I320-F324 WeakPolarHBondContact O-CD2 3.15Å; I320-F324 PolarHBondContact O-N 2.87Å; K322-F324 PolarHBondContact O-N 3.24Å; F324-I326 HydrophobicContact CB-CD1 3.78Å; F324-I326 HydrophobicContact CB-CG1 3.71Å; F324-I326 PolarHBondContact O-N 3.09Å; F324-I326 VanDerWaalsContact O-N 3.1Å
325N89.9Confident89.7Confident121 Ų12139 Ų3965%0.64721%0.209SC*.THydrogen-bonded Turntrans56.426.6-179.2-16335.4000112.7M321 K322 K323 N328M321-N325 PolarHBondContact O-N 2.9Å; K322-N325 PolarHBondContact O-N 3.03Å; K323-N325 PolarHBondContact O-N 2.77Å; N325-N328 WeakPolarHBondContact CA-ND2 3.4Å; N325-N328 PolarHBondContact O-ND2 3Å; N325-N328 PolarHBondContact OD1-ND2 3.39Å
326I91.8Very high89.3Confident7 Ų739.6 Ų39.64%0.03621%0.213CC..SBendtrans-77.6-43179.8-57.9172.4000109.2L274 L285 M321 F324 L399 L402 R403L274-I326 HydrophobicContact CD1-CD1 3.88Å; L274-I326 HydrophobicContact CD1-CG1 4.26Å; L274-I326 HydrophobicContact CD2-CD1 4.49Å; L274-I326 HydrophobicContact CD2-CG1 3.98Å; L285-I326 HydrophobicContact CD1-CD1 4.16Å; M321-I326 HydrophobicContact CE-CB 3.73Å; M321-I326 HydrophobicContact CE-CG2 3.33Å; M321-I326 PolarHBondContact O-N 2.83Å; M321-I326 HydrophobicContact SD-CB 4.06Å; M321-I326 HydrophobicContact SD-CD1 4.05Å; M321-I326 HydrophobicContact SD-CG2 4.02Å; F324-I326 HydrophobicContact CB-CD1 3.78Å; F324-I326 HydrophobicContact CB-CG1 3.71Å; F324-I326 PolarHBondContact O-N 3.09Å; F324-I326 VanDerWaalsContact O-N 3.1Å; I326-L399 HydrophobicContact CD1-CD2 4.1Å; I326-L399 HydrophobicContact CG1-CD2 4.16Å; I326-L399 HydrophobicContact CG2-CD2 4.15Å; I326-L402 HydrophobicContact CD1-CD1 4.26Å; I326-L402 HydrophobicContact CG2-CB 4.2Å; I326-R403 HydrophobicContact CG2-CG 4.05Å; I326-R403 WeakPolarHBondContact O-CG 3.47Å; I326-R403 PolarHBondContact O-NE 3.5Å
327F91.8Very high88.9Confident12 Ų1241.8 Ų41.85%0.05323%0.226CC..  trans-141.6120179.8-178.3-105.8000110.6L318 M321 D329 I332 G406 F407 L410L318-F327 HydrophobicContact CD2-CD1 4.17Å; L318-F327 HydrophobicContact CD2-CE1 4.22Å; M321-F327 HydrophobicContact CB-CB 4.2Å; M321-F327 HydrophobicContact CE-CB 3.61Å; M321-F327 PolarHBondContact O-N 3.03Å; F327-D329 HydrophobicContact CE1-CB 3.86Å; F327-D329 HydrophobicContact CE2-CB 4.36Å; F327-D329 HydrophobicContact CZ-CB 3.64Å; F327-I332 HydrophobicContact CD1-CD1 3.45Å; F327-I332 VanDerWaalsContact CD1-CD1 3.45Å; F327-I332 HydrophobicContact CD1-CG1 4.35Å; F327-I332 HydrophobicContact CE1-CD1 3.6Å; F327-I332 HydrophobicContact CE1-CG1 4.06Å; F327-I332 HydrophobicContact CG-CD1 4.48Å; F327-G406 VanDerWaalsContact CE1-C 3.44Å; F327-G406 WeakPolarHBondContact CE1-O 3.24Å; F327-F407 AromaticContact CE2-CD1 3.54Å; F327-F407 HydrophobicContact CE2-CD1 3.54Å; F327-F407 AromaticContact CE2-CD2 3.95Å; F327-F407 HydrophobicContact CE2-CD2 3.95Å; F327-F407 AromaticContact CE2-CE1 3.47Å; F327-F407 HydrophobicContact CE2-CE1 3.47Å; F327-F407 VanDerWaalsContact CE2-CE1 3.47Å; F327-F407 AromaticContact CE2-CE2 3.87Å; F327-F407 HydrophobicContact CE2-CE2 3.87Å; F327-F407 AromaticContact CE2-CG 3.8Å; F327-F407 HydrophobicContact CE2-CG 3.8Å; F327-F407 AromaticContact CE2-CZ 3.64Å; F327-F407 HydrophobicContact CE2-CZ 3.64Å; F327-F407 AromaticContact CZ-CD1 3.61Å; F327-F407 HydrophobicContact CZ-CD1 3.61Å; F327-F407 AromaticContact CZ-CE1 3.87Å; F327-F407 HydrophobicContact CZ-CE1 3.87Å; F327-F407 HydrophobicContact CZ-CG 4.03Å; F327-F407 HydrophobicContact CZ-CZ 4.48Å; F327-L410 HydrophobicContact CE1-CB 4.47Å; F327-L410 HydrophobicContact CE1-CD2 4.26Å; F327-L410 HydrophobicContact CZ-CD2 4.23Å
328N88.7Confident87.6Confident70 Ų7047 Ų4737%0.37425%0.254SS..  trans-136.360-175.1-52-75.7000111.2K322 N325K322-N328 WeakPolarHBondContact CA-OD1 3.42Å; K322-N328 PolarHBondContact O-OD1 3.22Å; N325-N328 WeakPolarHBondContact CA-ND2 3.4Å; N325-N328 PolarHBondContact O-ND2 3Å; N325-N328 PolarHBondContact OD1-ND2 3.39Å
329D89Confident85.8Confident19 Ų1953.1 Ų53.110%0.10229%0.287CS..  trans-67135168.9-166.4-67000109.2F327 D331 I332 R367 L410F327-D329 HydrophobicContact CE1-CB 3.86Å; F327-D329 HydrophobicContact CE2-CB 4.36Å; F327-D329 HydrophobicContact CZ-CB 3.64Å; D329-D331 PolarHBondContact O-N 2.95Å; D329-D331 VanDerWaalsContact O-N 3.12Å; D329-D331 WeakPolarHBondContact OD1-CB 3.39Å; D329-D331 PolarHBondContact OD1-N 3.01Å; D329-I332 HydrophobicContact CB-CD1 4.15Å; D329-I332 HydrophobicContact CB-CG1 4.11Å; D329-I332 VanDerWaalsContact N-CD1 3.34Å; D329-I332 WeakPolarHBondContact O-CB 3.37Å; D329-I332 WeakPolarHBondContact O-CD1 3.24Å; D329-I332 VanDerWaalsContact O-CG1 3.31Å; D329-I332 WeakPolarHBondContact O-CG1 3.38Å; D329-I332 PolarHBondContact O-N 3.29Å; D329-R367 IonicContact OD1-CZ 3.77Å; D329-R367 IonicContact OD1-NE 3.75Å; D329-R367 IonicContact OD1-NH2 2.68Å; D329-R367 PolarHBondContact OD1-NH2 3.4Å; D329-R367 IonicContact OD2-CZ 3.82Å; D329-R367 IonicContact OD2-NE 3.04Å; D329-R367 PolarHBondContact OD2-NE 3.1Å; D329-R367 IonicContact OD2-NH2 2.69Å; D329-L410 HydrophobicContact CB-CD2 3.76Å
330P85.4Confident83.3Confident47 Ų4755.6 Ų55.631%0.30530%0.297SS..THydrogen-bonded Turntrans-58-25.5-179.222.6-34.5000113.3I332P330-I332 VanDerWaalsContact C-N 3.27Å; P330-I332 PolarHBondContact O-N 3.07Å
331D85.7Confident80.8Confident22 Ų2261.3 Ų61.312%0.11834%0.335CS..THydrogen-bonded Turntrans-80-4.8-179.8-68.2-8.9000113.7D329 P334 L335 R363 R367D329-D331 PolarHBondContact O-N 2.95Å; D329-D331 VanDerWaalsContact O-N 3.12Å; D329-D331 WeakPolarHBondContact OD1-CB 3.39Å; D329-D331 PolarHBondContact OD1-N 3.01Å; D331-P334 WeakPolarHBondContact O-CD 3.33Å; D331-L335 WeakPolarHBondContact O-CD1 3.31Å; D331-L335 WeakPolarHBondContact O-CG 3.4Å; D331-R363 IonicContact OD1-CZ 3.23Å; D331-R363 VanDerWaalsContact OD1-CZ 3.23Å; D331-R363 IonicContact OD1-NE 4Å; D331-R363 IonicContact OD1-NH1 2.59Å; D331-R363 PolarHBondContact OD1-NH1 3.2Å; D331-R363 IonicContact OD1-NH2 3.7Å; D331-R367 IonicContact OD2-CZ 3.72Å; D331-R367 IonicContact OD2-NH2 3.64Å; D331-R367 PolarHBondContact OD2-NH2 3.19Å
332I87.7Confident78Confident1 Ų164.2 Ų64.21%0.00537%0.365CS..Hα-helixtrans-63.9-46.8173.4-65.3166.9000110.3L318 K322 F327 D329 P330 L335 L336 L410L318-I332 HydrophobicContact CB-CG2 4.09Å; L318-I332 HydrophobicContact CD2-CG1 4.46Å; K322-I332 HydrophobicContact CD-CG2 4.26Å; F327-I332 HydrophobicContact CD1-CD1 3.45Å; F327-I332 VanDerWaalsContact CD1-CD1 3.45Å; F327-I332 HydrophobicContact CD1-CG1 4.35Å; F327-I332 HydrophobicContact CE1-CD1 3.6Å; F327-I332 HydrophobicContact CE1-CG1 4.06Å; F327-I332 HydrophobicContact CG-CD1 4.48Å; D329-I332 HydrophobicContact CB-CD1 4.15Å; D329-I332 HydrophobicContact CB-CG1 4.11Å; D329-I332 VanDerWaalsContact N-CD1 3.34Å; D329-I332 WeakPolarHBondContact O-CB 3.37Å; D329-I332 WeakPolarHBondContact O-CD1 3.24Å; D329-I332 VanDerWaalsContact O-CG1 3.31Å; D329-I332 WeakPolarHBondContact O-CG1 3.38Å; D329-I332 PolarHBondContact O-N 3.29Å; P330-I332 VanDerWaalsContact C-N 3.27Å; P330-I332 PolarHBondContact O-N 3.07Å; I332-L335 PolarHBondContact O-N 3.29Å; I332-L336 HydrophobicContact CG2-CD1 3.5Å; I332-L336 HydrophobicContact CG2-CG 3.77Å; I332-L336 WeakPolarHBondContact O-CG 3.45Å; I332-L336 PolarHBondContact O-N 3.38Å; I332-L336 VanDerWaalsContact O-N 3.09Å; I332-L410 HydrophobicContact CB-CD1 4.44Å; I332-L410 HydrophobicContact CG1-CD1 3.81Å
333S87.3Confident75.3Confident50 Ų5066.7 Ų66.735%0.3538%0.381SS..Hα-helixtrans-60.2-45-169-47.20000113.1K322 L335 L336K322-S333 PolarHBondContact NZ-OG 2.92Å; S333-L335 VanDerWaalsContact C-N 3.3Å; S333-L335 PolarHBondContact O-N 3.42Å; S333-L336 PolarHBondContact O-N 3.38Å
334P86.3Confident72.7Confident80 Ų8074.9 Ų74.952%0.51941%0.409SS..Hα-helixtrans-61.2-34.4174.3-23.734.8000113.9D331D331-P334 WeakPolarHBondContact O-CD 3.33Å
335L85.3Confident70.1Confident32 Ų3281 Ų8117%0.16844%0.443CS..Hα-helixtrans-78-24.4-177.1-67.9171.7000113.4D331 I332 S333 I337 L410 L413 A414 K417D331-L335 WeakPolarHBondContact O-CD1 3.31Å; D331-L335 WeakPolarHBondContact O-CG 3.4Å; I332-L335 PolarHBondContact O-N 3.29Å; S333-L335 VanDerWaalsContact C-N 3.3Å; S333-L335 PolarHBondContact O-N 3.42Å; L335-I337 VanDerWaalsContact C-N 3.32Å; L335-L410 HydrophobicContact CD1-CD1 3.48Å; L335-L410 VanDerWaalsContact CD1-CD1 3.48Å; L335-L410 HydrophobicContact CD1-CG 4.36Å; L335-L413 HydrophobicContact CB-CD2 3.89Å; L335-L413 HydrophobicContact CB-CG 4.45Å; L335-A414 HydrophobicContact CD1-CB 4.24Å; L335-A414 HydrophobicContact CD2-CB 4.15Å; L335-K417 HydrophobicContact CD2-CD 4.35Å; L335-K417 WeakPolarHBondContact O-CE 3.46Å; L335-K417 PolarHBondContact O-NZ 3.21Å
336L86.5Confident67.3Low39 Ų3978.4 Ų78.420%0.20445%0.445CS..Hα-helixtrans-78.9-13.3176.8-67.4-175.1000113.8K315 L318 I332 S333 D338K315-L336 HydrophobicContact CB-CD2 4Å; K315-L336 HydrophobicContact CG-CD2 4.07Å; K315-L336 WeakPolarHBondContact O-CD2 3.46Å; L318-L336 HydrophobicContact CB-CD2 4.05Å; I332-L336 HydrophobicContact CG2-CD1 3.5Å; I332-L336 HydrophobicContact CG2-CG 3.77Å; I332-L336 WeakPolarHBondContact O-CG 3.45Å; I332-L336 PolarHBondContact O-N 3.38Å; I332-L336 VanDerWaalsContact O-N 3.09Å; S333-L336 PolarHBondContact O-N 3.38Å; L336-D338 PolarHBondContact O-N 3.42Å
337I82.3Confident64.6Low112 Ų11288.6 Ų88.657%0.57448%0.483SS*.SBendtrans-71.7127.8175.2-60.1169.6000107.9L335 D339 K417L335-I337 VanDerWaalsContact C-N 3.32Å; I337-D339 PolarHBondContact O-N 3.43Å; I337-K417 PolarHBondContact O-NZ 2.92Å; I337-K417 VanDerWaalsContact O-NZ 3.08Å
338D65.7Low62.1Low112 Ų11296.4 Ų96.460%0.59952%0.519SS*.  trans-68.8124.4170.3-76.7-29000109K315 L336 N340K315-D338 IonicContact NZ-OD1 3.83Å; K315-D338 PolarHBondContact NZ-OD1 2.75Å; L336-D338 PolarHBondContact O-N 3.42Å; D338-N340 PolarHBondContact O-N 3.22Å
339D55.9Low59.8Low127 Ų127100.6 Ų100.668%0.67954%0.537SS*.  trans-72.463.3175.1-63.9-63000109.3I337 P341 K417I337-D339 PolarHBondContact O-N 3.43Å; D339-P341 VanDerWaalsContact O-CD 3.32Å; D339-P341 WeakPolarHBondContact O-CD 3.35Å; D339-K417 IonicContact OD2-NZ 3.22Å; D339-K417 PolarHBondContact OD2-NZ 3.46Å
340N39.6Very low57.1Low122 Ų122109.1 Ų109.165%0.65258%0.576SS**  trans-82.7114.2169.1-160.4-4.7000107.3D338 G342D338-N340 PolarHBondContact O-N 3.22Å; N340-G342 PolarHBondContact O-N 3.31Å
341P36.2Very low54.9Low135 Ų135114.4 Ų114.488%0.87760%0.597SS**THydrogen-bonded Turntrans-70.515.1-173.923-26.1000114.6D339D339-P341 VanDerWaalsContact O-CD 3.32Å; D339-P341 WeakPolarHBondContact O-CD 3.35Å
342G34.7Very low52.4Low60 Ų60120.4 Ų120.462%0.61963%0.629SS**THydrogen-bonded Turntrans-108-12.2-17000000117.8N340N340-G342 PolarHBondContact O-N 3.31Å
343I34.3Very low50.2Low134 Ų134124.7 Ų124.769%0.68766%0.659SS**  trans-138.771.8-174.1-48.9179.5000110.6D345I343-D345 HydrophobicContact CG2-CB 4.14Å; I343-D345 PolarHBondContact O-N 3.15Å; I343-D345 VanDerWaalsContact O-N 3.15Å
344R33.3Very low48.2Very low256 Ų256127.9 Ų127.997%0.96668%0.681SS**  trans-79.375.2155.1-80.6-172.4177.6-174.10.4108.2G346R344-G346 PolarHBondContact O-N 2.89Å
345D34.3Very low46.5Very low143 Ų143128.5 Ų128.577%0.76568%0.677SS**  trans-83.994.1161.7-123-18.9000107.7I343 R347I343-D345 HydrophobicContact CG2-CB 4.14Å; I343-D345 PolarHBondContact O-N 3.15Å; I343-D345 VanDerWaalsContact O-N 3.15Å; D345-R347 VanDerWaalsContact C-N 3.33Å; D345-R347 PolarHBondContact O-N 3.38Å
346G32.6Very low45Very low67 Ų67136 Ų13669%0.69171%0.711SS**  trans-71.489174.200000109.6R344R344-G346 PolarHBondContact O-N 2.89Å
347R34.9Very low43.5Very low221 Ų221142 Ų14283%0.83474%0.743SS**  trans-179.2143.3160-97.7146.7-164.9-144.76108.8D345D345-R347 VanDerWaalsContact C-N 3.33Å; D345-R347 PolarHBondContact O-N 3.38Å
348Q37.9Very low42.7Very low175 Ų175138.8 Ų138.882%0.81873%0.725SS**  trans83.8120.1173.7-64.9164.5-4600113.5
349E40.9Very low43.3Very low159 Ų159136.4 Ų136.474%0.74372%0.718SS**  cis-150.712121.4-101.3149.2-162.300110.4Q351E349-Q351 PolarHBondContact O-N 3.07Å
350Q32.7Very low44.2Very low198 Ų198135.2 Ų135.293%0.92571%0.708SS**  trans-70.5106.2154.7-76.8173.8-52.600107
351Q37.9Very low45.9Very low158 Ų158137.1 Ų137.174%0.73871%0.713SS**  trans-158.9115.7160.2-113.216713.600111.8E349E349-Q351 PolarHBondContact O-N 3.07Å
352D34.4Very low48.1Very low148 Ų148135.4 Ų135.479%0.79169%0.693SS**  trans64.699146.2-62.4-21.1000120.2
353S41.9Very low50.3Low90 Ų90135.7 Ų135.763%0.62968%0.676SS**  161.6160.2107.456.90000111Q355S353-Q355 PolarHBondContact O-N 3.22Å
354S45.7Very low52.5Low117 Ų117136.1 Ų136.182%0.81867%0.669SS**THydrogen-bonded Turntrans-50.57.6-167.6-1680000119.2
355Q50.5Low54.8Low93 Ų93126.8 Ų126.844%0.43565%0.646SS.*THydrogen-bonded Turntrans-91.4-15.8-177.3-73.1-176-18.300115S353 L357 M358S353-Q355 PolarHBondContact O-N 3.22Å; Q355-L357 PolarHBondContact O-N 2.89Å; Q355-L357 VanDerWaalsContact O-N 3.1Å; Q355-M358 PolarHBondContact O-N 2.86Å
356E52.4Low57.4Low191 Ų191124 Ų12489%0.89363%0.628SS**THydrogen-bonded Turntrans-67.8-4.7-179-91.5-176.2158.400115.5
357L55.6Low59.9Low165 Ų165121.8 Ų121.886%0.86460%0.598SS**THydrogen-bonded Turntrans-91.7-11.2178.6-79.7167.5000114.6Q355Q355-L357 PolarHBondContact O-N 2.89Å; Q355-L357 VanDerWaalsContact O-N 3.1Å
358M65.5Low62.4Low43 Ų43115.4 Ų115.421%0.21258%0.584CS.*SBendtrans-82.3133.2179.6-64.5-166-28.100110.7Q355 E362 R363 K366Q355-M358 PolarHBondContact O-N 2.86Å; M358-E362 WeakPolarHBondContact CA-OE2 3.49Å; M358-E362 HydrophobicContact CB-CB 4.17Å; M358-E362 HydrophobicContact CB-CG 4.05Å; M358-E362 WeakPolarHBondContact CB-OE2 3.42Å; M358-E362 HydrophobicContact CE-CG 4.45Å; M358-E362 HydrophobicContact CG-CG 4.14Å; M358-E362 HydrophobicContact SD-CG 3.98Å; M358-R363 HydrophobicContact CB-CG 4.03Å; M358-R363 HydrophobicContact CE-CB 4.37Å; M358-R363 HydrophobicContact CE-CG 3.59Å; M358-K366 HydrophobicContact CE-CD 3.75Å; M358-K366 HydrophobicContact SD-CD 4.23Å
359S77.6Confident64.8Low63 Ų63111.8 Ų111.844%0.44157%0.567SS.*  trans-59.4154.3172.568.80000110.7Q361 E362 R363S359-Q361 PolarHBondContact O-N 2.68Å; S359-E362 PolarHBondContact N-OE2 2.8Å; S359-E362 WeakPolarHBondContact O-CA 3.47Å; S359-E362 WeakPolarHBondContact O-CB 3.3Å; S359-E362 PolarHBondContact O-N 2.9Å; S359-E362 WeakPolarHBondContact OG-CB 3.36Å; S359-E362 PolarHBondContact OG-N 3.14Å; S359-R363 PolarHBondContact O-N 3.32Å
360E74.6Confident67.1Low101 Ų101107.2 Ų107.247%0.47255%0.548SS..Hα-helixtrans-54.2-38.4174.9-172.1-175165.900112.2E362 R363 R364E360-E362 VanDerWaalsContact C-N 3.33Å; E360-E362 PolarHBondContact O-N 3.33Å; E360-R363 PolarHBondContact O-N 3.33Å; E360-R364 WeakPolarHBondContact O-CG 3.42Å; E360-R364 PolarHBondContact O-N 3.36Å; E360-R364 IonicContact OE1-CZ 3.32Å; E360-R364 VanDerWaalsContact OE1-CZ 3.32Å; E360-R364 IonicContact OE1-NE 3.31Å; E360-R364 PolarHBondContact OE1-NE 3.23Å; E360-R364 IonicContact OE1-NH2 2.67Å; E360-R364 PolarHBondContact OE1-NH2 3.03Å
361Q76.2Confident69.8Low163 Ų163100.4 Ų100.476%0.76251%0.514SS*.Hα-helixtrans-61.3-40.9174.7-68.4-178.4-19.800112.2S359 R364 A365S359-Q361 PolarHBondContact O-N 2.68Å; Q361-R364 PolarHBondContact O-N 3.23Å; Q361-A365 WeakPolarHBondContact O-CB 3.43Å; Q361-A365 PolarHBondContact O-N 3.43Å
362E81.7Confident72Confident98 Ų9895.5 Ų95.546%0.45850%0.497SS..Hα-helixtrans-69.5-37.9177.3-174.6176.5-168.700111.9M358 S359 E360 A365 K366M358-E362 WeakPolarHBondContact CA-OE2 3.49Å; M358-E362 HydrophobicContact CB-CB 4.17Å; M358-E362 HydrophobicContact CB-CG 4.05Å; M358-E362 WeakPolarHBondContact CB-OE2 3.42Å; M358-E362 HydrophobicContact CE-CG 4.45Å; M358-E362 HydrophobicContact CG-CG 4.14Å; M358-E362 HydrophobicContact SD-CG 3.98Å; S359-E362 PolarHBondContact N-OE2 2.8Å; S359-E362 WeakPolarHBondContact O-CA 3.47Å; S359-E362 WeakPolarHBondContact O-CB 3.3Å; S359-E362 PolarHBondContact O-N 2.9Å; S359-E362 WeakPolarHBondContact OG-CB 3.36Å; S359-E362 PolarHBondContact OG-N 3.14Å; E360-E362 VanDerWaalsContact C-N 3.33Å; E360-E362 PolarHBondContact O-N 3.33Å; E362-A365 PolarHBondContact O-N 3.48Å; E362-K366 VanDerWaalsContact O-CB 3.29Å; E362-K366 WeakPolarHBondContact O-CB 3.44Å; E362-K366 PolarHBondContact O-N 3.37Å
363R82.3Confident74.7Confident66 Ų6694.1 Ų94.125%0.24948%0.484CS..Hα-helixtrans-61.2-48172.3-70.4-172.4-67.5149.313111.4D331 M358 S359 E360 K366 R367D331-R363 IonicContact OD1-CZ 3.23Å; D331-R363 VanDerWaalsContact OD1-CZ 3.23Å; D331-R363 IonicContact OD1-NE 4Å; D331-R363 IonicContact OD1-NH1 2.59Å; D331-R363 PolarHBondContact OD1-NH1 3.2Å; D331-R363 IonicContact OD1-NH2 3.7Å; M358-R363 HydrophobicContact CB-CG 4.03Å; M358-R363 HydrophobicContact CE-CB 4.37Å; M358-R363 HydrophobicContact CE-CG 3.59Å; S359-R363 PolarHBondContact O-N 3.32Å; E360-R363 PolarHBondContact O-N 3.33Å; R363-K366 PolarHBondContact O-N 3.02Å; R363-R367 PolarHBondContact O-N 2.87Å
364R79.8Confident77Confident143 Ų14390.8 Ų90.854%0.5446%0.459SS..Hα-helixtrans-61.7-45175.5-68.9-178.7-172.8-157.41.9112E360 Q361 K366 R367 T368E360-R364 WeakPolarHBondContact O-CG 3.42Å; E360-R364 PolarHBondContact O-N 3.36Å; E360-R364 IonicContact OE1-CZ 3.32Å; E360-R364 VanDerWaalsContact OE1-CZ 3.32Å; E360-R364 IonicContact OE1-NE 3.31Å; E360-R364 PolarHBondContact OE1-NE 3.23Å; E360-R364 IonicContact OE1-NH2 2.67Å; E360-R364 PolarHBondContact OE1-NH2 3.03Å; Q361-R364 PolarHBondContact O-N 3.23Å; R364-K366 VanDerWaalsContact C-N 3.35Å; R364-K366 PolarHBondContact O-N 2.88Å; R364-R367 WeakPolarHBondContact O-CB 3.47Å; R364-R367 PolarHBondContact O-N 3.37Å; R364-R367 VanDerWaalsContact O-N 3.16Å; R364-T368 PolarHBondContact O-N 3.26Å; R364-T368 PolarHBondContact O-OG1 2.95Å; R364-T368 VanDerWaalsContact O-OG1 3.13Å
365A82.6Confident78.9Confident60 Ų6087.9 Ų87.950%0.49643%0.432SS..Hα-helixtrans-60.4-44.6177.500000111.9Q361 E362 R367 T368 E369Q361-A365 WeakPolarHBondContact O-CB 3.43Å; Q361-A365 PolarHBondContact O-N 3.43Å; E362-A365 PolarHBondContact O-N 3.48Å; A365-R367 VanDerWaalsContact C-N 3.32Å; A365-R367 PolarHBondContact O-N 3.2Å; A365-T368 PolarHBondContact O-N 2.94Å; A365-E369 WeakPolarHBondContact O-CB 3.43Å; A365-E369 PolarHBondContact O-N 3.5Å
366K87.6Confident80.6Confident86 Ų8686 Ų8637%0.37443%0.429SS..Hα-helixtrans-62.8-38.2175.5-172.2179.6-174.4176.40111.9M358 E362 R363 R364 E369 N370M358-K366 HydrophobicContact CE-CD 3.75Å; M358-K366 HydrophobicContact SD-CD 4.23Å; E362-K366 VanDerWaalsContact O-CB 3.29Å; E362-K366 WeakPolarHBondContact O-CB 3.44Å; E362-K366 PolarHBondContact O-N 3.37Å; R363-K366 PolarHBondContact O-N 3.02Å; R364-K366 VanDerWaalsContact C-N 3.35Å; R364-K366 PolarHBondContact O-N 2.88Å; K366-E369 PolarHBondContact O-N 3.38Å; K366-N370 WeakPolarHBondContact O-CB 3.38Å; K366-N370 PolarHBondContact O-N 2.87Å; K366-N370 PolarHBondContact O-ND2 2.81Å
367R86.3Confident82.4Confident20 Ų2080.6 Ų80.68%0.07540%0.403CS..Hα-helixtrans-60.4-52.3174-172.9-175.6-60.7150.614.9111.3D329 D331 R363 R364 A365 E369 N370 Y371 F407 L410 D411D329-R367 IonicContact OD1-CZ 3.77Å; D329-R367 IonicContact OD1-NE 3.75Å; D329-R367 IonicContact OD1-NH2 2.68Å; D329-R367 PolarHBondContact OD1-NH2 3.4Å; D329-R367 IonicContact OD2-CZ 3.82Å; D329-R367 IonicContact OD2-NE 3.04Å; D329-R367 PolarHBondContact OD2-NE 3.1Å; D329-R367 IonicContact OD2-NH2 2.69Å; D331-R367 IonicContact OD2-CZ 3.72Å; D331-R367 IonicContact OD2-NH2 3.64Å; D331-R367 PolarHBondContact OD2-NH2 3.19Å; R363-R367 PolarHBondContact O-N 2.87Å; R364-R367 WeakPolarHBondContact O-CB 3.47Å; R364-R367 PolarHBondContact O-N 3.37Å; R364-R367 VanDerWaalsContact O-N 3.16Å; A365-R367 VanDerWaalsContact C-N 3.32Å; A365-R367 PolarHBondContact O-N 3.2Å; R367-E369 VanDerWaalsContact C-N 3.26Å; R367-E369 PolarHBondContact O-N 3.25Å; R367-N370 PolarHBondContact O-N 3.16Å; R367-Y371 WeakPolarHBondContact O-CB 2.94Å; R367-Y371 PolarHBondContact O-N 3.41Å; R367-F407 HydrophobicContact CG-CD1 3.35Å; R367-F407 HydrophobicContact CG-CE1 3.57Å; R367-L410 VanDerWaalsContact NE-CD2 3.33Å; R367-D411 IonicContact CZ-OD1 3.89Å; R367-D411 IonicContact NH1-OD1 2.89Å; R367-D411 PolarHBondContact NH1-OD1 2.67Å
368T85.6Confident83.9Confident87 Ų8773 Ų7353%0.53436%0.363SS..Hα-helixtrans-60-38.5179.1-51.90000111.7R364 A365 S372R364-T368 PolarHBondContact O-N 3.26Å; R364-T368 PolarHBondContact O-OG1 2.95Å; R364-T368 VanDerWaalsContact O-OG1 3.13Å; A365-T368 PolarHBondContact O-N 2.94Å; T368-S372 VanDerWaalsContact O-CB 3.31Å; T368-S372 WeakPolarHBondContact O-CB 3.28Å; T368-S372 PolarHBondContact O-N 3.23Å; T368-S372 PolarHBondContact O-OG 3.19Å
369E88.6Confident84.7Confident98 Ų9874.9 Ų74.946%0.45837%0.371SS..Hα-helixtrans-64.2-48.4175-170.7-171.6169.500111.8A365 K366 R367 S372 K373A365-E369 WeakPolarHBondContact O-CB 3.43Å; A365-E369 PolarHBondContact O-N 3.5Å; K366-E369 PolarHBondContact O-N 3.38Å; R367-E369 VanDerWaalsContact C-N 3.26Å; R367-E369 PolarHBondContact O-N 3.25Å; E369-S372 PolarHBondContact O-N 2.68Å; E369-K373 HydrophobicContact CG-CD 4.21Å; E369-K373 WeakPolarHBondContact O-CB 3.38Å; E369-K373 WeakPolarHBondContact O-CG 3.46Å; E369-K373 PolarHBondContact O-N 3.05Å; E369-K373 WeakPolarHBondContact OE1-CE 3.45Å; E369-K373 IonicContact OE1-NZ 2.59Å; E369-K373 PolarHBondContact OE1-NZ 3.33Å
370N89.7Confident85Confident63 Ų6380 Ų8034%0.33738%0.381SS..Hα-helixtrans-62.7-44.9178.3-72-21.5000111.6K366 R367 S372 K373 L374 F407K366-N370 WeakPolarHBondContact O-CB 3.38Å; K366-N370 PolarHBondContact O-N 2.87Å; K366-N370 PolarHBondContact O-ND2 2.81Å; R367-N370 PolarHBondContact O-N 3.16Å; N370-S372 VanDerWaalsContact C-N 3.35Å; N370-S372 PolarHBondContact O-N 3.22Å; N370-K373 PolarHBondContact O-N 2.87Å; N370-L374 VanDerWaalsContact O-CB 3.28Å; N370-L374 WeakPolarHBondContact O-CB 3.4Å; N370-L374 PolarHBondContact O-N 3.37Å; N370-F407 HydrophobicContact CB-CE1 4.21Å; N370-F407 HydrophobicContact CB-CE2 4.33Å; N370-F407 HydrophobicContact CB-CZ 3.59Å
371Y89.3Confident85.5Confident55 Ų5576.5 Ų76.522%0.21637%0.365CS..Hα-helixtrans-55-50.6173.2173.8-93.4000111R367 K373 L374 K375 L404 F407R367-Y371 WeakPolarHBondContact O-CB 2.94Å; R367-Y371 PolarHBondContact O-N 3.41Å; Y371-K373 PolarHBondContact O-N 2.97Å; Y371-L374 PolarHBondContact O-N 2.89Å; Y371-K375 HydrophobicContact CE1-CD 3.99Å; Y371-K375 VanDerWaalsContact O-CB 3.29Å; Y371-K375 WeakPolarHBondContact O-CB 3.16Å; Y371-K375 PolarHBondContact O-N 2.93Å; Y371-L404 HydrophobicContact CD2-CD1 3.67Å; Y371-L404 HydrophobicContact CE2-CD1 3.46Å; Y371-L404 VanDerWaalsContact CE2-CD1 3.46Å; Y371-L404 HydrophobicContact CE2-CG 4.19Å; Y371-L404 HydrophobicContact CG-CD1 4.5Å; Y371-F407 HydrophobicContact CD2-CB 3.63Å; Y371-F407 HydrophobicContact CD2-CD2 4.14Å; Y371-F407 HydrophobicContact CD2-CG 4.1Å; Y371-F407 HydrophobicContact CE2-CB 4.4Å; Y371-F407 HydrophobicContact CG-CB 4.48Å
372S84.5Confident85.6Confident55 Ų5573.3 Ų73.339%0.38535%0.349SS..Hα-helixtrans-63.7-42.9-178.6-59.40000111.9T368 E369 N370 K375 C376T368-S372 VanDerWaalsContact O-CB 3.31Å; T368-S372 WeakPolarHBondContact O-CB 3.28Å; T368-S372 PolarHBondContact O-N 3.23Å; T368-S372 PolarHBondContact O-OG 3.19Å; E369-S372 PolarHBondContact O-N 2.68Å; N370-S372 VanDerWaalsContact C-N 3.35Å; N370-S372 PolarHBondContact O-N 3.22Å; S372-K375 PolarHBondContact O-N 3.01Å; S372-C376 WeakPolarHBondContact O-CB 3.41Å; S372-C376 PolarHBondContact O-N 3.45Å; S372-C376 PolarHBondContact O-SG 2.81Å; S372-C376 VanDerWaalsContact O-SG 3.32Å
373K90.7Very high85.2Confident119 Ų11976.1 Ų76.152%0.51736%0.364SS..Hα-helixtrans-60.7-45.9176.1-78.6171.9170.9170.80111.8E369 N370 Y371 H377E369-K373 HydrophobicContact CG-CD 4.21Å; E369-K373 WeakPolarHBondContact O-CB 3.38Å; E369-K373 WeakPolarHBondContact O-CG 3.46Å; E369-K373 PolarHBondContact O-N 3.05Å; E369-K373 WeakPolarHBondContact OE1-CE 3.45Å; E369-K373 IonicContact OE1-NZ 2.59Å; E369-K373 PolarHBondContact OE1-NZ 3.33Å; N370-K373 PolarHBondContact O-N 2.87Å; Y371-K373 PolarHBondContact O-N 2.97Å; K373-H377 WeakPolarHBondContact O-CB 3.37Å; K373-H377 PolarHBondContact O-N 3.2Å
374L89.7Confident85.2Confident21 Ų2180.2 Ų80.211%0.1138%0.379CS..Hα-helixtrans-67-44.5-180-173.862.4000111.6N370 Y371 H377 L378 D400 R403 L404 F407N370-L374 VanDerWaalsContact O-CB 3.28Å; N370-L374 WeakPolarHBondContact O-CB 3.4Å; N370-L374 PolarHBondContact O-N 3.37Å; Y371-L374 PolarHBondContact O-N 2.89Å; L374-H377 WeakPolarHBondContact O-CB 3.31Å; L374-H377 PolarHBondContact O-N 2.93Å; L374-H377 VanDerWaalsContact O-N 3.16Å; L374-L378 HydrophobicContact CG-CD1 4.37Å; L374-L378 WeakPolarHBondContact O-CG 3.35Å; L374-L378 PolarHBondContact O-N 2.68Å; L374-D400 HydrophobicContact CD1-CB 3.65Å; L374-D400 WeakPolarHBondContact CD2-O 3.18Å; L374-R403 HydrophobicContact CD2-CB 3.56Å; L374-L404 HydrophobicContact CD2-CB 4.05Å; L374-L404 HydrophobicContact CD2-CD1 4.43Å; L374-L404 HydrophobicContact CG-CD1 4.48Å; L374-F407 HydrophobicContact CD2-CD2 4.26Å; L374-F407 HydrophobicContact CD2-CE2 3.97Å
375K86.3Confident85.1Confident56 Ų5677.6 Ų77.624%0.24338%0.381CS..Hα-helixtrans-57.9-50.7174.3-174.2175-175.7174.60111.2Y371 S372 H377 L378 E379 L404Y371-K375 HydrophobicContact CE1-CD 3.99Å; Y371-K375 VanDerWaalsContact O-CB 3.29Å; Y371-K375 WeakPolarHBondContact O-CB 3.16Å; Y371-K375 PolarHBondContact O-N 2.93Å; S372-K375 PolarHBondContact O-N 3.01Å; K375-H377 VanDerWaalsContact C-N 3.28Å; K375-H377 PolarHBondContact O-N 2.89Å; K375-L378 PolarHBondContact O-N 2.94Å; K375-E379 VanDerWaalsContact CE-OE1 3.29Å; K375-E379 WeakPolarHBondContact CE-OE1 3.39Å; K375-E379 WeakPolarHBondContact O-CB 3.15Å; K375-E379 WeakPolarHBondContact O-CG 3.29Å; K375-E379 PolarHBondContact O-N 3.25Å; K375-L404 HydrophobicContact CB-CD1 4Å
376C86.2Confident84.8Confident54 Ų5480.2 Ų80.237%0.36538%0.383SS..Hα-helixtrans-61.1-36175.7-74.50000112.6S372 R380S372-C376 WeakPolarHBondContact O-CB 3.41Å; S372-C376 PolarHBondContact O-N 3.45Å; S372-C376 PolarHBondContact O-SG 2.81Å; S372-C376 VanDerWaalsContact O-SG 3.32Å; C376-R380 VanDerWaalsContact O-CG 3.25Å; C376-R380 WeakPolarHBondContact O-CG 3.4Å; C376-R380 PolarHBondContact O-N 3.15Å; C376-R380 VanDerWaalsContact O-N 3.07Å
377H89.1Confident84.3Confident76 Ų7679.6 Ų79.635%0.35238%0.383SS..Hα-helixtrans-63.4-50.8176.3179.864.5000111.3K373 L374 K375 E379 R380 L381 D400K373-H377 WeakPolarHBondContact O-CB 3.37Å; K373-H377 PolarHBondContact O-N 3.2Å; L374-H377 WeakPolarHBondContact O-CB 3.31Å; L374-H377 PolarHBondContact O-N 2.93Å; L374-H377 VanDerWaalsContact O-N 3.16Å; K375-H377 VanDerWaalsContact C-N 3.28Å; K375-H377 PolarHBondContact O-N 2.89Å; H377-E379 PolarHBondContact O-N 3.45Å; H377-R380 WeakPolarHBondContact O-CB 3.14Å; H377-R380 PolarHBondContact O-N 3.07Å; H377-L381 WeakPolarHBondContact NE2-CD1 3.36Å; H377-L381 PolarHBondContact O-N 3.19Å; H377-L381 VanDerWaalsContact O-N 3.08Å; H377-D400 IonicContact CD2-OD2 2.53Å; H377-D400 PolarHBondContact CD2-OD2 3.49Å; H377-D400 VanDerWaalsContact CD2-OD2 3.22Å; H377-D400 IonicContact NE2-OD2 2.97Å
378L87.2Confident83.9Confident6 Ų679.9 Ų79.93%0.03139%0.388CS..Hα-helixtrans-62.3-40.9177.9-72.6170.5000112.2L374 K375 R380 L381 K382 V397 D400 E401 L404L374-L378 HydrophobicContact CG-CD1 4.37Å; L374-L378 WeakPolarHBondContact O-CG 3.35Å; L374-L378 PolarHBondContact O-N 2.68Å; K375-L378 PolarHBondContact O-N 2.94Å; L378-R380 VanDerWaalsContact C-N 3.35Å; L378-R380 PolarHBondContact O-N 3.2Å; L378-L381 PolarHBondContact O-N 2.87Å; L378-K382 WeakPolarHBondContact O-CG 3.3Å; L378-K382 PolarHBondContact O-N 3.26Å; L378-V397 HydrophobicContact CD2-CG1 3.91Å; L378-D400 HydrophobicContact CD1-CB 4.38Å; L378-D400 HydrophobicContact CD2-CB 3.76Å; L378-D400 HydrophobicContact CG-CB 4.21Å; L378-E401 HydrophobicContact CD1-CG 3.9Å; L378-E401 HydrophobicContact CD2-CG 3.74Å; L378-E401 HydrophobicContact CG-CG 4.45Å; L378-L404 HydrophobicContact CD1-CB 4.1Å; L378-L404 HydrophobicContact CD1-CD2 3.9Å
379E83.6Confident83.5Confident82 Ų8282.1 Ų82.138%0.38340%0.396SS..Hα-helixtrans-60.4-42.7174.3-75.8172.6178.900111.8K375 H377 L381 K382 M383K375-E379 VanDerWaalsContact CE-OE1 3.29Å; K375-E379 WeakPolarHBondContact CE-OE1 3.39Å; K375-E379 WeakPolarHBondContact O-CB 3.15Å; K375-E379 WeakPolarHBondContact O-CG 3.29Å; K375-E379 PolarHBondContact O-N 3.25Å; H377-E379 PolarHBondContact O-N 3.45Å; E379-L381 VanDerWaalsContact C-N 3.33Å; E379-L381 PolarHBondContact O-N 3.46Å; E379-K382 PolarHBondContact O-N 2.96Å; E379-M383 VanDerWaalsContact O-CG 3.29Å; E379-M383 WeakPolarHBondContact O-CG 3.46Å; E379-M383 PolarHBondContact O-N 3.46Å
380R84.3Confident83.3Confident172 Ų17280.9 Ų80.965%0.64939%0.394SS*.Hα-helixtrans-63.4-37.9175.7-72173.7-156.6171.66.9112.6C376 H377 L378 M383 R384C376-R380 VanDerWaalsContact O-CG 3.25Å; C376-R380 WeakPolarHBondContact O-CG 3.4Å; C376-R380 PolarHBondContact O-N 3.15Å; C376-R380 VanDerWaalsContact O-N 3.07Å; H377-R380 WeakPolarHBondContact O-CB 3.14Å; H377-R380 PolarHBondContact O-N 3.07Å; L378-R380 VanDerWaalsContact C-N 3.35Å; L378-R380 PolarHBondContact O-N 3.2Å; R380-M383 PolarHBondContact O-N 2.9Å; R380-R384 PolarHBondContact O-N 3.17Å
381L84.3Confident83.1Confident27 Ų2784.7 Ų84.714%0.14141%0.41CS..Hα-helixtrans-69.3-38.2176.8-68.7-177.9000111.7H377 L378 E379 M383 R384 L387 V388 V397H377-L381 WeakPolarHBondContact NE2-CD1 3.36Å; H377-L381 PolarHBondContact O-N 3.19Å; H377-L381 VanDerWaalsContact O-N 3.08Å; L378-L381 PolarHBondContact O-N 2.87Å; E379-L381 VanDerWaalsContact C-N 3.33Å; E379-L381 PolarHBondContact O-N 3.46Å; L381-M383 VanDerWaalsContact C-N 3.32Å; L381-M383 PolarHBondContact O-N 3.47Å; L381-R384 CarbonylContact O-C 3.55Å; L381-R384 PolarHBondContact O-N 3.38Å; L381-R384 VanDerWaalsContact O-N 3.11Å; L381-L387 HydrophobicContact CD2-CB 4.04Å; L381-L387 HydrophobicContact CD2-CD1 4.1Å; L381-V388 HydrophobicContact CB-CG2 4.25Å; L381-V388 HydrophobicContact CD2-CG2 4.2Å; L381-V397 HydrophobicContact CD1-CG2 3.47Å; L381-V397 VanDerWaalsContact CD1-CG2 3.47Å
382K77.9Confident83Confident96 Ų9689.3 Ų89.342%0.41743%0.431SS..Hα-helixtrans-61.6-38.9172.8-73.3177.9-178.4-179.20112.2N235 L378 E379 R384 E401N235-K382 VanDerWaalsContact CG-NZ 3.27Å; N235-K382 PolarHBondContact ND2-NZ 3.3Å; N235-K382 PolarHBondContact OD1-NZ 3.49Å; L378-K382 WeakPolarHBondContact O-CG 3.3Å; L378-K382 PolarHBondContact O-N 3.26Å; E379-K382 PolarHBondContact O-N 2.96Å; K382-R384 PolarHBondContact O-N 3.35Å; K382-E401 IonicContact NZ-OE1 3.27Å
383M74Confident83.2Confident157 Ų15791 Ų9177%0.77343%0.432SS*.THydrogen-bonded Turntrans-73.9-12.2176.4-64.2-60.9-7800113.8E379 R380 L381E379-M383 VanDerWaalsContact O-CG 3.29Å; E379-M383 WeakPolarHBondContact O-CG 3.46Å; E379-M383 PolarHBondContact O-N 3.46Å; R380-M383 PolarHBondContact O-N 2.9Å; L381-M383 VanDerWaalsContact C-N 3.32Å; L381-M383 PolarHBondContact O-N 3.47Å
384R82.5Confident83Confident151 Ų15189.2 Ų89.257%0.5743%0.426SS*.  trans-137.266.3-178.6-63-177.1-176.3-177.31.6110.3R380 L381 K382 Q386 L387R380-R384 PolarHBondContact O-N 3.17Å; L381-R384 CarbonylContact O-C 3.55Å; L381-R384 PolarHBondContact O-N 3.38Å; L381-R384 VanDerWaalsContact O-N 3.11Å; K382-R384 PolarHBondContact O-N 3.35Å; R384-Q386 PolarHBondContact O-N 3.35Å; R384-L387 HydrophobicContact CB-CD1 3.69Å; R384-L387 HydrophobicContact CB-CG 3.89Å; R384-L387 HydrophobicContact CG-CD1 4.43Å; R384-L387 WeakPolarHBondContact O-CB 3.49Å; R384-L387 PolarHBondContact O-N 3.46Å
385P76.7Confident83.1Confident89 Ų8990.3 Ų90.358%0.57843%0.428SS*.G310 helixtrans-57.6-26-175.922.8-32.9000113.1L387 V388P385-L387 PolarHBondContact O-N 3.4Å; P385-L387 VanDerWaalsContact O-N 3.08Å; P385-V388 PolarHBondContact O-N 3.32Å
386Q77.3Confident83.3Confident115 Ų11592 Ų9254%0.53744%0.437SS..G310 helixtrans-60.4-15.6172.571.4-84.725.300114.4R384 V388 L389R384-Q386 PolarHBondContact O-N 3.35Å; Q386-V388 VanDerWaalsContact C-N 3.28Å; Q386-L389 WeakPolarHBondContact O-CD1 3.24Å; Q386-L389 VanDerWaalsContact O-CG 3.25Å; Q386-L389 WeakPolarHBondContact O-CG 3.35Å
387L76.6Confident83.6Confident72 Ų7290.6 Ų90.638%0.37743%0.426SS..G310 helixtrans-76-19.1173.9-66178.1000112.2L381 R384 P385 K393L381-L387 HydrophobicContact CD2-CB 4.04Å; L381-L387 HydrophobicContact CD2-CD1 4.1Å; R384-L387 HydrophobicContact CB-CD1 3.69Å; R384-L387 HydrophobicContact CB-CG 3.89Å; R384-L387 HydrophobicContact CG-CD1 4.43Å; R384-L387 WeakPolarHBondContact O-CB 3.49Å; R384-L387 PolarHBondContact O-N 3.46Å; P385-L387 PolarHBondContact O-N 3.4Å; P385-L387 VanDerWaalsContact O-N 3.08Å; L387-K393 WeakPolarHBondContact O-CD 3.44Å; L387-K393 PolarHBondContact O-NZ 3.46Å
388V76.8Confident83.6Confident27 Ų2787 Ų8716%0.16441%0.41CS..  trans-112.744.3-170.6-161.70000111.2L381 P385 Q386 K393 Q394 V397L381-V388 HydrophobicContact CB-CG2 4.25Å; L381-V388 HydrophobicContact CD2-CG2 4.2Å; P385-V388 PolarHBondContact O-N 3.32Å; Q386-V388 VanDerWaalsContact C-N 3.28Å; V388-K393 HydrophobicContact CG1-CB 4.23Å; V388-Q394 HydrophobicContact CG1-CB 4.28Å; V388-Q394 HydrophobicContact CG1-CG 3.69Å; V388-V397 HydrophobicContact CG1-CB 4.46Å; V388-V397 HydrophobicContact CG1-CG2 3.71Å; V388-V397 HydrophobicContact CG2-CG2 3.94Å
389L78Confident83.9Confident134 Ų13487.8 Ų87.870%0.70241%0.414SS*.  trans-84.3-23.8-175.9-67.6170.3000114.1Q386Q386-L389 WeakPolarHBondContact O-CD1 3.24Å; Q386-L389 VanDerWaalsContact O-CG 3.25Å; Q386-L389 WeakPolarHBondContact O-CG 3.35Å
390T85.4Confident84.3Confident71 Ų7185 Ų8544%0.43640%0.402SS..SBendtrans-96.1142.2-178.756.20000110.2K392 K393 Q394T390-K392 PolarHBondContact O-N 3.43Å; T390-K393 WeakPolarHBondContact O-CA 3.3Å; T390-K393 WeakPolarHBondContact O-CB 3.46Å; T390-K393 PolarHBondContact O-N 2.83Å; T390-K393 WeakPolarHBondContact OG1-CB 3.3Å; T390-K393 VanDerWaalsContact OG1-CG 3.22Å; T390-K393 WeakPolarHBondContact OG1-CG 3.47Å; T390-K393 PolarHBondContact OG1-N 3.5Å; T390-Q394 PolarHBondContact O-N 3.44Å
391E84.2Confident84.7Confident143 Ų14378.5 Ų78.567%0.66838%0.379SS*.Hα-helixtrans-50.5-43175.9-173.1-177.5179.100112.7K393 Q394 R395E391-K393 VanDerWaalsContact C-N 3.29Å; E391-K393 PolarHBondContact O-N 2.98Å; E391-Q394 WeakPolarHBondContact O-CB 3.48Å; E391-Q394 PolarHBondContact O-N 3.39Å; E391-Q394 VanDerWaalsContact O-N 3.08Å; E391-R395 PolarHBondContact O-N 3.1Å
392K88.5Confident85.1Confident152 Ų15277.2 Ų77.266%0.66137%0.372SS*.Hα-helixtrans-54.2-44175.2-178.3177177.61780112.8T390 R395 E396T390-K392 PolarHBondContact O-N 3.43Å; K392-R395 WeakPolarHBondContact O-CB 3.49Å; K392-R395 PolarHBondContact O-N 3.19Å; K392-E396 WeakPolarHBondContact CE-OE1 3.2Å; K392-E396 WeakPolarHBondContact O-CG 3.38Å; K392-E396 PolarHBondContact O-N 3.03Å
393K88.5Confident85.8Confident92 Ų9276.4 Ų76.440%0.437%0.367SS..Hα-helixtrans-72.8-36.7178.1-70.3-176.7-177178.70111.7L387 V388 T390 E391 R395 E396 V397L387-K393 WeakPolarHBondContact O-CD 3.44Å; L387-K393 PolarHBondContact O-NZ 3.46Å; V388-K393 HydrophobicContact CG1-CB 4.23Å; T390-K393 WeakPolarHBondContact O-CA 3.3Å; T390-K393 WeakPolarHBondContact O-CB 3.46Å; T390-K393 PolarHBondContact O-N 2.83Å; T390-K393 WeakPolarHBondContact OG1-CB 3.3Å; T390-K393 VanDerWaalsContact OG1-CG 3.22Å; T390-K393 WeakPolarHBondContact OG1-CG 3.47Å; T390-K393 PolarHBondContact OG1-N 3.5Å; E391-K393 VanDerWaalsContact C-N 3.29Å; E391-K393 PolarHBondContact O-N 2.98Å; K393-R395 VanDerWaalsContact C-N 3.26Å; K393-R395 PolarHBondContact O-N 3.37Å; K393-E396 PolarHBondContact O-N 2.95Å; K393-V397 VanDerWaalsContact O-CG2 3.31Å; K393-V397 WeakPolarHBondContact O-CG2 3.32Å; K393-V397 PolarHBondContact O-N 2.89Å
394Q86.9Confident86.6Confident81 Ų8170.4 Ų70.438%0.37934%0.337SS..Hα-helixtrans-60.1-40.5173.2-69.1175-700111.2V388 T390 E391 V397 C398V388-Q394 HydrophobicContact CG1-CB 4.28Å; V388-Q394 HydrophobicContact CG1-CG 3.69Å; T390-Q394 PolarHBondContact O-N 3.44Å; E391-Q394 WeakPolarHBondContact O-CB 3.48Å; E391-Q394 PolarHBondContact O-N 3.39Å; E391-Q394 VanDerWaalsContact O-N 3.08Å; Q394-V397 PolarHBondContact O-N 3.23Å; Q394-C398 WeakPolarHBondContact O-CB 3.39Å; Q394-C398 PolarHBondContact O-N 3.45Å
395R91Very high87Confident43 Ų4365.4 Ų65.416%0.16232%0.319CS..Hα-helixtrans-63.7-45.5173.3-170.5179.6-179.681.1-2.8112.2L274 V277 T279 L282 E391 K392 K393 V397 C398 L399L274-R395 PolarHBondContact O-NH2 3.38Å; V277-R395 PolarHBondContact O-NH1 2.92Å; V277-R395 PolarHBondContact O-NH2 2.72Å; T279-R395 HydrophobicContact CG2-CB 4.22Å; L282-R395 HydrophobicContact CD1-CG 4.37Å; L282-R395 VanDerWaalsContact CD1-NH1 3.32Å; E391-R395 PolarHBondContact O-N 3.1Å; K392-R395 WeakPolarHBondContact O-CB 3.49Å; K392-R395 PolarHBondContact O-N 3.19Å; K393-R395 VanDerWaalsContact C-N 3.26Å; K393-R395 PolarHBondContact O-N 3.37Å; R395-V397 PolarHBondContact O-N 3.29Å; R395-C398 WeakPolarHBondContact O-CB 3.42Å; R395-C398 PolarHBondContact O-N 3.36Å; R395-C398 VanDerWaalsContact O-N 3.15Å; R395-L399 HydrophobicContact CG-CD1 4.5Å; R395-L399 WeakPolarHBondContact O-CG 3.39Å; R395-L399 PolarHBondContact O-N 2.73Å
396E91.2Very high87.7Confident92 Ų9261.1 Ų61.143%0.4329%0.291SS..Hα-helixtrans-58.1-45.3174.8-74.9169.7-174.900111.7K392 K393 C398 L399 D400K392-E396 WeakPolarHBondContact CE-OE1 3.2Å; K392-E396 WeakPolarHBondContact O-CG 3.38Å; K392-E396 PolarHBondContact O-N 3.03Å; K393-E396 PolarHBondContact O-N 2.95Å; E396-C398 VanDerWaalsContact C-N 3.33Å; E396-C398 PolarHBondContact O-N 3.44Å; E396-L399 PolarHBondContact O-N 3.47Å; E396-D400 WeakPolarHBondContact O-CB 3.48Å; E396-D400 PolarHBondContact O-N 2.89Å
397V90.9Very high88.3Confident24 Ų2456.4 Ų56.415%0.14527%0.269CS..Hα-helixtrans-60.4-43.1174177.30000111.4L378 L381 V388 K393 Q394 R395 L399 D400 E401L378-V397 HydrophobicContact CD2-CG1 3.91Å; L381-V397 HydrophobicContact CD1-CG2 3.47Å; L381-V397 VanDerWaalsContact CD1-CG2 3.47Å; V388-V397 HydrophobicContact CG1-CB 4.46Å; V388-V397 HydrophobicContact CG1-CG2 3.71Å; V388-V397 HydrophobicContact CG2-CG2 3.94Å; K393-V397 VanDerWaalsContact O-CG2 3.31Å; K393-V397 WeakPolarHBondContact O-CG2 3.32Å; K393-V397 PolarHBondContact O-N 2.89Å; Q394-V397 PolarHBondContact O-N 3.23Å; R395-V397 PolarHBondContact O-N 3.29Å; V397-L399 PolarHBondContact O-N 3.02Å; V397-D400 PolarHBondContact O-N 2.85Å; V397-E401 HydrophobicContact CG1-CG 4.37Å; V397-E401 WeakPolarHBondContact O-CB 3.22Å; V397-E401 WeakPolarHBondContact O-CG 3.38Å; V397-E401 PolarHBondContact O-N 3.27Å
398C90.6Very high88.8Confident2 Ų254.3 Ų54.31%0.01426%0.26CS..Hα-helixtrans-60.3-45.2177.8-173.50000111.8T279 R283 Q394 R395 E396 E401 L402T279-C398 HydrophobicContact CG2-CB 4.1Å; R283-C398 WeakPolarHBondContact CG-SG 3.41Å; Q394-C398 WeakPolarHBondContact O-CB 3.39Å; Q394-C398 PolarHBondContact O-N 3.45Å; R395-C398 WeakPolarHBondContact O-CB 3.42Å; R395-C398 PolarHBondContact O-N 3.36Å; R395-C398 VanDerWaalsContact O-N 3.15Å; E396-C398 VanDerWaalsContact C-N 3.33Å; E396-C398 PolarHBondContact O-N 3.44Å; C398-E401 PolarHBondContact O-N 2.86Å; C398-L402 WeakPolarHBondContact O-CG 3.31Å; C398-L402 PolarHBondContact O-N 2.94Å
399L93.1Very high89.5Confident22 Ų2253 Ų5312%0.11525%0.252CS..Hα-helixtrans-64.5-39.4176.9-67.9173.4000112L274 L282 I326 R395 E396 V397 L402 R403L274-L399 HydrophobicContact CD2-CD2 4.36Å; L282-L399 HydrophobicContact CD1-CD2 3.98Å; I326-L399 HydrophobicContact CD1-CD2 4.1Å; I326-L399 HydrophobicContact CG1-CD2 4.16Å; I326-L399 HydrophobicContact CG2-CD2 4.15Å; R395-L399 HydrophobicContact CG-CD1 4.5Å; R395-L399 WeakPolarHBondContact O-CG 3.39Å; R395-L399 PolarHBondContact O-N 2.73Å; E396-L399 PolarHBondContact O-N 3.47Å; V397-L399 PolarHBondContact O-N 3.02Å; L399-L402 HydrophobicContact CD2-CD1 4.44Å; L399-L402 PolarHBondContact O-N 3.4Å; L399-R403 WeakPolarHBondContact O-CG 3.38Å; L399-R403 PolarHBondContact O-N 3.27Å
400D92.4Very high90.1Very high23 Ų2346.7 Ų46.712%0.12322%0.219CC..Hα-helixtrans-65.8-39.4175.2-82-8.9000112.3L374 H377 L378 E396 V397 R403 L404L374-D400 HydrophobicContact CD1-CB 3.65Å; L374-D400 WeakPolarHBondContact CD2-O 3.18Å; H377-D400 IonicContact CD2-OD2 2.53Å; H377-D400 PolarHBondContact CD2-OD2 3.49Å; H377-D400 VanDerWaalsContact CD2-OD2 3.22Å; H377-D400 IonicContact NE2-OD2 2.97Å; L378-D400 HydrophobicContact CD1-CB 4.38Å; L378-D400 HydrophobicContact CD2-CB 3.76Å; L378-D400 HydrophobicContact CG-CB 4.21Å; E396-D400 WeakPolarHBondContact O-CB 3.48Å; E396-D400 PolarHBondContact O-N 2.89Å; V397-D400 PolarHBondContact O-N 2.85Å; D400-R403 PolarHBondContact O-N 3.37Å; D400-R403 IonicContact OD1-CZ 2.61Å; D400-R403 IonicContact OD1-NH1 3.53Å; D400-R403 PolarHBondContact OD1-NH1 2.92Å; D400-L404 PolarHBondContact O-N 3.4Å
401E91.3Very high90.1Very high35 Ų3546.9 Ų46.916%0.16422%0.217CC..Hα-helixtrans-63.7-43.1172.9-74-176.8154.100111.1R286 L378 K382 V397 C398 R403 L404 Y405R286-E401 IonicContact CZ-OE2 3.91Å; R286-E401 IonicContact NH1-OE2 3.1Å; R286-E401 PolarHBondContact NH1-OE2 3.3Å; R286-E401 IonicContact NH2-OE2 2.93Å; R286-E401 PolarHBondContact NH2-OE2 3.27Å; L378-E401 HydrophobicContact CD1-CG 3.9Å; L378-E401 HydrophobicContact CD2-CG 3.74Å; L378-E401 HydrophobicContact CG-CG 4.45Å; K382-E401 IonicContact NZ-OE1 3.27Å; V397-E401 HydrophobicContact CG1-CG 4.37Å; V397-E401 WeakPolarHBondContact O-CB 3.22Å; V397-E401 WeakPolarHBondContact O-CG 3.38Å; V397-E401 PolarHBondContact O-N 3.27Å; C398-E401 PolarHBondContact O-N 2.86Å; E401-R403 VanDerWaalsContact C-N 3.34Å; E401-R403 PolarHBondContact O-N 3.13Å; E401-L404 WeakPolarHBondContact O-CB 3.5Å; E401-L404 PolarHBondContact O-N 3.14Å; E401-L404 VanDerWaalsContact O-N 3.15Å; E401-Y405 WeakPolarHBondContact O-CD2 3.3Å; E401-Y405 PolarHBondContact O-N 3.25Å
402L92.6Very high90.3Very high0 Ų042.8 Ų42.80%020%0.198CC..Hα-helixtrans-61-41.2174.4-68.7171.8000112L282 L285 R286 Y317 M321 I326 C398 L399 L404 Y405 G406L282-L402 HydrophobicContact CB-CD1 4.38Å; L285-L402 HydrophobicContact CB-CD2 3.8Å; L285-L402 HydrophobicContact CD1-CD1 4.01Å; R286-L402 HydrophobicContact CG-CD2 3.6Å; Y317-L402 HydrophobicContact CE2-CD2 4.38Å; Y317-L402 WeakPolarHBondContact OH-CA 3.45Å; Y317-L402 PolarHBondContact OH-O 3.48Å; M321-L402 VanDerWaalsContact CE-C 3.47Å; M321-L402 HydrophobicContact CE-CB 3.69Å; M321-L402 VanDerWaalsContact CE-O 3.27Å; M321-L402 WeakPolarHBondContact CE-O 3.27Å; M321-L402 HydrophobicContact SD-CB 3.98Å; I326-L402 HydrophobicContact CD1-CD1 4.26Å; I326-L402 HydrophobicContact CG2-CB 4.2Å; C398-L402 WeakPolarHBondContact O-CG 3.31Å; C398-L402 PolarHBondContact O-N 2.94Å; L399-L402 HydrophobicContact CD2-CD1 4.44Å; L399-L402 PolarHBondContact O-N 3.4Å; L402-L404 VanDerWaalsContact C-N 3.31Å; L402-L404 PolarHBondContact O-N 3.19Å; L402-Y405 PolarHBondContact O-N 3.39Å; L402-G406 PolarHBondContact O-N 3.47Å
403R93.5Very high90.4Very high80 Ų8035.5 Ų35.530%0.30217%0.167SC..Hα-helixtrans-61.5-39.4173.6-74.1170.9-1691314.6112.3I326 L374 L399 D400 E401 Y405 G406 F407I326-R403 HydrophobicContact CG2-CG 4.05Å; I326-R403 WeakPolarHBondContact O-CG 3.47Å; I326-R403 PolarHBondContact O-NE 3.5Å; L374-R403 HydrophobicContact CD2-CB 3.56Å; L399-R403 WeakPolarHBondContact O-CG 3.38Å; L399-R403 PolarHBondContact O-N 3.27Å; D400-R403 PolarHBondContact O-N 3.37Å; D400-R403 IonicContact OD1-CZ 2.61Å; D400-R403 IonicContact OD1-NH1 3.53Å; D400-R403 PolarHBondContact OD1-NH1 2.92Å; E401-R403 VanDerWaalsContact C-N 3.34Å; E401-R403 PolarHBondContact O-N 3.13Å; R403-Y405 VanDerWaalsContact C-N 3.35Å; R403-G406 WeakPolarHBondContact O-CA 3.28Å; R403-G406 PolarHBondContact O-N 2.88Å; R403-G406 VanDerWaalsContact O-N 3.09Å; R403-F407 VanDerWaalsContact O-CD2 3.26Å; R403-F407 WeakPolarHBondContact O-CD2 3.32Å; R403-F407 PolarHBondContact O-N 3.2Å; R403-F407 VanDerWaalsContact O-N 3.16Å
404L91Very high90.4Very high30 Ų3032.7 Ų32.716%0.15716%0.16CC..Hα-helixtrans-61.9-44.6176.5-17273.6000110.8Y371 L374 K375 L378 D400 E401 L402 G406 F407 C408Y371-L404 HydrophobicContact CD2-CD1 3.67Å; Y371-L404 HydrophobicContact CE2-CD1 3.46Å; Y371-L404 VanDerWaalsContact CE2-CD1 3.46Å; Y371-L404 HydrophobicContact CE2-CG 4.19Å; Y371-L404 HydrophobicContact CG-CD1 4.5Å; L374-L404 HydrophobicContact CD2-CB 4.05Å; L374-L404 HydrophobicContact CD2-CD1 4.43Å; L374-L404 HydrophobicContact CG-CD1 4.48Å; K375-L404 HydrophobicContact CB-CD1 4Å; L378-L404 HydrophobicContact CD1-CB 4.1Å; L378-L404 HydrophobicContact CD1-CD2 3.9Å; D400-L404 PolarHBondContact O-N 3.4Å; E401-L404 WeakPolarHBondContact O-CB 3.5Å; E401-L404 PolarHBondContact O-N 3.14Å; E401-L404 VanDerWaalsContact O-N 3.15Å; L402-L404 VanDerWaalsContact C-N 3.31Å; L402-L404 PolarHBondContact O-N 3.19Å; L404-G406 VanDerWaalsContact C-N 3.29Å; L404-G406 PolarHBondContact O-N 3.13Å; L404-F407 PolarHBondContact O-N 3.45Å; L404-C408 PolarHBondContact O-N 2.83Å
405Y90.4Very high90.3Very high46 Ų4633.5 Ų33.518%0.1817%0.166CC..Hα-helixtrans-61.5-36.9171.1-87-85.2000112.1R286 A289 Y290 L293 Y317 E401 L402 R403 F407 C408 V409R286-Y405 HydrophobicContact CG-CD2 4.43Å; A289-Y405 HydrophobicContact CB-CD1 3.87Å; A289-Y405 HydrophobicContact CB-CG 4.49Å; Y290-Y405 HydrophobicContact CD1-CE1 4.21Å; Y290-Y405 AromaticContact CE1-CE1 3.86Å; Y290-Y405 HydrophobicContact CE1-CE1 3.86Å; Y290-Y405 AromaticContact CE1-CZ 3.73Å; Y290-Y405 WeakPolarHBondContact CE1-OH 3.26Å; Y290-Y405 AromaticContact CZ-CZ 3.6Å; Y290-Y405 PolarHBondContact OH-OH 3.46Å; L293-Y405 HydrophobicContact CD1-CD1 4.26Å; L293-Y405 HydrophobicContact CD1-CE1 4.14Å; Y317-Y405 VanDerWaalsContact OH-CB 3.22Å; Y317-Y405 WeakPolarHBondContact OH-CB 3.47Å; E401-Y405 WeakPolarHBondContact O-CD2 3.3Å; E401-Y405 PolarHBondContact O-N 3.25Å; L402-Y405 PolarHBondContact O-N 3.39Å; R403-Y405 VanDerWaalsContact C-N 3.35Å; Y405-F407 VanDerWaalsContact C-N 3.31Å; Y405-F407 PolarHBondContact O-N 3.26Å; Y405-C408 PolarHBondContact O-N 3Å; Y405-C408 VanDerWaalsContact O-N 3.17Å; Y405-V409 WeakPolarHBondContact O-CB 3.29Å; Y405-V409 VanDerWaalsContact O-CG2 3.27Å; Y405-V409 WeakPolarHBondContact O-CG2 3.4Å; Y405-V409 PolarHBondContact O-N 3.04Å
406G92.4Very high90.2Very high0 Ų031.6 Ų31.60%016%0.16CC..Hα-helixtrans-53.5-45.6174.500000113F327 L402 R403 L404 L410F327-G406 VanDerWaalsContact CE1-C 3.44Å; F327-G406 WeakPolarHBondContact CE1-O 3.24Å; L402-G406 PolarHBondContact O-N 3.47Å; R403-G406 WeakPolarHBondContact O-CA 3.28Å; R403-G406 PolarHBondContact O-N 2.88Å; R403-G406 VanDerWaalsContact O-N 3.09Å; L404-G406 VanDerWaalsContact C-N 3.29Å; L404-G406 PolarHBondContact O-N 3.13Å; G406-L410 WeakPolarHBondContact O-CB 3.47Å; G406-L410 PolarHBondContact O-N 2.96Å
407F89.7Confident90.2Very high16 Ų1628.1 Ų28.17%0.0714%0.144CC..Hα-helixtrans-64.3-46.9174.7-70.2-64.2000112.7F327 R367 N370 Y371 L374 R403 L404 Y405 L410 D411F327-F407 AromaticContact CE2-CD1 3.54Å; F327-F407 HydrophobicContact CE2-CD1 3.54Å; F327-F407 AromaticContact CE2-CD2 3.95Å; F327-F407 HydrophobicContact CE2-CD2 3.95Å; F327-F407 AromaticContact CE2-CE1 3.47Å; F327-F407 HydrophobicContact CE2-CE1 3.47Å; F327-F407 VanDerWaalsContact CE2-CE1 3.47Å; F327-F407 AromaticContact CE2-CE2 3.87Å; F327-F407 HydrophobicContact CE2-CE2 3.87Å; F327-F407 AromaticContact CE2-CG 3.8Å; F327-F407 HydrophobicContact CE2-CG 3.8Å; F327-F407 AromaticContact CE2-CZ 3.64Å; F327-F407 HydrophobicContact CE2-CZ 3.64Å; F327-F407 AromaticContact CZ-CD1 3.61Å; F327-F407 HydrophobicContact CZ-CD1 3.61Å; F327-F407 AromaticContact CZ-CE1 3.87Å; F327-F407 HydrophobicContact CZ-CE1 3.87Å; F327-F407 HydrophobicContact CZ-CG 4.03Å; F327-F407 HydrophobicContact CZ-CZ 4.48Å; R367-F407 HydrophobicContact CG-CD1 3.35Å; R367-F407 HydrophobicContact CG-CE1 3.57Å; N370-F407 HydrophobicContact CB-CE1 4.21Å; N370-F407 HydrophobicContact CB-CE2 4.33Å; N370-F407 HydrophobicContact CB-CZ 3.59Å; Y371-F407 HydrophobicContact CD2-CB 3.63Å; Y371-F407 HydrophobicContact CD2-CD2 4.14Å; Y371-F407 HydrophobicContact CD2-CG 4.1Å; Y371-F407 HydrophobicContact CE2-CB 4.4Å; Y371-F407 HydrophobicContact CG-CB 4.48Å; L374-F407 HydrophobicContact CD2-CD2 4.26Å; L374-F407 HydrophobicContact CD2-CE2 3.97Å; R403-F407 VanDerWaalsContact O-CD2 3.26Å; R403-F407 WeakPolarHBondContact O-CD2 3.32Å; R403-F407 PolarHBondContact O-N 3.2Å; R403-F407 VanDerWaalsContact O-N 3.16Å; L404-F407 PolarHBondContact O-N 3.45Å; Y405-F407 VanDerWaalsContact C-N 3.31Å; Y405-F407 PolarHBondContact O-N 3.26Å; F407-L410 PolarHBondContact O-N 2.66Å; F407-D411 PolarHBondContact O-N 2.98Å
408C87.5Confident89.8Confident27 Ų2731.8 Ų31.818%0.18216%0.162CC..Hα-helixtrans-62.5-46.6179.7-63.80000111.9L404 Y405 L410 D411 E412L404-C408 PolarHBondContact O-N 2.83Å; Y405-C408 PolarHBondContact O-N 3Å; Y405-C408 VanDerWaalsContact O-N 3.17Å; C408-L410 VanDerWaalsContact C-N 3.3Å; C408-L410 PolarHBondContact O-N 3.18Å; C408-D411 PolarHBondContact O-N 2.62Å; C408-E412 VanDerWaalsContact O-CB 3.31Å; C408-E412 WeakPolarHBondContact O-CB 3.39Å; C408-E412 PolarHBondContact O-N 2.87Å
409V91.2Very high89.6Confident0 Ų034.1 Ų34.10%018%0.176CC..Hα-helixtrans-64.5-36.4180167.70000111.2A289 L314 Y317 L318 Y405 L413A289-V409 HydrophobicContact CB-CG2 3.59Å; L314-V409 HydrophobicContact CB-CG1 3.84Å; L314-V409 HydrophobicContact CD2-CB 4.12Å; L314-V409 HydrophobicContact CD2-CG1 3.61Å; L314-V409 HydrophobicContact CD2-CG2 3.84Å; L314-V409 HydrophobicContact CG-CG1 4.27Å; Y317-V409 HydrophobicContact CD1-CB 3.96Å; Y317-V409 HydrophobicContact CD1-CG1 3.85Å; Y317-V409 HydrophobicContact CD1-CG2 3.77Å; Y317-V409 HydrophobicContact CE1-CB 4.33Å; Y317-V409 HydrophobicContact CE1-CG2 4.04Å; L318-V409 HydrophobicContact CD1-CG1 4.03Å; L318-V409 HydrophobicContact CD2-CB 4.34Å; L318-V409 HydrophobicContact CD2-CG1 3.93Å; L318-V409 HydrophobicContact CG-CG1 3.65Å; Y405-V409 WeakPolarHBondContact O-CB 3.29Å; Y405-V409 VanDerWaalsContact O-CG2 3.27Å; Y405-V409 WeakPolarHBondContact O-CG2 3.4Å; Y405-V409 PolarHBondContact O-N 3.04Å; V409-L413 WeakPolarHBondContact O-CB 3.49Å; V409-L413 PolarHBondContact O-N 3.36Å
410L89.8Confident89.4Confident1 Ų135 Ų351%0.00518%0.178CC..Hα-helixtrans-62.8-48.9177.8-178.867.8000112L318 F327 D329 I332 L335 R367 G406 F407 C408 A414L318-L410 HydrophobicContact CD1-CD1 4.14Å; F327-L410 HydrophobicContact CE1-CB 4.47Å; F327-L410 HydrophobicContact CE1-CD2 4.26Å; F327-L410 HydrophobicContact CZ-CD2 4.23Å; D329-L410 HydrophobicContact CB-CD2 3.76Å; I332-L410 HydrophobicContact CB-CD1 4.44Å; I332-L410 HydrophobicContact CG1-CD1 3.81Å; L335-L410 HydrophobicContact CD1-CD1 3.48Å; L335-L410 VanDerWaalsContact CD1-CD1 3.48Å; L335-L410 HydrophobicContact CD1-CG 4.36Å; R367-L410 VanDerWaalsContact NE-CD2 3.33Å; G406-L410 WeakPolarHBondContact O-CB 3.47Å; G406-L410 PolarHBondContact O-N 2.96Å; F407-L410 PolarHBondContact O-N 2.66Å; C408-L410 VanDerWaalsContact C-N 3.3Å; C408-L410 PolarHBondContact O-N 3.18Å; L410-A414 PolarHBondContact O-N 3.15Å
411D86Confident89.2Confident76 Ų7636.6 Ų36.641%0.40619%0.191SC..Hα-helixtrans-68.9-40.4179.2-67.4-18000110.6R367 F407 C408 A414 L415R367-D411 IonicContact CZ-OD1 3.89Å; R367-D411 IonicContact NH1-OD1 2.89Å; R367-D411 PolarHBondContact NH1-OD1 2.67Å; F407-D411 PolarHBondContact O-N 2.98Å; C408-D411 PolarHBondContact O-N 2.62Å; D411-A414 PolarHBondContact O-N 2.92Å; D411-L415 WeakPolarHBondContact O-CG 3.5Å; D411-L415 PolarHBondContact O-N 3.25Å; D411-L415 VanDerWaalsContact O-N 3.11Å
412E87.9Confident88.7Confident56 Ų5640.4 Ų40.426%0.26221%0.212SC..Hα-helixtrans-67-38.4177.6-164.272.1-170.600112.4L293 T296 L314 C408 A414 L415 A416L293-E412 HydrophobicContact CD2-CB 3.74Å; L293-E412 HydrophobicContact CD2-CG 3.68Å; T296-E412 WeakPolarHBondContact CB-OE1 3.24Å; T296-E412 HydrophobicContact CG2-CG 3.86Å; T296-E412 PolarHBondContact OG1-OE1 2.88Å; L314-E412 HydrophobicContact CD1-CB 4.41Å; L314-E412 HydrophobicContact CD1-CG 4.25Å; C408-E412 VanDerWaalsContact O-CB 3.31Å; C408-E412 WeakPolarHBondContact O-CB 3.39Å; C408-E412 PolarHBondContact O-N 2.87Å; E412-A414 VanDerWaalsContact C-N 3.32Å; E412-A414 PolarHBondContact O-N 3.17Å; E412-L415 PolarHBondContact O-N 3.41Å; E412-A416 VanDerWaalsContact O-CB 3.24Å; E412-A416 WeakPolarHBondContact O-CB 3.08Å; E412-A416 PolarHBondContact O-N 3.43Å
413L91.6Very high88.4Confident0 Ų042.2 Ų42.20%022%0.222CC..Hα-helixtrans-62.5-41.3176.8175.459.8000111.2I311 L314 K315 L318 L335 V409 A416 K417I311-L413 HydrophobicContact CB-CD1 4.35Å; I311-L413 HydrophobicContact CG1-CD1 4.32Å; I311-L413 HydrophobicContact CG2-CD1 4.03Å; L314-L413 HydrophobicContact CB-CB 4.17Å; L314-L413 HydrophobicContact CB-CD1 4.07Å; L314-L413 HydrophobicContact CD1-CB 4.21Å; K315-L413 HydrophobicContact CG-CD1 4.07Å; K315-L413 HydrophobicContact CG-CD2 4Å; L318-L413 HydrophobicContact CD1-CD2 3.67Å; L335-L413 HydrophobicContact CB-CD2 3.89Å; L335-L413 HydrophobicContact CB-CG 4.45Å; V409-L413 WeakPolarHBondContact O-CB 3.49Å; V409-L413 PolarHBondContact O-N 3.36Å; L413-A416 PolarHBondContact O-N 2.97Å; L413-K417 HydrophobicContact CD1-CG 4.29Å; L413-K417 WeakPolarHBondContact O-CB 3.29Å; L413-K417 WeakPolarHBondContact O-CG 3.33Å; L413-K417 PolarHBondContact O-N 3.21Å
414A87.4Confident88.1Confident32 Ų3242.8 Ų42.826%0.26423%0.228SC..Hα-helixtrans-61.6-47.6175.600000110.9L335 L410 D411 E412 K417 D418L335-A414 HydrophobicContact CD1-CB 4.24Å; L335-A414 HydrophobicContact CD2-CB 4.15Å; L410-A414 PolarHBondContact O-N 3.15Å; D411-A414 PolarHBondContact O-N 2.92Å; E412-A414 VanDerWaalsContact C-N 3.32Å; E412-A414 PolarHBondContact O-N 3.17Å; A414-K417 PolarHBondContact O-N 3.08Å; A414-D418 PolarHBondContact O-N 3.35Å; A414-D418 VanDerWaalsContact O-N 3.08Å
415L85.5Confident87.7Confident98 Ų9846 Ų4651%0.51324%0.244SC..Hα-helixtrans-62.5-44.5176.4-68.7171.4000112.3D411 E412 K417 D418 V419D411-L415 WeakPolarHBondContact O-CG 3.5Å; D411-L415 PolarHBondContact O-N 3.25Å; D411-L415 VanDerWaalsContact O-N 3.11Å; E412-L415 PolarHBondContact O-N 3.41Å; L415-K417 PolarHBondContact O-N 3.45Å; L415-D418 PolarHBondContact O-N 3Å; L415-V419 WeakPolarHBondContact O-CB 3.47Å; L415-V419 VanDerWaalsContact O-CG2 3.27Å; L415-V419 WeakPolarHBondContact O-CG2 3.42Å; L415-V419 PolarHBondContact O-N 3.41Å
416A88.9Confident87.1Confident3 Ų349.5 Ų49.53%0.02526%0.262CS..Hα-helixtrans-62.1-42.6179.700000111.7T296 L307 I311 L314 E412 L413 Y420T296-A416 HydrophobicContact CG2-CB 3.9Å; L307-A416 HydrophobicContact CD2-CB 4.11Å; I311-A416 HydrophobicContact CG1-CB 4.02Å; L314-A416 HydrophobicContact CD1-CB 4.46Å; E412-A416 VanDerWaalsContact O-CB 3.24Å; E412-A416 WeakPolarHBondContact O-CB 3.08Å; E412-A416 PolarHBondContact O-N 3.43Å; L413-A416 PolarHBondContact O-N 2.97Å; A416-Y420 WeakPolarHBondContact O-CB 3.3Å; A416-Y420 PolarHBondContact O-N 3.47Å
417K89.9Confident86.7Confident20 Ų2053.9 Ų53.99%0.08728%0.283CS..Hα-helixtrans-61.5-44.4173.6-80.9-168.5166.3-1520112.2I311 L335 I337 D339 L413 A414 L415 S421I311-K417 HydrophobicContact CD1-CG 4.21Å; I311-K417 HydrophobicContact CG1-CG 4.36Å; L335-K417 HydrophobicContact CD2-CD 4.35Å; L335-K417 WeakPolarHBondContact O-CE 3.46Å; L335-K417 PolarHBondContact O-NZ 3.21Å; I337-K417 PolarHBondContact O-NZ 2.92Å; I337-K417 VanDerWaalsContact O-NZ 3.08Å; D339-K417 IonicContact OD2-NZ 3.22Å; D339-K417 PolarHBondContact OD2-NZ 3.46Å; L413-K417 HydrophobicContact CD1-CG 4.29Å; L413-K417 WeakPolarHBondContact O-CB 3.29Å; L413-K417 WeakPolarHBondContact O-CG 3.33Å; L413-K417 PolarHBondContact O-N 3.21Å; A414-K417 PolarHBondContact O-N 3.08Å; L415-K417 PolarHBondContact O-N 3.45Å; K417-S421 WeakPolarHBondContact O-CB 3.41Å; K417-S421 PolarHBondContact O-N 2.9Å; K417-S421 PolarHBondContact O-OG 3.28Å
418D84Confident86.4Confident101 Ų10155.6 Ų55.654%0.5430%0.3SS..Hα-helixtrans-63.4-47.9178-73.9-14.3000111.3A414 L415 S421 L422A414-D418 PolarHBondContact O-N 3.35Å; A414-D418 VanDerWaalsContact O-N 3.08Å; L415-D418 PolarHBondContact O-N 3Å; D418-S421 PolarHBondContact O-N 3.35Å; D418-L422 WeakPolarHBondContact O-CG 3.41Å; D418-L422 PolarHBondContact O-N 2.97Å
419V84.8Confident86.2Confident50 Ų5058.2 Ų58.230%0.30331%0.311SS..Hα-helixtrans-64.5-42.8178.6176.10000111.2L307 L415 S421 L422 L423L307-V419 HydrophobicContact CD1-CB 4.29Å; L307-V419 HydrophobicContact CD1-CG1 3.67Å; L415-V419 WeakPolarHBondContact O-CB 3.47Å; L415-V419 VanDerWaalsContact O-CG2 3.27Å; L415-V419 WeakPolarHBondContact O-CG2 3.42Å; L415-V419 PolarHBondContact O-N 3.41Å; V419-S421 VanDerWaalsContact C-N 3.33Å; V419-S421 PolarHBondContact O-N 3.45Å; V419-L422 PolarHBondContact O-N 3.22Å; V419-L423 HydrophobicContact CG1-CD1 3.98Å; V419-L423 HydrophobicContact CG1-CG 4.41Å; V419-L423 WeakPolarHBondContact O-CG 3.2Å; V419-L423 PolarHBondContact O-N 3.16Å
420Y89.6Confident85.7Confident41 Ų4161.8 Ų61.816%0.16133%0.333CS..Hα-helixtrans-59.3-44.9175.9180-98.9000111.4V304 L307 E308 I311 A416 L422 L423 Q424V304-Y420 HydrophobicContact CG1-CD2 4.33Å; V304-Y420 HydrophobicContact CG1-CE2 3.74Å; L307-Y420 HydrophobicContact CB-CD2 3.92Å; E308-Y420 HydrophobicContact CB-CE2 3.9Å; I311-Y420 HydrophobicContact CD1-CD1 4.3Å; I311-Y420 HydrophobicContact CD1-CD2 4.45Å; I311-Y420 HydrophobicContact CD1-CG 3.96Å; A416-Y420 WeakPolarHBondContact O-CB 3.3Å; A416-Y420 PolarHBondContact O-N 3.47Å; Y420-L422 VanDerWaalsContact C-N 3.34Å; Y420-L422 PolarHBondContact O-N 3.1Å; Y420-L423 PolarHBondContact O-N 3.08Å; Y420-Q424 HydrophobicContact CD1-CG 4.35Å; Y420-Q424 HydrophobicContact CE1-CG 4.05Å; Y420-Q424 WeakPolarHBondContact O-CG 3.28Å; Y420-Q424 PolarHBondContact O-N 2.77Å; Y420-Q424 PolarHBondContact OH-NE2 2.9Å
421S87.3Confident85.3Confident57 Ų5766.7 Ų66.740%0.39936%0.356SS..Hα-helixtrans-62.1-40.9176.9-56.80000112K417 D418 V419 Q424 I425K417-S421 WeakPolarHBondContact O-CB 3.41Å; K417-S421 PolarHBondContact O-N 2.9Å; K417-S421 PolarHBondContact O-OG 3.28Å; D418-S421 PolarHBondContact O-N 3.35Å; V419-S421 VanDerWaalsContact C-N 3.33Å; V419-S421 PolarHBondContact O-N 3.45Å; S421-Q424 PolarHBondContact O-N 3.01Å; S421-I425 WeakPolarHBondContact O-CD1 3.32Å; S421-I425 VanDerWaalsContact O-CG1 3.3Å; S421-I425 WeakPolarHBondContact O-CG1 3.34Å; S421-I425 PolarHBondContact O-N 3.41Å; S421-I425 VanDerWaalsContact O-N 3.14Å
422L82.5Confident85Confident115 Ų11569.2 Ų69.260%0.60237%0.365SS*.Hα-helixtrans-64.8-43.4176.5-72172.3000112.2D418 V419 Y420 I425 E426D418-L422 WeakPolarHBondContact O-CG 3.41Å; D418-L422 PolarHBondContact O-N 2.97Å; V419-L422 PolarHBondContact O-N 3.22Å; Y420-L422 VanDerWaalsContact C-N 3.34Å; Y420-L422 PolarHBondContact O-N 3.1Å; L422-I425 PolarHBondContact O-N 3.4Å; L422-E426 PolarHBondContact O-N 3.47Å
423L85.5Confident84.6Confident38 Ų3871.9 Ų71.920%0.19938%0.377CS..Hα-helixtrans-67.1-36.1178-71.1170.2000112.3R303 V304 L307 V419 Y420 I425 E426 Q427R303-L423 HydrophobicContact CB-CD1 4.16Å; R303-L423 HydrophobicContact CG-CD1 3.45Å; R303-L423 VanDerWaalsContact CG-CD1 3.45Å; V304-L423 HydrophobicContact CG2-CB 4.02Å; V304-L423 HydrophobicContact CG2-CD1 4.44Å; L307-L423 HydrophobicContact CD1-CD1 3.55Å; V419-L423 HydrophobicContact CG1-CD1 3.98Å; V419-L423 HydrophobicContact CG1-CG 4.41Å; V419-L423 WeakPolarHBondContact O-CG 3.2Å; V419-L423 PolarHBondContact O-N 3.16Å; Y420-L423 PolarHBondContact O-N 3.08Å; L423-I425 VanDerWaalsContact C-N 3.33Å; L423-E426 PolarHBondContact O-N 3.22Å; L423-Q427 WeakPolarHBondContact O-CB 3.19Å; L423-Q427 PolarHBondContact O-N 2.78Å
424Q86.8Confident84Confident91 Ų9175.2 Ų75.243%0.42540%0.398SS..Hα-helixtrans-62.2-40.8172.4-76.3-169.5-24.600112Y420 S421 A428Y420-Q424 HydrophobicContact CD1-CG 4.35Å; Y420-Q424 HydrophobicContact CE1-CG 4.05Å; Y420-Q424 WeakPolarHBondContact O-CG 3.28Å; Y420-Q424 PolarHBondContact O-N 2.77Å; Y420-Q424 PolarHBondContact OH-NE2 2.9Å; S421-Q424 PolarHBondContact O-N 3.01Å; Q424-A428 WeakPolarHBondContact O-CB 3.13Å; Q424-A428 PolarHBondContact O-N 2.65Å
425I82.2Confident83.7Confident99 Ų9978.3 Ų78.351%0.50841%0.409SS..Hα-helixtrans-65.2-44.7175.4-67164.2000110.4S421 L422 L423 Q427 A428 I429S421-I425 WeakPolarHBondContact O-CD1 3.32Å; S421-I425 VanDerWaalsContact O-CG1 3.3Å; S421-I425 WeakPolarHBondContact O-CG1 3.34Å; S421-I425 PolarHBondContact O-N 3.41Å; S421-I425 VanDerWaalsContact O-N 3.14Å; L422-I425 PolarHBondContact O-N 3.4Å; L423-I425 VanDerWaalsContact C-N 3.33Å; I425-Q427 PolarHBondContact O-N 3.03Å; I425-A428 PolarHBondContact O-N 3.26Å; I425-I429 HydrophobicContact CG2-CD1 3.91Å; I425-I429 VanDerWaalsContact O-CG1 3.3Å; I425-I429 WeakPolarHBondContact O-CG1 3.41Å; I425-I429 PolarHBondContact O-N 2.86Å
426E79.4Confident83.3Confident119 Ų11978.4 Ų78.456%0.55641%0.409SS*.Hα-helixtrans-60.3-45.5177.4-174.6174.3-16900111.6L422 L423 A428 I429 V430L422-E426 PolarHBondContact O-N 3.47Å; L423-E426 PolarHBondContact O-N 3.22Å; E426-A428 PolarHBondContact O-N 3.44Å; E426-I429 PolarHBondContact O-N 2.89Å; E426-V430 WeakPolarHBondContact O-CG2 3.43Å; E426-V430 PolarHBondContact O-N 3.32Å
427Q83.7Confident82.8Confident92 Ų9282.3 Ų82.343%0.4343%0.43SS..Hα-helixtrans-60.5-44.5176.1-175.7176.4-11.800111.7L423 I425 I429 V430 E431L423-Q427 WeakPolarHBondContact O-CB 3.19Å; L423-Q427 PolarHBondContact O-N 2.78Å; I425-Q427 PolarHBondContact O-N 3.03Å; Q427-I429 VanDerWaalsContact C-N 3.31Å; Q427-I429 PolarHBondContact O-N 3.09Å; Q427-V430 PolarHBondContact O-N 3.37Å; Q427-E431 PolarHBondContact NE2-OE1 2.56Å; Q427-E431 VanDerWaalsContact NE2-OE1 3.08Å; Q427-E431 WeakPolarHBondContact O-CG 3.41Å; Q427-E431 PolarHBondContact O-N 2.97Å
428A83.8Confident82.4Confident52 Ų5287.2 Ų87.243%0.4345%0.453SS..Hα-helixtrans-61.3-38.2176.700000112.5Q424 I425 E426 E431 E432Q424-A428 WeakPolarHBondContact O-CB 3.13Å; Q424-A428 PolarHBondContact O-N 2.65Å; I425-A428 PolarHBondContact O-N 3.26Å; E426-A428 PolarHBondContact O-N 3.44Å; A428-E431 PolarHBondContact O-N 3.2Å; A428-E432 WeakPolarHBondContact O-CB 3.34Å; A428-E432 PolarHBondContact O-N 3.12Å
429I82Confident82.2Confident82 Ų8287.4 Ų87.442%0.42145%0.454SS..Hα-helixtrans-65.6-42.5175.4-68.4165.4000110.9I425 E426 Q427 E432 Q433I425-I429 HydrophobicContact CG2-CD1 3.91Å; I425-I429 VanDerWaalsContact O-CG1 3.3Å; I425-I429 WeakPolarHBondContact O-CG1 3.41Å; I425-I429 PolarHBondContact O-N 2.86Å; E426-I429 PolarHBondContact O-N 2.89Å; Q427-I429 VanDerWaalsContact C-N 3.31Å; Q427-I429 PolarHBondContact O-N 3.09Å; I429-E432 PolarHBondContact O-N 3.08Å; I429-Q433 VanDerWaalsContact O-CG 3.32Å; I429-Q433 WeakPolarHBondContact O-CG 3.49Å; I429-Q433 PolarHBondContact O-N 2.89Å
430V81.2Confident81.8Confident75 Ų7589.9 Ų89.946%0.45546%0.464SS..Hα-helixtrans-64.2-44.2177.5172.70000110.8E426 Q427 E432 Q433 V434E426-V430 WeakPolarHBondContact O-CG2 3.43Å; E426-V430 PolarHBondContact O-N 3.32Å; Q427-V430 PolarHBondContact O-N 3.37Å; V430-E432 PolarHBondContact O-N 2.78Å; V430-Q433 PolarHBondContact O-N 3.33Å; V430-V434 WeakPolarHBondContact O-CG2 2.94Å; V430-V434 PolarHBondContact O-N 3.43Å
431E81Confident81.1Confident104 Ų10496.3 Ų96.349%0.48649%0.493SS..Hα-helixtrans-59.9-44.4175.6-73.1175.4-168.700111.6Q427 A428 Q433 V434 I435Q427-E431 PolarHBondContact NE2-OE1 2.56Å; Q427-E431 VanDerWaalsContact NE2-OE1 3.08Å; Q427-E431 WeakPolarHBondContact O-CG 3.41Å; Q427-E431 PolarHBondContact O-N 2.97Å; A428-E431 PolarHBondContact O-N 3.2Å; E431-Q433 PolarHBondContact O-N 3.41Å; E431-V434 PolarHBondContact O-N 3.13Å; E431-I435 VanDerWaalsContact O-CG1 3.3Å; E431-I435 WeakPolarHBondContact O-CG1 3.32Å; E431-I435 PolarHBondContact O-N 3.39Å
432E80.1Confident80.5Confident128 Ų12897.7 Ų97.760%0.59850%0.503SS*.Hα-helixtrans-61.8-41.6175.4-169.5177.1-172.800111.8A428 I429 V430 I435 L436A428-E432 WeakPolarHBondContact O-CB 3.34Å; A428-E432 PolarHBondContact O-N 3.12Å; I429-E432 PolarHBondContact O-N 3.08Å; V430-E432 PolarHBondContact O-N 2.78Å; E432-I435 PolarHBondContact O-N 3.35Å; E432-L436 WeakPolarHBondContact O-CB 3.33Å; E432-L436 PolarHBondContact O-N 3.06Å
433Q78.5Confident79.7Confident112 Ų11297.4 Ų97.452%0.52350%0.501SS..Hα-helixtrans-64.7-38175.6-74.3177.914.900112.8I429 V430 E431 L436 N437I429-Q433 VanDerWaalsContact O-CG 3.32Å; I429-Q433 WeakPolarHBondContact O-CG 3.49Å; I429-Q433 PolarHBondContact O-N 2.89Å; V430-Q433 PolarHBondContact O-N 3.33Å; E431-Q433 PolarHBondContact O-N 3.41Å; Q433-L436 PolarHBondContact O-N 3.05Å; Q433-N437 WeakPolarHBondContact O-CB 3.46Å; Q433-N437 VanDerWaalsContact O-CG 3.28Å; Q433-N437 PolarHBondContact O-N 3.18Å; Q433-N437 PolarHBondContact O-ND2 3.19Å
434V79.8Confident78Confident70 Ų70100.7 Ų100.742%0.42453%0.525SS..Hα-helixtrans-64.1-47.6175.41710000110.1V430 E431 L436 N437 E438V430-V434 WeakPolarHBondContact O-CG2 2.94Å; V430-V434 PolarHBondContact O-N 3.43Å; E431-V434 PolarHBondContact O-N 3.13Å; V434-L436 VanDerWaalsContact C-N 3.31Å; V434-L436 PolarHBondContact O-N 3.21Å; V434-N437 PolarHBondContact O-N 2.95Å; V434-E438 HydrophobicContact CG1-CG 4.49Å; V434-E438 WeakPolarHBondContact O-CG 3.39Å; V434-E438 PolarHBondContact O-N 3.11Å
435I81.6Confident76.3Confident98 Ų98104.2 Ų104.250%0.50355%0.547SS..Hα-helixtrans-58-45175.9-66.6164.6000110.4E431 E432 N437 E438 L439E431-I435 VanDerWaalsContact O-CG1 3.3Å; E431-I435 WeakPolarHBondContact O-CG1 3.32Å; E431-I435 PolarHBondContact O-N 3.39Å; E432-I435 PolarHBondContact O-N 3.35Å; I435-N437 VanDerWaalsContact C-N 3.34Å; I435-N437 PolarHBondContact O-N 3.19Å; I435-E438 PolarHBondContact O-N 2.88Å; I435-L439 HydrophobicContact CG2-CD1 3.95Å; I435-L439 HydrophobicContact CG2-CG 4.42Å; I435-L439 WeakPolarHBondContact O-CB 3.43Å; I435-L439 VanDerWaalsContact O-CG 3.27Å; I435-L439 WeakPolarHBondContact O-CG 3.38Å; I435-L439 PolarHBondContact O-N 3.47Å
436L77.3Confident74.3Confident99 Ų99104.1 Ų104.152%0.51856%0.555SS.*Hα-helixtrans-63.4-40179.5-148.6120.3000111.8E432 Q433 V434 L440E432-L436 WeakPolarHBondContact O-CB 3.33Å; E432-L436 PolarHBondContact O-N 3.06Å; Q433-L436 PolarHBondContact O-N 3.05Å; V434-L436 VanDerWaalsContact C-N 3.31Å; V434-L436 PolarHBondContact O-N 3.21Å; L436-L440 HydrophobicContact CD2-CD1 4.09Å; L436-L440 WeakPolarHBondContact O-CB 3.42Å; L436-L440 PolarHBondContact O-N 2.87Å
437N77.2Confident72.6Confident86 Ų86103.5 Ų103.546%0.4656%0.561SS.*Hα-helixtrans-68.8-37.9176-78.7-40.8000113Q433 V434 I435 L440 K441Q433-N437 WeakPolarHBondContact O-CB 3.46Å; Q433-N437 VanDerWaalsContact O-CG 3.28Å; Q433-N437 PolarHBondContact O-N 3.18Å; Q433-N437 PolarHBondContact O-ND2 3.19Å; V434-N437 PolarHBondContact O-N 2.95Å; I435-N437 VanDerWaalsContact C-N 3.34Å; I435-N437 PolarHBondContact O-N 3.19Å; N437-L440 PolarHBondContact O-N 3.25Å; N437-K441 WeakPolarHBondContact O-CG 3.43Å; N437-K441 PolarHBondContact O-N 3.09Å
438E81.6Confident70.2Confident123 Ų123104 Ų10458%0.57558%0.575SS**Hα-helixtrans-67-42.9174.3-74.4-175.4170.700111.6V434 I435 L440 K441 S442V434-E438 HydrophobicContact CG1-CG 4.49Å; V434-E438 WeakPolarHBondContact O-CG 3.39Å; V434-E438 PolarHBondContact O-N 3.11Å; I435-E438 PolarHBondContact O-N 2.88Å; E438-L440 VanDerWaalsContact C-N 3.34Å; E438-L440 PolarHBondContact O-N 3.41Å; E438-K441 PolarHBondContact O-N 3.26Å; E438-S442 WeakPolarHBondContact O-CB 3.38Å; E438-S442 PolarHBondContact O-N 2.96Å; E438-S442 PolarHBondContact O-OG 3Å
439L79.8Confident68.4Low105 Ų105108.1 Ų108.155%0.5559%0.594SS.*Hα-helixtrans-59.1-45.2172.8-72.2171.1000111I435 K441 S442 L443I435-L439 HydrophobicContact CG2-CD1 3.95Å; I435-L439 HydrophobicContact CG2-CG 4.42Å; I435-L439 WeakPolarHBondContact O-CB 3.43Å; I435-L439 VanDerWaalsContact O-CG 3.27Å; I435-L439 WeakPolarHBondContact O-CG 3.38Å; I435-L439 PolarHBondContact O-N 3.47Å; L439-K441 VanDerWaalsContact C-N 3.34Å; L439-K441 PolarHBondContact O-N 3.2Å; L439-S442 PolarHBondContact O-N 3.38Å; L439-S442 PolarHBondContact O-OG 2.93Å; L439-L443 PolarHBondContact O-N 3.25Å
440L76.6Confident66.3Low101 Ų101109.1 Ų109.153%0.52960%0.604SS.*Hα-helixtrans-58.9-38.9174.2-98.9150.9000113.5L436 N437 E438L436-L440 HydrophobicContact CD2-CD1 4.09Å; L436-L440 WeakPolarHBondContact O-CB 3.42Å; L436-L440 PolarHBondContact O-N 2.87Å; N437-L440 PolarHBondContact O-N 3.25Å; E438-L440 VanDerWaalsContact C-N 3.34Å; E438-L440 PolarHBondContact O-N 3.41Å
441K75.3Confident64.2Low177 Ų177110.3 Ų110.377%0.7762%0.616SS**Hα-helixtrans-73.9-28.1176.8-73.4171.8-175.4173.50113.3N437 E438 L439N437-K441 WeakPolarHBondContact O-CG 3.43Å; N437-K441 PolarHBondContact O-N 3.09Å; E438-K441 PolarHBondContact O-N 3.26Å; L439-K441 VanDerWaalsContact C-N 3.34Å; L439-K441 PolarHBondContact O-N 3.2Å
442S74.1Confident62.2Low85 Ų85113.5 Ų113.559%0.59463%0.631SS**Hα-helixtrans-81.4-12.2-179.173.80000114.3E438 L439 P444E438-S442 WeakPolarHBondContact O-CB 3.38Å; E438-S442 PolarHBondContact O-N 2.96Å; E438-S442 PolarHBondContact O-OG 3Å; L439-S442 PolarHBondContact O-N 3.38Å; L439-S442 PolarHBondContact O-OG 2.93Å; S442-P444 WeakPolarHBondContact O-CD 3.41Å
443L67Low60.3Low109 Ų109119 Ų11957%0.57165%0.648SS**SBendtrans-67.6119.5176.8-89.8142.9000110.6L439 N445L439-L443 PolarHBondContact O-N 3.25Å; L443-N445 PolarHBondContact O-N 3.02Å
444P48.1Very low58.6Low108 Ų108118.2 Ų118.270%0.70166%0.655SS**SBendtrans-69.9122.6174.428.9-29.8000107.8S442S442-P444 WeakPolarHBondContact O-CD 3.41Å
445N51.4Low56.6Low165 Ų165122.4 Ų122.488%0.88268%0.675SS**  trans9278.5-175-46.9-46.5000114.8L443L443-N445 PolarHBondContact O-N 3.02Å
446S41Very low54.6Low97 Ų97126.4 Ų126.468%0.67869%0.691SS**  trans-115.9123.3150.7-177.80000108.7
447P43.6Very low52.9Low105 Ų105127 Ų12768%0.68270%0.704SS**  trans-63.2139.3175.528.2-31.6000109V449P447-V449 PolarHBondContact O-N 3.17Å
448S33.5Very low51.1Low104 Ų104131.2 Ų131.273%0.72773%0.725SS**  trans-42.797.8170.653.50000112.2T450S448-T450 PolarHBondContact O-N 3.15Å
449V45.2Very low49.2Very low138 Ų138135.1 Ų135.184%0.83674%0.741SS**  trans-8180.1160.8-176.80000106.4P447 S451P447-V449 PolarHBondContact O-N 3.17Å; V449-S451 PolarHBondContact O-N 2.94Å
450T38.6Very low47.6Very low103 Ų103136.2 Ų136.263%0.63275%0.751SS**  trans-64.7113166.4-39.50000106.9S448 Q452S448-T450 PolarHBondContact O-N 3.15Å; T450-Q452 PolarHBondContact O-N 3.34Å
451S36Very low46.1Very low99 Ų99136 Ų13669%0.69276%0.758SS**  trans23.587.1142.4171.50000115.7V449V449-S451 PolarHBondContact O-N 2.94Å
452Q39Very low44.4Very low171 Ų171135.4 Ų135.480%0.79976%0.764SS**  trans-140.565.5160.1-73.3-167.8-16.500109.9T450T450-Q452 PolarHBondContact O-N 3.34Å
453Y41.4Very low43.2Very low244 Ų244136.8 Ų136.896%0.95777%0.77SS**  trans-127.163.9147.6-87.6-80.7000106.8
454S42.2Very low42.3Very low96 Ų96140.6 Ų140.667%0.67178%0.782SS**  trans-84.7106.6163.5-39.80000106.7E456S454-E456 PolarHBondContact O-N 3.31Å
455D37.4Very low42.1Very low158 Ų158144.4 Ų144.485%0.84579%0.791SS**  trans-3.4104.2138.9-157.610.6000114.4
456E40.8Very low42.2Very low182 Ų182146.5 Ų146.585%0.8579%0.792SS**  trans-177.6142.1148.5-107.2173.3-177.300111.2S454S454-E456 PolarHBondContact O-N 3.31Å
457S40.4Very low42.6Very low111 Ų111146.6 Ų146.678%0.77679%0.79SS**  trans89.179.816573.80000119.1
458L40.6Very low42.7Very low175 Ų175148.2 Ų148.292%0.91679%0.793SS**  -154.476.7127.2-102153.9000109.7
459K40.8Very low43.8Very low205 Ų205151 Ų15189%0.89180%0.8SS**  trans-104.3101.3161.7-99.3-175.4177.6173.70108.2
460V46.6Very low44.4Very low128 Ų128148.6 Ų148.678%0.77680%0.795SS**  trans-160.6125.3163.6-178.50000105.7
461S45.3Very low45.3Very low97 Ų97151.2 Ų151.268%0.67880%0.803SS**  cis-175.6131.2-1142.90000104.6
462D39.9Very low46.2Very low164 Ų164157.6 Ų157.688%0.87783%0.829SS**  trans-59.9150.1166.3-82.9-43.4000110.6
463P48.9Very low46.6Very low114 Ų114156.9 Ų156.974%0.7483%0.831SS**  -143.6124.1116.930.6-12.9000114.5
464K46.7Very low46.8Very low189 Ų189152.3 Ų152.382%0.82282%0.824SS**  49110.3126.6-67.4-177.9175-179.60118.9
465E45.6Very low47.1Very low187 Ų187155.4 Ų155.487%0.87483%0.833SS**  25.2122.5123.9-71.6179.4148.800118.3
466K52.3Low47.7Very low210 Ų210155.3 Ų155.391%0.91383%0.832SS**  trans-147.4136.2131.5-110.6178.5-177.2-176.70110.6
467P48.8Very low48.1Very low99 Ų99153.6 Ų153.664%0.64383%0.831SS**  trans-98.8177.4-172.740.8-35.4000113
468D47.6Very low48.6Very low138 Ų138156.5 Ų156.574%0.73883%0.834SS**  trans70.6112157.4-55.3-26.9000118.1
469D55.6Low49.2Very low164 Ų164155.1 Ų155.188%0.87783%0.829SS**  -173.4138.796.9-93.1-32.8000112
470A57Low49.8Very low87 Ų87151.3 Ų151.372%0.71982%0.824SS**  trans-75.5166.8179.800000113.3
471I58.4Low50.1Low158 Ų158153.3 Ų153.381%0.8183%0.828SS**  trans143.989.4137.8-68.6156.3000110.1
472N55Low50.5Low232 Ų232158.4 Ų158.4100%1.24184%0.841SS**  -179.70111.4-108.2-12.1000110.8

Retrieved 472 of 472 residues in 355.5 ms (Link to these results)

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