A0A087XLF1_POEFO Loading...

Transmembrane protein 179Ba

AlphaFold DB , UniProt , Accession A0A087XLF1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 230 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
1M49Very low70.5Confident204 Ų20486.3 Ų86.3100%1.00550%0.496SS*.  0-550-141.6170.7-79.600111.9A3 V4 S5M1-A3 PolarHBondContact O-N 3.06Å; M1-V4 PolarHBondContact O-N 3.12Å; M1-S5 PolarHBondContact O-N 3.2Å; M1-S5 PolarHBondContact O-OG 3.35Å
2M56.8Low71.5Confident165 Ų16584.3 Ų84.381%0.81348%0.482SS*.Hα-helixtrans-57.2-42.5-177.4-65.6-149.7-8500115.8V4 S5 V6M2-V4 VanDerWaalsContact C-N 3.32Å; M2-V4 PolarHBondContact O-N 2.86Å; M2-S5 PolarHBondContact O-N 3.43Å; M2-V6 VanDerWaalsContact O-CG2 3.28Å; M2-V6 WeakPolarHBondContact O-CG2 3.14Å; M2-V6 PolarHBondContact O-N 3.48Å
3A60.4Low72.7Confident81 Ų8181.8 Ų81.867%0.66947%0.473SS*.Hα-helixtrans-66-31.8-178.200000113.8M1 L7M1-A3 PolarHBondContact O-N 3.06Å; A3-L7 VanDerWaalsContact O-CB 3.28Å; A3-L7 WeakPolarHBondContact O-CB 3.33Å; A3-L7 PolarHBondContact O-N 2.9Å
4V63.8Low73.7Confident100 Ų10076.9 Ų76.961%0.60644%0.444SS*.Hα-helixtrans-75.8-41.4178.5178.50000110.1M1 M2 L7 L8M1-V4 PolarHBondContact O-N 3.12Å; M2-V4 VanDerWaalsContact C-N 3.32Å; M2-V4 PolarHBondContact O-N 2.86Å; V4-L7 PolarHBondContact O-N 3.1Å; V4-L8 PolarHBondContact O-N 3.38Å
5S70.4Confident74.5Confident63 Ų6371.8 Ų71.844%0.44141%0.414SS..Hα-helixtrans-63.8-44.9176.7-51.90000112.3M1 M2 L7 L8 V9M1-S5 PolarHBondContact O-N 3.2Å; M1-S5 PolarHBondContact O-OG 3.35Å; M2-S5 PolarHBondContact O-N 3.43Å; S5-L7 VanDerWaalsContact C-N 3.3Å; S5-L7 PolarHBondContact O-N 3.13Å; S5-L8 PolarHBondContact O-N 3.04Å; S5-V9 WeakPolarHBondContact O-CG2 3.39Å; S5-V9 PolarHBondContact O-N 3.21Å
6V77.3Confident75.2Confident101 Ų10170.3 Ų70.361%0.61241%0.413SS*.Hα-helixtrans-60.9-42.2177.8170.20000111.4M2 L8 V9 L10M2-V6 VanDerWaalsContact O-CG2 3.28Å; M2-V6 WeakPolarHBondContact O-CG2 3.14Å; M2-V6 PolarHBondContact O-N 3.48Å; V6-L8 VanDerWaalsContact C-N 3.35Å; V6-V9 PolarHBondContact O-N 3.47Å; V6-L10 WeakPolarHBondContact O-CB 3.45Å; V6-L10 PolarHBondContact O-N 2.96Å
7L77Confident75.9Confident37 Ų3769.4 Ų69.419%0.19441%0.41CS..Hα-helixtrans-69.1-35-178.5-17262.4000112.5A3 V4 S5 E11 L187 Q191A3-L7 VanDerWaalsContact O-CB 3.28Å; A3-L7 WeakPolarHBondContact O-CB 3.33Å; A3-L7 PolarHBondContact O-N 2.9Å; V4-L7 PolarHBondContact O-N 3.1Å; S5-L7 VanDerWaalsContact C-N 3.3Å; S5-L7 PolarHBondContact O-N 3.13Å; L7-E11 WeakPolarHBondContact O-CB 3.49Å; L7-E11 PolarHBondContact O-N 2.72Å; L7-L187 HydrophobicContact CD1-CD1 4.47Å; L7-L187 HydrophobicContact CD1-CD2 3.81Å; L7-L187 HydrophobicContact CD1-CG 4.48Å; L7-Q191 HydrophobicContact CD2-CG 3.31Å; L7-Q191 HydrophobicContact CG-CG 4.27Å
8L74.3Confident76.4Confident23 Ų2365.5 Ų65.512%0.1239%0.388CS..Hα-helixtrans-67.4-43.8174.2-155.499.1000111.9V4 S5 V6 L10 E11 L12 W87 F91 L97V4-L8 PolarHBondContact O-N 3.38Å; S5-L8 PolarHBondContact O-N 3.04Å; V6-L8 VanDerWaalsContact C-N 3.35Å; L8-L10 VanDerWaalsContact C-N 3.31Å; L8-L10 PolarHBondContact O-N 3.17Å; L8-E11 PolarHBondContact O-N 3.16Å; L8-L12 WeakPolarHBondContact O-CB 3.48Å; L8-L12 PolarHBondContact O-N 3.25Å; L8-W87 HydrophobicContact CD1-CE3 3.85Å; L8-W87 HydrophobicContact CD1-CH2 4.21Å; L8-W87 HydrophobicContact CD1-CZ3 3.54Å; L8-W87 HydrophobicContact CG-CE3 4.4Å; L8-F91 HydrophobicContact CD2-CD2 4.22Å; L8-L97 HydrophobicContact CD1-CD1 3.75Å; L8-L97 HydrophobicContact CD2-CD1 3.53Å; L8-L97 HydrophobicContact CG-CD1 4.28Å
9V80.4Confident76.8Confident97 Ų9765.4 Ų65.459%0.58838%0.382SS*.Hα-helixtrans-62.6-41.2176.4171.70000110.5S5 V6 L12 S13S5-V9 WeakPolarHBondContact O-CG2 3.39Å; S5-V9 PolarHBondContact O-N 3.21Å; V6-V9 PolarHBondContact O-N 3.47Å; V9-L12 PolarHBondContact O-N 3.49Å; V9-S13 WeakPolarHBondContact O-CB 3.31Å; V9-S13 PolarHBondContact O-N 3.21Å; V9-S13 PolarHBondContact O-OG 3.01Å
10L83.9Confident77.3Confident76 Ų7666.3 Ų66.340%0.39839%0.388SS..Hα-helixtrans-61-47.8174.3-174.869.6000111V6 L8 L12 S13 L14 L187V6-L10 WeakPolarHBondContact O-CB 3.45Å; V6-L10 PolarHBondContact O-N 2.96Å; L8-L10 VanDerWaalsContact C-N 3.31Å; L8-L10 PolarHBondContact O-N 3.17Å; L10-L12 PolarHBondContact O-N 2.99Å; L10-S13 PolarHBondContact O-N 2.86Å; L10-S13 PolarHBondContact O-OG 3.43Å; L10-L14 HydrophobicContact CG-CD1 4.14Å; L10-L14 VanDerWaalsContact O-CG 3.32Å; L10-L14 WeakPolarHBondContact O-CG 3.39Å; L10-L14 PolarHBondContact O-N 2.93Å; L10-L187 HydrophobicContact CD2-CD1 3.7Å; L10-L187 HydrophobicContact CD2-CD2 4.18Å; L10-L187 HydrophobicContact CG-CD1 4.18Å
11E82.3Confident77.6Confident2 Ų264.2 Ų64.21%0.00938%0.377CS..Hα-helixtrans-60.2-43.9178.3-167.7178162.900111.8L7 L8 L14 Y15 R99L7-E11 WeakPolarHBondContact O-CB 3.49Å; L7-E11 PolarHBondContact O-N 2.72Å; L8-E11 PolarHBondContact O-N 3.16Å; E11-L14 PolarHBondContact O-N 3.35Å; E11-Y15 HydrophobicContact CG-CD2 4.21Å; E11-Y15 HydrophobicContact CG-CE2 3.47Å; E11-Y15 VanDerWaalsContact CG-CE2 3.47Å; E11-Y15 VanDerWaalsContact O-CD2 3.26Å; E11-Y15 WeakPolarHBondContact O-CD2 3.42Å; E11-Y15 PolarHBondContact O-N 3.46Å; E11-Y15 WeakPolarHBondContact OE1-CE2 3.4Å; E11-Y15 PolarHBondContact OE1-OH 2.9Å; E11-R99 IonicContact OE2-NH1 3.04Å; E11-R99 PolarHBondContact OE2-NH1 3.32Å
12L82.8Confident79.1Confident62 Ų6254.6 Ų54.633%0.32533%0.33SS..Hα-helixtrans-62.4-43.8175.5-175.768.3000112L8 V9 L10 L14 Y15 A16 W87 V88L8-L12 WeakPolarHBondContact O-CB 3.48Å; L8-L12 PolarHBondContact O-N 3.25Å; V9-L12 PolarHBondContact O-N 3.49Å; L10-L12 PolarHBondContact O-N 2.99Å; L12-L14 VanDerWaalsContact C-N 3.29Å; L12-L14 PolarHBondContact O-N 3.48Å; L12-Y15 PolarHBondContact O-N 2.7Å; L12-A16 PolarHBondContact O-N 3.27Å; L12-W87 HydrophobicContact CD1-CB 4.42Å; L12-V88 HydrophobicContact CD1-CG2 3.99Å; L12-V88 HydrophobicContact CD2-CG2 4.21Å
13S86.4Confident80.4Confident52 Ų5250.5 Ų50.536%0.36431%0.31SS..Hα-helixtrans-62.1-39.2177.774.20000111.7V9 L10 A16 C17V9-S13 WeakPolarHBondContact O-CB 3.31Å; V9-S13 PolarHBondContact O-N 3.21Å; V9-S13 PolarHBondContact O-OG 3.01Å; L10-S13 PolarHBondContact O-N 2.86Å; L10-S13 PolarHBondContact O-OG 3.43Å; S13-A16 PolarHBondContact O-N 3.31Å; S13-C17 PolarHBondContact O-N 2.79Å; S13-C17 PolarHBondContact O-SG 3.17Å
14L87.1Confident81.5Confident14 Ų1450 Ų507%0.07330%0.299CS..Hα-helixtrans-66.2-43177.9-72.4165.7000111.2L10 E11 L12 A16 C17 C18 F180 I183 I184 L187L10-L14 HydrophobicContact CG-CD1 4.14Å; L10-L14 VanDerWaalsContact O-CG 3.32Å; L10-L14 WeakPolarHBondContact O-CG 3.39Å; L10-L14 PolarHBondContact O-N 2.93Å; E11-L14 PolarHBondContact O-N 3.35Å; L12-L14 VanDerWaalsContact C-N 3.29Å; L12-L14 PolarHBondContact O-N 3.48Å; L14-A16 VanDerWaalsContact C-N 3.35Å; L14-A16 PolarHBondContact O-N 2.82Å; L14-C17 PolarHBondContact O-N 3.41Å; L14-C18 WeakPolarHBondContact O-CB 3.32Å; L14-C18 PolarHBondContact O-N 2.89Å; L14-C18 PolarHBondContact O-SG 2.89Å; L14-F180 HydrophobicContact CD2-CB 4.49Å; L14-F180 HydrophobicContact CD2-CD1 3.7Å; L14-F180 HydrophobicContact CD2-CE1 4.27Å; L14-F180 HydrophobicContact CD2-CG 4.33Å; L14-I183 HydrophobicContact CD1-CB 4.47Å; L14-I183 HydrophobicContact CD1-CG2 3.69Å; L14-I183 HydrophobicContact CD2-CG2 4.34Å; L14-I184 HydrophobicContact CB-CD1 3.94Å; L14-I184 HydrophobicContact CB-CG1 3.77Å; L14-I184 HydrophobicContact CD1-CG1 3.99Å; L14-I184 HydrophobicContact CG-CG1 4.45Å; L14-L187 HydrophobicContact CD1-CD1 3.65Å
15Y85.1Confident82.3Confident0 Ų045.4 Ų45.40%027%0.271CS..Hα-helixtrans-63.5-39.2175-67.9-48.7000112.8E11 L12 C18 F19 L83 S84 W87 M107 W181 I184E11-Y15 HydrophobicContact CG-CD2 4.21Å; E11-Y15 HydrophobicContact CG-CE2 3.47Å; E11-Y15 VanDerWaalsContact CG-CE2 3.47Å; E11-Y15 VanDerWaalsContact O-CD2 3.26Å; E11-Y15 WeakPolarHBondContact O-CD2 3.42Å; E11-Y15 PolarHBondContact O-N 3.46Å; E11-Y15 WeakPolarHBondContact OE1-CE2 3.4Å; E11-Y15 PolarHBondContact OE1-OH 2.9Å; L12-Y15 PolarHBondContact O-N 2.7Å; Y15-C18 PolarHBondContact O-N 3.27Å; Y15-F19 WeakPolarHBondContact O-CB 3.13Å; Y15-F19 PolarHBondContact O-N 3.36Å; Y15-L83 HydrophobicContact CE1-CD1 4.13Å; Y15-S84 WeakPolarHBondContact CB-OG 3.41Å; Y15-W87 AromaticContact CE2-CD1 3.94Å; Y15-W87 AromaticContact CE2-NE1 3.84Å; Y15-M107 HydrophobicContact CE1-CE 4.24Å; Y15-M107 HydrophobicContact CE2-CE 4.38Å; Y15-M107 WeakPolarHBondContact OH-CE 3.28Å; Y15-W181 HydrophobicContact CE1-CH2 4.41Å; Y15-I184 HydrophobicContact CD1-CD1 3.8Å; Y15-I184 HydrophobicContact CE1-CD1 3.7Å; Y15-I184 HydrophobicContact CE1-CG1 4.36Å; Y15-I184 HydrophobicContact CE1-CG2 3.92Å; Y15-I184 WeakPolarHBondContact OH-CG2 3.25Å
16A85.8Confident82.7Confident48 Ų4843 Ų4340%0.39726%0.256SS..Hα-helixtrans-63.7-43175.500000111.7L12 S13 L14 F19 V20L12-A16 PolarHBondContact O-N 3.27Å; S13-A16 PolarHBondContact O-N 3.31Å; L14-A16 VanDerWaalsContact C-N 3.35Å; L14-A16 PolarHBondContact O-N 2.82Å; A16-F19 WeakPolarHBondContact O-CB 3.46Å; A16-F19 PolarHBondContact O-N 3.32Å; A16-V20 WeakPolarHBondContact O-CG2 3.44Å; A16-V20 PolarHBondContact O-N 2.89Å; A16-V20 VanDerWaalsContact O-N 3.1Å
17C86.8Confident83Confident54 Ų5440.3 Ų40.337%0.36524%0.243SC..Hα-helixtrans-63-45.1174.2-69.10000111.9S13 L14 F19 V20 C21 F180S13-C17 PolarHBondContact O-N 2.79Å; S13-C17 PolarHBondContact O-SG 3.17Å; L14-C17 PolarHBondContact O-N 3.41Å; C17-F19 VanDerWaalsContact C-N 3.29Å; C17-F19 PolarHBondContact O-N 3.23Å; C17-V20 PolarHBondContact O-N 2.99Å; C17-C21 WeakPolarHBondContact O-CB 3.21Å; C17-C21 PolarHBondContact O-N 2.89Å; C17-C21 PolarHBondContact O-SG 3.04Å; C17-F180 HydrophobicContact CB-CD2 4.03Å; C17-F180 HydrophobicContact CB-CE2 3.6Å; C17-F180 HydrophobicContact CB-CZ 4.02Å
18C85.1Confident83.1Confident0 Ų039 Ų390%024%0.237CC..Hα-helixtrans-57.7-41.2174.8-72.80000112.1L14 Y15 C21 G22 C80 N177 F180L14-C18 WeakPolarHBondContact O-CB 3.32Å; L14-C18 PolarHBondContact O-N 2.89Å; L14-C18 PolarHBondContact O-SG 2.89Å; Y15-C18 PolarHBondContact O-N 3.27Å; C18-C21 PolarHBondContact O-N 3.42Å; C18-G22 PolarHBondContact O-N 3.46Å; C18-C80 HydrophobicContact CB-CB 4.42Å; C18-N177 WeakPolarHBondContact CA-OD1 3.45Å; C18-N177 WeakPolarHBondContact CB-OD1 3.36Å; C18-N177 PolarHBondContact SG-OD1 3.21Å; C18-F180 WeakPolarHBondContact SG-CB 3.31Å
19F84.6Confident83Confident63 Ų6338.4 Ų38.428%0.27623%0.234SC..Hα-helixtrans-60.9-49.6176.9172.9-108.4000111.8Y15 A16 C17 G22 I23 A77 C80 F81Y15-F19 WeakPolarHBondContact O-CB 3.13Å; Y15-F19 PolarHBondContact O-N 3.36Å; A16-F19 WeakPolarHBondContact O-CB 3.46Å; A16-F19 PolarHBondContact O-N 3.32Å; C17-F19 VanDerWaalsContact C-N 3.29Å; C17-F19 PolarHBondContact O-N 3.23Å; F19-G22 PolarHBondContact O-N 3.48Å; F19-I23 HydrophobicContact CD1-CD1 4.1Å; F19-I23 HydrophobicContact CD2-CD1 4.15Å; F19-I23 HydrophobicContact CE1-CD1 3.52Å; F19-I23 HydrophobicContact CE2-CD1 3.58Å; F19-I23 HydrophobicContact CE2-CG1 4.28Å; F19-I23 HydrophobicContact CG-CD1 4.4Å; F19-I23 HydrophobicContact CZ-CD1 3.26Å; F19-I23 HydrophobicContact CZ-CG1 4.4Å; F19-I23 WeakPolarHBondContact O-CG1 3.42Å; F19-I23 PolarHBondContact O-N 3.12Å; F19-A77 HydrophobicContact CD2-CB 4.38Å; F19-A77 WeakPolarHBondContact CD2-O 3.42Å; F19-C80 HydrophobicContact CB-CB 4.29Å; F19-F81 HydrophobicContact CD2-CB 3.84Å; F19-F81 HydrophobicContact CD2-CD2 4.32Å; F19-F81 HydrophobicContact CE1-CD2 4.4Å; F19-F81 HydrophobicContact CE2-CB 3.77Å; F19-F81 AromaticContact CE2-CD2 3.82Å; F19-F81 HydrophobicContact CE2-CD2 3.82Å; F19-F81 HydrophobicContact CE2-CG 4.09Å; F19-F81 AromaticContact CZ-CD2 3.83Å; F19-F81 HydrophobicContact CZ-CD2 3.83Å; F19-F81 HydrophobicContact CZ-CE2 4.49Å
20V86.6Confident82.8Confident84 Ų8437.3 Ų37.351%0.50923%0.228SC..Hα-helixtrans-62.1-46.3177.6176.80000110.7A16 C17 G22 I23 V24A16-V20 WeakPolarHBondContact O-CG2 3.44Å; A16-V20 PolarHBondContact O-N 2.89Å; A16-V20 VanDerWaalsContact O-N 3.1Å; C17-V20 PolarHBondContact O-N 2.99Å; V20-G22 VanDerWaalsContact C-N 3.33Å; V20-G22 PolarHBondContact O-N 3.48Å; V20-I23 PolarHBondContact O-N 3.31Å; V20-V24 HydrophobicContact CG1-CG2 4.36Å; V20-V24 VanDerWaalsContact O-CG2 3.29Å; V20-V24 WeakPolarHBondContact O-CG2 3.19Å; V20-V24 PolarHBondContact O-N 2.95Å
21C83.2Confident82.3Confident23 Ų2337.8 Ų37.816%0.15523%0.23CC..Hα-helixtrans-60.8-40.9177.1-68.40000112.4C17 C18 V24 A25 N177C17-C21 WeakPolarHBondContact O-CB 3.21Å; C17-C21 PolarHBondContact O-N 2.89Å; C17-C21 PolarHBondContact O-SG 3.04Å; C18-C21 PolarHBondContact O-N 3.42Å; C21-V24 PolarHBondContact O-N 2.92Å; C21-A25 WeakPolarHBondContact O-CB 3.31Å; C21-A25 PolarHBondContact O-N 3.12Å; C21-N177 HydrophobicContact CB-CB 4.27Å
22G81.9Confident81.7Confident1 Ų138.2 Ų38.21%0.0123%0.233CC..Hα-helixtrans-62.2-43.7176.200000112.7C18 F19 V20 A25 A26C18-G22 PolarHBondContact O-N 3.46Å; F19-G22 PolarHBondContact O-N 3.48Å; V20-G22 VanDerWaalsContact C-N 3.33Å; V20-G22 PolarHBondContact O-N 3.48Å; G22-A25 PolarHBondContact O-N 3.28Å; G22-A26 WeakPolarHBondContact O-CB 3.49Å; G22-A26 PolarHBondContact O-N 3.47Å
23I84Confident81.1Confident79 Ų7936.9 Ų36.941%0.40523%0.225SC..Hα-helixtrans-65-45.4175.3-69174000111.1F19 V20 A25 A26 A27F19-I23 HydrophobicContact CD1-CD1 4.1Å; F19-I23 HydrophobicContact CD2-CD1 4.15Å; F19-I23 HydrophobicContact CE1-CD1 3.52Å; F19-I23 HydrophobicContact CE2-CD1 3.58Å; F19-I23 HydrophobicContact CE2-CG1 4.28Å; F19-I23 HydrophobicContact CG-CD1 4.4Å; F19-I23 HydrophobicContact CZ-CD1 3.26Å; F19-I23 HydrophobicContact CZ-CG1 4.4Å; F19-I23 WeakPolarHBondContact O-CG1 3.42Å; F19-I23 PolarHBondContact O-N 3.12Å; V20-I23 PolarHBondContact O-N 3.31Å; I23-A25 VanDerWaalsContact C-N 3.31Å; I23-A25 PolarHBondContact O-N 3.48Å; I23-A26 PolarHBondContact O-N 3.21Å; I23-A27 VanDerWaalsContact O-CB 3.25Å; I23-A27 WeakPolarHBondContact O-CB 3.41Å; I23-A27 PolarHBondContact O-N 3.01Å
24V83.1Confident80.2Confident72 Ų7237 Ų3744%0.43623%0.234SC..Hα-helixtrans-61.4-41.9179.4171.40000110.8V20 C21 S28 A173V20-V24 HydrophobicContact CG1-CG2 4.36Å; V20-V24 VanDerWaalsContact O-CG2 3.29Å; V20-V24 WeakPolarHBondContact O-CG2 3.19Å; V20-V24 PolarHBondContact O-N 2.95Å; C21-V24 PolarHBondContact O-N 2.92Å; V24-S28 WeakPolarHBondContact O-CB 3.28Å; V24-S28 PolarHBondContact O-N 3.09Å; V24-S28 PolarHBondContact O-OG 3.42Å; V24-A173 HydrophobicContact CG1-CB 4.38Å
25A79.6Confident79.3Confident2 Ų239.1 Ų39.12%0.01725%0.246CC..Hα-helixtrans-62.6-47.6174.700000111.7C21 G22 I23 S28 L29 A173 V174C21-A25 WeakPolarHBondContact O-CB 3.31Å; C21-A25 PolarHBondContact O-N 3.12Å; G22-A25 PolarHBondContact O-N 3.28Å; I23-A25 VanDerWaalsContact C-N 3.31Å; I23-A25 PolarHBondContact O-N 3.48Å; A25-S28 PolarHBondContact O-OG 2.95Å; A25-L29 WeakPolarHBondContact O-CD1 3.38Å; A25-L29 VanDerWaalsContact O-CG 3.23Å; A25-L29 WeakPolarHBondContact O-CG 3.41Å; A25-L29 PolarHBondContact O-N 3.4Å; A25-A173 HydrophobicContact CB-CB 4.04Å; A25-V174 HydrophobicContact CB-CG2 4.06Å
26A80.4Confident78.3Confident14 Ų1439.7 Ų39.712%0.11625%0.248CC..Hα-helixtrans-63.6-46.7178.100000112.2G22 I23 S28 L29 T30 I74G22-A26 WeakPolarHBondContact O-CB 3.49Å; G22-A26 PolarHBondContact O-N 3.47Å; I23-A26 PolarHBondContact O-N 3.21Å; A26-S28 PolarHBondContact O-N 2.99Å; A26-L29 PolarHBondContact O-N 3Å; A26-T30 PolarHBondContact O-N 3.2Å; A26-T30 PolarHBondContact O-OG1 3.1Å; A26-I74 HydrophobicContact CB-CG1 4.29Å
27A81.8Confident77.1Confident43 Ų4341 Ų4136%0.35527%0.267SS..Hα-helixtrans-63.2-43.9-179.100000112.1I23 L29 T30 I31I23-A27 VanDerWaalsContact O-CB 3.25Å; I23-A27 WeakPolarHBondContact O-CB 3.41Å; I23-A27 PolarHBondContact O-N 3.01Å; A27-L29 VanDerWaalsContact C-N 3.32Å; A27-L29 PolarHBondContact O-N 3.37Å; A27-T30 PolarHBondContact O-N 2.85Å; A27-I31 WeakPolarHBondContact O-CD1 3.37Å; A27-I31 VanDerWaalsContact O-CG1 3.22Å; A27-I31 WeakPolarHBondContact O-CG1 3.42Å; A27-I31 PolarHBondContact O-N 3.21Å
28S79.1Confident75.9Confident9 Ų941 Ų416%0.06328%0.275CS..Hα-helixtrans-62.6-39177.2510000112.2V24 A25 A26 V32 A170V24-S28 WeakPolarHBondContact O-CB 3.28Å; V24-S28 PolarHBondContact O-N 3.09Å; V24-S28 PolarHBondContact O-OG 3.42Å; A25-S28 PolarHBondContact O-OG 2.95Å; A26-S28 PolarHBondContact O-N 2.99Å; S28-V32 VanDerWaalsContact O-CG2 3.31Å; S28-V32 WeakPolarHBondContact O-CG2 3.32Å; S28-V32 PolarHBondContact O-N 3.4Å; S28-V32 VanDerWaalsContact O-N 3.15Å; S28-A170 VanDerWaalsContact OG-CB 3.26Å; S28-A170 WeakPolarHBondContact OG-CB 2.91Å
29L73.4Confident74.8Confident11 Ų1145.1 Ų45.16%0.05830%0.297CS..Hα-helixtrans-67.7-41.4174.1-67.1170.5000112.4A25 A26 A27 V32 Q33 V69 L125 A170A25-L29 WeakPolarHBondContact O-CD1 3.38Å; A25-L29 VanDerWaalsContact O-CG 3.23Å; A25-L29 WeakPolarHBondContact O-CG 3.41Å; A25-L29 PolarHBondContact O-N 3.4Å; A26-L29 PolarHBondContact O-N 3Å; A27-L29 VanDerWaalsContact C-N 3.32Å; A27-L29 PolarHBondContact O-N 3.37Å; L29-V32 PolarHBondContact O-N 3.18Å; L29-Q33 WeakPolarHBondContact O-CG 3.44Å; L29-Q33 PolarHBondContact O-N 3.27Å; L29-V69 HydrophobicContact CD1-CB 4.42Å; L29-V69 HydrophobicContact CD1-CG1 3.52Å; L29-L125 HydrophobicContact CD2-CD2 4Å; L29-A170 HydrophobicContact CD2-CB 4.13Å; L29-A170 HydrophobicContact CG-CB 4.19Å
30T75.4Confident73.9Confident74 Ų7442.3 Ų42.345%0.45429%0.285SS..Hα-helixtrans-65.9-39.1177.4-58.10000111.9A26 A27 V32 Q33 G34A26-T30 PolarHBondContact O-N 3.2Å; A26-T30 PolarHBondContact O-OG1 3.1Å; A27-T30 PolarHBondContact O-N 2.85Å; T30-V32 VanDerWaalsContact C-N 3.32Å; T30-V32 PolarHBondContact O-N 3.46Å; T30-Q33 PolarHBondContact O-N 2.94Å; T30-G34 PolarHBondContact O-N 2.89Å
31I75.1Confident72.7Confident87 Ų8738.5 Ų38.545%0.44626%0.262SS..Hα-helixtrans-61.8-43.6174.5-69.4163.3000110.1A27 Q33 G34 N35A27-I31 WeakPolarHBondContact O-CD1 3.37Å; A27-I31 VanDerWaalsContact O-CG1 3.22Å; A27-I31 WeakPolarHBondContact O-CG1 3.42Å; A27-I31 PolarHBondContact O-N 3.21Å; I31-Q33 VanDerWaalsContact C-N 3.34Å; I31-Q33 PolarHBondContact O-N 3.02Å; I31-G34 PolarHBondContact O-N 2.88Å; I31-N35 PolarHBondContact O-N 3.41Å; I31-N35 PolarHBondContact O-OD1 3.14Å
32V68.9Low71.6Confident11 Ų1137.9 Ų37.97%0.06726%0.256CS..Hα-helixtrans-63.1-41.4175.6173.70000110.7S28 L29 T30 F36 N166 L167S28-V32 VanDerWaalsContact O-CG2 3.31Å; S28-V32 WeakPolarHBondContact O-CG2 3.32Å; S28-V32 PolarHBondContact O-N 3.4Å; S28-V32 VanDerWaalsContact O-N 3.15Å; L29-V32 PolarHBondContact O-N 3.18Å; T30-V32 VanDerWaalsContact C-N 3.32Å; T30-V32 PolarHBondContact O-N 3.46Å; V32-F36 VanDerWaalsContact O-CD2 3.26Å; V32-F36 WeakPolarHBondContact O-CD2 3.48Å; V32-N166 HydrophobicContact CG2-CB 3.77Å; V32-L167 HydrophobicContact CG1-CD1 4.38Å
33Q69.3Low70.4Confident33 Ų3340.7 Ų40.715%0.15427%0.267CS..Hα-helixtrans-64.9-42175.1-73173.23.600112.7L29 T30 I31 F36 G37 G38 C66L29-Q33 WeakPolarHBondContact O-CG 3.44Å; L29-Q33 PolarHBondContact O-N 3.27Å; T30-Q33 PolarHBondContact O-N 2.94Å; I31-Q33 VanDerWaalsContact C-N 3.34Å; I31-Q33 PolarHBondContact O-N 3.02Å; Q33-F36 CarbonylContact O-C 3.58Å; Q33-F36 PolarHBondContact O-N 3.06Å; Q33-G37 PolarHBondContact O-N 2.98Å; Q33-G38 WeakPolarHBondContact O-CA 3.41Å; Q33-G38 PolarHBondContact O-N 2.99Å; Q33-C66 VanDerWaalsContact NE2-CB 3.29Å
34G67.4Low69.3Low54 Ų5436.9 Ų36.956%0.55725%0.248SC*.Hα-helixtrans-62.7-43.2179.700000112.7T30 I31 F36 G37T30-G34 PolarHBondContact O-N 2.89Å; I31-G34 PolarHBondContact O-N 2.88Å; G34-F36 PolarHBondContact O-N 3.04Å; G34-F36 VanDerWaalsContact O-N 3.15Å; G34-G37 PolarHBondContact O-N 2.89Å
35N68.2Low68Low60 Ų6041.3 Ų41.332%0.32126%0.257SS..Hα-helixtrans-64.9-17.9178-73.98.2000113.7I31I31-N35 PolarHBondContact O-N 3.41Å; I31-N35 PolarHBondContact O-OD1 3.14Å
36F63.8Low67.3Low12 Ų1241.5 Ų41.55%0.05326%0.257CS..THydrogen-bonded Turntrans-110.117.2-179.5-80.4-84.9000113.4V32 Q33 G34 G38 L39 M41 V57 I158 I163V32-F36 VanDerWaalsContact O-CD2 3.26Å; V32-F36 WeakPolarHBondContact O-CD2 3.48Å; Q33-F36 CarbonylContact O-C 3.58Å; Q33-F36 PolarHBondContact O-N 3.06Å; G34-F36 PolarHBondContact O-N 3.04Å; G34-F36 VanDerWaalsContact O-N 3.15Å; F36-G38 VanDerWaalsContact C-N 3.26Å; F36-G38 PolarHBondContact O-N 2.74Å; F36-L39 HydrophobicContact CB-CB 4.29Å; F36-L39 WeakPolarHBondContact O-CB 3.37Å; F36-L39 PolarHBondContact O-N 2.76Å; F36-M41 HydrophobicContact CD1-CE 4.4Å; F36-M41 HydrophobicContact CD1-CG 4.33Å; F36-M41 HydrophobicContact CD1-SD 4.38Å; F36-M41 HydrophobicContact CE1-CE 3.4Å; F36-M41 VanDerWaalsContact CE1-CE 3.4Å; F36-M41 HydrophobicContact CE1-CG 4.08Å; F36-M41 HydrophobicContact CE1-SD 3.61Å; F36-M41 HydrophobicContact CE2-SD 3.79Å; F36-M41 HydrophobicContact CZ-CE 3.5Å; F36-M41 VanDerWaalsContact CZ-CE 3.5Å; F36-M41 HydrophobicContact CZ-CG 4.2Å; F36-M41 HydrophobicContact CZ-SD 3.26Å; F36-M41 WeakPolarHBondContact CZ-SD 3.4Å; F36-V57 HydrophobicContact CD1-CG2 4.26Å; F36-V57 HydrophobicContact CE1-CG2 3.74Å; F36-I158 HydrophobicContact CD1-CG2 3.82Å; F36-I158 HydrophobicContact CE1-CG2 3.21Å; F36-I158 HydrophobicContact CE2-CG2 4.36Å; F36-I158 HydrophobicContact CZ-CG2 3.52Å; F36-I163 HydrophobicContact CE2-CD1 3.27Å; F36-I163 HydrophobicContact CE2-CG1 3.62Å; F36-I163 HydrophobicContact CZ-CD1 3.2Å; F36-I163 HydrophobicContact CZ-CG1 4.09Å
37G61.8Low66.2Low76 Ų7642.7 Ų42.778%0.78427%0.265SS*.THydrogen-bonded Turntrans63.630.6178.400000113.6Q33 G34Q33-G37 PolarHBondContact O-N 2.98Å; G34-G37 PolarHBondContact O-N 2.89Å
38G62Low65.1Low52 Ų5244.2 Ų44.254%0.53626%0.262SS..THydrogen-bonded Turntrans91.21.9179.700000115.1Q33 F36Q33-G38 WeakPolarHBondContact O-CA 3.41Å; Q33-G38 PolarHBondContact O-N 2.99Å; F36-G38 VanDerWaalsContact C-N 3.26Å; F36-G38 PolarHBondContact O-N 2.74Å
39L61.3Low64.3Low88 Ų8848 Ų4846%0.46128%0.282SS..  trans-82.5138.8178-66.1160.7000111.7F36 M41F36-L39 HydrophobicContact CB-CB 4.29Å; F36-L39 WeakPolarHBondContact O-CB 3.37Å; F36-L39 PolarHBondContact O-N 2.76Å; L39-M41 PolarHBondContact O-N 2.94Å
40C66.5Low63.5Low3 Ų351 Ų512%0.0231%0.308CS..  trans-82.3110.5172.6-169.70000110.6L42 T61 C66C40-L42 VanDerWaalsContact C-N 3.26Å; C40-L42 PolarHBondContact O-N 3.07Å; C40-L42 VanDerWaalsContact SG-CB 3.55Å; C40-T61 HydrophobicContact CB-CG2 4.12Å; C40-T61 PolarHBondContact O-N 2.87Å; C40-C66 VanDerWaalsContact CA-SG 3.55Å; C40-C66 HydrophobicContact CB-CB 3.4Å; C40-C66 VanDerWaalsContact CB-CB 3.4Å; C40-C66 WeakPolarHBondContact CB-SG 3.19Å; C40-C66 WeakPolarHBondContact SG-CB 3.28Å; C40-C66 CovalentContact SG-SG 2.02Å; C40-C66 PolarHBondContact SG-SG 3.36Å
41M61.3Low62.5Low5 Ų554.1 Ų54.13%0.02533%0.327CS..  trans-84.43178.6-138.6-156.6-168.800114F36 L39 Y43 G44 V46 V57 W154 I163F36-M41 HydrophobicContact CD1-CE 4.4Å; F36-M41 HydrophobicContact CD1-CG 4.33Å; F36-M41 HydrophobicContact CD1-SD 4.38Å; F36-M41 HydrophobicContact CE1-CE 3.4Å; F36-M41 VanDerWaalsContact CE1-CE 3.4Å; F36-M41 HydrophobicContact CE1-CG 4.08Å; F36-M41 HydrophobicContact CE1-SD 3.61Å; F36-M41 HydrophobicContact CE2-SD 3.79Å; F36-M41 HydrophobicContact CZ-CE 3.5Å; F36-M41 VanDerWaalsContact CZ-CE 3.5Å; F36-M41 HydrophobicContact CZ-CG 4.2Å; F36-M41 HydrophobicContact CZ-SD 3.26Å; F36-M41 WeakPolarHBondContact CZ-SD 3.4Å; L39-M41 PolarHBondContact O-N 2.94Å; M41-Y43 PolarHBondContact O-N 3.41Å; M41-G44 PolarHBondContact O-N 3.45Å; M41-V46 HydrophobicContact CE-CG2 4.29Å; M41-V57 HydrophobicContact CE-CG1 4.49Å; M41-V57 HydrophobicContact CE-CG2 3.66Å; M41-W154 HydrophobicContact CE-CH2 4.13Å; M41-W154 HydrophobicContact CE-CZ3 3.87Å; M41-I163 HydrophobicContact SD-CD1 3.86Å; M41-I163 HydrophobicContact SD-CG2 4.18Å
42L58.8Low61.5Low9 Ų952.1 Ų52.15%0.04733%0.328CS..THydrogen-bonded Turntrans-65.4114.3176.7-159.571.1000108.7C40 G44 T61 L125 L167C40-L42 VanDerWaalsContact C-N 3.26Å; C40-L42 PolarHBondContact O-N 3.07Å; C40-L42 VanDerWaalsContact SG-CB 3.55Å; L42-G44 VanDerWaalsContact C-N 3.35Å; L42-T61 WeakPolarHBondContact O-CB 3.38Å; L42-T61 WeakPolarHBondContact O-CG2 3.42Å; L42-T61 PolarHBondContact O-OG1 2.71Å; L42-T61 VanDerWaalsContact O-OG1 3.14Å; L42-L125 HydrophobicContact CD1-CD2 3.76Å; L42-L125 HydrophobicContact CD2-CD2 4.3Å; L42-L167 HydrophobicContact CD1-CD2 3.57Å
43Y56.4Low60.9Low60 Ų6055.2 Ų55.224%0.23534%0.344CS..THydrogen-bonded Turntrans70.216.7-166-56.1-95.9000116.4M41 R45 I127M41-Y43 PolarHBondContact O-N 3.41Å; Y43-R45 PolarHBondContact O-N 3.33Å; Y43-I127 HydrophobicContact CE1-CB 4.45Å; Y43-I127 HydrophobicContact CE1-CG2 3.71Å; Y43-I127 VanDerWaalsContact OH-CB 3.29Å; Y43-I127 WeakPolarHBondContact OH-CB 3.14Å; Y43-I127 WeakPolarHBondContact OH-CG2 3.24Å
44G61.2Low60.2Low0 Ų055.5 Ų55.50%035%0.348CS..  trans-60.3134.1177.200000111.7M41 L42 A59 L132M41-G44 PolarHBondContact O-N 3.45Å; L42-G44 VanDerWaalsContact C-N 3.35Å; G44-A59 CarbonylContact C-O 3.55Å; G44-A59 VanDerWaalsContact CA-O 3.25Å; G44-A59 WeakPolarHBondContact CA-O 3.23Å; G44-L132 WeakPolarHBondContact O-CD1 3.3Å
45R57.2Low59.8Low165 Ų16553.1 Ų53.162%0.62332%0.322SS*.EExtended strand (participates in β ladder)trans-88.5137.2168-72.4-167.2176.2100.2-0.3109.7Y43 Q58 A59Y43-R45 PolarHBondContact O-N 3.33Å; R45-Q58 PolarHBondContact O-N 3.39Å; R45-A59 HydrophobicContact CB-CB 4.12Å; R45-A59 PolarHBondContact N-O 2.93Å; R45-A59 PolarHBondContact O-N 2.99Å
46V64.1Low59.2Low5 Ų550.9 Ų50.93%0.0331%0.314CS..EExtended strand (participates in β ladder)trans-107.4128.4-175.21780000108.7M41 I55 G56 L132 I136M41-V46 HydrophobicContact CE-CG2 4.29Å; V46-I55 HydrophobicContact CB-CG2 4.46Å; V46-I55 HydrophobicContact CG1-CB 4.44Å; V46-I55 HydrophobicContact CG1-CG2 3Å; V46-G56 CarbonylContact C-O 3.56Å; V46-G56 WeakPolarHBondContact CA-O 3.41Å; V46-G56 WeakPolarHBondContact CG1-O 3.29Å; V46-L132 HydrophobicContact CG2-CD1 3.92Å; V46-I136 HydrophobicContact CB-CG1 4.16Å; V46-I136 HydrophobicContact CG1-CG1 4.46Å; V46-I136 HydrophobicContact CG2-CD1 4.27Å; V46-I136 HydrophobicContact CG2-CG1 3.83Å
47S56.6Low58.9Low40 Ų4052.5 Ų52.528%0.2833%0.325SS..EExtended strand (participates in β ladder)trans-96.3136.7169.650.20000109.9G56S47-G56 PolarHBondContact N-O 3.41Å; S47-G56 PolarHBondContact O-N 3.17Å; S47-G56 PolarHBondContact OG-O 2.73Å
48Y58.9Low58.3Low74 Ų7455.9 Ų55.929%0.2932%0.32SS..EExtended strand (participates in β ladder)trans-106.5120.5173.4174.7-107.5000109.6A50 N53 I55 T139 V140Y48-A50 HydrophobicContact CD1-CB 4.23Å; Y48-A50 HydrophobicContact CE1-CB 3.76Å; Y48-N53 PolarHBondContact OH-OD1 3.27Å; Y48-I55 HydrophobicContact CD2-CG1 4.22Å; Y48-T139 HydrophobicContact CG-CG2 4.46Å; Y48-V140 HydrophobicContact CD2-CG2 4.06Å; Y48-V140 HydrophobicContact CG-CG2 4.36Å
49N62.3Low57.7Low89 Ų8955.4 Ų55.448%0.47631%0.311SS..EExtended strand (participates in β ladder)trans-95.299.8172.2-167.3-26.1000108.7T51 G52 N53 V54N49-T51 PolarHBondContact O-N 3.37Å; N49-T51 PolarHBondContact OD1-N 3.38Å; N49-T51 PolarHBondContact OD1-OG1 2.92Å; N49-G52 PolarHBondContact O-N 3.34Å; N49-N53 PolarHBondContact O-N 3.44Å; N49-N53 VanDerWaalsContact O-N 3.09Å; N49-V54 HydrophobicContact CB-CG2 4.11Å; N49-V54 PolarHBondContact N-O 3Å; N49-V54 PolarHBondContact O-N 2.87Å
50A56.8Low57.4Low74 Ų7454.1 Ų54.161%0.61231%0.309SS*.THydrogen-bonded Turntrans-59.7-27.5-177.800000113.2Y48Y48-A50 HydrophobicContact CD1-CB 4.23Å; Y48-A50 HydrophobicContact CE1-CB 3.76Å
51T54.2Low56.9Low139 Ų13955.4 Ų55.485%0.85332%0.317SS*.THydrogen-bonded Turntrans-75-26.9-177.1-38.50000112.7N49N49-T51 PolarHBondContact O-N 3.37Å; N49-T51 PolarHBondContact OD1-N 3.38Å; N49-T51 PolarHBondContact OD1-OG1 2.92Å
52G54.6Low56.8Low45 Ų4558.4 Ų58.446%0.46434%0.338SS..THydrogen-bonded Turntrans-107.9-5177.700000114.5N49 V54N49-G52 PolarHBondContact O-N 3.34Å; G52-V54 WeakPolarHBondContact O-CG1 3.27Å; G52-V54 PolarHBondContact O-N 3.27Å
53N55.8Low57.1Low77 Ų7760.3 Ų60.341%0.41236%0.356SS..THydrogen-bonded Turntrans50.137.6-168.5-161.920.2000112Y48 N49Y48-N53 PolarHBondContact OH-OD1 3.27Å; N49-N53 PolarHBondContact O-N 3.44Å; N49-N53 VanDerWaalsContact O-N 3.09Å
54V56.1Low57.6Low38 Ų3861 Ų6123%0.2337%0.369CS..EExtended strand (participates in β ladder)trans-120.2139.5-175.8-72.40000110.8N49 G52 V155N49-V54 HydrophobicContact CB-CG2 4.11Å; N49-V54 PolarHBondContact N-O 3Å; N49-V54 PolarHBondContact O-N 2.87Å; G52-V54 WeakPolarHBondContact O-CG1 3.27Å; G52-V54 PolarHBondContact O-N 3.27Å; V54-V155 HydrophobicContact CB-CG2 3.53Å; V54-V155 HydrophobicContact CG1-CG2 4.33Å; V54-V155 HydrophobicContact CG2-CG2 3.57Å
55I58.4Low58.1Low4 Ų463.6 Ų63.62%0.02138%0.383CS..EExtended strand (participates in β ladder)trans-98.6120-178.8-60177.8000108.4V46 Y48 V149 K152 W154 V155V46-I55 HydrophobicContact CB-CG2 4.46Å; V46-I55 HydrophobicContact CG1-CB 4.44Å; V46-I55 HydrophobicContact CG1-CG2 3Å; Y48-I55 HydrophobicContact CD2-CG1 4.22Å; I55-V149 HydrophobicContact CD1-CG1 3.8Å; I55-K152 HydrophobicContact CD1-CB 4.47Å; I55-W154 HydrophobicContact CB-CD2 4.06Å; I55-W154 HydrophobicContact CB-CE3 3.89Å; I55-W154 HydrophobicContact CB-CZ3 4.19Å; I55-W154 HydrophobicContact CG2-CD2 4.15Å; I55-W154 HydrophobicContact CG2-CE3 3.64Å; I55-W154 HydrophobicContact CG2-CH2 3.74Å; I55-W154 HydrophobicContact CG2-CZ2 4.23Å; I55-W154 HydrophobicContact CG2-CZ3 3.41Å; I55-W154 VanDerWaalsContact CG2-CZ3 3.41Å; I55-V155 PolarHBondContact O-N 3.18Å
56G54.6Low58.9Low13 Ų1356.4 Ų56.413%0.13436%0.358CS..EExtended strand (participates in β ladder)trans-107.3161.4177.200000112.4V46 S47V46-G56 CarbonylContact C-O 3.56Å; V46-G56 WeakPolarHBondContact CA-O 3.41Å; V46-G56 WeakPolarHBondContact CG1-O 3.29Å; S47-G56 PolarHBondContact N-O 3.41Å; S47-G56 PolarHBondContact O-N 3.17Å; S47-G56 PolarHBondContact OG-O 2.73Å
57V57Low59.5Low47 Ų4763.9 Ų63.929%0.28539%0.387SS..EExtended strand (participates in β ladder)trans-97.2116.2175.3-174.30000108.2F36 M41 I158F36-V57 HydrophobicContact CD1-CG2 4.26Å; F36-V57 HydrophobicContact CE1-CG2 3.74Å; M41-V57 HydrophobicContact CE-CG1 4.49Å; M41-V57 HydrophobicContact CE-CG2 3.66Å; V57-I158 HydrophobicContact CG2-CD1 4Å
58Q50.8Low60.7Low147 Ų14765.7 Ų65.769%0.68739%0.39SS*.EExtended strand (participates in β ladder)trans-94.7-30-175.6-161.8171.23.600112.8R45R45-Q58 PolarHBondContact O-N 3.39Å
59A49.9Very low61.6Low41 Ų4162.3 Ų62.334%0.33938%0.377SS..EExtended strand (participates in β ladder)trans-146.9126173.600000110G44 R45G44-A59 CarbonylContact C-O 3.55Å; G44-A59 VanDerWaalsContact CA-O 3.25Å; G44-A59 WeakPolarHBondContact CA-O 3.23Å; R45-A59 HydrophobicContact CB-CB 4.12Å; R45-A59 PolarHBondContact N-O 2.93Å; R45-A59 PolarHBondContact O-N 2.99Å
60S53.4Low62.5Low62 Ų6258.8 Ų58.843%0.43436%0.359SS..PPolyproline II helixtrans-85.2147.2165.949.30000109.7
61T56.7Low63.8Low29 Ų2957.9 Ų57.918%0.17835%0.351CS..PPolyproline II helixtrans-76.7160.9171.6-1260000109.9C40 L42 A63 L65C40-T61 HydrophobicContact CB-CG2 4.12Å; C40-T61 PolarHBondContact O-N 2.87Å; L42-T61 WeakPolarHBondContact O-CB 3.38Å; L42-T61 WeakPolarHBondContact O-CG2 3.42Å; L42-T61 PolarHBondContact O-OG1 2.71Å; L42-T61 VanDerWaalsContact O-OG1 3.14Å; T61-A63 PolarHBondContact O-N 3.13Å; T61-L65 HydrophobicContact CG2-CB 4.29Å; T61-L65 HydrophobicContact CG2-CD1 3.98Å
62S59.8Low65.3Low68 Ų6851.9 Ų51.948%0.47631%0.314SS..PPolyproline II helixtrans-52.7122.8172.356.50000111.2S64 L65S62-S64 WeakPolarHBondContact CB-OG 3.28Å; S62-S64 PolarHBondContact O-N 3.5Å; S62-S64 PolarHBondContact OG-OG 3.43Å; S62-L65 PolarHBondContact O-N 3.48Å; S62-L65 VanDerWaalsContact O-N 3.12Å
63A64.5Low66.6Low50 Ų5050 Ų5041%0.41329%0.293SS..Hα-helixtrans-53.5-25.9-178.900000113.4T61 L65 C66 Y67T61-A63 PolarHBondContact O-N 3.13Å; A63-L65 VanDerWaalsContact C-N 3.26Å; A63-L65 PolarHBondContact O-N 2.91Å; A63-C66 PolarHBondContact O-N 3.42Å; A63-Y67 HydrophobicContact CB-CD2 4.3Å; A63-Y67 HydrophobicContact CB-CE2 4.49Å; A63-Y67 WeakPolarHBondContact O-CD2 3.44Å; A63-Y67 PolarHBondContact O-N 3.48Å
64S66.8Low68Low75 Ų7550.4 Ų50.452%0.52430%0.295SS..Hα-helixtrans-52.6-35.9176.453.70000114.3S62 F68S62-S64 WeakPolarHBondContact CB-OG 3.28Å; S62-S64 PolarHBondContact O-N 3.5Å; S62-S64 PolarHBondContact OG-OG 3.43Å; S64-F68 WeakPolarHBondContact O-CB 3.32Å; S64-F68 PolarHBondContact O-N 3.36Å
65L70.6Confident69.5Low54 Ų5452.3 Ų52.328%0.28330%0.302SS..Hα-helixtrans-70.4-43.8-178.6-69175.6000111.9T61 S62 A63 F68 V69T61-L65 HydrophobicContact CG2-CB 4.29Å; T61-L65 HydrophobicContact CG2-CD1 3.98Å; S62-L65 PolarHBondContact O-N 3.48Å; S62-L65 VanDerWaalsContact O-N 3.12Å; A63-L65 VanDerWaalsContact C-N 3.26Å; A63-L65 PolarHBondContact O-N 2.91Å; L65-F68 PolarHBondContact O-N 3.03Å; L65-V69 WeakPolarHBondContact O-CG2 3.38Å; L65-V69 PolarHBondContact O-N 3.31Å
66C74.4Confident70.8Confident14 Ų1452.1 Ų52.110%0.09530%0.301CS..Hα-helixtrans-64.9-42.6174.1-100.80000112.3Q33 C40 A63 F68 V69 S70Q33-C66 VanDerWaalsContact NE2-CB 3.29Å; C40-C66 VanDerWaalsContact CA-SG 3.55Å; C40-C66 HydrophobicContact CB-CB 3.4Å; C40-C66 VanDerWaalsContact CB-CB 3.4Å; C40-C66 WeakPolarHBondContact CB-SG 3.19Å; C40-C66 WeakPolarHBondContact SG-CB 3.28Å; C40-C66 CovalentContact SG-SG 2.02Å; C40-C66 PolarHBondContact SG-SG 3.36Å; A63-C66 PolarHBondContact O-N 3.42Å; C66-F68 VanDerWaalsContact C-N 3.29Å; C66-F68 PolarHBondContact O-N 3.17Å; C66-V69 PolarHBondContact O-N 2.97Å; C66-S70 VanDerWaalsContact O-CB 3.26Å; C66-S70 WeakPolarHBondContact O-CB 3.46Å; C66-S70 PolarHBondContact O-N 2.99Å
67Y77.6Confident72.2Confident162 Ų16252 Ų5264%0.63530%0.299SS*.Hα-helixtrans-61-41.3176.5-92-74.6000111.1A63 A71A63-Y67 HydrophobicContact CB-CD2 4.3Å; A63-Y67 HydrophobicContact CB-CE2 4.49Å; A63-Y67 WeakPolarHBondContact O-CD2 3.44Å; A63-Y67 PolarHBondContact O-N 3.48Å; Y67-A71 WeakPolarHBondContact O-CB 3.49Å; Y67-A71 PolarHBondContact O-N 3.29Å
68F80.5Confident73.7Confident78 Ų7854 Ų5434%0.34231%0.311SS..Hα-helixtrans-60.4-52.2174.9178.8-102.1000111.9S64 L65 C66 S70 A71 I72 F117 I120 T121S64-F68 WeakPolarHBondContact O-CB 3.32Å; S64-F68 PolarHBondContact O-N 3.36Å; L65-F68 PolarHBondContact O-N 3.03Å; C66-F68 VanDerWaalsContact C-N 3.29Å; C66-F68 PolarHBondContact O-N 3.17Å; F68-S70 PolarHBondContact O-N 3.37Å; F68-A71 PolarHBondContact O-N 2.98Å; F68-I72 HydrophobicContact CD2-CG1 4.34Å; F68-I72 HydrophobicContact CE1-CG1 4.3Å; F68-I72 HydrophobicContact CE2-CD1 4.26Å; F68-I72 HydrophobicContact CE2-CG1 4.04Å; F68-I72 HydrophobicContact CZ-CD1 4.45Å; F68-I72 HydrophobicContact CZ-CG1 4.03Å; F68-I72 WeakPolarHBondContact O-CB 3.29Å; F68-I72 VanDerWaalsContact O-CG1 3.28Å; F68-I72 WeakPolarHBondContact O-CG1 3.31Å; F68-I72 PolarHBondContact O-N 3.23Å; F68-F117 HydrophobicContact CE2-CD1 4.44Å; F68-F117 HydrophobicContact CE2-CE1 4.39Å; F68-F117 AromaticContact CZ-CD1 3.93Å; F68-F117 HydrophobicContact CZ-CD1 3.93Å; F68-F117 HydrophobicContact CZ-CE1 4.23Å; F68-I120 HydrophobicContact CE1-CG2 4.05Å; F68-T121 HydrophobicContact CD1-CG2 4.33Å; F68-T121 HydrophobicContact CE1-CG2 4.01Å
69V78.1Confident75.4Confident3 Ų349 Ų492%0.01829%0.29CS..Hα-helixtrans-63.1-41.6-179.1179.50000111.7L29 L65 C66 S73 T121 L125L29-V69 HydrophobicContact CD1-CB 4.42Å; L29-V69 HydrophobicContact CD1-CG1 3.52Å; L65-V69 WeakPolarHBondContact O-CG2 3.38Å; L65-V69 PolarHBondContact O-N 3.31Å; C66-V69 PolarHBondContact O-N 2.97Å; V69-S73 WeakPolarHBondContact O-CB 3.05Å; V69-S73 PolarHBondContact O-N 3.45Å; V69-S73 VanDerWaalsContact O-N 3.1Å; V69-S73 PolarHBondContact O-OG 2.9Å; V69-T121 HydrophobicContact CB-CG2 4.33Å; V69-T121 HydrophobicContact CG1-CG2 4.25Å; V69-T121 HydrophobicContact CG2-CG2 4.07Å; V69-L125 HydrophobicContact CG1-CD1 4.25Å; V69-L125 HydrophobicContact CG1-CD2 4.37Å; V69-L125 HydrophobicContact CG1-CG 4.38Å
70S81.4Confident77Confident14 Ų1447 Ų4710%0.09827%0.274CS..Hα-helixtrans-65.4-47.7177.2-177.30000111.7C66 F68 I72 S73 I74C66-S70 VanDerWaalsContact O-CB 3.26Å; C66-S70 WeakPolarHBondContact O-CB 3.46Å; C66-S70 PolarHBondContact O-N 2.99Å; F68-S70 PolarHBondContact O-N 3.37Å; S70-I72 PolarHBondContact O-N 3.42Å; S70-S73 PolarHBondContact O-N 2.88Å; S70-S73 VanDerWaalsContact O-N 3.17Å; S70-I74 WeakPolarHBondContact O-CG1 3.47Å; S70-I74 PolarHBondContact O-N 3Å
71A84.6Confident78.6Confident55 Ų5549.3 Ų49.346%0.45528%0.276SS..Hα-helixtrans-61-44.1179.600000112.2Y67 F68 S73 I74 M75Y67-A71 WeakPolarHBondContact O-CB 3.49Å; Y67-A71 PolarHBondContact O-N 3.29Å; F68-A71 PolarHBondContact O-N 2.98Å; A71-S73 VanDerWaalsContact C-N 3.34Å; A71-S73 PolarHBondContact O-N 3.25Å; A71-I74 PolarHBondContact O-N 3.46Å; A71-M75 VanDerWaalsContact O-CB 3.3Å; A71-M75 WeakPolarHBondContact O-CB 3.36Å; A71-M75 PolarHBondContact O-N 2.88Å
72I85.6Confident80.1Confident14 Ų1451 Ų517%0.07229%0.289CS..Hα-helixtrans-61.7-43.6175.6-67.5-59.3000110.9F68 S70 I74 M75 V76 F117 T121F68-I72 HydrophobicContact CD2-CG1 4.34Å; F68-I72 HydrophobicContact CE1-CG1 4.3Å; F68-I72 HydrophobicContact CE2-CD1 4.26Å; F68-I72 HydrophobicContact CE2-CG1 4.04Å; F68-I72 HydrophobicContact CZ-CD1 4.45Å; F68-I72 HydrophobicContact CZ-CG1 4.03Å; F68-I72 WeakPolarHBondContact O-CB 3.29Å; F68-I72 VanDerWaalsContact O-CG1 3.28Å; F68-I72 WeakPolarHBondContact O-CG1 3.31Å; F68-I72 PolarHBondContact O-N 3.23Å; S70-I72 PolarHBondContact O-N 3.42Å; I72-I74 PolarHBondContact O-N 3.05Å; I72-M75 HydrophobicContact CD1-CE 4.16Å; I72-M75 PolarHBondContact O-N 3.25Å; I72-V76 HydrophobicContact CG2-CG2 4.32Å; I72-V76 WeakPolarHBondContact O-CG2 3.37Å; I72-V76 PolarHBondContact O-N 3.46Å; I72-F117 HydrophobicContact CD1-CB 4.16Å; I72-F117 HydrophobicContact CD1-CD1 3.8Å; I72-F117 HydrophobicContact CD1-CD2 4.32Å; I72-F117 HydrophobicContact CD1-CE1 4.24Å; I72-F117 HydrophobicContact CD1-CG 3.86Å; I72-F117 HydrophobicContact CG1-CD1 4.44Å; I72-F117 HydrophobicContact CG2-CB 3.85Å; I72-T121 HydrophobicContact CB-CG2 4.18Å; I72-T121 HydrophobicContact CG1-CG2 4.43Å; I72-T121 HydrophobicContact CG2-CG2 4.06Å
73S82.5Confident81.2Confident4 Ų448.3 Ų48.33%0.02827%0.269CS..Hα-helixtrans-63.2-42.6179.9-57.30000112V69 S70 A71 A77V69-S73 WeakPolarHBondContact O-CB 3.05Å; V69-S73 PolarHBondContact O-N 3.45Å; V69-S73 VanDerWaalsContact O-N 3.1Å; V69-S73 PolarHBondContact O-OG 2.9Å; S70-S73 PolarHBondContact O-N 2.88Å; S70-S73 VanDerWaalsContact O-N 3.17Å; A71-S73 VanDerWaalsContact C-N 3.34Å; A71-S73 PolarHBondContact O-N 3.25Å; S73-A77 WeakPolarHBondContact O-CB 3.32Å; S73-A77 PolarHBondContact O-N 3.31Å
74I85.6Confident82.1Confident87 Ų8746.9 Ų46.945%0.44626%0.256SS..Hα-helixtrans-66-46.1176.3-66.1166.4000110.7A26 S70 A71 I72 V76 A77 V78A26-I74 HydrophobicContact CB-CG1 4.29Å; S70-I74 WeakPolarHBondContact O-CG1 3.47Å; S70-I74 PolarHBondContact O-N 3Å; A71-I74 PolarHBondContact O-N 3.46Å; I72-I74 PolarHBondContact O-N 3.05Å; I74-V76 VanDerWaalsContact C-N 3.32Å; I74-V76 PolarHBondContact O-N 3.36Å; I74-A77 PolarHBondContact O-N 3.48Å; I74-A77 VanDerWaalsContact O-N 3.15Å; I74-V78 HydrophobicContact CG2-CG2 4.27Å; I74-V78 WeakPolarHBondContact O-CG2 3.26Å; I74-V78 PolarHBondContact O-N 3.27Å
75M86.9Confident82.9Confident78 Ų7846.9 Ų46.938%0.38425%0.253SS..Hα-helixtrans-59.7-43.9179.4-174-171.373.600111.3A71 I72 V78 V79 F114A71-M75 VanDerWaalsContact O-CB 3.3Å; A71-M75 WeakPolarHBondContact O-CB 3.36Å; A71-M75 PolarHBondContact O-N 2.88Å; I72-M75 HydrophobicContact CD1-CE 4.16Å; I72-M75 PolarHBondContact O-N 3.25Å; M75-V78 PolarHBondContact O-N 3.48Å; M75-V79 WeakPolarHBondContact O-CG2 2.87Å; M75-V79 PolarHBondContact O-N 3.27Å; M75-F114 HydrophobicContact CE-CD1 4.18Å; M75-F114 HydrophobicContact CE-CE1 3.57Å
76V84.9Confident83.5Confident0 Ų049.5 Ų49.50%026%0.26CS..Hα-helixtrans-60.4-47.2174.6176.50000110.5I72 I74 V78 V79 C80 F114 L118I72-V76 HydrophobicContact CG2-CG2 4.32Å; I72-V76 WeakPolarHBondContact O-CG2 3.37Å; I72-V76 PolarHBondContact O-N 3.46Å; I74-V76 VanDerWaalsContact C-N 3.32Å; I74-V76 PolarHBondContact O-N 3.36Å; V76-V78 PolarHBondContact O-N 2.9Å; V76-V79 PolarHBondContact O-N 3.49Å; V76-C80 WeakPolarHBondContact O-CB 3.45Å; V76-C80 PolarHBondContact O-N 2.93Å; V76-C80 PolarHBondContact O-SG 2.83Å; V76-F114 HydrophobicContact CB-CD1 4.34Å; V76-F114 HydrophobicContact CB-CE1 4.16Å; V76-F114 HydrophobicContact CG2-CD1 3.37Å; V76-F114 HydrophobicContact CG2-CE1 3.52Å; V76-F114 HydrophobicContact CG2-CG 4.29Å; V76-L118 HydrophobicContact CG2-CD2 4.32Å
77A83.9Confident83.7Confident10 Ų1049.6 Ų49.68%0.08326%0.258CS..Hα-helixtrans-61-44.9-179.700000112.4F19 S73 I74 V79 C80 F81F19-A77 HydrophobicContact CD2-CB 4.38Å; F19-A77 WeakPolarHBondContact CD2-O 3.42Å; S73-A77 WeakPolarHBondContact O-CB 3.32Å; S73-A77 PolarHBondContact O-N 3.31Å; I74-A77 PolarHBondContact O-N 3.48Å; I74-A77 VanDerWaalsContact O-N 3.15Å; A77-V79 PolarHBondContact O-N 3.1Å; A77-C80 PolarHBondContact O-N 3.01Å; A77-F81 WeakPolarHBondContact O-CB 3.43Å; A77-F81 PolarHBondContact O-N 2.94Å
78V88.4Confident83.8Confident89 Ų8945 Ų4554%0.53925%0.247SC..Hα-helixtrans-62.4-43178.3171.90000111.2I74 M75 V76 F81 S82I74-V78 HydrophobicContact CG2-CG2 4.27Å; I74-V78 WeakPolarHBondContact O-CG2 3.26Å; I74-V78 PolarHBondContact O-N 3.27Å; M75-V78 PolarHBondContact O-N 3.48Å; V76-V78 PolarHBondContact O-N 2.9Å; V78-F81 PolarHBondContact O-N 3.25Å; V78-S82 PolarHBondContact O-N 3.33Å; V78-S82 PolarHBondContact O-OG 3.29Å
79V86.7Confident83.9Confident41 Ų4148.1 Ų48.125%0.24826%0.257CS..Hα-helixtrans-69.4-40.5178.8173.30000111.6M75 V76 A77 F81 S82 L83 F114M75-V79 WeakPolarHBondContact O-CG2 2.87Å; M75-V79 PolarHBondContact O-N 3.27Å; V76-V79 PolarHBondContact O-N 3.49Å; A77-V79 PolarHBondContact O-N 3.1Å; V79-F81 VanDerWaalsContact C-N 3.3Å; V79-F81 PolarHBondContact O-N 3.34Å; V79-S82 WeakPolarHBondContact CA-OG 3.49Å; V79-S82 PolarHBondContact O-N 3.45Å; V79-S82 PolarHBondContact O-OG 3.08Å; V79-L83 HydrophobicContact CG1-CD1 3.81Å; V79-L83 HydrophobicContact CG1-CG 4.35Å; V79-L83 WeakPolarHBondContact O-CB 3.24Å; V79-L83 WeakPolarHBondContact O-CD1 3.35Å; V79-L83 VanDerWaalsContact O-CG 3.24Å; V79-L83 WeakPolarHBondContact O-CG 3.26Å; V79-L83 PolarHBondContact O-N 3.39Å; V79-F114 HydrophobicContact CB-CE2 4.16Å; V79-F114 HydrophobicContact CB-CZ 3.69Å; V79-F114 HydrophobicContact CG1-CE2 3.67Å; V79-F114 HydrophobicContact CG1-CZ 3.7Å; V79-F114 HydrophobicContact CG2-CZ 3.91Å
80C85.1Confident83.7Confident0 Ų048.2 Ų48.20%026%0.259CS..Hα-helixtrans-61.7-39.3173.5-70.90000111.9C18 F19 V76 A77 S84C18-C80 HydrophobicContact CB-CB 4.42Å; F19-C80 HydrophobicContact CB-CB 4.29Å; V76-C80 WeakPolarHBondContact O-CB 3.45Å; V76-C80 PolarHBondContact O-N 2.93Å; V76-C80 PolarHBondContact O-SG 2.83Å; A77-C80 PolarHBondContact O-N 3.01Å; C80-S84 WeakPolarHBondContact O-CB 3.27Å; C80-S84 PolarHBondContact O-N 2.88Å; C80-S84 PolarHBondContact O-OG 2.74Å
81F85.8Confident83.3Confident111 Ų11154.3 Ų54.349%0.48728%0.284SS..Hα-helixtrans-65.5-48.6176.7-176.9-101.3000111.9F19 A77 V78 V79 L83 S84 V85F19-F81 HydrophobicContact CD2-CB 3.84Å; F19-F81 HydrophobicContact CD2-CD2 4.32Å; F19-F81 HydrophobicContact CE1-CD2 4.4Å; F19-F81 HydrophobicContact CE2-CB 3.77Å; F19-F81 AromaticContact CE2-CD2 3.82Å; F19-F81 HydrophobicContact CE2-CD2 3.82Å; F19-F81 HydrophobicContact CE2-CG 4.09Å; F19-F81 AromaticContact CZ-CD2 3.83Å; F19-F81 HydrophobicContact CZ-CD2 3.83Å; F19-F81 HydrophobicContact CZ-CE2 4.49Å; A77-F81 WeakPolarHBondContact O-CB 3.43Å; A77-F81 PolarHBondContact O-N 2.94Å; V78-F81 PolarHBondContact O-N 3.25Å; V79-F81 VanDerWaalsContact C-N 3.3Å; V79-F81 PolarHBondContact O-N 3.34Å; F81-L83 VanDerWaalsContact C-N 3.34Å; F81-L83 PolarHBondContact O-N 3.28Å; F81-S84 WeakPolarHBondContact O-CB 3.38Å; F81-S84 PolarHBondContact O-N 2.86Å; F81-V85 HydrophobicContact CD1-CG2 4.36Å; F81-V85 HydrophobicContact CE1-CG2 3.96Å; F81-V85 HydrophobicContact CE2-CG2 4.28Å; F81-V85 HydrophobicContact CZ-CG2 3.91Å; F81-V85 WeakPolarHBondContact O-CG2 3.21Å; F81-V85 PolarHBondContact O-N 2.93Å
82S87.4Confident83Confident63 Ų6356.2 Ų56.244%0.44129%0.293SS..Hα-helixtrans-62.9-40.6179.963.90000112.3V78 V79 V85 Y86V78-S82 PolarHBondContact O-N 3.33Å; V78-S82 PolarHBondContact O-OG 3.29Å; V79-S82 WeakPolarHBondContact CA-OG 3.49Å; V79-S82 PolarHBondContact O-N 3.45Å; V79-S82 PolarHBondContact O-OG 3.08Å; S82-V85 PolarHBondContact O-N 3.43Å; S82-Y86 VanDerWaalsContact O-CB 3.31Å; S82-Y86 WeakPolarHBondContact O-CB 3.43Å; S82-Y86 PolarHBondContact O-N 3Å
83L83Confident82.3Confident13 Ų1361.5 Ų61.57%0.06832%0.319CS..Hα-helixtrans-62.3-44.2173.4-73.8167.2000111.8Y15 V79 F81 V85 Y86 W87 W103 M107Y15-L83 HydrophobicContact CE1-CD1 4.13Å; V79-L83 HydrophobicContact CG1-CD1 3.81Å; V79-L83 HydrophobicContact CG1-CG 4.35Å; V79-L83 WeakPolarHBondContact O-CB 3.24Å; V79-L83 WeakPolarHBondContact O-CD1 3.35Å; V79-L83 VanDerWaalsContact O-CG 3.24Å; V79-L83 WeakPolarHBondContact O-CG 3.26Å; V79-L83 PolarHBondContact O-N 3.39Å; F81-L83 VanDerWaalsContact C-N 3.34Å; F81-L83 PolarHBondContact O-N 3.28Å; L83-V85 PolarHBondContact O-N 3.26Å; L83-Y86 PolarHBondContact O-N 2.63Å; L83-W87 PolarHBondContact O-N 3.33Å; L83-W103 HydrophobicContact CD2-CH2 4.3Å; L83-W103 HydrophobicContact CD2-CZ2 3.84Å; L83-M107 HydrophobicContact CD1-CE 3.77Å; L83-M107 HydrophobicContact CD1-SD 4.36Å; L83-M107 HydrophobicContact CD2-CE 3.7Å; L83-M107 HydrophobicContact CD2-SD 3.71Å; L83-M107 HydrophobicContact CG-CE 4.34Å
84S83.4Confident81.3Confident19 Ų1966.8 Ų66.813%0.13334%0.343CS..Hα-helixtrans-59.8-47.2178.4-59.20000111.2Y15 C80 F81 W87 V88Y15-S84 WeakPolarHBondContact CB-OG 3.41Å; C80-S84 WeakPolarHBondContact O-CB 3.27Å; C80-S84 PolarHBondContact O-N 2.88Å; C80-S84 PolarHBondContact O-OG 2.74Å; F81-S84 WeakPolarHBondContact O-CB 3.38Å; F81-S84 PolarHBondContact O-N 2.86Å; S84-W87 PolarHBondContact O-N 3.17Å; S84-V88 VanDerWaalsContact O-CG2 3.29Å; S84-V88 WeakPolarHBondContact O-CG2 3.2Å; S84-V88 PolarHBondContact O-N 3.04Å
85V85.1Confident79.9Confident76 Ų7666.8 Ų66.846%0.46137%0.365SS..Hα-helixtrans-64.7-42.9177.8175.30000111.2F81 S82 L83 W87 V88 Y89F81-V85 HydrophobicContact CD1-CG2 4.36Å; F81-V85 HydrophobicContact CE1-CG2 3.96Å; F81-V85 HydrophobicContact CE2-CG2 4.28Å; F81-V85 HydrophobicContact CZ-CG2 3.91Å; F81-V85 WeakPolarHBondContact O-CG2 3.21Å; F81-V85 PolarHBondContact O-N 2.93Å; S82-V85 PolarHBondContact O-N 3.43Å; L83-V85 PolarHBondContact O-N 3.26Å; V85-W87 PolarHBondContact O-N 3.23Å; V85-V88 PolarHBondContact O-N 3.43Å; V85-Y89 WeakPolarHBondContact O-CB 3.22Å; V85-Y89 PolarHBondContact O-N 2.92Å
86Y82.4Confident78.2Confident108 Ų10870.7 Ų70.742%0.42438%0.382SS..Hα-helixtrans-58.8-45.6177.1174.4-99.5000111.9S82 L83 Y89 A90 W103S82-Y86 VanDerWaalsContact O-CB 3.31Å; S82-Y86 WeakPolarHBondContact O-CB 3.43Å; S82-Y86 PolarHBondContact O-N 3Å; L83-Y86 PolarHBondContact O-N 2.63Å; Y86-Y89 PolarHBondContact O-N 2.87Å; Y86-A90 WeakPolarHBondContact O-CB 3.24Å; Y86-A90 PolarHBondContact O-N 3.49Å; Y86-W103 HydrophobicContact CD1-CH2 4.25Å; Y86-W103 AromaticContact CD1-CZ2 3.74Å; Y86-W103 HydrophobicContact CD1-CZ2 3.74Å; Y86-W103 AromaticContact CE1-CE2 3.91Å; Y86-W103 HydrophobicContact CE1-CH2 4.04Å; Y86-W103 AromaticContact CE1-CZ2 3.55Å; Y86-W103 HydrophobicContact CE1-CZ2 3.55Å
87W78.1Confident76.9Confident16 Ų1673.3 Ų73.36%0.06140%0.395CS..Hα-helixtrans-66.9-39.4178.2-81113.9000112.9L8 L12 Y15 L83 S84 V85 F91 L97 R99 W103L8-W87 HydrophobicContact CD1-CE3 3.85Å; L8-W87 HydrophobicContact CD1-CH2 4.21Å; L8-W87 HydrophobicContact CD1-CZ3 3.54Å; L8-W87 HydrophobicContact CG-CE3 4.4Å; L12-W87 HydrophobicContact CD1-CB 4.42Å; Y15-W87 AromaticContact CE2-CD1 3.94Å; Y15-W87 AromaticContact CE2-NE1 3.84Å; L83-W87 PolarHBondContact O-N 3.33Å; S84-W87 PolarHBondContact O-N 3.17Å; V85-W87 PolarHBondContact O-N 3.23Å; W87-F91 VanDerWaalsContact O-CB 3.3Å; W87-F91 WeakPolarHBondContact O-CB 3.44Å; W87-F91 PolarHBondContact O-N 2.96Å; W87-L97 HydrophobicContact CZ3-CD2 4.39Å; W87-R99 HydrophobicContact CH2-CG 4.09Å; W87-W103 AromaticContact CE2-NE1 3.98Å; W87-W103 AromaticContact CZ2-CD1 3.92Å; W87-W103 AromaticContact CZ2-NE1 3.43Å
88V81.3Confident75.6Confident67 Ų6782.4 Ų82.441%0.40643%0.428SS..Hα-helixtrans-64-43.7174170.90000110.6L12 S84 V85 F91 C92L12-V88 HydrophobicContact CD1-CG2 3.99Å; L12-V88 HydrophobicContact CD2-CG2 4.21Å; S84-V88 VanDerWaalsContact O-CG2 3.29Å; S84-V88 WeakPolarHBondContact O-CG2 3.2Å; S84-V88 PolarHBondContact O-N 3.04Å; V85-V88 PolarHBondContact O-N 3.43Å; V88-F91 PolarHBondContact O-N 2.88Å; V88-C92 WeakPolarHBondContact O-CB 3.44Å; V88-C92 PolarHBondContact O-N 3.29Å; V88-C92 PolarHBondContact O-SG 2.88Å
89Y80.9Confident74.4Confident142 Ų14280.7 Ų80.756%0.55741%0.412SS*.Hα-helixtrans-61.3-48.5176.9176.5-95.9000111.6V85 Y86 F91 C92 M93V85-Y89 WeakPolarHBondContact O-CB 3.22Å; V85-Y89 PolarHBondContact O-N 2.92Å; Y86-Y89 PolarHBondContact O-N 2.87Å; Y89-F91 VanDerWaalsContact C-N 3.29Å; Y89-F91 PolarHBondContact O-N 3.33Å; Y89-C92 PolarHBondContact O-N 3.27Å; Y89-C92 VanDerWaalsContact O-N 3.14Å; Y89-M93 HydrophobicContact CD2-CG 3.99Å; Y89-M93 HydrophobicContact CE1-CB 4.33Å; Y89-M93 HydrophobicContact CE1-CG 4.19Å; Y89-M93 HydrophobicContact CE2-CG 3.55Å; Y89-M93 HydrophobicContact CG-CG 4.49Å; Y89-M93 WeakPolarHBondContact O-CB 3.31Å; Y89-M93 PolarHBondContact O-N 3.37Å
90A75Confident73.4Confident5 Ų584.4 Ų84.44%0.04143%0.426CS..Hα-helixtrans-59.8-40.6176.600000111.4Y86 C92 E94 L97Y86-A90 WeakPolarHBondContact O-CB 3.24Å; Y86-A90 PolarHBondContact O-N 3.49Å; A90-C92 VanDerWaalsContact C-N 3.35Å; A90-C92 PolarHBondContact O-N 3.28Å; A90-E94 WeakPolarHBondContact O-CA 3.27Å; A90-E94 WeakPolarHBondContact O-CB 3.45Å; A90-E94 PolarHBondContact O-N 3.44Å; A90-L97 HydrophobicContact CB-CD2 3.74Å
91F72.8Confident72.6Confident143 Ų14389.6 Ų89.663%0.62745%0.446SS*.Hα-helixtrans-64.3-36.6175.6-177.8-97.4000113.2L8 W87 V88 Y89L8-F91 HydrophobicContact CD2-CD2 4.22Å; W87-F91 VanDerWaalsContact O-CB 3.3Å; W87-F91 WeakPolarHBondContact O-CB 3.44Å; W87-F91 PolarHBondContact O-N 2.96Å; V88-F91 PolarHBondContact O-N 2.88Å; Y89-F91 VanDerWaalsContact C-N 3.29Å; Y89-F91 PolarHBondContact O-N 3.33Å
92C77.5Confident72Confident95 Ų9589 Ų8964%0.64245%0.451SS*.Hα-helixtrans-78.9-33.4179.8-70.80000113.5V88 Y89 A90V88-C92 WeakPolarHBondContact O-CB 3.44Å; V88-C92 PolarHBondContact O-N 3.29Å; V88-C92 PolarHBondContact O-SG 2.88Å; Y89-C92 PolarHBondContact O-N 3.27Å; Y89-C92 VanDerWaalsContact O-N 3.14Å; A90-C92 VanDerWaalsContact C-N 3.35Å; A90-C92 PolarHBondContact O-N 3.28Å
93M72.1Confident71.7Confident125 Ų12589.4 Ų89.462%0.61644%0.443SS*.Hα-helixtrans-101.7-23.7-172.5-68.9-68.2-66.200114Y89Y89-M93 HydrophobicContact CD2-CG 3.99Å; Y89-M93 HydrophobicContact CE1-CB 4.33Å; Y89-M93 HydrophobicContact CE1-CG 4.19Å; Y89-M93 HydrophobicContact CE2-CG 3.55Å; Y89-M93 HydrophobicContact CG-CG 4.49Å; Y89-M93 WeakPolarHBondContact O-CB 3.31Å; Y89-M93 PolarHBondContact O-N 3.37Å
94E61.3Low71.5Confident114 Ų11489 Ų8953%0.53344%0.44SS..  trans-123.9114.1-178.7-71.3175.8168.200111.2A90 E96A90-E94 WeakPolarHBondContact O-CA 3.27Å; A90-E94 WeakPolarHBondContact O-CB 3.45Å; A90-E94 PolarHBondContact O-N 3.44Å; E94-E96 PolarHBondContact O-N 3.27Å
95G55.4Low71.5Confident88 Ų8891 Ų9191%0.90745%0.45SS*.SBendtrans-71.5-11.6172.100000114.1
96E52.4Low71.5Confident160 Ų16090.6 Ų90.675%0.74845%0.447SS*.SBendtrans-12488.7177.1-69.3-165.1167.200110.6E94 R98E94-E96 PolarHBondContact O-N 3.27Å; E96-R98 PolarHBondContact O-N 3.37Å
97L56.3Low71.6Confident54 Ų5485.7 Ų85.728%0.28343%0.428SS..  trans-67.176.5171-64.8169.2000110.1L8 W87 A90 R99L8-L97 HydrophobicContact CD1-CD1 3.75Å; L8-L97 HydrophobicContact CD2-CD1 3.53Å; L8-L97 HydrophobicContact CG-CD1 4.28Å; W87-L97 HydrophobicContact CZ3-CD2 4.39Å; A90-L97 HydrophobicContact CB-CD2 3.74Å; L97-R99 VanDerWaalsContact C-N 3.28Å; L97-R99 PolarHBondContact O-N 2.9Å
98R57.7Low72Confident202 Ų20286.9 Ų86.976%0.76244%0.437SS*.  trans-7290.1170.3-95.9-17959.4153.5-5.4108.5E96 E100E96-R98 PolarHBondContact O-N 3.37Å; R98-E100 VanDerWaalsContact C-N 3.35Å; R98-E100 PolarHBondContact O-N 2.95Å
99R62.9Low72.4Confident53 Ų5388.1 Ų88.120%0.245%0.445CS..  trans-67.192.8178.6-149.1161.283122.822.6110.2E11 W87 L97 L104 Q191E11-R99 IonicContact OE2-NH1 3.04Å; E11-R99 PolarHBondContact OE2-NH1 3.32Å; W87-R99 HydrophobicContact CH2-CG 4.09Å; L97-R99 VanDerWaalsContact C-N 3.28Å; L97-R99 PolarHBondContact O-N 2.9Å; R99-L104 HydrophobicContact CG-CD2 3.76Å; R99-L104 HydrophobicContact CG-CG 4.28Å; R99-L104 VanDerWaalsContact NH2-CD1 3.28Å; R99-Q191 VanDerWaalsContact CZ-NE2 3.33Å
100E65.9Low72.8Confident118 Ų11883.1 Ų83.155%0.55143%0.429SS*.  trans-62.4140-176.6-70.2-160.9144.200111.2R98 V102 W103 L104R98-E100 VanDerWaalsContact C-N 3.35Å; R98-E100 PolarHBondContact O-N 2.95Å; E100-V102 PolarHBondContact O-N 3.28Å; E100-V102 VanDerWaalsContact O-N 3.1Å; E100-W103 WeakPolarHBondContact O-CB 3.49Å; E100-W103 PolarHBondContact O-N 3.47Å; E100-L104 PolarHBondContact O-N 3.33Å
101R68Low73.4Confident110 Ų11083.1 Ų83.142%0.41543%0.429SS..Hα-helixtrans-55.2-30.7176.6-178177.4-71.2-156.7-5.7112L104 N105R101-L104 PolarHBondContact O-N 2.68Å; R101-N105 PolarHBondContact O-N 3.49Å; R101-N105 VanDerWaalsContact O-N 3.12Å
102V72.9Confident74.2Confident97 Ų9778.1 Ų78.159%0.58842%0.417SS*.Hα-helixtrans-64.2-50175.8-178.20000110.5E100 L104 N105 V106E100-V102 PolarHBondContact O-N 3.28Å; E100-V102 VanDerWaalsContact O-N 3.1Å; V102-L104 VanDerWaalsContact C-N 3.27Å; V102-L104 PolarHBondContact O-N 3.4Å; V102-N105 PolarHBondContact O-N 2.91Å; V102-N105 VanDerWaalsContact O-N 3.12Å; V102-V106 WeakPolarHBondContact O-CG2 3.29Å; V102-V106 PolarHBondContact O-N 3.35Å
103W81.3Confident74.9Confident72 Ų7277.5 Ų77.527%0.27341%0.407SS..Hα-helixtrans-56.1-41.6176.9-168.2-115000111.9L83 Y86 W87 E100 N105 V106 M107L83-W103 HydrophobicContact CD2-CH2 4.3Å; L83-W103 HydrophobicContact CD2-CZ2 3.84Å; Y86-W103 HydrophobicContact CD1-CH2 4.25Å; Y86-W103 AromaticContact CD1-CZ2 3.74Å; Y86-W103 HydrophobicContact CD1-CZ2 3.74Å; Y86-W103 AromaticContact CE1-CE2 3.91Å; Y86-W103 HydrophobicContact CE1-CH2 4.04Å; Y86-W103 AromaticContact CE1-CZ2 3.55Å; Y86-W103 HydrophobicContact CE1-CZ2 3.55Å; W87-W103 AromaticContact CE2-NE1 3.98Å; W87-W103 AromaticContact CZ2-CD1 3.92Å; W87-W103 AromaticContact CZ2-NE1 3.43Å; E100-W103 WeakPolarHBondContact O-CB 3.49Å; E100-W103 PolarHBondContact O-N 3.47Å; W103-N105 PolarHBondContact O-N 3.36Å; W103-V106 PolarHBondContact O-N 3.02Å; W103-M107 HydrophobicContact CZ2-SD 4.28Å; W103-M107 VanDerWaalsContact O-CG 3.27Å; W103-M107 WeakPolarHBondContact O-CG 3.26Å; W103-M107 PolarHBondContact O-N 2.98Å
104L79.5Confident75.7Confident4 Ų472 Ų722%0.02138%0.379CS..Hα-helixtrans-66.1-38.7177.7-58.5-169.9000114R99 E100 R101 V102 V106 M107 V108 V188 K192R99-L104 HydrophobicContact CG-CD2 3.76Å; R99-L104 HydrophobicContact CG-CG 4.28Å; R99-L104 VanDerWaalsContact NH2-CD1 3.28Å; E100-L104 PolarHBondContact O-N 3.33Å; R101-L104 PolarHBondContact O-N 2.68Å; V102-L104 VanDerWaalsContact C-N 3.27Å; V102-L104 PolarHBondContact O-N 3.4Å; L104-V106 VanDerWaalsContact C-N 3.34Å; L104-M107 PolarHBondContact O-N 2.93Å; L104-V108 VanDerWaalsContact O-CG2 3.31Å; L104-V108 WeakPolarHBondContact O-CG2 3.48Å; L104-V108 PolarHBondContact O-N 3.33Å; L104-V188 HydrophobicContact CB-CG1 4.4Å; L104-V188 HydrophobicContact CD2-CG1 4.27Å; L104-K192 HydrophobicContact CD1-CB 4.33Å
105N82.4Confident77.1Confident63 Ų6367.9 Ų67.934%0.33736%0.361SS..Hα-helixtrans-64.9-42.3174.8-74.3-17.6000111.2R101 V102 W103 V108 V109 K192R101-N105 PolarHBondContact O-N 3.49Å; R101-N105 VanDerWaalsContact O-N 3.12Å; V102-N105 PolarHBondContact O-N 2.91Å; V102-N105 VanDerWaalsContact O-N 3.12Å; W103-N105 PolarHBondContact O-N 3.36Å; N105-V108 PolarHBondContact O-N 3.44Å; N105-V109 WeakPolarHBondContact O-CG2 3.4Å; N105-V109 PolarHBondContact O-N 2.98Å; N105-V109 VanDerWaalsContact O-N 3.09Å; N105-K192 WeakPolarHBondContact OD1-CE 3.22Å; N105-K192 PolarHBondContact OD1-NZ 3.39Å
106V85.4Confident78.9Confident66 Ų6669.6 Ų69.640%0.434%0.344SS..Hα-helixtrans-60.2-48.5176.31740000110.4V102 W103 L104 V108 V109 V110V102-V106 WeakPolarHBondContact O-CG2 3.29Å; V102-V106 PolarHBondContact O-N 3.35Å; W103-V106 PolarHBondContact O-N 3.02Å; L104-V106 VanDerWaalsContact C-N 3.34Å; V106-V108 VanDerWaalsContact C-N 3.33Å; V106-V108 PolarHBondContact O-N 3.29Å; V106-V109 PolarHBondContact O-N 3.37Å; V106-V109 VanDerWaalsContact O-N 3.13Å; V106-V110 HydrophobicContact CG1-CG2 4.12Å; V106-V110 WeakPolarHBondContact O-CB 3.3Å; V106-V110 VanDerWaalsContact O-CG2 3.28Å; V106-V110 WeakPolarHBondContact O-CG2 3.38Å; V106-V110 PolarHBondContact O-N 2.97Å
107M84.3Confident80.7Confident6 Ų664.7 Ų64.73%0.0332%0.32CS..Hα-helixtrans-63.8-35.8-179.4-66.5-59.9-79.500112.9Y15 L83 W103 L104 S111 V188Y15-M107 HydrophobicContact CE1-CE 4.24Å; Y15-M107 HydrophobicContact CE2-CE 4.38Å; Y15-M107 WeakPolarHBondContact OH-CE 3.28Å; L83-M107 HydrophobicContact CD1-CE 3.77Å; L83-M107 HydrophobicContact CD1-SD 4.36Å; L83-M107 HydrophobicContact CD2-CE 3.7Å; L83-M107 HydrophobicContact CD2-SD 3.71Å; L83-M107 HydrophobicContact CG-CE 4.34Å; W103-M107 HydrophobicContact CZ2-SD 4.28Å; W103-M107 VanDerWaalsContact O-CG 3.27Å; W103-M107 WeakPolarHBondContact O-CG 3.26Å; W103-M107 PolarHBondContact O-N 2.98Å; L104-M107 PolarHBondContact O-N 2.93Å; M107-S111 VanDerWaalsContact O-CB 3.29Å; M107-S111 WeakPolarHBondContact O-CB 3.34Å; M107-S111 PolarHBondContact O-N 2.91Å; M107-S111 PolarHBondContact O-OG 2.81Å; M107-V188 HydrophobicContact CB-CG1 4.1Å; M107-V188 HydrophobicContact CB-CG2 4.37Å
108V86.8Confident82.2Confident40 Ų4062.2 Ų62.224%0.24231%0.307CS..Hα-helixtrans-62.1-48172.2171.50000110.9L104 N105 V106 S111 G112 V188 I189L104-V108 VanDerWaalsContact O-CG2 3.31Å; L104-V108 WeakPolarHBondContact O-CG2 3.48Å; L104-V108 PolarHBondContact O-N 3.33Å; N105-V108 PolarHBondContact O-N 3.44Å; V106-V108 VanDerWaalsContact C-N 3.33Å; V106-V108 PolarHBondContact O-N 3.29Å; V108-S111 PolarHBondContact O-N 3.42Å; V108-S111 PolarHBondContact O-OG 2.71Å; V108-G112 PolarHBondContact O-N 2.99Å; V108-V188 HydrophobicContact CG2-CB 4.35Å; V108-V188 HydrophobicContact CG2-CG1 3.54Å; V108-I189 HydrophobicContact CG2-CG1 4.13Å
109V90.3Very high83.8Confident93 Ų9356 Ų5656%0.56429%0.288SS*.Hα-helixtrans-61.5-47.7179.61730000110.8N105 V106 S111 G112 I113N105-V109 WeakPolarHBondContact O-CG2 3.4Å; N105-V109 PolarHBondContact O-N 2.98Å; N105-V109 VanDerWaalsContact O-N 3.09Å; V106-V109 PolarHBondContact O-N 3.37Å; V106-V109 VanDerWaalsContact O-N 3.13Å; V109-S111 VanDerWaalsContact C-N 3.35Å; V109-S111 PolarHBondContact O-N 2.93Å; V109-G112 PolarHBondContact O-N 2.91Å; V109-I113 HydrophobicContact CG1-CD1 3.92Å; V109-I113 WeakPolarHBondContact O-CG1 3.36Å; V109-I113 PolarHBondContact O-N 3.19Å
110V88.9Confident85.1Confident37 Ų3756 Ų5622%0.22429%0.292CS..Hα-helixtrans-59.5-45178171.20000111V106 G112 I113 F114 W181V106-V110 HydrophobicContact CG1-CG2 4.12Å; V106-V110 WeakPolarHBondContact O-CB 3.3Å; V106-V110 VanDerWaalsContact O-CG2 3.28Å; V106-V110 WeakPolarHBondContact O-CG2 3.38Å; V106-V110 PolarHBondContact O-N 2.97Å; V110-G112 VanDerWaalsContact C-N 3.33Å; V110-G112 PolarHBondContact O-N 3.02Å; V110-I113 PolarHBondContact O-N 3.47Å; V110-F114 HydrophobicContact CG1-CD2 3.54Å; V110-F114 HydrophobicContact CG1-CE2 3.25Å; V110-F114 HydrophobicContact CG1-CZ 4.34Å; V110-F114 WeakPolarHBondContact O-CD2 3.31Å; V110-F114 PolarHBondContact O-N 3.48Å; V110-W181 HydrophobicContact CG1-CH2 4.18Å; V110-W181 HydrophobicContact CG1-CZ3 4.48Å
111S88.5Confident86Confident6 Ų650.3 Ų50.34%0.04227%0.265CS..Hα-helixtrans-60.6-41.3176.172.60000112.4M107 V108 V109 F114 L115M107-S111 VanDerWaalsContact O-CB 3.29Å; M107-S111 WeakPolarHBondContact O-CB 3.34Å; M107-S111 PolarHBondContact O-N 2.91Å; M107-S111 PolarHBondContact O-OG 2.81Å; V108-S111 PolarHBondContact O-N 3.42Å; V108-S111 PolarHBondContact O-OG 2.71Å; V109-S111 VanDerWaalsContact C-N 3.35Å; V109-S111 PolarHBondContact O-N 2.93Å; S111-F114 PolarHBondContact O-N 3.44Å; S111-L115 WeakPolarHBondContact O-CB 3.47Å; S111-L115 WeakPolarHBondContact O-CG 3.35Å; S111-L115 PolarHBondContact O-N 3.29Å
112G89.6Confident86.9Confident37 Ų3745.1 Ų45.138%0.38125%0.246SC..Hα-helixtrans-63.3-43.2176.900000112.7V108 V109 V110 L115 F116V108-G112 PolarHBondContact O-N 2.99Å; V109-G112 PolarHBondContact O-N 2.91Å; V110-G112 VanDerWaalsContact C-N 3.33Å; V110-G112 PolarHBondContact O-N 3.02Å; G112-L115 PolarHBondContact O-N 3.42Å; G112-F116 PolarHBondContact O-N 3.35Å
113I91Very high87.6Confident83 Ų8342.9 Ų42.943%0.42623%0.234SC..Hα-helixtrans-61.3-47.6177-68.1169.3000110.4V109 V110 F116 F117V109-I113 HydrophobicContact CG1-CD1 3.92Å; V109-I113 WeakPolarHBondContact O-CG1 3.36Å; V109-I113 PolarHBondContact O-N 3.19Å; V110-I113 PolarHBondContact O-N 3.47Å; I113-F116 PolarHBondContact O-N 2.84Å; I113-F117 HydrophobicContact CG2-CD2 3.61Å; I113-F117 HydrophobicContact CG2-CE2 3.47Å; I113-F117 VanDerWaalsContact CG2-CE2 3.47Å; I113-F117 WeakPolarHBondContact O-CD2 3.4Å; I113-F117 PolarHBondContact O-N 3.3Å; I113-F117 VanDerWaalsContact O-N 3.08Å
114F89.3Confident87.8Confident9 Ų942.6 Ų42.64%0.03924%0.236CC..Hα-helixtrans-66-40.7179.6-74.3-52.5000113.2M75 V76 V79 V110 S111 F116 F117 L118 W181M75-F114 HydrophobicContact CE-CD1 4.18Å; M75-F114 HydrophobicContact CE-CE1 3.57Å; V76-F114 HydrophobicContact CB-CD1 4.34Å; V76-F114 HydrophobicContact CB-CE1 4.16Å; V76-F114 HydrophobicContact CG2-CD1 3.37Å; V76-F114 HydrophobicContact CG2-CE1 3.52Å; V76-F114 HydrophobicContact CG2-CG 4.29Å; V79-F114 HydrophobicContact CB-CE2 4.16Å; V79-F114 HydrophobicContact CB-CZ 3.69Å; V79-F114 HydrophobicContact CG1-CE2 3.67Å; V79-F114 HydrophobicContact CG1-CZ 3.7Å; V79-F114 HydrophobicContact CG2-CZ 3.91Å; V110-F114 HydrophobicContact CG1-CD2 3.54Å; V110-F114 HydrophobicContact CG1-CE2 3.25Å; V110-F114 HydrophobicContact CG1-CZ 4.34Å; V110-F114 WeakPolarHBondContact O-CD2 3.31Å; V110-F114 PolarHBondContact O-N 3.48Å; S111-F114 PolarHBondContact O-N 3.44Å; F114-F116 VanDerWaalsContact C-N 3.29Å; F114-F116 PolarHBondContact O-N 2.96Å; F114-F117 PolarHBondContact O-N 3.32Å; F114-L118 VanDerWaalsContact O-CB 3.26Å; F114-L118 WeakPolarHBondContact O-CB 3.34Å; F114-L118 WeakPolarHBondContact O-CG 3.39Å; F114-L118 PolarHBondContact O-N 2.92Å; F114-W181 HydrophobicContact CB-CD2 4.03Å; F114-W181 HydrophobicContact CB-CE3 4.42Å; F114-W181 HydrophobicContact CB-CG 4.37Å; F114-W181 HydrophobicContact CB-CZ2 4.37Å; F114-W181 HydrophobicContact CD2-CD2 4.25Å; F114-W181 AromaticContact CD2-CE2 3.74Å; F114-W181 HydrophobicContact CD2-CE3 4.27Å; F114-W181 AromaticContact CD2-CH2 3.27Å; F114-W181 HydrophobicContact CD2-CH2 3.27Å; F114-W181 AromaticContact CD2-CZ2 3.22Å; F114-W181 HydrophobicContact CD2-CZ2 3.22Å; F114-W181 AromaticContact CD2-CZ3 3.82Å; F114-W181 HydrophobicContact CD2-CZ3 3.82Å; F114-W181 AromaticContact CE2-CH2 3.58Å; F114-W181 HydrophobicContact CE2-CH2 3.58Å; F114-W181 AromaticContact CE2-CZ2 3.54Å; F114-W181 HydrophobicContact CE2-CZ2 3.54Å; F114-W181 HydrophobicContact CE2-CZ3 4.48Å; F114-W181 HydrophobicContact CG-CH2 4.34Å; F114-W181 AromaticContact CG-CZ2 3.97Å; F114-W181 HydrophobicContact CG-CZ2 3.97Å; F114-W181 HydrophobicContact CZ-CZ2 4.5Å
115L91.2Very high87.8Confident28 Ų2842.4 Ų42.415%0.14724%0.235CC..Hα-helixtrans-58.4-43.6175-74.5169.6000111.8S111 G112 L119 F178 W181 L182S111-L115 WeakPolarHBondContact O-CB 3.47Å; S111-L115 WeakPolarHBondContact O-CG 3.35Å; S111-L115 PolarHBondContact O-N 3.29Å; G112-L115 PolarHBondContact O-N 3.42Å; L115-L119 VanDerWaalsContact O-CB 3.23Å; L115-L119 WeakPolarHBondContact O-CB 3.49Å; L115-L119 PolarHBondContact O-N 2.94Å; L115-F178 HydrophobicContact CB-CD2 4.49Å; L115-F178 HydrophobicContact CB-CE2 4.11Å; L115-F178 HydrophobicContact CD2-CD2 3.58Å; L115-F178 HydrophobicContact CD2-CE2 3.57Å; L115-F178 HydrophobicContact CD2-CG 4.2Å; L115-F178 HydrophobicContact CD2-CZ 4.18Å; L115-F178 WeakPolarHBondContact CD2-O 3.49Å; L115-F178 HydrophobicContact CG-CE2 4.47Å; L115-F178 WeakPolarHBondContact O-CE2 3.25Å; L115-W181 HydrophobicContact CD2-CB 3.67Å; L115-W181 HydrophobicContact CG-CB 4.08Å; L115-L182 HydrophobicContact CD1-CD2 3.67Å; L115-L182 HydrophobicContact CD1-CG 4.4Å; L115-L182 HydrophobicContact CD2-CB 4.41Å; L115-L182 HydrophobicContact CD2-CD2 3.74Å; L115-L182 HydrophobicContact CD2-CG 3.62Å; L115-L182 HydrophobicContact CG-CD2 4.35Å
116F92.2Very high88Confident124 Ų12444.1 Ų44.154%0.54424%0.24SC..Hα-helixtrans-61.3-50.2177.3179.1-104.3000111.8G112 I113 F114 L119 I120G112-F116 PolarHBondContact O-N 3.35Å; I113-F116 PolarHBondContact O-N 2.84Å; F114-F116 VanDerWaalsContact C-N 3.29Å; F114-F116 PolarHBondContact O-N 2.96Å; F116-L119 PolarHBondContact O-N 2.89Å; F116-I120 HydrophobicContact CD1-CD1 3.92Å; F116-I120 HydrophobicContact CD2-CD1 4.46Å; F116-I120 HydrophobicContact CE1-CD1 3.38Å; F116-I120 HydrophobicContact CE2-CD1 4Å; F116-I120 HydrophobicContact CG-CD1 4.44Å; F116-I120 HydrophobicContact CZ-CD1 3.45Å; F116-I120 VanDerWaalsContact CZ-CD1 3.45Å; F116-I120 WeakPolarHBondContact O-CG1 3.34Å; F116-I120 PolarHBondContact O-N 2.93Å; F116-I120 VanDerWaalsContact O-N 3.1Å
117F89.9Confident87.8Confident57 Ų5745.3 Ų45.325%0.2524%0.243CC..Hα-helixtrans-65.7-42.6179.6-75.5-60.4000112.8F68 I72 I113 F114 L119 I120 T121F68-F117 HydrophobicContact CE2-CD1 4.44Å; F68-F117 HydrophobicContact CE2-CE1 4.39Å; F68-F117 AromaticContact CZ-CD1 3.93Å; F68-F117 HydrophobicContact CZ-CD1 3.93Å; F68-F117 HydrophobicContact CZ-CE1 4.23Å; I72-F117 HydrophobicContact CD1-CB 4.16Å; I72-F117 HydrophobicContact CD1-CD1 3.8Å; I72-F117 HydrophobicContact CD1-CD2 4.32Å; I72-F117 HydrophobicContact CD1-CE1 4.24Å; I72-F117 HydrophobicContact CD1-CG 3.86Å; I72-F117 HydrophobicContact CG1-CD1 4.44Å; I72-F117 HydrophobicContact CG2-CB 3.85Å; I113-F117 HydrophobicContact CG2-CD2 3.61Å; I113-F117 HydrophobicContact CG2-CE2 3.47Å; I113-F117 VanDerWaalsContact CG2-CE2 3.47Å; I113-F117 WeakPolarHBondContact O-CD2 3.4Å; I113-F117 PolarHBondContact O-N 3.3Å; I113-F117 VanDerWaalsContact O-N 3.08Å; F114-F117 PolarHBondContact O-N 3.32Å; F117-L119 VanDerWaalsContact C-N 3.31Å; F117-L119 PolarHBondContact O-N 3.14Å; F117-I120 PolarHBondContact O-N 2.9Å; F117-T121 WeakPolarHBondContact O-CG2 3.43Å; F117-T121 PolarHBondContact O-N 3.36Å; F117-T121 PolarHBondContact O-OG1 3.32Å
118L87.9Confident87.4Confident2 Ų245 Ų451%0.0124%0.242CC..Hα-helixtrans-65.2-34.1177.8-71.4171.7000112.5V76 F114 T121 G122 V174 N177 F178 W181V76-L118 HydrophobicContact CG2-CD2 4.32Å; F114-L118 VanDerWaalsContact O-CB 3.26Å; F114-L118 WeakPolarHBondContact O-CB 3.34Å; F114-L118 WeakPolarHBondContact O-CG 3.39Å; F114-L118 PolarHBondContact O-N 2.92Å; L118-T121 WeakPolarHBondContact CA-OG1 3.44Å; L118-T121 PolarHBondContact O-OG1 3.46Å; L118-G122 PolarHBondContact O-N 2.86Å; L118-V174 HydrophobicContact CD2-CG1 4.31Å; L118-N177 HydrophobicContact CD1-CB 4.47Å; L118-N177 WeakPolarHBondContact CD1-ND2 3.45Å; L118-N177 WeakPolarHBondContact CD2-ND2 3.28Å; L118-F178 HydrophobicContact CB-CB 4.29Å; L118-F178 HydrophobicContact CB-CD2 4.21Å; L118-W181 HydrophobicContact CD1-CG 4.24Å
119L91.4Very high86.9Confident70 Ų7044.4 Ų44.437%0.36624%0.235SC..Hα-helixtrans-65.8-46.9173.8-173.870.8000110.9L115 F116 F117 T121 G122 C123 W175 F178L115-L119 VanDerWaalsContact O-CB 3.23Å; L115-L119 WeakPolarHBondContact O-CB 3.49Å; L115-L119 PolarHBondContact O-N 2.94Å; F116-L119 PolarHBondContact O-N 2.89Å; F117-L119 VanDerWaalsContact C-N 3.31Å; F117-L119 PolarHBondContact O-N 3.14Å; L119-T121 PolarHBondContact O-N 2.94Å; L119-G122 PolarHBondContact O-N 3.39Å; L119-C123 WeakPolarHBondContact O-CB 3.42Å; L119-C123 PolarHBondContact O-N 2.88Å; L119-C123 PolarHBondContact O-SG 3.47Å; L119-W175 HydrophobicContact CD1-CH2 4.05Å; L119-W175 HydrophobicContact CD1-CZ3 4.34Å; L119-F178 HydrophobicContact CB-CD2 4.37Å; L119-F178 HydrophobicContact CB-CE2 3.99Å; L119-F178 HydrophobicContact CD1-CE2 4.17Å; L119-F178 HydrophobicContact CD1-CZ 4.2Å
120I90.6Very high86.3Confident53 Ų5343.7 Ų43.727%0.27223%0.228SC..Hα-helixtrans-60.1-48177.3-68.2173.3000110.3F68 F116 F117 G122 C123 M124F68-I120 HydrophobicContact CE1-CG2 4.05Å; F116-I120 HydrophobicContact CD1-CD1 3.92Å; F116-I120 HydrophobicContact CD2-CD1 4.46Å; F116-I120 HydrophobicContact CE1-CD1 3.38Å; F116-I120 HydrophobicContact CE2-CD1 4Å; F116-I120 HydrophobicContact CG-CD1 4.44Å; F116-I120 HydrophobicContact CZ-CD1 3.45Å; F116-I120 VanDerWaalsContact CZ-CD1 3.45Å; F116-I120 WeakPolarHBondContact O-CG1 3.34Å; F116-I120 PolarHBondContact O-N 2.93Å; F116-I120 VanDerWaalsContact O-N 3.1Å; F117-I120 PolarHBondContact O-N 2.9Å; I120-G122 PolarHBondContact O-N 3.3Å; I120-C123 PolarHBondContact O-N 3.32Å; I120-M124 HydrophobicContact CG2-CG 4.37Å; I120-M124 WeakPolarHBondContact O-CB 3.5Å; I120-M124 VanDerWaalsContact O-CG 3.24Å; I120-M124 WeakPolarHBondContact O-CG 3.32Å; I120-M124 PolarHBondContact O-N 3.48Å
121T85.8Confident85.7Confident0 Ų044.1 Ų44.10%023%0.233CC..Hα-helixtrans-63.9-41.3179.357.90000111.7F68 V69 I72 F117 L118 L119 M124 L125F68-T121 HydrophobicContact CD1-CG2 4.33Å; F68-T121 HydrophobicContact CE1-CG2 4.01Å; V69-T121 HydrophobicContact CB-CG2 4.33Å; V69-T121 HydrophobicContact CG1-CG2 4.25Å; V69-T121 HydrophobicContact CG2-CG2 4.07Å; I72-T121 HydrophobicContact CB-CG2 4.18Å; I72-T121 HydrophobicContact CG1-CG2 4.43Å; I72-T121 HydrophobicContact CG2-CG2 4.06Å; F117-T121 WeakPolarHBondContact O-CG2 3.43Å; F117-T121 PolarHBondContact O-N 3.36Å; F117-T121 PolarHBondContact O-OG1 3.32Å; L118-T121 WeakPolarHBondContact CA-OG1 3.44Å; L118-T121 PolarHBondContact O-OG1 3.46Å; L119-T121 PolarHBondContact O-N 2.94Å; T121-M124 PolarHBondContact O-N 3.06Å; T121-L125 WeakPolarHBondContact O-CB 3.31Å; T121-L125 VanDerWaalsContact O-CG 3.31Å; T121-L125 WeakPolarHBondContact O-CG 3.17Å; T121-L125 PolarHBondContact O-N 2.99Å
122G86.1Confident84.9Confident0 Ų044.4 Ų44.40%023%0.234CC..Hα-helixtrans-60.7-44.1175.200000113L118 L119 I120 L125 K126L118-G122 PolarHBondContact O-N 2.86Å; L119-G122 PolarHBondContact O-N 3.39Å; I120-G122 PolarHBondContact O-N 3.3Å; G122-L125 PolarHBondContact O-N 3.46Å; G122-K126 WeakPolarHBondContact O-CB 3.29Å; G122-K126 PolarHBondContact O-N 3.42Å
123C87.3Confident84.1Confident50 Ų5043.9 Ų43.934%0.33822%0.224SC..Hα-helixtrans-62.8-44.3174.7-71.70000111.8L119 I120 L125 K126 I127L119-C123 WeakPolarHBondContact O-CB 3.42Å; L119-C123 PolarHBondContact O-N 2.88Å; L119-C123 PolarHBondContact O-SG 3.47Å; I120-C123 PolarHBondContact O-N 3.32Å; C123-L125 VanDerWaalsContact C-N 3.35Å; C123-L125 PolarHBondContact O-N 3.41Å; C123-K126 PolarHBondContact O-N 3.43Å; C123-I127 VanDerWaalsContact O-CG1 3.27Å; C123-I127 WeakPolarHBondContact O-CG1 3.34Å; C123-I127 PolarHBondContact O-N 3.43Å
124M85.1Confident83.5Confident66 Ų6643.5 Ų43.533%0.32522%0.223SC..Hα-helixtrans-63.7-40.2178.1-70.2-6415000112.1I120 T121 G128I120-M124 HydrophobicContact CG2-CG 4.37Å; I120-M124 WeakPolarHBondContact O-CB 3.5Å; I120-M124 VanDerWaalsContact O-CG 3.24Å; I120-M124 WeakPolarHBondContact O-CG 3.32Å; I120-M124 PolarHBondContact O-N 3.48Å; T121-M124 PolarHBondContact O-N 3.06Å; M124-G128 WeakPolarHBondContact O-CA 3.36Å; M124-G128 PolarHBondContact O-N 2.9Å
125L81Confident82.6Confident1 Ų144 Ų441%0.00523%0.228CC..Hα-helixtrans-64.9-45.1175.9-73173.6000111.8L29 L42 V69 T121 G122 C123 G128 R129 L167 E171 V174L29-L125 HydrophobicContact CD2-CD2 4Å; L42-L125 HydrophobicContact CD1-CD2 3.76Å; L42-L125 HydrophobicContact CD2-CD2 4.3Å; V69-L125 HydrophobicContact CG1-CD1 4.25Å; V69-L125 HydrophobicContact CG1-CD2 4.37Å; V69-L125 HydrophobicContact CG1-CG 4.38Å; T121-L125 WeakPolarHBondContact O-CB 3.31Å; T121-L125 VanDerWaalsContact O-CG 3.31Å; T121-L125 WeakPolarHBondContact O-CG 3.17Å; T121-L125 PolarHBondContact O-N 2.99Å; G122-L125 PolarHBondContact O-N 3.46Å; C123-L125 VanDerWaalsContact C-N 3.35Å; C123-L125 PolarHBondContact O-N 3.41Å; L125-G128 PolarHBondContact O-N 3.33Å; L125-R129 WeakPolarHBondContact O-CB 3.5Å; L125-R129 PolarHBondContact O-N 3.39Å; L125-L167 HydrophobicContact CD2-CD2 4.38Å; L125-E171 HydrophobicContact CB-CB 4.3Å; L125-E171 HydrophobicContact CB-CG 4.46Å; L125-V174 HydrophobicContact CD1-CB 4.36Å; L125-V174 HydrophobicContact CD1-CG2 3.87Å
126K84.6Confident81.7Confident99 Ų9943.5 Ų43.543%0.4323%0.225SC..Hα-helixtrans-62.6-53.3179.6-176.2173.8-179171.60112G122 C123 G128 R129 D130G122-K126 WeakPolarHBondContact O-CB 3.29Å; G122-K126 PolarHBondContact O-N 3.42Å; C123-K126 PolarHBondContact O-N 3.43Å; K126-G128 VanDerWaalsContact C-N 3.32Å; K126-G128 PolarHBondContact O-N 2.99Å; K126-R129 PolarHBondContact O-N 3.48Å; K126-D130 PolarHBondContact O-N 2.03Å
127I83.1Confident80.8Confident90 Ų9040.5 Ų40.546%0.46221%0.214SC..Hα-helixtrans-65-39.8-179.9-59.2164.5000110.2Y43 C123 R129 D130 S131Y43-I127 HydrophobicContact CE1-CB 4.45Å; Y43-I127 HydrophobicContact CE1-CG2 3.71Å; Y43-I127 VanDerWaalsContact OH-CB 3.29Å; Y43-I127 WeakPolarHBondContact OH-CB 3.14Å; Y43-I127 WeakPolarHBondContact OH-CG2 3.24Å; C123-I127 VanDerWaalsContact O-CG1 3.27Å; C123-I127 WeakPolarHBondContact O-CG1 3.34Å; C123-I127 PolarHBondContact O-N 3.43Å; I127-R129 PolarHBondContact O-N 3.44Å; I127-D130 PolarHBondContact O-N 3.37Å; I127-S131 VanDerWaalsContact O-CB 3.31Å; I127-S131 WeakPolarHBondContact O-CB 3.5Å; I127-S131 PolarHBondContact O-N 3.28Å
128G74.9Confident79.9Confident1 Ų145.1 Ų45.11%0.0123%0.234CC..Hα-helixtrans-61.6-40.8176.800000113M124 L125 K126 L132M124-G128 WeakPolarHBondContact O-CA 3.36Å; M124-G128 PolarHBondContact O-N 2.9Å; L125-G128 PolarHBondContact O-N 3.33Å; K126-G128 VanDerWaalsContact C-N 3.32Å; K126-G128 PolarHBondContact O-N 2.99Å; G128-L132 WeakPolarHBondContact O-CB 3.28Å; G128-L132 PolarHBondContact O-N 2.98Å; G128-L132 VanDerWaalsContact O-N 3.14Å
129R75.4Confident78.9Confident27 Ų2747.5 Ų47.510%0.10225%0.249CC..Hα-helixtrans-66.7-46.7175-177-170.867.7-161.6-9.4111.7L125 K126 I127 L132 C133 Y164 H168 E171L125-R129 WeakPolarHBondContact O-CB 3.5Å; L125-R129 PolarHBondContact O-N 3.39Å; K126-R129 PolarHBondContact O-N 3.48Å; I127-R129 PolarHBondContact O-N 3.44Å; R129-L132 PolarHBondContact O-N 2.8Å; R129-C133 WeakPolarHBondContact O-CB 3.18Å; R129-C133 PolarHBondContact O-N 3.45Å; R129-Y164 HydrophobicContact CG-CD2 4.03Å; R129-Y164 HydrophobicContact CG-CE2 3.72Å; R129-H168 PolarHBondContact NH1-ND1 2.95Å; R129-E171 VanDerWaalsContact CZ-CD 3.44Å; R129-E171 IonicContact CZ-OE1 3.17Å; R129-E171 VanDerWaalsContact CZ-OE1 3.28Å; R129-E171 IonicContact CZ-OE2 2.63Å; R129-E171 IonicContact NE-OE2 2.86Å; R129-E171 PolarHBondContact NE-OE2 3.24Å; R129-E171 IonicContact NH1-OE1 3.4Å; R129-E171 PolarHBondContact NH1-OE1 2.89Å; R129-E171 VanDerWaalsContact NH1-OE1 3.17Å; R129-E171 IonicContact NH1-OE2 3.28Å; R129-E171 PolarHBondContact NH1-OE2 3.12Å; R129-E171 IonicContact NH2-OE1 2.68Å; R129-E171 PolarHBondContact NH2-OE1 3.43Å; R129-E171 IonicContact NH2-OE2 3.33Å; R129-E171 PolarHBondContact NH2-OE2 2.96Å
130D78.8Confident77.6Confident78 Ų7844.3 Ų44.342%0.41723%0.232SC..Hα-helixtrans-66.4-40.4-176.6-65.1-10.5000110.7K126 I127 L132 C133 D134K126-D130 PolarHBondContact O-N 2.03Å; I127-D130 PolarHBondContact O-N 3.37Å; D130-L132 PolarHBondContact O-N 3.26Å; D130-C133 PolarHBondContact O-N 3.46Å; D130-D134 WeakPolarHBondContact O-CB 3.42Å; D130-D134 PolarHBondContact O-N 2.84Å
131S75.4Confident75.8Confident46 Ų4647.2 Ų47.232%0.32226%0.257SS..Hα-helixtrans-64.2-38.3174.2-177.20000113I127 S135I127-S131 VanDerWaalsContact O-CB 3.31Å; I127-S131 WeakPolarHBondContact O-CB 3.5Å; I127-S131 PolarHBondContact O-N 3.28Å; S131-S135 WeakPolarHBondContact O-CB 3.31Å; S131-S135 PolarHBondContact O-N 3.1Å; S131-S135 VanDerWaalsContact O-N 3.1Å; S131-S135 PolarHBondContact O-OG 3.39Å
132L71.9Confident74.5Confident11 Ų1151.3 Ų51.36%0.05830%0.3CS..Hα-helixtrans-66.1-44.8175.9179.467.9000110.2G44 V46 G128 R129 D130 S135 I136 I163G44-L132 WeakPolarHBondContact O-CD1 3.3Å; V46-L132 HydrophobicContact CG2-CD1 3.92Å; G128-L132 WeakPolarHBondContact O-CB 3.28Å; G128-L132 PolarHBondContact O-N 2.98Å; G128-L132 VanDerWaalsContact O-N 3.14Å; R129-L132 PolarHBondContact O-N 2.8Å; D130-L132 PolarHBondContact O-N 3.26Å; L132-S135 PolarHBondContact O-N 3.32Å; L132-I136 HydrophobicContact CD1-CD1 4.13Å; L132-I136 HydrophobicContact CG-CD1 3.93Å; L132-I136 VanDerWaalsContact O-CG1 3.26Å; L132-I136 WeakPolarHBondContact O-CG1 3.5Å; L132-I136 PolarHBondContact O-N 3.3Å; L132-I163 HydrophobicContact CD2-CG2 4.43Å
133C74.2Confident73.3Confident26 Ų2652.5 Ų52.518%0.17631%0.306CS..Hα-helixtrans-63.7-45.1179.6-178.80000112.1R129 D130 S135 I136 L137 C146R129-C133 WeakPolarHBondContact O-CB 3.18Å; R129-C133 PolarHBondContact O-N 3.45Å; D130-C133 PolarHBondContact O-N 3.46Å; C133-S135 PolarHBondContact O-N 2.93Å; C133-I136 PolarHBondContact O-N 3.3Å; C133-L137 WeakPolarHBondContact O-CB 3.48Å; C133-L137 WeakPolarHBondContact O-CG 3.06Å; C133-L137 PolarHBondContact O-N 3.04Å; C133-C146 WeakPolarHBondContact CA-SG 3.37Å; C133-C146 HydrophobicContact CB-CB 4.01Å; C133-C146 WeakPolarHBondContact CB-SG 3.47Å; C133-C146 PolarHBondContact O-SG 3.47Å; C133-C146 VanDerWaalsContact O-SG 3.37Å; C133-C146 WeakPolarHBondContact SG-CB 3.46Å; C133-C146 CovalentContact SG-SG 2.03Å; C133-C146 PolarHBondContact SG-SG 2.93Å
134D77.7Confident72Confident75 Ų7560 Ų6040%0.40133%0.333SS..Hα-helixtrans-62.4-40.8175.5-177.453.5000112.2D130 I136 L137 K138D130-D134 WeakPolarHBondContact O-CB 3.42Å; D130-D134 PolarHBondContact O-N 2.84Å; D134-I136 VanDerWaalsContact C-N 3.33Å; D134-I136 PolarHBondContact O-N 3.42Å; D134-L137 PolarHBondContact O-N 3.42Å; D134-K138 WeakPolarHBondContact O-CB 3.28Å; D134-K138 WeakPolarHBondContact O-CG 3.09Å; D134-K138 PolarHBondContact O-N 3.45Å; D134-K138 VanDerWaalsContact OD1-CE 3.26Å; D134-K138 WeakPolarHBondContact OD1-CE 3.4Å; D134-K138 IonicContact OD1-NZ 3.26Å; D134-K138 PolarHBondContact OD1-NZ 3.35Å; D134-K138 WeakPolarHBondContact OD2-CE 3.13Å; D134-K138 IonicContact OD2-NZ 2.85Å; D134-K138 PolarHBondContact OD2-NZ 3.1Å
135S70.6Confident71Confident21 Ų2158.8 Ų58.815%0.14733%0.332CS..Hα-helixtrans-63.8-39176.4-60.50000112S131 L132 C133 T139S131-S135 WeakPolarHBondContact O-CB 3.31Å; S131-S135 PolarHBondContact O-N 3.1Å; S131-S135 VanDerWaalsContact O-N 3.1Å; S131-S135 PolarHBondContact O-OG 3.39Å; L132-S135 PolarHBondContact O-N 3.32Å; C133-S135 PolarHBondContact O-N 2.93Å; S135-T139 VanDerWaalsContact O-CB 3.26Å; S135-T139 WeakPolarHBondContact O-CB 3.29Å; S135-T139 PolarHBondContact O-N 2.93Å; S135-T139 PolarHBondContact O-OG1 3.28Å
136I71.3Confident70.3Confident16 Ų1659.3 Ų59.38%0.08234%0.335CS..Hα-helixtrans-69.1-45.7178-70.9169.2000111.1V46 L132 C133 D134 K138 T139 V140 V149V46-I136 HydrophobicContact CB-CG1 4.16Å; V46-I136 HydrophobicContact CG1-CG1 4.46Å; V46-I136 HydrophobicContact CG2-CD1 4.27Å; V46-I136 HydrophobicContact CG2-CG1 3.83Å; L132-I136 HydrophobicContact CD1-CD1 4.13Å; L132-I136 HydrophobicContact CG-CD1 3.93Å; L132-I136 VanDerWaalsContact O-CG1 3.26Å; L132-I136 WeakPolarHBondContact O-CG1 3.5Å; L132-I136 PolarHBondContact O-N 3.3Å; C133-I136 PolarHBondContact O-N 3.3Å; D134-I136 VanDerWaalsContact C-N 3.33Å; D134-I136 PolarHBondContact O-N 3.42Å; I136-K138 VanDerWaalsContact C-N 3.31Å; I136-K138 PolarHBondContact O-N 2.99Å; I136-T139 PolarHBondContact O-N 2.8Å; I136-V140 PolarHBondContact O-N 3.14Å; I136-V149 HydrophobicContact CG2-CB 3.74Å; I136-V149 HydrophobicContact CG2-CG1 3.39Å; I136-V149 HydrophobicContact CG2-CG2 3.91Å
137L73.9Confident69.3Low61 Ų6158.2 Ų58.232%0.31933%0.334SS..Hα-helixtrans-62.2-37179.3-78.6161.8000112.5C133 D134 V143C133-L137 WeakPolarHBondContact O-CB 3.48Å; C133-L137 WeakPolarHBondContact O-CG 3.06Å; C133-L137 PolarHBondContact O-N 3.04Å; D134-L137 PolarHBondContact O-N 3.42Å; L137-V143 WeakPolarHBondContact CD2-O 3.29Å
138K70.8Confident68.2Low154 Ų15459.7 Ų59.767%0.6734%0.339SS*.Hα-helixtrans-70.9-35.1176.2-76.1172.5177.8164.30113D134 I136D134-K138 WeakPolarHBondContact O-CB 3.28Å; D134-K138 WeakPolarHBondContact O-CG 3.09Å; D134-K138 PolarHBondContact O-N 3.45Å; D134-K138 VanDerWaalsContact OD1-CE 3.26Å; D134-K138 WeakPolarHBondContact OD1-CE 3.4Å; D134-K138 IonicContact OD1-NZ 3.26Å; D134-K138 PolarHBondContact OD1-NZ 3.35Å; D134-K138 WeakPolarHBondContact OD2-CE 3.13Å; D134-K138 IonicContact OD2-NZ 2.85Å; D134-K138 PolarHBondContact OD2-NZ 3.1Å; I136-K138 VanDerWaalsContact C-N 3.31Å; I136-K138 PolarHBondContact O-N 2.99Å
139T66.6Low67.5Low52 Ų5259.7 Ų59.732%0.31934%0.339SS..Hα-helixtrans-84.2-31.3-174.4-69.10000112.5Y48 S135 I136Y48-T139 HydrophobicContact CG-CG2 4.46Å; S135-T139 VanDerWaalsContact O-CB 3.26Å; S135-T139 WeakPolarHBondContact O-CB 3.29Å; S135-T139 PolarHBondContact O-N 2.93Å; S135-T139 PolarHBondContact O-OG1 3.28Å; I136-T139 PolarHBondContact O-N 2.8Å
140V64.8Low66.5Low4 Ų459 Ų592%0.02434%0.337CS..SBendtrans-105.7100.2177.6-176.50000109.6Y48 I136 G142 V143 V149Y48-V140 HydrophobicContact CD2-CG2 4.06Å; Y48-V140 HydrophobicContact CG-CG2 4.36Å; I136-V140 PolarHBondContact O-N 3.14Å; V140-G142 PolarHBondContact O-N 3.46Å; V140-V143 HydrophobicContact CG1-CG2 4.03Å; V140-V149 HydrophobicContact CG2-CG1 4.21Å
141S53Low65.5Low114 Ų11463.2 Ų63.280%0.79735%0.351SS*.THydrogen-bonded Turntrans-67.5127.1174.848.30000110.9
142G58.3Low64.8Low86 Ų8664.9 Ų64.989%0.88735%0.353SS*.THydrogen-bonded Turntrans106.711.1171.200000117.4V140V140-G142 PolarHBondContact O-N 3.46Å
143V60Low64Low24 Ų2470.2 Ų70.215%0.14538%0.381CS..  trans-120.7134.4174.9-168.20000110.4L137 V140 S145 E148 V149L137-V143 WeakPolarHBondContact CD2-O 3.29Å; V140-V143 HydrophobicContact CG1-CG2 4.03Å; V143-S145 WeakPolarHBondContact CG1-O 3.46Å; V143-E148 HydrophobicContact CG1-CB 3.59Å; V143-V149 HydrophobicContact CB-CG2 3.66Å; V143-V149 HydrophobicContact CG1-CG2 3.5Å; V143-V149 VanDerWaalsContact CG1-CG2 3.5Å; V143-V149 HydrophobicContact CG2-CG2 3.98Å
144K61.7Low63.4Low207 Ų20770.5 Ų70.590%0.938%0.379SS*.SBendtrans-95.6-11.9-176.8-72.1-176.5178.3177.50113.9
145S62.4Low62.3Low42 Ų4269.7 Ų69.729%0.29438%0.376SS..  trans-137.2141.2-178.471.30000112.6V143 D147 E148V143-S145 WeakPolarHBondContact CG1-O 3.46Å; S145-D147 PolarHBondContact O-N 2.84Å; S145-E148 PolarHBondContact O-N 2.95Å; S145-E148 VanDerWaalsContact OG-CD 3.31Å; S145-E148 VanDerWaalsContact OG-CG 3.26Å; S145-E148 WeakPolarHBondContact OG-CG 3.39Å
146C66.4Low61Low11 Ų1173.9 Ų73.97%0.07441%0.406CS..Hα-helixtrans-70.3-19.5179.6-70.50000113.5C133 Q150 Y164C133-C146 WeakPolarHBondContact CA-SG 3.37Å; C133-C146 HydrophobicContact CB-CB 4.01Å; C133-C146 WeakPolarHBondContact CB-SG 3.47Å; C133-C146 PolarHBondContact O-SG 3.47Å; C133-C146 VanDerWaalsContact O-SG 3.37Å; C133-C146 WeakPolarHBondContact SG-CB 3.46Å; C133-C146 CovalentContact SG-SG 2.03Å; C133-C146 PolarHBondContact SG-SG 2.93Å; C146-Q150 PolarHBondContact O-N 3.42Å; C146-Y164 HydrophobicContact CB-CD2 4.39Å; C146-Y164 HydrophobicContact CB-CE2 4.25Å
147D63.5Low60Low77 Ų7778.8 Ų78.841%0.41244%0.439SS..Hα-helixtrans-69.8-37.3174.9-155-27.8000111.5S145 Q150S145-D147 PolarHBondContact O-N 2.84Å; D147-Q150 WeakPolarHBondContact O-CB 3.26Å; D147-Q150 PolarHBondContact O-N 3Å
148E60.7Low59.2Low121 Ų12177.9 Ų77.957%0.56543%0.434SS*.Hα-helixtrans-70.6-32.9176.9-75.9173.5-174.800113V143 S145 Q150V143-E148 HydrophobicContact CG1-CB 3.59Å; S145-E148 PolarHBondContact O-N 2.95Å; S145-E148 VanDerWaalsContact OG-CD 3.31Å; S145-E148 VanDerWaalsContact OG-CG 3.26Å; S145-E148 WeakPolarHBondContact OG-CG 3.39Å; E148-Q150 VanDerWaalsContact C-N 3.34Å
149V59.7Low58.6Low1 Ų177 Ų771%0.00643%0.432CS..Hα-helixtrans-73.3-30.1178.2-171.60000111.6I55 I136 V140 V143 K151 K152I55-V149 HydrophobicContact CD1-CG1 3.8Å; I136-V149 HydrophobicContact CG2-CB 3.74Å; I136-V149 HydrophobicContact CG2-CG1 3.39Å; I136-V149 HydrophobicContact CG2-CG2 3.91Å; V140-V149 HydrophobicContact CG2-CG1 4.21Å; V143-V149 HydrophobicContact CB-CG2 3.66Å; V143-V149 HydrophobicContact CG1-CG2 3.5Å; V143-V149 VanDerWaalsContact CG1-CG2 3.5Å; V143-V149 HydrophobicContact CG2-CG2 3.98Å; V149-K151 PolarHBondContact O-N 3.3Å; V149-K152 PolarHBondContact O-N 3.39Å; V149-K152 VanDerWaalsContact O-N 3.16Å
150Q54.6Low58.1Low13 Ų1374.6 Ų74.66%0.06142%0.417CS..Hα-helixtrans-59.9-32.3178.4-169.3178.4-87.400113C146 D147 E148 K152 W154 G160 S161 M162 T165C146-Q150 PolarHBondContact O-N 3.42Å; D147-Q150 WeakPolarHBondContact O-CB 3.26Å; D147-Q150 PolarHBondContact O-N 3Å; E148-Q150 VanDerWaalsContact C-N 3.34Å; Q150-K152 VanDerWaalsContact C-N 3.31Å; Q150-K152 PolarHBondContact O-N 2.98Å; Q150-W154 PolarHBondContact O-NE1 3.4Å; Q150-G160 WeakPolarHBondContact CG-O 3.44Å; Q150-S161 VanDerWaalsContact NE2-C 3.29Å; Q150-S161 PolarHBondContact NE2-O 3.17Å; Q150-S161 WeakPolarHBondContact O-CA 3.38Å; Q150-M162 VanDerWaalsContact NE2-CA 3.29Å; Q150-T165 PolarHBondContact NE2-OG1 2.89Å
151K58.1Low57.8Low166 Ų16677.2 Ų77.272%0.72244%0.436SS*.THydrogen-bonded Turntrans-80.4-4.5-178.8-67.3178-176.1171.10114.1V149V149-K151 PolarHBondContact O-N 3.3Å
152K61.5Low58.2Low81 Ų8177.2 Ų77.235%0.35243%0.425SS..SBendtrans-79.9162.5176.1-75.5-162.6175.9175.10112.1I55 V149 Q150 W154I55-K152 HydrophobicContact CD1-CB 4.47Å; V149-K152 PolarHBondContact O-N 3.39Å; V149-K152 VanDerWaalsContact O-N 3.16Å; Q150-K152 VanDerWaalsContact C-N 3.31Å; Q150-K152 PolarHBondContact O-N 2.98Å; K152-W154 PolarHBondContact O-N 3.46Å
153N54.4Low58.6Low123 Ų12373.5 Ų73.566%0.65838%0.384SS*.PPolyproline II helixtrans-68.8124.8-176.5-69.2-39.5000111.5
154W60.6Low59Low31 Ų3175.5 Ų75.512%0.11739%0.39CS..BIsolated β-bridgetrans-95.2155.9173.5-69.477.5000109.9M41 I55 Q150 K152 S156 I158 I163M41-W154 HydrophobicContact CE-CH2 4.13Å; M41-W154 HydrophobicContact CE-CZ3 3.87Å; I55-W154 HydrophobicContact CB-CD2 4.06Å; I55-W154 HydrophobicContact CB-CE3 3.89Å; I55-W154 HydrophobicContact CB-CZ3 4.19Å; I55-W154 HydrophobicContact CG2-CD2 4.15Å; I55-W154 HydrophobicContact CG2-CE3 3.64Å; I55-W154 HydrophobicContact CG2-CH2 3.74Å; I55-W154 HydrophobicContact CG2-CZ2 4.23Å; I55-W154 HydrophobicContact CG2-CZ3 3.41Å; I55-W154 VanDerWaalsContact CG2-CZ3 3.41Å; Q150-W154 PolarHBondContact O-NE1 3.4Å; K152-W154 PolarHBondContact O-N 3.46Å; W154-S156 PolarHBondContact O-N 3.1Å; W154-S156 VanDerWaalsContact O-N 3.16Å; W154-I158 WeakPolarHBondContact CB-O 3.37Å; W154-I158 HydrophobicContact CE3-CG2 4.42Å; W154-I163 HydrophobicContact CH2-CD1 4.3Å; W154-I163 HydrophobicContact CZ2-CD1 4.31Å
155V54.6Low59.6Low58 Ų5868 Ų6835%0.35236%0.361SS..PPolyproline II helixtrans-60.9117.5173.7174.50000109.2V54 I55 I158V54-V155 HydrophobicContact CB-CG2 3.53Å; V54-V155 HydrophobicContact CG1-CG2 4.33Å; V54-V155 HydrophobicContact CG2-CG2 3.57Å; I55-V155 PolarHBondContact O-N 3.18Å; V155-I158 WeakPolarHBondContact O-CB 3.26Å; V155-I158 PolarHBondContact O-N 2.79Å
156S43.4Very low60.2Low110 Ų11067 Ų6777%0.76935%0.353SS*.THydrogen-bonded Turntrans-55.1129.9169.6-176.10000109.6W154W154-S156 PolarHBondContact O-N 3.1Å; W154-S156 VanDerWaalsContact O-N 3.16Å
157P50.8Low60.5Low119 Ų11966.9 Ų66.977%0.77335%0.352SS*.THydrogen-bonded Turncis-97.412.120.337-36.3000116.1Q159P157-Q159 PolarHBondContact O-N 3.41Å
158I57.8Low61.3Low41 Ų4167.3 Ų67.321%0.2135%0.351CS..  trans-85.4111-171-60.2174.2000110.2F36 V57 W154 V155 G160F36-I158 HydrophobicContact CD1-CG2 3.82Å; F36-I158 HydrophobicContact CE1-CG2 3.21Å; F36-I158 HydrophobicContact CE2-CG2 4.36Å; F36-I158 HydrophobicContact CZ-CG2 3.52Å; V57-I158 HydrophobicContact CG2-CD1 4Å; W154-I158 WeakPolarHBondContact CB-O 3.37Å; W154-I158 HydrophobicContact CE3-CG2 4.42Å; V155-I158 WeakPolarHBondContact O-CB 3.26Å; V155-I158 PolarHBondContact O-N 2.79Å; I158-G160 PolarHBondContact O-N 2.95Å
159Q57.6Low62.2Low136 Ų13667.2 Ų67.264%0.63635%0.348SS*.  trans-89.796.1174-95.7176.8-20.400111P157P157-Q159 PolarHBondContact O-N 3.41Å
160G57.2Low63.2Low1 Ų167.1 Ų67.11%0.0135%0.348CS..  trans-893.4179.500000116.8Q150 I158 M162 I163Q150-G160 WeakPolarHBondContact CG-O 3.44Å; I158-G160 PolarHBondContact O-N 2.95Å; G160-M162 PolarHBondContact O-N 3.04Å; G160-I163 WeakPolarHBondContact O-CG1 3.46Å; G160-I163 PolarHBondContact O-N 3.48Å
161S57.7Low64.6Low59 Ų5967.1 Ų67.141%0.41335%0.348SS..THydrogen-bonded Turntrans-65.9-6.2-170.559.10000116.3Q150Q150-S161 VanDerWaalsContact NE2-C 3.29Å; Q150-S161 PolarHBondContact NE2-O 3.17Å; Q150-S161 WeakPolarHBondContact O-CA 3.38Å
162M61.2Low65.9Low114 Ų11462.2 Ų62.256%0.56233%0.332SS*.THydrogen-bonded Turntrans-136.610.3-179.1-63.9-170.8-165.700115Q150 G160 T165 N166Q150-M162 VanDerWaalsContact NE2-CA 3.29Å; G160-M162 PolarHBondContact O-N 3.04Å; M162-T165 PolarHBondContact O-N 3.14Å; M162-N166 VanDerWaalsContact O-CB 3.25Å; M162-N166 WeakPolarHBondContact O-CB 3.35Å; M162-N166 PolarHBondContact O-N 3.37Å; M162-N166 PolarHBondContact O-ND2 2.9Å
163I66.9Low67.1Low8 Ų858.9 Ų58.94%0.04132%0.319CS..Hα-helixtrans-62.6-60.3-171.8-63165.4000112.2F36 M41 L132 W154 G160 T165 N166 L167F36-I163 HydrophobicContact CE2-CD1 3.27Å; F36-I163 HydrophobicContact CE2-CG1 3.62Å; F36-I163 HydrophobicContact CZ-CD1 3.2Å; F36-I163 HydrophobicContact CZ-CG1 4.09Å; M41-I163 HydrophobicContact SD-CD1 3.86Å; M41-I163 HydrophobicContact SD-CG2 4.18Å; L132-I163 HydrophobicContact CD2-CG2 4.43Å; W154-I163 HydrophobicContact CH2-CD1 4.3Å; W154-I163 HydrophobicContact CZ2-CD1 4.31Å; G160-I163 WeakPolarHBondContact O-CG1 3.46Å; G160-I163 PolarHBondContact O-N 3.48Å; I163-T165 VanDerWaalsContact C-N 3.29Å; I163-T165 PolarHBondContact O-N 3.05Å; I163-N166 PolarHBondContact O-N 2.92Å; I163-L167 HydrophobicContact CG2-CD1 3.34Å; I163-L167 WeakPolarHBondContact O-CB 3.47Å; I163-L167 WeakPolarHBondContact O-CD1 3.44Å; I163-L167 PolarHBondContact O-N 3.15Å
164Y68.9Low68.6Low66 Ų6653.1 Ų53.126%0.25929%0.289SS..Hα-helixtrans-56.5-42.8177.4-173.7-96.4000111.1R129 C146 N166 L167 H168R129-Y164 HydrophobicContact CG-CD2 4.03Å; R129-Y164 HydrophobicContact CG-CE2 3.72Å; C146-Y164 HydrophobicContact CB-CD2 4.39Å; C146-Y164 HydrophobicContact CB-CE2 4.25Å; Y164-N166 PolarHBondContact O-N 2.94Å; Y164-L167 PolarHBondContact O-N 3.36Å; Y164-H168 WeakPolarHBondContact O-CB 3.47Å; Y164-H168 PolarHBondContact O-N 3.47Å
165T74.4Confident70Confident49 Ų4955.1 Ų55.130%0.30130%0.296SS..Hα-helixtrans-63.5-43177.6-44.80000112Q150 M162 I163 K169Q150-T165 PolarHBondContact NE2-OG1 2.89Å; M162-T165 PolarHBondContact O-N 3.14Å; I163-T165 VanDerWaalsContact C-N 3.29Å; I163-T165 PolarHBondContact O-N 3.05Å; T165-K169 WeakPolarHBondContact O-CB 3.39Å; T165-K169 VanDerWaalsContact O-CG 3.28Å; T165-K169 WeakPolarHBondContact O-CG 3.37Å; T165-K169 PolarHBondContact O-N 3.26Å
166N74.5Confident71.7Confident21 Ų2154.8 Ų54.811%0.11229%0.294CS..Hα-helixtrans-72.4-39178.8-71.8-22.2000112.1V32 M162 I163 Y164 K169 A170V32-N166 HydrophobicContact CG2-CB 3.77Å; M162-N166 VanDerWaalsContact O-CB 3.25Å; M162-N166 WeakPolarHBondContact O-CB 3.35Å; M162-N166 PolarHBondContact O-N 3.37Å; M162-N166 PolarHBondContact O-ND2 2.9Å; I163-N166 PolarHBondContact O-N 2.92Å; Y164-N166 PolarHBondContact O-N 2.94Å; N166-K169 PolarHBondContact O-N 3.05Å; N166-A170 WeakPolarHBondContact O-CB 3.46Å; N166-A170 PolarHBondContact O-N 3.38Å
167L73.3Confident73.9Confident10 Ų1049.8 Ų49.85%0.05226%0.259CS..Hα-helixtrans-64.6-41.3172.9-91134.3000111.9V32 L42 L125 I163 Y164 A170 E171V32-L167 HydrophobicContact CG1-CD1 4.38Å; L42-L167 HydrophobicContact CD1-CD2 3.57Å; L125-L167 HydrophobicContact CD2-CD2 4.38Å; I163-L167 HydrophobicContact CG2-CD1 3.34Å; I163-L167 WeakPolarHBondContact O-CB 3.47Å; I163-L167 WeakPolarHBondContact O-CD1 3.44Å; I163-L167 PolarHBondContact O-N 3.15Å; Y164-L167 PolarHBondContact O-N 3.36Å; L167-A170 PolarHBondContact O-N 3.38Å; L167-E171 WeakPolarHBondContact O-CB 3.06Å; L167-E171 PolarHBondContact O-N 2.83Å
168H80.1Confident75.8Confident85 Ų8545.4 Ų45.439%0.39423%0.228SC..Hα-helixtrans-64.6-41.6175.5-176.672.8000111.6R129 Y164 T172R129-H168 PolarHBondContact NH1-ND1 2.95Å; Y164-H168 WeakPolarHBondContact O-CB 3.47Å; Y164-H168 PolarHBondContact O-N 3.47Å; H168-T172 VanDerWaalsContact O-CB 3.31Å; H168-T172 WeakPolarHBondContact O-CB 3.33Å; H168-T172 PolarHBondContact O-N 3.22Å; H168-T172 PolarHBondContact O-OG1 3.45Å
169K79.3Confident77.4Confident119 Ų11949 Ų4952%0.51724%0.242SC..Hα-helixtrans-62.3-43.7171.8-76.2176.9179-179.70111.8T165 N166 T172 A173T165-K169 WeakPolarHBondContact O-CB 3.39Å; T165-K169 VanDerWaalsContact O-CG 3.28Å; T165-K169 WeakPolarHBondContact O-CG 3.37Å; T165-K169 PolarHBondContact O-N 3.26Å; N166-K169 PolarHBondContact O-N 3.05Å; K169-T172 PolarHBondContact O-N 3.42Å; K169-A173 VanDerWaalsContact O-CB 3.29Å; K169-A173 WeakPolarHBondContact O-CB 3.1Å; K169-A173 PolarHBondContact O-N 3.06Å
170A80.3Confident78.9Confident0 Ų044.8 Ų44.80%022%0.222CC..Hα-helixtrans-61.6-49.1177.800000111.6S28 L29 N166 L167 T172 A173 V174S28-A170 VanDerWaalsContact OG-CB 3.26Å; S28-A170 WeakPolarHBondContact OG-CB 2.91Å; L29-A170 HydrophobicContact CD2-CB 4.13Å; L29-A170 HydrophobicContact CG-CB 4.19Å; N166-A170 WeakPolarHBondContact O-CB 3.46Å; N166-A170 PolarHBondContact O-N 3.38Å; L167-A170 PolarHBondContact O-N 3.38Å; A170-T172 PolarHBondContact O-N 3.34Å; A170-A173 PolarHBondContact O-N 3.34Å; A170-V174 WeakPolarHBondContact O-CG2 3.35Å; A170-V174 PolarHBondContact O-N 3.47Å
171E84.5Confident80.5Confident13 Ų1344.8 Ų44.86%0.06122%0.221CC..Hα-helixtrans-59.3-47.6176.6177.9-177.4155.800111.2L125 R129 L167 A173 V174 W175L125-E171 HydrophobicContact CB-CB 4.3Å; L125-E171 HydrophobicContact CB-CG 4.46Å; R129-E171 VanDerWaalsContact CZ-CD 3.44Å; R129-E171 IonicContact CZ-OE1 3.17Å; R129-E171 VanDerWaalsContact CZ-OE1 3.28Å; R129-E171 IonicContact CZ-OE2 2.63Å; R129-E171 IonicContact NE-OE2 2.86Å; R129-E171 PolarHBondContact NE-OE2 3.24Å; R129-E171 IonicContact NH1-OE1 3.4Å; R129-E171 PolarHBondContact NH1-OE1 2.89Å; R129-E171 VanDerWaalsContact NH1-OE1 3.17Å; R129-E171 IonicContact NH1-OE2 3.28Å; R129-E171 PolarHBondContact NH1-OE2 3.12Å; R129-E171 IonicContact NH2-OE1 2.68Å; R129-E171 PolarHBondContact NH2-OE1 3.43Å; R129-E171 IonicContact NH2-OE2 3.33Å; R129-E171 PolarHBondContact NH2-OE2 2.96Å; L167-E171 WeakPolarHBondContact O-CB 3.06Å; L167-E171 PolarHBondContact O-N 2.83Å; E171-A173 VanDerWaalsContact C-N 3.33Å; E171-A173 PolarHBondContact O-N 3.42Å; E171-V174 PolarHBondContact O-N 2.99Å; E171-W175 VanDerWaalsContact O-CD1 3.22Å; E171-W175 PolarHBondContact O-N 2.9Å
172T85.6Confident82.1Confident62 Ų6245 Ų4538%0.3822%0.218SC..Hα-helixtrans-60.6-44.3177.9-56.40000110.8H168 K169 A170 V174 W175 V176H168-T172 VanDerWaalsContact O-CB 3.31Å; H168-T172 WeakPolarHBondContact O-CB 3.33Å; H168-T172 PolarHBondContact O-N 3.22Å; H168-T172 PolarHBondContact O-OG1 3.45Å; K169-T172 PolarHBondContact O-N 3.42Å; A170-T172 PolarHBondContact O-N 3.34Å; T172-V174 VanDerWaalsContact C-N 3.34Å; T172-V174 PolarHBondContact O-N 3.36Å; T172-W175 PolarHBondContact O-N 3.47Å; T172-V176 HydrophobicContact CG2-CG2 4.32Å; T172-V176 WeakPolarHBondContact O-CB 3.26Å; T172-V176 VanDerWaalsContact O-CG2 3.24Å; T172-V176 WeakPolarHBondContact O-CG2 3.36Å; T172-V176 PolarHBondContact O-N 2.87Å
173A86.3Confident83.4Confident11 Ų1143.3 Ų43.39%0.09121%0.21CC..Hα-helixtrans-62.2-39.7177.400000112.3V24 A25 K169 A170 E171 N177V24-A173 HydrophobicContact CG1-CB 4.38Å; A25-A173 HydrophobicContact CB-CB 4.04Å; K169-A173 VanDerWaalsContact O-CB 3.29Å; K169-A173 WeakPolarHBondContact O-CB 3.1Å; K169-A173 PolarHBondContact O-N 3.06Å; A170-A173 PolarHBondContact O-N 3.34Å; E171-A173 VanDerWaalsContact C-N 3.33Å; E171-A173 PolarHBondContact O-N 3.42Å; A173-N177 VanDerWaalsContact O-CB 3.27Å; A173-N177 WeakPolarHBondContact O-CB 3.46Å; A173-N177 PolarHBondContact O-N 3.39Å
174V86.9Confident84.5Confident2 Ų243 Ų431%0.01221%0.209CC..Hα-helixtrans-65-43.4175.4170.10000111.4A25 L118 L125 A170 E171 T172 N177 F178A25-V174 HydrophobicContact CB-CG2 4.06Å; L118-V174 HydrophobicContact CD2-CG1 4.31Å; L125-V174 HydrophobicContact CD1-CB 4.36Å; L125-V174 HydrophobicContact CD1-CG2 3.87Å; A170-V174 WeakPolarHBondContact O-CG2 3.35Å; A170-V174 PolarHBondContact O-N 3.47Å; E171-V174 PolarHBondContact O-N 2.99Å; T172-V174 VanDerWaalsContact C-N 3.34Å; T172-V174 PolarHBondContact O-N 3.36Å; V174-N177 WeakPolarHBondContact O-CB 3.26Å; V174-N177 PolarHBondContact O-N 2.99Å; V174-F178 PolarHBondContact O-N 3.15Å
175W89.4Confident85.3Confident73 Ų7340.1 Ų40.128%0.27720%0.199SC..Hα-helixtrans-65-44.1176.1-82.6107.7000112.4L119 E171 T172 N177 F178 F179L119-W175 HydrophobicContact CD1-CH2 4.05Å; L119-W175 HydrophobicContact CD1-CZ3 4.34Å; E171-W175 VanDerWaalsContact O-CD1 3.22Å; E171-W175 PolarHBondContact O-N 2.9Å; T172-W175 PolarHBondContact O-N 3.47Å; W175-N177 VanDerWaalsContact C-N 3.29Å; W175-N177 PolarHBondContact O-N 3.5Å; W175-F178 HydrophobicContact CE3-CD1 4.18Å; W175-F178 HydrophobicContact CZ3-CD1 4.18Å; W175-F178 HydrophobicContact CZ3-CE1 4.37Å; W175-F178 WeakPolarHBondContact O-CB 3.49Å; W175-F178 PolarHBondContact O-N 2.81Å; W175-F178 VanDerWaalsContact O-N 3.17Å; W175-F179 HydrophobicContact CE3-CE2 4.26Å; W175-F179 WeakPolarHBondContact O-CD2 3.1Å; W175-F179 PolarHBondContact O-N 3.2Å
176V90.2Very high86Confident52 Ų5241.7 Ų41.732%0.31521%0.208SC..Hα-helixtrans-58.9-44174.8170.20000110.4T172 F178 F179 F180T172-V176 HydrophobicContact CG2-CG2 4.32Å; T172-V176 WeakPolarHBondContact O-CB 3.26Å; T172-V176 VanDerWaalsContact O-CG2 3.24Å; T172-V176 WeakPolarHBondContact O-CG2 3.36Å; T172-V176 PolarHBondContact O-N 2.87Å; V176-F178 VanDerWaalsContact C-N 3.34Å; V176-F178 PolarHBondContact O-N 2.93Å; V176-F179 PolarHBondContact O-N 3.44Å; V176-F180 HydrophobicContact CG1-CD2 3.9Å; V176-F180 HydrophobicContact CG1-CE2 3.35Å; V176-F180 HydrophobicContact CG1-CZ 3.8Å; V176-F180 WeakPolarHBondContact O-CD2 3.34Å; V176-F180 PolarHBondContact O-N 2.72Å
177N89.6Confident86.5Confident4 Ų442.1 Ų42.12%0.02121%0.211CC..Hα-helixtrans-62.5-39.7176.2-166.344.1000112.3C18 C21 L118 A173 V174 W175 F180 W181C18-N177 WeakPolarHBondContact CA-OD1 3.45Å; C18-N177 WeakPolarHBondContact CB-OD1 3.36Å; C18-N177 PolarHBondContact SG-OD1 3.21Å; C21-N177 HydrophobicContact CB-CB 4.27Å; L118-N177 HydrophobicContact CD1-CB 4.47Å; L118-N177 WeakPolarHBondContact CD1-ND2 3.45Å; L118-N177 WeakPolarHBondContact CD2-ND2 3.28Å; A173-N177 VanDerWaalsContact O-CB 3.27Å; A173-N177 WeakPolarHBondContact O-CB 3.46Å; A173-N177 PolarHBondContact O-N 3.39Å; V174-N177 WeakPolarHBondContact O-CB 3.26Å; V174-N177 PolarHBondContact O-N 2.99Å; W175-N177 VanDerWaalsContact C-N 3.29Å; W175-N177 PolarHBondContact O-N 3.5Å; N177-F180 PolarHBondContact O-N 3Å; N177-W181 PolarHBondContact O-N 3.24Å
178F90.5Very high87.1Confident27 Ų2741.7 Ų41.712%0.11821%0.208CC..Hα-helixtrans-60.4-45.3173.6174.6-93.8000111.9L115 L118 L119 V174 W175 V176 F180 W181 L182L115-F178 HydrophobicContact CB-CD2 4.49Å; L115-F178 HydrophobicContact CB-CE2 4.11Å; L115-F178 HydrophobicContact CD2-CD2 3.58Å; L115-F178 HydrophobicContact CD2-CE2 3.57Å; L115-F178 HydrophobicContact CD2-CG 4.2Å; L115-F178 HydrophobicContact CD2-CZ 4.18Å; L115-F178 WeakPolarHBondContact CD2-O 3.49Å; L115-F178 HydrophobicContact CG-CE2 4.47Å; L115-F178 WeakPolarHBondContact O-CE2 3.25Å; L118-F178 HydrophobicContact CB-CB 4.29Å; L118-F178 HydrophobicContact CB-CD2 4.21Å; L119-F178 HydrophobicContact CB-CD2 4.37Å; L119-F178 HydrophobicContact CB-CE2 3.99Å; L119-F178 HydrophobicContact CD1-CE2 4.17Å; L119-F178 HydrophobicContact CD1-CZ 4.2Å; V174-F178 PolarHBondContact O-N 3.15Å; W175-F178 HydrophobicContact CE3-CD1 4.18Å; W175-F178 HydrophobicContact CZ3-CD1 4.18Å; W175-F178 HydrophobicContact CZ3-CE1 4.37Å; W175-F178 WeakPolarHBondContact O-CB 3.49Å; W175-F178 PolarHBondContact O-N 2.81Å; W175-F178 VanDerWaalsContact O-N 3.17Å; V176-F178 VanDerWaalsContact C-N 3.34Å; V176-F178 PolarHBondContact O-N 2.93Å; F178-F180 PolarHBondContact O-N 3.49Å; F178-W181 PolarHBondContact O-N 3.18Å; F178-L182 HydrophobicContact CD1-CD1 3.97Å; F178-L182 HydrophobicContact CD1-CG 4.43Å; F178-L182 HydrophobicContact CE1-CD1 3.39Å; F178-L182 HydrophobicContact CE1-CG 4.03Å; F178-L182 HydrophobicContact CZ-CD1 3.93Å; F178-L182 HydrophobicContact CZ-CD2 4.43Å; F178-L182 HydrophobicContact CZ-CG 4.22Å; F178-L182 PolarHBondContact O-N 3.25Å
179F91.2Very high87.4Confident116 Ų11641.1 Ų41.151%0.50921%0.207SC..Hα-helixtrans-63.6-40.2176.7-74.6-66000112.5W175 V176 L182 I183W175-F179 HydrophobicContact CE3-CE2 4.26Å; W175-F179 WeakPolarHBondContact O-CD2 3.1Å; W175-F179 PolarHBondContact O-N 3.2Å; V176-F179 PolarHBondContact O-N 3.44Å; F179-L182 HydrophobicContact CD1-CD1 4.26Å; F179-L182 WeakPolarHBondContact O-CB 3.49Å; F179-L182 PolarHBondContact O-N 3.3Å; F179-I183 WeakPolarHBondContact O-CG1 3.26Å; F179-I183 PolarHBondContact O-N 2.94Å
180F89.6Confident87.6Confident48 Ų4838.5 Ų38.521%0.21120%0.201CC..Hα-helixtrans-63.9-41.9175.2-68.7-35.8000112.4L14 C17 C18 V176 N177 F178 L182 I183 I184L14-F180 HydrophobicContact CD2-CB 4.49Å; L14-F180 HydrophobicContact CD2-CD1 3.7Å; L14-F180 HydrophobicContact CD2-CE1 4.27Å; L14-F180 HydrophobicContact CD2-CG 4.33Å; C17-F180 HydrophobicContact CB-CD2 4.03Å; C17-F180 HydrophobicContact CB-CE2 3.6Å; C17-F180 HydrophobicContact CB-CZ 4.02Å; C18-F180 WeakPolarHBondContact SG-CB 3.31Å; V176-F180 HydrophobicContact CG1-CD2 3.9Å; V176-F180 HydrophobicContact CG1-CE2 3.35Å; V176-F180 HydrophobicContact CG1-CZ 3.8Å; V176-F180 WeakPolarHBondContact O-CD2 3.34Å; V176-F180 PolarHBondContact O-N 2.72Å; N177-F180 PolarHBondContact O-N 3Å; F178-F180 PolarHBondContact O-N 3.49Å; F180-L182 VanDerWaalsContact C-N 3.28Å; F180-L182 PolarHBondContact O-N 2.79Å; F180-I183 HydrophobicContact CD1-CD1 4.43Å; F180-I183 PolarHBondContact O-N 2.97Å; F180-I184 VanDerWaalsContact O-CG1 3.29Å; F180-I184 WeakPolarHBondContact O-CG1 3.34Å; F180-I184 PolarHBondContact O-N 3.4Å
181W89.8Confident87.6Confident1 Ų139.2 Ų39.20%0.00421%0.205CC..Hα-helixtrans-62.3-33.2173.5-88.2103.6000113.1Y15 V110 F114 L115 L118 N177 F178 I184 G185Y15-W181 HydrophobicContact CE1-CH2 4.41Å; V110-W181 HydrophobicContact CG1-CH2 4.18Å; V110-W181 HydrophobicContact CG1-CZ3 4.48Å; F114-W181 HydrophobicContact CB-CD2 4.03Å; F114-W181 HydrophobicContact CB-CE3 4.42Å; F114-W181 HydrophobicContact CB-CG 4.37Å; F114-W181 HydrophobicContact CB-CZ2 4.37Å; F114-W181 HydrophobicContact CD2-CD2 4.25Å; F114-W181 AromaticContact CD2-CE2 3.74Å; F114-W181 HydrophobicContact CD2-CE3 4.27Å; F114-W181 AromaticContact CD2-CH2 3.27Å; F114-W181 HydrophobicContact CD2-CH2 3.27Å; F114-W181 AromaticContact CD2-CZ2 3.22Å; F114-W181 HydrophobicContact CD2-CZ2 3.22Å; F114-W181 AromaticContact CD2-CZ3 3.82Å; F114-W181 HydrophobicContact CD2-CZ3 3.82Å; F114-W181 AromaticContact CE2-CH2 3.58Å; F114-W181 HydrophobicContact CE2-CH2 3.58Å; F114-W181 AromaticContact CE2-CZ2 3.54Å; F114-W181 HydrophobicContact CE2-CZ2 3.54Å; F114-W181 HydrophobicContact CE2-CZ3 4.48Å; F114-W181 HydrophobicContact CG-CH2 4.34Å; F114-W181 AromaticContact CG-CZ2 3.97Å; F114-W181 HydrophobicContact CG-CZ2 3.97Å; F114-W181 HydrophobicContact CZ-CZ2 4.5Å; L115-W181 HydrophobicContact CD2-CB 3.67Å; L115-W181 HydrophobicContact CG-CB 4.08Å; L118-W181 HydrophobicContact CD1-CG 4.24Å; N177-W181 PolarHBondContact O-N 3.24Å; F178-W181 PolarHBondContact O-N 3.18Å; W181-I184 HydrophobicContact CE3-CG2 4.49Å; W181-I184 HydrophobicContact CZ3-CG2 4.48Å; W181-G185 PolarHBondContact O-N 2.91Å
182L90.9Very high87.4Confident65 Ų6542.2 Ų42.234%0.3422%0.218SC..Hα-helixtrans-65.9-43.2173-78.5177.3000111.9L115 F178 F179 F180 G185 T186L115-L182 HydrophobicContact CD1-CD2 3.67Å; L115-L182 HydrophobicContact CD1-CG 4.4Å; L115-L182 HydrophobicContact CD2-CB 4.41Å; L115-L182 HydrophobicContact CD2-CD2 3.74Å; L115-L182 HydrophobicContact CD2-CG 3.62Å; L115-L182 HydrophobicContact CG-CD2 4.35Å; F178-L182 HydrophobicContact CD1-CD1 3.97Å; F178-L182 HydrophobicContact CD1-CG 4.43Å; F178-L182 HydrophobicContact CE1-CD1 3.39Å; F178-L182 HydrophobicContact CE1-CG 4.03Å; F178-L182 HydrophobicContact CZ-CD1 3.93Å; F178-L182 HydrophobicContact CZ-CD2 4.43Å; F178-L182 HydrophobicContact CZ-CG 4.22Å; F178-L182 PolarHBondContact O-N 3.25Å; F179-L182 HydrophobicContact CD1-CD1 4.26Å; F179-L182 WeakPolarHBondContact O-CB 3.49Å; F179-L182 PolarHBondContact O-N 3.3Å; F180-L182 VanDerWaalsContact C-N 3.28Å; F180-L182 PolarHBondContact O-N 2.79Å; L182-G185 PolarHBondContact O-N 2.83Å; L182-T186 WeakPolarHBondContact O-CB 3.25Å; L182-T186 PolarHBondContact O-N 3.26Å; L182-T186 PolarHBondContact O-OG1 3.46Å
183I90.4Very high87.2Confident77 Ų7748.4 Ų48.440%0.39523%0.234SC..Hα-helixtrans-63.3-49.5177.2-64.7166.6000109.3L14 F179 F180 G185 T186 L187L14-I183 HydrophobicContact CD1-CB 4.47Å; L14-I183 HydrophobicContact CD1-CG2 3.69Å; L14-I183 HydrophobicContact CD2-CG2 4.34Å; F179-I183 WeakPolarHBondContact O-CG1 3.26Å; F179-I183 PolarHBondContact O-N 2.94Å; F180-I183 HydrophobicContact CD1-CD1 4.43Å; F180-I183 PolarHBondContact O-N 2.97Å; I183-G185 PolarHBondContact O-N 2.88Å; I183-T186 WeakPolarHBondContact O-CB 3.26Å; I183-T186 PolarHBondContact O-N 3.45Å; I183-T186 VanDerWaalsContact O-N 3.14Å; I183-L187 HydrophobicContact CG2-CD1 4.12Å; I183-L187 HydrophobicContact CG2-CG 4.31Å; I183-L187 VanDerWaalsContact O-CG 3.32Å; I183-L187 WeakPolarHBondContact O-CG 3.23Å; I183-L187 PolarHBondContact O-N 3.25Å
184I88Confident86.7Confident2 Ų253.8 Ų53.81%0.0126%0.257CS..Hα-helixtrans-55.1-51.1176.4-67.3161.2000110.5L14 Y15 F180 W181 T186 L187 V188L14-I184 HydrophobicContact CB-CD1 3.94Å; L14-I184 HydrophobicContact CB-CG1 3.77Å; L14-I184 HydrophobicContact CD1-CG1 3.99Å; L14-I184 HydrophobicContact CG-CG1 4.45Å; Y15-I184 HydrophobicContact CD1-CD1 3.8Å; Y15-I184 HydrophobicContact CE1-CD1 3.7Å; Y15-I184 HydrophobicContact CE1-CG1 4.36Å; Y15-I184 HydrophobicContact CE1-CG2 3.92Å; Y15-I184 WeakPolarHBondContact OH-CG2 3.25Å; F180-I184 VanDerWaalsContact O-CG1 3.29Å; F180-I184 WeakPolarHBondContact O-CG1 3.34Å; F180-I184 PolarHBondContact O-N 3.4Å; W181-I184 HydrophobicContact CE3-CG2 4.49Å; W181-I184 HydrophobicContact CZ3-CG2 4.48Å; I184-T186 VanDerWaalsContact C-N 3.28Å; I184-T186 PolarHBondContact O-N 3.38Å; I184-L187 PolarHBondContact O-N 3.3Å; I184-V188 HydrophobicContact CG2-CG2 4.29Å; I184-V188 VanDerWaalsContact O-CG2 3.28Å; I184-V188 WeakPolarHBondContact O-CG2 2.87Å; I184-V188 PolarHBondContact O-N 2.75Å
185G87.6Confident85.7Confident5 Ų556.3 Ų56.35%0.05228%0.275CS..Hα-helixtrans-57.1-42.1178.300000112.5W181 L182 I183 V188 I189W181-G185 PolarHBondContact O-N 2.91Å; L182-G185 PolarHBondContact O-N 2.83Å; I183-G185 PolarHBondContact O-N 2.88Å; G185-V188 PolarHBondContact O-N 2.9Å; G185-I189 WeakPolarHBondContact O-CB 3.41Å; G185-I189 WeakPolarHBondContact O-CD1 3.34Å; G185-I189 WeakPolarHBondContact O-CG1 2.98Å; G185-I189 PolarHBondContact O-N 2.97Å
186T87.9Confident84.5Confident82 Ų8254.5 Ų54.550%0.50327%0.273SS..Hα-helixtrans-63.9-46.1176.8-56.10000111.6L182 I183 I184 V188 I189 V190L182-T186 WeakPolarHBondContact O-CB 3.25Å; L182-T186 PolarHBondContact O-N 3.26Å; L182-T186 PolarHBondContact O-OG1 3.46Å; I183-T186 WeakPolarHBondContact O-CB 3.26Å; I183-T186 PolarHBondContact O-N 3.45Å; I183-T186 VanDerWaalsContact O-N 3.14Å; I184-T186 VanDerWaalsContact C-N 3.28Å; I184-T186 PolarHBondContact O-N 3.38Å; T186-V188 VanDerWaalsContact C-N 3.35Å; T186-V188 PolarHBondContact O-N 3.18Å; T186-I189 PolarHBondContact O-N 2.02Å; T186-V190 HydrophobicContact CG2-CG2 4.43Å; T186-V190 VanDerWaalsContact O-CG2 3.31Å; T186-V190 WeakPolarHBondContact O-CG2 3.47Å; T186-V190 PolarHBondContact O-N 3.16Å
187L86.1Confident82.8Confident31 Ų3153.7 Ų53.716%0.16228%0.276CS..Hα-helixtrans-59.6-46.4177.1-65.4176.3000110.9L7 L10 L14 I183 I184 I189 V190 Q191L7-L187 HydrophobicContact CD1-CD1 4.47Å; L7-L187 HydrophobicContact CD1-CD2 3.81Å; L7-L187 HydrophobicContact CD1-CG 4.48Å; L10-L187 HydrophobicContact CD2-CD1 3.7Å; L10-L187 HydrophobicContact CD2-CD2 4.18Å; L10-L187 HydrophobicContact CG-CD1 4.18Å; L14-L187 HydrophobicContact CD1-CD1 3.65Å; I183-L187 HydrophobicContact CG2-CD1 4.12Å; I183-L187 HydrophobicContact CG2-CG 4.31Å; I183-L187 VanDerWaalsContact O-CG 3.32Å; I183-L187 WeakPolarHBondContact O-CG 3.23Å; I183-L187 PolarHBondContact O-N 3.25Å; I184-L187 PolarHBondContact O-N 3.3Å; L187-I189 VanDerWaalsContact C-N 3.34Å; L187-I189 PolarHBondContact O-N 3.41Å; L187-V190 PolarHBondContact O-N 3Å; L187-Q191 VanDerWaalsContact C-OE1 3.26Å; L187-Q191 WeakPolarHBondContact O-CB 3.43Å; L187-Q191 VanDerWaalsContact O-CD 3.31Å; L187-Q191 WeakPolarHBondContact O-CG 3.35Å; L187-Q191 PolarHBondContact O-N 3.44Å; L187-Q191 PolarHBondContact O-OE1 3.25Å
188V85.9Confident80.9Confident1 Ų157.4 Ų57.41%0.00631%0.307CS..Hα-helixtrans-60.9-42.1178178.30000111.3L104 M107 V108 I184 G185 T186 Q191 K192L104-V188 HydrophobicContact CB-CG1 4.4Å; L104-V188 HydrophobicContact CD2-CG1 4.27Å; M107-V188 HydrophobicContact CB-CG1 4.1Å; M107-V188 HydrophobicContact CB-CG2 4.37Å; V108-V188 HydrophobicContact CG2-CB 4.35Å; V108-V188 HydrophobicContact CG2-CG1 3.54Å; I184-V188 HydrophobicContact CG2-CG2 4.29Å; I184-V188 VanDerWaalsContact O-CG2 3.28Å; I184-V188 WeakPolarHBondContact O-CG2 2.87Å; I184-V188 PolarHBondContact O-N 2.75Å; G185-V188 PolarHBondContact O-N 2.9Å; T186-V188 VanDerWaalsContact C-N 3.35Å; T186-V188 PolarHBondContact O-N 3.18Å; V188-Q191 VanDerWaalsContact CA-OE1 3.24Å; V188-K192 WeakPolarHBondContact O-CB 3.48Å; V188-K192 PolarHBondContact O-N 2.87Å
189I85.6Confident78.9Confident72 Ų7264.2 Ų64.237%0.36934%0.336SS..Hα-helixtrans-64.8-45.5176.2-69.5164.4000111.2V108 G185 T186 L187 Q191 K192 R193V108-I189 HydrophobicContact CG2-CG1 4.13Å; G185-I189 WeakPolarHBondContact O-CB 3.41Å; G185-I189 WeakPolarHBondContact O-CD1 3.34Å; G185-I189 WeakPolarHBondContact O-CG1 2.98Å; G185-I189 PolarHBondContact O-N 2.97Å; T186-I189 PolarHBondContact O-N 2.02Å; L187-I189 VanDerWaalsContact C-N 3.34Å; L187-I189 PolarHBondContact O-N 3.41Å; I189-Q191 VanDerWaalsContact C-N 3.34Å; I189-Q191 PolarHBondContact O-N 3.49Å; I189-K192 PolarHBondContact O-N 3.49Å; I189-R193 WeakPolarHBondContact O-CG 3.26Å; I189-R193 PolarHBondContact O-N 3.3Å
190V84.2Confident76.3Confident64 Ų6465.2 Ų65.239%0.38835%0.346SS..Hα-helixtrans-60.6-46.3178.7168.80000110.3T186 L187 K192 R193 Q194T186-V190 HydrophobicContact CG2-CG2 4.43Å; T186-V190 VanDerWaalsContact O-CG2 3.31Å; T186-V190 WeakPolarHBondContact O-CG2 3.47Å; T186-V190 PolarHBondContact O-N 3.16Å; L187-V190 PolarHBondContact O-N 3Å; V190-K192 PolarHBondContact O-N 3.41Å; V190-R193 WeakPolarHBondContact O-CB 3.07Å; V190-R193 PolarHBondContact O-N 3Å; V190-R193 VanDerWaalsContact O-N 3.16Å; V190-Q194 HydrophobicContact CG1-CG 4.5Å; V190-Q194 WeakPolarHBondContact O-CG 3.45Å; V190-Q194 PolarHBondContact O-N 3.33Å
191Q80.1Confident73.7Confident16 Ų1668 Ų688%0.07537%0.367CS..Hα-helixtrans-65.1-37.7177.3-68.7158.5-38.600112.5L7 R99 L187 V188 I189 R193 Q194 S195L7-Q191 HydrophobicContact CD2-CG 3.31Å; L7-Q191 HydrophobicContact CG-CG 4.27Å; R99-Q191 VanDerWaalsContact CZ-NE2 3.33Å; L187-Q191 VanDerWaalsContact C-OE1 3.26Å; L187-Q191 WeakPolarHBondContact O-CB 3.43Å; L187-Q191 VanDerWaalsContact O-CD 3.31Å; L187-Q191 WeakPolarHBondContact O-CG 3.35Å; L187-Q191 PolarHBondContact O-N 3.44Å; L187-Q191 PolarHBondContact O-OE1 3.25Å; V188-Q191 VanDerWaalsContact CA-OE1 3.24Å; I189-Q191 VanDerWaalsContact C-N 3.34Å; I189-Q191 PolarHBondContact O-N 3.49Å; Q191-R193 VanDerWaalsContact C-N 3.31Å; Q191-R193 PolarHBondContact O-N 2.79Å; Q191-Q194 PolarHBondContact O-N 2.85Å; Q191-S195 WeakPolarHBondContact O-CB 3.48Å; Q191-S195 PolarHBondContact O-N 3.36Å
192K80.5Confident71.1Confident76 Ų7673.1 Ų73.133%0.3340%0.401SS..Hα-helixtrans-62.2-39.4173178.7178.6171.2177.40111.3L104 N105 V188 I189 V190 S196L104-K192 HydrophobicContact CD1-CB 4.33Å; N105-K192 WeakPolarHBondContact OD1-CE 3.22Å; N105-K192 PolarHBondContact OD1-NZ 3.39Å; V188-K192 WeakPolarHBondContact O-CB 3.48Å; V188-K192 PolarHBondContact O-N 2.87Å; I189-K192 PolarHBondContact O-N 3.49Å; V190-K192 PolarHBondContact O-N 3.41Å; K192-S196 WeakPolarHBondContact O-CB 3.49Å; K192-S196 PolarHBondContact O-N 3.21Å; K192-S196 PolarHBondContact O-OG 3.27Å
193R80.6Confident68.5Low191 Ų19175.6 Ų75.672%0.72142%0.419SS*.Hα-helixtrans-67.5-42.6174.8-73-175.7-179.4-163.81.2111.8I189 V190 Q191 S195 S196 G197I189-R193 WeakPolarHBondContact O-CG 3.26Å; I189-R193 PolarHBondContact O-N 3.3Å; V190-R193 WeakPolarHBondContact O-CB 3.07Å; V190-R193 PolarHBondContact O-N 3Å; V190-R193 VanDerWaalsContact O-N 3.16Å; Q191-R193 VanDerWaalsContact C-N 3.31Å; Q191-R193 PolarHBondContact O-N 2.79Å; R193-S195 PolarHBondContact O-N 2.83Å; R193-S196 CarbonylContact O-C 3.55Å; R193-S196 PolarHBondContact O-N 2.81Å; R193-G197 PolarHBondContact O-N 3.3Å
194Q74.9Confident65.8Low125 Ų12577 Ų7758%0.58443%0.432SS*.Hα-helixtrans-62.9-41.8176-71.3173.7-5.700111.9V190 Q191 S196 G197 A198V190-Q194 HydrophobicContact CG1-CG 4.5Å; V190-Q194 WeakPolarHBondContact O-CG 3.45Å; V190-Q194 PolarHBondContact O-N 3.33Å; Q191-Q194 PolarHBondContact O-N 2.85Å; Q194-S196 VanDerWaalsContact C-N 3.3Å; Q194-S196 PolarHBondContact O-N 3.23Å; Q194-G197 PolarHBondContact O-N 3.4Å; Q194-A198 WeakPolarHBondContact O-CB 3.13Å; Q194-A198 PolarHBondContact O-N 3.46Å
195S67.4Low63.4Low55 Ų5582.2 Ų82.239%0.38548%0.476SS..Hα-helixtrans-67.6-29175.4-173.40000113.1Q191 R193Q191-S195 WeakPolarHBondContact O-CB 3.48Å; Q191-S195 PolarHBondContact O-N 3.36Å; R193-S195 PolarHBondContact O-N 2.83Å
196S64.3Low61.1Low35 Ų3585.5 Ų85.525%0.24551%0.509CS..Hα-helixtrans-82.5-35.2174-56.30000112.7K192 R193 Q194 K199K192-S196 WeakPolarHBondContact O-CB 3.49Å; K192-S196 PolarHBondContact O-N 3.21Å; K192-S196 PolarHBondContact O-OG 3.27Å; R193-S196 CarbonylContact O-C 3.55Å; R193-S196 PolarHBondContact O-N 2.81Å; Q194-S196 VanDerWaalsContact C-N 3.3Å; Q194-S196 PolarHBondContact O-N 3.23Å; S196-K199 WeakPolarHBondContact O-CB 3.49Å; S196-K199 PolarHBondContact O-N 3.21Å; S196-K199 VanDerWaalsContact O-N 3.17Å
197G53.8Low58.3Low35 Ų3586.6 Ų86.636%0.36152%0.52SS..Hα-helixtrans-71.6-30.9178.800000113.1R193 Q194 K199 L200 V201R193-G197 PolarHBondContact O-N 3.3Å; Q194-G197 PolarHBondContact O-N 3.4Å; G197-K199 PolarHBondContact O-N 3.24Å; G197-L200 PolarHBondContact O-N 3.25Å; G197-V201 PolarHBondContact O-N 3.44Å
198A50.5Low56.1Low82 Ų8291.8 Ų91.868%0.67855%0.548SS*.THydrogen-bonded Turntrans-63.1-18.7169.600000113.2Q194Q194-A198 WeakPolarHBondContact O-CB 3.13Å; Q194-A198 PolarHBondContact O-N 3.46Å
199K46.8Very low54Low169 Ų169100.7 Ų100.774%0.73559%0.587SS**THydrogen-bonded Turntrans-90.9-5.7171.1-77.7-167.2173.6-168.80114S196 G197S196-K199 WeakPolarHBondContact O-CB 3.49Å; S196-K199 PolarHBondContact O-N 3.21Å; S196-K199 VanDerWaalsContact O-N 3.17Å; G197-K199 PolarHBondContact O-N 3.24Å
200L36.5Very low51.3Low138 Ų138101 Ų10172%0.72361%0.607SS**SBendtrans-113.17.5-174.4-81.3164000113.5G197 P202G197-L200 PolarHBondContact O-N 3.25Å; L200-P202 WeakPolarHBondContact O-CD 3.46Å
201V36.5Very low48.9Very low105 Ų105105.6 Ų105.664%0.63663%0.625SS**  trans-78.1108.2158.7-179.90000105.5G197 T203G197-V201 PolarHBondContact O-N 3.44Å; V201-T203 VanDerWaalsContact C-N 3.35Å; V201-T203 PolarHBondContact O-N 3.09Å
202P34.6Very low47.1Very low110 Ų110111.3 Ų111.371%0.71466%0.663SS**  trans-62.4113155.117.7-6000103.5L200 P204L200-P202 WeakPolarHBondContact O-CD 3.46Å; P202-P204 WeakPolarHBondContact O-CD 3.41Å
203T36.1Very low45Very low117 Ų117111.3 Ų111.372%0.71868%0.684SS**  trans-46.5119156.718.10000105.5V201 A205V201-T203 VanDerWaalsContact C-N 3.35Å; V201-T203 PolarHBondContact O-N 3.09Å; T203-A205 PolarHBondContact O-N 3.02Å; T203-A205 VanDerWaalsContact O-N 3.12Å
204P34.4Very low42.8Very low106 Ų106105.8 Ų105.869%0.68868%0.68SS**  trans-58.4127.717224.1-28.8000105.3P202 G206P202-P204 WeakPolarHBondContact O-CD 3.41Å; P204-G206 PolarHBondContact O-N 3.21Å
205A38.2Very low41Very low112 Ų112105.3 Ų105.393%0.92669%0.69SS**THydrogen-bonded Turntrans-46.3110.7168.700000107.7T203T203-A205 PolarHBondContact O-N 3.02Å; T203-A205 VanDerWaalsContact O-N 3.12Å
206G38.2Very low39.7Very low73 Ų73107.7 Ų107.775%0.75371%0.713SS**THydrogen-bonded Turntrans148.62-179.300000119.2P204 L208P204-G206 PolarHBondContact O-N 3.21Å; G206-L208 VanDerWaalsContact C-N 3.32Å; G206-L208 PolarHBondContact O-N 3.41Å
207S29.8Very low38.8Very low105 Ų105110 Ų11073%0.73474%0.735SS**  trans-83.582.5169.8-173.50000110.7F209S207-F209 PolarHBondContact O-N 3.4Å
208L39.7Very low38.4Very low141 Ų141117.2 Ų117.274%0.73876%0.759SS**  trans-47126.8158.4-143.581.3000108.7G206G206-L208 VanDerWaalsContact C-N 3.32Å; G206-L208 PolarHBondContact O-N 3.41Å
209F40.9Very low38.5Very low188 Ų188119.8 Ų119.883%0.82577%0.767SS**  trans85.6113175.8-54.9-77000118.2S207S207-F209 PolarHBondContact O-N 3.4Å
210G30.2Very low38.6Very low77 Ų77120.2 Ų120.279%0.79477%0.771SS**  trans144.938148.500000119.5
211E33.6Very low39Very low162 Ų162119.2 Ų119.276%0.75777%0.773SS**  trans-82.9145.3149.3-80.8-162.811400109
212P40.7Very low39.6Very low135 Ų135124.6 Ų124.688%0.87779%0.788SS**  -137.6119.7112.133-18.9000111.8
213G38.3Very low40.3Very low76 Ų76128.2 Ų128.278%0.78479%0.793SS**  trans133.761.9150.200000117.1
214A33.5Very low40.8Very low76 Ų76130.3 Ų130.363%0.62880%0.8SS**  trans-152.4104.9147.400000109.9A216A214-A216 PolarHBondContact O-N 3.2Å; A214-A216 VanDerWaalsContact O-N 3.1Å
215S37.3Very low41.5Very low115 Ų115136 Ų13680%0.80481%0.807SS**  trans-61.5106.8174.554.20000111A217S215-A217 PolarHBondContact O-N 3.15Å; S215-A217 VanDerWaalsContact O-N 3.13Å
216A40.9Very low42.3Very low104 Ų104136.1 Ų136.186%0.8680%0.799SS**  trans-83.362.1167.900000110.8A214A214-A216 PolarHBondContact O-N 3.2Å; A214-A216 VanDerWaalsContact O-N 3.1Å
217A43.8Very low43Very low85 Ų85138.7 Ų138.770%0.70280%0.802SS**  trans-103.75.917600000113.6S215S215-A217 PolarHBondContact O-N 3.15Å; S215-A217 VanDerWaalsContact O-N 3.13Å
218E46.2Very low43.6Very low186 Ų186145.3 Ų145.387%0.86981%0.811SS**  trans-122.768.7-178.2-62.2-160.4144.700112
219T51.9Low44.4Very low136 Ų136144.1 Ų144.183%0.83481%0.812SS**  trans-154.769.1155.322.40000109.6
220E49.1Very low44.4Very low178 Ų178148 Ų14883%0.83283%0.833SS**  trans-105.2124156.7-63.4-15115400108.9F222E220-F222 PolarHBondContact O-N 3.32Å
221P46.1Very low45.1Very low117 Ų117151.6 Ų151.676%0.7684%0.835SS**  trans-74.9117.3176.927.3-30000110.5F223P221-F223 VanDerWaalsContact C-N 3.34Å; P221-F223 PolarHBondContact O-N 3.23Å
222F48.5Very low45.7Very low218 Ų218151.1 Ų151.196%0.95684%0.839SS**  trans-62.387.8170-84.1-92.6000111E220 N224E220-F222 PolarHBondContact O-N 3.32Å; F222-N224 PolarHBondContact O-N 3.16Å
223F48.5Very low46Very low186 Ų186151.9 Ų151.982%0.81684%0.837SS**  trans-90.996.3168-123.4-84.4000109.5P221 R225P221-F223 VanDerWaalsContact C-N 3.34Å; P221-F223 PolarHBondContact O-N 3.23Å; F223-R225 PolarHBondContact O-N 2.91Å
224N47.7Very low46.5Very low160 Ų160156.4 Ų156.486%0.85684%0.84SS**  trans-61.5112.5168-117.9-1.5000109.2F222F222-N224 PolarHBondContact O-N 3.16Å
225R49.6Very low47.3Very low226 Ų226161.4 Ų161.485%0.85385%0.853SS**PPolyproline II helixtrans-97.5132.7163.5-84.8-170.6179.3-178.52109.3F223F223-R225 PolarHBondContact O-N 2.91Å
226P54Low47.9Very low114 Ų114164.5 Ų164.574%0.7486%0.856SS**PPolyproline II helixtrans-73.6152.9172.830.3-31.7000110.9
227P53.8Low48.4Very low128 Ų128168.9 Ų168.983%0.83186%0.856SS**PPolyproline II helixtrans-72130.6177.628.1-30.4000110.4
228R41.6Very low48.8Very low243 Ų243175.3 Ų175.392%0.91787%0.868SS**PPolyproline II helixtrans-93.3138164.3-106.9-172.7-166166.14.7109.4
229P55.7Low49Very low116 Ų116174.4 Ų174.475%0.75387%0.868SS**PPolyproline II helixtrans-86.1138.9-179.133.2-30.7000111.6
230Q41.8Very low48.8Very low271 Ų271177.9 Ų177.9100%1.26687%0.871SS**  169.40123-89.7-174800109.6

Retrieved 230 of 230 residues in 185.7 ms (Link to these results)

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