A0A077ZAL0_TRITR Loading...

TPR 8 and TPR 11 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZAL0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 255 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
1M68.6Low83.6Confident190 Ų19073.6 Ų73.694%0.93637%0.368SS*.  0-41.10-154178.7-67.200112.6T4 L5M1-T4 WeakPolarHBondContact CA-OG1 3.46Å; M1-T4 PolarHBondContact O-OG1 3.22Å; M1-L5 PolarHBondContact O-N 3.21Å
2L80.5Confident84Confident65 Ų6568.9 Ų68.934%0.3435%0.345SS..Hα-helixtrans-63.7-47.9175.6-85.6149000113.9T4 L5 F6 C28 F31L2-T4 VanDerWaalsContact C-N 3.3Å; L2-T4 PolarHBondContact O-N 3.47Å; L2-L5 PolarHBondContact O-N 2.83Å; L2-F6 PolarHBondContact O-N 2.85Å; L2-C28 HydrophobicContact CD2-CB 4.42Å; L2-F31 HydrophobicContact CD1-CB 4.02Å; L2-F31 HydrophobicContact CD1-CG 4.43Å; L2-F31 HydrophobicContact CD2-CB 3.54Å; L2-F31 HydrophobicContact CD2-CD2 3.83Å; L2-F31 HydrophobicContact CD2-CG 3.96Å; L2-F31 HydrophobicContact CG-CB 4.22Å; L2-F31 HydrophobicContact CG-CD2 4.43Å; L2-F31 HydrophobicContact CG-CG 4.41Å
3Y81.1Confident83.9Confident158 Ų15865.4 Ų65.462%0.6233%0.327SS*.Hα-helixtrans-60.2-37.6-179.8-173.8-108.6000113.3F6 L7Y3-F6 PolarHBondContact O-N 3.43Å; Y3-L7 HydrophobicContact CD1-CD1 3.84Å; Y3-L7 HydrophobicContact CD1-CG 4.39Å; Y3-L7 HydrophobicContact CE1-CD1 3.37Å; Y3-L7 HydrophobicContact CE1-CG 4.05Å; Y3-L7 WeakPolarHBondContact O-CG 3.25Å; Y3-L7 PolarHBondContact O-N 2.9Å
4T86.5Confident83.6Confident75 Ų7572.6 Ų72.646%0.4636%0.359SS..Hα-helixtrans-67.2-40177.645.10000111.9M1 L2 L7 I8M1-T4 WeakPolarHBondContact CA-OG1 3.46Å; M1-T4 PolarHBondContact O-OG1 3.22Å; L2-T4 VanDerWaalsContact C-N 3.3Å; L2-T4 PolarHBondContact O-N 3.47Å; T4-L7 PolarHBondContact O-N 2.94Å; T4-I8 WeakPolarHBondContact O-CD1 3.43Å; T4-I8 WeakPolarHBondContact O-CG1 3.28Å; T4-I8 PolarHBondContact O-N 3.24Å
5L86.8Confident83.8Confident30 Ų3075.5 Ų75.516%0.15737%0.372CS..Hα-helixtrans-64.9-41.8175.6-71.7171000111.5M1 L2 I8 G9 M24 K27 C28M1-L5 PolarHBondContact O-N 3.21Å; L2-L5 PolarHBondContact O-N 2.83Å; L5-I8 PolarHBondContact O-N 3.24Å; L5-G9 PolarHBondContact O-N 3.27Å; L5-M24 HydrophobicContact CD2-CE 3.43Å; L5-M24 VanDerWaalsContact CD2-CE 3.43Å; L5-M24 HydrophobicContact CD2-SD 4.07Å; L5-K27 HydrophobicContact CD1-CB 4.48Å; L5-C28 WeakPolarHBondContact CB-SG 3.5Å
6F85.5Confident83.8Confident32 Ų3273.4 Ų73.414%0.1438%0.375CS..Hα-helixtrans-60.2-48.3176.3177.1-108.8000111.6L2 Y3 I8 G9 M10 L25 C28 S37 Y38 Q41L2-F6 PolarHBondContact O-N 2.85Å; Y3-F6 PolarHBondContact O-N 3.43Å; F6-I8 VanDerWaalsContact C-N 3.35Å; F6-I8 PolarHBondContact O-N 3.35Å; F6-G9 PolarHBondContact O-N 3.36Å; F6-M10 HydrophobicContact CE1-CG 4.15Å; F6-M10 HydrophobicContact CE2-CG 4.34Å; F6-M10 HydrophobicContact CE2-SD 4.32Å; F6-M10 HydrophobicContact CZ-CG 4.06Å; F6-M10 HydrophobicContact CZ-SD 4.16Å; F6-M10 WeakPolarHBondContact O-CG 3.39Å; F6-M10 PolarHBondContact O-N 3.23Å; F6-L25 HydrophobicContact CD2-CD2 3.78Å; F6-L25 HydrophobicContact CE2-CD2 4.17Å; F6-C28 PolarHBondContact N-SG 3.5Å; F6-S37 VanDerWaalsContact CZ-OG 3.29Å; F6-S37 WeakPolarHBondContact CZ-OG 3.37Å; F6-Y38 HydrophobicContact CB-CE1 3.98Å; F6-Y38 AromaticContact CD2-CD1 3.42Å; F6-Y38 HydrophobicContact CD2-CD1 3.42Å; F6-Y38 VanDerWaalsContact CD2-CD1 3.42Å; F6-Y38 AromaticContact CD2-CE1 3.4Å; F6-Y38 HydrophobicContact CD2-CE1 3.4Å; F6-Y38 AromaticContact CE2-CD1 3.79Å; F6-Y38 HydrophobicContact CE2-CD1 3.79Å; F6-Y38 HydrophobicContact CE2-CE1 4.01Å; F6-Y38 HydrophobicContact CG-CD1 4.27Å; F6-Y38 AromaticContact CG-CE1 3.79Å; F6-Y38 HydrophobicContact CG-CE1 3.79Å; F6-Q41 HydrophobicContact CE2-CG 3.82Å; F6-Q41 HydrophobicContact CZ-CG 4.24Å
7L84.9Confident84Confident74 Ų7474.6 Ų74.639%0.38738%0.378SS..Hα-helixtrans-61.2-41.3176.8-72.4178.3000112.4Y3 T4 G9 M10 V11Y3-L7 HydrophobicContact CD1-CD1 3.84Å; Y3-L7 HydrophobicContact CD1-CG 4.39Å; Y3-L7 HydrophobicContact CE1-CD1 3.37Å; Y3-L7 HydrophobicContact CE1-CG 4.05Å; Y3-L7 WeakPolarHBondContact O-CG 3.25Å; Y3-L7 PolarHBondContact O-N 2.9Å; T4-L7 PolarHBondContact O-N 2.94Å; L7-G9 VanDerWaalsContact C-N 3.32Å; L7-G9 PolarHBondContact O-N 3.49Å; L7-M10 PolarHBondContact O-N 3.09Å; L7-V11 WeakPolarHBondContact O-CG2 3.31Å; L7-V11 PolarHBondContact O-N 3.48Å
8I88.5Confident84.1Confident73 Ų7370.8 Ų70.837%0.37436%0.359SS..Hα-helixtrans-62.6-42.1175.6-66.5162.1000110.5T4 L5 F6 M10 V11 N12 M24T4-I8 WeakPolarHBondContact O-CD1 3.43Å; T4-I8 WeakPolarHBondContact O-CG1 3.28Å; T4-I8 PolarHBondContact O-N 3.24Å; L5-I8 PolarHBondContact O-N 3.24Å; F6-I8 VanDerWaalsContact C-N 3.35Å; F6-I8 PolarHBondContact O-N 3.35Å; I8-M10 VanDerWaalsContact C-N 3.31Å; I8-M10 PolarHBondContact O-N 3.47Å; I8-V11 PolarHBondContact O-N 3.37Å; I8-N12 WeakPolarHBondContact O-CB 3.28Å; I8-N12 VanDerWaalsContact O-CG 3.28Å; I8-N12 PolarHBondContact O-N 3.3Å; I8-M24 HydrophobicContact CB-CE 4.09Å; I8-M24 HydrophobicContact CD1-CE 4.03Å; I8-M24 HydrophobicContact CG2-CE 3.64Å; I8-M24 HydrophobicContact CG2-CG 4.28Å
9G86.9Confident84.4Confident0 Ų072.6 Ų72.60%037%0.37CS..Hα-helixtrans-56.8-44174.300000112.5L5 F6 L7 L13 S21L5-G9 PolarHBondContact O-N 3.27Å; F6-G9 PolarHBondContact O-N 3.36Å; L7-G9 VanDerWaalsContact C-N 3.32Å; L7-G9 PolarHBondContact O-N 3.49Å; G9-L13 PolarHBondContact O-N 3.17Å; G9-S21 VanDerWaalsContact O-CB 3.23Å; G9-S21 WeakPolarHBondContact O-CB 3.42Å; G9-S21 PolarHBondContact O-OG 3.11Å
10M83.4Confident84.6Confident48 Ų4873.6 Ų73.624%0.23637%0.373CS..Hα-helixtrans-65.7-45.4177.1-66.9-58.2-62.900112.9F6 L7 I8 N12 L13 Q14 Q41F6-M10 HydrophobicContact CE1-CG 4.15Å; F6-M10 HydrophobicContact CE2-CG 4.34Å; F6-M10 HydrophobicContact CE2-SD 4.32Å; F6-M10 HydrophobicContact CZ-CG 4.06Å; F6-M10 HydrophobicContact CZ-SD 4.16Å; F6-M10 WeakPolarHBondContact O-CG 3.39Å; F6-M10 PolarHBondContact O-N 3.23Å; L7-M10 PolarHBondContact O-N 3.09Å; I8-M10 VanDerWaalsContact C-N 3.31Å; I8-M10 PolarHBondContact O-N 3.47Å; M10-N12 VanDerWaalsContact C-N 3.34Å; M10-L13 WeakPolarHBondContact O-CB 3.42Å; M10-L13 PolarHBondContact O-N 3.42Å; M10-Q14 PolarHBondContact O-N 3.31Å; M10-Q14 VanDerWaalsContact O-N 3.13Å; M10-Q41 HydrophobicContact SD-CB 4.21Å; M10-Q41 HydrophobicContact SD-CG 3.47Å; M10-Q41 WeakPolarHBondContact SD-CG 3.15Å; M10-Q41 PolarHBondContact SD-NE2 3.41Å; M10-Q41 VanDerWaalsContact SD-NE2 3.43Å; M10-Q41 PolarHBondContact SD-OE1 3.1Å
11V87.2Confident84.8Confident65 Ų6570 Ų7039%0.39436%0.355SS..Hα-helixtrans-64.6-40.9179171.40000110.9L7 I8 L13 Q14 Q15L7-V11 WeakPolarHBondContact O-CG2 3.31Å; L7-V11 PolarHBondContact O-N 3.48Å; I8-V11 PolarHBondContact O-N 3.37Å; V11-L13 VanDerWaalsContact C-N 3.29Å; V11-L13 PolarHBondContact O-N 3.43Å; V11-Q14 PolarHBondContact O-N 2.97Å; V11-Q15 HydrophobicContact CG1-CG 4.43Å; V11-Q15 WeakPolarHBondContact O-CG 3.49Å; V11-Q15 PolarHBondContact O-N 3.2Å
12N87.6Confident85.9Confident17 Ų1761.8 Ų61.89%0.09131%0.314CS..Hα-helixtrans-61.3-39176.4-78-11.4000111.9I8 M10 Q15 G16 K17 E20I8-N12 WeakPolarHBondContact O-CB 3.28Å; I8-N12 VanDerWaalsContact O-CG 3.28Å; I8-N12 PolarHBondContact O-N 3.3Å; M10-N12 VanDerWaalsContact C-N 3.34Å; N12-Q15 PolarHBondContact O-N 2.82Å; N12-G16 PolarHBondContact O-N 3.36Å; N12-K17 HydrophobicContact CB-CB 4.28Å; N12-K17 CarbonylContact O-C 3.54Å; N12-K17 WeakPolarHBondContact O-CA 3.2Å; N12-K17 PolarHBondContact O-N 3.01Å; N12-E20 HydrophobicContact CB-CB 4.42Å
13L82.6Confident86.4Confident23 Ų2364.9 Ų64.912%0.1233%0.325CS..Hα-helixtrans-62.8-44.4174.8-176.161.7000111.4G9 M10 V11 Q15 G16 A18 F48G9-L13 PolarHBondContact O-N 3.17Å; M10-L13 WeakPolarHBondContact O-CB 3.42Å; M10-L13 PolarHBondContact O-N 3.42Å; V11-L13 VanDerWaalsContact C-N 3.29Å; V11-L13 PolarHBondContact O-N 3.43Å; L13-Q15 VanDerWaalsContact C-N 3.25Å; L13-Q15 PolarHBondContact O-N 2.9Å; L13-G16 PolarHBondContact O-N 3.26Å; L13-A18 HydrophobicContact CD1-CB 4.15Å; L13-F48 HydrophobicContact CD1-CB 3.95Å; L13-F48 HydrophobicContact CD1-CD1 4.31Å; L13-F48 HydrophobicContact CD1-CG 4.03Å
14Q81Confident86.8Confident166 Ų16659 Ų5978%0.77630%0.303SS*.Hα-helixtrans-63.7-30.2175.9-71.1-175-19.700113.1M10 V11 G16M10-Q14 PolarHBondContact O-N 3.31Å; M10-Q14 VanDerWaalsContact O-N 3.13Å; V11-Q14 PolarHBondContact O-N 2.97Å; Q14-G16 PolarHBondContact O-N 3.32Å
15Q86.7Confident86.9Confident116 Ų11655.4 Ų55.454%0.54228%0.282SS..THydrogen-bonded Turntrans-80.71.8174.7-68.5179.76.400113.5V11 N12 L13 K17V11-Q15 HydrophobicContact CG1-CG 4.43Å; V11-Q15 WeakPolarHBondContact O-CG 3.49Å; V11-Q15 PolarHBondContact O-N 3.2Å; N12-Q15 PolarHBondContact O-N 2.82Å; L13-Q15 VanDerWaalsContact C-N 3.25Å; L13-Q15 PolarHBondContact O-N 2.9Å; Q15-K17 VanDerWaalsContact C-N 3.26Å; Q15-K17 HydrophobicContact CB-CG 4.45Å; Q15-K17 PolarHBondContact O-N 3.02Å
16G83Confident87Confident42 Ų4259 Ų5943%0.43330%0.298SS..THydrogen-bonded Turntrans77.15.5-176.600000114.6N12 L13 Q14 A18N12-G16 PolarHBondContact O-N 3.36Å; L13-G16 PolarHBondContact O-N 3.26Å; Q14-G16 PolarHBondContact O-N 3.32Å; G16-A18 VanDerWaalsContact C-N 3.29Å; G16-A18 PolarHBondContact O-N 3Å; G16-A18 VanDerWaalsContact O-N 3.15Å
17K88.1Confident87.2Confident95 Ų9562.9 Ų62.941%0.41331%0.314SS..  trans-89.263.2177.7-59.6-176.6-175.4173.90110.8N12 Q15 D19 E20 S21N12-K17 HydrophobicContact CB-CB 4.28Å; N12-K17 CarbonylContact O-C 3.54Å; N12-K17 WeakPolarHBondContact O-CA 3.2Å; N12-K17 PolarHBondContact O-N 3.01Å; Q15-K17 VanDerWaalsContact C-N 3.26Å; Q15-K17 HydrophobicContact CB-CG 4.45Å; Q15-K17 PolarHBondContact O-N 3.02Å; K17-D19 VanDerWaalsContact C-N 3.34Å; K17-D19 PolarHBondContact O-N 3.1Å; K17-E20 HydrophobicContact CB-CB 4.28Å; K17-E20 HydrophobicContact CB-CG 4.46Å; K17-E20 VanDerWaalsContact CD-OE2 3.3Å; K17-E20 WeakPolarHBondContact CD-OE2 3.2Å; K17-E20 PolarHBondContact O-N 3.16Å; K17-S21 PolarHBondContact O-N 2.96Å
18A84.9Confident87.4Confident5 Ų559.3 Ų59.34%0.04130%0.296CS..Hα-helixtrans-65.3-33.2-173.300000113.5L13 G16 E20 S21 I22 F48 I49L13-A18 HydrophobicContact CD1-CB 4.15Å; G16-A18 VanDerWaalsContact C-N 3.29Å; G16-A18 PolarHBondContact O-N 3Å; G16-A18 VanDerWaalsContact O-N 3.15Å; A18-E20 PolarHBondContact O-N 3.33Å; A18-S21 VanDerWaalsContact O-CB 3.28Å; A18-S21 WeakPolarHBondContact O-CB 3.46Å; A18-S21 PolarHBondContact O-N 3.28Å; A18-I22 WeakPolarHBondContact O-CG1 3.41Å; A18-I22 PolarHBondContact O-N 2.64Å; A18-F48 HydrophobicContact CB-CD1 3.82Å; A18-I49 HydrophobicContact CB-CD1 3.62Å; A18-I49 HydrophobicContact CB-CG1 3.35Å
19D89.5Confident87.2Confident105 Ų10557.7 Ų57.756%0.56129%0.288SS*.Hα-helixtrans-63.3-41.5175.2-66.7-42.9000112.7K17 S21 I22 K23 I49K17-D19 VanDerWaalsContact C-N 3.34Å; K17-D19 PolarHBondContact O-N 3.1Å; D19-S21 VanDerWaalsContact C-N 3.32Å; D19-I22 PolarHBondContact O-N 3.44Å; D19-K23 WeakPolarHBondContact O-CG 3.4Å; D19-K23 PolarHBondContact O-N 3.12Å; D19-K23 VanDerWaalsContact O-N 3.17Å; D19-I49 WeakPolarHBondContact OD1-CD1 3.31Å
20E89.5Confident87.2Confident92 Ų9265.4 Ų65.443%0.4332%0.323SS..Hα-helixtrans-69.3-35.3175.8-65.4-174.8176.100111N12 K17 A18 M24N12-E20 HydrophobicContact CB-CB 4.42Å; K17-E20 HydrophobicContact CB-CB 4.28Å; K17-E20 HydrophobicContact CB-CG 4.46Å; K17-E20 VanDerWaalsContact CD-OE2 3.3Å; K17-E20 WeakPolarHBondContact CD-OE2 3.2Å; K17-E20 PolarHBondContact O-N 3.16Å; A18-E20 PolarHBondContact O-N 3.33Å; E20-M24 VanDerWaalsContact O-CG 3.24Å; E20-M24 WeakPolarHBondContact O-CG 3.29Å; E20-M24 PolarHBondContact O-N 3.02Å; E20-M24 VanDerWaalsContact O-N 3.17Å
21S89Confident87.2Confident0 Ų069.9 Ų69.90%034%0.342CS..Hα-helixtrans-57.8-51.8173-179.60000111.2G9 K17 A18 D19 K23 M24 L25 S45G9-S21 VanDerWaalsContact O-CB 3.23Å; G9-S21 WeakPolarHBondContact O-CB 3.42Å; G9-S21 PolarHBondContact O-OG 3.11Å; K17-S21 PolarHBondContact O-N 2.96Å; A18-S21 VanDerWaalsContact O-CB 3.28Å; A18-S21 WeakPolarHBondContact O-CB 3.46Å; A18-S21 PolarHBondContact O-N 3.28Å; D19-S21 VanDerWaalsContact C-N 3.32Å; S21-K23 PolarHBondContact O-N 3.15Å; S21-M24 PolarHBondContact O-N 2.68Å; S21-M24 VanDerWaalsContact O-N 3.14Å; S21-L25 VanDerWaalsContact O-CG 3.29Å; S21-L25 WeakPolarHBondContact O-CG 3.33Å; S21-L25 PolarHBondContact O-N 3.35Å; S21-S45 PolarHBondContact OG-OG 3.44Å; S21-S45 VanDerWaalsContact OG-OG 3.07Å
22I90.1Very high86.9Confident16 Ų1669.7 Ų69.78%0.08234%0.339CS..Hα-helixtrans-58.3-48.9-179.7-67.5164.6000110.6A18 D19 M24 L25 E26 L46 I49A18-I22 WeakPolarHBondContact O-CG1 3.41Å; A18-I22 PolarHBondContact O-N 2.64Å; D19-I22 PolarHBondContact O-N 3.44Å; I22-M24 PolarHBondContact O-N 2.94Å; I22-L25 CarbonylContact O-C 3.59Å; I22-L25 PolarHBondContact O-N 3.42Å; I22-L25 VanDerWaalsContact O-N 3.09Å; I22-E26 HydrophobicContact CG2-CG 3.99Å; I22-E26 WeakPolarHBondContact CG2-OE1 3.4Å; I22-E26 WeakPolarHBondContact O-CB 3.45Å; I22-E26 WeakPolarHBondContact O-CG 3.36Å; I22-E26 PolarHBondContact O-N 3.07Å; I22-L46 HydrophobicContact CD1-CD2 3.62Å; I22-L46 HydrophobicContact CD1-CG 3.93Å; I22-I49 HydrophobicContact CD1-CD1 3.47Å; I22-I49 VanDerWaalsContact CD1-CD1 3.47Å
23K91.2Very high86.5Confident130 Ų13077 Ų7757%0.56537%0.365SS*.Hα-helixtrans-56.9-37.4178.5-72.1172.9-175.21720113.1D19 S21 K27D19-K23 WeakPolarHBondContact O-CG 3.4Å; D19-K23 PolarHBondContact O-N 3.12Å; D19-K23 VanDerWaalsContact O-N 3.17Å; S21-K23 PolarHBondContact O-N 3.15Å; K23-K27 WeakPolarHBondContact O-CG 3.15Å; K23-K27 PolarHBondContact O-N 3.05Å
24M90.5Very high85.9Confident34 Ų3481.3 Ų81.317%0.16738%0.383CS..Hα-helixtrans-75.3-37.2179.1-64.3-60.8-97.400111.5L5 I8 E20 S21 I22 K27 C28L5-M24 HydrophobicContact CD2-CE 3.43Å; L5-M24 VanDerWaalsContact CD2-CE 3.43Å; L5-M24 HydrophobicContact CD2-SD 4.07Å; I8-M24 HydrophobicContact CB-CE 4.09Å; I8-M24 HydrophobicContact CD1-CE 4.03Å; I8-M24 HydrophobicContact CG2-CE 3.64Å; I8-M24 HydrophobicContact CG2-CG 4.28Å; E20-M24 VanDerWaalsContact O-CG 3.24Å; E20-M24 WeakPolarHBondContact O-CG 3.29Å; E20-M24 PolarHBondContact O-N 3.02Å; E20-M24 VanDerWaalsContact O-N 3.17Å; S21-M24 PolarHBondContact O-N 2.68Å; S21-M24 VanDerWaalsContact O-N 3.14Å; I22-M24 PolarHBondContact O-N 2.94Å; M24-K27 WeakPolarHBondContact O-CB 3.22Å; M24-K27 PolarHBondContact O-N 2.67Å; M24-K27 HydrophobicContact SD-CD 4.32Å; M24-C28 PolarHBondContact O-N 3.07Å; M24-C28 VanDerWaalsContact O-N 3.17Å; M24-C28 PolarHBondContact O-SG 3.15Å; M24-C28 VanDerWaalsContact O-SG 3.41Å
25L88.5Confident85.7Confident0 Ų075.2 Ų75.20%036%0.356CS..Hα-helixtrans-72.5-36.2177-66.4166.5000112.7F6 S21 I22 K27 C28 L29 Q41 I42F6-L25 HydrophobicContact CD2-CD2 3.78Å; F6-L25 HydrophobicContact CE2-CD2 4.17Å; S21-L25 VanDerWaalsContact O-CG 3.29Å; S21-L25 WeakPolarHBondContact O-CG 3.33Å; S21-L25 PolarHBondContact O-N 3.35Å; I22-L25 CarbonylContact O-C 3.59Å; I22-L25 PolarHBondContact O-N 3.42Å; I22-L25 VanDerWaalsContact O-N 3.09Å; L25-K27 VanDerWaalsContact C-N 3.29Å; L25-K27 PolarHBondContact O-N 3.46Å; L25-C28 CarbonylContact O-C 3.59Å; L25-C28 WeakPolarHBondContact O-CA 3.46Å; L25-C28 VanDerWaalsContact O-CB 3.31Å; L25-C28 WeakPolarHBondContact O-CB 3.49Å; L25-C28 PolarHBondContact O-N 3.24Å; L25-C28 VanDerWaalsContact O-N 3.1Å; L25-L29 WeakPolarHBondContact O-CB 3.48Å; L25-L29 PolarHBondContact O-N 3.27Å; L25-Q41 HydrophobicContact CD1-CB 3.5Å; L25-Q41 HydrophobicContact CD2-CB 3.86Å; L25-Q41 HydrophobicContact CG-CB 4.33Å; L25-I42 HydrophobicContact CB-CD1 4.02Å; L25-I42 HydrophobicContact CB-CG1 3.46Å; L25-I42 VanDerWaalsContact CB-CG1 3.46Å; L25-I42 HydrophobicContact CD1-CG1 4.11Å; L25-I42 HydrophobicContact CG-CG1 4.42Å
26E89.2Confident84.9Confident106 Ų10671.1 Ų71.150%0.49534%0.34SS..Hα-helixtrans-61.8-38172.1-76.1177165.100111.2I22 L29 H30 I42I22-E26 HydrophobicContact CG2-CG 3.99Å; I22-E26 WeakPolarHBondContact CG2-OE1 3.4Å; I22-E26 WeakPolarHBondContact O-CB 3.45Å; I22-E26 WeakPolarHBondContact O-CG 3.36Å; I22-E26 PolarHBondContact O-N 3.07Å; E26-L29 PolarHBondContact O-N 3.45Å; E26-H30 PolarHBondContact O-N 3.04Å; E26-I42 HydrophobicContact CG-CD1 4.27Å
27K89.3Confident84.4Confident113 Ų11370.8 Ų70.849%0.49133%0.331SS..Hα-helixtrans-62.1-43.6171-72.6172.9-175.3177.80111.2L5 K23 M24 L25 L29 H30 F31L5-K27 HydrophobicContact CD1-CB 4.48Å; K23-K27 WeakPolarHBondContact O-CG 3.15Å; K23-K27 PolarHBondContact O-N 3.05Å; M24-K27 WeakPolarHBondContact O-CB 3.22Å; M24-K27 PolarHBondContact O-N 2.67Å; M24-K27 HydrophobicContact SD-CD 4.32Å; L25-K27 VanDerWaalsContact C-N 3.29Å; L25-K27 PolarHBondContact O-N 3.46Å; K27-L29 VanDerWaalsContact C-N 3.32Å; K27-L29 PolarHBondContact O-N 3.09Å; K27-H30 PolarHBondContact O-N 3.33Å; K27-F31 WeakPolarHBondContact O-CD2 3.08Å
28C88.4Confident84.1Confident0 Ų067.5 Ų67.50%032%0.316CS..Hα-helixtrans-60-43.8174.3-670000111.7L2 L5 F6 M24 L25 H30 F31 D32 Y38L2-C28 HydrophobicContact CD2-CB 4.42Å; L5-C28 WeakPolarHBondContact CB-SG 3.5Å; F6-C28 PolarHBondContact N-SG 3.5Å; M24-C28 PolarHBondContact O-N 3.07Å; M24-C28 VanDerWaalsContact O-N 3.17Å; M24-C28 PolarHBondContact O-SG 3.15Å; M24-C28 VanDerWaalsContact O-SG 3.41Å; L25-C28 CarbonylContact O-C 3.59Å; L25-C28 WeakPolarHBondContact O-CA 3.46Å; L25-C28 VanDerWaalsContact O-CB 3.31Å; L25-C28 WeakPolarHBondContact O-CB 3.49Å; L25-C28 PolarHBondContact O-N 3.24Å; L25-C28 VanDerWaalsContact O-N 3.1Å; C28-H30 VanDerWaalsContact C-N 3.29Å; C28-H30 PolarHBondContact O-N 2.84Å; C28-F31 PolarHBondContact O-N 3.24Å; C28-F31 VanDerWaalsContact O-N 3.14Å; C28-D32 PolarHBondContact O-N 3.24Å; C28-Y38 HydrophobicContact CB-CD1 4.08Å; C28-Y38 HydrophobicContact CB-CD2 3.65Å; C28-Y38 HydrophobicContact CB-CE1 4.17Å; C28-Y38 HydrophobicContact CB-CE2 3.74Å; C28-Y38 HydrophobicContact CB-CG 3.84Å
29L85.3Confident83.8Confident39 Ų3967.4 Ų67.420%0.20432%0.315CS..Hα-helixtrans-64.1-31.8178.7-169.768.3000112.6L25 E26 K27 F31 D32 R33 I39 I42L25-L29 WeakPolarHBondContact O-CB 3.48Å; L25-L29 PolarHBondContact O-N 3.27Å; E26-L29 PolarHBondContact O-N 3.45Å; K27-L29 VanDerWaalsContact C-N 3.32Å; K27-L29 PolarHBondContact O-N 3.09Å; L29-F31 VanDerWaalsContact C-N 3.27Å; L29-F31 PolarHBondContact O-N 2.86Å; L29-D32 CarbonylContact O-C 3.24Å; L29-D32 VanDerWaalsContact O-C 3.24Å; L29-D32 PolarHBondContact O-N 2.91Å; L29-R33 WeakPolarHBondContact CD1-O 3.48Å; L29-R33 WeakPolarHBondContact O-CA 3.27Å; L29-R33 PolarHBondContact O-N 3.49Å; L29-R33 VanDerWaalsContact O-N 3.11Å; L29-I39 HydrophobicContact CD1-CD1 4.1Å; L29-I39 HydrophobicContact CD1-CG1 3.47Å; L29-I39 VanDerWaalsContact CD1-CG1 3.47Å; L29-I42 HydrophobicContact CB-CD1 4.36Å; L29-I42 HydrophobicContact CD2-CD1 3.97Å
30H85.5Confident83Confident161 Ų16164 Ų6475%0.74530%0.295SS*.Hα-helixtrans-63.4-32.7174.9-171.7-67.5000112.5E26 K27 C28E26-H30 PolarHBondContact O-N 3.04Å; K27-H30 PolarHBondContact O-N 3.33Å; C28-H30 VanDerWaalsContact C-N 3.29Å; C28-H30 PolarHBondContact O-N 2.84Å
31F84.7Confident82.4Confident142 Ų14260.3 Ų60.362%0.62328%0.278SS*.Hα-helixtrans-84.9-36.3177.5-69.2-75.4000112.7L2 K27 C28 L29L2-F31 HydrophobicContact CD1-CB 4.02Å; L2-F31 HydrophobicContact CD1-CG 4.43Å; L2-F31 HydrophobicContact CD2-CB 3.54Å; L2-F31 HydrophobicContact CD2-CD2 3.83Å; L2-F31 HydrophobicContact CD2-CG 3.96Å; L2-F31 HydrophobicContact CG-CB 4.22Å; L2-F31 HydrophobicContact CG-CD2 4.43Å; L2-F31 HydrophobicContact CG-CG 4.41Å; K27-F31 WeakPolarHBondContact O-CD2 3.08Å; C28-F31 PolarHBondContact O-N 3.24Å; C28-F31 VanDerWaalsContact O-N 3.14Å; L29-F31 VanDerWaalsContact C-N 3.27Å; L29-F31 PolarHBondContact O-N 2.86Å
32D80.9Confident82.1Confident62 Ų6260.7 Ų60.733%0.33228%0.28SS..  trans-131.986177.9-173.95.2000110C28 L29 F34 N35 Y38C28-D32 PolarHBondContact O-N 3.24Å; L29-D32 CarbonylContact O-C 3.24Å; L29-D32 VanDerWaalsContact O-C 3.24Å; L29-D32 PolarHBondContact O-N 2.91Å; D32-F34 PolarHBondContact O-N 3.36Å; D32-N35 HydrophobicContact CB-CB 4.23Å; D32-N35 PolarHBondContact O-N 2.92Å; D32-N35 WeakPolarHBondContact OD2-CB 3.29Å; D32-N35 PolarHBondContact OD2-ND2 3.02Å; D32-Y38 HydrophobicContact CB-CD2 4.49Å; D32-Y38 HydrophobicContact CB-CE2 4.05Å
33R77.8Confident81.6Confident169 Ų16959.9 Ų59.964%0.63828%0.276SS*.THydrogen-bonded Turntrans-62.8-21.9-173.9-179.6176.3-79.2-178.6-5113.2L29L29-R33 WeakPolarHBondContact CD1-O 3.48Å; L29-R33 WeakPolarHBondContact O-CA 3.27Å; L29-R33 PolarHBondContact O-N 3.49Å; L29-R33 VanDerWaalsContact O-N 3.11Å
34F71.3Confident80.8Confident115 Ų11554.3 Ų54.350%0.50425%0.253SS..THydrogen-bonded Turntrans-109.714.1-172.6-52.9-63.5000112.7D32 S36 Y65 Q66D32-F34 PolarHBondContact O-N 3.36Å; F34-S36 PolarHBondContact O-N 3.33Å; F34-Y65 AromaticContact CD1-CD1 3.5Å; F34-Y65 HydrophobicContact CD1-CD1 3.5Å; F34-Y65 VanDerWaalsContact CD1-CD1 3.5Å; F34-Y65 HydrophobicContact CD1-CD2 4.46Å; F34-Y65 HydrophobicContact CD1-CE1 4.03Å; F34-Y65 AromaticContact CD1-CG 3.76Å; F34-Y65 HydrophobicContact CD1-CG 3.76Å; F34-Y65 AromaticContact CE1-CD1 3.45Å; F34-Y65 HydrophobicContact CE1-CD1 3.45Å; F34-Y65 VanDerWaalsContact CE1-CD1 3.45Å; F34-Y65 AromaticContact CE1-CE1 3.55Å; F34-Y65 HydrophobicContact CE1-CE1 3.55Å; F34-Y65 HydrophobicContact CE1-CG 4.16Å; F34-Q66 PolarHBondContact O-NE2 3.26Å
35N75.7Confident80.4Confident37 Ų3752.7 Ų52.720%0.19825%0.245CC..  trans-76.3123.7179.6-157.4-61.1000112.1D32 S37 Y38 I39D32-N35 HydrophobicContact CB-CB 4.23Å; D32-N35 PolarHBondContact O-N 2.92Å; D32-N35 WeakPolarHBondContact OD2-CB 3.29Å; D32-N35 PolarHBondContact OD2-ND2 3.02Å; N35-S37 VanDerWaalsContact C-N 3.27Å; N35-S37 PolarHBondContact O-N 3.48Å; N35-S37 VanDerWaalsContact OD1-CB 3.32Å; N35-S37 WeakPolarHBondContact OD1-CB 3.31Å; N35-S37 PolarHBondContact OD1-N 3.43Å; N35-Y38 HydrophobicContact CB-CD2 3.36Å; N35-Y38 HydrophobicContact CB-CE2 3.72Å; N35-Y38 HydrophobicContact CB-CG 3.88Å; N35-Y38 PolarHBondContact O-N 2.94Å; N35-I39 WeakPolarHBondContact O-CG1 3.16Å; N35-I39 PolarHBondContact O-N 3.48Å
36S69.8Low80.2Confident31 Ų3153.2 Ų53.222%0.21725%0.248CC..Hα-helixtrans-60.6-43-177.959.30000111.1F34 K40 Q66F34-S36 PolarHBondContact O-N 3.33Å; S36-K40 WeakPolarHBondContact O-CB 3.46Å; S36-K40 PolarHBondContact O-N 3.4Å; S36-Q66 VanDerWaalsContact CB-CD 3.43Å; S36-Q66 VanDerWaalsContact CB-NE2 3.26Å
37S73.2Confident79.5Confident35 Ų3548.7 Ų48.725%0.24523%0.227CC..Hα-helixtrans-68.5-41-170-169.50000110.2F6 N35 K40 Q41F6-S37 VanDerWaalsContact CZ-OG 3.29Å; F6-S37 WeakPolarHBondContact CZ-OG 3.37Å; N35-S37 VanDerWaalsContact C-N 3.27Å; N35-S37 PolarHBondContact O-N 3.48Å; N35-S37 VanDerWaalsContact OD1-CB 3.32Å; N35-S37 WeakPolarHBondContact OD1-CB 3.31Å; N35-S37 PolarHBondContact OD1-N 3.43Å; S37-K40 WeakPolarHBondContact O-CB 3.34Å; S37-K40 PolarHBondContact O-N 3.49Å; S37-Q41 VanDerWaalsContact O-CG 3.23Å; S37-Q41 WeakPolarHBondContact O-CG 3.48Å; S37-Q41 PolarHBondContact O-N 2.92Å
38Y80.9Confident78.9Confident25 Ų2548.6 Ų48.610%0.09823%0.227CC..Hα-helixtrans-68.2-48.8-179.2-55.7-22.5000111.5F6 C28 D32 N35 K40 Q41 I42F6-Y38 HydrophobicContact CB-CE1 3.98Å; F6-Y38 AromaticContact CD2-CD1 3.42Å; F6-Y38 HydrophobicContact CD2-CD1 3.42Å; F6-Y38 VanDerWaalsContact CD2-CD1 3.42Å; F6-Y38 AromaticContact CD2-CE1 3.4Å; F6-Y38 HydrophobicContact CD2-CE1 3.4Å; F6-Y38 AromaticContact CE2-CD1 3.79Å; F6-Y38 HydrophobicContact CE2-CD1 3.79Å; F6-Y38 HydrophobicContact CE2-CE1 4.01Å; F6-Y38 HydrophobicContact CG-CD1 4.27Å; F6-Y38 AromaticContact CG-CE1 3.79Å; F6-Y38 HydrophobicContact CG-CE1 3.79Å; C28-Y38 HydrophobicContact CB-CD1 4.08Å; C28-Y38 HydrophobicContact CB-CD2 3.65Å; C28-Y38 HydrophobicContact CB-CE1 4.17Å; C28-Y38 HydrophobicContact CB-CE2 3.74Å; C28-Y38 HydrophobicContact CB-CG 3.84Å; D32-Y38 HydrophobicContact CB-CD2 4.49Å; D32-Y38 HydrophobicContact CB-CE2 4.05Å; N35-Y38 HydrophobicContact CB-CD2 3.36Å; N35-Y38 HydrophobicContact CB-CE2 3.72Å; N35-Y38 HydrophobicContact CB-CG 3.88Å; N35-Y38 PolarHBondContact O-N 2.94Å; Y38-K40 VanDerWaalsContact C-N 3.3Å; Y38-K40 PolarHBondContact O-N 2.92Å; Y38-Q41 PolarHBondContact O-N 3.23Å; Y38-Q41 VanDerWaalsContact O-N 3.14Å; Y38-I42 WeakPolarHBondContact O-CG1 3.41Å; Y38-I42 PolarHBondContact O-N 2.92Å
39I79Confident78.6Confident4 Ų451.6 Ų51.62%0.02124%0.242CC..Hα-helixtrans-59.8-43.8177.8-58.1172000110.1L29 N35 Q41 I42 G43 V58 A62L29-I39 HydrophobicContact CD1-CD1 4.1Å; L29-I39 HydrophobicContact CD1-CG1 3.47Å; L29-I39 VanDerWaalsContact CD1-CG1 3.47Å; N35-I39 WeakPolarHBondContact O-CG1 3.16Å; N35-I39 PolarHBondContact O-N 3.48Å; I39-Q41 PolarHBondContact O-N 3.43Å; I39-I42 PolarHBondContact O-N 3.01Å; I39-G43 PolarHBondContact O-N 3.28Å; I39-V58 HydrophobicContact CG2-CG1 3.52Å; I39-V58 WeakPolarHBondContact CG2-O 3.5Å; I39-V58 WeakPolarHBondContact O-CG1 3.34Å; I39-A62 HydrophobicContact CB-CB 4.44Å; I39-A62 HydrophobicContact CG2-CB 3.59Å
40K73.3Confident78.2Confident33 Ų3351.5 Ų51.514%0.14325%0.25CS..Hα-helixtrans-52.8-51.9172.8150.5176.9178.2-177.50112S36 S37 Y38 I42 G43 C44 D73 V74S36-K40 WeakPolarHBondContact O-CB 3.46Å; S36-K40 PolarHBondContact O-N 3.4Å; S37-K40 WeakPolarHBondContact O-CB 3.34Å; S37-K40 PolarHBondContact O-N 3.49Å; Y38-K40 VanDerWaalsContact C-N 3.3Å; Y38-K40 PolarHBondContact O-N 2.92Å; K40-I42 VanDerWaalsContact C-N 3.31Å; K40-I42 PolarHBondContact O-N 3.42Å; K40-G43 PolarHBondContact O-N 2.88Å; K40-C44 PolarHBondContact O-N 2.98Å; K40-C44 PolarHBondContact O-SG 3.38Å; K40-C44 VanDerWaalsContact O-SG 3.33Å; K40-D73 VanDerWaalsContact NZ-C 3.29Å; K40-D73 PolarHBondContact NZ-O 3.23Å; K40-V74 HydrophobicContact CB-CG2 3.71Å; K40-V74 HydrophobicContact CD-CB 4.14Å; K40-V74 HydrophobicContact CD-CG2 3.47Å; K40-V74 VanDerWaalsContact CD-CG2 3.47Å; K40-V74 VanDerWaalsContact CE-CA 3.48Å; K40-V74 HydrophobicContact CG-CB 4.44Å; K40-V74 HydrophobicContact CG-CG2 3.48Å; K40-V74 VanDerWaalsContact CG-CG2 3.48Å
41Q76.8Confident78Confident15 Ų1547.3 Ų47.37%0.0723%0.231CC..Hα-helixtrans-71-32.5-173.2-65-60.2-8.500111.1F6 M10 L25 S37 Y38 I39 C44 S45F6-Q41 HydrophobicContact CE2-CG 3.82Å; F6-Q41 HydrophobicContact CZ-CG 4.24Å; M10-Q41 HydrophobicContact SD-CB 4.21Å; M10-Q41 HydrophobicContact SD-CG 3.47Å; M10-Q41 WeakPolarHBondContact SD-CG 3.15Å; M10-Q41 PolarHBondContact SD-NE2 3.41Å; M10-Q41 VanDerWaalsContact SD-NE2 3.43Å; M10-Q41 PolarHBondContact SD-OE1 3.1Å; L25-Q41 HydrophobicContact CD1-CB 3.5Å; L25-Q41 HydrophobicContact CD2-CB 3.86Å; L25-Q41 HydrophobicContact CG-CB 4.33Å; S37-Q41 VanDerWaalsContact O-CG 3.23Å; S37-Q41 WeakPolarHBondContact O-CG 3.48Å; S37-Q41 PolarHBondContact O-N 2.92Å; Y38-Q41 PolarHBondContact O-N 3.23Å; Y38-Q41 VanDerWaalsContact O-N 3.14Å; I39-Q41 PolarHBondContact O-N 3.43Å; Q41-C44 PolarHBondContact O-N 3.27Å; Q41-S45 WeakPolarHBondContact O-CB 3.28Å; Q41-S45 PolarHBondContact O-N 2.89Å; Q41-S45 PolarHBondContact O-OG 3.22Å
42I83.4Confident77.4Confident7 Ų741.9 Ų41.94%0.03621%0.208CC..Hα-helixtrans-61.8-48.1171.2-66167.5000109.7L25 E26 L29 Y38 I39 K40 C44 S45 L46 V58L25-I42 HydrophobicContact CB-CD1 4.02Å; L25-I42 HydrophobicContact CB-CG1 3.46Å; L25-I42 VanDerWaalsContact CB-CG1 3.46Å; L25-I42 HydrophobicContact CD1-CG1 4.11Å; L25-I42 HydrophobicContact CG-CG1 4.42Å; E26-I42 HydrophobicContact CG-CD1 4.27Å; L29-I42 HydrophobicContact CB-CD1 4.36Å; L29-I42 HydrophobicContact CD2-CD1 3.97Å; Y38-I42 WeakPolarHBondContact O-CG1 3.41Å; Y38-I42 PolarHBondContact O-N 2.92Å; I39-I42 PolarHBondContact O-N 3.01Å; K40-I42 VanDerWaalsContact C-N 3.31Å; K40-I42 PolarHBondContact O-N 3.42Å; I42-C44 PolarHBondContact O-N 3.19Å; I42-S45 PolarHBondContact O-N 3.48Å; I42-L46 HydrophobicContact CG2-CD1 3.9Å; I42-L46 HydrophobicContact CG2-CG 4.41Å; I42-L46 WeakPolarHBondContact O-CG 3.22Å; I42-L46 PolarHBondContact O-N 2.88Å; I42-V58 HydrophobicContact CB-CG1 4.24Å; I42-V58 HydrophobicContact CG2-CG1 4.1Å; I42-V58 HydrophobicContact CG2-CG2 4.09Å
43G79.5Confident77.1Confident0 Ų045.9 Ų45.90%022%0.224CC..Hα-helixtrans-53.8-52.6174.400000111.5I39 K40 S45 L46 L47I39-G43 PolarHBondContact O-N 3.28Å; K40-G43 PolarHBondContact O-N 2.88Å; G43-S45 PolarHBondContact O-N 3.42Å; G43-L46 PolarHBondContact O-N 2.92Å; G43-L47 VanDerWaalsContact O-CG 3.31Å; G43-L47 WeakPolarHBondContact O-CG 3.37Å; G43-L47 PolarHBondContact O-N 3.21Å
44C74.5Confident77.3Confident12 Ų1243.5 Ų43.58%0.08122%0.219CC..Hα-helixtrans-58-42.7176.8-68.30000113.2K40 Q41 I42 L47 F48K40-C44 PolarHBondContact O-N 2.98Å; K40-C44 PolarHBondContact O-SG 3.38Å; K40-C44 VanDerWaalsContact O-SG 3.33Å; Q41-C44 PolarHBondContact O-N 3.27Å; I42-C44 PolarHBondContact O-N 3.19Å; C44-L47 WeakPolarHBondContact O-CB 3.44Å; C44-L47 PolarHBondContact O-N 3.07Å; C44-F48 PolarHBondContact O-N 3.45Å
45S82.3Confident77.6Confident0 Ų038 Ų380%020%0.195CC..Hα-helixtrans-65.9-39.2178.1-64.70000112S21 Q41 I42 G43 L47 F48 I49S21-S45 PolarHBondContact OG-OG 3.44Å; S21-S45 VanDerWaalsContact OG-OG 3.07Å; Q41-S45 WeakPolarHBondContact O-CB 3.28Å; Q41-S45 PolarHBondContact O-N 2.89Å; Q41-S45 PolarHBondContact O-OG 3.22Å; I42-S45 PolarHBondContact O-N 3.48Å; G43-S45 PolarHBondContact O-N 3.42Å; S45-L47 VanDerWaalsContact C-N 3.32Å; S45-L47 PolarHBondContact O-N 3.43Å; S45-F48 WeakPolarHBondContact O-CB 3.48Å; S45-F48 PolarHBondContact O-N 2.96Å; S45-I49 WeakPolarHBondContact O-CG1 3.39Å; S45-I49 PolarHBondContact O-N 3.38Å; S45-I49 VanDerWaalsContact O-N 3.16Å
46L83.6Confident77.4Confident12 Ų1237.3 Ų37.36%0.06319%0.19CC..Hα-helixtrans-64.9-37173.8-71.4167.4000111.8I22 I42 G43 F48 I49 G50 E51 K54 A55 V58I22-L46 HydrophobicContact CD1-CD2 3.62Å; I22-L46 HydrophobicContact CD1-CG 3.93Å; I42-L46 HydrophobicContact CG2-CD1 3.9Å; I42-L46 HydrophobicContact CG2-CG 4.41Å; I42-L46 WeakPolarHBondContact O-CG 3.22Å; I42-L46 PolarHBondContact O-N 2.88Å; G43-L46 PolarHBondContact O-N 2.92Å; L46-F48 VanDerWaalsContact C-N 3.32Å; L46-I49 PolarHBondContact O-N 3.01Å; L46-G50 PolarHBondContact O-N 3.18Å; L46-G50 VanDerWaalsContact O-N 3.12Å; L46-E51 HydrophobicContact CD2-CB 4.19Å; L46-E51 WeakPolarHBondContact CD2-OE2 3.46Å; L46-E51 PolarHBondContact O-N 2.97Å; L46-K54 HydrophobicContact CD1-CB 3.95Å; L46-K54 HydrophobicContact CD2-CB 4.1Å; L46-K54 HydrophobicContact CD2-CD 4.49Å; L46-A55 HydrophobicContact CB-CB 3.76Å; L46-A55 HydrophobicContact CD1-CB 4.49Å; L46-V58 HydrophobicContact CD1-CB 4.48Å; L46-V58 HydrophobicContact CD1-CG2 3.74Å
47L75Confident77.7Confident11 Ų1137.3 Ų37.36%0.05820%0.195CC..Hα-helixtrans-64.2-37.9173.1-65.1-172.7000112.5G43 C44 S45 I49 G50 A55 F59 A86G43-L47 VanDerWaalsContact O-CG 3.31Å; G43-L47 WeakPolarHBondContact O-CG 3.37Å; G43-L47 PolarHBondContact O-N 3.21Å; C44-L47 WeakPolarHBondContact O-CB 3.44Å; C44-L47 PolarHBondContact O-N 3.07Å; S45-L47 VanDerWaalsContact C-N 3.32Å; S45-L47 PolarHBondContact O-N 3.43Å; L47-I49 VanDerWaalsContact C-N 3.32Å; L47-I49 PolarHBondContact O-N 3.08Å; L47-G50 PolarHBondContact O-N 3.43Å; L47-A55 HydrophobicContact CD2-CB 3.29Å; L47-A55 HydrophobicContact CG-CB 3.92Å; L47-F59 HydrophobicContact CD1-CE2 4Å; L47-F59 HydrophobicContact CD1-CZ 4.12Å; L47-F59 HydrophobicContact CG-CE2 4.32Å; L47-A86 HydrophobicContact CD1-CB 3.45Å; L47-A86 VanDerWaalsContact CD1-CB 3.45Å; L47-A86 HydrophobicContact CD2-CB 3.15Å; L47-A86 HydrophobicContact CG-CB 3.87Å
48F75.9Confident78Confident111 Ų11136.8 Ų36.849%0.48719%0.19SC..Hα-helixtrans-65.6-34.7177.1-170.2-92000112.6L13 A18 C44 S45 L46 G50L13-F48 HydrophobicContact CD1-CB 3.95Å; L13-F48 HydrophobicContact CD1-CD1 4.31Å; L13-F48 HydrophobicContact CD1-CG 4.03Å; A18-F48 HydrophobicContact CB-CD1 3.82Å; C44-F48 PolarHBondContact O-N 3.45Å; S45-F48 WeakPolarHBondContact O-CB 3.48Å; S45-F48 PolarHBondContact O-N 2.96Å; L46-F48 VanDerWaalsContact C-N 3.32Å; F48-G50 VanDerWaalsContact C-N 3.32Å
49I82.7Confident77.6Confident63 Ų6335.8 Ų35.832%0.32319%0.187SC..Hα-helixtrans-75.8-22.6175.7-61.4167000111.7A18 D19 I22 S45 L46 L47 E51A18-I49 HydrophobicContact CB-CD1 3.62Å; A18-I49 HydrophobicContact CB-CG1 3.35Å; D19-I49 WeakPolarHBondContact OD1-CD1 3.31Å; I22-I49 HydrophobicContact CD1-CD1 3.47Å; I22-I49 VanDerWaalsContact CD1-CD1 3.47Å; S45-I49 WeakPolarHBondContact O-CG1 3.39Å; S45-I49 PolarHBondContact O-N 3.38Å; S45-I49 VanDerWaalsContact O-N 3.16Å; L46-I49 PolarHBondContact O-N 3.01Å; L47-I49 VanDerWaalsContact C-N 3.32Å; L47-I49 PolarHBondContact O-N 3.08Å; I49-E51 HydrophobicContact CG2-CG 4.04Å
50G76.5Confident77.2Confident36 Ų3638.4 Ų38.437%0.37120%0.201SC..THydrogen-bonded Turntrans91.19.7-174.100000114.1L46 L47 F48 H52L46-G50 PolarHBondContact O-N 3.18Å; L46-G50 VanDerWaalsContact O-N 3.12Å; L47-G50 PolarHBondContact O-N 3.43Å; F48-G50 VanDerWaalsContact C-N 3.32Å; G50-H52 PolarHBondContact O-CD2 3.36Å; G50-H52 PolarHBondContact O-N 2.79Å
51E81.4Confident77.2Confident73 Ų7341.8 Ų41.834%0.34122%0.217SC..  trans-81.965.7174.5-68.1-161.715100111.3L46 I49 E53 K54 A55L46-E51 HydrophobicContact CD2-CB 4.19Å; L46-E51 WeakPolarHBondContact CD2-OE2 3.46Å; L46-E51 PolarHBondContact O-N 2.97Å; I49-E51 HydrophobicContact CG2-CG 4.04Å; E51-E53 VanDerWaalsContact C-N 3.32Å; E51-E53 PolarHBondContact O-N 3.16Å; E51-K54 HydrophobicContact CB-CB 4.46Å; E51-K54 PolarHBondContact O-N 3.06Å; E51-K54 IonicContact OE1-NZ 3.67Å; E51-K54 PolarHBondContact OE1-NZ 3.04Å; E51-K54 WeakPolarHBondContact OE2-CD 3.33Å; E51-K54 WeakPolarHBondContact OE2-CE 3.48Å; E51-K54 IonicContact OE2-NZ 2.99Å; E51-K54 PolarHBondContact OE2-NZ 3.19Å; E51-A55 PolarHBondContact O-N 3.29Å; E51-A55 VanDerWaalsContact O-N 3.08Å
52H72.1Confident76.8Confident29 Ų2941.2 Ų41.213%0.13422%0.215CC..Hα-helixtrans-60.9-37.3-173.7-56.5-67.6000113.3G50 A55 I56 R89G50-H52 PolarHBondContact O-CD2 3.36Å; G50-H52 PolarHBondContact O-N 2.79Å; H52-A55 PolarHBondContact O-N 2.94Å; H52-I56 WeakPolarHBondContact O-CD1 3.45Å; H52-I56 WeakPolarHBondContact O-CG1 3.26Å; H52-I56 PolarHBondContact O-N 3.42Å; H52-R89 PolarHBondContact CD2-NH1 3.02Å; H52-R89 VanDerWaalsContact NE2-CZ 3.35Å; H52-R89 PolarHBondContact NE2-NH1 3.28Å
53E74.3Confident76Confident146 Ų14642.1 Ų42.168%0.68222%0.22SC*.Hα-helixtrans-62.3-44.7179.6-67.2-176.5172.500112.1E51 I56 G57 L93E51-E53 VanDerWaalsContact C-N 3.32Å; E51-E53 PolarHBondContact O-N 3.16Å; E53-I56 PolarHBondContact O-N 3.24Å; E53-G57 PolarHBondContact O-N 3.27Å; E53-L93 HydrophobicContact CG-CD1 4.35Å
54K81.7Confident75.4Confident119 Ų11947.5 Ų47.552%0.51725%0.252SS..Hα-helixtrans-67.5-39.4176.6-61.2-164.7-157.1151.50111L46 E51 I56 G57 V58L46-K54 HydrophobicContact CD1-CB 3.95Å; L46-K54 HydrophobicContact CD2-CB 4.1Å; L46-K54 HydrophobicContact CD2-CD 4.49Å; E51-K54 HydrophobicContact CB-CB 4.46Å; E51-K54 PolarHBondContact O-N 3.06Å; E51-K54 IonicContact OE1-NZ 3.67Å; E51-K54 PolarHBondContact OE1-NZ 3.04Å; E51-K54 WeakPolarHBondContact OE2-CD 3.33Å; E51-K54 WeakPolarHBondContact OE2-CE 3.48Å; E51-K54 IonicContact OE2-NZ 2.99Å; E51-K54 PolarHBondContact OE2-NZ 3.19Å; K54-I56 VanDerWaalsContact C-N 3.31Å; K54-I56 PolarHBondContact O-N 3.22Å; K54-G57 PolarHBondContact O-N 3.31Å; K54-V58 WeakPolarHBondContact O-CG2 3.26Å; K54-V58 PolarHBondContact O-N 2.97Å
55A77.7Confident74.9Confident0 Ų052.1 Ų52.10%027%0.269CS..Hα-helixtrans-60.1-42.3176.700000111.7L46 L47 E51 H52 V58 F59L46-A55 HydrophobicContact CB-CB 3.76Å; L46-A55 HydrophobicContact CD1-CB 4.49Å; L47-A55 HydrophobicContact CD2-CB 3.29Å; L47-A55 HydrophobicContact CG-CB 3.92Å; E51-A55 PolarHBondContact O-N 3.29Å; E51-A55 VanDerWaalsContact O-N 3.08Å; H52-A55 PolarHBondContact O-N 2.94Å; A55-V58 PolarHBondContact O-N 2.99Å; A55-F59 HydrophobicContact CB-CE2 4.13Å; A55-F59 WeakPolarHBondContact O-CD2 3Å; A55-F59 WeakPolarHBondContact O-CG 2.9Å; A55-F59 PolarHBondContact O-N 3.49Å
56I71.9Confident73.7Confident21 Ų2154 Ų5411%0.10828%0.277CS..Hα-helixtrans-59.1-47.8175.5-67158.3000110.5H52 E53 K54 V58 F59 D60 A90 H97H52-I56 WeakPolarHBondContact O-CD1 3.45Å; H52-I56 WeakPolarHBondContact O-CG1 3.26Å; H52-I56 PolarHBondContact O-N 3.42Å; E53-I56 PolarHBondContact O-N 3.24Å; K54-I56 VanDerWaalsContact C-N 3.31Å; K54-I56 PolarHBondContact O-N 3.22Å; I56-V58 VanDerWaalsContact C-N 3.3Å; I56-V58 PolarHBondContact O-N 3.38Å; I56-F59 PolarHBondContact O-N 2.94Å; I56-F59 VanDerWaalsContact O-N 3.12Å; I56-D60 PolarHBondContact O-N 2.8Å; I56-A90 HydrophobicContact CD1-CB 3.3Å; I56-A90 HydrophobicContact CG1-CB 3.64Å; I56-H97 WeakPolarHBondContact CG2-NE2 3.4Å
57G76.3Confident72.3Confident31 Ų3155.3 Ų55.332%0.3229%0.288SS..Hα-helixtrans-58.2-40.7176.600000113.1E53 K54 D60 E61E53-G57 PolarHBondContact O-N 3.27Å; K54-G57 PolarHBondContact O-N 3.31Å; G57-D60 WeakPolarHBondContact O-CB 3.5Å; G57-D60 PolarHBondContact O-N 3.29Å; G57-E61 WeakPolarHBondContact O-CG 3.32Å; G57-E61 PolarHBondContact O-N 3.27Å
58V79.1Confident71.1Confident24 Ų2456.1 Ų56.115%0.14529%0.292CS..Hα-helixtrans-65.8-39.2175.81740000111.7I39 I42 L46 K54 A55 I56 E61 A62I39-V58 HydrophobicContact CG2-CG1 3.52Å; I39-V58 WeakPolarHBondContact CG2-O 3.5Å; I39-V58 WeakPolarHBondContact O-CG1 3.34Å; I42-V58 HydrophobicContact CB-CG1 4.24Å; I42-V58 HydrophobicContact CG2-CG1 4.1Å; I42-V58 HydrophobicContact CG2-CG2 4.09Å; L46-V58 HydrophobicContact CD1-CB 4.48Å; L46-V58 HydrophobicContact CD1-CG2 3.74Å; K54-V58 WeakPolarHBondContact O-CG2 3.26Å; K54-V58 PolarHBondContact O-N 2.97Å; A55-V58 PolarHBondContact O-N 2.99Å; I56-V58 VanDerWaalsContact C-N 3.3Å; I56-V58 PolarHBondContact O-N 3.38Å; V58-E61 PolarHBondContact O-N 2.95Å; V58-A62 PolarHBondContact O-N 3.14Å
59F71.9Confident70Confident4 Ų454.9 Ų54.92%0.01829%0.291CS..Hα-helixtrans-69.3-35.5175-66.9-52.8000112.7L47 A55 I56 E61 A62 L63 W70 F87L47-F59 HydrophobicContact CD1-CE2 4Å; L47-F59 HydrophobicContact CD1-CZ 4.12Å; L47-F59 HydrophobicContact CG-CE2 4.32Å; A55-F59 HydrophobicContact CB-CE2 4.13Å; A55-F59 WeakPolarHBondContact O-CD2 3Å; A55-F59 WeakPolarHBondContact O-CG 2.9Å; A55-F59 PolarHBondContact O-N 3.49Å; I56-F59 PolarHBondContact O-N 2.94Å; I56-F59 VanDerWaalsContact O-N 3.12Å; F59-E61 VanDerWaalsContact C-N 3.34Å; F59-A62 WeakPolarHBondContact O-CB 3.47Å; F59-A62 PolarHBondContact O-N 3.43Å; F59-L63 WeakPolarHBondContact O-CG 3.26Å; F59-L63 PolarHBondContact O-N 3.09Å; F59-W70 HydrophobicContact CB-CH2 4.43Å; F59-W70 HydrophobicContact CB-CZ3 4.48Å; F59-W70 HydrophobicContact CD1-CE3 4.22Å; F59-W70 HydrophobicContact CD1-CH2 4.47Å; F59-W70 AromaticContact CD1-CZ3 3.72Å; F59-W70 HydrophobicContact CD1-CZ3 3.72Å; F59-W70 HydrophobicContact CE1-CZ3 4.28Å; F59-W70 HydrophobicContact CG-CZ3 4.27Å; F59-F87 HydrophobicContact CB-CE1 4.23Å; F59-F87 HydrophobicContact CB-CZ 4.47Å; F59-F87 HydrophobicContact CD1-CZ 4.26Å; F59-F87 AromaticContact CD2-CE1 3.61Å; F59-F87 HydrophobicContact CD2-CE1 3.61Å; F59-F87 AromaticContact CD2-CZ 3.53Å; F59-F87 HydrophobicContact CD2-CZ 3.53Å; F59-F87 HydrophobicContact CE1-CZ 4.41Å; F59-F87 HydrophobicContact CE2-CE1 4.17Å; F59-F87 HydrophobicContact CE2-CE2 4.45Å; F59-F87 AromaticContact CE2-CZ 3.71Å; F59-F87 HydrophobicContact CE2-CZ 3.71Å; F59-F87 AromaticContact CG-CE1 4Å; F59-F87 HydrophobicContact CG-CE1 4Å; F59-F87 AromaticContact CG-CZ 3.85Å; F59-F87 HydrophobicContact CG-CZ 3.85Å; F59-F87 HydrophobicContact CZ-CZ 4.16Å
60D70.7Confident68.4Low59 Ų5952.1 Ų52.132%0.31628%0.276SS..Hα-helixtrans-61.8-44.1172.7-77.8-25000111.2I56 G57 L63 V64 H97 A99I56-D60 PolarHBondContact O-N 2.8Å; G57-D60 WeakPolarHBondContact O-CB 3.5Å; G57-D60 PolarHBondContact O-N 3.29Å; D60-L63 WeakPolarHBondContact O-CB 3.39Å; D60-L63 PolarHBondContact O-N 3.39Å; D60-V64 WeakPolarHBondContact O-CG2 3.44Å; D60-V64 PolarHBondContact O-N 3.11Å; D60-H97 VanDerWaalsContact CG-CE1 3.48Å; D60-H97 IonicContact OD1-CE1 3.82Å; D60-H97 PolarHBondContact OD1-CE1 2.94Å; D60-H97 IonicContact OD1-NE2 3.84Å; D60-H97 PolarHBondContact OD1-NE2 3.06Å; D60-H97 IonicContact OD2-CE1 3.86Å; D60-H97 PolarHBondContact OD2-CE1 2.92Å; D60-H97 IonicContact OD2-NE2 2.64Å; D60-A99 WeakPolarHBondContact OD1-CB 3.14Å
61E73.1Confident67.2Low104 Ų10450.6 Ų50.649%0.48626%0.26SS..Hα-helixtrans-60.5-45.1172.9-73.7-176.6-174.200111.4G57 V58 F59 L63 V64 Y65G57-E61 WeakPolarHBondContact O-CG 3.32Å; G57-E61 PolarHBondContact O-N 3.27Å; V58-E61 PolarHBondContact O-N 2.95Å; F59-E61 VanDerWaalsContact C-N 3.34Å; E61-L63 PolarHBondContact O-N 3.15Å; E61-V64 PolarHBondContact O-N 3.38Å; E61-V64 VanDerWaalsContact O-N 3.13Å; E61-Y65 HydrophobicContact CB-CE2 4.18Å; E61-Y65 WeakPolarHBondContact O-CD2 3.43Å; E61-Y65 PolarHBondContact O-N 2.78Å
62A70Confident65.7Low3 Ų349.5 Ų49.53%0.02526%0.26CS..Hα-helixtrans-55.3-41176.800000112.2I39 V58 F59 V64 Y65 Q66I39-A62 HydrophobicContact CB-CB 4.44Å; I39-A62 HydrophobicContact CG2-CB 3.59Å; V58-A62 PolarHBondContact O-N 3.14Å; F59-A62 WeakPolarHBondContact O-CB 3.47Å; F59-A62 PolarHBondContact O-N 3.43Å; A62-V64 VanDerWaalsContact C-N 3.34Å; A62-V64 PolarHBondContact O-N 3.16Å; A62-Y65 PolarHBondContact O-N 3.21Å; A62-Q66 PolarHBondContact O-N 3.29Å
63L65.1Low64.5Low27 Ų2752.4 Ų52.414%0.14128%0.277CS..Hα-helixtrans-68.9-29.5-179.3-85.6164000114.1F59 D60 E61 W70 A99 F102F59-L63 WeakPolarHBondContact O-CG 3.26Å; F59-L63 PolarHBondContact O-N 3.09Å; D60-L63 WeakPolarHBondContact O-CB 3.39Å; D60-L63 PolarHBondContact O-N 3.39Å; E61-L63 PolarHBondContact O-N 3.15Å; L63-W70 HydrophobicContact CD1-CH2 4.46Å; L63-W70 HydrophobicContact CD1-CZ2 3.71Å; L63-W70 HydrophobicContact CD2-CZ2 3.58Å; L63-W70 HydrophobicContact CG-CZ2 3.48Å; L63-W70 VanDerWaalsContact CG-CZ2 3.48Å; L63-A99 HydrophobicContact CD1-CB 3.08Å; L63-F102 HydrophobicContact CD2-CD1 4.2Å; L63-F102 HydrophobicContact CD2-CE1 4.47Å
64V68Low63.3Low113 Ų11345.6 Ų45.669%0.68525%0.245SC*.Hα-helixtrans-70.3-45.2175.9173.60000110.1D60 E61 A62D60-V64 WeakPolarHBondContact O-CG2 3.44Å; D60-V64 PolarHBondContact O-N 3.11Å; E61-V64 PolarHBondContact O-N 3.38Å; E61-V64 VanDerWaalsContact O-N 3.13Å; A62-V64 VanDerWaalsContact C-N 3.34Å; A62-V64 PolarHBondContact O-N 3.16Å
65Y63.6Low62Low108 Ų10840.5 Ų40.542%0.42422%0.223SC..Hα-helixtrans-82.3-23.8-172.6-60.1-59.3000113.7F34 E61 A62F34-Y65 AromaticContact CD1-CD1 3.5Å; F34-Y65 HydrophobicContact CD1-CD1 3.5Å; F34-Y65 VanDerWaalsContact CD1-CD1 3.5Å; F34-Y65 HydrophobicContact CD1-CD2 4.46Å; F34-Y65 HydrophobicContact CD1-CE1 4.03Å; F34-Y65 AromaticContact CD1-CG 3.76Å; F34-Y65 HydrophobicContact CD1-CG 3.76Å; F34-Y65 AromaticContact CE1-CD1 3.45Å; F34-Y65 HydrophobicContact CE1-CD1 3.45Å; F34-Y65 VanDerWaalsContact CE1-CD1 3.45Å; F34-Y65 AromaticContact CE1-CE1 3.55Å; F34-Y65 HydrophobicContact CE1-CE1 3.55Å; F34-Y65 HydrophobicContact CE1-CG 4.16Å; E61-Y65 HydrophobicContact CB-CE2 4.18Å; E61-Y65 WeakPolarHBondContact O-CD2 3.43Å; E61-Y65 PolarHBondContact O-N 2.78Å; A62-Y65 PolarHBondContact O-N 3.21Å
66Q56.6Low60.7Low39 Ų3944 Ų4418%0.18225%0.251CS..  trans-135.7139.3-171.5-69.2179.8-15.900115.3F34 S36 A62F34-Q66 PolarHBondContact O-NE2 3.26Å; S36-Q66 VanDerWaalsContact CB-CD 3.43Å; S36-Q66 VanDerWaalsContact CB-NE2 3.26Å; A62-Q66 PolarHBondContact O-N 3.29Å
67S54.4Low59.7Low41 Ų4148.8 Ų48.829%0.28728%0.281SS..SBendtrans-81.8115.3170.160.80000110.2D69 K167S67-D69 VanDerWaalsContact C-N 3.27Å; S67-D69 PolarHBondContact O-N 3.13Å; S67-K167 PolarHBondContact O-NZ 3.29Å
68N50.4Low58.7Low27 Ų2754.2 Ų54.214%0.14430%0.303CS..SBendtrans52-18.9159.6-70.610.8000122.4W70 V71 F102 K167N68-W70 PolarHBondContact O-N 3.31Å; N68-V71 PolarHBondContact O-N 2.97Å; N68-F102 WeakPolarHBondContact OD1-CZ 3.36Å; N68-K167 HydrophobicContact CB-CD 4.19Å
69D51.6Low57.9Low86 Ų8655.8 Ų55.846%0.4631%0.311SS..Hα-helixtrans-73-22.2-174.6-64.2-12.3000111.9S67 V71 S72 D73 K167S67-D69 VanDerWaalsContact C-N 3.27Å; S67-D69 PolarHBondContact O-N 3.13Å; D69-V71 VanDerWaalsContact C-N 3.25Å; D69-V71 PolarHBondContact O-N 3.43Å; D69-S72 PolarHBondContact O-N 3.45Å; D69-S72 PolarHBondContact O-OG 3.44Å; D69-S72 VanDerWaalsContact O-OG 3.09Å; D69-D73 WeakPolarHBondContact O-CB 3.47Å; D69-D73 PolarHBondContact O-N 3.39Å; D69-D73 VanDerWaalsContact O-N 3.15Å; D69-K167 IonicContact OD1-NZ 3.21Å; D69-K167 PolarHBondContact OD1-NZ 3.39Å; D69-K167 IonicContact OD2-NZ 3.32Å
70W49.7Very low57.6Low5 Ų557.3 Ų57.32%0.01932%0.317CS..Hα-helixtrans-63.2-31.9176.978.4-90.3000111.9F59 L63 N68 V74 F87 F102 A103F59-W70 HydrophobicContact CB-CH2 4.43Å; F59-W70 HydrophobicContact CB-CZ3 4.48Å; F59-W70 HydrophobicContact CD1-CE3 4.22Å; F59-W70 HydrophobicContact CD1-CH2 4.47Å; F59-W70 AromaticContact CD1-CZ3 3.72Å; F59-W70 HydrophobicContact CD1-CZ3 3.72Å; F59-W70 HydrophobicContact CE1-CZ3 4.28Å; F59-W70 HydrophobicContact CG-CZ3 4.27Å; L63-W70 HydrophobicContact CD1-CH2 4.46Å; L63-W70 HydrophobicContact CD1-CZ2 3.71Å; L63-W70 HydrophobicContact CD2-CZ2 3.58Å; L63-W70 HydrophobicContact CG-CZ2 3.48Å; L63-W70 VanDerWaalsContact CG-CZ2 3.48Å; N68-W70 PolarHBondContact O-N 3.31Å; W70-V74 HydrophobicContact CE3-CG2 3.99Å; W70-V74 WeakPolarHBondContact O-CB 3.5Å; W70-V74 WeakPolarHBondContact O-CG2 3.34Å; W70-V74 PolarHBondContact O-N 3.39Å; W70-F87 HydrophobicContact CH2-CE1 4.38Å; W70-F87 HydrophobicContact CH2-CZ 4.03Å; W70-F87 HydrophobicContact CZ3-CZ 4.02Å; W70-F102 HydrophobicContact CZ2-CD1 4.2Å; W70-A103 HydrophobicContact CH2-CB 3.77Å; W70-A103 HydrophobicContact CZ2-CB 4.47Å
71V51.3Low57.4Low3 Ų364 Ų642%0.01834%0.338CS..Hα-helixtrans-87.6-16-176.5-168.80000114.4N68 D69 Y75 F102 A106 V107N68-V71 PolarHBondContact O-N 2.97Å; D69-V71 VanDerWaalsContact C-N 3.25Å; D69-V71 PolarHBondContact O-N 3.43Å; V71-Y75 HydrophobicContact CB-CE2 4.12Å; V71-Y75 HydrophobicContact CG1-CD2 4.04Å; V71-Y75 HydrophobicContact CG1-CE2 3.52Å; V71-Y75 WeakPolarHBondContact O-CD2 3.4Å; V71-Y75 WeakPolarHBondContact O-CE2 3.38Å; V71-F102 HydrophobicContact CB-CE1 4.17Å; V71-F102 HydrophobicContact CG2-CD1 3.89Å; V71-F102 HydrophobicContact CG2-CE1 3.48Å; V71-F102 VanDerWaalsContact CG2-CE1 3.48Å; V71-A106 HydrophobicContact CB-CB 4.28Å; V71-A106 HydrophobicContact CG1-CB 3.32Å; V71-V107 HydrophobicContact CG1-CG2 4.36Å
72S49.4Very low57.1Low51 Ų5162.3 Ų62.336%0.35733%0.332SS..Hα-helixtrans-82.5-40.6167.350.60000110.5D69D69-S72 PolarHBondContact O-N 3.45Å; D69-S72 PolarHBondContact O-OG 3.44Å; D69-S72 VanDerWaalsContact O-OG 3.09Å
73D48.3Very low57Low89 Ų8962.3 Ų62.348%0.47633%0.332SS..Hα-helixtrans-80.5-36.8-172.7-69.5-5.2000112.3K40 D69 Y75K40-D73 VanDerWaalsContact NZ-C 3.29Å; K40-D73 PolarHBondContact NZ-O 3.23Å; D69-D73 WeakPolarHBondContact O-CB 3.47Å; D69-D73 PolarHBondContact O-N 3.39Å; D69-D73 VanDerWaalsContact O-N 3.15Å; D73-Y75 PolarHBondContact O-N 3.3Å
74V49.6Very low57.3Low4 Ų462.8 Ų62.82%0.02434%0.335CS..THydrogen-bonded Turntrans-54.6-26.5177.4167.70000112.7K40 W70K40-V74 HydrophobicContact CB-CG2 3.71Å; K40-V74 HydrophobicContact CD-CB 4.14Å; K40-V74 HydrophobicContact CD-CG2 3.47Å; K40-V74 VanDerWaalsContact CD-CG2 3.47Å; K40-V74 VanDerWaalsContact CE-CA 3.48Å; K40-V74 HydrophobicContact CG-CB 4.44Å; K40-V74 HydrophobicContact CG-CG2 3.48Å; K40-V74 VanDerWaalsContact CG-CG2 3.48Å; W70-V74 HydrophobicContact CE3-CG2 3.99Å; W70-V74 WeakPolarHBondContact O-CB 3.5Å; W70-V74 WeakPolarHBondContact O-CG2 3.34Å; W70-V74 PolarHBondContact O-N 3.39Å
75Y52.8Low57.5Low12 Ų1262.6 Ų62.65%0.04733%0.326CS..THydrogen-bonded Turntrans-111.523.7-162.6-59.7-87.7000114.2V71 D73 V77 A83 F87 V107V71-Y75 HydrophobicContact CB-CE2 4.12Å; V71-Y75 HydrophobicContact CG1-CD2 4.04Å; V71-Y75 HydrophobicContact CG1-CE2 3.52Å; V71-Y75 WeakPolarHBondContact O-CD2 3.4Å; V71-Y75 WeakPolarHBondContact O-CE2 3.38Å; D73-Y75 PolarHBondContact O-N 3.3Å; Y75-V77 VanDerWaalsContact C-N 3.35Å; Y75-V77 PolarHBondContact O-N 2.88Å; Y75-A83 HydrophobicContact CD1-CB 3.98Å; Y75-A83 HydrophobicContact CE1-CB 3.28Å; Y75-F87 HydrophobicContact CE1-CE2 4.42Å; Y75-F87 AromaticContact CZ-CE2 3.99Å; Y75-F87 WeakPolarHBondContact OH-CE2 3.4Å; Y75-V107 HydrophobicContact CD1-CB 4.22Å; Y75-V107 HydrophobicContact CD1-CG1 3.91Å; Y75-V107 HydrophobicContact CD1-CG2 3.26Å; Y75-V107 HydrophobicContact CD2-CG2 3.93Å; Y75-V107 HydrophobicContact CE1-CB 4.07Å; Y75-V107 HydrophobicContact CE1-CG1 3.99Å; Y75-V107 HydrophobicContact CE1-CG2 2.88Å; Y75-V107 HydrophobicContact CE2-CG2 3.63Å; Y75-V107 HydrophobicContact CG-CG2 3.7Å; Y75-V107 WeakPolarHBondContact OH-CG2 3.08Å
76A51.8Low57.8Low72 Ų7257.5 Ų57.560%0.59531%0.307SS*.SBendtrans-57.599.3163.800000110.2D78A76-D78 PolarHBondContact O-N 3.13Å
77V50Low58.6Low122 Ų12255.8 Ų55.874%0.73930%0.299SS*.THydrogen-bonded Turntrans43.4-40.2161.8-168.30000119.6Y75Y75-V77 VanDerWaalsContact C-N 3.35Å; Y75-V77 PolarHBondContact O-N 2.88Å
78D56.1Low59.6Low146 Ų14655.5 Ų55.578%0.78130%0.302SS*.THydrogen-bonded Turntrans-97.4-21.8-168.3-72.2-24.8000114.8A76A76-D78 PolarHBondContact O-N 3.13Å
79N62.6Low60.7Low56 Ų5660.5 Ų60.530%0.29932%0.319SS..SBendtrans-108.48.8-175.4-72.2-20.1000115.1R81 L82 A83N79-R81 VanDerWaalsContact C-N 3.33Å; N79-R81 PolarHBondContact O-N 3.13Å; N79-L82 PolarHBondContact O-N 3.35Å; N79-A83 WeakPolarHBondContact O-CB 3.49Å; N79-A83 PolarHBondContact O-N 3.33Å
80F64.7Low61.7Low37 Ų3756.5 Ų56.516%0.16230%0.298CS..Hα-helixtrans-51.5-48.1-178.2169.3-102.2000113.3A83 L84 V107 H111F80-A83 PolarHBondContact O-N 3.34Å; F80-L84 HydrophobicContact CD1-CD1 4.2Å; F80-L84 HydrophobicContact CD2-CD1 4.27Å; F80-L84 HydrophobicContact CD2-CG 4.38Å; F80-L84 HydrophobicContact CE1-CD1 3.49Å; F80-L84 VanDerWaalsContact CE1-CD1 3.49Å; F80-L84 HydrophobicContact CE1-CG 4.43Å; F80-L84 HydrophobicContact CE2-CD1 3.61Å; F80-L84 HydrophobicContact CE2-CG 4.08Å; F80-L84 HydrophobicContact CZ-CD1 3.17Å; F80-L84 HydrophobicContact CZ-CG 4.12Å; F80-L84 PolarHBondContact O-N 3.23Å; F80-V107 HydrophobicContact CD2-CG1 3.21Å; F80-V107 HydrophobicContact CE2-CB 4.47Å; F80-V107 HydrophobicContact CE2-CG1 3.17Å; F80-V107 HydrophobicContact CG-CG1 4.42Å; F80-V107 HydrophobicContact CZ-CG1 4.33Å; F80-H111 AromaticContact CD2-CD2 3.05Å; F80-H111 WeakPolarHBondContact CD2-CD2 3.12Å; F80-H111 AromaticContact CD2-CE1 3.57Å; F80-H111 AromaticContact CD2-CG 3.71Å; F80-H111 AromaticContact CD2-ND1 3.99Å; F80-H111 AromaticContact CD2-NE2 2.95Å; F80-H111 WeakPolarHBondContact CD2-NE2 3.42Å; F80-H111 HydrophobicContact CE2-CB 3.94Å; F80-H111 AromaticContact CE2-CD2 3.04Å; F80-H111 WeakPolarHBondContact CE2-CD2 3.38Å; F80-H111 AromaticContact CE2-CE1 3.94Å; F80-H111 AromaticContact CE2-CG 3.32Å; F80-H111 AromaticContact CE2-ND1 3.88Å; F80-H111 AromaticContact CE2-NE2 3.48Å; F80-H111 WeakPolarHBondContact CE2-NE2 3.43Å; F80-H111 AromaticContact CG-CD2 3.92Å; F80-H111 AromaticContact CG-CE1 3.62Å; F80-H111 AromaticContact CG-NE2 3.39Å; F80-H111 WeakPolarHBondContact CG-NE2 3.22Å; F80-H111 HydrophobicContact CZ-CB 4.16Å; F80-H111 AromaticContact CZ-CD2 3.94Å; F80-H111 AromaticContact CZ-CG 3.76Å
81R67.2Low62.8Low199 Ų19957.6 Ų57.675%0.75130%0.304SS*.Hα-helixtrans-65.9-47.2-175.8-65.9-175.8-179.3-178.40.7111.6N79 A83 L84 E85N79-R81 VanDerWaalsContact C-N 3.33Å; N79-R81 PolarHBondContact O-N 3.13Å; R81-A83 VanDerWaalsContact C-N 3.29Å; R81-A83 PolarHBondContact O-N 2.97Å; R81-L84 PolarHBondContact O-N 3.43Å; R81-E85 WeakPolarHBondContact O-CB 3.24Å; R81-E85 WeakPolarHBondContact O-CG 3.41Å; R81-E85 PolarHBondContact O-N 3.17Å
82L66.9Low64.1Low68 Ų6862 Ų6236%0.35634%0.335SS..Hα-helixtrans-61.4-40.9179.2-68.9173.7000111.4N79 E85 A86N79-L82 PolarHBondContact O-N 3.35Å; L82-E85 PolarHBondContact O-N 3.27Å; L82-A86 VanDerWaalsContact O-CB 3.31Å; L82-A86 WeakPolarHBondContact O-CB 3.38Å; L82-A86 PolarHBondContact O-N 3.29Å
83A67Low65.4Low3 Ų365 Ų653%0.02535%0.346CS..Hα-helixtrans-68.2-45.1177.900000111.7Y75 N79 F80 R81 E85 A86 F87Y75-A83 HydrophobicContact CD1-CB 3.98Å; Y75-A83 HydrophobicContact CE1-CB 3.28Å; N79-A83 WeakPolarHBondContact O-CB 3.49Å; N79-A83 PolarHBondContact O-N 3.33Å; F80-A83 PolarHBondContact O-N 3.34Å; R81-A83 VanDerWaalsContact C-N 3.29Å; R81-A83 PolarHBondContact O-N 2.97Å; A83-E85 VanDerWaalsContact C-N 3.32Å; A83-E85 PolarHBondContact O-N 3.44Å; A83-A86 WeakPolarHBondContact O-CB 3.49Å; A83-A86 PolarHBondContact O-N 3.09Å; A83-F87 HydrophobicContact CB-CD2 4.35Å; A83-F87 HydrophobicContact CB-CE2 4.13Å; A83-F87 WeakPolarHBondContact O-CD2 3.3Å; A83-F87 PolarHBondContact O-N 3.49Å
84L71.9Confident66.5Low38 Ų3864.6 Ų64.620%0.19934%0.344CS..Hα-helixtrans-62-37.7174.5-80-171.2000113.2F80 R81 G88 V104 V107 M108F80-L84 HydrophobicContact CD1-CD1 4.2Å; F80-L84 HydrophobicContact CD2-CD1 4.27Å; F80-L84 HydrophobicContact CD2-CG 4.38Å; F80-L84 HydrophobicContact CE1-CD1 3.49Å; F80-L84 VanDerWaalsContact CE1-CD1 3.49Å; F80-L84 HydrophobicContact CE1-CG 4.43Å; F80-L84 HydrophobicContact CE2-CD1 3.61Å; F80-L84 HydrophobicContact CE2-CG 4.08Å; F80-L84 HydrophobicContact CZ-CD1 3.17Å; F80-L84 HydrophobicContact CZ-CG 4.12Å; F80-L84 PolarHBondContact O-N 3.23Å; R81-L84 PolarHBondContact O-N 3.43Å; L84-G88 VanDerWaalsContact O-CA 3.31Å; L84-G88 WeakPolarHBondContact O-CA 3.32Å; L84-G88 PolarHBondContact O-N 3.35Å; L84-V104 HydrophobicContact CD2-CB 4.28Å; L84-V104 HydrophobicContact CD2-CG1 3.93Å; L84-V104 HydrophobicContact CD2-CG2 4.12Å; L84-V107 HydrophobicContact CD1-CG1 4.35Å; L84-V107 HydrophobicContact CD2-CB 4.11Å; L84-V107 HydrophobicContact CD2-CG1 3.6Å; L84-V107 HydrophobicContact CG-CG1 3.75Å; L84-M108 HydrophobicContact CD2-CE 4.37Å
85E72.7Confident67.7Low108 Ų10867.1 Ų67.151%0.50536%0.362SS..Hα-helixtrans-64.7-43.6175-76.6176.7-163.800111.3R81 L82 A83 G88 R89R81-E85 WeakPolarHBondContact O-CB 3.24Å; R81-E85 WeakPolarHBondContact O-CG 3.41Å; R81-E85 PolarHBondContact O-N 3.17Å; L82-E85 PolarHBondContact O-N 3.27Å; A83-E85 VanDerWaalsContact C-N 3.32Å; A83-E85 PolarHBondContact O-N 3.44Å; E85-G88 PolarHBondContact O-N 2.98Å; E85-R89 WeakPolarHBondContact O-CG 3.2Å; E85-R89 PolarHBondContact O-N 3.02Å
86A68.9Low68.5Low2 Ų271.9 Ų71.92%0.01738%0.383CS..Hα-helixtrans-62-52.6177.700000112.9L47 L82 A83 G88 R89 A90L47-A86 HydrophobicContact CD1-CB 3.45Å; L47-A86 VanDerWaalsContact CD1-CB 3.45Å; L47-A86 HydrophobicContact CD2-CB 3.15Å; L47-A86 HydrophobicContact CG-CB 3.87Å; L82-A86 VanDerWaalsContact O-CB 3.31Å; L82-A86 WeakPolarHBondContact O-CB 3.38Å; L82-A86 PolarHBondContact O-N 3.29Å; A83-A86 WeakPolarHBondContact O-CB 3.49Å; A83-A86 PolarHBondContact O-N 3.09Å; A86-G88 VanDerWaalsContact C-N 3.26Å; A86-G88 PolarHBondContact O-N 2.73Å; A86-R89 PolarHBondContact O-N 2.85Å; A86-A90 PolarHBondContact O-N 3.12Å
87F74.3Confident69.4Low3 Ų369.9 Ų69.91%0.01336%0.361CS..Hα-helixtrans-69.9-28.5177.3-63.8-63.1000111.2F59 W70 Y75 A83 A90 L91 A100 A103 V104F59-F87 HydrophobicContact CB-CE1 4.23Å; F59-F87 HydrophobicContact CB-CZ 4.47Å; F59-F87 HydrophobicContact CD1-CZ 4.26Å; F59-F87 AromaticContact CD2-CE1 3.61Å; F59-F87 HydrophobicContact CD2-CE1 3.61Å; F59-F87 AromaticContact CD2-CZ 3.53Å; F59-F87 HydrophobicContact CD2-CZ 3.53Å; F59-F87 HydrophobicContact CE1-CZ 4.41Å; F59-F87 HydrophobicContact CE2-CE1 4.17Å; F59-F87 HydrophobicContact CE2-CE2 4.45Å; F59-F87 AromaticContact CE2-CZ 3.71Å; F59-F87 HydrophobicContact CE2-CZ 3.71Å; F59-F87 AromaticContact CG-CE1 4Å; F59-F87 HydrophobicContact CG-CE1 4Å; F59-F87 AromaticContact CG-CZ 3.85Å; F59-F87 HydrophobicContact CG-CZ 3.85Å; F59-F87 HydrophobicContact CZ-CZ 4.16Å; W70-F87 HydrophobicContact CH2-CE1 4.38Å; W70-F87 HydrophobicContact CH2-CZ 4.03Å; W70-F87 HydrophobicContact CZ3-CZ 4.02Å; Y75-F87 HydrophobicContact CE1-CE2 4.42Å; Y75-F87 AromaticContact CZ-CE2 3.99Å; Y75-F87 WeakPolarHBondContact OH-CE2 3.4Å; A83-F87 HydrophobicContact CB-CD2 4.35Å; A83-F87 HydrophobicContact CB-CE2 4.13Å; A83-F87 WeakPolarHBondContact O-CD2 3.3Å; A83-F87 PolarHBondContact O-N 3.49Å; F87-A90 WeakPolarHBondContact O-CB 3.47Å; F87-A90 PolarHBondContact O-N 3.46Å; F87-L91 WeakPolarHBondContact O-CB 3.31Å; F87-L91 WeakPolarHBondContact O-CG 3.31Å; F87-L91 PolarHBondContact O-N 2.84Å; F87-A100 HydrophobicContact CB-CB 4.07Å; F87-A100 HydrophobicContact CD1-CB 3.81Å; F87-A100 HydrophobicContact CG-CB 4.38Å; F87-A103 HydrophobicContact CD1-CB 3.72Å; F87-A103 HydrophobicContact CD2-CB 3.7Å; F87-A103 HydrophobicContact CE1-CB 3.61Å; F87-A103 HydrophobicContact CE2-CB 3.68Å; F87-A103 HydrophobicContact CG-CB 3.79Å; F87-A103 HydrophobicContact CZ-CB 3.61Å; F87-V104 HydrophobicContact CB-CG2 3.3Å; F87-V104 HydrophobicContact CG-CG2 4.23Å
88G75.3Confident70.4Confident34 Ų3466.9 Ų66.935%0.35134%0.343SS..Hα-helixtrans-61.3-43.7170.500000112L84 E85 A86 L91 S92L84-G88 VanDerWaalsContact O-CA 3.31Å; L84-G88 WeakPolarHBondContact O-CA 3.32Å; L84-G88 PolarHBondContact O-N 3.35Å; E85-G88 PolarHBondContact O-N 2.98Å; A86-G88 VanDerWaalsContact C-N 3.26Å; A86-G88 PolarHBondContact O-N 2.73Å; G88-L91 CarbonylContact O-C 3.59Å; G88-L91 PolarHBondContact O-N 3.38Å; G88-S92 PolarHBondContact O-N 3.09Å
89R71.7Confident71Confident132 Ų13260.2 Ų60.250%0.49831%0.309SS..Hα-helixtrans-67.9-38.4172-71.4-175.7-172-161.76.8112.3H52 E85 A86 L91 S92 L93H52-R89 PolarHBondContact CD2-NH1 3.02Å; H52-R89 VanDerWaalsContact NE2-CZ 3.35Å; H52-R89 PolarHBondContact NE2-NH1 3.28Å; E85-R89 WeakPolarHBondContact O-CG 3.2Å; E85-R89 PolarHBondContact O-N 3.02Å; A86-R89 PolarHBondContact O-N 2.85Å; R89-L91 VanDerWaalsContact C-N 3.26Å; R89-L91 PolarHBondContact O-N 3.48Å; R89-S92 WeakPolarHBondContact CA-OG 3.42Å; R89-S92 PolarHBondContact O-N 3.37Å; R89-S92 VanDerWaalsContact O-N 3.08Å; R89-S92 PolarHBondContact O-OG 3.37Å; R89-L93 WeakPolarHBondContact O-CG 3.35Å; R89-L93 PolarHBondContact O-N 3Å
90A72.8Confident71.5Confident3 Ų357.6 Ų57.63%0.02530%0.295CS..Hα-helixtrans-57.9-42.9172.500000111.2I56 A86 F87 S92 L93 N94 A100I56-A90 HydrophobicContact CD1-CB 3.3Å; I56-A90 HydrophobicContact CG1-CB 3.64Å; A86-A90 PolarHBondContact O-N 3.12Å; F87-A90 WeakPolarHBondContact O-CB 3.47Å; F87-A90 PolarHBondContact O-N 3.46Å; A90-S92 VanDerWaalsContact C-N 3.34Å; A90-L93 PolarHBondContact O-N 2.93Å; A90-N94 CarbonylContact O-C 3.55Å; A90-N94 PolarHBondContact O-N 3.49Å; A90-A100 HydrophobicContact CB-CB 3.78Å
91L74.2Confident72.1Confident27 Ų2755.9 Ų55.914%0.14129%0.287CS..Hα-helixtrans-72.8-24176.1-68.1172000113.1F87 G88 R89 N94 S95 A100 V101 V104F87-L91 WeakPolarHBondContact O-CB 3.31Å; F87-L91 WeakPolarHBondContact O-CG 3.31Å; F87-L91 PolarHBondContact O-N 2.84Å; G88-L91 CarbonylContact O-C 3.59Å; G88-L91 PolarHBondContact O-N 3.38Å; R89-L91 VanDerWaalsContact C-N 3.26Å; R89-L91 PolarHBondContact O-N 3.48Å; L91-N94 WeakPolarHBondContact CA-O 3.39Å; L91-N94 CarbonylContact O-C 3.19Å; L91-S95 WeakPolarHBondContact O-CA 3.48Å; L91-S95 PolarHBondContact O-N 2.84Å; L91-A100 HydrophobicContact CD2-CB 3.96Å; L91-A100 HydrophobicContact CG-CB 3.91Å; L91-V101 HydrophobicContact CD2-CG2 3.5Å; L91-V104 HydrophobicContact CD1-CB 4.47Å; L91-V104 HydrophobicContact CD1-CG2 3.94Å
92S78.1Confident72.4Confident95 Ų9547.1 Ų47.166%0.66426%0.255SS*.Hα-helixtrans-75.9-34.3172.372.20000112.1G88 R89 A90G88-S92 PolarHBondContact O-N 3.09Å; R89-S92 WeakPolarHBondContact CA-OG 3.42Å; R89-S92 PolarHBondContact O-N 3.37Å; R89-S92 VanDerWaalsContact O-N 3.08Å; R89-S92 PolarHBondContact O-OG 3.37Å; A90-S92 VanDerWaalsContact C-N 3.34Å
93L76.4Confident72.7Confident116 Ų11643.9 Ų43.961%0.60724%0.238SC*.Hα-helixtrans-74.2-45.6174.5-68.1173.3000111.1E53 R89 A90E53-L93 HydrophobicContact CG-CD1 4.35Å; R89-L93 WeakPolarHBondContact O-CG 3.35Å; R89-L93 PolarHBondContact O-N 3Å; A90-L93 PolarHBondContact O-N 2.93Å
94N72.3Confident73.1Confident79 Ų7944 Ų4442%0.42224%0.238SC..  trans-138.598.3175.9-177.1-1.8000110A90 L91 F96 H97A90-N94 CarbonylContact O-C 3.55Å; A90-N94 PolarHBondContact O-N 3.49Å; L91-N94 WeakPolarHBondContact CA-O 3.39Å; L91-N94 CarbonylContact O-C 3.19Å; N94-F96 PolarHBondContact O-N 3.04Å; N94-F96 WeakPolarHBondContact OD1-CB 3.27Å; N94-F96 PolarHBondContact OD1-N 2.9Å; N94-H97 HydrophobicContact CB-CB 4.12Å; N94-H97 VanDerWaalsContact O-CB 3.32Å; N94-H97 WeakPolarHBondContact O-CB 3.16Å; N94-H97 PolarHBondContact O-N 3.48Å
95S73.4Confident73.3Confident58 Ų5842.1 Ų42.141%0.40623%0.228SC..THydrogen-bonded Turntrans-58.4-13.8178.967.70000114.6L91L91-S95 WeakPolarHBondContact O-CA 3.48Å; L91-S95 PolarHBondContact O-N 2.84Å
96F69.8Low73.4Confident112 Ų11237.4 Ų37.449%0.49121%0.208SC..THydrogen-bonded Turntrans-108.24.6-175.5-57.1-51000113.7N94 T98 N127N94-F96 PolarHBondContact O-N 3.04Å; N94-F96 WeakPolarHBondContact OD1-CB 3.27Å; N94-F96 PolarHBondContact OD1-N 2.9Å; F96-T98 PolarHBondContact O-N 3.23Å; F96-N127 WeakPolarHBondContact CA-ND2 3.04Å; F96-N127 WeakPolarHBondContact CB-ND2 2.95Å; F96-N127 VanDerWaalsContact CD1-CG 3.44Å; F96-N127 WeakPolarHBondContact CD1-ND2 3.05Å; F96-N127 WeakPolarHBondContact CD1-OD1 3.39Å; F96-N127 PolarHBondContact O-ND2 3.48Å
97H72Confident73.6Confident29 Ų2937.3 Ų37.313%0.13421%0.207CC..  trans-65.3103.9-179.4-175.756.9000111.7I56 D60 N94 A99 A100 V101I56-H97 WeakPolarHBondContact CG2-NE2 3.4Å; D60-H97 VanDerWaalsContact CG-CE1 3.48Å; D60-H97 IonicContact OD1-CE1 3.82Å; D60-H97 PolarHBondContact OD1-CE1 2.94Å; D60-H97 IonicContact OD1-NE2 3.84Å; D60-H97 PolarHBondContact OD1-NE2 3.06Å; D60-H97 IonicContact OD2-CE1 3.86Å; D60-H97 PolarHBondContact OD2-CE1 2.92Å; D60-H97 IonicContact OD2-NE2 2.64Å; N94-H97 HydrophobicContact CB-CB 4.12Å; N94-H97 VanDerWaalsContact O-CB 3.32Å; N94-H97 WeakPolarHBondContact O-CB 3.16Å; N94-H97 PolarHBondContact O-N 3.48Å; H97-A99 VanDerWaalsContact C-N 3.32Å; H97-A99 PolarHBondContact O-N 2.97Å; H97-A100 HydrophobicContact CB-CB 4.45Å; H97-A100 WeakPolarHBondContact CD2-CB 3.39Å; H97-A100 PolarHBondContact CD2-N 3.15Å; H97-A100 PolarHBondContact O-N 3.42Å; H97-V101 WeakPolarHBondContact O-CG2 3.45Å; H97-V101 PolarHBondContact O-N 3.18Å
98T70.4Confident73.7Confident59 Ų5938.5 Ų38.536%0.36221%0.213SC..Hα-helixtrans-61-39-170.249.70000113.1F96 V101 F102 C128F96-T98 PolarHBondContact O-N 3.23Å; T98-V101 PolarHBondContact O-N 3.33Å; T98-F102 VanDerWaalsContact O-CB 3.31Å; T98-F102 WeakPolarHBondContact O-CB 3.2Å; T98-F102 PolarHBondContact O-N 2.91Å; T98-C128 HydrophobicContact CG2-CB 4.25Å; T98-C128 WeakPolarHBondContact CG2-SG 3.46Å
99A69.3Low73.7Confident7 Ų738.6 Ų38.66%0.05820%0.204CC..Hα-helixtrans-59.5-50.617600000112.3D60 L63 H97 F102 A103D60-A99 WeakPolarHBondContact OD1-CB 3.14Å; L63-A99 HydrophobicContact CD1-CB 3.08Å; H97-A99 VanDerWaalsContact C-N 3.32Å; H97-A99 PolarHBondContact O-N 2.97Å; A99-F102 WeakPolarHBondContact O-CB 3.47Å; A99-F102 PolarHBondContact O-N 3.35Å; A99-A103 WeakPolarHBondContact O-CB 3.19Å; A99-A103 PolarHBondContact O-N 3.49Å
100A71.8Confident73.8Confident0 Ų037.4 Ų37.40%020%0.204CC..Hα-helixtrans-67.3-38176.200000112.9F87 A90 L91 H97 F102 A103 V104F87-A100 HydrophobicContact CB-CB 4.07Å; F87-A100 HydrophobicContact CD1-CB 3.81Å; F87-A100 HydrophobicContact CG-CB 4.38Å; A90-A100 HydrophobicContact CB-CB 3.78Å; L91-A100 HydrophobicContact CD2-CB 3.96Å; L91-A100 HydrophobicContact CG-CB 3.91Å; H97-A100 HydrophobicContact CB-CB 4.45Å; H97-A100 WeakPolarHBondContact CD2-CB 3.39Å; H97-A100 PolarHBondContact CD2-N 3.15Å; H97-A100 PolarHBondContact O-N 3.42Å; A100-F102 VanDerWaalsContact C-N 3.27Å; A100-F102 PolarHBondContact O-N 3.38Å; A100-A103 PolarHBondContact O-N 2.99Å; A100-V104 WeakPolarHBondContact O-CB 3.48Å; A100-V104 VanDerWaalsContact O-CG2 3.27Å; A100-V104 WeakPolarHBondContact O-CG2 3.43Å; A100-V104 PolarHBondContact O-N 3.49Å
101V76.7Confident73.9Confident2 Ų241.4 Ų41.41%0.01222%0.222CC..Hα-helixtrans-60.2-42.9173.8175.40000110.5L91 H97 T98 G105 K120 Y121L91-V101 HydrophobicContact CD2-CG2 3.5Å; H97-V101 WeakPolarHBondContact O-CG2 3.45Å; H97-V101 PolarHBondContact O-N 3.18Å; T98-V101 PolarHBondContact O-N 3.33Å; V101-G105 PolarHBondContact O-N 3.48Å; V101-K120 VanDerWaalsContact CG1-O 3.22Å; V101-K120 WeakPolarHBondContact CG1-O 2.96Å; V101-Y121 HydrophobicContact CG1-CD1 4.48Å
102F75.2Confident74.2Confident14 Ų1441.8 Ų41.86%0.06123%0.232CC..Hα-helixtrans-62.3-49.7177.6178.7-93.4000111.5L63 N68 W70 V71 T98 A99 A100 G105 A106 R133 N137L63-F102 HydrophobicContact CD2-CD1 4.2Å; L63-F102 HydrophobicContact CD2-CE1 4.47Å; N68-F102 WeakPolarHBondContact OD1-CZ 3.36Å; W70-F102 HydrophobicContact CZ2-CD1 4.2Å; V71-F102 HydrophobicContact CB-CE1 4.17Å; V71-F102 HydrophobicContact CG2-CD1 3.89Å; V71-F102 HydrophobicContact CG2-CE1 3.48Å; V71-F102 VanDerWaalsContact CG2-CE1 3.48Å; T98-F102 VanDerWaalsContact O-CB 3.31Å; T98-F102 WeakPolarHBondContact O-CB 3.2Å; T98-F102 PolarHBondContact O-N 2.91Å; A99-F102 WeakPolarHBondContact O-CB 3.47Å; A99-F102 PolarHBondContact O-N 3.35Å; A100-F102 VanDerWaalsContact C-N 3.27Å; A100-F102 PolarHBondContact O-N 3.38Å; F102-G105 PolarHBondContact O-N 3.23Å; F102-A106 WeakPolarHBondContact O-CB 2.92Å; F102-A106 PolarHBondContact O-N 2.94Å; F102-R133 HydrophobicContact CE2-CB 4.47Å; F102-N137 WeakPolarHBondContact CD2-ND2 3.29Å; F102-N137 WeakPolarHBondContact CE2-ND2 3.48Å; F102-N137 WeakPolarHBondContact CZ-ND2 3.08Å
103A72.3Confident74.5Confident0 Ų041.4 Ų41.40%022%0.223CC..Hα-helixtrans-57-59.8177.600000110.6W70 F87 A99 A100 G105 A106 V107W70-A103 HydrophobicContact CH2-CB 3.77Å; W70-A103 HydrophobicContact CZ2-CB 4.47Å; F87-A103 HydrophobicContact CD1-CB 3.72Å; F87-A103 HydrophobicContact CD2-CB 3.7Å; F87-A103 HydrophobicContact CE1-CB 3.61Å; F87-A103 HydrophobicContact CE2-CB 3.68Å; F87-A103 HydrophobicContact CG-CB 3.79Å; F87-A103 HydrophobicContact CZ-CB 3.61Å; A99-A103 WeakPolarHBondContact O-CB 3.19Å; A99-A103 PolarHBondContact O-N 3.49Å; A100-A103 PolarHBondContact O-N 2.99Å; A103-G105 VanDerWaalsContact C-N 3.3Å; A103-G105 PolarHBondContact O-N 3.29Å; A103-A106 PolarHBondContact O-N 3.2Å; A103-A106 VanDerWaalsContact O-N 3.14Å; A103-V107 WeakPolarHBondContact O-CB 3.09Å; A103-V107 WeakPolarHBondContact O-CG2 3.2Å; A103-V107 PolarHBondContact O-N 3.45Å
104V75.8Confident74.9Confident5 Ų539.2 Ų39.23%0.0321%0.207CC..Hα-helixtrans-55.5-44.3-179.3171.70000112.1L84 F87 L91 A100 V107 M108 K120L84-V104 HydrophobicContact CD2-CB 4.28Å; L84-V104 HydrophobicContact CD2-CG1 3.93Å; L84-V104 HydrophobicContact CD2-CG2 4.12Å; F87-V104 HydrophobicContact CB-CG2 3.3Å; F87-V104 HydrophobicContact CG-CG2 4.23Å; L91-V104 HydrophobicContact CD1-CB 4.47Å; L91-V104 HydrophobicContact CD1-CG2 3.94Å; A100-V104 WeakPolarHBondContact O-CB 3.48Å; A100-V104 VanDerWaalsContact O-CG2 3.27Å; A100-V104 WeakPolarHBondContact O-CG2 3.43Å; A100-V104 PolarHBondContact O-N 3.49Å; V104-V107 WeakPolarHBondContact O-CB 3.44Å; V104-V107 PolarHBondContact O-N 3.42Å; V104-M108 HydrophobicContact CG1-CE 3.45Å; V104-M108 VanDerWaalsContact CG1-CE 3.45Å; V104-M108 HydrophobicContact CG1-CG 4.38Å; V104-M108 HydrophobicContact CG1-SD 3.64Å; V104-M108 WeakPolarHBondContact O-CB 3.31Å; V104-M108 VanDerWaalsContact O-CG 3.25Å; V104-M108 WeakPolarHBondContact O-CG 3.43Å; V104-M108 PolarHBondContact O-N 3.38Å; V104-K120 HydrophobicContact CG1-CG 4.09Å
105G76.2Confident75.6Confident0 Ų040 Ų400%021%0.211CC..Hα-helixtrans-66.5-39.3-178.800000112.8V101 F102 A103 V107 H109 A117 Y121V101-G105 PolarHBondContact O-N 3.48Å; F102-G105 PolarHBondContact O-N 3.23Å; A103-G105 VanDerWaalsContact C-N 3.3Å; A103-G105 PolarHBondContact O-N 3.29Å; G105-V107 VanDerWaalsContact C-N 3.3Å; G105-H109 WeakPolarHBondContact O-CB 3.5Å; G105-H109 PolarHBondContact O-N 3.26Å; G105-A117 WeakPolarHBondContact O-CB 3.45Å; G105-Y121 VanDerWaalsContact CA-CZ 3.48Å; G105-Y121 PolarHBondContact O-OH 3.42Å
106A73.6Confident76.1Confident9 Ų940.1 Ų40.17%0.07421%0.21CC..Hα-helixtrans-74.4-29.1-18000000111.3V71 F102 A103 H109 H110 Y121V71-A106 HydrophobicContact CB-CB 4.28Å; V71-A106 HydrophobicContact CG1-CB 3.32Å; F102-A106 WeakPolarHBondContact O-CB 2.92Å; F102-A106 PolarHBondContact O-N 2.94Å; A103-A106 PolarHBondContact O-N 3.2Å; A103-A106 VanDerWaalsContact O-N 3.14Å; A106-H109 WeakPolarHBondContact O-CB 3.41Å; A106-H109 PolarHBondContact O-N 3.47Å; A106-H110 PolarHBondContact O-CD2 3.37Å; A106-H110 PolarHBondContact O-N 3.38Å; A106-Y121 VanDerWaalsContact CA-OH 3.3Å; A106-Y121 WeakPolarHBondContact CA-OH 3.48Å; A106-Y121 PolarHBondContact N-OH 3Å
107V73.5Confident76.9Confident0 Ų034.8 Ų34.80%019%0.186CC..Hα-helixtrans-66.8-48.6172.5175.40000111.8V71 Y75 F80 L84 A103 V104 G105 H109 H110 H111V71-V107 HydrophobicContact CG1-CG2 4.36Å; Y75-V107 HydrophobicContact CD1-CB 4.22Å; Y75-V107 HydrophobicContact CD1-CG1 3.91Å; Y75-V107 HydrophobicContact CD1-CG2 3.26Å; Y75-V107 HydrophobicContact CD2-CG2 3.93Å; Y75-V107 HydrophobicContact CE1-CB 4.07Å; Y75-V107 HydrophobicContact CE1-CG1 3.99Å; Y75-V107 HydrophobicContact CE1-CG2 2.88Å; Y75-V107 HydrophobicContact CE2-CG2 3.63Å; Y75-V107 HydrophobicContact CG-CG2 3.7Å; Y75-V107 WeakPolarHBondContact OH-CG2 3.08Å; F80-V107 HydrophobicContact CD2-CG1 3.21Å; F80-V107 HydrophobicContact CE2-CB 4.47Å; F80-V107 HydrophobicContact CE2-CG1 3.17Å; F80-V107 HydrophobicContact CG-CG1 4.42Å; F80-V107 HydrophobicContact CZ-CG1 4.33Å; L84-V107 HydrophobicContact CD1-CG1 4.35Å; L84-V107 HydrophobicContact CD2-CB 4.11Å; L84-V107 HydrophobicContact CD2-CG1 3.6Å; L84-V107 HydrophobicContact CG-CG1 3.75Å; A103-V107 WeakPolarHBondContact O-CB 3.09Å; A103-V107 WeakPolarHBondContact O-CG2 3.2Å; A103-V107 PolarHBondContact O-N 3.45Å; V104-V107 WeakPolarHBondContact O-CB 3.44Å; V104-V107 PolarHBondContact O-N 3.42Å; G105-V107 VanDerWaalsContact C-N 3.3Å; V107-H109 VanDerWaalsContact C-N 3.27Å; V107-H109 PolarHBondContact O-N 3.09Å; V107-H110 PolarHBondContact O-N 3.32Å; V107-H111 PolarHBondContact O-CD2 3.5Å; V107-H111 PolarHBondContact O-N 3.06Å; V107-H111 VanDerWaalsContact O-N 3.14Å
108M76.7Confident77.6Confident27 Ų2734 Ų3413%0.13318%0.183CC..Hα-helixtrans-61.8-37.7173.3-71.5171.3174.100111.4L84 V104 H111 G112 D113 T116 A117 K120L84-M108 HydrophobicContact CD2-CE 4.37Å; V104-M108 HydrophobicContact CG1-CE 3.45Å; V104-M108 VanDerWaalsContact CG1-CE 3.45Å; V104-M108 HydrophobicContact CG1-CG 4.38Å; V104-M108 HydrophobicContact CG1-SD 3.64Å; V104-M108 WeakPolarHBondContact O-CB 3.31Å; V104-M108 VanDerWaalsContact O-CG 3.25Å; V104-M108 WeakPolarHBondContact O-CG 3.43Å; V104-M108 PolarHBondContact O-N 3.38Å; M108-H111 PolarHBondContact O-N 2.95Å; M108-G112 PolarHBondContact O-N 3.48Å; M108-D113 HydrophobicContact CB-CB 4.43Å; M108-D113 PolarHBondContact O-N 3.06Å; M108-T116 PolarHBondContact SD-OG1 3.23Å; M108-T116 VanDerWaalsContact SD-OG1 3.38Å; M108-A117 HydrophobicContact CB-CB 3.78Å; M108-K120 HydrophobicContact CE-CG 4.47Å; M108-K120 HydrophobicContact SD-CG 3.97Å
109H76.2Confident78.4Confident36 Ų3633.8 Ų33.817%0.16719%0.188CC..Hα-helixtrans-61.1-45.6174.5-178.990.9000112.2G105 A106 V107 H111 G112 Y114 S141 C144G105-H109 WeakPolarHBondContact O-CB 3.5Å; G105-H109 PolarHBondContact O-N 3.26Å; A106-H109 WeakPolarHBondContact O-CB 3.41Å; A106-H109 PolarHBondContact O-N 3.47Å; V107-H109 VanDerWaalsContact C-N 3.27Å; V107-H109 PolarHBondContact O-N 3.09Å; H109-H111 VanDerWaalsContact C-N 3.26Å; H109-H111 PolarHBondContact O-N 3.2Å; H109-G112 PolarHBondContact O-N 3.32Å; H109-Y114 AromaticContact CE1-CE1 3.73Å; H109-Y114 AromaticContact ND1-CD1 3.57Å; H109-Y114 AromaticContact ND1-CE1 3.6Å; H109-Y114 WeakPolarHBondContact O-CE1 3.31Å; H109-S141 PolarHBondContact ND1-OG 3.21Å; H109-C144 VanDerWaalsContact CE1-SG 3.57Å
110H72.9Confident79.1Confident108 Ų10837.6 Ų37.650%0.520%0.203SC..Hα-helixtrans-64.4-29.7177.4-84.1-65000113.4A106 V107 G112A106-H110 PolarHBondContact O-CD2 3.37Å; A106-H110 PolarHBondContact O-N 3.38Å; V107-H110 PolarHBondContact O-N 3.32Å; H110-G112 VanDerWaalsContact C-N 3.34Å
111H75.6Confident79.8Confident86 Ų8637.7 Ų37.740%0.39820%0.203SC..THydrogen-bonded Turntrans-88.13.1177.4-79.3-95.7000114.3F80 V107 M108 H109 D113F80-H111 AromaticContact CD2-CD2 3.05Å; F80-H111 WeakPolarHBondContact CD2-CD2 3.12Å; F80-H111 AromaticContact CD2-CE1 3.57Å; F80-H111 AromaticContact CD2-CG 3.71Å; F80-H111 AromaticContact CD2-ND1 3.99Å; F80-H111 AromaticContact CD2-NE2 2.95Å; F80-H111 WeakPolarHBondContact CD2-NE2 3.42Å; F80-H111 HydrophobicContact CE2-CB 3.94Å; F80-H111 AromaticContact CE2-CD2 3.04Å; F80-H111 WeakPolarHBondContact CE2-CD2 3.38Å; F80-H111 AromaticContact CE2-CE1 3.94Å; F80-H111 AromaticContact CE2-CG 3.32Å; F80-H111 AromaticContact CE2-ND1 3.88Å; F80-H111 AromaticContact CE2-NE2 3.48Å; F80-H111 WeakPolarHBondContact CE2-NE2 3.43Å; F80-H111 AromaticContact CG-CD2 3.92Å; F80-H111 AromaticContact CG-CE1 3.62Å; F80-H111 AromaticContact CG-NE2 3.39Å; F80-H111 WeakPolarHBondContact CG-NE2 3.22Å; F80-H111 HydrophobicContact CZ-CB 4.16Å; F80-H111 AromaticContact CZ-CD2 3.94Å; F80-H111 AromaticContact CZ-CG 3.76Å; V107-H111 PolarHBondContact O-CD2 3.5Å; V107-H111 PolarHBondContact O-N 3.06Å; V107-H111 VanDerWaalsContact O-N 3.14Å; M108-H111 PolarHBondContact O-N 2.95Å; H109-H111 VanDerWaalsContact C-N 3.26Å; H109-H111 PolarHBondContact O-N 3.2Å; H111-D113 VanDerWaalsContact C-N 3.31Å; H111-D113 PolarHBondContact O-N 3.01Å
112G79.3Confident80.2Confident35 Ų3546 Ų4636%0.36123%0.234SC..THydrogen-bonded Turntrans83.50.1176.900000115M108 H109 H110 Y114M108-G112 PolarHBondContact O-N 3.48Å; H109-G112 PolarHBondContact O-N 3.32Å; H110-G112 VanDerWaalsContact C-N 3.34Å; G112-Y114 VanDerWaalsContact O-CD2 3.26Å; G112-Y114 WeakPolarHBondContact O-CD2 3.4Å; G112-Y114 WeakPolarHBondContact O-CE2 3.27Å; G112-Y114 PolarHBondContact O-N 3.03Å
113D84.2Confident80.6Confident88 Ų8848 Ų4847%0.47125%0.247SC..  trans-83.662.6178-69.3-34.2000111.1M108 H111 D115 T116 A117M108-D113 HydrophobicContact CB-CB 4.43Å; M108-D113 PolarHBondContact O-N 3.06Å; H111-D113 VanDerWaalsContact C-N 3.31Å; H111-D113 PolarHBondContact O-N 3.01Å; D113-D115 VanDerWaalsContact C-N 3.28Å; D113-D115 PolarHBondContact O-N 2.92Å; D113-T116 VanDerWaalsContact CB-OG1 3.32Å; D113-T116 WeakPolarHBondContact CB-OG1 3.43Å; D113-T116 PolarHBondContact O-N 3.21Å; D113-T116 PolarHBondContact O-OG1 2.86Å; D113-A117 PolarHBondContact O-N 3.29Å; D113-A117 VanDerWaalsContact O-N 3.08Å
114Y86.1Confident81.1Confident69 Ų6948 Ų4827%0.27125%0.248SC..Hα-helixtrans-62.8-32.8-174.1-53.6-62.7000113.4H109 G112 L118 C144H109-Y114 AromaticContact CE1-CE1 3.73Å; H109-Y114 AromaticContact ND1-CD1 3.57Å; H109-Y114 AromaticContact ND1-CE1 3.6Å; H109-Y114 WeakPolarHBondContact O-CE1 3.31Å; G112-Y114 VanDerWaalsContact O-CD2 3.26Å; G112-Y114 WeakPolarHBondContact O-CD2 3.4Å; G112-Y114 WeakPolarHBondContact O-CE2 3.27Å; G112-Y114 PolarHBondContact O-N 3.03Å; Y114-L118 WeakPolarHBondContact O-CB 3.37Å; Y114-L118 VanDerWaalsContact O-CG 3.22Å; Y114-L118 WeakPolarHBondContact O-CG 3.39Å; Y114-L118 PolarHBondContact O-N 3.3Å; Y114-C144 HydrophobicContact CD1-CB 3.82Å; Y114-C144 HydrophobicContact CD2-CB 3.96Å; Y114-C144 HydrophobicContact CE1-CB 3.49Å; Y114-C144 VanDerWaalsContact CE1-CB 3.49Å; Y114-C144 HydrophobicContact CE2-CB 3.63Å; Y114-C144 HydrophobicContact CG-CB 4.04Å
115D85.9Confident81.5Confident95 Ų9549.2 Ų49.251%0.50825%0.254SS..Hα-helixtrans-65.6-43.6178.7-84.5-55.5000112.5D113 L118 A119 R145D113-D115 VanDerWaalsContact C-N 3.28Å; D113-D115 PolarHBondContact O-N 2.92Å; D115-L118 PolarHBondContact O-N 3.42Å; D115-A119 PolarHBondContact O-N 3.34Å; D115-R145 IonicContact OD1-CZ 2.67Å; D115-R145 IonicContact OD1-NE 2.82Å; D115-R145 IonicContact OD1-NH1 2.69Å; D115-R145 PolarHBondContact OD1-NH1 3.05Å; D115-R145 IonicContact OD1-NH2 2.85Å; D115-R145 PolarHBondContact OD1-NH2 2.99Å; D115-R145 IonicContact OD2-CZ 2.91Å; D115-R145 IonicContact OD2-NH2 3.43Å; D115-R145 PolarHBondContact OD2-NH2 2.73Å
116T85.3Confident81.9Confident61 Ų6157.5 Ų57.537%0.37429%0.29SS..Hα-helixtrans-70.9-39.8178.564.90000110.2M108 D113 L118 A119 K120M108-T116 PolarHBondContact SD-OG1 3.23Å; M108-T116 VanDerWaalsContact SD-OG1 3.38Å; D113-T116 VanDerWaalsContact CB-OG1 3.32Å; D113-T116 WeakPolarHBondContact CB-OG1 3.43Å; D113-T116 PolarHBondContact O-N 3.21Å; D113-T116 PolarHBondContact O-OG1 2.86Å; T116-L118 PolarHBondContact O-N 3.16Å; T116-A119 PolarHBondContact O-N 3.5Å; T116-K120 WeakPolarHBondContact O-CG 3.25Å; T116-K120 PolarHBondContact O-N 3.28Å
117A85.7Confident82.1Confident0 Ų059.7 Ų59.70%030%0.3CS..Hα-helixtrans-55.4-49.417300000111.3G105 M108 D113 A119 K120 Y121G105-A117 WeakPolarHBondContact O-CB 3.45Å; M108-A117 HydrophobicContact CB-CB 3.78Å; D113-A117 PolarHBondContact O-N 3.29Å; D113-A117 VanDerWaalsContact O-N 3.08Å; A117-A119 PolarHBondContact O-N 3.07Å; A117-K120 PolarHBondContact O-N 3.43Å; A117-Y121 HydrophobicContact CB-CD2 4.4Å; A117-Y121 HydrophobicContact CB-CE2 4.02Å; A117-Y121 WeakPolarHBondContact O-CD2 3.36Å; A117-Y121 VanDerWaalsContact O-CG 3.28Å; A117-Y121 PolarHBondContact O-N 2.98Å
118L87.4Confident82.4Confident14 Ų1461.8 Ų61.87%0.07332%0.315CS..Hα-helixtrans-62.6-39.3178.2-72.9171.3000112.6Y114 D115 T116 K120 Y121 R122 I138 I142Y114-L118 WeakPolarHBondContact O-CB 3.37Å; Y114-L118 VanDerWaalsContact O-CG 3.22Å; Y114-L118 WeakPolarHBondContact O-CG 3.39Å; Y114-L118 PolarHBondContact O-N 3.3Å; D115-L118 PolarHBondContact O-N 3.42Å; T116-L118 PolarHBondContact O-N 3.16Å; L118-K120 VanDerWaalsContact C-N 3.33Å; L118-K120 PolarHBondContact O-N 3Å; L118-Y121 PolarHBondContact O-N 3.41Å; L118-R122 WeakPolarHBondContact O-CB 3.34Å; L118-R122 VanDerWaalsContact O-CG 3.27Å; L118-R122 WeakPolarHBondContact O-CG 3.16Å; L118-R122 PolarHBondContact O-N 3.26Å; L118-I138 HydrophobicContact CD2-CB 4.48Å; L118-I138 HydrophobicContact CD2-CG2 3.96Å; L118-I142 HydrophobicContact CD1-CG1 4.15Å; L118-I142 HydrophobicContact CD2-CD1 4.4Å; L118-I142 HydrophobicContact CD2-CG1 3.83Å
119A86.9Confident82.8Confident54 Ų5463.2 Ų63.245%0.44633%0.326SS..Hα-helixtrans-61.7-41.5175.100000111.7D115 T116 A117 R122 V123D115-A119 PolarHBondContact O-N 3.34Å; T116-A119 PolarHBondContact O-N 3.5Å; A117-A119 PolarHBondContact O-N 3.07Å; A119-R122 PolarHBondContact O-N 3.34Å; A119-V123 PolarHBondContact O-N 2.9Å
120K83.8Confident83.3Confident87 Ų8766.9 Ų66.938%0.37835%0.347SS..Hα-helixtrans-68.9-43.8176.4-63.1-61.2-178179.40112V101 V104 M108 T116 A117 L118 R122 V123 G124V101-K120 VanDerWaalsContact CG1-O 3.22Å; V101-K120 WeakPolarHBondContact CG1-O 2.96Å; V104-K120 HydrophobicContact CG1-CG 4.09Å; M108-K120 HydrophobicContact CE-CG 4.47Å; M108-K120 HydrophobicContact SD-CG 3.97Å; T116-K120 WeakPolarHBondContact O-CG 3.25Å; T116-K120 PolarHBondContact O-N 3.28Å; A117-K120 PolarHBondContact O-N 3.43Å; L118-K120 VanDerWaalsContact C-N 3.33Å; L118-K120 PolarHBondContact O-N 3Å; K120-R122 VanDerWaalsContact C-N 3.28Å; K120-R122 PolarHBondContact O-N 3.29Å; K120-V123 WeakPolarHBondContact O-CB 3.05Å; K120-V123 PolarHBondContact O-N 3.43Å; K120-G124 PolarHBondContact O-N 3.01Å; K120-G124 VanDerWaalsContact O-N 3.13Å
121Y86.7Confident83.8Confident1 Ų164.2 Ų64.20%0.00434%0.336CS..Hα-helixtrans-61.8-35.3176-66.1-42.9000113V101 G105 A106 A117 L118 V123 G124 L125 L134 N137 I138V101-Y121 HydrophobicContact CG1-CD1 4.48Å; G105-Y121 VanDerWaalsContact CA-CZ 3.48Å; G105-Y121 PolarHBondContact O-OH 3.42Å; A106-Y121 VanDerWaalsContact CA-OH 3.3Å; A106-Y121 WeakPolarHBondContact CA-OH 3.48Å; A106-Y121 PolarHBondContact N-OH 3Å; A117-Y121 HydrophobicContact CB-CD2 4.4Å; A117-Y121 HydrophobicContact CB-CE2 4.02Å; A117-Y121 WeakPolarHBondContact O-CD2 3.36Å; A117-Y121 VanDerWaalsContact O-CG 3.28Å; A117-Y121 PolarHBondContact O-N 2.98Å; L118-Y121 PolarHBondContact O-N 3.41Å; Y121-V123 VanDerWaalsContact C-N 3.26Å; Y121-V123 PolarHBondContact O-N 2.96Å; Y121-G124 PolarHBondContact O-N 2.97Å; Y121-G124 VanDerWaalsContact O-N 3.13Å; Y121-L125 PolarHBondContact O-N 3.25Å; Y121-L134 HydrophobicContact CD1-CD1 3.37Å; Y121-L134 HydrophobicContact CE1-CD1 4.09Å; Y121-L134 HydrophobicContact CG-CD1 3.99Å; Y121-N137 HydrophobicContact CE1-CB 4.05Å; Y121-N137 HydrophobicContact CE2-CB 4.04Å; Y121-N137 WeakPolarHBondContact OH-CB 3.37Å; Y121-N137 PolarHBondContact OH-ND2 3.07Å; Y121-I138 VanDerWaalsContact CB-CG1 3.48Å; Y121-I138 HydrophobicContact CD2-CG1 3.86Å; Y121-I138 HydrophobicContact CG-CG1 3.85Å
122R85.5Confident84.4Confident176 Ų17660.7 Ų60.766%0.66432%0.322SS*.Hα-helixtrans-60.8-34.1172.7-77.3173.9-179178.31.9112.6L118 A119 K120L118-R122 WeakPolarHBondContact O-CB 3.34Å; L118-R122 VanDerWaalsContact O-CG 3.27Å; L118-R122 WeakPolarHBondContact O-CG 3.16Å; L118-R122 PolarHBondContact O-N 3.26Å; A119-R122 PolarHBondContact O-N 3.34Å; K120-R122 VanDerWaalsContact C-N 3.28Å; K120-R122 PolarHBondContact O-N 3.29Å
123V83.8Confident84.5Confident56 Ų5663.2 Ų63.234%0.33932%0.32SS..Hα-helixtrans-68.1-44172.9178.20000110.3A119 K120 Y121 L125 K126A119-V123 PolarHBondContact O-N 2.9Å; K120-V123 WeakPolarHBondContact O-CB 3.05Å; K120-V123 PolarHBondContact O-N 3.43Å; Y121-V123 VanDerWaalsContact C-N 3.26Å; Y121-V123 PolarHBondContact O-N 2.96Å; V123-L125 VanDerWaalsContact C-N 3.32Å; V123-L125 PolarHBondContact O-N 3.41Å; V123-K126 WeakPolarHBondContact O-CB 3.48Å; V123-K126 PolarHBondContact O-N 3.31Å
124G81.2Confident84.5Confident1 Ų159.4 Ų59.41%0.0130%0.3CS..Hα-helixtrans-61-38.3176.100000113.6K120 Y121 K126 N127 C128 L134K120-G124 PolarHBondContact O-N 3.01Å; K120-G124 VanDerWaalsContact O-N 3.13Å; Y121-G124 PolarHBondContact O-N 2.97Å; Y121-G124 VanDerWaalsContact O-N 3.13Å; G124-K126 PolarHBondContact O-N 2.85Å; G124-N127 PolarHBondContact O-N 3.18Å; G124-N127 VanDerWaalsContact O-N 3.16Å; G124-C128 PolarHBondContact O-N 3.1Å; G124-C128 VanDerWaalsContact O-N 3.11Å; G124-L134 VanDerWaalsContact C-CD2 3.49Å
125L84.2Confident84.7Confident30 Ų3057.8 Ų57.816%0.15729%0.293CS..Hα-helixtrans-65.2-26.6179.7-83.8179.8000112.9Y121 V123 N127 P129 L134 W135 I138Y121-L125 PolarHBondContact O-N 3.25Å; V123-L125 VanDerWaalsContact C-N 3.32Å; V123-L125 PolarHBondContact O-N 3.41Å; L125-N127 PolarHBondContact O-N 2.78Å; L125-P129 WeakPolarHBondContact O-CA 3.4Å; L125-L134 HydrophobicContact CB-CD2 4.3Å; L125-L134 HydrophobicContact CD2-CD2 3.7Å; L125-L134 HydrophobicContact CD2-CG 4.06Å; L125-L134 HydrophobicContact CG-CD2 3.75Å; L125-L134 HydrophobicContact CG-CG 4.17Å; L125-W135 HydrophobicContact CD1-CH2 3.86Å; L125-W135 HydrophobicContact CD1-CZ2 3.94Å; L125-W135 HydrophobicContact CD1-CZ3 4.23Å; L125-W135 HydrophobicContact CD2-CD2 4.07Å; L125-W135 VanDerWaalsContact CD2-CE2 3.46Å; L125-W135 HydrophobicContact CD2-CG 4.45Å; L125-W135 HydrophobicContact CD2-CH2 4.38Å; L125-W135 HydrophobicContact CD2-CZ2 3.64Å; L125-W135 HydrophobicContact CG-CZ2 4.46Å; L125-I138 HydrophobicContact CD1-CD1 3.25Å; L125-I138 HydrophobicContact CD2-CD1 4.18Å; L125-I138 HydrophobicContact CG-CD1 3.66Å
126K84.9Confident84.8Confident174 Ų17453.5 Ų53.576%0.75727%0.27SS*.Hα-helixtrans-64.2-29.7176.2-71.8-178.7177-175.50112.3V123 G124V123-K126 WeakPolarHBondContact O-CB 3.48Å; V123-K126 PolarHBondContact O-N 3.31Å; G124-K126 PolarHBondContact O-N 2.85Å
127N78.6Confident84.8Confident55 Ų5551.4 Ų51.429%0.29426%0.257SS..Hα-helixtrans-95.8-37.4-177.9-44.9-39.7000112.1F96 G124 L125 P129F96-N127 WeakPolarHBondContact CA-ND2 3.04Å; F96-N127 WeakPolarHBondContact CB-ND2 2.95Å; F96-N127 VanDerWaalsContact CD1-CG 3.44Å; F96-N127 WeakPolarHBondContact CD1-ND2 3.05Å; F96-N127 WeakPolarHBondContact CD1-OD1 3.39Å; F96-N127 PolarHBondContact O-ND2 3.48Å; G124-N127 PolarHBondContact O-N 3.18Å; G124-N127 VanDerWaalsContact O-N 3.16Å; L125-N127 PolarHBondContact O-N 2.78Å; N127-P129 WeakPolarHBondContact O-CD 3.4Å
128C80.3Confident85Confident45 Ų4552 Ų5230%0.30426%0.26SS..  trans-128.274.2-177.9-630000110.2T98 G124 D130 N131T98-C128 HydrophobicContact CG2-CB 4.25Å; T98-C128 WeakPolarHBondContact CG2-SG 3.46Å; G124-C128 PolarHBondContact O-N 3.1Å; G124-C128 VanDerWaalsContact O-N 3.11Å; C128-D130 PolarHBondContact O-N 3.08Å; C128-N131 HydrophobicContact CB-CB 3.96Å; C128-N131 PolarHBondContact O-N 2.91Å
129P84.6Confident85.1Confident56 Ų5651.3 Ų51.336%0.36426%0.256SS..THydrogen-bonded Turntrans-64.1-21.9-179.726.7-35.3000112.8L125 N127 W135L125-P129 WeakPolarHBondContact O-CA 3.4Å; N127-P129 WeakPolarHBondContact O-CD 3.4Å; P129-W135 PolarHBondContact O-NE1 2.96Å
130D85.6Confident85.1Confident114 Ų11450.5 Ų50.561%0.6124%0.244SC*.THydrogen-bonded Turntrans-101.714.9-176.3-59.9-26.6000113.1C128 A132 L161C128-D130 PolarHBondContact O-N 3.08Å; D130-A132 PolarHBondContact O-N 3.47Å; D130-L161 HydrophobicContact CB-CD2 4.08Å
131N84.7Confident85.3Confident52 Ų5246.3 Ų46.328%0.27823%0.226SC..  trans-80.6102.2175.7-172.5-17000111.2C128 R133 L134 W135C128-N131 HydrophobicContact CB-CB 3.96Å; C128-N131 PolarHBondContact O-N 2.91Å; N131-R133 VanDerWaalsContact C-N 3.27Å; N131-R133 PolarHBondContact O-N 3.35Å; N131-R133 WeakPolarHBondContact OD1-CB 3.32Å; N131-R133 PolarHBondContact OD1-N 2.92Å; N131-L134 HydrophobicContact CB-CB 3.98Å; N131-L134 WeakPolarHBondContact O-CB 3.07Å; N131-L134 PolarHBondContact O-N 3.24Å; N131-L134 VanDerWaalsContact O-N 3.17Å; N131-L134 PolarHBondContact OD1-N 3.38Å; N131-W135 VanDerWaalsContact O-CD1 3.28Å; N131-W135 PolarHBondContact O-N 3.14Å
132A87.2Confident85.4Confident11 Ų1147.2 Ų47.29%0.09123%0.23CC..Hα-helixtrans-53.5-41177.700000113.3D130 L134 W135 N136 A158 L161 A162 I168D130-A132 PolarHBondContact O-N 3.47Å; A132-L134 VanDerWaalsContact C-N 3.32Å; A132-L134 PolarHBondContact O-N 3.4Å; A132-W135 PolarHBondContact O-N 3.01Å; A132-N136 PolarHBondContact O-N 3.35Å; A132-A158 WeakPolarHBondContact O-CB 3.36Å; A132-L161 HydrophobicContact CB-CB 3.65Å; A132-A162 HydrophobicContact CB-CB 3.45Å; A132-A162 VanDerWaalsContact CB-CB 3.45Å; A132-I168 HydrophobicContact CB-CD1 4.07Å
133R81.8Confident85.5Confident89 Ų8939 Ų3934%0.33620%0.199SC..Hα-helixtrans-67.2-35.2-177.7-59.8-178.2-172.3165.82.6111.8F102 N131 N136 N137F102-R133 HydrophobicContact CE2-CB 4.47Å; N131-R133 VanDerWaalsContact C-N 3.27Å; N131-R133 PolarHBondContact O-N 3.35Å; N131-R133 WeakPolarHBondContact OD1-CB 3.32Å; N131-R133 PolarHBondContact OD1-N 2.92Å; R133-N136 WeakPolarHBondContact O-CB 3.37Å; R133-N136 PolarHBondContact O-N 3.35Å; R133-N137 PolarHBondContact O-N 3.12Å; R133-N137 VanDerWaalsContact O-N 3.12Å; R133-N137 PolarHBondContact O-OD1 2.87Å
134L84.6Confident85.5Confident8 Ų838.6 Ų38.64%0.04220%0.199CC..Hα-helixtrans-67.5-45.2176.6-174.259.6000111.1Y121 G124 L125 N131 A132 N136 N137 I138Y121-L134 HydrophobicContact CD1-CD1 3.37Å; Y121-L134 HydrophobicContact CE1-CD1 4.09Å; Y121-L134 HydrophobicContact CG-CD1 3.99Å; G124-L134 VanDerWaalsContact C-CD2 3.49Å; L125-L134 HydrophobicContact CB-CD2 4.3Å; L125-L134 HydrophobicContact CD2-CD2 3.7Å; L125-L134 HydrophobicContact CD2-CG 4.06Å; L125-L134 HydrophobicContact CG-CD2 3.75Å; L125-L134 HydrophobicContact CG-CG 4.17Å; N131-L134 HydrophobicContact CB-CB 3.98Å; N131-L134 WeakPolarHBondContact O-CB 3.07Å; N131-L134 PolarHBondContact O-N 3.24Å; N131-L134 VanDerWaalsContact O-N 3.17Å; N131-L134 PolarHBondContact OD1-N 3.38Å; A132-L134 VanDerWaalsContact C-N 3.32Å; A132-L134 PolarHBondContact O-N 3.4Å; L134-N136 PolarHBondContact O-N 3.43Å; L134-N137 PolarHBondContact O-N 3.39Å; L134-I138 HydrophobicContact CG-CD1 4.21Å; L134-I138 VanDerWaalsContact O-CG1 3.29Å; L134-I138 WeakPolarHBondContact O-CG1 3.34Å; L134-I138 PolarHBondContact O-N 3.32Å
135W90.1Very high85.7Confident35 Ų3543.9 Ų43.913%0.13322%0.218CC..Hα-helixtrans-59.8-36173-76106.9000112.7L125 P129 N131 A132 G139 C154 R157 A158 L161L125-W135 HydrophobicContact CD1-CH2 3.86Å; L125-W135 HydrophobicContact CD1-CZ2 3.94Å; L125-W135 HydrophobicContact CD1-CZ3 4.23Å; L125-W135 HydrophobicContact CD2-CD2 4.07Å; L125-W135 VanDerWaalsContact CD2-CE2 3.46Å; L125-W135 HydrophobicContact CD2-CG 4.45Å; L125-W135 HydrophobicContact CD2-CH2 4.38Å; L125-W135 HydrophobicContact CD2-CZ2 3.64Å; L125-W135 HydrophobicContact CG-CZ2 4.46Å; P129-W135 PolarHBondContact O-NE1 2.96Å; N131-W135 VanDerWaalsContact O-CD1 3.28Å; N131-W135 PolarHBondContact O-N 3.14Å; A132-W135 PolarHBondContact O-N 3.01Å; W135-G139 PolarHBondContact O-N 3.14Å; W135-C154 HydrophobicContact CE3-CB 4.17Å; W135-R157 HydrophobicContact CD2-CG 4.16Å; W135-R157 VanDerWaalsContact CE2-CD 3.49Å; W135-R157 VanDerWaalsContact CE2-NE 3.29Å; W135-R157 HydrophobicContact CG-CG 4.3Å; W135-R157 VanDerWaalsContact CZ2-NE 3.29Å; W135-A158 HydrophobicContact CB-CB 3.66Å; W135-L161 HydrophobicContact CG-CD1 4.49Å
136N88.4Confident85.5Confident4 Ų449.4 Ų49.42%0.02125%0.248CC..Hα-helixtrans-61.2-49.5175.1179.173.6000112.5A132 R133 L134 I138 G139 M140 L155 A158 I168 N171A132-N136 PolarHBondContact O-N 3.35Å; R133-N136 WeakPolarHBondContact O-CB 3.37Å; R133-N136 PolarHBondContact O-N 3.35Å; L134-N136 PolarHBondContact O-N 3.43Å; N136-I138 VanDerWaalsContact C-N 3.35Å; N136-I138 PolarHBondContact O-N 3.14Å; N136-G139 PolarHBondContact O-N 2.92Å; N136-M140 PolarHBondContact O-N 3.04Å; N136-L155 WeakPolarHBondContact OD1-CD2 3.1Å; N136-A158 HydrophobicContact CB-CB 4.22Å; N136-I168 HydrophobicContact CB-CG1 4.06Å; N136-N171 PolarHBondContact ND2-ND2 3.07Å; N136-N171 PolarHBondContact OD1-ND2 2.63Å
137N85.7Confident85.6Confident17 Ų1743.9 Ų43.99%0.09123%0.229CC..Hα-helixtrans-68-34.9179.9-7314.3000113F102 Y121 R133 L134 S141F102-N137 WeakPolarHBondContact CD2-ND2 3.29Å; F102-N137 WeakPolarHBondContact CE2-ND2 3.48Å; F102-N137 WeakPolarHBondContact CZ-ND2 3.08Å; Y121-N137 HydrophobicContact CE1-CB 4.05Å; Y121-N137 HydrophobicContact CE2-CB 4.04Å; Y121-N137 WeakPolarHBondContact OH-CB 3.37Å; Y121-N137 PolarHBondContact OH-ND2 3.07Å; R133-N137 PolarHBondContact O-N 3.12Å; R133-N137 VanDerWaalsContact O-N 3.12Å; R133-N137 PolarHBondContact O-OD1 2.87Å; L134-N137 PolarHBondContact O-N 3.39Å; N137-S141 WeakPolarHBondContact O-CB 2.92Å; N137-S141 PolarHBondContact O-N 3.11Å; N137-S141 PolarHBondContact O-OG 3.26Å
138I88.7Confident85.9Confident12 Ų1242.9 Ų42.96%0.06223%0.225CC..Hα-helixtrans-61.9-47.5171.7-69.7169.5000109.9L118 Y121 L125 L134 N136 M140 S141 I142 C154L118-I138 HydrophobicContact CD2-CB 4.48Å; L118-I138 HydrophobicContact CD2-CG2 3.96Å; Y121-I138 VanDerWaalsContact CB-CG1 3.48Å; Y121-I138 HydrophobicContact CD2-CG1 3.86Å; Y121-I138 HydrophobicContact CG-CG1 3.85Å; L125-I138 HydrophobicContact CD1-CD1 3.25Å; L125-I138 HydrophobicContact CD2-CD1 4.18Å; L125-I138 HydrophobicContact CG-CD1 3.66Å; L134-I138 HydrophobicContact CG-CD1 4.21Å; L134-I138 VanDerWaalsContact O-CG1 3.29Å; L134-I138 WeakPolarHBondContact O-CG1 3.34Å; L134-I138 PolarHBondContact O-N 3.32Å; N136-I138 VanDerWaalsContact C-N 3.35Å; N136-I138 PolarHBondContact O-N 3.14Å; I138-M140 PolarHBondContact O-N 3.09Å; I138-S141 PolarHBondContact O-N 3.16Å; I138-I142 HydrophobicContact CG2-CD1 3.62Å; I138-I142 HydrophobicContact CG2-CG1 4.32Å; I138-I142 VanDerWaalsContact O-CG1 3.28Å; I138-I142 WeakPolarHBondContact O-CG1 2.95Å; I138-I142 PolarHBondContact O-N 3.31Å; I138-C154 HydrophobicContact CG2-CB 4.48Å
139G89.4Confident86.4Confident0 Ų046.4 Ų46.40%024%0.24CC..Hα-helixtrans-55.1-49.317700000112.3W135 N136 S141 I142 S143 A151W135-G139 PolarHBondContact O-N 3.14Å; N136-G139 PolarHBondContact O-N 2.92Å; G139-S141 PolarHBondContact O-N 2.73Å; G139-I142 PolarHBondContact O-N 3.19Å; G139-S143 PolarHBondContact O-N 3.42Å; G139-A151 WeakPolarHBondContact O-CB 3.47Å
140M87.9Confident86.7Confident37 Ų3749.4 Ų49.418%0.18225%0.25CC..Hα-helixtrans-62.7-42.8176.7-69.9-55.5-64.700112.7N136 I138 I142 S143 C144 N171 V175N136-M140 PolarHBondContact O-N 3.04Å; I138-M140 PolarHBondContact O-N 3.09Å; M140-I142 VanDerWaalsContact C-N 3.29Å; M140-I142 PolarHBondContact O-N 2.95Å; M140-S143 WeakPolarHBondContact O-CB 3.38Å; M140-S143 PolarHBondContact O-N 2.93Å; M140-S143 VanDerWaalsContact O-N 3.15Å; M140-C144 PolarHBondContact O-N 3.32Å; M140-C144 VanDerWaalsContact O-N 3.12Å; M140-C144 PolarHBondContact O-SG 3.24Å; M140-C144 VanDerWaalsContact O-SG 3.36Å; M140-N171 HydrophobicContact CG-CB 4.24Å; M140-N171 HydrophobicContact SD-CB 3.59Å; M140-N171 VanDerWaalsContact SD-CB 3.59Å; M140-V175 HydrophobicContact SD-CG2 4.42Å
141S87.1Confident87Confident0 Ų044 Ų440%022%0.221CC..Hα-helixtrans-64.9-33.2177.8-570000112.7H109 N137 I138 G139H109-S141 PolarHBondContact ND1-OG 3.21Å; N137-S141 WeakPolarHBondContact O-CB 2.92Å; N137-S141 PolarHBondContact O-N 3.11Å; N137-S141 PolarHBondContact O-OG 3.26Å; I138-S141 PolarHBondContact O-N 3.16Å; G139-S141 PolarHBondContact O-N 2.73Å
142I88.8Confident87.3Confident20 Ų2042.1 Ų42.110%0.10321%0.21CC..Hα-helixtrans-73-36.6173.4-66.8169.4000110.9L118 I138 G139 M140 C144 R145 V147 Q150 A151L118-I142 HydrophobicContact CD1-CG1 4.15Å; L118-I142 HydrophobicContact CD2-CD1 4.4Å; L118-I142 HydrophobicContact CD2-CG1 3.83Å; I138-I142 HydrophobicContact CG2-CD1 3.62Å; I138-I142 HydrophobicContact CG2-CG1 4.32Å; I138-I142 VanDerWaalsContact O-CG1 3.28Å; I138-I142 WeakPolarHBondContact O-CG1 2.95Å; I138-I142 PolarHBondContact O-N 3.31Å; G139-I142 PolarHBondContact O-N 3.19Å; M140-I142 VanDerWaalsContact C-N 3.29Å; M140-I142 PolarHBondContact O-N 2.95Å; I142-C144 VanDerWaalsContact C-N 3.32Å; I142-C144 PolarHBondContact O-N 3.21Å; I142-R145 WeakPolarHBondContact O-CB 2.91Å; I142-R145 PolarHBondContact O-N 2.85Å; I142-V147 HydrophobicContact CG2-CB 4.22Å; I142-V147 WeakPolarHBondContact CG2-O 3.25Å; I142-Q150 HydrophobicContact CG2-CB 3.78Å; I142-A151 HydrophobicContact CB-CB 4.26Å; I142-A151 HydrophobicContact CG2-CB 4.12Å
143S87.5Confident87.6Confident2 Ų245.8 Ų45.81%0.01423%0.234CC..Hα-helixtrans-60.3-44.1177.5-138.60000111.2G139 M140 R145 N146 V175 E178G139-S143 PolarHBondContact O-N 3.42Å; M140-S143 WeakPolarHBondContact O-CB 3.38Å; M140-S143 PolarHBondContact O-N 2.93Å; M140-S143 VanDerWaalsContact O-N 3.15Å; S143-R145 PolarHBondContact O-N 3.4Å; S143-N146 PolarHBondContact O-N 3.44Å; S143-V175 VanDerWaalsContact OG-CG2 3.22Å; S143-V175 WeakPolarHBondContact OG-CG2 3.5Å; S143-E178 PolarHBondContact OG-OE2 2.88Å
144C84.6Confident88.1Confident48 Ų4842.4 Ų42.432%0.32422%0.224SC..THydrogen-bonded Turntrans-61-18.7175.5-61.40000113.9H109 Y114 M140 I142 N146H109-C144 VanDerWaalsContact CE1-SG 3.57Å; Y114-C144 HydrophobicContact CD1-CB 3.82Å; Y114-C144 HydrophobicContact CD2-CB 3.96Å; Y114-C144 HydrophobicContact CE1-CB 3.49Å; Y114-C144 VanDerWaalsContact CE1-CB 3.49Å; Y114-C144 HydrophobicContact CE2-CB 3.63Å; Y114-C144 HydrophobicContact CG-CB 4.04Å; M140-C144 PolarHBondContact O-N 3.32Å; M140-C144 VanDerWaalsContact O-N 3.12Å; M140-C144 PolarHBondContact O-SG 3.24Å; M140-C144 VanDerWaalsContact O-SG 3.36Å; I142-C144 VanDerWaalsContact C-N 3.32Å; I142-C144 PolarHBondContact O-N 3.21Å; C144-N146 VanDerWaalsContact C-N 3.27Å; C144-N146 PolarHBondContact O-N 2.67Å
145R84.5Confident88.5Confident113 Ų11342 Ų4243%0.42622%0.222SC..THydrogen-bonded Turntrans-84.99.7173.5-65.5-173.768.1161.819.3114D115 I142 S143 V147D115-R145 IonicContact OD1-CZ 2.67Å; D115-R145 IonicContact OD1-NE 2.82Å; D115-R145 IonicContact OD1-NH1 2.69Å; D115-R145 PolarHBondContact OD1-NH1 3.05Å; D115-R145 IonicContact OD1-NH2 2.85Å; D115-R145 PolarHBondContact OD1-NH2 2.99Å; D115-R145 IonicContact OD2-CZ 2.91Å; D115-R145 IonicContact OD2-NH2 3.43Å; D115-R145 PolarHBondContact OD2-NH2 2.73Å; I142-R145 WeakPolarHBondContact O-CB 2.91Å; I142-R145 PolarHBondContact O-N 2.85Å; S143-R145 PolarHBondContact O-N 3.4Å; R145-V147 VanDerWaalsContact C-N 3.26Å; R145-V147 PolarHBondContact O-N 2.75Å
146N80.6Confident88.6Confident146 Ų14645.7 Ų45.778%0.78124%0.239SC*.THydrogen-bonded Turntrans60.130.1-176.2-67.8-37.4000114.1S143 C144 P148S143-N146 PolarHBondContact O-N 3.44Å; C144-N146 VanDerWaalsContact C-N 3.27Å; C144-N146 PolarHBondContact O-N 2.67Å; N146-P148 VanDerWaalsContact O-CD 3.25Å; N146-P148 WeakPolarHBondContact O-CD 3.41Å
147V86.5Confident88.8Confident57 Ų5750.8 Ų50.835%0.34526%0.258SS..  trans-116.666.1172.6-165.30000110.4I142 R145 L149 Q150 A151I142-V147 HydrophobicContact CG2-CB 4.22Å; I142-V147 WeakPolarHBondContact CG2-O 3.25Å; R145-V147 VanDerWaalsContact C-N 3.26Å; R145-V147 PolarHBondContact O-N 2.75Å; V147-L149 VanDerWaalsContact C-N 3.29Å; V147-L149 PolarHBondContact O-N 3.31Å; V147-Q150 HydrophobicContact CG1-CB 4.02Å; V147-Q150 HydrophobicContact CG1-CG 3.75Å; V147-Q150 PolarHBondContact O-N 3.28Å; V147-A151 PolarHBondContact O-N 3.38Å
148P86.3Confident89.2Confident34 Ų3450 Ų5022%0.22125%0.254CS..Hα-helixtrans-67.9-26.2-166.328.5-37.6000113.3N146 Q150 A151 I152 V175 V179N146-P148 VanDerWaalsContact O-CD 3.25Å; N146-P148 WeakPolarHBondContact O-CD 3.41Å; P148-Q150 PolarHBondContact O-N 2.92Å; P148-A151 WeakPolarHBondContact O-CB 3.31Å; P148-A151 PolarHBondContact O-N 3.36Å; P148-I152 VanDerWaalsContact O-CG1 3.29Å; P148-I152 WeakPolarHBondContact O-CG1 3.29Å; P148-I152 PolarHBondContact O-N 2.98Å; P148-V175 HydrophobicContact CB-CG1 3.97Å; P148-V179 HydrophobicContact CB-CG2 3.4Å; P148-V179 VanDerWaalsContact CB-CG2 3.4Å; P148-V179 HydrophobicContact CG-CG2 3.61Å
149L89.4Confident89.4Confident119 Ų11952 Ų5262%0.62326%0.263SS*.Hα-helixtrans-63.5-41.3176.7-67.3175.1000112.4V147 I152 C153V147-L149 VanDerWaalsContact C-N 3.29Å; V147-L149 PolarHBondContact O-N 3.31Å; L149-I152 PolarHBondContact O-N 3.35Å; L149-C153 PolarHBondContact O-N 3.37Å; L149-C153 PolarHBondContact O-SG 3.3Å
150Q90.7Very high89.5Confident120 Ų12061.3 Ų61.356%0.56130%0.299SS*.Hα-helixtrans-70.4-35.9176.2-69.1-178.62900111.2I142 V147 P148 C153 C154I142-Q150 HydrophobicContact CG2-CB 3.78Å; V147-Q150 HydrophobicContact CG1-CB 4.02Å; V147-Q150 HydrophobicContact CG1-CG 3.75Å; V147-Q150 PolarHBondContact O-N 3.28Å; P148-Q150 PolarHBondContact O-N 2.92Å; Q150-C153 PolarHBondContact O-N 2.86Å; Q150-C154 PolarHBondContact O-N 2.87Å; Q150-C154 VanDerWaalsContact O-N 3.09Å; Q150-C154 PolarHBondContact O-SG 2.91Å
151A91.9Very high89.7Confident0 Ų062.2 Ų62.20%031%0.305CS..Hα-helixtrans-59.8-46.5173.300000111.3G139 I142 V147 P148 C153 C154 L155 V175G139-A151 WeakPolarHBondContact O-CB 3.47Å; I142-A151 HydrophobicContact CB-CB 4.26Å; I142-A151 HydrophobicContact CG2-CB 4.12Å; V147-A151 PolarHBondContact O-N 3.38Å; P148-A151 WeakPolarHBondContact O-CB 3.31Å; P148-A151 PolarHBondContact O-N 3.36Å; A151-C153 VanDerWaalsContact C-N 3.33Å; A151-C153 PolarHBondContact O-N 3.24Å; A151-C154 PolarHBondContact O-N 3.45Å; A151-C154 VanDerWaalsContact O-N 3.17Å; A151-L155 WeakPolarHBondContact O-CB 3.44Å; A151-L155 VanDerWaalsContact O-CG 3.31Å; A151-L155 WeakPolarHBondContact O-CG 2.92Å; A151-L155 PolarHBondContact O-N 3.33Å; A151-V175 HydrophobicContact CB-CG1 4.06Å
152I92.7Very high89.8Confident12 Ų1263.5 Ų63.56%0.06232%0.315CS..Hα-helixtrans-58-43.7176.2-68.6164000111.1P148 L149 C154 L155 K156 V175 V179P148-I152 VanDerWaalsContact O-CG1 3.29Å; P148-I152 WeakPolarHBondContact O-CG1 3.29Å; P148-I152 PolarHBondContact O-N 2.98Å; L149-I152 PolarHBondContact O-N 3.35Å; I152-C154 PolarHBondContact O-N 3.33Å; I152-L155 PolarHBondContact O-N 3.12Å; I152-K156 HydrophobicContact CG2-CD 3.95Å; I152-K156 HydrophobicContact CG2-CG 4.22Å; I152-K156 VanDerWaalsContact O-CB 3.31Å; I152-K156 WeakPolarHBondContact O-CB 3.43Å; I152-K156 VanDerWaalsContact O-CG 3.28Å; I152-K156 WeakPolarHBondContact O-CG 3.48Å; I152-K156 PolarHBondContact O-N 2.79Å; I152-V175 HydrophobicContact CD1-CG1 4.24Å; I152-V175 HydrophobicContact CG1-CB 4.45Å; I152-V175 HydrophobicContact CG1-CG1 3.64Å; I152-V179 HydrophobicContact CD1-CG2 4.05Å
153C92.8Very high89.8Confident88 Ų8866 Ų6660%0.59533%0.332SS*.Hα-helixtrans-60.6-44.8176.9-70.10000112.3L149 Q150 A151 K156 R157L149-C153 PolarHBondContact O-N 3.37Å; L149-C153 PolarHBondContact O-SG 3.3Å; Q150-C153 PolarHBondContact O-N 2.86Å; A151-C153 VanDerWaalsContact C-N 3.33Å; A151-C153 PolarHBondContact O-N 3.24Å; C153-K156 PolarHBondContact O-N 2.85Å; C153-R157 PolarHBondContact O-N 3.25Å; C153-R157 VanDerWaalsContact O-N 3.09Å
154C91.9Very high89.7Confident18 Ų1871.9 Ų71.912%0.12236%0.363CS..Hα-helixtrans-65.4-43.5178.2-62.90000111.8W135 I138 Q150 A151 I152 R157 A158W135-C154 HydrophobicContact CE3-CB 4.17Å; I138-C154 HydrophobicContact CG2-CB 4.48Å; Q150-C154 PolarHBondContact O-N 2.87Å; Q150-C154 VanDerWaalsContact O-N 3.09Å; Q150-C154 PolarHBondContact O-SG 2.91Å; A151-C154 PolarHBondContact O-N 3.45Å; A151-C154 VanDerWaalsContact O-N 3.17Å; I152-C154 PolarHBondContact O-N 3.33Å; C154-R157 WeakPolarHBondContact O-CB 3.48Å; C154-R157 PolarHBondContact O-N 3.47Å; C154-A158 PolarHBondContact O-N 2.75Å
155L92.6Very high89.8Confident0 Ų071.6 Ų71.60%036%0.357CS..Hα-helixtrans-68.8-35.6178.6-70.4174000112.5N136 A151 I152 R157 A158 H159 N171 L172 V175N136-L155 WeakPolarHBondContact OD1-CD2 3.1Å; A151-L155 WeakPolarHBondContact O-CB 3.44Å; A151-L155 VanDerWaalsContact O-CG 3.31Å; A151-L155 WeakPolarHBondContact O-CG 2.92Å; A151-L155 PolarHBondContact O-N 3.33Å; I152-L155 PolarHBondContact O-N 3.12Å; L155-R157 VanDerWaalsContact C-N 3.32Å; L155-R157 PolarHBondContact O-N 2.88Å; L155-A158 WeakPolarHBondContact O-CB 2.87Å; L155-A158 PolarHBondContact O-N 3.3Å; L155-H159 WeakPolarHBondContact O-CB 3.5Å; L155-H159 PolarHBondContact O-N 3.33Å; L155-N171 HydrophobicContact CD1-CB 4.36Å; L155-N171 HydrophobicContact CD2-CB 4.02Å; L155-L172 HydrophobicContact CB-CD2 3.28Å; L155-L172 HydrophobicContact CB-CG 3.7Å; L155-L172 HydrophobicContact CD1-CD2 4.14Å; L155-L172 HydrophobicContact CD1-CG 4.43Å; L155-L172 HydrophobicContact CG-CD2 4.34Å; L155-V175 HydrophobicContact CD1-CB 4.15Å; L155-V175 HydrophobicContact CD1-CG2 3.53Å
156K93.7Very high89.9Confident113 Ų11368.8 Ų68.849%0.49135%0.346SS..Hα-helixtrans-63.6-38.9171.7-79.5-178.8176.4-177.10111.6I152 C153 H159 Y160 L172I152-K156 HydrophobicContact CG2-CD 3.95Å; I152-K156 HydrophobicContact CG2-CG 4.22Å; I152-K156 VanDerWaalsContact O-CB 3.31Å; I152-K156 WeakPolarHBondContact O-CB 3.43Å; I152-K156 VanDerWaalsContact O-CG 3.28Å; I152-K156 WeakPolarHBondContact O-CG 3.48Å; I152-K156 PolarHBondContact O-N 2.79Å; C153-K156 PolarHBondContact O-N 2.85Å; K156-H159 PolarHBondContact O-N 3.26Å; K156-Y160 PolarHBondContact O-N 2.96Å; K156-L172 HydrophobicContact CG-CD2 4.24Å
157R92.7Very high90.1Very high110 Ų11062.6 Ų62.642%0.41531%0.313SS..Hα-helixtrans-64.3-42.8172.5-176.9170.7179.3158.40.9111.4W135 C153 C154 L155 H159 Y160 L161W135-R157 HydrophobicContact CD2-CG 4.16Å; W135-R157 VanDerWaalsContact CE2-CD 3.49Å; W135-R157 VanDerWaalsContact CE2-NE 3.29Å; W135-R157 HydrophobicContact CG-CG 4.3Å; W135-R157 VanDerWaalsContact CZ2-NE 3.29Å; C153-R157 PolarHBondContact O-N 3.25Å; C153-R157 VanDerWaalsContact O-N 3.09Å; C154-R157 WeakPolarHBondContact O-CB 3.48Å; C154-R157 PolarHBondContact O-N 3.47Å; L155-R157 VanDerWaalsContact C-N 3.32Å; L155-R157 PolarHBondContact O-N 2.88Å; R157-H159 VanDerWaalsContact C-N 3.3Å; R157-H159 PolarHBondContact O-N 3.41Å; R157-Y160 PolarHBondContact O-N 3.15Å; R157-L161 HydrophobicContact CG-CD1 4.35Å; R157-L161 WeakPolarHBondContact O-CG 3.47Å; R157-L161 PolarHBondContact O-N 3.44Å; R157-L161 VanDerWaalsContact O-N 3.13Å
158A92.3Very high90.2Very high0 Ų060 Ų600%030%0.297CS..Hα-helixtrans-57.9-44.3173.500000111.4A132 W135 N136 C154 L155 L161 A162 I168A132-A158 WeakPolarHBondContact O-CB 3.36Å; W135-A158 HydrophobicContact CB-CB 3.66Å; N136-A158 HydrophobicContact CB-CB 4.22Å; C154-A158 PolarHBondContact O-N 2.75Å; L155-A158 WeakPolarHBondContact O-CB 2.87Å; L155-A158 PolarHBondContact O-N 3.3Å; A158-L161 PolarHBondContact O-N 3.09Å; A158-A162 PolarHBondContact O-N 2.95Å; A158-I168 HydrophobicContact CB-CD1 3.96Å; A158-I168 HydrophobicContact CB-CG1 4.44Å; A158-I168 HydrophobicContact CB-CG2 3.8Å
159H92.7Very high90.4Very high54 Ų5458.5 Ų58.525%0.2529%0.287CS..Hα-helixtrans-67.1-37.4179.2-178.853.2000112.6L155 K156 R157 L161 A162 P163 I168 L172L155-H159 WeakPolarHBondContact O-CB 3.5Å; L155-H159 PolarHBondContact O-N 3.33Å; K156-H159 PolarHBondContact O-N 3.26Å; R157-H159 VanDerWaalsContact C-N 3.3Å; R157-H159 PolarHBondContact O-N 3.41Å; H159-L161 VanDerWaalsContact C-N 3.3Å; H159-L161 PolarHBondContact O-N 2.82Å; H159-A162 CarbonylContact O-C 3.55Å; H159-A162 PolarHBondContact O-N 3.29Å; H159-P163 PolarHBondContact CE1-O 2.96Å; H159-P163 VanDerWaalsContact O-CA 3.26Å; H159-P163 WeakPolarHBondContact O-CA 3.34Å; H159-P163 VanDerWaalsContact O-N 3.12Å; H159-I168 HydrophobicContact CB-CG2 3.92Å; H159-L172 HydrophobicContact CB-CD1 3.89Å
160Y93.4Very high90.4Very high197 Ų19754.7 Ų54.777%0.77327%0.265SS*.Hα-helixtrans-61.4-39.4173.7-179.4-98000112.1K156 R157K156-Y160 PolarHBondContact O-N 2.96Å; R157-Y160 PolarHBondContact O-N 3.15Å
161L91.6Very high90.3Very high56 Ų5649.9 Ų49.929%0.29324%0.243SC..Hα-helixtrans-74.9-33.5178.8-67.6168.1000112.8D130 A132 W135 R157 A158 H159D130-L161 HydrophobicContact CB-CD2 4.08Å; A132-L161 HydrophobicContact CB-CB 3.65Å; W135-L161 HydrophobicContact CG-CD1 4.49Å; R157-L161 HydrophobicContact CG-CD1 4.35Å; R157-L161 WeakPolarHBondContact O-CG 3.47Å; R157-L161 PolarHBondContact O-N 3.44Å; R157-L161 VanDerWaalsContact O-N 3.13Å; A158-L161 PolarHBondContact O-N 3.09Å; H159-L161 VanDerWaalsContact C-N 3.3Å; H159-L161 PolarHBondContact O-N 2.82Å
162A89.3Confident90.3Very high26 Ų2649.9 Ų49.922%0.21524%0.243CC..  trans-137.184178.400000111.3A132 A158 H159 L164 E165 I168A132-A162 HydrophobicContact CB-CB 3.45Å; A132-A162 VanDerWaalsContact CB-CB 3.45Å; A158-A162 PolarHBondContact O-N 2.95Å; H159-A162 CarbonylContact O-C 3.55Å; H159-A162 PolarHBondContact O-N 3.29Å; A162-L164 VanDerWaalsContact C-N 3.28Å; A162-L164 PolarHBondContact O-N 3.48Å; A162-E165 HydrophobicContact CB-CB 4Å; A162-E165 PolarHBondContact O-N 3.41Å; A162-I168 HydrophobicContact CB-CD1 4.02Å
163P88.8Confident90.2Very high72 Ų7249.3 Ų49.347%0.46824%0.24SC..THydrogen-bonded Turntrans-70.3-23-174.125.3-33.9000113.9H159H159-P163 PolarHBondContact CE1-O 2.96Å; H159-P163 VanDerWaalsContact O-CA 3.26Å; H159-P163 WeakPolarHBondContact O-CA 3.34Å; H159-P163 VanDerWaalsContact O-N 3.12Å
164L85.6Confident89.9Confident127 Ų12747 Ų4767%0.66522%0.222SC*.THydrogen-bonded Turntrans-90.9-5.3-177.6-57.2176.8000113.4A162 W166 F195A162-L164 VanDerWaalsContact C-N 3.28Å; A162-L164 PolarHBondContact O-N 3.48Å; L164-W166 PolarHBondContact O-N 3.4Å; L164-F195 HydrophobicContact CD2-CD1 4.46Å; L164-F195 HydrophobicContact CD2-CE1 3.54Å; L164-F195 HydrophobicContact CD2-CZ 3.78Å
165E85.8Confident89.9Confident41 Ų4146.2 Ų46.219%0.19222%0.216CC..  trans-80.2103.9-176.9-176.463.4-123.100110.6A162 K167 I168 L169A162-E165 HydrophobicContact CB-CB 4Å; A162-E165 PolarHBondContact O-N 3.41Å; E165-K167 HydrophobicContact CG-CB 4.34Å; E165-K167 PolarHBondContact O-N 3.38Å; E165-I168 HydrophobicContact CB-CD1 3.81Å; E165-I168 HydrophobicContact CB-CG1 4.04Å; E165-I168 HydrophobicContact CG-CD1 3.85Å; E165-I168 HydrophobicContact CG-CG1 3.72Å; E165-I168 PolarHBondContact O-N 2.83Å; E165-I168 VanDerWaalsContact O-N 3.16Å; E165-L169 PolarHBondContact O-N 3.3Å
166W86.5Confident89.8Confident54 Ų5446.5 Ų46.521%0.20522%0.217CC..Hα-helixtrans-61.4-29.9-176.973.4-91.4000113.1L164 I168 L169 Y170 F195 N196 L202L164-W166 PolarHBondContact O-N 3.4Å; W166-I168 VanDerWaalsContact C-N 3.3Å; W166-I168 PolarHBondContact O-N 3.45Å; W166-L169 PolarHBondContact O-N 2.96Å; W166-Y170 WeakPolarHBondContact O-CB 3.44Å; W166-Y170 PolarHBondContact O-N 2.96Å; W166-F195 HydrophobicContact CB-CB 3.76Å; W166-N196 HydrophobicContact CB-CB 4.1Å; W166-N196 HydrophobicContact CD2-CB 3.55Å; W166-N196 HydrophobicContact CE3-CB 4.12Å; W166-N196 HydrophobicContact CG-CB 3.52Å; W166-N196 WeakPolarHBondContact CZ2-ND2 3.36Å; W166-L202 HydrophobicContact CE3-CD1 4.48Å
167K85Confident89.5Confident16 Ų1643.1 Ų43.17%0.0720%0.204CC..Hα-helixtrans-63.7-36.4178.4-66.3-174.5176.2-169.40111.9S67 N68 D69 E165 Y170 N171S67-K167 PolarHBondContact O-NZ 3.29Å; N68-K167 HydrophobicContact CB-CD 4.19Å; D69-K167 IonicContact OD1-NZ 3.21Å; D69-K167 PolarHBondContact OD1-NZ 3.39Å; D69-K167 IonicContact OD2-NZ 3.32Å; E165-K167 HydrophobicContact CG-CB 4.34Å; E165-K167 PolarHBondContact O-N 3.38Å; K167-Y170 PolarHBondContact O-N 3.39Å; K167-N171 WeakPolarHBondContact O-CB 3.48Å; K167-N171 VanDerWaalsContact O-CG 3.24Å; K167-N171 PolarHBondContact O-N 3.05Å; K167-N171 PolarHBondContact O-ND2 2.72Å
168I89.2Confident89.2Confident2 Ų243.3 Ų43.31%0.0121%0.21CC..Hα-helixtrans-70.2-42.4177.5-57.5175.7000110.2A132 N136 A158 H159 A162 E165 W166 Y170 N171 L172A132-I168 HydrophobicContact CB-CD1 4.07Å; N136-I168 HydrophobicContact CB-CG1 4.06Å; A158-I168 HydrophobicContact CB-CD1 3.96Å; A158-I168 HydrophobicContact CB-CG1 4.44Å; A158-I168 HydrophobicContact CB-CG2 3.8Å; H159-I168 HydrophobicContact CB-CG2 3.92Å; A162-I168 HydrophobicContact CB-CD1 4.02Å; E165-I168 HydrophobicContact CB-CD1 3.81Å; E165-I168 HydrophobicContact CB-CG1 4.04Å; E165-I168 HydrophobicContact CG-CD1 3.85Å; E165-I168 HydrophobicContact CG-CG1 3.72Å; E165-I168 PolarHBondContact O-N 2.83Å; E165-I168 VanDerWaalsContact O-N 3.16Å; W166-I168 VanDerWaalsContact C-N 3.3Å; W166-I168 PolarHBondContact O-N 3.45Å; I168-Y170 VanDerWaalsContact C-N 3.34Å; I168-N171 PolarHBondContact O-N 3.34Å; I168-L172 HydrophobicContact CG2-CD1 4.49Å; I168-L172 WeakPolarHBondContact O-CB 3.37Å; I168-L172 PolarHBondContact O-N 3.49Å
169L90.6Very high89.1Confident4 Ų445.2 Ų45.22%0.02122%0.222CC..Hα-helixtrans-62.3-41.9175.1-71.7169.5000111.7E165 W166 L172 G173 F188 A191 A192 F195E165-L169 PolarHBondContact O-N 3.3Å; W166-L169 PolarHBondContact O-N 2.96Å; L169-L172 PolarHBondContact O-N 3.13Å; L169-G173 PolarHBondContact O-N 3.34Å; L169-F188 HydrophobicContact CD2-CD1 3.8Å; L169-A191 HydrophobicContact CD1-CB 4.07Å; L169-A191 HydrophobicContact CD2-CB 4.36Å; L169-A192 HydrophobicContact CB-CB 3.77Å; L169-F195 HydrophobicContact CD1-CD2 3.67Å; L169-F195 HydrophobicContact CD1-CE2 3.84Å
170Y88.6Confident88.8Confident39 Ų3950.8 Ų50.815%0.15325%0.245CC..Hα-helixtrans-58.5-51174.5173.7-110.8000111.6W166 K167 I168 L172 G173 L174 L189 L201 L202 I205W166-Y170 WeakPolarHBondContact O-CB 3.44Å; W166-Y170 PolarHBondContact O-N 2.96Å; K167-Y170 PolarHBondContact O-N 3.39Å; I168-Y170 VanDerWaalsContact C-N 3.34Å; Y170-L172 PolarHBondContact O-N 3.22Å; Y170-G173 WeakPolarHBondContact O-CA 3.37Å; Y170-G173 PolarHBondContact O-N 3.35Å; Y170-G173 VanDerWaalsContact O-N 3.1Å; Y170-L174 HydrophobicContact CD1-CD1 4.08Å; Y170-L174 HydrophobicContact CE1-CD1 3.42Å; Y170-L174 VanDerWaalsContact CE1-CD1 3.42Å; Y170-L174 HydrophobicContact CE1-CG 4.12Å; Y170-L174 HydrophobicContact CE2-CD1 4.27Å; Y170-L174 HydrophobicContact CE2-CD2 4.2Å; Y170-L174 HydrophobicContact CE2-CG 4.15Å; Y170-L174 PolarHBondContact O-N 3.44Å; Y170-L189 HydrophobicContact CD2-CD2 3.77Å; Y170-L189 HydrophobicContact CE2-CD2 4.28Å; Y170-L201 WeakPolarHBondContact OH-CD2 3.48Å; Y170-L202 HydrophobicContact CD2-CD2 3.38Å; Y170-L202 HydrophobicContact CD2-CG 4.26Å; Y170-L202 HydrophobicContact CE2-CD2 3.93Å; Y170-L202 HydrophobicContact CG-CD2 4.37Å; Y170-I205 HydrophobicContact CE2-CD1 3.52Å
171N89.2Confident88.4Confident19 Ų1945.5 Ų45.510%0.10223%0.227CC..Hα-helixtrans-63.1-41.6178.7-72.7-14.4000112.2N136 M140 L155 K167 I168 G173 L174 V175N136-N171 PolarHBondContact ND2-ND2 3.07Å; N136-N171 PolarHBondContact OD1-ND2 2.63Å; M140-N171 HydrophobicContact CG-CB 4.24Å; M140-N171 HydrophobicContact SD-CB 3.59Å; M140-N171 VanDerWaalsContact SD-CB 3.59Å; L155-N171 HydrophobicContact CD1-CB 4.36Å; L155-N171 HydrophobicContact CD2-CB 4.02Å; K167-N171 WeakPolarHBondContact O-CB 3.48Å; K167-N171 VanDerWaalsContact O-CG 3.24Å; K167-N171 PolarHBondContact O-N 3.05Å; K167-N171 PolarHBondContact O-ND2 2.72Å; I168-N171 PolarHBondContact O-N 3.34Å; N171-G173 VanDerWaalsContact C-N 3.29Å; N171-G173 PolarHBondContact O-N 3.12Å; N171-L174 PolarHBondContact O-N 3.28Å; N171-V175 WeakPolarHBondContact O-CG2 3.45Å; N171-V175 PolarHBondContact O-N 2.84Å
172L91.3Very high88.1Confident0 Ų046.6 Ų46.60%023%0.232CC..Hα-helixtrans-56.2-45.8171-84.1172.2000111.4L155 K156 H159 I168 L169 Y170 V175 H176 F188L155-L172 HydrophobicContact CB-CD2 3.28Å; L155-L172 HydrophobicContact CB-CG 3.7Å; L155-L172 HydrophobicContact CD1-CD2 4.14Å; L155-L172 HydrophobicContact CD1-CG 4.43Å; L155-L172 HydrophobicContact CG-CD2 4.34Å; K156-L172 HydrophobicContact CG-CD2 4.24Å; H159-L172 HydrophobicContact CB-CD1 3.89Å; I168-L172 HydrophobicContact CG2-CD1 4.49Å; I168-L172 WeakPolarHBondContact O-CB 3.37Å; I168-L172 PolarHBondContact O-N 3.49Å; L169-L172 PolarHBondContact O-N 3.13Å; Y170-L172 PolarHBondContact O-N 3.22Å; L172-V175 PolarHBondContact O-N 2.85Å; L172-H176 WeakPolarHBondContact O-CB 2.97Å; L172-H176 PolarHBondContact O-CD2 3.07Å; L172-H176 PolarHBondContact O-N 3.01Å; L172-F188 HydrophobicContact CB-CB 4.24Å; L172-F188 HydrophobicContact CB-CD1 4.35Å; L172-F188 HydrophobicContact CB-CD2 4.2Å; L172-F188 HydrophobicContact CB-CG 4.02Å; L172-F188 HydrophobicContact CD1-CD1 4.14Å; L172-F188 HydrophobicContact CD1-CE1 4.08Å; L172-F188 HydrophobicContact CD1-CZ 4.5Å
173G89.8Confident87.8Confident0 Ų049.5 Ų49.50%026%0.256CS..Hα-helixtrans-55.4-50175.500000112.9L169 Y170 N171 H176 L177L169-G173 PolarHBondContact O-N 3.34Å; Y170-G173 WeakPolarHBondContact O-CA 3.37Å; Y170-G173 PolarHBondContact O-N 3.35Å; Y170-G173 VanDerWaalsContact O-N 3.1Å; N171-G173 VanDerWaalsContact C-N 3.29Å; N171-G173 PolarHBondContact O-N 3.12Å; G173-H176 PolarHBondContact O-N 3.25Å; G173-L177 WeakPolarHBondContact O-CG 3.45Å; G173-L177 PolarHBondContact O-N 3.43Å
174L88.2Confident87.7Confident40 Ų4047.5 Ų47.521%0.20924%0.244CC..Hα-helixtrans-60.4-48.2177.7-70.1-177.4000112.5Y170 N171 H176 L177 E178 I205Y170-L174 HydrophobicContact CD1-CD1 4.08Å; Y170-L174 HydrophobicContact CE1-CD1 3.42Å; Y170-L174 VanDerWaalsContact CE1-CD1 3.42Å; Y170-L174 HydrophobicContact CE1-CG 4.12Å; Y170-L174 HydrophobicContact CE2-CD1 4.27Å; Y170-L174 HydrophobicContact CE2-CD2 4.2Å; Y170-L174 HydrophobicContact CE2-CG 4.15Å; Y170-L174 PolarHBondContact O-N 3.44Å; N171-L174 PolarHBondContact O-N 3.28Å; L174-H176 VanDerWaalsContact C-N 3.28Å; L174-H176 PolarHBondContact O-N 3.27Å; L174-L177 WeakPolarHBondContact O-CA 3.49Å; L174-L177 VanDerWaalsContact O-CB 3.31Å; L174-L177 WeakPolarHBondContact O-CB 3.19Å; L174-L177 PolarHBondContact O-N 3.27Å; L174-E178 PolarHBondContact O-N 3.45Å; L174-E178 VanDerWaalsContact O-N 3.07Å; L174-I205 HydrophobicContact CD2-CD1 3.99Å
175V90.7Very high87.8Confident0 Ų041.5 Ų41.50%021%0.212CC..Hα-helixtrans-64.9-35.2179.4-179.40000111.2M140 S143 P148 A151 I152 L155 N171 L172 L177 E178 V179M140-V175 HydrophobicContact SD-CG2 4.42Å; S143-V175 VanDerWaalsContact OG-CG2 3.22Å; S143-V175 WeakPolarHBondContact OG-CG2 3.5Å; P148-V175 HydrophobicContact CB-CG1 3.97Å; A151-V175 HydrophobicContact CB-CG1 4.06Å; I152-V175 HydrophobicContact CD1-CG1 4.24Å; I152-V175 HydrophobicContact CG1-CB 4.45Å; I152-V175 HydrophobicContact CG1-CG1 3.64Å; L155-V175 HydrophobicContact CD1-CB 4.15Å; L155-V175 HydrophobicContact CD1-CG2 3.53Å; N171-V175 WeakPolarHBondContact O-CG2 3.45Å; N171-V175 PolarHBondContact O-N 2.84Å; L172-V175 PolarHBondContact O-N 2.85Å; V175-L177 VanDerWaalsContact C-N 3.31Å; V175-L177 PolarHBondContact O-N 3.26Å; V175-E178 WeakPolarHBondContact O-CB 3.31Å; V175-E178 PolarHBondContact O-N 2.93Å; V175-V179 WeakPolarHBondContact O-CG2 3.46Å; V175-V179 PolarHBondContact O-N 3.28Å; V175-V179 VanDerWaalsContact O-N 3.15Å
176H91.1Very high87.8Confident6 Ų642.6 Ų42.63%0.02822%0.216CC..Hα-helixtrans-66.7-30.8173.3-82.4-66.3000113.2L172 G173 L174 V179 K180 Q181 S184 A185 F188L172-H176 WeakPolarHBondContact O-CB 2.97Å; L172-H176 PolarHBondContact O-CD2 3.07Å; L172-H176 PolarHBondContact O-N 3.01Å; G173-H176 PolarHBondContact O-N 3.25Å; L174-H176 VanDerWaalsContact C-N 3.28Å; L174-H176 PolarHBondContact O-N 3.27Å; H176-V179 PolarHBondContact O-N 2.94Å; H176-K180 PolarHBondContact O-N 2.91Å; H176-Q181 PolarHBondContact CE1-OE1 3.49Å; H176-Q181 VanDerWaalsContact CE1-OE1 3.24Å; H176-Q181 PolarHBondContact ND1-OE1 3.33Å; H176-Q181 PolarHBondContact O-N 3.45Å; H176-S184 VanDerWaalsContact CG-OG 3.29Å; H176-S184 PolarHBondContact ND1-OG 2.99Å; H176-A185 HydrophobicContact CB-CB 3.81Å; H176-F188 AromaticContact CD2-CD2 3.5Å; H176-F188 VanDerWaalsContact CD2-CD2 3.5Å; H176-F188 WeakPolarHBondContact CD2-CD2 3.29Å; H176-F188 AromaticContact CD2-CE2 3.52Å; H176-F188 AromaticContact NE2-CD2 3.91Å; H176-F188 AromaticContact NE2-CE2 3.39Å; H176-F188 WeakPolarHBondContact NE2-CE2 3.4Å
177L87.1Confident87.8Confident43 Ų4345.9 Ų45.923%0.22523%0.234CC..Hα-helixtrans-65.6-41.4170.6-70.5173.9000111.6G173 L174 V175 V179 K180 M182 A185 L189 I205 M209G173-L177 WeakPolarHBondContact O-CG 3.45Å; G173-L177 PolarHBondContact O-N 3.43Å; L174-L177 WeakPolarHBondContact O-CA 3.49Å; L174-L177 VanDerWaalsContact O-CB 3.31Å; L174-L177 WeakPolarHBondContact O-CB 3.19Å; L174-L177 PolarHBondContact O-N 3.27Å; V175-L177 VanDerWaalsContact C-N 3.31Å; V175-L177 PolarHBondContact O-N 3.26Å; L177-V179 VanDerWaalsContact C-N 3.27Å; L177-V179 PolarHBondContact O-N 3.5Å; L177-K180 WeakPolarHBondContact O-CA 3.33Å; L177-K180 PolarHBondContact O-N 2.96Å; L177-M182 HydrophobicContact CD2-SD 3.74Å; L177-A185 HydrophobicContact CD2-CB 3.6Å; L177-A185 HydrophobicContact CG-CB 3.7Å; L177-L189 HydrophobicContact CD1-CD1 4.07Å; L177-I205 HydrophobicContact CD1-CG2 3.56Å; L177-M209 HydrophobicContact CD1-SD 4.38Å; L177-M209 HydrophobicContact CD2-CE 3.68Å; L177-M209 HydrophobicContact CD2-CG 3.74Å; L177-M209 HydrophobicContact CD2-SD 3.75Å; L177-M209 HydrophobicContact CG-SD 4.48Å
178E87Confident88Confident113 Ų11346.6 Ų46.653%0.52824%0.237SC..Hα-helixtrans-59.7-37.7175.3-66.9177.9172.600111.8S143 L174 V175 K180S143-E178 PolarHBondContact OG-OE2 2.88Å; L174-E178 PolarHBondContact O-N 3.45Å; L174-E178 VanDerWaalsContact O-N 3.07Å; V175-E178 WeakPolarHBondContact O-CB 3.31Å; V175-E178 PolarHBondContact O-N 2.93Å; E178-K180 PolarHBondContact O-N 3.42Å
179V89.5Confident87.9Confident41 Ų4146.5 Ų46.525%0.24824%0.237CC..THydrogen-bonded Turntrans-80.41.2175.7-170.20000112.7P148 I152 V175 H176 L177 Q181P148-V179 HydrophobicContact CB-CG2 3.4Å; P148-V179 VanDerWaalsContact CB-CG2 3.4Å; P148-V179 HydrophobicContact CG-CG2 3.61Å; I152-V179 HydrophobicContact CD1-CG2 4.05Å; V175-V179 WeakPolarHBondContact O-CG2 3.46Å; V175-V179 PolarHBondContact O-N 3.28Å; V175-V179 VanDerWaalsContact O-N 3.15Å; H176-V179 PolarHBondContact O-N 2.94Å; L177-V179 VanDerWaalsContact C-N 3.27Å; L177-V179 PolarHBondContact O-N 3.5Å; V179-Q181 HydrophobicContact CB-CG 4.35Å; V179-Q181 HydrophobicContact CG1-CG 4.01Å; V179-Q181 PolarHBondContact O-N 3.45Å
180K85.6Confident87.6Confident171 Ų17147.1 Ų47.174%0.74324%0.241SC*.THydrogen-bonded Turntrans59.323-175.6-53.8-177.6178.5-178.10114.2H176 L177 E178 M182H176-K180 PolarHBondContact O-N 2.91Å; L177-K180 WeakPolarHBondContact O-CA 3.33Å; L177-K180 PolarHBondContact O-N 2.96Å; E178-K180 PolarHBondContact O-N 3.42Å; K180-M182 VanDerWaalsContact C-N 3.32Å; K180-M182 PolarHBondContact O-N 3.21Å; K180-M182 VanDerWaalsContact O-N 3.11Å
181Q86.8Confident87.5Confident85 Ų8546.1 Ų46.140%0.39724%0.241SC..  trans-86.676.1174.1-66.9-179.9-15.800109.7H176 V179 A183 S184 A185H176-Q181 PolarHBondContact CE1-OE1 3.49Å; H176-Q181 VanDerWaalsContact CE1-OE1 3.24Å; H176-Q181 PolarHBondContact ND1-OE1 3.33Å; H176-Q181 PolarHBondContact O-N 3.45Å; V179-Q181 HydrophobicContact CB-CG 4.35Å; V179-Q181 HydrophobicContact CG1-CG 4.01Å; V179-Q181 PolarHBondContact O-N 3.45Å; Q181-A183 VanDerWaalsContact C-N 3.31Å; Q181-A183 PolarHBondContact O-N 2.97Å; Q181-S184 WeakPolarHBondContact CB-OG 3.37Å; Q181-S184 PolarHBondContact O-N 3.18Å; Q181-S184 PolarHBondContact O-OG 3.22Å; Q181-A185 WeakPolarHBondContact O-CB 3.46Å; Q181-A185 PolarHBondContact O-N 3.1Å
182M83.7Confident87.3Confident80 Ų8045.2 Ų45.239%0.39424%0.236SC..Hα-helixtrans-59.4-38.6-173-61.4-56.8-165.600113.3L177 K180 F186 M209L177-M182 HydrophobicContact CD2-SD 3.74Å; K180-M182 VanDerWaalsContact C-N 3.32Å; K180-M182 PolarHBondContact O-N 3.21Å; K180-M182 VanDerWaalsContact O-N 3.11Å; M182-F186 WeakPolarHBondContact O-CB 2.98Å; M182-F186 PolarHBondContact O-N 3.38Å; M182-M209 HydrophobicContact CB-CE 4.43Å; M182-M209 WeakPolarHBondContact O-CE 3.33Å; M182-M209 HydrophobicContact SD-CE 4.37Å
183A82.9Confident86.9Confident87 Ų8745.3 Ų45.372%0.71924%0.237SC*.Hα-helixtrans-65.3-44.1-178.800000112.7Q181 H187Q181-A183 VanDerWaalsContact C-N 3.31Å; Q181-A183 PolarHBondContact O-N 2.97Å; A183-H187 PolarHBondContact O-N 3.17Å; A183-H187 VanDerWaalsContact O-N 3.16Å
184S87.5Confident86.5Confident30 Ų3051.5 Ų51.521%0.2127%0.265CS..Hα-helixtrans-72.7-39.6177.753.90000111.6H176 Q181 F186 H187 F188H176-S184 VanDerWaalsContact CG-OG 3.29Å; H176-S184 PolarHBondContact ND1-OG 2.99Å; Q181-S184 WeakPolarHBondContact CB-OG 3.37Å; Q181-S184 PolarHBondContact O-N 3.18Å; Q181-S184 PolarHBondContact O-OG 3.22Å; S184-F186 VanDerWaalsContact C-N 3.29Å; S184-F186 PolarHBondContact O-N 3.25Å; S184-H187 WeakPolarHBondContact O-CB 3.39Å; S184-H187 PolarHBondContact O-N 3Å; S184-F188 WeakPolarHBondContact O-CD2 3.23Å; S184-F188 PolarHBondContact O-N 3.31Å
185A87.8Confident86Confident0 Ų054.2 Ų54.20%028%0.276CS..Hα-helixtrans-55.2-46.3173.200000111.5H176 L177 Q181 H187 F188 L189 M209H176-A185 HydrophobicContact CB-CB 3.81Å; L177-A185 HydrophobicContact CD2-CB 3.6Å; L177-A185 HydrophobicContact CG-CB 3.7Å; Q181-A185 WeakPolarHBondContact O-CB 3.46Å; Q181-A185 PolarHBondContact O-N 3.1Å; A185-H187 VanDerWaalsContact C-N 3.34Å; A185-H187 PolarHBondContact O-N 3.08Å; A185-F188 PolarHBondContact O-N 3.31Å; A185-L189 WeakPolarHBondContact O-CB 3.35Å; A185-L189 VanDerWaalsContact O-CG 3.28Å; A185-L189 WeakPolarHBondContact O-CG 3.42Å; A185-L189 PolarHBondContact O-N 2.97Å; A185-M209 HydrophobicContact CB-CE 3.62Å; A185-M209 HydrophobicContact CB-SD 4.33Å
186F85.9Confident85.1Confident64 Ų6456.1 Ų56.128%0.28129%0.286SS..Hα-helixtrans-62.5-43.1178.6178.8-97.1000111.4M182 S184 F188 S190 L206 M209 H210M182-F186 WeakPolarHBondContact O-CB 2.98Å; M182-F186 PolarHBondContact O-N 3.38Å; S184-F186 VanDerWaalsContact C-N 3.29Å; S184-F186 PolarHBondContact O-N 3.25Å; F186-F188 PolarHBondContact O-N 3.34Å; F186-S190 WeakPolarHBondContact O-CB 3.19Å; F186-S190 PolarHBondContact O-N 3.43Å; F186-S190 PolarHBondContact O-OG 3.42Å; F186-L206 HydrophobicContact CD2-CD2 3.71Å; F186-L206 HydrophobicContact CE2-CD2 4.01Å; F186-M209 HydrophobicContact CB-CE 3.84Å; F186-H210 AromaticContact CD2-NE2 3.7Å; F186-H210 AromaticContact CE2-NE2 3.15Å; F186-H210 WeakPolarHBondContact CE2-NE2 3.33Å; F186-H210 AromaticContact CZ-NE2 3.97Å
187H87.1Confident83.7Confident123 Ų12358 Ų5857%0.56930%0.302SS*.Hα-helixtrans-59.1-48.4177.7-173.864.5000112.2A183 S184 A185 S190 A191A183-H187 PolarHBondContact O-N 3.17Å; A183-H187 VanDerWaalsContact O-N 3.16Å; S184-H187 WeakPolarHBondContact O-CB 3.39Å; S184-H187 PolarHBondContact O-N 3Å; A185-H187 VanDerWaalsContact C-N 3.34Å; A185-H187 PolarHBondContact O-N 3.08Å; H187-S190 PolarHBondContact O-OG 2.94Å; H187-A191 WeakPolarHBondContact O-CB 3.45Å; H187-A191 PolarHBondContact O-N 3.48Å; H187-A191 VanDerWaalsContact O-N 3.09Å
188F88.7Confident82.6Confident32 Ų3258.9 Ų58.914%0.1431%0.312CS..Hα-helixtrans-72.1-39.8-178.9-67.8-61.9000113.2L169 L172 H176 S184 A185 F186 A191 A192L169-F188 HydrophobicContact CD2-CD1 3.8Å; L172-F188 HydrophobicContact CB-CB 4.24Å; L172-F188 HydrophobicContact CB-CD1 4.35Å; L172-F188 HydrophobicContact CB-CD2 4.2Å; L172-F188 HydrophobicContact CB-CG 4.02Å; L172-F188 HydrophobicContact CD1-CD1 4.14Å; L172-F188 HydrophobicContact CD1-CE1 4.08Å; L172-F188 HydrophobicContact CD1-CZ 4.5Å; H176-F188 AromaticContact CD2-CD2 3.5Å; H176-F188 VanDerWaalsContact CD2-CD2 3.5Å; H176-F188 WeakPolarHBondContact CD2-CD2 3.29Å; H176-F188 AromaticContact CD2-CE2 3.52Å; H176-F188 AromaticContact NE2-CD2 3.91Å; H176-F188 AromaticContact NE2-CE2 3.39Å; H176-F188 WeakPolarHBondContact NE2-CE2 3.4Å; S184-F188 WeakPolarHBondContact O-CD2 3.23Å; S184-F188 PolarHBondContact O-N 3.31Å; A185-F188 PolarHBondContact O-N 3.31Å; F186-F188 PolarHBondContact O-N 3.34Å; F188-A191 PolarHBondContact O-N 3.34Å; F188-A192 WeakPolarHBondContact O-CB 3.33Å; F188-A192 PolarHBondContact O-N 2.98Å
189L86.4Confident81.6Confident0 Ų054.7 Ų54.70%030%0.295CS..Hα-helixtrans-68.7-39.4177.8-69.7169.3000112.1Y170 L177 A185 A191 A192 L193 L202 I205 L206 M209Y170-L189 HydrophobicContact CD2-CD2 3.77Å; Y170-L189 HydrophobicContact CE2-CD2 4.28Å; L177-L189 HydrophobicContact CD1-CD1 4.07Å; A185-L189 WeakPolarHBondContact O-CB 3.35Å; A185-L189 VanDerWaalsContact O-CG 3.28Å; A185-L189 WeakPolarHBondContact O-CG 3.42Å; A185-L189 PolarHBondContact O-N 2.97Å; L189-A191 VanDerWaalsContact C-N 3.32Å; L189-A191 PolarHBondContact O-N 2.73Å; L189-A192 WeakPolarHBondContact O-CB 3.32Å; L189-A192 PolarHBondContact O-N 3.49Å; L189-L193 PolarHBondContact O-N 3.42Å; L189-L202 HydrophobicContact CD2-CD2 3.87Å; L189-I205 HydrophobicContact CD1-CG2 3.55Å; L189-L206 HydrophobicContact CB-CD2 3.64Å; L189-L206 HydrophobicContact CB-CG 4.15Å; L189-L206 HydrophobicContact CD1-CD2 4.34Å; L189-M209 HydrophobicContact CD1-SD 3.58Å; L189-M209 VanDerWaalsContact CD1-SD 3.58Å
190S83.8Confident80.7Confident16 Ų1656 Ų5611%0.11230%0.304CS..Hα-helixtrans-65.7-35.4174.663.10000111.9F186 H187 L193 Q194F186-S190 WeakPolarHBondContact O-CB 3.19Å; F186-S190 PolarHBondContact O-N 3.43Å; F186-S190 PolarHBondContact O-OG 3.42Å; H187-S190 PolarHBondContact O-OG 2.94Å; S190-L193 PolarHBondContact O-N 2.96Å; S190-Q194 PolarHBondContact O-N 2.97Å
191A86.7Confident80.1Confident19 Ų1952.1 Ų52.116%0.15729%0.291CS..Hα-helixtrans-67.3-42.7171.200000112.3L169 H187 F188 L189 L193 Q194 F195L169-A191 HydrophobicContact CD1-CB 4.07Å; L169-A191 HydrophobicContact CD2-CB 4.36Å; H187-A191 WeakPolarHBondContact O-CB 3.45Å; H187-A191 PolarHBondContact O-N 3.48Å; H187-A191 VanDerWaalsContact O-N 3.09Å; F188-A191 PolarHBondContact O-N 3.34Å; L189-A191 VanDerWaalsContact C-N 3.32Å; L189-A191 PolarHBondContact O-N 2.73Å; A191-L193 PolarHBondContact O-N 3.49Å; A191-Q194 WeakPolarHBondContact O-CB 3.43Å; A191-Q194 PolarHBondContact O-N 3Å; A191-F195 VanDerWaalsContact O-CD2 3.29Å; A191-F195 WeakPolarHBondContact O-CD2 3.47Å
192A86.1Confident79.5Confident0 Ų048 Ų480%027%0.273CS..Hα-helixtrans-57-40.2175.300000111.7L169 F188 L189 Q194 F195 N196 L202L169-A192 HydrophobicContact CB-CB 3.77Å; F188-A192 WeakPolarHBondContact O-CB 3.33Å; F188-A192 PolarHBondContact O-N 2.98Å; L189-A192 WeakPolarHBondContact O-CB 3.32Å; L189-A192 PolarHBondContact O-N 3.49Å; A192-Q194 VanDerWaalsContact C-N 3.26Å; A192-Q194 PolarHBondContact O-N 3.34Å; A192-F195 PolarHBondContact O-N 3.12Å; A192-N196 PolarHBondContact O-N 3.27Å; A192-L202 HydrophobicContact CB-CD1 4.32Å; A192-L202 HydrophobicContact CB-CD2 4.11Å
193L82.2Confident78.9Confident1 Ų144.3 Ų44.31%0.00525%0.254CS..Hα-helixtrans-65.1-26.8176.5-16097.3000113.4L189 S190 A191 F195 N196 L202 Y203 W222L189-L193 PolarHBondContact O-N 3.42Å; S190-L193 PolarHBondContact O-N 2.96Å; A191-L193 PolarHBondContact O-N 3.49Å; L193-F195 VanDerWaalsContact C-N 3.31Å; L193-N196 CarbonylContact O-C 3.36Å; L193-L202 HydrophobicContact CD1-CB 3.63Å; L193-L202 HydrophobicContact CD1-CD1 4.09Å; L193-L202 HydrophobicContact CD1-CG 4.48Å; L193-Y203 HydrophobicContact CD1-CD1 4.07Å; L193-Y203 HydrophobicContact CD1-CD2 4.08Å; L193-Y203 HydrophobicContact CD1-CE1 3.76Å; L193-Y203 HydrophobicContact CD1-CE2 3.78Å; L193-Y203 HydrophobicContact CD1-CG 4.23Å; L193-Y203 HydrophobicContact CD2-CD1 4.42Å; L193-Y203 HydrophobicContact CD2-CE1 3.55Å; L193-Y203 HydrophobicContact CG-CE1 4.25Å; L193-W222 HydrophobicContact CB-CH2 4.33Å; L193-W222 HydrophobicContact CD2-CH2 3.18Å; L193-W222 HydrophobicContact CD2-CZ2 3.79Å; L193-W222 HydrophobicContact CD2-CZ3 3.97Å; L193-W222 HydrophobicContact CG-CH2 4.18Å
194Q81.6Confident78.4Confident130 Ų13043.3 Ų43.361%0.60724%0.239SC*.Hα-helixtrans-68.2-34.8176.2-65.8178.68.800111.8S190 A191 A192S190-Q194 PolarHBondContact O-N 2.97Å; A191-Q194 WeakPolarHBondContact O-CB 3.43Å; A191-Q194 PolarHBondContact O-N 3Å; A192-Q194 VanDerWaalsContact C-N 3.26Å; A192-Q194 PolarHBondContact O-N 3.34Å
195F78.6Confident77.9Confident98 Ų9843.3 Ų43.343%0.4324%0.236SC..Hα-helixtrans-90-29.8-178-66-66.2000113.2L164 W166 L169 A191 A192 L193L164-F195 HydrophobicContact CD2-CD1 4.46Å; L164-F195 HydrophobicContact CD2-CE1 3.54Å; L164-F195 HydrophobicContact CD2-CZ 3.78Å; W166-F195 HydrophobicContact CB-CB 3.76Å; L169-F195 HydrophobicContact CD1-CD2 3.67Å; L169-F195 HydrophobicContact CD1-CE2 3.84Å; A191-F195 VanDerWaalsContact O-CD2 3.29Å; A191-F195 WeakPolarHBondContact O-CD2 3.47Å; A192-F195 PolarHBondContact O-N 3.12Å; L193-F195 VanDerWaalsContact C-N 3.31Å
196N71.2Confident77.4Confident40 Ų4043.3 Ų43.321%0.21424%0.236CC..  trans-132.292.4171.5-170.67000111.6W166 A192 L193 S198W166-N196 HydrophobicContact CB-CB 4.1Å; W166-N196 HydrophobicContact CD2-CB 3.55Å; W166-N196 HydrophobicContact CE3-CB 4.12Å; W166-N196 HydrophobicContact CG-CB 3.52Å; W166-N196 WeakPolarHBondContact CZ2-ND2 3.36Å; A192-N196 PolarHBondContact O-N 3.27Å; L193-N196 CarbonylContact O-C 3.36Å; N196-S198 PolarHBondContact O-N 3.23Å; N196-S198 PolarHBondContact OD1-N 2.9Å
197A61.5Low76.7Confident44 Ų4440.4 Ų40.436%0.36422%0.224SC..THydrogen-bonded Turntrans-75.6-3.3-178.500000114.2N235A197-N235 PolarHBondContact O-ND2 3.45Å
198S63.5Low76.2Confident63 Ų6336 Ų3644%0.44121%0.211SC..THydrogen-bonded Turntrans-102.6-1.6-169.1-160.60000114.9N196 P200N196-S198 PolarHBondContact O-N 3.23Å; N196-S198 PolarHBondContact OD1-N 2.9Å; S198-P200 VanDerWaalsContact O-CD 3.25Å; S198-P200 WeakPolarHBondContact O-CD 3.49Å
199S67.7Low75.5Confident24 Ų2435.1 Ų35.117%0.16821%0.208CC..  trans-88.3112179.6-1760000111L201 L202 Y203S199-L201 PolarHBondContact O-N 3.39Å; S199-L202 PolarHBondContact O-N 2.88Å; S199-Y203 WeakPolarHBondContact O-CD2 3.18Å
200P69.9Low74.6Confident68 Ų6836.2 Ų36.244%0.44221%0.213SC..Hα-helixtrans-61.3-30.7175.8-21.735000112S198 L202 Y203 V204 F238S198-P200 VanDerWaalsContact O-CD 3.25Å; S198-P200 WeakPolarHBondContact O-CD 3.49Å; P200-L202 VanDerWaalsContact C-N 3.31Å; P200-L202 PolarHBondContact O-N 3.39Å; P200-Y203 PolarHBondContact O-N 3.22Å; P200-Y203 VanDerWaalsContact O-N 3.12Å; P200-V204 PolarHBondContact O-N 2.98Å; P200-V204 VanDerWaalsContact O-N 3.14Å; P200-F238 HydrophobicContact CB-CD2 4.24Å; P200-F238 HydrophobicContact CB-CE2 4.31Å
201L72.2Confident73.8Confident90 Ų9039.2 Ų39.247%0.47123%0.234SC..Hα-helixtrans-60.1-39.1-178.5-173.463.4000112.4Y170 S199 Y203 V204 I205Y170-L201 WeakPolarHBondContact OH-CD2 3.48Å; S199-L201 PolarHBondContact O-N 3.39Å; L201-Y203 VanDerWaalsContact C-N 3.31Å; L201-Y203 PolarHBondContact O-N 3.48Å; L201-V204 PolarHBondContact O-N 3.01Å; L201-I205 HydrophobicContact CD1-CD1 4.39Å; L201-I205 HydrophobicContact CG-CD1 4Å; L201-I205 WeakPolarHBondContact O-CD1 3.49Å; L201-I205 WeakPolarHBondContact O-CG1 3.15Å; L201-I205 PolarHBondContact O-N 3.14Å
202L73.9Confident72.8Confident0 Ų044.2 Ų44.20%026%0.258CS..Hα-helixtrans-61.1-40.5176.4-80.2171.7000112W166 Y170 L189 A192 L193 S199 P200 I205 L206W166-L202 HydrophobicContact CE3-CD1 4.48Å; Y170-L202 HydrophobicContact CD2-CD2 3.38Å; Y170-L202 HydrophobicContact CD2-CG 4.26Å; Y170-L202 HydrophobicContact CE2-CD2 3.93Å; Y170-L202 HydrophobicContact CG-CD2 4.37Å; L189-L202 HydrophobicContact CD2-CD2 3.87Å; A192-L202 HydrophobicContact CB-CD1 4.32Å; A192-L202 HydrophobicContact CB-CD2 4.11Å; L193-L202 HydrophobicContact CD1-CB 3.63Å; L193-L202 HydrophobicContact CD1-CD1 4.09Å; L193-L202 HydrophobicContact CD1-CG 4.48Å; S199-L202 PolarHBondContact O-N 2.88Å; P200-L202 VanDerWaalsContact C-N 3.31Å; P200-L202 PolarHBondContact O-N 3.39Å; L202-I205 PolarHBondContact O-N 3.24Å; L202-L206 WeakPolarHBondContact O-CG 3.36Å; L202-L206 PolarHBondContact O-N 3.16Å
203Y72.2Confident71.6Confident2 Ų246.4 Ų46.41%0.00828%0.276CS..Hα-helixtrans-68.6-39.8178.1-67.6-76.2000112.2L193 S199 P200 L201 I205 L206 A207 W222 L223 F238 F239L193-Y203 HydrophobicContact CD1-CD1 4.07Å; L193-Y203 HydrophobicContact CD1-CD2 4.08Å; L193-Y203 HydrophobicContact CD1-CE1 3.76Å; L193-Y203 HydrophobicContact CD1-CE2 3.78Å; L193-Y203 HydrophobicContact CD1-CG 4.23Å; L193-Y203 HydrophobicContact CD2-CD1 4.42Å; L193-Y203 HydrophobicContact CD2-CE1 3.55Å; L193-Y203 HydrophobicContact CG-CE1 4.25Å; S199-Y203 WeakPolarHBondContact O-CD2 3.18Å; P200-Y203 PolarHBondContact O-N 3.22Å; P200-Y203 VanDerWaalsContact O-N 3.12Å; L201-Y203 VanDerWaalsContact C-N 3.31Å; L201-Y203 PolarHBondContact O-N 3.48Å; Y203-I205 VanDerWaalsContact C-N 3.34Å; Y203-I205 PolarHBondContact O-N 2.98Å; Y203-L206 PolarHBondContact O-N 3.22Å; Y203-A207 VanDerWaalsContact O-CB 3.27Å; Y203-A207 WeakPolarHBondContact O-CB 3.49Å; Y203-A207 PolarHBondContact O-N 3.44Å; Y203-W222 HydrophobicContact CD1-CZ3 4.37Å; Y203-W222 HydrophobicContact CE1-CZ3 4.3Å; Y203-L223 HydrophobicContact CD1-CD2 3.84Å; Y203-L223 HydrophobicContact CE1-CD2 4.17Å; Y203-F238 HydrophobicContact CG-CE1 4.1Å; Y203-F239 AromaticContact CD1-CE1 3.61Å; Y203-F239 HydrophobicContact CD1-CE1 3.61Å; Y203-F239 HydrophobicContact CD1-CZ 4.08Å; Y203-F239 AromaticContact CE1-CE1 3.39Å; Y203-F239 HydrophobicContact CE1-CE1 3.39Å; Y203-F239 AromaticContact CE1-CZ 3.4Å; Y203-F239 HydrophobicContact CE1-CZ 3.4Å; Y203-F239 VanDerWaalsContact CE1-CZ 3.4Å; Y203-F239 HydrophobicContact CE2-CE1 4.47Å; Y203-F239 HydrophobicContact CE2-CZ 4.13Å; Y203-F239 HydrophobicContact CG-CE1 4.24Å; Y203-F239 AromaticContact CZ-CE1 3.87Å; Y203-F239 AromaticContact CZ-CZ 3.43Å; Y203-F239 VanDerWaalsContact CZ-CZ 3.43Å
204V73.1Confident70.4Confident65 Ų6552 Ų5239%0.39432%0.315SS..Hα-helixtrans-60.3-45.2175.7176.60000110.8P200 L201 A207 G208 F238 F242P200-V204 PolarHBondContact O-N 2.98Å; P200-V204 VanDerWaalsContact O-N 3.14Å; L201-V204 PolarHBondContact O-N 3.01Å; V204-A207 WeakPolarHBondContact O-CB 3.18Å; V204-A207 PolarHBondContact O-N 3.43Å; V204-G208 PolarHBondContact O-N 2.85Å; V204-F238 HydrophobicContact CG2-CE2 3.67Å; V204-F238 HydrophobicContact CG2-CZ 3.52Å; V204-F242 HydrophobicContact CG2-CE2 4.33Å
205I76Confident69.2Low31 Ų3153.3 Ų53.316%0.15932%0.315CS..Hα-helixtrans-65.6-48.4-179-66.1160.1000110.5Y170 L174 L177 L189 L201 L202 Y203 A207 G208 M209Y170-I205 HydrophobicContact CE2-CD1 3.52Å; L174-I205 HydrophobicContact CD2-CD1 3.99Å; L177-I205 HydrophobicContact CD1-CG2 3.56Å; L189-I205 HydrophobicContact CD1-CG2 3.55Å; L201-I205 HydrophobicContact CD1-CD1 4.39Å; L201-I205 HydrophobicContact CG-CD1 4Å; L201-I205 WeakPolarHBondContact O-CD1 3.49Å; L201-I205 WeakPolarHBondContact O-CG1 3.15Å; L201-I205 PolarHBondContact O-N 3.14Å; L202-I205 PolarHBondContact O-N 3.24Å; Y203-I205 VanDerWaalsContact C-N 3.34Å; Y203-I205 PolarHBondContact O-N 2.98Å; I205-A207 VanDerWaalsContact C-N 3.25Å; I205-A207 PolarHBondContact O-N 3.4Å; I205-G208 PolarHBondContact O-N 3.49Å; I205-M209 WeakPolarHBondContact O-CG 3.29Å; I205-M209 PolarHBondContact O-N 3.06Å
206L77.5Confident68.2Low0 Ų051.6 Ų51.60%031%0.313CS..Hα-helixtrans-60-38.6177.5-73.9172.2000111.7F186 L189 L202 Y203 M209 H210 F219 W222F186-L206 HydrophobicContact CD2-CD2 3.71Å; F186-L206 HydrophobicContact CE2-CD2 4.01Å; L189-L206 HydrophobicContact CB-CD2 3.64Å; L189-L206 HydrophobicContact CB-CG 4.15Å; L189-L206 HydrophobicContact CD1-CD2 4.34Å; L202-L206 WeakPolarHBondContact O-CG 3.36Å; L202-L206 PolarHBondContact O-N 3.16Å; Y203-L206 PolarHBondContact O-N 3.22Å; L206-M209 HydrophobicContact CD2-SD 4.26Å; L206-M209 WeakPolarHBondContact O-CB 3.38Å; L206-M209 PolarHBondContact O-N 2.99Å; L206-H210 PolarHBondContact O-CD2 2.82Å; L206-H210 PolarHBondContact O-N 3.17Å; L206-F219 HydrophobicContact CB-CD2 4.48Å; L206-F219 HydrophobicContact CB-CE2 3.68Å; L206-F219 HydrophobicContact CB-CZ 4.35Å; L206-W222 HydrophobicContact CD1-CH2 3.49Å; L206-W222 VanDerWaalsContact CD1-CH2 3.49Å; L206-W222 HydrophobicContact CD1-CZ2 4.38Å; L206-W222 HydrophobicContact CD1-CZ3 3.86Å
207A72.1Confident67.6Low2 Ų257.3 Ų57.32%0.01734%0.339CS..Hα-helixtrans-63.7-44.4175.300000113.4Y203 V204 I205 M209 H210 S211 F219 F242Y203-A207 VanDerWaalsContact O-CB 3.27Å; Y203-A207 WeakPolarHBondContact O-CB 3.49Å; Y203-A207 PolarHBondContact O-N 3.44Å; V204-A207 WeakPolarHBondContact O-CB 3.18Å; V204-A207 PolarHBondContact O-N 3.43Å; I205-A207 VanDerWaalsContact C-N 3.25Å; I205-A207 PolarHBondContact O-N 3.4Å; A207-M209 VanDerWaalsContact C-N 3.29Å; A207-M209 PolarHBondContact O-N 3.03Å; A207-H210 CarbonylContact O-C 3.59Å; A207-H210 PolarHBondContact O-N 3.11Å; A207-S211 PolarHBondContact O-N 3.35Å; A207-F219 VanDerWaalsContact CA-CE1 3.46Å; A207-F219 VanDerWaalsContact CA-CZ 3.44Å; A207-F219 HydrophobicContact CB-CD1 4.25Å; A207-F219 HydrophobicContact CB-CE1 3.35Å; A207-F219 HydrophobicContact CB-CE2 4.46Å; A207-F219 HydrophobicContact CB-CZ 3.49Å; A207-F219 VanDerWaalsContact CB-CZ 3.49Å; A207-F242 HydrophobicContact CB-CD1 4.05Å; A207-F242 HydrophobicContact CB-CE1 3.08Å; A207-F242 HydrophobicContact CB-CE2 4.07Å; A207-F242 HydrophobicContact CB-CZ 3.08Å
208G75.9Confident67.7Low30 Ų3062.4 Ų62.431%0.30935%0.35SS..Hα-helixtrans-61.1-37.8175.900000112.4V204 I205 H210 S211 D212V204-G208 PolarHBondContact O-N 2.85Å; I205-G208 PolarHBondContact O-N 3.49Å; G208-H210 PolarHBondContact O-N 2.69Å; G208-S211 WeakPolarHBondContact CA-OG 3.23Å; G208-S211 PolarHBondContact O-N 2.85Å; G208-S211 PolarHBondContact O-OG 3.38Å; G208-D212 PolarHBondContact O-N 3.07Å
209M72.8Confident67.6Low14 Ų1459.5 Ų59.57%0.06933%0.329CS..Hα-helixtrans-61.7-32.4173.5-66.2-179.269.500113L177 M182 A185 F186 L189 I205 L206 A207 A213L177-M209 HydrophobicContact CD1-SD 4.38Å; L177-M209 HydrophobicContact CD2-CE 3.68Å; L177-M209 HydrophobicContact CD2-CG 3.74Å; L177-M209 HydrophobicContact CD2-SD 3.75Å; L177-M209 HydrophobicContact CG-SD 4.48Å; M182-M209 HydrophobicContact CB-CE 4.43Å; M182-M209 WeakPolarHBondContact O-CE 3.33Å; M182-M209 HydrophobicContact SD-CE 4.37Å; A185-M209 HydrophobicContact CB-CE 3.62Å; A185-M209 HydrophobicContact CB-SD 4.33Å; F186-M209 HydrophobicContact CB-CE 3.84Å; L189-M209 HydrophobicContact CD1-SD 3.58Å; L189-M209 VanDerWaalsContact CD1-SD 3.58Å; I205-M209 WeakPolarHBondContact O-CG 3.29Å; I205-M209 PolarHBondContact O-N 3.06Å; L206-M209 HydrophobicContact CD2-SD 4.26Å; L206-M209 WeakPolarHBondContact O-CB 3.38Å; L206-M209 PolarHBondContact O-N 2.99Å; A207-M209 VanDerWaalsContact C-N 3.29Å; A207-M209 PolarHBondContact O-N 3.03Å; M209-A213 WeakPolarHBondContact O-CB 3.39Å; M209-A213 PolarHBondContact O-N 3.34Å
210H68.9Low67.3Low23 Ų2360.3 Ų60.311%0.10633%0.331CS..Hα-helixtrans-89-16-179.7-80.8-77.3000114.4F186 L206 A207 G208 F219F186-H210 AromaticContact CD2-NE2 3.7Å; F186-H210 AromaticContact CE2-NE2 3.15Å; F186-H210 WeakPolarHBondContact CE2-NE2 3.33Å; F186-H210 AromaticContact CZ-NE2 3.97Å; L206-H210 PolarHBondContact O-CD2 2.82Å; L206-H210 PolarHBondContact O-N 3.17Å; A207-H210 CarbonylContact O-C 3.59Å; A207-H210 PolarHBondContact O-N 3.11Å; G208-H210 PolarHBondContact O-N 2.69Å; H210-F219 HydrophobicContact CB-CB 3.68Å; H210-F219 HydrophobicContact CB-CD1 4.49Å; H210-F219 HydrophobicContact CB-CD2 4.49Å; H210-F219 HydrophobicContact CB-CG 3.98Å; H210-F219 VanDerWaalsContact CD2-CB 3.45Å; H210-F219 WeakPolarHBondContact CD2-CB 3.41Å; H210-F219 AromaticContact CD2-CD2 3.26Å; H210-F219 WeakPolarHBondContact CD2-CD2 3.28Å; H210-F219 AromaticContact CD2-CG 3.54Å; H210-F219 VanDerWaalsContact CG-CB 3.46Å; H210-F219 AromaticContact CG-CG 3.9Å; H210-F219 AromaticContact NE2-CD2 3.78Å
211S67.2Low67.1Low79 Ų7964.3 Ų64.355%0.55234%0.339SS*.Hα-helixtrans-73.2-35.3165.355.90000111.1A207 G208A207-S211 PolarHBondContact O-N 3.35Å; G208-S211 WeakPolarHBondContact CA-OG 3.23Å; G208-S211 PolarHBondContact O-N 2.85Å; G208-S211 PolarHBondContact O-OG 3.38Å
212D65.3Low66.8Low125 Ų12562 Ų6267%0.66832%0.324SS*.Hα-helixtrans-78.6-34.9178.2-69.7-6.5000112.2G208G208-D212 PolarHBondContact O-N 3.07Å
213A60.3Low66.4Low46 Ų4662.5 Ų62.538%0.3833%0.326SS..SBendtrans-77.9130170.900000109.6M209 R215M209-A213 WeakPolarHBondContact O-CB 3.39Å; M209-A213 PolarHBondContact O-N 3.34Å; A213-R215 PolarHBondContact O-N 2.95Å
214S57.6Low66Low118 Ų11865.8 Ų65.883%0.82534%0.344SS*.SBendtrans-62.624.5-178.747.40000116.2
215R55.6Low65.7Low157 Ų15767.6 Ų67.659%0.59235%0.348SS*.  trans-14270.6-178.1-57.5-173.3-178.1-172.90.2112.4A213 Q217 Y218A213-R215 PolarHBondContact O-N 2.95Å; R215-Q217 PolarHBondContact O-N 3.48Å; R215-Y218 HydrophobicContact CB-CD2 4.06Å
216P58.7Low65.1Low62 Ų6268.9 Ų68.940%0.40335%0.353SS..Hα-helixtrans-64.8-19.6176.125.4-34.4000113.5Y218 F219 L220P216-Y218 PolarHBondContact O-N 3.2Å; P216-F219 PolarHBondContact O-N 3.47Å; P216-L220 PolarHBondContact O-N 3.15Å
217Q58.8Low64.1Low160 Ų16071.5 Ų71.575%0.74837%0.371SS*.Hα-helixtrans-65.7-35.7-176.1-64.3176.16.100113.2R215 F219 L220 Y221R215-Q217 PolarHBondContact O-N 3.48Å; Q217-F219 VanDerWaalsContact C-N 3.33Å; Q217-F219 PolarHBondContact O-N 3.17Å; Q217-L220 PolarHBondContact O-N 3.46Å; Q217-Y221 WeakPolarHBondContact O-CB 3.37Å; Q217-Y221 PolarHBondContact O-N 3.01Å
218Y61.9Low63.3Low151 Ų15175.5 Ų75.559%0.59240%0.399SS*.Hα-helixtrans-67.7-35.5177.7-79-77000112R215 P216 Y221 W222R215-Y218 HydrophobicContact CB-CD2 4.06Å; P216-Y218 PolarHBondContact O-N 3.2Å; Y218-Y221 PolarHBondContact O-N 2.67Å; Y218-W222 VanDerWaalsContact O-CB 3.24Å; Y218-W222 WeakPolarHBondContact O-CB 3.34Å; Y218-W222 PolarHBondContact O-N 3.17Å
219F62.2Low62.2Low3 Ų379.1 Ų79.11%0.01341%0.411CS..Hα-helixtrans-66.4-46.6175.9-172.4-120.1000111.7L206 A207 H210 P216 Q217 Y221 W222 L223 F242 L246L206-F219 HydrophobicContact CB-CD2 4.48Å; L206-F219 HydrophobicContact CB-CE2 3.68Å; L206-F219 HydrophobicContact CB-CZ 4.35Å; A207-F219 VanDerWaalsContact CA-CE1 3.46Å; A207-F219 VanDerWaalsContact CA-CZ 3.44Å; A207-F219 HydrophobicContact CB-CD1 4.25Å; A207-F219 HydrophobicContact CB-CE1 3.35Å; A207-F219 HydrophobicContact CB-CE2 4.46Å; A207-F219 HydrophobicContact CB-CZ 3.49Å; A207-F219 VanDerWaalsContact CB-CZ 3.49Å; H210-F219 HydrophobicContact CB-CB 3.68Å; H210-F219 HydrophobicContact CB-CD1 4.49Å; H210-F219 HydrophobicContact CB-CD2 4.49Å; H210-F219 HydrophobicContact CB-CG 3.98Å; H210-F219 VanDerWaalsContact CD2-CB 3.45Å; H210-F219 WeakPolarHBondContact CD2-CB 3.41Å; H210-F219 AromaticContact CD2-CD2 3.26Å; H210-F219 WeakPolarHBondContact CD2-CD2 3.28Å; H210-F219 AromaticContact CD2-CG 3.54Å; H210-F219 VanDerWaalsContact CG-CB 3.46Å; H210-F219 AromaticContact CG-CG 3.9Å; H210-F219 AromaticContact NE2-CD2 3.78Å; P216-F219 PolarHBondContact O-N 3.47Å; Q217-F219 VanDerWaalsContact C-N 3.33Å; Q217-F219 PolarHBondContact O-N 3.17Å; F219-Y221 VanDerWaalsContact C-N 3.3Å; F219-Y221 PolarHBondContact O-N 3.43Å; F219-W222 HydrophobicContact CD2-CE3 4.39Å; F219-W222 HydrophobicContact CE2-CE3 4.22Å; F219-W222 HydrophobicContact CE2-CZ3 4.26Å; F219-W222 PolarHBondContact O-N 2.99Å; F219-L223 HydrophobicContact CD1-CD1 3.73Å; F219-L223 HydrophobicContact CD1-CG 4.14Å; F219-L223 HydrophobicContact CD2-CG 4.32Å; F219-L223 HydrophobicContact CE1-CD1 3.25Å; F219-L223 HydrophobicContact CE1-CD2 4.35Å; F219-L223 HydrophobicContact CE1-CG 3.8Å; F219-L223 HydrophobicContact CE2-CD1 4.35Å; F219-L223 HydrophobicContact CE2-CD2 4.1Å; F219-L223 HydrophobicContact CE2-CG 3.99Å; F219-L223 HydrophobicContact CG-CD1 4.45Å; F219-L223 HydrophobicContact CG-CG 4.39Å; F219-L223 HydrophobicContact CZ-CD1 3.61Å; F219-L223 HydrophobicContact CZ-CD2 3.83Å; F219-L223 HydrophobicContact CZ-CG 3.72Å; F219-L223 VanDerWaalsContact O-CB 3.31Å; F219-L223 WeakPolarHBondContact O-CB 3.42Å; F219-L223 VanDerWaalsContact O-CG 3.31Å; F219-L223 WeakPolarHBondContact O-CG 3.49Å; F219-L223 PolarHBondContact O-N 3.41Å; F219-F242 HydrophobicContact CE1-CD1 4.44Å; F219-F242 HydrophobicContact CE1-CE1 4.37Å; F219-L246 HydrophobicContact CD1-CD1 3.75Å; F219-L246 HydrophobicContact CE1-CD1 3.85Å
220L61.8Low61Low40 Ų4088.3 Ų88.321%0.20945%0.451CS..Hα-helixtrans-62.3-39.6177.2-69.3174.7000111.6P216 Q217 N224 L246P216-L220 PolarHBondContact O-N 3.15Å; Q217-L220 PolarHBondContact O-N 3.46Å; L220-N224 WeakPolarHBondContact O-CB 3.48Å; L220-N224 PolarHBondContact O-N 3.13Å; L220-N224 PolarHBondContact O-ND2 3.25Å; L220-N224 VanDerWaalsContact O-ND2 3.07Å; L220-L246 HydrophobicContact CD2-CB 4.38Å; L220-L246 HydrophobicContact CD2-CD1 3.86Å
221Y65.1Low59.9Low153 Ų15388.5 Ų88.560%0.645%0.453SS*.Hα-helixtrans-62-48.6173.4179.5-95.9000111.7Q217 Y218 F219 L223 N224 Q225Q217-Y221 WeakPolarHBondContact O-CB 3.37Å; Q217-Y221 PolarHBondContact O-N 3.01Å; Y218-Y221 PolarHBondContact O-N 2.67Å; F219-Y221 VanDerWaalsContact C-N 3.3Å; F219-Y221 PolarHBondContact O-N 3.43Å; Y221-L223 PolarHBondContact O-N 3.29Å; Y221-N224 PolarHBondContact O-N 3.4Å; Y221-Q225 PolarHBondContact O-N 2.89Å
222W65.9Low59.1Low42 Ų4287.5 Ų87.516%0.15945%0.446CS..Hα-helixtrans-62.8-41.9179.2-176.487.7000112.4L193 Y203 L206 Y218 F219 Q225 K226L193-W222 HydrophobicContact CB-CH2 4.33Å; L193-W222 HydrophobicContact CD2-CH2 3.18Å; L193-W222 HydrophobicContact CD2-CZ2 3.79Å; L193-W222 HydrophobicContact CD2-CZ3 3.97Å; L193-W222 HydrophobicContact CG-CH2 4.18Å; Y203-W222 HydrophobicContact CD1-CZ3 4.37Å; Y203-W222 HydrophobicContact CE1-CZ3 4.3Å; L206-W222 HydrophobicContact CD1-CH2 3.49Å; L206-W222 VanDerWaalsContact CD1-CH2 3.49Å; L206-W222 HydrophobicContact CD1-CZ2 4.38Å; L206-W222 HydrophobicContact CD1-CZ3 3.86Å; Y218-W222 VanDerWaalsContact O-CB 3.24Å; Y218-W222 WeakPolarHBondContact O-CB 3.34Å; Y218-W222 PolarHBondContact O-N 3.17Å; F219-W222 HydrophobicContact CD2-CE3 4.39Å; F219-W222 HydrophobicContact CE2-CE3 4.22Å; F219-W222 HydrophobicContact CE2-CZ3 4.26Å; F219-W222 PolarHBondContact O-N 2.99Å; W222-Q225 PolarHBondContact O-N 2.96Å; W222-K226 PolarHBondContact O-N 2.84Å; W222-K226 VanDerWaalsContact O-N 3.1Å
223L65Low58.4Low9 Ų986.1 Ų86.15%0.04745%0.446CS..Hα-helixtrans-60.3-45.9173.1-79-172.8000112Y203 F219 Y221 Q225 K226 S227 F239Y203-L223 HydrophobicContact CD1-CD2 3.84Å; Y203-L223 HydrophobicContact CE1-CD2 4.17Å; F219-L223 HydrophobicContact CD1-CD1 3.73Å; F219-L223 HydrophobicContact CD1-CG 4.14Å; F219-L223 HydrophobicContact CD2-CG 4.32Å; F219-L223 HydrophobicContact CE1-CD1 3.25Å; F219-L223 HydrophobicContact CE1-CD2 4.35Å; F219-L223 HydrophobicContact CE1-CG 3.8Å; F219-L223 HydrophobicContact CE2-CD1 4.35Å; F219-L223 HydrophobicContact CE2-CD2 4.1Å; F219-L223 HydrophobicContact CE2-CG 3.99Å; F219-L223 HydrophobicContact CG-CD1 4.45Å; F219-L223 HydrophobicContact CG-CG 4.39Å; F219-L223 HydrophobicContact CZ-CD1 3.61Å; F219-L223 HydrophobicContact CZ-CD2 3.83Å; F219-L223 HydrophobicContact CZ-CG 3.72Å; F219-L223 VanDerWaalsContact O-CB 3.31Å; F219-L223 WeakPolarHBondContact O-CB 3.42Å; F219-L223 VanDerWaalsContact O-CG 3.31Å; F219-L223 WeakPolarHBondContact O-CG 3.49Å; F219-L223 PolarHBondContact O-N 3.41Å; Y221-L223 PolarHBondContact O-N 3.29Å; L223-Q225 VanDerWaalsContact C-N 3.3Å; L223-Q225 PolarHBondContact O-N 3.33Å; L223-K226 PolarHBondContact O-N 3.43Å; L223-S227 PolarHBondContact O-N 3.19Å; L223-F239 HydrophobicContact CD2-CD1 3.84Å; L223-F239 HydrophobicContact CD2-CE1 3.45Å; L223-F239 VanDerWaalsContact CD2-CE1 3.45Å
224N64.5Low58Low71 Ų7190.7 Ų90.738%0.3846%0.46SS..Hα-helixtrans-64-34.8178.3-71.4-32.8000112.1L220 Y221 K226 S227 S228 K243L220-N224 WeakPolarHBondContact O-CB 3.48Å; L220-N224 PolarHBondContact O-N 3.13Å; L220-N224 PolarHBondContact O-ND2 3.25Å; L220-N224 VanDerWaalsContact O-ND2 3.07Å; Y221-N224 PolarHBondContact O-N 3.4Å; N224-K226 VanDerWaalsContact C-N 3.31Å; N224-S227 PolarHBondContact O-OG 3.27Å; N224-S227 VanDerWaalsContact O-OG 3.12Å; N224-S228 PolarHBondContact O-N 3.24Å; N224-S228 PolarHBondContact O-OG 3.28Å; N224-K243 PolarHBondContact OD1-NZ 3.28Å
225Q67.3Low57.8Low104 Ų10485.3 Ų85.349%0.48642%0.422SS..Hα-helixtrans-70.7-28.5176.3-165.3-178.233.100112.5Y221 W222 L223 S228 N229Y221-Q225 PolarHBondContact O-N 2.89Å; W222-Q225 PolarHBondContact O-N 2.96Å; L223-Q225 VanDerWaalsContact C-N 3.3Å; L223-Q225 PolarHBondContact O-N 3.33Å; Q225-S228 PolarHBondContact O-OG 2.92Å; Q225-N229 PolarHBondContact O-ND2 3.14Å
226K62Low57.9Low58 Ų5880.8 Ų80.825%0.25241%0.412SS..Hα-helixtrans-83.9-36.7176.4-80.1-73.7-174.8173.70112.7W222 L223 N224 S228 N229W222-K226 PolarHBondContact O-N 2.84Å; W222-K226 VanDerWaalsContact O-N 3.1Å; L223-K226 PolarHBondContact O-N 3.43Å; N224-K226 VanDerWaalsContact C-N 3.31Å; K226-S228 VanDerWaalsContact C-N 3.27Å; K226-S228 PolarHBondContact O-N 2.92Å; K226-N229 CarbonylContact O-C 3.37Å; K226-N229 WeakPolarHBondContact O-CA 3.35Å; K226-N229 PolarHBondContact O-N 3.4Å
227S58.1Low57.8Low54 Ų5482.9 Ų82.938%0.37842%0.419SS..Hα-helixtrans-65.1-30.6176.470.30000112.7L223 N224 N229L223-S227 PolarHBondContact O-N 3.19Å; N224-S227 PolarHBondContact O-OG 3.27Å; N224-S227 VanDerWaalsContact O-OG 3.12Å; S227-N229 PolarHBondContact O-N 3.38Å
228S55Low57.8Low87 Ų8777.4 Ų77.461%0.60839%0.393SS*.THydrogen-bonded Turntrans-71-20.5171.758.70000113.2N224 Q225 K226N224-S228 PolarHBondContact O-N 3.24Å; N224-S228 PolarHBondContact O-OG 3.28Å; Q225-S228 PolarHBondContact O-OG 2.92Å; K226-S228 VanDerWaalsContact C-N 3.27Å; K226-S228 PolarHBondContact O-N 2.92Å
229N53.1Low57.7Low106 Ų10671.1 Ų71.157%0.56737%0.369SS*.SBendtrans-109.278.7-176.3-77.5-27000110.9Q225 K226 S227Q225-N229 PolarHBondContact O-ND2 3.14Å; K226-N229 CarbonylContact O-C 3.37Å; K226-N229 WeakPolarHBondContact O-CA 3.35Å; K226-N229 PolarHBondContact O-N 3.4Å; S227-N229 PolarHBondContact O-N 3.38Å
230K46.1Very low57.7Low207 Ų20776.8 Ų76.890%0.940%0.395SS*.  trans53.665.5157.7-62.5-178176.1-179.70116.2
231T47.2Very low57.6Low26 Ų2680.5 Ų80.516%0.1642%0.415CS..  trans-110.3134.2164.656.80000110.9N235 F239T231-N235 HydrophobicContact CG2-CB 4.46Å; T231-F239 HydrophobicContact CG2-CE2 4.14Å; T231-F239 WeakPolarHBondContact OG1-CE2 3.45Å
232S49.9Very low57.3Low58 Ų5875 Ų7541%0.40639%0.394SS..  trans-43.4151.2173.543.40000112.6E234 N235 T236S232-E234 PolarHBondContact O-N 3.39Å; S232-N235 WeakPolarHBondContact O-CB 3.43Å; S232-N235 PolarHBondContact O-N 3.48Å; S232-T236 PolarHBondContact O-OG1 3.31Å
233S50.9Low57.1Low96 Ų9677.2 Ų77.267%0.67141%0.405SS*.Hα-helixtrans-49.8-27.8-17846.30000114.7T236S233-T236 PolarHBondContact O-N 2.83Å; S233-T236 PolarHBondContact O-OG1 3.07Å
234E51.5Low56.8Low143 Ų14383.3 Ų83.367%0.66843%0.433SS*.Hα-helixtrans-69.1-37.6177.8-64.2178166.100112.6S232 T236 F238S232-E234 PolarHBondContact O-N 3.39Å; E234-T236 VanDerWaalsContact C-N 3.33Å; E234-F238 PolarHBondContact O-N 3.42Å
235N54.3Low56.5Low4 Ų483.2 Ų83.22%0.02144%0.437CS..Hα-helixtrans-72.1-30.3178-74.7-12.1000111.5A197 T231 S232 L237 F238 F239A197-N235 PolarHBondContact O-ND2 3.45Å; T231-N235 HydrophobicContact CG2-CB 4.46Å; S232-N235 WeakPolarHBondContact O-CB 3.43Å; S232-N235 PolarHBondContact O-N 3.48Å; N235-L237 VanDerWaalsContact C-N 3.35Å; N235-L237 PolarHBondContact O-N 3.5Å; N235-F238 PolarHBondContact O-N 3.45Å; N235-F239 HydrophobicContact CB-CD2 4.24Å; N235-F239 HydrophobicContact CB-CE2 3.81Å; N235-F239 WeakPolarHBondContact O-CD2 3.47Å; N235-F239 VanDerWaalsContact O-CG 3.29Å; N235-F239 WeakPolarHBondContact O-CG 3.31Å; N235-F239 PolarHBondContact O-N 3.1Å
236T56.3Low55.8Low63 Ų6380.4 Ų80.439%0.38743%0.425SS..Hα-helixtrans-62.7-41.7179.6-31.20000112.1S232 S233 E234 F239 Q240S232-T236 PolarHBondContact O-OG1 3.31Å; S233-T236 PolarHBondContact O-N 2.83Å; S233-T236 PolarHBondContact O-OG1 3.07Å; E234-T236 VanDerWaalsContact C-N 3.33Å; T236-F239 PolarHBondContact O-N 3.09Å; T236-Q240 WeakPolarHBondContact O-CB 3.34Å; T236-Q240 WeakPolarHBondContact O-CG 3.45Å; T236-Q240 PolarHBondContact O-N 3.41Å
237L57Low55.5Low105 Ų10582.4 Ų82.455%0.5544%0.438SS..Hα-helixtrans-66.5-43.9175.5-111.1149.8000111.2N235 F239 Q240 L241N235-L237 VanDerWaalsContact C-N 3.35Å; N235-L237 PolarHBondContact O-N 3.5Å; L237-F239 PolarHBondContact O-N 2.95Å; L237-Q240 PolarHBondContact O-N 3.17Å; L237-L241 HydrophobicContact CD2-CD1 4.37Å; L237-L241 WeakPolarHBondContact O-CB 3.11Å; L237-L241 WeakPolarHBondContact O-CG 3.4Å; L237-L241 PolarHBondContact O-N 3.17Å
238F58.6Low54.7Low46 Ų4687 Ų8720%0.20245%0.453CS..Hα-helixtrans-58-48.1173-179.4-86.7000111P200 Y203 V204 E234 N235 Q240 L241 F242P200-F238 HydrophobicContact CB-CD2 4.24Å; P200-F238 HydrophobicContact CB-CE2 4.31Å; Y203-F238 HydrophobicContact CG-CE1 4.1Å; V204-F238 HydrophobicContact CG2-CE2 3.67Å; V204-F238 HydrophobicContact CG2-CZ 3.52Å; E234-F238 PolarHBondContact O-N 3.42Å; N235-F238 PolarHBondContact O-N 3.45Å; F238-Q240 VanDerWaalsContact C-N 3.35Å; F238-Q240 PolarHBondContact O-N 3.43Å; F238-L241 PolarHBondContact O-N 3.33Å; F238-F242 HydrophobicContact CD1-CB 4.47Å; F238-F242 HydrophobicContact CE1-CB 4.13Å; F238-F242 AromaticContact CE1-CD2 3.8Å; F238-F242 HydrophobicContact CE1-CD2 3.8Å; F238-F242 HydrophobicContact CE1-CG 4.1Å; F238-F242 HydrophobicContact CE2-CD2 4.03Å; F238-F242 HydrophobicContact CZ-CB 4.49Å; F238-F242 AromaticContact CZ-CD2 3.39Å; F238-F242 HydrophobicContact CZ-CD2 3.39Å; F238-F242 AromaticContact CZ-CE2 3.98Å; F238-F242 HydrophobicContact CZ-CE2 3.98Å; F238-F242 HydrophobicContact CZ-CG 4.16Å; F238-F242 WeakPolarHBondContact O-CB 3.43Å; F238-F242 PolarHBondContact O-N 2.77Å
239F60.5Low53.9Low18 Ų1887.6 Ų87.68%0.07946%0.455CS..Hα-helixtrans-61.7-39.7177.9-69.5-51.6000113Y203 L223 T231 N235 T236 L237 K243Y203-F239 AromaticContact CD1-CE1 3.61Å; Y203-F239 HydrophobicContact CD1-CE1 3.61Å; Y203-F239 HydrophobicContact CD1-CZ 4.08Å; Y203-F239 AromaticContact CE1-CE1 3.39Å; Y203-F239 HydrophobicContact CE1-CE1 3.39Å; Y203-F239 AromaticContact CE1-CZ 3.4Å; Y203-F239 HydrophobicContact CE1-CZ 3.4Å; Y203-F239 VanDerWaalsContact CE1-CZ 3.4Å; Y203-F239 HydrophobicContact CE2-CE1 4.47Å; Y203-F239 HydrophobicContact CE2-CZ 4.13Å; Y203-F239 HydrophobicContact CG-CE1 4.24Å; Y203-F239 AromaticContact CZ-CE1 3.87Å; Y203-F239 AromaticContact CZ-CZ 3.43Å; Y203-F239 VanDerWaalsContact CZ-CZ 3.43Å; L223-F239 HydrophobicContact CD2-CD1 3.84Å; L223-F239 HydrophobicContact CD2-CE1 3.45Å; L223-F239 VanDerWaalsContact CD2-CE1 3.45Å; T231-F239 HydrophobicContact CG2-CE2 4.14Å; T231-F239 WeakPolarHBondContact OG1-CE2 3.45Å; N235-F239 HydrophobicContact CB-CD2 4.24Å; N235-F239 HydrophobicContact CB-CE2 3.81Å; N235-F239 WeakPolarHBondContact O-CD2 3.47Å; N235-F239 VanDerWaalsContact O-CG 3.29Å; N235-F239 WeakPolarHBondContact O-CG 3.31Å; N235-F239 PolarHBondContact O-N 3.1Å; T236-F239 PolarHBondContact O-N 3.09Å; L237-F239 PolarHBondContact O-N 2.95Å; F239-K243 WeakPolarHBondContact O-CB 3.3Å; F239-K243 PolarHBondContact O-N 3.03Å
240Q60.8Low53.1Low122 Ų12286.4 Ų86.457%0.5746%0.455SS*.Hα-helixtrans-65.4-47.7177.5-77.8176.7-17.700111.8T236 L237 F238 H244T236-Q240 WeakPolarHBondContact O-CB 3.34Å; T236-Q240 WeakPolarHBondContact O-CG 3.45Å; T236-Q240 PolarHBondContact O-N 3.41Å; L237-Q240 PolarHBondContact O-N 3.17Å; F238-Q240 VanDerWaalsContact C-N 3.35Å; F238-Q240 PolarHBondContact O-N 3.43Å; Q240-H244 PolarHBondContact O-N 3.48Å; Q240-H244 VanDerWaalsContact O-N 3.11Å
241L60.6Low52.6Low118 Ų11883.4 Ų83.462%0.61845%0.453SS*.Hα-helixtrans-64.6-44.9178.1-69.8172.1000111.3L237 F238 H244 S245L237-L241 HydrophobicContact CD2-CD1 4.37Å; L237-L241 WeakPolarHBondContact O-CB 3.11Å; L237-L241 WeakPolarHBondContact O-CG 3.4Å; L237-L241 PolarHBondContact O-N 3.17Å; F238-L241 PolarHBondContact O-N 3.33Å; L241-H244 WeakPolarHBondContact O-CB 3.24Å; L241-H244 PolarHBondContact O-N 2.91Å; L241-S245 PolarHBondContact O-N 3.4Å; L241-S245 VanDerWaalsContact O-N 3.09Å
242F59.8Low52Low39 Ų3991.8 Ų91.817%0.17149%0.488CS..Hα-helixtrans-67.3-40.6-178.3-148.6-74.6000111.7V204 A207 F219 F238 H244 S245 L246V204-F242 HydrophobicContact CG2-CE2 4.33Å; A207-F242 HydrophobicContact CB-CD1 4.05Å; A207-F242 HydrophobicContact CB-CE1 3.08Å; A207-F242 HydrophobicContact CB-CE2 4.07Å; A207-F242 HydrophobicContact CB-CZ 3.08Å; F219-F242 HydrophobicContact CE1-CD1 4.44Å; F219-F242 HydrophobicContact CE1-CE1 4.37Å; F238-F242 HydrophobicContact CD1-CB 4.47Å; F238-F242 HydrophobicContact CE1-CB 4.13Å; F238-F242 AromaticContact CE1-CD2 3.8Å; F238-F242 HydrophobicContact CE1-CD2 3.8Å; F238-F242 HydrophobicContact CE1-CG 4.1Å; F238-F242 HydrophobicContact CE2-CD2 4.03Å; F238-F242 HydrophobicContact CZ-CB 4.49Å; F238-F242 AromaticContact CZ-CD2 3.39Å; F238-F242 HydrophobicContact CZ-CD2 3.39Å; F238-F242 AromaticContact CZ-CE2 3.98Å; F238-F242 HydrophobicContact CZ-CE2 3.98Å; F238-F242 HydrophobicContact CZ-CG 4.16Å; F238-F242 WeakPolarHBondContact O-CB 3.43Å; F238-F242 PolarHBondContact O-N 2.77Å; F242-H244 VanDerWaalsContact C-N 3.31Å; F242-H244 PolarHBondContact O-N 3.2Å; F242-S245 PolarHBondContact O-N 3.14Å; F242-S245 PolarHBondContact O-OG 3.17Å; F242-L246 HydrophobicContact CD1-CD1 3.58Å; F242-L246 HydrophobicContact CD1-CG 3.86Å; F242-L246 HydrophobicContact CE1-CD1 3.62Å; F242-L246 HydrophobicContact CE1-CD2 4.09Å; F242-L246 HydrophobicContact CE1-CG 3.69Å; F242-L246 PolarHBondContact O-N 3.49Å
243K60.9Low51.3Low88 Ų8893.7 Ų93.738%0.38350%0.5SS..Hα-helixtrans-61.2-39.3174-174.6170.7-177.4172.60111.7N224 F239 L246 I247N224-K243 PolarHBondContact OD1-NZ 3.28Å; F239-K243 WeakPolarHBondContact O-CB 3.3Å; F239-K243 PolarHBondContact O-N 3.03Å; K243-L246 PolarHBondContact O-N 3.05Å; K243-I247 HydrophobicContact CD-CD1 4.35Å; K243-I247 HydrophobicContact CG-CD1 3.49Å; K243-I247 VanDerWaalsContact CG-CD1 3.49Å; K243-I247 HydrophobicContact CG-CG1 4.38Å; K243-I247 WeakPolarHBondContact O-CB 3.34Å; K243-I247 WeakPolarHBondContact O-CD1 3.41Å; K243-I247 WeakPolarHBondContact O-CG1 3.22Å; K243-I247 PolarHBondContact O-N 3.31Å; K243-I247 VanDerWaalsContact O-N 3.09Å
244H59.4Low50.2Low137 Ų13794.9 Ų94.963%0.63451%0.507SS*.Hα-helixtrans-63-41.1174.6-117.7-78.6000112.4Q240 L241 F242 Q248Q240-H244 PolarHBondContact O-N 3.48Å; Q240-H244 VanDerWaalsContact O-N 3.11Å; L241-H244 WeakPolarHBondContact O-CB 3.24Å; L241-H244 PolarHBondContact O-N 2.91Å; F242-H244 VanDerWaalsContact C-N 3.31Å; F242-H244 PolarHBondContact O-N 3.2Å; H244-Q248 PolarHBondContact O-N 3.39Å
245S57.6Low49.6Very low68 Ų6898.1 Ų98.148%0.47654%0.536SS..Hα-helixtrans-68.9-35.1178.870.70000113.8L241 F242L241-S245 PolarHBondContact O-N 3.4Å; L241-S245 VanDerWaalsContact O-N 3.09Å; F242-S245 PolarHBondContact O-N 3.14Å; F242-S245 PolarHBondContact O-OG 3.17Å
246L53.5Low49.4Very low45 Ų45102.9 Ų102.924%0.23656%0.562CS.*Hα-helixtrans-78.3-28.5178.4-73.9173.4000113.6F219 L220 F242 K243 Q248F219-L246 HydrophobicContact CD1-CD1 3.75Å; F219-L246 HydrophobicContact CE1-CD1 3.85Å; L220-L246 HydrophobicContact CD2-CB 4.38Å; L220-L246 HydrophobicContact CD2-CD1 3.86Å; F242-L246 HydrophobicContact CD1-CD1 3.58Å; F242-L246 HydrophobicContact CD1-CG 3.86Å; F242-L246 HydrophobicContact CE1-CD1 3.62Å; F242-L246 HydrophobicContact CE1-CD2 4.09Å; F242-L246 HydrophobicContact CE1-CG 3.69Å; F242-L246 PolarHBondContact O-N 3.49Å; K243-L246 PolarHBondContact O-N 3.05Å; L246-Q248 VanDerWaalsContact C-N 3.28Å
247I53.9Low49Very low101 Ų101104.9 Ų104.952%0.51857%0.571SS.*Hα-helixtrans-81.6-9.1179.8-65.8170.2000111.9K243 P249K243-I247 HydrophobicContact CD-CD1 4.35Å; K243-I247 HydrophobicContact CG-CD1 3.49Å; K243-I247 VanDerWaalsContact CG-CD1 3.49Å; K243-I247 HydrophobicContact CG-CG1 4.38Å; K243-I247 WeakPolarHBondContact O-CB 3.34Å; K243-I247 WeakPolarHBondContact O-CD1 3.41Å; K243-I247 WeakPolarHBondContact O-CG1 3.22Å; K243-I247 PolarHBondContact O-N 3.31Å; K243-I247 VanDerWaalsContact O-N 3.09Å; I247-P249 WeakPolarHBondContact O-CD 3.49Å
248Q42.2Very low48.6Very low149 Ų149104.9 Ų104.970%0.69657%0.572SS**  trans-100.868.2168.3-71.4-171-40.600111.7H244 L246 C250H244-Q248 PolarHBondContact O-N 3.39Å; L246-Q248 VanDerWaalsContact C-N 3.28Å; Q248-C250 PolarHBondContact O-N 3.19Å; Q248-C250 VanDerWaalsContact O-N 3.15Å
249P37.9Very low48Very low100 Ų100108.4 Ų108.465%0.64959%0.594SS**  trans-67.2116161.729.5-27.3000107.5I247 V251I247-P249 WeakPolarHBondContact O-CD 3.49Å; P249-V251 PolarHBondContact O-N 2.72Å; P249-V251 VanDerWaalsContact O-N 3.14Å
250C35.4Very low47.2Very low82 Ų82114.1 Ų114.155%0.55463%0.626SS**  trans4.992.2164.6-67.80000116.3Q248 F252 C253Q248-C250 PolarHBondContact O-N 3.19Å; Q248-C250 VanDerWaalsContact O-N 3.15Å; C250-F252 PolarHBondContact O-N 3.32Å; C250-F252 VanDerWaalsContact O-N 3.09Å; C250-C253 HydrophobicContact CB-CB 3.66Å; C250-C253 PolarHBondContact O-N 3.02Å
251V37.4Very low46.3Very low143 Ų143113.5 Ų113.587%0.86763%0.63SS**THydrogen-bonded Turntrans-63.4-7.4161.5-178.30000111.3P249P249-V251 PolarHBondContact O-N 2.72Å; P249-V251 VanDerWaalsContact O-N 3.14Å
252F33.3Very low45.3Very low203 Ų203113.2 Ų113.289%0.8963%0.631SS**THydrogen-bonded Turntrans-105.50-179.4-87.2-83.6000116C250C250-F252 PolarHBondContact O-N 3.32Å; C250-F252 VanDerWaalsContact O-N 3.09Å
253C35.9Very low44.2Very low97 Ų97118.9 Ų118.966%0.65567%0.666SS**SBendtrans-107.18.5-178.1-710000115.2C250C250-C253 HydrophobicContact CB-CB 3.66Å; C250-C253 PolarHBondContact O-N 3.02Å
254C28.6Very low42.8Very low121 Ų121121.5 Ų121.582%0.81869%0.69SS**  trans-119.368.1174.8-70.80000111.2
255V38.8Very low41.3Very low212 Ų212120.1 Ų120.1100%1.28570%0.695SS**  trans-139.80151.7-178.20000106.1

Retrieved 255 of 255 residues in 133.2 ms (Link to these results)

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