A0A096MWB5_PAPAN Loading...

G protein-coupled receptor 162

AlphaFold DB , UniProt , Accession A0A096MWB5, Species PAPAN (Papio anubis, Olive baboon), Gene GPR162, Length 589 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M42.1Very low52.9Low237 Ų237104.8 Ų104.8100%1.16763%0.633SS**  0-15.80-81.1175.4172.700114.7R3M1-R3 VanDerWaalsContact C-N 3.35Å; M1-R3 PolarHBondContact O-N 3.13Å
2A41.5Very low54.2Low98 Ų98101.6 Ų101.681%0.8162%0.619SS**THydrogen-bonded Turntrans-73.8-14.118000000116.1
3R43.1Very low55.2Low246 Ų24699.7 Ų99.793%0.92860%0.602SS**Hα-helixtrans-84-17.2-178-117175.2171.2144.3-2.7114.6M1M1-R3 VanDerWaalsContact C-N 3.35Å; M1-R3 PolarHBondContact O-N 3.13Å
4G41.2Very low56.5Low59 Ų5998.7 Ų98.761%0.60859%0.588SS**Hα-helixtrans-85-20.4177.300000114.1
5G50.6Low57.8Low37 Ų3796.7 Ų96.738%0.38158%0.581SS.*Hα-helixtrans-78.7-42.6179.400000113.3G7 A8 E9G5-G7 PolarHBondContact O-N 3.21Å; G5-A8 PolarHBondContact O-N 2.78Å; G5-E9 PolarHBondContact O-N 3.38Å
6A53.4Low59.3Low48 Ų4893.5 Ų93.540%0.39756%0.559SS.*Hα-helixtrans-61.8-43.9-177.800000112.8A8 E9 E10A6-A8 VanDerWaalsContact C-N 3.34Å; A6-A8 PolarHBondContact O-N 3.47Å; A6-E9 PolarHBondContact O-N 3.5Å; A6-E10 WeakPolarHBondContact O-CB 3.34Å; A6-E10 VanDerWaalsContact O-CG 3.32Å; A6-E10 WeakPolarHBondContact O-CG 3.44Å; A6-E10 PolarHBondContact O-N 3.42Å
7G58.6Low60.6Low40 Ų4088 Ų8841%0.41253%0.526SS..Hα-helixtrans-68-30.8177.600000113.8G5 A11G5-G7 PolarHBondContact O-N 3.21Å; G7-A11 VanDerWaalsContact O-CB 3.29Å; G7-A11 WeakPolarHBondContact O-CB 3.47Å; G7-A11 PolarHBondContact O-N 3.06Å; G7-A11 VanDerWaalsContact O-N 3.08Å
8A61.2Low62.1Low62 Ų6287.9 Ų87.951%0.51252%0.522SS..Hα-helixtrans-75-38.2175.900000112G5 A6 S12G5-A8 PolarHBondContact O-N 2.78Å; A6-A8 VanDerWaalsContact C-N 3.34Å; A6-A8 PolarHBondContact O-N 3.47Å; A8-S12 VanDerWaalsContact O-CB 3.26Å; A8-S12 WeakPolarHBondContact O-CB 3.34Å; A8-S12 PolarHBondContact O-N 3.17Å
9E62Low63.5Low138 Ų13885.6 Ų85.665%0.64551%0.511SS*.Hα-helixtrans-68.1-41.3173.8-74.7-170.4129.100112.1G5 A6 S12 L13G5-E9 PolarHBondContact O-N 3.38Å; A6-E9 PolarHBondContact O-N 3.5Å; E9-S12 PolarHBondContact O-N 2.96Å; E9-L13 WeakPolarHBondContact O-CB 3.35Å; E9-L13 WeakPolarHBondContact O-CD1 3.22Å; E9-L13 VanDerWaalsContact O-CG 3.3Å; E9-L13 WeakPolarHBondContact O-CG 3.34Å; E9-L13 PolarHBondContact O-N 3.07Å
10E63.7Low64.8Low126 Ų12681.9 Ų81.959%0.58949%0.488SS*.Hα-helixtrans-61.7-46174.3-77.7173.8-175.900111.9A6 L13 H14A6-E10 WeakPolarHBondContact O-CB 3.34Å; A6-E10 VanDerWaalsContact O-CG 3.32Å; A6-E10 WeakPolarHBondContact O-CG 3.44Å; A6-E10 PolarHBondContact O-N 3.42Å; E10-L13 PolarHBondContact O-N 3.32Å; E10-H14 WeakPolarHBondContact O-CB 3.37Å; E10-H14 PolarHBondContact O-N 3.25Å
11A64.8Low66.1Low62 Ų6280.7 Ų80.751%0.51248%0.479SS..Hα-helixtrans-64-40.417600000112.4G7 H14 S15G7-A11 VanDerWaalsContact O-CB 3.29Å; G7-A11 WeakPolarHBondContact O-CB 3.47Å; G7-A11 PolarHBondContact O-N 3.06Å; G7-A11 VanDerWaalsContact O-N 3.08Å; A11-H14 PolarHBondContact O-N 3.19Å; A11-S15 WeakPolarHBondContact O-CB 3.36Å; A11-S15 PolarHBondContact O-N 3.2Å
12S68.4Low68.5Low66 Ų6672.4 Ų72.446%0.46245%0.448SS..Hα-helixtrans-63.2-47.3175.41770000111.6A8 E9 H14 S15 N16A8-S12 VanDerWaalsContact O-CB 3.26Å; A8-S12 WeakPolarHBondContact O-CB 3.34Å; A8-S12 PolarHBondContact O-N 3.17Å; E9-S12 PolarHBondContact O-N 2.96Å; S12-H14 VanDerWaalsContact C-N 3.33Å; S12-H14 PolarHBondContact O-N 3.47Å; S12-S15 WeakPolarHBondContact O-CB 3.26Å; S12-S15 PolarHBondContact O-N 3.42Å; S12-N16 VanDerWaalsContact O-CG 3.25Å; S12-N16 PolarHBondContact O-N 2.88Å; S12-N16 PolarHBondContact O-ND2 2.86Å
13L66.6Low71Confident77 Ų7769.4 Ų69.440%0.40342%0.42SS..Hα-helixtrans-63.6-38.9177.3-75.2162.3000111.8E9 E10 N16 A17E9-L13 WeakPolarHBondContact O-CB 3.35Å; E9-L13 WeakPolarHBondContact O-CD1 3.22Å; E9-L13 VanDerWaalsContact O-CG 3.3Å; E9-L13 WeakPolarHBondContact O-CG 3.34Å; E9-L13 PolarHBondContact O-N 3.07Å; E10-L13 PolarHBondContact O-N 3.32Å; L13-N16 PolarHBondContact O-N 3.45Å; L13-A17 PolarHBondContact O-N 3.41Å
14H74.3Confident73.4Confident86 Ų8657.8 Ų57.840%0.39838%0.377SS..Hα-helixtrans-64.8-45.6176.4-167.974.3000111.4E10 A11 S12 N16 A17 L18 Q78E10-H14 WeakPolarHBondContact O-CB 3.37Å; E10-H14 PolarHBondContact O-N 3.25Å; A11-H14 PolarHBondContact O-N 3.19Å; S12-H14 VanDerWaalsContact C-N 3.33Å; S12-H14 PolarHBondContact O-N 3.47Å; H14-N16 VanDerWaalsContact C-N 3.26Å; H14-N16 PolarHBondContact O-N 3.18Å; H14-A17 PolarHBondContact O-N 2.95Å; H14-L18 WeakPolarHBondContact O-CG 3.41Å; H14-L18 PolarHBondContact O-N 2.9Å; H14-Q78 PolarHBondContact ND1-OE1 3.19Å
15S76.3Confident75.9Confident69 Ų6960 Ų6048%0.48337%0.374SS..Hα-helixtrans-57.3-39.8173.2-173.80000111.6A11 S12 S19A11-S15 WeakPolarHBondContact O-CB 3.36Å; A11-S15 PolarHBondContact O-N 3.2Å; S12-S15 WeakPolarHBondContact O-CB 3.26Å; S12-S15 PolarHBondContact O-N 3.42Å; S15-S19 VanDerWaalsContact O-CB 3.28Å; S15-S19 WeakPolarHBondContact O-CB 3.3Å; S15-S19 PolarHBondContact O-N 3.49Å; S15-S19 PolarHBondContact O-OG 3.36Å
16N80.6Confident78.1Confident45 Ų4563 Ų6324%0.24138%0.381CS..Hα-helixtrans-68-43.3178.3-74-44.8000112.5S12 L13 H14 S19 W20 W311S12-N16 VanDerWaalsContact O-CG 3.25Å; S12-N16 PolarHBondContact O-N 2.88Å; S12-N16 PolarHBondContact O-ND2 2.86Å; L13-N16 PolarHBondContact O-N 3.45Å; H14-N16 VanDerWaalsContact C-N 3.26Å; H14-N16 PolarHBondContact O-N 3.18Å; N16-S19 WeakPolarHBondContact O-CB 3.29Å; N16-S19 PolarHBondContact O-N 2.82Å; N16-W20 PolarHBondContact O-N 3.5Å; N16-W311 HydrophobicContact CB-CZ2 4.5Å
17A82.6Confident80.1Confident0 Ų060.7 Ų60.70%036%0.362CS..Hα-helixtrans-67.9-41.7-179.400000112.4L13 H14 S19 W20 L21 Q74 L75L13-A17 PolarHBondContact O-N 3.41Å; H14-A17 PolarHBondContact O-N 2.95Å; A17-S19 VanDerWaalsContact C-N 3.31Å; A17-S19 PolarHBondContact O-N 2.85Å; A17-W20 PolarHBondContact O-N 3.44Å; A17-L21 PolarHBondContact O-N 2.86Å; A17-L21 VanDerWaalsContact O-N 3.07Å; A17-Q74 HydrophobicContact CB-CB 4.39Å; A17-L75 HydrophobicContact CB-CD1 4.49Å; A17-L75 HydrophobicContact CB-CD2 3.8Å; A17-L75 HydrophobicContact CB-CG 3.75Å
18L86.5Confident81.8Confident86 Ų8661 Ų6145%0.4536%0.355SS..Hα-helixtrans-61.7-41171.6-71.8176.7000111.6H14 W20 L21 A22H14-L18 WeakPolarHBondContact O-CG 3.41Å; H14-L18 PolarHBondContact O-N 2.9Å; L18-W20 VanDerWaalsContact C-N 3.32Å; L18-W20 PolarHBondContact O-N 2.91Å; L18-L21 PolarHBondContact O-N 3.46Å; L18-A22 WeakPolarHBondContact O-CB 3.15Å; L18-A22 PolarHBondContact O-N 3Å
19S88.6Confident83.4Confident45 Ų4563.5 Ų63.532%0.31536%0.358SS..Hα-helixtrans-61.5-40.3176.2-60.70000111.6S15 N16 A17 A22 C23S15-S19 VanDerWaalsContact O-CB 3.28Å; S15-S19 WeakPolarHBondContact O-CB 3.3Å; S15-S19 PolarHBondContact O-N 3.49Å; S15-S19 PolarHBondContact O-OG 3.36Å; N16-S19 WeakPolarHBondContact O-CB 3.29Å; N16-S19 PolarHBondContact O-N 2.82Å; A17-S19 VanDerWaalsContact C-N 3.31Å; A17-S19 PolarHBondContact O-N 2.85Å; S19-A22 PolarHBondContact O-N 3.26Å; S19-C23 VanDerWaalsContact O-CB 3.28Å; S19-C23 WeakPolarHBondContact O-CB 3.3Å; S19-C23 PolarHBondContact O-N 3.46Å; S19-C23 PolarHBondContact O-SG 3.04Å
20W89.7Confident85Confident10 Ų1058 Ų584%0.03834%0.337CS..Hα-helixtrans-65.3-39.1173.7-77.5-26.6000114.1N16 A17 L18 G24 F70 A71 Q74 L307 W311 M314N16-W20 PolarHBondContact O-N 3.5Å; A17-W20 PolarHBondContact O-N 3.44Å; L18-W20 VanDerWaalsContact C-N 3.32Å; L18-W20 PolarHBondContact O-N 2.91Å; W20-G24 WeakPolarHBondContact O-CA 3.47Å; W20-G24 PolarHBondContact O-N 2.97Å; W20-F70 AromaticContact CE3-CD1 3.86Å; W20-F70 HydrophobicContact CE3-CD1 3.86Å; W20-F70 HydrophobicContact CE3-CE1 4.29Å; W20-F70 AromaticContact CH2-CD1 3.53Å; W20-F70 HydrophobicContact CH2-CD1 3.53Å; W20-F70 AromaticContact CH2-CE1 3.21Å; W20-F70 HydrophobicContact CH2-CE1 3.21Å; W20-F70 HydrophobicContact CH2-CZ 4.32Å; W20-F70 HydrophobicContact CZ2-CD1 4.49Å; W20-F70 HydrophobicContact CZ2-CE1 4.35Å; W20-F70 AromaticContact CZ3-CD1 3.17Å; W20-F70 HydrophobicContact CZ3-CD1 3.17Å; W20-F70 AromaticContact CZ3-CE1 3.19Å; W20-F70 HydrophobicContact CZ3-CE1 3.19Å; W20-A71 HydrophobicContact CB-CB 3.99Å; W20-A71 HydrophobicContact CE3-CB 4.17Å; W20-Q74 HydrophobicContact CZ3-CG 4.39Å; W20-L307 HydrophobicContact CH2-CD1 3.2Å; W20-L307 HydrophobicContact CZ2-CD1 3.32Å; W20-L307 HydrophobicContact CZ2-CG 4.46Å; W20-L307 HydrophobicContact CZ3-CD1 4.48Å; W20-W311 AromaticContact CD1-CD2 3.97Å; W20-W311 AromaticContact CD1-CE2 3.85Å; W20-W311 AromaticContact CD1-CE3 3.76Å; W20-W311 AromaticContact CD1-CH2 3.33Å; W20-W311 AromaticContact CD1-CZ2 3.56Å; W20-W311 AromaticContact CD1-CZ3 3.43Å; W20-W311 VanDerWaalsContact CD1-CZ3 3.43Å; W20-W311 HydrophobicContact CD2-CZ2 4.47Å; W20-W311 AromaticContact CE2-CE2 3.64Å; W20-W311 AromaticContact CE2-CZ2 3.81Å; W20-W311 AromaticContact CE2-NE1 3.79Å; W20-W311 HydrophobicContact CG-CH2 4.26Å; W20-W311 HydrophobicContact CG-CZ2 4.35Å; W20-W311 AromaticContact CZ2-CD1 3.98Å; W20-W311 HydrophobicContact CZ2-CD2 4.49Å; W20-W311 AromaticContact CZ2-CE2 3.94Å; W20-W311 HydrophobicContact CZ2-CZ2 4.4Å; W20-W311 AromaticContact CZ2-NE1 3.58Å; W20-W311 AromaticContact NE1-CD2 3.16Å; W20-W311 AromaticContact NE1-CE2 3.02Å; W20-W311 AromaticContact NE1-CE3 3.41Å; W20-W311 AromaticContact NE1-CG 3.84Å; W20-W311 AromaticContact NE1-CH2 3.43Å; W20-W311 AromaticContact NE1-CZ2 3.18Å; W20-W311 AromaticContact NE1-CZ3 3.54Å; W20-W311 AromaticContact NE1-NE1 3.58Å; W20-M314 HydrophobicContact CB-CE 4.18Å; W20-M314 HydrophobicContact CG-CE 4.37Å; W20-M314 VanDerWaalsContact O-CE 3.25Å; W20-M314 WeakPolarHBondContact O-CE 3.49Å
21L92Very high86.5Confident58 Ų5852 Ų5230%0.30431%0.309SS..Hα-helixtrans-65.8-43.1175.9-69.8178.5000111.2A17 L18 G24 L25 A71 L75A17-L21 PolarHBondContact O-N 2.86Å; A17-L21 VanDerWaalsContact O-N 3.07Å; L18-L21 PolarHBondContact O-N 3.46Å; L21-G24 PolarHBondContact O-N 3Å; L21-L25 WeakPolarHBondContact O-CB 3.37Å; L21-L25 PolarHBondContact O-N 3.35Å; L21-A71 HydrophobicContact CD2-CB 3.76Å; L21-A71 HydrophobicContact CG-CB 3.93Å; L21-L75 HydrophobicContact CD1-CD1 3.52Å
22A93.3Very high87.9Confident62 Ų6250.9 Ų50.951%0.51230%0.3SS..Hα-helixtrans-64-48.7176.900000111.9L18 S19 G24 L25 L26L18-A22 WeakPolarHBondContact O-CB 3.15Å; L18-A22 PolarHBondContact O-N 3Å; S19-A22 PolarHBondContact O-N 3.26Å; A22-G24 VanDerWaalsContact C-N 3.31Å; A22-G24 PolarHBondContact O-N 3.39Å; A22-L25 PolarHBondContact O-N 3.01Å; A22-L26 WeakPolarHBondContact O-CB 3.41Å; A22-L26 PolarHBondContact O-N 3.29Å
23C93.4Very high89Confident35 Ų3551.8 Ų51.824%0.23629%0.293CS..Hα-helixtrans-63.2-37.8175.2-70.70000112S19 L26 A27 M314 L318S19-C23 VanDerWaalsContact O-CB 3.28Å; S19-C23 WeakPolarHBondContact O-CB 3.3Å; S19-C23 PolarHBondContact O-N 3.46Å; S19-C23 PolarHBondContact O-SG 3.04Å; C23-L26 PolarHBondContact O-N 3.28Å; C23-A27 VanDerWaalsContact O-CB 3.32Å; C23-A27 WeakPolarHBondContact O-CB 3.33Å; C23-A27 PolarHBondContact O-N 3.44Å; C23-M314 HydrophobicContact CB-CE 4.11Å; C23-M314 HydrophobicContact CB-CG 3.81Å; C23-M314 HydrophobicContact CB-SD 3.64Å; C23-L318 HydrophobicContact CB-CD1 4.29Å
24G93.6Very high90.2Very high2 Ų248.4 Ų48.42%0.02128%0.275CS..Hα-helixtrans-62.9-48.2176.200000111.6W20 L21 A22 L26 A27 L28W20-G24 WeakPolarHBondContact O-CA 3.47Å; W20-G24 PolarHBondContact O-N 2.97Å; L21-G24 PolarHBondContact O-N 3Å; A22-G24 VanDerWaalsContact C-N 3.31Å; A22-G24 PolarHBondContact O-N 3.39Å; G24-L26 VanDerWaalsContact C-N 3.34Å; G24-L26 PolarHBondContact O-N 3.39Å; G24-A27 WeakPolarHBondContact O-CB 3.35Å; G24-A27 PolarHBondContact O-N 3.04Å; G24-L28 VanDerWaalsContact O-CG 3.32Å; G24-L28 WeakPolarHBondContact O-CG 3.48Å; G24-L28 PolarHBondContact O-N 2.77Å
25L94.5Very high91Very high105 Ų10546.6 Ų46.655%0.5527%0.268SS..Hα-helixtrans-60.3-44.6175.5-179.361.8000111.6L21 A22 A27 L28 L29L21-L25 WeakPolarHBondContact O-CB 3.37Å; L21-L25 PolarHBondContact O-N 3.35Å; A22-L25 PolarHBondContact O-N 3.01Å; L25-A27 VanDerWaalsContact C-N 3.32Å; L25-A27 PolarHBondContact O-N 3.27Å; L25-L28 WeakPolarHBondContact O-CB 3.36Å; L25-L28 PolarHBondContact O-N 2.95Å; L25-L29 HydrophobicContact CD1-CD1 4.42Å; L25-L29 HydrophobicContact CD1-CG 4.46Å; L25-L29 HydrophobicContact CG-CD1 4.3Å; L25-L29 WeakPolarHBondContact O-CG 3.44Å; L25-L29 PolarHBondContact O-N 3.06Å
26L95.3Very high91.6Very high100 Ų10047 Ų4752%0.52426%0.264SS..Hα-helixtrans-60-43.4175179.762000111.5A22 C23 G24 L28 L29 A30 L318A22-L26 WeakPolarHBondContact O-CB 3.41Å; A22-L26 PolarHBondContact O-N 3.29Å; C23-L26 PolarHBondContact O-N 3.28Å; G24-L26 VanDerWaalsContact C-N 3.34Å; G24-L26 PolarHBondContact O-N 3.39Å; L26-L28 VanDerWaalsContact C-N 3.34Å; L26-L28 PolarHBondContact O-N 3.47Å; L26-L29 PolarHBondContact O-N 3.29Å; L26-A30 WeakPolarHBondContact O-CB 3.39Å; L26-A30 PolarHBondContact O-N 2.81Å; L26-L318 HydrophobicContact CB-CD2 4.33Å; L26-L318 HydrophobicContact CD2-CD2 4.05Å; L26-L318 HydrophobicContact CG-CD2 3.95Å
27A95.4Very high92Very high0 Ų045 Ų450%025%0.254CS..Hα-helixtrans-62.7-40.1177.400000111.8C23 G24 L25 N31 A63 L318C23-A27 VanDerWaalsContact O-CB 3.32Å; C23-A27 WeakPolarHBondContact O-CB 3.33Å; C23-A27 PolarHBondContact O-N 3.44Å; G24-A27 WeakPolarHBondContact O-CB 3.35Å; G24-A27 PolarHBondContact O-N 3.04Å; L25-A27 VanDerWaalsContact C-N 3.32Å; L25-A27 PolarHBondContact O-N 3.27Å; A27-N31 VanDerWaalsContact O-CB 3.31Å; A27-N31 WeakPolarHBondContact O-CB 3.49Å; A27-N31 PolarHBondContact O-N 3.44Å; A27-N31 PolarHBondContact O-ND2 3.22Å; A27-A63 HydrophobicContact CB-CB 4.12Å; A27-L318 HydrophobicContact CB-CD2 3.79Å; A27-L318 HydrophobicContact CB-CG 4.31Å
28L95.6Very high92.1Very high48 Ų4845.1 Ų45.125%0.25126%0.255SS..Hα-helixtrans-60.3-53.4175.5-67.7172.3000111.1G24 L25 L26 A30 A32 I60 A63 A64G24-L28 VanDerWaalsContact O-CG 3.32Å; G24-L28 WeakPolarHBondContact O-CG 3.48Å; G24-L28 PolarHBondContact O-N 2.77Å; L25-L28 WeakPolarHBondContact O-CB 3.36Å; L25-L28 PolarHBondContact O-N 2.95Å; L26-L28 VanDerWaalsContact C-N 3.34Å; L26-L28 PolarHBondContact O-N 3.47Å; L28-A30 PolarHBondContact O-N 3.04Å; L28-A32 VanDerWaalsContact O-CB 3.24Å; L28-A32 WeakPolarHBondContact O-CB 3.34Å; L28-A32 PolarHBondContact O-N 3.19Å; L28-I60 HydrophobicContact CD2-CB 4.29Å; L28-I60 HydrophobicContact CD2-CG2 3.72Å; L28-I60 WeakPolarHBondContact CD2-O 3.41Å; L28-A63 HydrophobicContact CD2-CB 3.9Å; L28-A63 HydrophobicContact CG-CB 4.09Å; L28-A64 HydrophobicContact CD2-CB 3.92Å
29L95.2Very high92Very high113 Ų11343.3 Ų43.359%0.59225%0.249SC*.Hα-helixtrans-63.4-45-178.3-66.2174.4000111.7L25 L26 A32 W33L25-L29 HydrophobicContact CD1-CD1 4.42Å; L25-L29 HydrophobicContact CD1-CG 4.46Å; L25-L29 HydrophobicContact CG-CD1 4.3Å; L25-L29 WeakPolarHBondContact O-CG 3.44Å; L25-L29 PolarHBondContact O-N 3.06Å; L26-L29 PolarHBondContact O-N 3.29Å; L29-A32 PolarHBondContact O-N 3.39Å; L29-W33 WeakPolarHBondContact O-CB 3.43Å; L29-W33 PolarHBondContact O-N 3.34Å
30A94.2Very high91.7Very high23 Ų2342.1 Ų42.119%0.1924%0.242CC..Hα-helixtrans-67.9-40.8-177.600000112.2L26 L28 W33 I34 P321L26-A30 WeakPolarHBondContact O-CB 3.39Å; L26-A30 PolarHBondContact O-N 2.81Å; L28-A30 PolarHBondContact O-N 3.04Å; A30-W33 PolarHBondContact O-N 3.04Å; A30-I34 WeakPolarHBondContact O-CG1 3.38Å; A30-I34 PolarHBondContact O-N 3.39Å; A30-I34 VanDerWaalsContact O-N 3.17Å; A30-P321 HydrophobicContact CB-CB 3.93Å; A30-P321 HydrophobicContact CB-CG 3.5Å
31N95.6Very high91Very high0 Ų045.6 Ų45.60%026%0.257CS..Hα-helixtrans-73.6-34.6176.7-74.8-78.7000112.2A27 W33 I34 I35 A56 I60 T317A27-N31 VanDerWaalsContact O-CB 3.31Å; A27-N31 WeakPolarHBondContact O-CB 3.49Å; A27-N31 PolarHBondContact O-N 3.44Å; A27-N31 PolarHBondContact O-ND2 3.22Å; N31-W33 VanDerWaalsContact C-N 3.33Å; N31-I34 WeakPolarHBondContact O-CB 3.37Å; N31-I34 PolarHBondContact O-N 3.08Å; N31-I35 WeakPolarHBondContact O-CG1 3.24Å; N31-I35 PolarHBondContact O-N 2.78Å; N31-A56 HydrophobicContact CB-CB 4.28Å; N31-I60 HydrophobicContact CB-CD1 4.15Å; N31-I60 HydrophobicContact CB-CG1 3.64Å; N31-T317 PolarHBondContact ND2-O 3.42Å
32A94.1Very high90Very high39 Ų3944.7 Ų44.732%0.32225%0.251SS..Hα-helixtrans-62.2-43.2171.800000111L28 L29 I34 I35 L36 I60L28-A32 VanDerWaalsContact O-CB 3.24Å; L28-A32 WeakPolarHBondContact O-CB 3.34Å; L28-A32 PolarHBondContact O-N 3.19Å; L29-A32 PolarHBondContact O-N 3.39Å; A32-I34 VanDerWaalsContact C-N 3.29Å; A32-I34 PolarHBondContact O-N 3.18Å; A32-I35 PolarHBondContact O-N 3.49Å; A32-I35 VanDerWaalsContact O-N 3.14Å; A32-L36 WeakPolarHBondContact O-CG 3.28Å; A32-L36 PolarHBondContact O-N 3.12Å; A32-I60 HydrophobicContact CB-CD1 4.28Å
33W91.4Very high88.4Confident85 Ų8550.7 Ų50.732%0.32227%0.269SS..Hα-helixtrans-58-38.9174.8-176.3-96.1000112.9L29 A30 N31 L36 S37 V334 V337L29-W33 WeakPolarHBondContact O-CB 3.43Å; L29-W33 PolarHBondContact O-N 3.34Å; A30-W33 PolarHBondContact O-N 3.04Å; N31-W33 VanDerWaalsContact C-N 3.33Å; W33-L36 PolarHBondContact O-N 2.88Å; W33-S37 PolarHBondContact NE1-OG 3.3Å; W33-S37 VanDerWaalsContact O-CB 3.26Å; W33-S37 WeakPolarHBondContact O-CB 3.42Å; W33-S37 PolarHBondContact O-N 3.38Å; W33-S37 PolarHBondContact O-OG 3.07Å; W33-V334 HydrophobicContact CH2-CB 4.08Å; W33-V334 HydrophobicContact CH2-CG1 4.03Å; W33-V334 HydrophobicContact CH2-CG2 3.8Å; W33-V334 HydrophobicContact CZ2-CB 4.44Å; W33-V334 HydrophobicContact CZ2-CG2 3.85Å; W33-V337 HydrophobicContact CH2-CB 4.1Å; W33-V337 HydrophobicContact CH2-CG1 4.24Å; W33-V337 HydrophobicContact CH2-CG2 4.23Å; W33-V337 HydrophobicContact CZ2-CG2 4.14Å; W33-V337 HydrophobicContact CZ3-CG1 4.28Å
34I91.5Very high87.1Confident5 Ų557.7 Ų57.73%0.02630%0.295CS..Hα-helixtrans-61.3-47.5174.9-68.1167.2000111.1A30 N31 A32 L36 S37 I38 A56 L320 P321 I324A30-I34 WeakPolarHBondContact O-CG1 3.38Å; A30-I34 PolarHBondContact O-N 3.39Å; A30-I34 VanDerWaalsContact O-N 3.17Å; N31-I34 WeakPolarHBondContact O-CB 3.37Å; N31-I34 PolarHBondContact O-N 3.08Å; A32-I34 VanDerWaalsContact C-N 3.29Å; A32-I34 PolarHBondContact O-N 3.18Å; I34-L36 VanDerWaalsContact C-N 3.31Å; I34-L36 PolarHBondContact O-N 3.16Å; I34-S37 PolarHBondContact O-N 3.47Å; I34-I38 HydrophobicContact CG2-CD1 3.6Å; I34-I38 HydrophobicContact CG2-CG1 4.24Å; I34-I38 WeakPolarHBondContact O-CG1 3.36Å; I34-I38 PolarHBondContact O-N 2.96Å; I34-A56 HydrophobicContact CG2-CB 4.36Å; I34-L320 HydrophobicContact CD1-CB 4.23Å; I34-L320 HydrophobicContact CD1-CD2 4.21Å; I34-L320 HydrophobicContact CD1-CG 3.9Å; I34-P321 HydrophobicContact CD1-CB 3.86Å; I34-P321 HydrophobicContact CD1-CG 3.76Å; I34-P321 VanDerWaalsContact CD1-N 3.31Å; I34-P321 HydrophobicContact CG1-CB 4.37Å; I34-I324 HydrophobicContact CD1-CG1 4.3Å; I34-I324 HydrophobicContact CG1-CB 4.46Å; I34-I324 HydrophobicContact CG2-CG1 4.17Å; I34-I324 HydrophobicContact CG2-CG2 4.22Å
35I92.1Very high85.9Confident49 Ų4961 Ų6125%0.25131%0.31SS..Hα-helixtrans-59.1-48.5-178.9-65.2169.8000109.2N31 A32 S37 I38 S39 A56 I60N31-I35 WeakPolarHBondContact O-CG1 3.24Å; N31-I35 PolarHBondContact O-N 2.78Å; A32-I35 PolarHBondContact O-N 3.49Å; A32-I35 VanDerWaalsContact O-N 3.14Å; I35-S37 PolarHBondContact O-N 2.92Å; I35-I38 PolarHBondContact O-N 2.9Å; I35-S39 WeakPolarHBondContact O-CB 3.49Å; I35-S39 PolarHBondContact O-N 3.3Å; I35-S39 PolarHBondContact O-OG 3.12Å; I35-S39 VanDerWaalsContact O-OG 3.04Å; I35-A56 HydrophobicContact CD1-CB 4.05Å; I35-A56 HydrophobicContact CG1-CB 3.73Å; I35-I60 HydrophobicContact CD1-CD1 3.68Å
36L89.2Confident85.5Confident76 Ų7660.4 Ų60.440%0.39830%0.303SS..Hα-helixtrans-60.3-43.6176.2-64.9175.8000112.1A32 W33 I34 I38 S39 A40 V337A32-L36 WeakPolarHBondContact O-CG 3.28Å; A32-L36 PolarHBondContact O-N 3.12Å; W33-L36 PolarHBondContact O-N 2.88Å; I34-L36 VanDerWaalsContact C-N 3.31Å; I34-L36 PolarHBondContact O-N 3.16Å; L36-I38 PolarHBondContact O-N 3.16Å; L36-S39 PolarHBondContact O-N 2.88Å; L36-A40 VanDerWaalsContact O-CB 3.22Å; L36-A40 WeakPolarHBondContact O-CB 3.28Å; L36-A40 PolarHBondContact O-N 3.4Å; L36-V337 HydrophobicContact CB-CG1 3.83Å
37S87.2Confident85.1Confident5 Ų556.3 Ų56.34%0.03528%0.282CS..Hα-helixtrans-62.3-41.8179.4-64.80000112.8W33 I34 I35 K41W33-S37 PolarHBondContact NE1-OG 3.3Å; W33-S37 VanDerWaalsContact O-CB 3.26Å; W33-S37 WeakPolarHBondContact O-CB 3.42Å; W33-S37 PolarHBondContact O-N 3.38Å; W33-S37 PolarHBondContact O-OG 3.07Å; I34-S37 PolarHBondContact O-N 3.47Å; I35-S37 PolarHBondContact O-N 2.92Å; S37-K41 PolarHBondContact O-N 3.38Å
38I86.6Confident84.8Confident2 Ų256.6 Ų56.61%0.0128%0.284CS..Hα-helixtrans-70.2-43.9178.5-67172.1000110I34 I35 L36 Q42 E49 L52 C53 Y330I34-I38 HydrophobicContact CG2-CD1 3.6Å; I34-I38 HydrophobicContact CG2-CG1 4.24Å; I34-I38 WeakPolarHBondContact O-CG1 3.36Å; I34-I38 PolarHBondContact O-N 2.96Å; I35-I38 PolarHBondContact O-N 2.9Å; L36-I38 PolarHBondContact O-N 3.16Å; I38-Q42 WeakPolarHBondContact O-CG 3.33Å; I38-Q42 PolarHBondContact O-N 3.46Å; I38-E49 HydrophobicContact CG2-CB 3.81Å; I38-E49 HydrophobicContact CG2-CG 4.17Å; I38-L52 HydrophobicContact CD1-CB 4.05Å; I38-C53 VanDerWaalsContact CG2-SG 3.54Å; I38-Y330 HydrophobicContact CG1-CD1 4.48Å
39S84.6Confident84.5Confident48 Ų4854.3 Ų54.334%0.33627%0.272SS..Hα-helixtrans-65.1-44.2179.3-63.30000112.3I35 L36 K41 Q42I35-S39 WeakPolarHBondContact O-CB 3.49Å; I35-S39 PolarHBondContact O-N 3.3Å; I35-S39 PolarHBondContact O-OG 3.12Å; I35-S39 VanDerWaalsContact O-OG 3.04Å; L36-S39 PolarHBondContact O-N 2.88Å; S39-K41 VanDerWaalsContact C-N 3.3Å; S39-K41 PolarHBondContact O-N 3.49Å; S39-Q42 PolarHBondContact O-N 2.73Å
40A82.1Confident84.3Confident20 Ų2050.4 Ų50.417%0.16525%0.251CS..Hα-helixtrans-62.5-33.8-179.600000113.3L36 V337 Q340L36-A40 VanDerWaalsContact O-CB 3.22Å; L36-A40 WeakPolarHBondContact O-CB 3.28Å; L36-A40 PolarHBondContact O-N 3.4Å; A40-V337 HydrophobicContact CB-CG2 4.16Å; A40-Q340 HydrophobicContact CB-CB 3.84Å; A40-Q340 HydrophobicContact CB-CG 3.86Å
41K74.4Confident84.3Confident83 Ų8349.5 Ų49.536%0.36124%0.243SC..Hα-helixtrans-85-18-178.6-79.1-159.1-179.9-167.70114.6S37 S39 R329 R331 A332S37-K41 PolarHBondContact O-N 3.38Å; S39-K41 VanDerWaalsContact C-N 3.3Å; S39-K41 PolarHBondContact O-N 3.49Å; K41-R329 PolarHBondContact NZ-O 2.98Å; K41-R331 WeakPolarHBondContact CE-O 3.5Å; K41-R331 PolarHBondContact NZ-O 3.25Å; K41-A332 HydrophobicContact CD-CB 4.4Å; K41-A332 VanDerWaalsContact CE-CA 3.47Å; K41-A332 HydrophobicContact CG-CB 4.25Å
42Q71.5Confident84.2Confident38 Ų3849.6 Ų49.618%0.17824%0.244CC..  trans-121.898.7-167.5-61.4-61.5-51.200111I38 S39 K44 E49I38-Q42 WeakPolarHBondContact O-CG 3.33Å; I38-Q42 PolarHBondContact O-N 3.46Å; S39-Q42 PolarHBondContact O-N 2.73Å; Q42-K44 PolarHBondContact O-N 3Å; Q42-E49 WeakPolarHBondContact CG-OE2 3.4Å; Q42-E49 PolarHBondContact OE1-OE2 2.91Å
43Q58.2Low84.2Confident189 Ų18948.8 Ų48.888%0.88324%0.236SC*.SBendtrans-63.2-19.9171.1-71.5-135.4-16.800113.5
44K66.6Low84.4Confident181 Ų18146.2 Ų46.279%0.78723%0.227SC*.SBendtrans-133106.3172-66.7-172.2-179.8-172.90109.6Q42 K46Q42-K44 PolarHBondContact O-N 3Å; K44-K46 PolarHBondContact O-N 2.8Å; K44-K46 VanDerWaalsContact O-N 3.1Å
45H69.1Low84.6Confident72 Ų7246 Ų4633%0.33323%0.226SC..  trans-57114.4178-65.5-75.6000111.8
46K84.7Confident84.8Confident93 Ų9343.6 Ų43.640%0.40421%0.214SC..  trans-73.7154.8169.9-62177.4-172.91710109.6K44 L48 E49 L50 R329K44-K46 PolarHBondContact O-N 2.8Å; K44-K46 VanDerWaalsContact O-N 3.1Å; K46-L48 VanDerWaalsContact C-N 3.25Å; K46-L48 PolarHBondContact O-N 3.14Å; K46-E49 HydrophobicContact CB-CG 4.47Å; K46-E49 VanDerWaalsContact CB-OE2 3.3Å; K46-E49 WeakPolarHBondContact CB-OE2 3.3Å; K46-E49 WeakPolarHBondContact CG-OE2 3.36Å; K46-E49 PolarHBondContact N-OE2 2.98Å; K46-E49 WeakPolarHBondContact O-CB 3.48Å; K46-E49 PolarHBondContact O-N 3.02Å; K46-L50 PolarHBondContact O-N 3.27Å; K46-R329 VanDerWaalsContact NZ-NH2 3.12Å
47P87.6Confident85.1Confident13 Ų1341 Ų418%0.08421%0.205CC..Hα-helixtrans-63.3-32.2-175-13.123.9000112.9L50 L51 H114 A130 K131 A134P47-L50 PolarHBondContact O-N 2.8Å; P47-L51 WeakPolarHBondContact O-CG 3.25Å; P47-L51 PolarHBondContact O-N 3.06Å; P47-L51 VanDerWaalsContact O-N 3.1Å; P47-H114 WeakPolarHBondContact CB-NE2 3.47Å; P47-A130 HydrophobicContact CG-CB 3.76Å; P47-K131 HydrophobicContact CG-CB 4.35Å; P47-A134 HydrophobicContact CB-CB 3.7Å
48L88.9Confident85.6Confident7 Ų740.9 Ų40.94%0.03720%0.204CC..Hα-helixtrans-62.8-45.2172.8-173.677.4000112.1K46 L50 L51 L52 L111 V269 V273K46-L48 VanDerWaalsContact C-N 3.25Å; K46-L48 PolarHBondContact O-N 3.14Å; L48-L50 VanDerWaalsContact C-N 3.31Å; L48-L50 PolarHBondContact O-N 2.91Å; L48-L51 PolarHBondContact O-N 3.44Å; L48-L52 HydrophobicContact CG-CD1 4.43Å; L48-L52 WeakPolarHBondContact O-CG 3.46Å; L48-L52 PolarHBondContact O-N 3.07Å; L48-L111 HydrophobicContact CD1-CD2 3.74Å; L48-V269 HydrophobicContact CD2-CG1 3.52Å; L48-V273 HydrophobicContact CD1-CG2 4.14Å
49E90.3Very high86Confident0 Ų040.9 Ų40.90%020%0.204CC..Hα-helixtrans-65.6-38.5-179.3-73.8148.5-164.700110.6I38 Q42 K46 L52 C53 R329 Y330I38-E49 HydrophobicContact CG2-CB 3.81Å; I38-E49 HydrophobicContact CG2-CG 4.17Å; Q42-E49 WeakPolarHBondContact CG-OE2 3.4Å; Q42-E49 PolarHBondContact OE1-OE2 2.91Å; K46-E49 HydrophobicContact CB-CG 4.47Å; K46-E49 VanDerWaalsContact CB-OE2 3.3Å; K46-E49 WeakPolarHBondContact CB-OE2 3.3Å; K46-E49 WeakPolarHBondContact CG-OE2 3.36Å; K46-E49 PolarHBondContact N-OE2 2.98Å; K46-E49 WeakPolarHBondContact O-CB 3.48Å; K46-E49 PolarHBondContact O-N 3.02Å; E49-L52 PolarHBondContact O-N 3Å; E49-C53 PolarHBondContact O-N 3.14Å; E49-C53 PolarHBondContact O-SG 3.42Å; E49-R329 IonicContact OE1-CZ 3.67Å; E49-R329 IonicContact OE1-NE 2.67Å; E49-R329 IonicContact OE1-NH2 3.81Å; E49-R329 PolarHBondContact OE1-NH2 2.04Å; E49-Y330 HydrophobicContact CG-CE1 3.79Å
50L91.4Very high86.7Confident30 Ų3040.5 Ų40.516%0.15720%0.198CC..Hα-helixtrans-60.4-45.5173.2-175.6141.4000112.2K46 P47 L48 L52 C53 F54 A134 L135 V138K46-L50 PolarHBondContact O-N 3.27Å; P47-L50 PolarHBondContact O-N 2.8Å; L48-L50 VanDerWaalsContact C-N 3.31Å; L48-L50 PolarHBondContact O-N 2.91Å; L50-L52 VanDerWaalsContact C-N 3.3Å; L50-L52 PolarHBondContact O-N 3.04Å; L50-C53 PolarHBondContact O-N 3Å; L50-F54 VanDerWaalsContact O-CB 3.3Å; L50-F54 WeakPolarHBondContact O-CB 3.21Å; L50-F54 PolarHBondContact O-N 3.32Å; L50-A134 HydrophobicContact CD2-CB 4.44Å; L50-L135 HydrophobicContact CD1-CD2 3.64Å; L50-L135 HydrophobicContact CD1-CG 4.05Å; L50-L135 HydrophobicContact CD2-CD2 4.28Å; L50-V138 HydrophobicContact CD2-CG2 4.02Å
51L93.9Very high87.3Confident4 Ų443 Ų432%0.02121%0.208CC..Hα-helixtrans-64.5-33176.3-71.5168.8000112.5P47 L48 L55 L111 H114 V138P47-L51 WeakPolarHBondContact O-CG 3.25Å; P47-L51 PolarHBondContact O-N 3.06Å; P47-L51 VanDerWaalsContact O-N 3.1Å; L48-L51 PolarHBondContact O-N 3.44Å; L51-L55 WeakPolarHBondContact O-CB 3.01Å; L51-L55 PolarHBondContact O-N 2.97Å; L51-L111 HydrophobicContact CB-CD2 3.46Å; L51-L111 VanDerWaalsContact CB-CD2 3.46Å; L51-L111 HydrophobicContact CB-CG 4.05Å; L51-L111 HydrophobicContact CD1-CD2 4.1Å; L51-L111 HydrophobicContact CG-CD2 4.43Å; L51-H114 HydrophobicContact CD1-CB 4.19Å; L51-V138 HydrophobicContact CD2-CG2 3.83Å
52L93.6Very high88.3Confident2 Ų239.3 Ų39.31%0.0119%0.192CC..Hα-helixtrans-72.2-42.8175.4-69.3172.3000112.3I38 L48 E49 L50 F54 L55 A56 L111 I276 I324 Y330I38-L52 HydrophobicContact CD1-CB 4.05Å; L48-L52 HydrophobicContact CG-CD1 4.43Å; L48-L52 WeakPolarHBondContact O-CG 3.46Å; L48-L52 PolarHBondContact O-N 3.07Å; E49-L52 PolarHBondContact O-N 3Å; L50-L52 VanDerWaalsContact C-N 3.3Å; L50-L52 PolarHBondContact O-N 3.04Å; L52-F54 VanDerWaalsContact C-N 3.26Å; L52-F54 PolarHBondContact O-N 2.96Å; L52-L55 PolarHBondContact O-N 2.73Å; L52-A56 PolarHBondContact O-N 3.44Å; L52-L111 HydrophobicContact CD2-CD1 4.07Å; L52-L111 HydrophobicContact CD2-CD2 4.07Å; L52-L111 HydrophobicContact CG-CD2 4.2Å; L52-I276 HydrophobicContact CD2-CD1 4.09Å; L52-I324 HydrophobicContact CD1-CD1 3.94Å; L52-I324 HydrophobicContact CD2-CD1 4.2Å; L52-Y330 HydrophobicContact CD1-CE2 4.33Å
53C93.6Very high89.5Confident22 Ų2237.5 Ų37.515%0.14918%0.184CC..Hα-helixtrans-60.6-40.6173.1-70.10000111.2I38 E49 L50 A56 G57I38-C53 VanDerWaalsContact CG2-SG 3.54Å; E49-C53 PolarHBondContact O-N 3.14Å; E49-C53 PolarHBondContact O-SG 3.42Å; L50-C53 PolarHBondContact O-N 3Å; C53-A56 PolarHBondContact O-N 3.21Å; C53-G57 PolarHBondContact O-N 2.94Å
54F94.4Very high91.2Very high31 Ų3130.4 Ų30.414%0.13616%0.158CC..Hα-helixtrans-61.9-45.6175.4-176.7-94.5000112.6L50 L52 A56 G57 T58 T107 V138 W142L50-F54 VanDerWaalsContact O-CB 3.3Å; L50-F54 WeakPolarHBondContact O-CB 3.21Å; L50-F54 PolarHBondContact O-N 3.32Å; L52-F54 VanDerWaalsContact C-N 3.26Å; L52-F54 PolarHBondContact O-N 2.96Å; F54-A56 VanDerWaalsContact C-N 3.33Å; F54-A56 PolarHBondContact O-N 2.88Å; F54-G57 WeakPolarHBondContact O-CA 3.46Å; F54-G57 PolarHBondContact O-N 3.12Å; F54-G57 VanDerWaalsContact O-N 3.14Å; F54-T58 HydrophobicContact CD1-CG2 4.22Å; F54-T58 HydrophobicContact CE1-CG2 3.98Å; F54-T58 PolarHBondContact O-N 3.31Å; F54-T107 HydrophobicContact CD1-CG2 3.83Å; F54-T107 WeakPolarHBondContact CD1-OG1 3.48Å; F54-T107 HydrophobicContact CE1-CG2 4.4Å; F54-T107 WeakPolarHBondContact CE1-OG1 3.48Å; F54-V138 HydrophobicContact CB-CG2 4.4Å; F54-V138 HydrophobicContact CD1-CG2 4.26Å; F54-V138 HydrophobicContact CD2-CB 4.32Å; F54-V138 HydrophobicContact CD2-CG1 3.52Å; F54-V138 HydrophobicContact CD2-CG2 3.92Å; F54-V138 HydrophobicContact CE1-CG2 4.42Å; F54-V138 HydrophobicContact CE2-CB 4.04Å; F54-V138 HydrophobicContact CE2-CG1 3.13Å; F54-V138 HydrophobicContact CE2-CG2 4.03Å; F54-V138 HydrophobicContact CG-CG1 4.38Å; F54-V138 HydrophobicContact CG-CG2 3.94Å; F54-V138 HydrophobicContact CZ-CB 4.31Å; F54-V138 HydrophobicContact CZ-CG1 3.79Å; F54-V138 HydrophobicContact CZ-CG2 4.21Å; F54-W142 AromaticContact CD2-NE1 3.93Å; F54-W142 AromaticContact CE1-NE1 3.91Å; F54-W142 AromaticContact CE2-CD1 3.16Å; F54-W142 AromaticContact CE2-CE2 3.95Å; F54-W142 HydrophobicContact CE2-CG 4.43Å; F54-W142 AromaticContact CE2-NE1 2.76Å; F54-W142 AromaticContact CZ-CD1 3.04Å; F54-W142 HydrophobicContact CZ-CD2 4.5Å; F54-W142 AromaticContact CZ-CE2 3.76Å; F54-W142 HydrophobicContact CZ-CG 4.09Å; F54-W142 AromaticContact CZ-NE1 2.79Å
55L95.7Very high92.5Very high0 Ų023.9 Ų23.90%013%0.133CC..Hα-helixtrans-59.6-44175-170.563.2000111.2L51 L52 G57 T58 H59 T104 T107 V108 L111 I276 Y280 L320L51-L55 WeakPolarHBondContact O-CB 3.01Å; L51-L55 PolarHBondContact O-N 2.97Å; L52-L55 PolarHBondContact O-N 2.73Å; L55-G57 VanDerWaalsContact C-N 3.33Å; L55-G57 PolarHBondContact O-N 3.03Å; L55-T58 WeakPolarHBondContact CA-OG1 3.17Å; L55-T58 PolarHBondContact O-N 3.36Å; L55-T58 PolarHBondContact O-OG1 3.2Å; L55-H59 PolarHBondContact O-CD2 3.38Å; L55-H59 PolarHBondContact O-N 3.32Å; L55-T104 HydrophobicContact CD1-CG2 3.97Å; L55-T107 HydrophobicContact CB-CG2 3.99Å; L55-T107 HydrophobicContact CD1-CG2 3.98Å; L55-T107 HydrophobicContact CG-CG2 4.49Å; L55-V108 HydrophobicContact CD1-CG2 4.35Å; L55-L111 HydrophobicContact CD2-CD1 3.91Å; L55-I276 HydrophobicContact CD2-CG2 4.25Å; L55-Y280 HydrophobicContact CD1-CE2 4.23Å; L55-Y280 HydrophobicContact CD2-CE2 3.99Å; L55-Y280 HydrophobicContact CG-CE2 4.37Å; L55-L320 HydrophobicContact CB-CD2 4.26Å; L55-L320 HydrophobicContact CD2-CD1 3.92Å; L55-L320 HydrophobicContact CD2-CD2 4.31Å; L55-L320 HydrophobicContact CG-CD2 4.13Å
56A96.6Very high93.6Very high0 Ų020.4 Ų20.40%012%0.117CC..Hα-helixtrans-59.8-42.4173.600000111.8N31 I34 I35 L52 C53 F54 T58 H59 I60 L320N31-A56 HydrophobicContact CB-CB 4.28Å; I34-A56 HydrophobicContact CG2-CB 4.36Å; I35-A56 HydrophobicContact CD1-CB 4.05Å; I35-A56 HydrophobicContact CG1-CB 3.73Å; L52-A56 PolarHBondContact O-N 3.44Å; C53-A56 PolarHBondContact O-N 3.21Å; F54-A56 VanDerWaalsContact C-N 3.33Å; F54-A56 PolarHBondContact O-N 2.88Å; A56-T58 PolarHBondContact O-N 3.39Å; A56-H59 PolarHBondContact O-N 2.85Å; A56-H59 VanDerWaalsContact O-N 3.16Å; A56-I60 WeakPolarHBondContact O-CG1 3.44Å; A56-I60 PolarHBondContact O-N 2.94Å; A56-L320 HydrophobicContact CB-CD2 3.73Å
57G96.4Very high93.9Very high22 Ų2216.3 Ų16.323%0.22710%0.099CC..Hα-helixtrans-59.8-42.3173.500000113.1C53 F54 L55 H59 I60 L61C53-G57 PolarHBondContact O-N 2.94Å; F54-G57 WeakPolarHBondContact O-CA 3.46Å; F54-G57 PolarHBondContact O-N 3.12Å; F54-G57 VanDerWaalsContact O-N 3.14Å; L55-G57 VanDerWaalsContact C-N 3.33Å; L55-G57 PolarHBondContact O-N 3.03Å; G57-H59 VanDerWaalsContact C-N 3.3Å; G57-H59 PolarHBondContact O-N 2.89Å; G57-I60 PolarHBondContact O-N 3.34Å; G57-L61 WeakPolarHBondContact O-CG 3.31Å; G57-L61 PolarHBondContact O-N 3.4Å
58T96.6Very high94.2Very high1 Ų117.5 Ų17.51%0.00611%0.106CC..Hα-helixtrans-63.1-35.7174.658.90000112.3F54 L55 A56 L61 M62 A103 W142F54-T58 HydrophobicContact CD1-CG2 4.22Å; F54-T58 HydrophobicContact CE1-CG2 3.98Å; F54-T58 PolarHBondContact O-N 3.31Å; L55-T58 WeakPolarHBondContact CA-OG1 3.17Å; L55-T58 PolarHBondContact O-N 3.36Å; L55-T58 PolarHBondContact O-OG1 3.2Å; A56-T58 PolarHBondContact O-N 3.39Å; T58-L61 PolarHBondContact O-N 2.77Å; T58-M62 WeakPolarHBondContact O-CB 3.24Å; T58-M62 PolarHBondContact O-N 3.17Å; T58-A103 HydrophobicContact CG2-CB 4.32Å; T58-W142 HydrophobicContact CG2-CH2 4.46Å; T58-W142 HydrophobicContact CG2-CZ2 3.81Å
59H96.6Very high94.3Very high2 Ų218.7 Ų18.71%0.00911%0.114CC..Hα-helixtrans-71.3-36.5175.3-67.1-32000113.1L55 A56 G57 L61 M62 A63 Y280 T317L55-H59 PolarHBondContact O-CD2 3.38Å; L55-H59 PolarHBondContact O-N 3.32Å; A56-H59 PolarHBondContact O-N 2.85Å; A56-H59 VanDerWaalsContact O-N 3.16Å; G57-H59 VanDerWaalsContact C-N 3.3Å; G57-H59 PolarHBondContact O-N 2.89Å; H59-L61 VanDerWaalsContact C-N 3.34Å; H59-M62 PolarHBondContact O-N 3.09Å; H59-A63 WeakPolarHBondContact O-CB 3.48Å; H59-A63 PolarHBondContact O-N 2.83Å; H59-Y280 AromaticContact CE1-CE2 3.62Å; H59-Y280 AromaticContact CE1-CZ 3.98Å; H59-Y280 AromaticContact NE2-CE2 3.3Å; H59-Y280 VanDerWaalsContact NE2-CE2 3.3Å; H59-Y280 WeakPolarHBondContact NE2-CE2 3.43Å; H59-Y280 AromaticContact NE2-CZ 3.42Å; H59-Y280 PolarHBondContact NE2-OH 3.48Å; H59-T317 HydrophobicContact CB-CG2 3.86Å
60I97.4Very high94.1Very high41 Ų4120 Ų2021%0.2112%0.12CC..Hα-helixtrans-58.6-49.1170.8-70.3171000109.5L28 N31 A32 I35 A56 G57 M62 A63 A64L28-I60 HydrophobicContact CD2-CB 4.29Å; L28-I60 HydrophobicContact CD2-CG2 3.72Å; L28-I60 WeakPolarHBondContact CD2-O 3.41Å; N31-I60 HydrophobicContact CB-CD1 4.15Å; N31-I60 HydrophobicContact CB-CG1 3.64Å; A32-I60 HydrophobicContact CB-CD1 4.28Å; I35-I60 HydrophobicContact CD1-CD1 3.68Å; A56-I60 WeakPolarHBondContact O-CG1 3.44Å; A56-I60 PolarHBondContact O-N 2.94Å; G57-I60 PolarHBondContact O-N 3.34Å; I60-M62 VanDerWaalsContact C-N 3.32Å; I60-M62 PolarHBondContact O-N 2.64Å; I60-A63 PolarHBondContact O-N 3.46Å; I60-A64 WeakPolarHBondContact O-CB 3.38Å; I60-A64 PolarHBondContact O-N 3.47Å
61L96.3Very high94Very high72 Ų7218.6 Ų18.638%0.37711%0.112SC..Hα-helixtrans-63.8-37178.4-70.2170.7000112.4G57 T58 H59 A64 V65 P66 L100 W142G57-L61 WeakPolarHBondContact O-CG 3.31Å; G57-L61 PolarHBondContact O-N 3.4Å; T58-L61 PolarHBondContact O-N 2.77Å; H59-L61 VanDerWaalsContact C-N 3.34Å; L61-A64 PolarHBondContact O-N 2.7Å; L61-V65 PolarHBondContact O-N 2.97Å; L61-P66 WeakPolarHBondContact O-CD 3.13Å; L61-L100 HydrophobicContact CB-CD1 3.96Å; L61-L100 HydrophobicContact CB-CD2 3.8Å; L61-L100 HydrophobicContact CD1-CD2 4.31Å; L61-W142 HydrophobicContact CD1-CH2 3.49Å; L61-W142 VanDerWaalsContact CD1-CH2 3.49Å; L61-W142 HydrophobicContact CD1-CZ2 3.91Å
62M95.3Very high93.8Very high5 Ų521.6 Ų21.63%0.02513%0.13CC..Hα-helixtrans-65.2-42.5177-171.467.4127.800111.5T58 H59 I60 P66 L67 Y97 L100 T317T58-M62 WeakPolarHBondContact O-CB 3.24Å; T58-M62 PolarHBondContact O-N 3.17Å; H59-M62 PolarHBondContact O-N 3.09Å; I60-M62 VanDerWaalsContact C-N 3.32Å; I60-M62 PolarHBondContact O-N 2.64Å; M62-P66 HydrophobicContact CG-CG 4.36Å; M62-P66 WeakPolarHBondContact O-CD 3.37Å; M62-P66 VanDerWaalsContact O-CG 3.26Å; M62-P66 WeakPolarHBondContact O-CG 3.35Å; M62-P66 HydrophobicContact SD-CG 3.47Å; M62-P66 WeakPolarHBondContact SD-CG 3.33Å; M62-L67 HydrophobicContact CG-CD1 4.11Å; M62-L67 HydrophobicContact CG-CG 4.45Å; M62-L67 WeakPolarHBondContact O-CB 3.49Å; M62-L67 VanDerWaalsContact O-CG 3.28Å; M62-L67 WeakPolarHBondContact O-CG 3.48Å; M62-L67 PolarHBondContact O-N 3.23Å; M62-Y97 HydrophobicContact CE-CD2 3.79Å; M62-Y97 HydrophobicContact CE-CE2 3.48Å; M62-Y97 VanDerWaalsContact CE-CE2 3.48Å; M62-Y97 HydrophobicContact SD-CD2 3.94Å; M62-Y97 HydrophobicContact SD-CE2 4.16Å; M62-L100 VanDerWaalsContact CA-CD1 3.48Å; M62-L100 HydrophobicContact CB-CD1 3.99Å; M62-L100 HydrophobicContact CE-CB 4.43Å; M62-L100 HydrophobicContact SD-CB 3.98Å; M62-L100 HydrophobicContact SD-CD1 4.01Å; M62-T317 HydrophobicContact CB-CG2 4.07Å; M62-T317 HydrophobicContact CG-CG2 4.12Å
63A95.4Very high93.4Very high0 Ų021.6 Ų21.60%013%0.131CC..Iπ-helixtrans-67-47173.800000111.6A27 L28 H59 I60 T68A27-A63 HydrophobicContact CB-CB 4.12Å; L28-A63 HydrophobicContact CD2-CB 3.9Å; L28-A63 HydrophobicContact CG-CB 4.09Å; H59-A63 WeakPolarHBondContact O-CB 3.48Å; H59-A63 PolarHBondContact O-N 2.83Å; I60-A63 PolarHBondContact O-N 3.46Å; A63-T68 WeakPolarHBondContact O-CG2 3.22Å; A63-T68 PolarHBondContact O-N 3.48Å
64A95.2Very high93Very high41 Ų4122.4 Ų22.434%0.33913%0.132SC..Iπ-helixtrans-72.5-29-171.500000114.6L28 I60 L61 T68L28-A64 HydrophobicContact CD2-CB 3.92Å; I60-A64 WeakPolarHBondContact O-CB 3.38Å; I60-A64 PolarHBondContact O-N 3.47Å; L61-A64 PolarHBondContact O-N 2.7Å; A64-T68 PolarHBondContact O-OG1 2.93Å
65V93.8Very high92.5Very high43 Ų4322.6 Ų22.626%0.26114%0.135SC..Iπ-helixtrans-111.3-75.4-173.3-176.70000112L61 T68 T69 T96L61-V65 PolarHBondContact O-N 2.97Å; V65-T68 PolarHBondContact O-OG1 3.22Å; V65-T68 VanDerWaalsContact O-OG1 3.06Å; V65-T69 WeakPolarHBondContact O-CB 3.33Å; V65-T69 PolarHBondContact O-N 3.06Å; V65-T69 PolarHBondContact O-OG1 3.42Å; V65-T96 HydrophobicContact CB-CG2 4Å; V65-T96 HydrophobicContact CG1-CG2 3.77Å
66P92.6Very high92.1Very high0 Ų028.8 Ų28.80%016%0.158CC..Iπ-helixtrans-69.5-41.4-172.825.3-33.1000113.1L61 M62 F70 F93 Y97 L100L61-P66 WeakPolarHBondContact O-CD 3.13Å; M62-P66 HydrophobicContact CG-CG 4.36Å; M62-P66 WeakPolarHBondContact O-CD 3.37Å; M62-P66 VanDerWaalsContact O-CG 3.26Å; M62-P66 WeakPolarHBondContact O-CG 3.35Å; M62-P66 HydrophobicContact SD-CG 3.47Å; M62-P66 WeakPolarHBondContact SD-CG 3.33Å; P66-F70 WeakPolarHBondContact O-CB 3.36Å; P66-F70 PolarHBondContact O-N 3.26Å; P66-F93 HydrophobicContact CB-CD2 3.83Å; P66-F93 HydrophobicContact CB-CE2 3.84Å; P66-F93 VanDerWaalsContact O-CE2 3.3Å; P66-F93 WeakPolarHBondContact O-CE2 3.14Å; P66-Y97 HydrophobicContact CB-CD2 4.18Å; P66-Y97 HydrophobicContact CG-CD2 4.42Å; P66-L100 HydrophobicContact CG-CD1 4.2Å
67L91.3Very high91.4Very high6 Ų633.3 Ų33.33%0.03118%0.175CC..Iπ-helixtrans-70.3-43.3-176.3-65.8174.4000112.5M62 A71 L310 M314M62-L67 HydrophobicContact CG-CD1 4.11Å; M62-L67 HydrophobicContact CG-CG 4.45Å; M62-L67 WeakPolarHBondContact O-CB 3.49Å; M62-L67 VanDerWaalsContact O-CG 3.28Å; M62-L67 WeakPolarHBondContact O-CG 3.48Å; M62-L67 PolarHBondContact O-N 3.23Å; L67-A71 WeakPolarHBondContact O-CB 3.5Å; L67-A71 PolarHBondContact O-N 3.32Å; L67-L310 HydrophobicContact CD2-CB 4.5Å; L67-L310 HydrophobicContact CD2-CD2 4.2Å; L67-M314 HydrophobicContact CB-CE 4.02Å; L67-M314 HydrophobicContact CD1-CB 4.33Å; L67-M314 HydrophobicContact CD1-CE 3.75Å; L67-M314 HydrophobicContact CD1-SD 3.96Å; L67-M314 HydrophobicContact CD2-CE 4.46Å; L67-M314 HydrophobicContact CG-CE 4.29Å
68T92.3Very high90.4Very high38 Ų3835.4 Ų35.423%0.23318%0.179CC..Hα-helixtrans-65.1-44.8172.8500000112.2A63 A64 V65 F70 A71 V72A63-T68 WeakPolarHBondContact O-CG2 3.22Å; A63-T68 PolarHBondContact O-N 3.48Å; A64-T68 PolarHBondContact O-OG1 2.93Å; V65-T68 PolarHBondContact O-OG1 3.22Å; V65-T68 VanDerWaalsContact O-OG1 3.06Å; T68-F70 VanDerWaalsContact C-N 3.28Å; T68-F70 PolarHBondContact O-N 3.48Å; T68-A71 PolarHBondContact O-N 3.43Å; T68-V72 WeakPolarHBondContact O-CB 3.21Å; T68-V72 VanDerWaalsContact O-CG2 3.3Å; T68-V72 WeakPolarHBondContact O-CG2 3.31Å; T68-V72 PolarHBondContact O-N 3Å
69T90.8Very high89.6Confident33 Ų3339 Ų3920%0.20221%0.209CC..Hα-helixtrans-58-46.1178.7-61.10000110V65 V72 V73 W85 I89 F93V65-T69 WeakPolarHBondContact O-CB 3.33Å; V65-T69 PolarHBondContact O-N 3.06Å; V65-T69 PolarHBondContact O-OG1 3.42Å; T69-V72 PolarHBondContact O-N 3.2Å; T69-V73 HydrophobicContact CG2-CG2 4.44Å; T69-V73 WeakPolarHBondContact O-CB 3.43Å; T69-V73 VanDerWaalsContact O-CG2 3.29Å; T69-V73 WeakPolarHBondContact O-CG2 3.23Å; T69-V73 PolarHBondContact O-N 2.84Å; T69-W85 HydrophobicContact CG2-CH2 4.27Å; T69-W85 HydrophobicContact CG2-CZ3 4.02Å; T69-I89 HydrophobicContact CG2-CG2 3.58Å; T69-F93 HydrophobicContact CG2-CB 4.37Å
70F87.9Confident88.8Confident27 Ų2741.7 Ų41.712%0.11823%0.228CC..Hα-helixtrans-61.6-46.9176.9-166.7-85.5000111.8W20 P66 T68 V72 V73 Q74 W85 F93 L310W20-F70 AromaticContact CE3-CD1 3.86Å; W20-F70 HydrophobicContact CE3-CD1 3.86Å; W20-F70 HydrophobicContact CE3-CE1 4.29Å; W20-F70 AromaticContact CH2-CD1 3.53Å; W20-F70 HydrophobicContact CH2-CD1 3.53Å; W20-F70 AromaticContact CH2-CE1 3.21Å; W20-F70 HydrophobicContact CH2-CE1 3.21Å; W20-F70 HydrophobicContact CH2-CZ 4.32Å; W20-F70 HydrophobicContact CZ2-CD1 4.49Å; W20-F70 HydrophobicContact CZ2-CE1 4.35Å; W20-F70 AromaticContact CZ3-CD1 3.17Å; W20-F70 HydrophobicContact CZ3-CD1 3.17Å; W20-F70 AromaticContact CZ3-CE1 3.19Å; W20-F70 HydrophobicContact CZ3-CE1 3.19Å; P66-F70 WeakPolarHBondContact O-CB 3.36Å; P66-F70 PolarHBondContact O-N 3.26Å; T68-F70 VanDerWaalsContact C-N 3.28Å; T68-F70 PolarHBondContact O-N 3.48Å; F70-V72 PolarHBondContact O-N 3.39Å; F70-V73 PolarHBondContact O-N 2.93Å; F70-Q74 HydrophobicContact CD1-CG 3.92Å; F70-Q74 HydrophobicContact CE1-CG 3.59Å; F70-Q74 HydrophobicContact CZ-CG 4.2Å; F70-Q74 WeakPolarHBondContact O-CB 3.35Å; F70-Q74 WeakPolarHBondContact O-CG 3.22Å; F70-Q74 PolarHBondContact O-N 3.5Å; F70-W85 HydrophobicContact CD2-CH2 4.33Å; F70-W85 HydrophobicContact CD2-CZ2 4.01Å; F70-W85 HydrophobicContact CE2-CZ2 4.4Å; F70-F93 HydrophobicContact CB-CE2 3.99Å; F70-F93 HydrophobicContact CB-CZ 4.41Å; F70-F93 HydrophobicContact CD2-CE1 4.37Å; F70-F93 HydrophobicContact CD2-CE2 4.17Å; F70-F93 AromaticContact CD2-CZ 3.74Å; F70-F93 HydrophobicContact CD2-CZ 3.74Å; F70-F93 HydrophobicContact CG-CZ 4.49Å; F70-L310 HydrophobicContact CD1-CD1 3.86Å; F70-L310 HydrophobicContact CD2-CD1 3.64Å; F70-L310 HydrophobicContact CE1-CD1 3.88Å; F70-L310 HydrophobicContact CE2-CD1 3.62Å; F70-L310 HydrophobicContact CG-CD1 3.75Å; F70-L310 HydrophobicContact CZ-CD1 3.74Å
71A88.9Confident87.6Confident0 Ų045.3 Ų45.30%026%0.257CS..Hα-helixtrans-62.4-42.8178.900000112.7W20 L21 L67 T68 Q74 L75W20-A71 HydrophobicContact CB-CB 3.99Å; W20-A71 HydrophobicContact CE3-CB 4.17Å; L21-A71 HydrophobicContact CD2-CB 3.76Å; L21-A71 HydrophobicContact CG-CB 3.93Å; L67-A71 WeakPolarHBondContact O-CB 3.5Å; L67-A71 PolarHBondContact O-N 3.32Å; T68-A71 PolarHBondContact O-N 3.43Å; A71-Q74 PolarHBondContact O-N 2.85Å; A71-L75 WeakPolarHBondContact O-CG 3.39Å; A71-L75 PolarHBondContact O-N 3.38Å
72V89.2Confident86.6Confident67 Ų6749.6 Ų49.641%0.40628%0.28SS..Hα-helixtrans-65.1-45.9178.31710000110.9T68 T69 F70 Q74 L75 R76T68-V72 WeakPolarHBondContact O-CB 3.21Å; T68-V72 VanDerWaalsContact O-CG2 3.3Å; T68-V72 WeakPolarHBondContact O-CG2 3.31Å; T68-V72 PolarHBondContact O-N 3Å; T69-V72 PolarHBondContact O-N 3.2Å; F70-V72 PolarHBondContact O-N 3.39Å; V72-Q74 VanDerWaalsContact C-N 3.28Å; V72-Q74 PolarHBondContact O-N 2.76Å; V72-L75 PolarHBondContact O-N 3.14Å; V72-R76 HydrophobicContact CG1-CG 4.13Å; V72-R76 WeakPolarHBondContact O-CB 3.18Å; V72-R76 VanDerWaalsContact O-CG 3.23Å; V72-R76 WeakPolarHBondContact O-CG 3.33Å; V72-R76 PolarHBondContact O-N 3.45Å
73V85.9Confident85.7Confident3 Ų352.1 Ų52.12%0.01829%0.29CS..Hα-helixtrans-61.7-40.3178.41720000111T69 F70 R76 R77 Y83 W85T69-V73 HydrophobicContact CG2-CG2 4.44Å; T69-V73 WeakPolarHBondContact O-CB 3.43Å; T69-V73 VanDerWaalsContact O-CG2 3.29Å; T69-V73 WeakPolarHBondContact O-CG2 3.23Å; T69-V73 PolarHBondContact O-N 2.84Å; F70-V73 PolarHBondContact O-N 2.93Å; V73-R76 PolarHBondContact O-N 2.67Å; V73-R77 WeakPolarHBondContact O-CB 3.19Å; V73-R77 PolarHBondContact O-N 2.98Å; V73-Y83 HydrophobicContact CG1-CE1 4.23Å; V73-Y83 HydrophobicContact CG2-CE1 4.34Å; V73-W85 HydrophobicContact CB-CH2 4.25Å; V73-W85 HydrophobicContact CB-CZ2 3.98Å; V73-W85 HydrophobicContact CG1-CD2 3.92Å; V73-W85 HydrophobicContact CG1-CG 4.26Å; V73-W85 HydrophobicContact CG1-CH2 4.46Å; V73-W85 HydrophobicContact CG1-CZ2 3.82Å; V73-W85 HydrophobicContact CG2-CD2 4.37Å; V73-W85 HydrophobicContact CG2-CE3 4.19Å; V73-W85 HydrophobicContact CG2-CH2 4.03Å; V73-W85 HydrophobicContact CG2-CZ2 4.21Å; V73-W85 HydrophobicContact CG2-CZ3 4.02Å
74Q83.8Confident84.8Confident38 Ų3855.6 Ų55.618%0.17831%0.308CS..Hα-helixtrans-63.8-41.8176.2-68.7-68.998.900112.3A17 W20 F70 A71 V72 Q78A17-Q74 HydrophobicContact CB-CB 4.39Å; W20-Q74 HydrophobicContact CZ3-CG 4.39Å; F70-Q74 HydrophobicContact CD1-CG 3.92Å; F70-Q74 HydrophobicContact CE1-CG 3.59Å; F70-Q74 HydrophobicContact CZ-CG 4.2Å; F70-Q74 WeakPolarHBondContact O-CB 3.35Å; F70-Q74 WeakPolarHBondContact O-CG 3.22Å; F70-Q74 PolarHBondContact O-N 3.5Å; A71-Q74 PolarHBondContact O-N 2.85Å; V72-Q74 VanDerWaalsContact C-N 3.28Å; V72-Q74 PolarHBondContact O-N 2.76Å; Q74-Q78 WeakPolarHBondContact O-CG 3.39Å; Q74-Q78 PolarHBondContact O-N 3.45Å
75L85.1Confident84.2Confident36 Ų3654.7 Ų54.719%0.18830%0.296CS..Hα-helixtrans-65.1-40.7174.9-74170.2000112.5A17 L21 A71 V72 Q78 A79A17-L75 HydrophobicContact CB-CD1 4.49Å; A17-L75 HydrophobicContact CB-CD2 3.8Å; A17-L75 HydrophobicContact CB-CG 3.75Å; L21-L75 HydrophobicContact CD1-CD1 3.52Å; A71-L75 WeakPolarHBondContact O-CG 3.39Å; A71-L75 PolarHBondContact O-N 3.38Å; V72-L75 PolarHBondContact O-N 3.14Å; L75-Q78 WeakPolarHBondContact O-CB 3.38Å; L75-Q78 PolarHBondContact O-N 3.42Å; L75-A79 PolarHBondContact O-N 3.48Å
76R86.3Confident83.6Confident130 Ų13056.6 Ų56.649%0.49131%0.305SS..Hα-helixtrans-70.1-38.6-179.2-68.1-68.5-68-171.6-2.3112V72 V73 Q78 A79 S80 Y83V72-R76 HydrophobicContact CG1-CG 4.13Å; V72-R76 WeakPolarHBondContact O-CB 3.18Å; V72-R76 VanDerWaalsContact O-CG 3.23Å; V72-R76 WeakPolarHBondContact O-CG 3.33Å; V72-R76 PolarHBondContact O-N 3.45Å; V73-R76 PolarHBondContact O-N 2.67Å; R76-Q78 PolarHBondContact O-N 3.5Å; R76-A79 PolarHBondContact O-N 3Å; R76-S80 PolarHBondContact O-N 3.31Å; R76-Y83 HydrophobicContact CB-CD1 3.31Å; R76-Y83 HydrophobicContact CB-CD2 4.44Å; R76-Y83 HydrophobicContact CB-CE1 3.44Å; R76-Y83 VanDerWaalsContact CB-CE1 3.44Å; R76-Y83 HydrophobicContact CB-CG 3.85Å; R76-Y83 HydrophobicContact CG-CD1 4.45Å; R76-Y83 HydrophobicContact CG-CE1 4.17Å
77R82Confident83Confident94 Ų9461.2 Ų61.236%0.35533%0.326SS..Hα-helixtrans-58-36.1171.2-92.9177.4154.7-163.4-10.3113V73 S80 Y83 D84V73-R77 WeakPolarHBondContact O-CB 3.19Å; V73-R77 PolarHBondContact O-N 2.98Å; R77-S80 CarbonylContact C-O 3.58Å; R77-S80 CarbonylContact O-C 3.51Å; R77-S80 VanDerWaalsContact O-C 3.29Å; R77-S80 VanDerWaalsContact O-O 3.06Å; R77-Y83 HydrophobicContact CG-CD1 4.37Å; R77-Y83 WeakPolarHBondContact CG-O 3.25Å; R77-D84 IonicContact CZ-OD1 3.6Å; R77-D84 IonicContact NE-OD1 2.68Å; R77-D84 IonicContact NH2-OD1 3.41Å; R77-D84 PolarHBondContact NH2-OD1 3.33Å
78Q75.3Confident82.5Confident66 Ų6664.6 Ų64.631%0.30835%0.35SS..Hα-helixtrans-72.3-44.8175.3-70.3172.4-11.600112.2H14 Q74 L75 R76 S80H14-Q78 PolarHBondContact ND1-OE1 3.19Å; Q74-Q78 WeakPolarHBondContact O-CG 3.39Å; Q74-Q78 PolarHBondContact O-N 3.45Å; L75-Q78 WeakPolarHBondContact O-CB 3.38Å; L75-Q78 PolarHBondContact O-N 3.42Å; R76-Q78 PolarHBondContact O-N 3.5Å; Q78-S80 PolarHBondContact O-N 3.13Å
79A80.5Confident82.1Confident77 Ų7765.1 Ų65.164%0.63635%0.352SS*.Hα-helixtrans-68.4-26.4179.700000112.6L75 R76L75-A79 PolarHBondContact O-N 3.48Å; R76-A79 PolarHBondContact O-N 3Å
80S78.8Confident81.8Confident59 Ų5963.7 Ų63.741%0.41334%0.343SS..  trans-146.2108178.8-59.10000109.1R76 R77 Q78 D82 Y83R76-S80 PolarHBondContact O-N 3.31Å; R77-S80 CarbonylContact C-O 3.58Å; R77-S80 CarbonylContact O-C 3.51Å; R77-S80 VanDerWaalsContact O-C 3.29Å; R77-S80 VanDerWaalsContact O-O 3.06Å; Q78-S80 PolarHBondContact O-N 3.13Å; S80-D82 PolarHBondContact O-N 3.01Å; S80-Y83 WeakPolarHBondContact O-CB 2.92Å; S80-Y83 PolarHBondContact O-N 2.89Å
81S72.1Confident81.6Confident116 Ų11665 Ų6581%0.81135%0.348SS*.THydrogen-bonded Turntrans-58.1-20.9179-174.90000113.4
82D75.9Confident81.5Confident162 Ų16268.6 Ų68.687%0.86637%0.37SS*.THydrogen-bonded Turntrans-87.3-5.5178.2-69.5-14.5000113.5S80 D84S80-D82 PolarHBondContact O-N 3.01Å; D82-D84 PolarHBondContact O-N 2.97Å
83Y77.3Confident81.4Confident58 Ų5865.6 Ų65.623%0.22735%0.352CS..  trans-78.9110.8177.6-174.8-97.2000110.2V73 R76 R77 S80V73-Y83 HydrophobicContact CG1-CE1 4.23Å; V73-Y83 HydrophobicContact CG2-CE1 4.34Å; R76-Y83 HydrophobicContact CB-CD1 3.31Å; R76-Y83 HydrophobicContact CB-CD2 4.44Å; R76-Y83 HydrophobicContact CB-CE1 3.44Å; R76-Y83 VanDerWaalsContact CB-CE1 3.44Å; R76-Y83 HydrophobicContact CB-CG 3.85Å; R76-Y83 HydrophobicContact CG-CD1 4.45Å; R76-Y83 HydrophobicContact CG-CE1 4.17Å; R77-Y83 HydrophobicContact CG-CD1 4.37Å; R77-Y83 WeakPolarHBondContact CG-O 3.25Å; S80-Y83 WeakPolarHBondContact O-CB 2.92Å; S80-Y83 PolarHBondContact O-N 2.89Å
84D76.6Confident81.4Confident73 Ų7365.5 Ų65.539%0.3935%0.351SS..  trans-114169176.1-1550.6000112R77 D82 N86R77-D84 IonicContact CZ-OD1 3.6Å; R77-D84 IonicContact NE-OD1 2.68Å; R77-D84 IonicContact NH2-OD1 3.41Å; R77-D84 PolarHBondContact NH2-OD1 3.33Å; D82-D84 PolarHBondContact O-N 2.97Å; D84-N86 PolarHBondContact O-N 2.67Å
85W81.8Confident81.6Confident23 Ų2364.6 Ų64.69%0.08735%0.349CS..  trans-60.6123.9175.7-77.390.9000111.3T69 F70 V73 I89 C90 F93 C168T69-W85 HydrophobicContact CG2-CH2 4.27Å; T69-W85 HydrophobicContact CG2-CZ3 4.02Å; F70-W85 HydrophobicContact CD2-CH2 4.33Å; F70-W85 HydrophobicContact CD2-CZ2 4.01Å; F70-W85 HydrophobicContact CE2-CZ2 4.4Å; V73-W85 HydrophobicContact CB-CH2 4.25Å; V73-W85 HydrophobicContact CB-CZ2 3.98Å; V73-W85 HydrophobicContact CG1-CD2 3.92Å; V73-W85 HydrophobicContact CG1-CG 4.26Å; V73-W85 HydrophobicContact CG1-CH2 4.46Å; V73-W85 HydrophobicContact CG1-CZ2 3.82Å; V73-W85 HydrophobicContact CG2-CD2 4.37Å; V73-W85 HydrophobicContact CG2-CE3 4.19Å; V73-W85 HydrophobicContact CG2-CH2 4.03Å; V73-W85 HydrophobicContact CG2-CZ2 4.21Å; V73-W85 HydrophobicContact CG2-CZ3 4.02Å; W85-I89 HydrophobicContact CE3-CG2 4.08Å; W85-I89 HydrophobicContact CZ3-CG2 3.95Å; W85-C90 HydrophobicContact CE3-CB 4.1Å; W85-F93 HydrophobicContact CH2-CB 4.43Å; W85-F93 AromaticContact CH2-CD1 3.97Å; W85-F93 HydrophobicContact CH2-CD1 3.97Å; W85-F93 HydrophobicContact CH2-CD2 4.35Å; W85-F93 HydrophobicContact CH2-CE1 4.3Å; W85-F93 AromaticContact CH2-CG 3.99Å; W85-F93 HydrophobicContact CH2-CG 3.99Å; W85-F93 HydrophobicContact CZ3-CB 4.03Å; W85-F93 HydrophobicContact CZ3-CD1 4.16Å; W85-F93 HydrophobicContact CZ3-CG 4.07Å; W85-C168 HydrophobicContact CB-CB 3.76Å; W85-C168 HydrophobicContact CD2-CB 3.23Å; W85-C168 HydrophobicContact CE3-CB 3.7Å; W85-C168 HydrophobicContact CG-CB 3.26Å; W85-C168 HydrophobicContact CZ2-CB 4.35Å; W85-C168 HydrophobicContact CZ3-CB 4.41Å
86N81.3Confident81.9Confident83 Ų8364.4 Ų64.444%0.44435%0.349SS..  trans-72143.3166.5-65.9-27.3000110D84 S88 I89 C90D84-N86 PolarHBondContact O-N 2.67Å; N86-S88 VanDerWaalsContact C-N 3.31Å; N86-S88 PolarHBondContact O-N 3.34Å; N86-I89 HydrophobicContact CB-CB 4.16Å; N86-I89 HydrophobicContact CB-CD1 3.89Å; N86-I89 HydrophobicContact CB-CG1 3.91Å; N86-I89 WeakPolarHBondContact ND2-CD1 3.44Å; N86-I89 PolarHBondContact O-N 3.19Å; N86-C90 PolarHBondContact O-N 2.66Å
87E79.9Confident82.2Confident96 Ų9658.2 Ų58.245%0.44933%0.326SS..Hα-helixtrans-55.4-44.8178.2163.1166.6-171.100112.3C90 K91 Y164E87-C90 PolarHBondContact O-N 3.13Å; E87-K91 HydrophobicContact CG-CD 4.11Å; E87-K91 WeakPolarHBondContact O-CB 3.37Å; E87-K91 WeakPolarHBondContact O-CG 3.43Å; E87-K91 PolarHBondContact O-N 2.93Å; E87-K91 WeakPolarHBondContact OE1-CE 3.35Å; E87-K91 IonicContact OE1-NZ 3.83Å; E87-K91 PolarHBondContact OE1-NZ 3.31Å; E87-Y164 HydrophobicContact CG-CG 4.17Å
88S81.6Confident82.6Confident77 Ų7754.1 Ų54.154%0.53831%0.311SS..Hα-helixtrans-64.6-43.3178.8540000112.5N86 K91 V92N86-S88 VanDerWaalsContact C-N 3.31Å; N86-S88 PolarHBondContact O-N 3.34Å; S88-K91 PolarHBondContact O-N 3.45Å; S88-V92 WeakPolarHBondContact O-CG2 3.21Å; S88-V92 PolarHBondContact O-N 2.81Å
89I83.9Confident83.5Confident50 Ų5051.3 Ų51.326%0.25630%0.298SS..Hα-helixtrans-66.4-42.1179.5-61.6178.3000110.2T69 W85 N86 V92 F93T69-I89 HydrophobicContact CG2-CG2 3.58Å; W85-I89 HydrophobicContact CE3-CG2 4.08Å; W85-I89 HydrophobicContact CZ3-CG2 3.95Å; N86-I89 HydrophobicContact CB-CB 4.16Å; N86-I89 HydrophobicContact CB-CD1 3.89Å; N86-I89 HydrophobicContact CB-CG1 3.91Å; N86-I89 WeakPolarHBondContact ND2-CD1 3.44Å; N86-I89 PolarHBondContact O-N 3.19Å; I89-V92 PolarHBondContact O-N 2.9Å; I89-F93 VanDerWaalsContact O-CB 3.27Å; I89-F93 WeakPolarHBondContact O-CB 3.14Å; I89-F93 PolarHBondContact O-N 2.93Å
90C83.8Confident84.2Confident2 Ų247.8 Ų47.81%0.01427%0.268CS..Hα-helixtrans-64.4-43.7176.7-177.40000111.9W85 N86 E87 V92 F93 V94 Y164 C168W85-C90 HydrophobicContact CE3-CB 4.1Å; N86-C90 PolarHBondContact O-N 2.66Å; E87-C90 PolarHBondContact O-N 3.13Å; C90-V92 PolarHBondContact O-N 3.08Å; C90-F93 PolarHBondContact O-N 3.44Å; C90-V94 WeakPolarHBondContact O-CB 3.34Å; C90-V94 VanDerWaalsContact O-CG2 3.29Å; C90-V94 WeakPolarHBondContact O-CG2 3.17Å; C90-V94 PolarHBondContact O-N 3.43Å; C90-Y164 HydrophobicContact CB-CD1 3.89Å; C90-Y164 HydrophobicContact CB-CE1 4.29Å; C90-Y164 VanDerWaalsContact SG-CD1 3.59Å; C90-C168 VanDerWaalsContact CA-SG 3.54Å; C90-C168 HydrophobicContact CB-CB 3.67Å; C90-C168 WeakPolarHBondContact CB-SG 3.4Å; C90-C168 WeakPolarHBondContact SG-CA 3.47Å; C90-C168 WeakPolarHBondContact SG-CB 3.48Å; C90-C168 CovalentContact SG-SG 2.04Å; C90-C168 PolarHBondContact SG-SG 2.9Å
91K83.8Confident85Confident55 Ų5545.4 Ų45.424%0.23925%0.252CS..Hα-helixtrans-55.2-50.7175-81172.81731740111.6E87 S88 V94 S95 Y164E87-K91 HydrophobicContact CG-CD 4.11Å; E87-K91 WeakPolarHBondContact O-CB 3.37Å; E87-K91 WeakPolarHBondContact O-CG 3.43Å; E87-K91 PolarHBondContact O-N 2.93Å; E87-K91 WeakPolarHBondContact OE1-CE 3.35Å; E87-K91 IonicContact OE1-NZ 3.83Å; E87-K91 PolarHBondContact OE1-NZ 3.31Å; S88-K91 PolarHBondContact O-N 3.45Å; K91-V94 PolarHBondContact O-N 2.93Å; K91-S95 WeakPolarHBondContact O-CB 3.41Å; K91-S95 PolarHBondContact O-N 3.41Å; K91-S95 PolarHBondContact O-OG 2.86Å; K91-S95 VanDerWaalsContact O-OG 3.04Å; K91-Y164 HydrophobicContact CB-CE1 4.31Å; K91-Y164 HydrophobicContact CD-CD2 4.17Å; K91-Y164 HydrophobicContact CD-CE2 4.1Å; K91-Y164 HydrophobicContact CG-CD1 3.84Å; K91-Y164 HydrophobicContact CG-CD2 3.85Å; K91-Y164 HydrophobicContact CG-CE1 3.52Å; K91-Y164 HydrophobicContact CG-CE2 3.53Å; K91-Y164 HydrophobicContact CG-CG 3.99Å
92V85.8Confident86Confident76 Ų7639.9 Ų39.946%0.46121%0.214SC..Hα-helixtrans-64-43.5179.4173.40000111.5S88 I89 C90 S95 T96S88-V92 WeakPolarHBondContact O-CG2 3.21Å; S88-V92 PolarHBondContact O-N 2.81Å; I89-V92 PolarHBondContact O-N 2.9Å; C90-V92 PolarHBondContact O-N 3.08Å; V92-S95 PolarHBondContact O-OG 3Å; V92-T96 WeakPolarHBondContact O-CB 3.44Å; V92-T96 PolarHBondContact O-N 3.24Å; V92-T96 PolarHBondContact O-OG1 3.44Å
93F88.3Confident87Confident3 Ų332.2 Ų32.21%0.01317%0.172CC..Hα-helixtrans-58.1-52.5177.4167.3-108.8000111.4P66 T69 F70 W85 I89 C90 Y97 F170 L310P66-F93 HydrophobicContact CB-CD2 3.83Å; P66-F93 HydrophobicContact CB-CE2 3.84Å; P66-F93 VanDerWaalsContact O-CE2 3.3Å; P66-F93 WeakPolarHBondContact O-CE2 3.14Å; T69-F93 HydrophobicContact CG2-CB 4.37Å; F70-F93 HydrophobicContact CB-CE2 3.99Å; F70-F93 HydrophobicContact CB-CZ 4.41Å; F70-F93 HydrophobicContact CD2-CE1 4.37Å; F70-F93 HydrophobicContact CD2-CE2 4.17Å; F70-F93 AromaticContact CD2-CZ 3.74Å; F70-F93 HydrophobicContact CD2-CZ 3.74Å; F70-F93 HydrophobicContact CG-CZ 4.49Å; W85-F93 HydrophobicContact CH2-CB 4.43Å; W85-F93 AromaticContact CH2-CD1 3.97Å; W85-F93 HydrophobicContact CH2-CD1 3.97Å; W85-F93 HydrophobicContact CH2-CD2 4.35Å; W85-F93 HydrophobicContact CH2-CE1 4.3Å; W85-F93 AromaticContact CH2-CG 3.99Å; W85-F93 HydrophobicContact CH2-CG 3.99Å; W85-F93 HydrophobicContact CZ3-CB 4.03Å; W85-F93 HydrophobicContact CZ3-CD1 4.16Å; W85-F93 HydrophobicContact CZ3-CG 4.07Å; I89-F93 VanDerWaalsContact O-CB 3.27Å; I89-F93 WeakPolarHBondContact O-CB 3.14Å; I89-F93 PolarHBondContact O-N 2.93Å; C90-F93 PolarHBondContact O-N 3.44Å; F93-Y97 VanDerWaalsContact O-CB 3.31Å; F93-Y97 WeakPolarHBondContact O-CB 3.45Å; F93-Y97 PolarHBondContact O-N 3.36Å; F93-F170 HydrophobicContact CD1-CD2 4.35Å; F93-F170 AromaticContact CE1-CD2 3.38Å; F93-F170 HydrophobicContact CE1-CD2 3.38Å; F93-F170 AromaticContact CE1-CE2 3.9Å; F93-F170 HydrophobicContact CE1-CE2 3.9Å; F93-F170 HydrophobicContact CE1-CG 4.32Å; F93-F170 AromaticContact CZ-CD2 3.68Å; F93-F170 HydrophobicContact CZ-CD2 3.68Å; F93-F170 AromaticContact CZ-CE2 3.74Å; F93-F170 HydrophobicContact CZ-CE2 3.74Å; F93-L310 HydrophobicContact CZ-CD2 4.4Å
94V85.6Confident88Confident2 Ų229.7 Ų29.71%0.01216%0.163CC..Hα-helixtrans-64-50.3-178.3170.80000111C90 K91 T96 Y97 Y98 I175C90-V94 WeakPolarHBondContact O-CB 3.34Å; C90-V94 VanDerWaalsContact O-CG2 3.29Å; C90-V94 WeakPolarHBondContact O-CG2 3.17Å; C90-V94 PolarHBondContact O-N 3.43Å; K91-V94 PolarHBondContact O-N 2.93Å; V94-T96 VanDerWaalsContact C-N 3.33Å; V94-T96 PolarHBondContact O-N 2.65Å; V94-Y97 PolarHBondContact O-N 3.01Å; V94-Y98 HydrophobicContact CG1-CD2 3.72Å; V94-Y98 HydrophobicContact CG1-CE2 3.7Å; V94-Y98 WeakPolarHBondContact O-CD2 3.45Å; V94-Y98 PolarHBondContact O-N 3.4Å; V94-Y98 VanDerWaalsContact O-N 3.13Å; V94-I175 HydrophobicContact CG1-CD1 3.78Å
95S87.6Confident88.9Confident19 Ų1926.7 Ų26.713%0.13315%0.148CC..Hα-helixtrans-62.8-41.7-178.567.10000111.7K91 V92 T99 S149K91-S95 WeakPolarHBondContact O-CB 3.41Å; K91-S95 PolarHBondContact O-N 3.41Å; K91-S95 PolarHBondContact O-OG 2.86Å; K91-S95 VanDerWaalsContact O-OG 3.04Å; V92-S95 PolarHBondContact O-OG 3Å; S95-T99 WeakPolarHBondContact O-CB 3.37Å; S95-T99 PolarHBondContact O-N 2.87Å; S95-T99 PolarHBondContact O-OG1 2.92Å; S95-S149 WeakPolarHBondContact CB-O 3.39Å; S95-S149 VanDerWaalsContact O-CB 3.26Å; S95-S149 WeakPolarHBondContact O-CB 3.3Å
96T91.9Very high89.6Confident31 Ų3127.4 Ų27.419%0.1915%0.152CC..Hα-helixtrans-70.2-42.8-178.6-53.20000111V65 V92 V94 Y98 T99 L100V65-T96 HydrophobicContact CB-CG2 4Å; V65-T96 HydrophobicContact CG1-CG2 3.77Å; V92-T96 WeakPolarHBondContact O-CB 3.44Å; V92-T96 PolarHBondContact O-N 3.24Å; V92-T96 PolarHBondContact O-OG1 3.44Å; V94-T96 VanDerWaalsContact C-N 3.33Å; V94-T96 PolarHBondContact O-N 2.65Å; T96-Y98 PolarHBondContact O-N 3.39Å; T96-T99 PolarHBondContact O-N 2.9Å; T96-L100 HydrophobicContact CG2-CD1 3.67Å; T96-L100 HydrophobicContact CG2-CG 4.17Å; T96-L100 WeakPolarHBondContact O-CB 3.38Å; T96-L100 VanDerWaalsContact O-CG 3.22Å; T96-L100 WeakPolarHBondContact O-CG 3.41Å; T96-L100 PolarHBondContact O-N 3.32Å
97Y92.3Very high90.3Very high1 Ų123.4 Ų23.40%0.00413%0.13CC..Hα-helixtrans-57.7-51.4177.3-178-89.3000111.8M62 P66 F93 V94 T99 L100 A101 F170 V309 L310 S313M62-Y97 HydrophobicContact CE-CD2 3.79Å; M62-Y97 HydrophobicContact CE-CE2 3.48Å; M62-Y97 VanDerWaalsContact CE-CE2 3.48Å; M62-Y97 HydrophobicContact SD-CD2 3.94Å; M62-Y97 HydrophobicContact SD-CE2 4.16Å; P66-Y97 HydrophobicContact CB-CD2 4.18Å; P66-Y97 HydrophobicContact CG-CD2 4.42Å; F93-Y97 VanDerWaalsContact O-CB 3.31Å; F93-Y97 WeakPolarHBondContact O-CB 3.45Å; F93-Y97 PolarHBondContact O-N 3.36Å; V94-Y97 PolarHBondContact O-N 3.01Å; Y97-T99 PolarHBondContact O-N 3.19Å; Y97-L100 PolarHBondContact O-N 3.46Å; Y97-A101 HydrophobicContact CE1-CB 4.46Å; Y97-A101 WeakPolarHBondContact O-CB 3.36Å; Y97-A101 PolarHBondContact O-N 3.43Å; Y97-F170 HydrophobicContact CD1-CE1 4.49Å; Y97-F170 AromaticContact CD1-CE2 3.44Å; Y97-F170 HydrophobicContact CD1-CE2 3.44Å; Y97-F170 VanDerWaalsContact CD1-CE2 3.44Å; Y97-F170 AromaticContact CD1-CZ 3.36Å; Y97-F170 HydrophobicContact CD1-CZ 3.36Å; Y97-F170 AromaticContact CD2-CE2 3.93Å; Y97-F170 HydrophobicContact CD2-CE2 3.93Å; Y97-F170 AromaticContact CD2-CZ 3.94Å; Y97-F170 HydrophobicContact CD2-CZ 3.94Å; Y97-F170 HydrophobicContact CE1-CE1 4.18Å; Y97-F170 AromaticContact CE1-CE2 3.9Å; Y97-F170 HydrophobicContact CE1-CE2 3.9Å; Y97-F170 AromaticContact CE1-CZ 3.28Å; Y97-F170 HydrophobicContact CE1-CZ 3.28Å; Y97-F170 HydrophobicContact CE2-CE2 4.32Å; Y97-F170 AromaticContact CE2-CZ 3.86Å; Y97-F170 HydrophobicContact CE2-CZ 3.86Å; Y97-F170 AromaticContact CG-CE2 3.49Å; Y97-F170 HydrophobicContact CG-CE2 3.49Å; Y97-F170 VanDerWaalsContact CG-CE2 3.49Å; Y97-F170 AromaticContact CG-CZ 3.72Å; Y97-F170 HydrophobicContact CG-CZ 3.72Å; Y97-F170 AromaticContact CZ-CZ 3.55Å; Y97-V309 WeakPolarHBondContact OH-CG1 3.44Å; Y97-L310 HydrophobicContact CD2-CD2 4.22Å; Y97-L310 HydrophobicContact CE2-CD2 3.92Å; Y97-S313 PolarHBondContact OH-OG 2.9Å
98Y91.1Very high91.1Very high8 Ų819 Ų193%0.03111%0.11CC..Hα-helixtrans-67-35.4-179.6-73.1-57.8000112.8V94 T96 A101 L102 F170 V172 I175 F179 F183V94-Y98 HydrophobicContact CG1-CD2 3.72Å; V94-Y98 HydrophobicContact CG1-CE2 3.7Å; V94-Y98 WeakPolarHBondContact O-CD2 3.45Å; V94-Y98 PolarHBondContact O-N 3.4Å; V94-Y98 VanDerWaalsContact O-N 3.13Å; T96-Y98 PolarHBondContact O-N 3.39Å; Y98-A101 PolarHBondContact O-N 3.11Å; Y98-L102 PolarHBondContact O-N 2.92Å; Y98-F170 PolarHBondContact OH-O 3.44Å; Y98-V172 HydrophobicContact CE1-CG2 3.72Å; Y98-V172 WeakPolarHBondContact OH-CG2 3.47Å; Y98-I175 HydrophobicContact CE2-CD1 3.84Å; Y98-F179 HydrophobicContact CD2-CE1 4.34Å; Y98-F179 HydrophobicContact CD2-CZ 4.26Å; Y98-F179 HydrophobicContact CE2-CE1 4.49Å; Y98-F179 HydrophobicContact CG-CZ 4.27Å; Y98-F183 HydrophobicContact CD1-CD2 4.05Å; Y98-F183 HydrophobicContact CD1-CE1 4.15Å; Y98-F183 AromaticContact CD1-CE2 3.44Å; Y98-F183 HydrophobicContact CD1-CE2 3.44Å; Y98-F183 VanDerWaalsContact CD1-CE2 3.44Å; Y98-F183 AromaticContact CD1-CZ 3.52Å; Y98-F183 HydrophobicContact CD1-CZ 3.52Å; Y98-F183 HydrophobicContact CE1-CE1 4.17Å; Y98-F183 HydrophobicContact CE1-CE2 4.26Å; Y98-F183 AromaticContact CE1-CZ 3.96Å; Y98-F183 HydrophobicContact CE1-CZ 3.96Å; Y98-F183 HydrophobicContact CG-CE2 4.21Å
99T94.4Very high91.8Very high7 Ų716 Ų164%0.0439%0.09CC..Hα-helixtrans-60-50174.4-60.10000110.2S95 T96 Y97 L102 A103 W142 S145 F146 S149S95-T99 WeakPolarHBondContact O-CB 3.37Å; S95-T99 PolarHBondContact O-N 2.87Å; S95-T99 PolarHBondContact O-OG1 2.92Å; T96-T99 PolarHBondContact O-N 2.9Å; Y97-T99 PolarHBondContact O-N 3.19Å; T99-L102 PolarHBondContact O-N 3.48Å; T99-A103 VanDerWaalsContact O-CB 3.22Å; T99-A103 WeakPolarHBondContact O-CB 3.34Å; T99-A103 PolarHBondContact O-N 2.82Å; T99-W142 HydrophobicContact CG2-CE3 4.09Å; T99-W142 HydrophobicContact CG2-CZ3 3.93Å; T99-S145 WeakPolarHBondContact O-CB 3.48Å; T99-F146 HydrophobicContact CG2-CB 4.37Å; T99-S149 VanDerWaalsContact CA-OG 3.27Å; T99-S149 WeakPolarHBondContact CA-OG 3.26Å; T99-S149 PolarHBondContact N-OG 3.44Å; T99-S149 WeakPolarHBondContact OG1-CB 3.41Å; T99-S149 PolarHBondContact OG1-OG 3.35Å
100L95.3Very high92.4Very high2 Ų214.9 Ų14.91%0.019%0.086CC..Hα-helixtrans-70.5-34-176.6-65.8174.2000112L61 M62 P66 T96 Y97 T104 W142L61-L100 HydrophobicContact CB-CD1 3.96Å; L61-L100 HydrophobicContact CB-CD2 3.8Å; L61-L100 HydrophobicContact CD1-CD2 4.31Å; M62-L100 VanDerWaalsContact CA-CD1 3.48Å; M62-L100 HydrophobicContact CB-CD1 3.99Å; M62-L100 HydrophobicContact CE-CB 4.43Å; M62-L100 HydrophobicContact SD-CB 3.98Å; M62-L100 HydrophobicContact SD-CD1 4.01Å; P66-L100 HydrophobicContact CG-CD1 4.2Å; T96-L100 HydrophobicContact CG2-CD1 3.67Å; T96-L100 HydrophobicContact CG2-CG 4.17Å; T96-L100 WeakPolarHBondContact O-CB 3.38Å; T96-L100 VanDerWaalsContact O-CG 3.22Å; T96-L100 WeakPolarHBondContact O-CG 3.41Å; T96-L100 PolarHBondContact O-N 3.32Å; Y97-L100 PolarHBondContact O-N 3.46Å; L100-T104 WeakPolarHBondContact O-CB 3.3Å; L100-T104 PolarHBondContact O-N 3.38Å; L100-T104 PolarHBondContact O-OG1 3.42Å; L100-W142 HydrophobicContact CD2-CH2 3.59Å; L100-W142 HydrophobicContact CD2-CZ3 4.15Å
101A94.3Very high93Very high9 Ų914.8 Ų14.87%0.0749%0.086CC..Hα-helixtrans-62.7-48.3173.700000111.9Y97 Y98 T104 C105 F183 I288Y97-A101 HydrophobicContact CE1-CB 4.46Å; Y97-A101 WeakPolarHBondContact O-CB 3.36Å; Y97-A101 PolarHBondContact O-N 3.43Å; Y98-A101 PolarHBondContact O-N 3.11Å; A101-T104 PolarHBondContact O-N 2.92Å; A101-C105 PolarHBondContact O-N 3.47Å; A101-F183 HydrophobicContact CB-CZ 4.47Å; A101-I288 HydrophobicContact CB-CD1 4.29Å
102L94.6Very high93.6Very high1 Ų112.2 Ų12.21%0.0058%0.075CC..Hα-helixtrans-65.3-45.5175.8-76.9174.1000112Y98 T99 T104 C105 F106 L148 F183 L186Y98-L102 PolarHBondContact O-N 2.92Å; T99-L102 PolarHBondContact O-N 3.48Å; L102-T104 VanDerWaalsContact C-N 3.28Å; L102-T104 PolarHBondContact O-N 3.27Å; L102-C105 PolarHBondContact O-N 2.88Å; L102-F106 HydrophobicContact CD2-CZ 4.46Å; L102-F106 PolarHBondContact O-N 3.04Å; L102-L148 HydrophobicContact CD1-CB 4.35Å; L102-L148 HydrophobicContact CD1-CD1 4.09Å; L102-F183 HydrophobicContact CD1-CD2 3.81Å; L102-F183 HydrophobicContact CD1-CE2 4.06Å; L102-F183 HydrophobicContact CD2-CD2 4.02Å; L102-F183 HydrophobicContact CD2-CE2 3.97Å; L102-F183 HydrophobicContact CG-CD2 3.83Å; L102-F183 HydrophobicContact CG-CE2 3.62Å; L102-L186 HydrophobicContact CD2-CB 4.05Å
103A96.6Very high94Very high0 Ų014.1 Ų14.10%07%0.074CC..Hα-helixtrans-59.4-42.1178.800000111.3T58 T99 T107 I141 S145T58-A103 HydrophobicContact CG2-CB 4.32Å; T99-A103 VanDerWaalsContact O-CB 3.22Å; T99-A103 WeakPolarHBondContact O-CB 3.34Å; T99-A103 PolarHBondContact O-N 2.82Å; A103-T107 VanDerWaalsContact O-CB 3.26Å; A103-T107 WeakPolarHBondContact O-CB 3.42Å; A103-T107 PolarHBondContact O-N 2.96Å; A103-T107 PolarHBondContact O-OG1 3.43Å; A103-I141 HydrophobicContact CB-CG2 4.14Å; A103-S145 PolarHBondContact N-OG 2.71Å
104T96.6Very high94.2Very high6 Ų614.4 Ų14.44%0.0378%0.076CC..Hα-helixtrans-61.7-50.7175-59.70000110.8L55 L100 A101 L102 F106 T107 V108 Y280 Q316L55-T104 HydrophobicContact CD1-CG2 3.97Å; L100-T104 WeakPolarHBondContact O-CB 3.3Å; L100-T104 PolarHBondContact O-N 3.38Å; L100-T104 PolarHBondContact O-OG1 3.42Å; A101-T104 PolarHBondContact O-N 2.92Å; L102-T104 VanDerWaalsContact C-N 3.28Å; L102-T104 PolarHBondContact O-N 3.27Å; T104-F106 PolarHBondContact O-N 2.99Å; T104-T107 PolarHBondContact O-N 2.9Å; T104-V108 VanDerWaalsContact O-CG2 3.29Å; T104-V108 WeakPolarHBondContact O-CG2 3.3Å; T104-V108 PolarHBondContact O-N 3.04Å; T104-Y280 HydrophobicContact CG2-CD2 4.07Å; T104-Y280 HydrophobicContact CG2-CE2 4.29Å; T104-Q316 VanDerWaalsContact CG2-NE2 3.27Å
105C96.2Very high94.6Very high10 Ų1014.4 Ų14.47%0.0688%0.076CC..Hα-helixtrans-58.2-49.4180-178.20000112.2A101 L102 T107 V108 A109 L187A101-C105 PolarHBondContact O-N 3.47Å; L102-C105 PolarHBondContact O-N 2.88Å; C105-T107 VanDerWaalsContact C-N 3.32Å; C105-T107 PolarHBondContact O-N 2.88Å; C105-V108 PolarHBondContact O-N 3.05Å; C105-A109 PolarHBondContact O-N 3.08Å; C105-L187 HydrophobicContact CB-CD1 3.68Å
106F96.5Very high94.8Very high37 Ų3714.3 Ų14.316%0.1627%0.073CC..Hα-helixtrans-69-29.8179.4-65.7-30.9000113.4L102 T104 S110 I141 V144 L186L102-F106 HydrophobicContact CD2-CZ 4.46Å; L102-F106 PolarHBondContact O-N 3.04Å; T104-F106 PolarHBondContact O-N 2.99Å; F106-S110 VanDerWaalsContact O-CB 3.27Å; F106-S110 WeakPolarHBondContact O-CB 3.38Å; F106-S110 PolarHBondContact O-N 3.14Å; F106-S110 PolarHBondContact O-OG 3.37Å; F106-I141 HydrophobicContact CB-CB 4.42Å; F106-I141 HydrophobicContact CB-CD1 4.08Å; F106-I141 HydrophobicContact CB-CG1 3.79Å; F106-I141 HydrophobicContact CB-CG2 3.84Å; F106-I141 HydrophobicContact CD2-CG2 4.36Å; F106-V144 HydrophobicContact CE2-CG1 4.19Å; F106-L186 HydrophobicContact CE1-CB 4.47Å; F106-L186 HydrophobicContact CZ-CB 3.93Å; F106-L186 HydrophobicContact CZ-CD2 4.08Å; F106-L186 HydrophobicContact CZ-CG 4.44Å
107T96.9Very high94.8Very high0 Ų013.7 Ų13.70%07%0.067CC..Hα-helixtrans-66.7-43.7173-590000110.9F54 L55 A103 T104 C105 S110 L111F54-T107 HydrophobicContact CD1-CG2 3.83Å; F54-T107 WeakPolarHBondContact CD1-OG1 3.48Å; F54-T107 HydrophobicContact CE1-CG2 4.4Å; F54-T107 WeakPolarHBondContact CE1-OG1 3.48Å; L55-T107 HydrophobicContact CB-CG2 3.99Å; L55-T107 HydrophobicContact CD1-CG2 3.98Å; L55-T107 HydrophobicContact CG-CG2 4.49Å; A103-T107 VanDerWaalsContact O-CB 3.26Å; A103-T107 WeakPolarHBondContact O-CB 3.42Å; A103-T107 PolarHBondContact O-N 2.96Å; A103-T107 PolarHBondContact O-OG1 3.43Å; T104-T107 PolarHBondContact O-N 2.9Å; C105-T107 VanDerWaalsContact C-N 3.32Å; C105-T107 PolarHBondContact O-N 2.88Å; T107-S110 CarbonylContact O-C 3.6Å; T107-S110 WeakPolarHBondContact O-CB 3.31Å; T107-S110 PolarHBondContact O-N 3.41Å; T107-L111 HydrophobicContact CG2-CD1 4.45Å; T107-L111 WeakPolarHBondContact O-CG 3.17Å; T107-L111 PolarHBondContact O-N 3.04Å
108V96.7Very high94.6Very high2 Ų215.1 Ų15.11%0.0127%0.074CC..Hα-helixtrans-63.2-43175.6171.20000111.4L55 T104 C105 S110 L111 S112 I276 V277 Y280L55-V108 HydrophobicContact CD1-CG2 4.35Å; T104-V108 VanDerWaalsContact O-CG2 3.29Å; T104-V108 WeakPolarHBondContact O-CG2 3.3Å; T104-V108 PolarHBondContact O-N 3.04Å; C105-V108 PolarHBondContact O-N 3.05Å; V108-S110 VanDerWaalsContact C-N 3.31Å; V108-S110 PolarHBondContact O-N 3.19Å; V108-L111 PolarHBondContact O-N 3.21Å; V108-S112 PolarHBondContact O-N 3.04Å; V108-S112 PolarHBondContact O-OG 3.43Å; V108-I276 HydrophobicContact CG2-CG2 4.19Å; V108-V277 HydrophobicContact CG1-CB 4.03Å; V108-V277 HydrophobicContact CG1-CG1 4.29Å; V108-V277 HydrophobicContact CG1-CG2 3.57Å; V108-Y280 HydrophobicContact CG2-CD2 3.57Å; V108-Y280 HydrophobicContact CG2-CE2 4.32Å; V108-Y280 HydrophobicContact CG2-CG 4.37Å
109A96.8Very high94.4Very high14 Ų1415.2 Ų15.212%0.1168%0.076CC..Hα-helixtrans-60.7-41.8172.800000111.4C105 S112 Y113C105-A109 PolarHBondContact O-N 3.08Å; A109-S112 WeakPolarHBondContact O-CB 3.39Å; A109-S112 PolarHBondContact O-N 3.37Å; A109-Y113 WeakPolarHBondContact O-CB 3.35Å; A109-Y113 PolarHBondContact O-N 2.69Å
110S96Very high94.1Very high27 Ų2719.5 Ų19.519%0.1899%0.091CC..Hα-helixtrans-67.1-37.9177.6-63.70000112.8F106 T107 V108 S112 Y113 H114 I141F106-S110 VanDerWaalsContact O-CB 3.27Å; F106-S110 WeakPolarHBondContact O-CB 3.38Å; F106-S110 PolarHBondContact O-N 3.14Å; F106-S110 PolarHBondContact O-OG 3.37Å; T107-S110 CarbonylContact O-C 3.6Å; T107-S110 WeakPolarHBondContact O-CB 3.31Å; T107-S110 PolarHBondContact O-N 3.41Å; V108-S110 VanDerWaalsContact C-N 3.31Å; V108-S110 PolarHBondContact O-N 3.19Å; S110-S112 VanDerWaalsContact C-N 3.33Å; S110-Y113 PolarHBondContact O-N 3.48Å; S110-H114 WeakPolarHBondContact O-CB 3.46Å; S110-H114 PolarHBondContact O-N 3.45Å; S110-I141 WeakPolarHBondContact OG-CD1 3.36Å
111L95.1Very high93.6Very high1 Ų125 Ų251%0.00511%0.112CC..Hα-helixtrans-60.1-44.8171.9-77.2167.8000111L48 L51 L52 L55 T107 V108 H114 R115 V273L48-L111 HydrophobicContact CD1-CD2 3.74Å; L51-L111 HydrophobicContact CB-CD2 3.46Å; L51-L111 VanDerWaalsContact CB-CD2 3.46Å; L51-L111 HydrophobicContact CB-CG 4.05Å; L51-L111 HydrophobicContact CD1-CD2 4.1Å; L51-L111 HydrophobicContact CG-CD2 4.43Å; L52-L111 HydrophobicContact CD2-CD1 4.07Å; L52-L111 HydrophobicContact CD2-CD2 4.07Å; L52-L111 HydrophobicContact CG-CD2 4.2Å; L55-L111 HydrophobicContact CD2-CD1 3.91Å; T107-L111 HydrophobicContact CG2-CD1 4.45Å; T107-L111 WeakPolarHBondContact O-CG 3.17Å; T107-L111 PolarHBondContact O-N 3.04Å; V108-L111 PolarHBondContact O-N 3.21Å; L111-H114 PolarHBondContact O-N 3.19Å; L111-R115 WeakPolarHBondContact O-CB 3.34Å; L111-R115 PolarHBondContact O-N 3.27Å; L111-V273 HydrophobicContact CB-CG1 4.28Å
112S96.3Very high93.1Very high0 Ų027.7 Ų27.70%013%0.128CC..Hα-helixtrans-62.4-48.3177.1-52.30000111.8V108 A109 S110 R115 M116 V277V108-S112 PolarHBondContact O-N 3.04Å; V108-S112 PolarHBondContact O-OG 3.43Å; A109-S112 WeakPolarHBondContact O-CB 3.39Å; A109-S112 PolarHBondContact O-N 3.37Å; S110-S112 VanDerWaalsContact C-N 3.33Å; S112-R115 PolarHBondContact O-N 3.02Å; S112-M116 WeakPolarHBondContact O-CB 3.26Å; S112-M116 PolarHBondContact O-N 3.37Å; S112-V277 WeakPolarHBondContact OG-CG2 3.35Å
113Y95.1Very high92.6Very high117 Ų11732.6 Ų32.646%0.45916%0.158SC..Hα-helixtrans-61.2-46.8177.5175.4-98.1000111.3A109 S110 R115 M116 W117A109-Y113 WeakPolarHBondContact O-CB 3.35Å; A109-Y113 PolarHBondContact O-N 2.69Å; S110-Y113 PolarHBondContact O-N 3.48Å; Y113-R115 VanDerWaalsContact C-N 3.3Å; Y113-R115 PolarHBondContact O-N 3.17Å; Y113-M116 HydrophobicContact CD2-CE 3.53Å; Y113-M116 HydrophobicContact CE2-CE 3.73Å; Y113-M116 WeakPolarHBondContact O-CB 3.22Å; Y113-M116 PolarHBondContact O-N 3.37Å; Y113-W117 HydrophobicContact CE1-CE3 4.46Å; Y113-W117 WeakPolarHBondContact O-CB 3.33Å; Y113-W117 PolarHBondContact O-N 3.46Å
114H93.1Very high92.1Very high8 Ų837 Ų374%0.03718%0.182CC..Hα-helixtrans-58.6-43.9177.8178.1-85.1000111.2P47 L51 S110 L111 W117 M118 Y125P47-H114 WeakPolarHBondContact CB-NE2 3.47Å; L51-H114 HydrophobicContact CD1-CB 4.19Å; S110-H114 WeakPolarHBondContact O-CB 3.46Å; S110-H114 PolarHBondContact O-N 3.45Å; L111-H114 PolarHBondContact O-N 3.19Å; H114-W117 PolarHBondContact O-N 3.32Å; H114-M118 PolarHBondContact O-N 2.84Å; H114-M118 VanDerWaalsContact O-N 3.11Å; H114-Y125 AromaticContact CD2-CE2 3.89Å; H114-Y125 AromaticContact CE1-CE2 3.93Å; H114-Y125 AromaticContact CE1-CZ 3.78Å; H114-Y125 PolarHBondContact CE1-OH 2.89Å; H114-Y125 AromaticContact NE2-CE2 3.34Å; H114-Y125 VanDerWaalsContact NE2-CE2 3.34Å; H114-Y125 WeakPolarHBondContact NE2-CE2 3.37Å; H114-Y125 AromaticContact NE2-CZ 3.41Å; H114-Y125 PolarHBondContact NE2-OH 3.33Å
115R92.8Very high91.4Very high3 Ų338.1 Ų38.11%0.01119%0.185CC..Hα-helixtrans-64.8-44.2176.4-17367.1-164.4156.211.2111.8L111 S112 Y113 W117 M118 V119 T201 E261 S266 T270 V273L111-R115 WeakPolarHBondContact O-CB 3.34Å; L111-R115 PolarHBondContact O-N 3.27Å; S112-R115 PolarHBondContact O-N 3.02Å; Y113-R115 VanDerWaalsContact C-N 3.3Å; Y113-R115 PolarHBondContact O-N 3.17Å; R115-W117 VanDerWaalsContact C-N 3.35Å; R115-W117 PolarHBondContact O-N 3.2Å; R115-M118 PolarHBondContact NH1-SD 3.44Å; R115-M118 VanDerWaalsContact NH1-SD 3.38Å; R115-M118 PolarHBondContact O-N 3.48Å; R115-V119 VanDerWaalsContact O-CG2 3.31Å; R115-V119 WeakPolarHBondContact O-CG2 3.35Å; R115-V119 PolarHBondContact O-N 3.3Å; R115-T201 HydrophobicContact CB-CG2 4.43Å; R115-T201 HydrophobicContact CG-CG2 4.19Å; R115-E261 IonicContact NH1-OE2 3.68Å; R115-S266 PolarHBondContact NH2-O 3.27Å; R115-S266 PolarHBondContact NH2-OG 3.16Å; R115-T270 HydrophobicContact CG-CG2 4.3Å; R115-T270 PolarHBondContact NE-OG1 2.95Å; R115-T270 PolarHBondContact NH2-OG1 3.27Å; R115-V273 HydrophobicContact CB-CG1 4.23Å
116M93.2Very high90.7Very high16 Ų1647.5 Ų47.58%0.07922%0.22CC..Hα-helixtrans-57.6-47.6175.2-177.6-166.862.400111.7S112 Y113 M118 V119 R120 C197 I200 T201S112-M116 WeakPolarHBondContact O-CB 3.26Å; S112-M116 PolarHBondContact O-N 3.37Å; Y113-M116 HydrophobicContact CD2-CE 3.53Å; Y113-M116 HydrophobicContact CE2-CE 3.73Å; Y113-M116 WeakPolarHBondContact O-CB 3.22Å; Y113-M116 PolarHBondContact O-N 3.37Å; M116-M118 PolarHBondContact O-N 2.85Å; M116-V119 PolarHBondContact O-N 2.89Å; M116-R120 WeakPolarHBondContact O-CB 3.34Å; M116-R120 PolarHBondContact O-N 3.32Å; M116-C197 HydrophobicContact CB-CB 4.26Å; M116-C197 HydrophobicContact SD-CB 4.26Å; M116-I200 HydrophobicContact CG-CB 4.28Å; M116-I200 HydrophobicContact CG-CG2 3.81Å; M116-I200 HydrophobicContact SD-CB 4.07Å; M116-I200 HydrophobicContact SD-CD1 3.87Å; M116-I200 HydrophobicContact SD-CG2 3.84Å; M116-T201 HydrophobicContact CB-CG2 3.59Å; M116-T201 HydrophobicContact CG-CG2 4.24Å
117W91.6Very high89.9Confident19 Ų1951.5 Ų51.57%0.07224%0.242CC..Hα-helixtrans-60.8-46.4-178.6-178.318.6000111.8Y113 H114 R115 V119 R120 W121 N124 Y125 S128 A130 Q133Y113-W117 HydrophobicContact CE1-CE3 4.46Å; Y113-W117 WeakPolarHBondContact O-CB 3.33Å; Y113-W117 PolarHBondContact O-N 3.46Å; H114-W117 PolarHBondContact O-N 3.32Å; R115-W117 VanDerWaalsContact C-N 3.35Å; R115-W117 PolarHBondContact O-N 3.2Å; W117-V119 VanDerWaalsContact C-N 3.34Å; W117-V119 PolarHBondContact O-N 3.35Å; W117-R120 PolarHBondContact O-N 3.18Å; W117-W121 AromaticContact CD1-CE3 3.81Å; W117-W121 CarbonylContact O-C 3.58Å; W117-W121 PolarHBondContact O-N 3.33Å; W117-N124 PolarHBondContact NE1-ND2 2.75Å; W117-Y125 AromaticContact CD2-CD2 3.72Å; W117-Y125 HydrophobicContact CD2-CD2 3.72Å; W117-Y125 AromaticContact CE3-CD2 3.65Å; W117-Y125 HydrophobicContact CE3-CD2 3.65Å; W117-Y125 HydrophobicContact CE3-CE2 4.04Å; W117-Y125 HydrophobicContact CG-CD2 4.21Å; W117-Y125 HydrophobicContact CH2-CD2 4.21Å; W117-Y125 HydrophobicContact CZ2-CD2 4.31Å; W117-Y125 AromaticContact CZ3-CD2 3.9Å; W117-Y125 HydrophobicContact CZ3-CD2 3.9Å; W117-Y125 HydrophobicContact CZ3-CE2 4.17Å; W117-S128 WeakPolarHBondContact CH2-OG 3.26Å; W117-S128 WeakPolarHBondContact CZ2-OG 3.45Å; W117-A130 HydrophobicContact CH2-CB 4.13Å; W117-A130 HydrophobicContact CZ3-CB 3.98Å; W117-Q133 VanDerWaalsContact CZ3-OE1 3.29Å
118M87.6Confident89.2Confident30 Ų3052.7 Ų52.715%0.14825%0.25CS..Hα-helixtrans-60.6-40.9176.1-175.2-169.6-70.500112.4H114 R115 M116 P122 Y125H114-M118 PolarHBondContact O-N 2.84Å; H114-M118 VanDerWaalsContact O-N 3.11Å; R115-M118 PolarHBondContact NH1-SD 3.44Å; R115-M118 VanDerWaalsContact NH1-SD 3.38Å; R115-M118 PolarHBondContact O-N 3.48Å; M116-M118 PolarHBondContact O-N 2.85Å; M118-P122 WeakPolarHBondContact O-CA 3.29Å; M118-P122 WeakPolarHBondContact O-CB 3.24Å; M118-Y125 HydrophobicContact CB-CD1 4.3Å; M118-Y125 HydrophobicContact CB-CD2 4.34Å; M118-Y125 HydrophobicContact CB-CE1 4.44Å; M118-Y125 HydrophobicContact CB-CE2 4.46Å; M118-Y125 HydrophobicContact CB-CG 4.25Å; M118-Y125 HydrophobicContact CE-CD1 4.42Å; M118-Y125 HydrophobicContact CE-CE1 3.58Å; M118-Y125 HydrophobicContact CE-CE2 4.45Å; M118-Y125 WeakPolarHBondContact CE-OH 3.46Å; M118-Y125 HydrophobicContact CG-CD1 4.03Å; M118-Y125 HydrophobicContact CG-CE1 4.11Å; M118-Y125 HydrophobicContact CG-CG 4.45Å
119V86.6Confident88.6Confident11 Ų1158 Ų587%0.06728%0.279CS..Hα-helixtrans-73.4-41.9-179172.10000111.9R115 M116 W117 Q204 T205R115-V119 VanDerWaalsContact O-CG2 3.31Å; R115-V119 WeakPolarHBondContact O-CG2 3.35Å; R115-V119 PolarHBondContact O-N 3.3Å; M116-V119 PolarHBondContact O-N 2.89Å; W117-V119 VanDerWaalsContact C-N 3.34Å; W117-V119 PolarHBondContact O-N 3.35Å; V119-Q204 HydrophobicContact CG1-CB 3.87Å; V119-T205 HydrophobicContact CG1-CG2 3.81Å; V119-T205 HydrophobicContact CG2-CG2 4.21Å
120R87.6Confident88.1Confident97 Ų9757.8 Ų57.837%0.36628%0.277SS..Hα-helixtrans-81.5-37.8-172.7-173.339.5167.199.40.4113.1M116 W117 Q204M116-R120 WeakPolarHBondContact O-CB 3.34Å; M116-R120 PolarHBondContact O-N 3.32Å; W117-R120 PolarHBondContact O-N 3.18Å; R120-Q204 VanDerWaalsContact CD-CD 3.45Å
121W85.9Confident87.7Confident118 Ų11861.6 Ų61.645%0.44729%0.29SS..  trans-135.163.9-175.5-58.1-71.7000111.5W117 V123 N124 Y125W117-W121 AromaticContact CD1-CE3 3.81Å; W117-W121 CarbonylContact O-C 3.58Å; W117-W121 PolarHBondContact O-N 3.33Å; W121-V123 VanDerWaalsContact C-N 3.29Å; W121-V123 PolarHBondContact O-N 2.86Å; W121-N124 HydrophobicContact CB-CB 4.07Å; W121-N124 PolarHBondContact O-N 3.38Å; W121-Y125 WeakPolarHBondContact O-CB 3.37Å; W121-Y125 PolarHBondContact O-N 3.32Å
122P83.8Confident87.4Confident64 Ų6467.8 Ų67.842%0.41632%0.317SS..Hα-helixtrans-60.9-34.4-173.823.7-34.5000113.5M118 R126M118-P122 WeakPolarHBondContact O-CA 3.29Å; M118-P122 WeakPolarHBondContact O-CB 3.24Å; P122-R126 WeakPolarHBondContact O-CG 3.26Å; P122-R126 PolarHBondContact O-N 3.49Å; P122-R126 VanDerWaalsContact O-N 3.08Å
123V82.9Confident87.1Confident104 Ų10472.6 Ų72.663%0.6334%0.339SS*.Hα-helixtrans-69.9-49179-179.10000110.9W121 Y125 R126 L127W121-V123 VanDerWaalsContact C-N 3.29Å; W121-V123 PolarHBondContact O-N 2.86Å; V123-Y125 VanDerWaalsContact C-N 3.29Å; V123-Y125 PolarHBondContact O-N 3.49Å; V123-R126 PolarHBondContact O-N 2.89Å; V123-L127 HydrophobicContact CG1-CD1 3.93Å; V123-L127 WeakPolarHBondContact O-CG 3.43Å; V123-L127 PolarHBondContact O-N 3.15Å
124N86.2Confident86.9Confident93 Ų9367.4 Ų67.450%0.49732%0.321SS..Hα-helixtrans-60.9-42.7177.3-172.846.3000110.8W117 W121 R126 L127 S128W117-N124 PolarHBondContact NE1-ND2 2.75Å; W121-N124 HydrophobicContact CB-CB 4.07Å; W121-N124 PolarHBondContact O-N 3.38Å; N124-R126 VanDerWaalsContact C-N 3.34Å; N124-R126 PolarHBondContact O-N 2.88Å; N124-L127 PolarHBondContact O-N 2.98Å; N124-S128 VanDerWaalsContact O-CB 3.24Å; N124-S128 WeakPolarHBondContact O-CB 3.4Å; N124-S128 PolarHBondContact O-N 2.79Å; N124-S128 PolarHBondContact O-OG 2.89Å
125Y83.4Confident86.8Confident29 Ų2970.6 Ų70.611%0.11434%0.338CS..Hα-helixtrans-57.6-44.2176178.6-96000112.3H114 W117 M118 W121 V123 S128 A130H114-Y125 AromaticContact CD2-CE2 3.89Å; H114-Y125 AromaticContact CE1-CE2 3.93Å; H114-Y125 AromaticContact CE1-CZ 3.78Å; H114-Y125 PolarHBondContact CE1-OH 2.89Å; H114-Y125 AromaticContact NE2-CE2 3.34Å; H114-Y125 VanDerWaalsContact NE2-CE2 3.34Å; H114-Y125 WeakPolarHBondContact NE2-CE2 3.37Å; H114-Y125 AromaticContact NE2-CZ 3.41Å; H114-Y125 PolarHBondContact NE2-OH 3.33Å; W117-Y125 AromaticContact CD2-CD2 3.72Å; W117-Y125 HydrophobicContact CD2-CD2 3.72Å; W117-Y125 AromaticContact CE3-CD2 3.65Å; W117-Y125 HydrophobicContact CE3-CD2 3.65Å; W117-Y125 HydrophobicContact CE3-CE2 4.04Å; W117-Y125 HydrophobicContact CG-CD2 4.21Å; W117-Y125 HydrophobicContact CH2-CD2 4.21Å; W117-Y125 HydrophobicContact CZ2-CD2 4.31Å; W117-Y125 AromaticContact CZ3-CD2 3.9Å; W117-Y125 HydrophobicContact CZ3-CD2 3.9Å; W117-Y125 HydrophobicContact CZ3-CE2 4.17Å; M118-Y125 HydrophobicContact CB-CD1 4.3Å; M118-Y125 HydrophobicContact CB-CD2 4.34Å; M118-Y125 HydrophobicContact CB-CE1 4.44Å; M118-Y125 HydrophobicContact CB-CE2 4.46Å; M118-Y125 HydrophobicContact CB-CG 4.25Å; M118-Y125 HydrophobicContact CE-CD1 4.42Å; M118-Y125 HydrophobicContact CE-CE1 3.58Å; M118-Y125 HydrophobicContact CE-CE2 4.45Å; M118-Y125 WeakPolarHBondContact CE-OH 3.46Å; M118-Y125 HydrophobicContact CG-CD1 4.03Å; M118-Y125 HydrophobicContact CG-CE1 4.11Å; M118-Y125 HydrophobicContact CG-CG 4.45Å; W121-Y125 WeakPolarHBondContact O-CB 3.37Å; W121-Y125 PolarHBondContact O-N 3.32Å; V123-Y125 VanDerWaalsContact C-N 3.29Å; V123-Y125 PolarHBondContact O-N 3.49Å; Y125-S128 WeakPolarHBondContact CA-OG 3.46Å; Y125-S128 PolarHBondContact O-N 3.21Å; Y125-S128 PolarHBondContact O-OG 3.39Å; Y125-A130 HydrophobicContact CD2-CB 4.26Å; Y125-A130 HydrophobicContact CE2-CB 3.72Å
126R80.9Confident86.8Confident208 Ų20876.3 Ų76.379%0.78536%0.364SS*.Hα-helixtrans-70.2-29.7178.1-75.2-172.368.2-134-3.3114.3P122 V123 N124P122-R126 WeakPolarHBondContact O-CG 3.26Å; P122-R126 PolarHBondContact O-N 3.49Å; P122-R126 VanDerWaalsContact O-N 3.08Å; V123-R126 PolarHBondContact O-N 2.89Å; N124-R126 VanDerWaalsContact C-N 3.34Å; N124-R126 PolarHBondContact O-N 2.88Å
127L78.9Confident86.8Confident120 Ų12077.3 Ų77.363%0.62838%0.375SS*.Hα-helixtrans-84.2-16.8177.5-68.3171.9000112.4V123 N124V123-L127 HydrophobicContact CG1-CD1 3.93Å; V123-L127 WeakPolarHBondContact O-CG 3.43Å; V123-L127 PolarHBondContact O-N 3.15Å; N124-L127 PolarHBondContact O-N 2.98Å
128S81.8Confident86.9Confident26 Ų2677 Ų7718%0.18238%0.375CS..SBendtrans-84.8149.1179.770.20000112.1W117 N124 Y125 A130W117-S128 WeakPolarHBondContact CH2-OG 3.26Å; W117-S128 WeakPolarHBondContact CZ2-OG 3.45Å; N124-S128 VanDerWaalsContact O-CB 3.24Å; N124-S128 WeakPolarHBondContact O-CB 3.4Å; N124-S128 PolarHBondContact O-N 2.79Å; N124-S128 PolarHBondContact O-OG 2.89Å; Y125-S128 WeakPolarHBondContact CA-OG 3.46Å; Y125-S128 PolarHBondContact O-N 3.21Å; Y125-S128 PolarHBondContact O-OG 3.39Å; S128-A130 PolarHBondContact O-N 3.21Å
129N85.4Confident87.2Confident114 Ų11481.4 Ų81.461%0.6140%0.397SS*.  trans-76.260.6169.6-72.9-46.3000111.3K131 K132 Q133N129-K131 PolarHBondContact O-N 2.89Å; N129-K131 VanDerWaalsContact O-N 3.11Å; N129-K132 HydrophobicContact CB-CB 4.26Å; N129-K132 PolarHBondContact O-N 3.4Å; N129-K132 VanDerWaalsContact O-N 3.09Å; N129-Q133 PolarHBondContact O-N 3.37Å; N129-Q133 VanDerWaalsContact O-N 3.1Å
130A85.4Confident87.7Confident9 Ų982.5 Ų82.57%0.07441%0.41CS..Hα-helixtrans-58.2-28.6-17400000112.9P47 W117 Y125 S128 A134P47-A130 HydrophobicContact CG-CB 3.76Å; W117-A130 HydrophobicContact CH2-CB 4.13Å; W117-A130 HydrophobicContact CZ3-CB 3.98Å; Y125-A130 HydrophobicContact CD2-CB 4.26Å; Y125-A130 HydrophobicContact CE2-CB 3.72Å; S128-A130 PolarHBondContact O-N 3.21Å; A130-A134 WeakPolarHBondContact O-CB 3.26Å; A130-A134 PolarHBondContact O-N 3.19Å
131K87.2Confident88.1Confident107 Ų10778.5 Ų78.547%0.46540%0.396SS..Hα-helixtrans-66.1-49.4175.5-174-177178.3-173.10111.6P47 N129 Q133 A134 L135P47-K131 HydrophobicContact CG-CB 4.35Å; N129-K131 PolarHBondContact O-N 2.89Å; N129-K131 VanDerWaalsContact O-N 3.11Å; K131-Q133 VanDerWaalsContact C-N 3.28Å; K131-Q133 PolarHBondContact O-N 2.79Å; K131-A134 PolarHBondContact O-N 3.04Å; K131-L135 PolarHBondContact O-N 3.27Å
132K89.4Confident88.5Confident130 Ų13076.4 Ų76.457%0.56539%0.388SS*.Hα-helixtrans-61.1-41.3177.2-173.7174.6-176.9173.20110.9N129 L135 H136N129-K132 HydrophobicContact CB-CB 4.26Å; N129-K132 PolarHBondContact O-N 3.4Å; N129-K132 VanDerWaalsContact O-N 3.09Å; K132-L135 PolarHBondContact O-N 2.87Å; K132-H136 PolarHBondContact O-CD2 3.43Å; K132-H136 VanDerWaalsContact O-CD2 3.25Å; K132-H136 PolarHBondContact O-N 2.81Å
133Q89.9Confident89Confident102 Ų10278.5 Ų78.548%0.47739%0.394SS..Hα-helixtrans-65.2-40.8176.2-69.8-177.4-21.200112.8W117 N129 K131 H136 A137W117-Q133 VanDerWaalsContact CZ3-OE1 3.29Å; N129-Q133 PolarHBondContact O-N 3.37Å; N129-Q133 VanDerWaalsContact O-N 3.1Å; K131-Q133 VanDerWaalsContact C-N 3.28Å; K131-Q133 PolarHBondContact O-N 2.79Å; Q133-H136 PolarHBondContact O-N 3.01Å; Q133-A137 WeakPolarHBondContact O-CB 3.39Å; Q133-A137 PolarHBondContact O-N 3.26Å
134A90.6Very high89.5Confident8 Ų876.8 Ų76.87%0.06638%0.383CS..Hα-helixtrans-64.7-39.8175.400000112.1P47 L50 A130 K131 A137 V138P47-A134 HydrophobicContact CB-CB 3.7Å; L50-A134 HydrophobicContact CD2-CB 4.44Å; A130-A134 WeakPolarHBondContact O-CB 3.26Å; A130-A134 PolarHBondContact O-N 3.19Å; K131-A134 PolarHBondContact O-N 3.04Å; A134-A137 PolarHBondContact O-N 3.49Å; A134-V138 WeakPolarHBondContact O-CB 3.31Å; A134-V138 WeakPolarHBondContact O-CG2 3.43Å; A134-V138 PolarHBondContact O-N 3.4Å
135L91.8Very high89.9Confident75 Ų7572.3 Ų72.339%0.39336%0.36SS..Hα-helixtrans-61.1-47.1173.2-77.5169.1000111.7L50 K131 K132 A137 V138 M139L50-L135 HydrophobicContact CD1-CD2 3.64Å; L50-L135 HydrophobicContact CD1-CG 4.05Å; L50-L135 HydrophobicContact CD2-CD2 4.28Å; K131-L135 PolarHBondContact O-N 3.27Å; K132-L135 PolarHBondContact O-N 2.87Å; L135-A137 VanDerWaalsContact C-N 3.31Å; L135-A137 PolarHBondContact O-N 2.9Å; L135-V138 WeakPolarHBondContact O-CB 3.33Å; L135-V138 PolarHBondContact O-N 3.31Å; L135-M139 WeakPolarHBondContact O-CG 3.1Å; L135-M139 PolarHBondContact O-N 3.1Å
136H92.4Very high90.2Very high123 Ų12376.6 Ų76.657%0.56938%0.379SS*.Hα-helixtrans-62.9-39176.9-73.1-160000112K132 Q133 M139 G140K132-H136 PolarHBondContact O-CD2 3.43Å; K132-H136 VanDerWaalsContact O-CD2 3.25Å; K132-H136 PolarHBondContact O-N 2.81Å; Q133-H136 PolarHBondContact O-N 3.01Å; H136-M139 PolarHBondContact O-N 3.46Å; H136-G140 PolarHBondContact O-N 3.48Å
137A93.1Very high90.7Very high37 Ų3770.8 Ų70.831%0.30636%0.362SS..Hα-helixtrans-62.2-47.9175.200000110.9Q133 A134 L135 M139 G140 I141Q133-A137 WeakPolarHBondContact O-CB 3.39Å; Q133-A137 PolarHBondContact O-N 3.26Å; A134-A137 PolarHBondContact O-N 3.49Å; L135-A137 VanDerWaalsContact C-N 3.31Å; L135-A137 PolarHBondContact O-N 2.9Å; A137-M139 VanDerWaalsContact C-N 3.35Å; A137-M139 PolarHBondContact O-N 3.23Å; A137-G140 PolarHBondContact O-N 3.36Å; A137-I141 WeakPolarHBondContact O-CB 3.09Å; A137-I141 WeakPolarHBondContact O-CD1 3.12Å; A137-I141 WeakPolarHBondContact O-CG1 3.38Å; A137-I141 PolarHBondContact O-N 3.48Å
138V94.6Very high91.1Very high13 Ų1366.2 Ų66.28%0.07934%0.338CS..Hα-helixtrans-54.7-48.8174.71510000111.8L50 L51 F54 A134 L135 I141 W142L50-V138 HydrophobicContact CD2-CG2 4.02Å; L51-V138 HydrophobicContact CD2-CG2 3.83Å; F54-V138 HydrophobicContact CB-CG2 4.4Å; F54-V138 HydrophobicContact CD1-CG2 4.26Å; F54-V138 HydrophobicContact CD2-CB 4.32Å; F54-V138 HydrophobicContact CD2-CG1 3.52Å; F54-V138 HydrophobicContact CD2-CG2 3.92Å; F54-V138 HydrophobicContact CE1-CG2 4.42Å; F54-V138 HydrophobicContact CE2-CB 4.04Å; F54-V138 HydrophobicContact CE2-CG1 3.13Å; F54-V138 HydrophobicContact CE2-CG2 4.03Å; F54-V138 HydrophobicContact CG-CG1 4.38Å; F54-V138 HydrophobicContact CG-CG2 3.94Å; F54-V138 HydrophobicContact CZ-CB 4.31Å; F54-V138 HydrophobicContact CZ-CG1 3.79Å; F54-V138 HydrophobicContact CZ-CG2 4.21Å; A134-V138 WeakPolarHBondContact O-CB 3.31Å; A134-V138 WeakPolarHBondContact O-CG2 3.43Å; A134-V138 PolarHBondContact O-N 3.4Å; L135-V138 WeakPolarHBondContact O-CB 3.33Å; L135-V138 PolarHBondContact O-N 3.31Å; V138-I141 PolarHBondContact O-N 2.87Å; V138-W142 PolarHBondContact O-N 3.04Å; V138-W142 VanDerWaalsContact O-N 3.13Å
139M94.5Very high91.1Very high122 Ų12265 Ų6560%0.60133%0.33SS*.Hα-helixtrans-62-46177.9-69-61.9-64.800111.3L135 H136 A137 I141 W142 M143L135-M139 WeakPolarHBondContact O-CG 3.1Å; L135-M139 PolarHBondContact O-N 3.1Å; H136-M139 PolarHBondContact O-N 3.46Å; A137-M139 VanDerWaalsContact C-N 3.35Å; A137-M139 PolarHBondContact O-N 3.23Å; M139-I141 VanDerWaalsContact C-N 3.34Å; M139-I141 PolarHBondContact O-N 2.92Å; M139-W142 PolarHBondContact O-N 2.78Å; M139-M143 WeakPolarHBondContact O-CB 3.37Å; M139-M143 VanDerWaalsContact O-CG 3.23Å; M139-M143 WeakPolarHBondContact O-CG 3.14Å; M139-M143 PolarHBondContact O-N 3.44Å
140G95.3Very high91Very high34 Ų3461 Ų6135%0.35131%0.31SS..Hα-helixtrans-61.1-40.517700000113H136 A137 M143 V144H136-G140 PolarHBondContact O-N 3.48Å; A137-G140 PolarHBondContact O-N 3.36Å; G140-M143 PolarHBondContact O-N 3.18Å; G140-V144 WeakPolarHBondContact O-CB 3.49Å; G140-V144 VanDerWaalsContact O-CG2 3.31Å; G140-V144 WeakPolarHBondContact O-CG2 2.95Å; G140-V144 PolarHBondContact O-N 2.91Å
141I96.1Very high90.8Very high13 Ų1363.1 Ų63.17%0.06732%0.319CS..Hα-helixtrans-60.3-49.7177.6-71.8165000110.8A103 F106 S110 A137 V138 M139 S145A103-I141 HydrophobicContact CB-CG2 4.14Å; F106-I141 HydrophobicContact CB-CB 4.42Å; F106-I141 HydrophobicContact CB-CD1 4.08Å; F106-I141 HydrophobicContact CB-CG1 3.79Å; F106-I141 HydrophobicContact CB-CG2 3.84Å; F106-I141 HydrophobicContact CD2-CG2 4.36Å; S110-I141 WeakPolarHBondContact OG-CD1 3.36Å; A137-I141 WeakPolarHBondContact O-CB 3.09Å; A137-I141 WeakPolarHBondContact O-CD1 3.12Å; A137-I141 WeakPolarHBondContact O-CG1 3.38Å; A137-I141 PolarHBondContact O-N 3.48Å; V138-I141 PolarHBondContact O-N 2.87Å; M139-I141 VanDerWaalsContact C-N 3.34Å; M139-I141 PolarHBondContact O-N 2.92Å; I141-S145 VanDerWaalsContact O-CB 3.25Å; I141-S145 WeakPolarHBondContact O-CB 3.24Å; I141-S145 PolarHBondContact O-N 3.16Å; I141-S145 PolarHBondContact O-OG 2.85Å
142W95.2Very high90.3Very high73 Ų7358.1 Ų58.128%0.27730%0.298SS..Hα-helixtrans-63.1-46.3177.1-88.4110.3000112.1F54 T58 L61 T99 L100 V138 M139 V144 S145 F146F54-W142 AromaticContact CD2-NE1 3.93Å; F54-W142 AromaticContact CE1-NE1 3.91Å; F54-W142 AromaticContact CE2-CD1 3.16Å; F54-W142 AromaticContact CE2-CE2 3.95Å; F54-W142 HydrophobicContact CE2-CG 4.43Å; F54-W142 AromaticContact CE2-NE1 2.76Å; F54-W142 AromaticContact CZ-CD1 3.04Å; F54-W142 HydrophobicContact CZ-CD2 4.5Å; F54-W142 AromaticContact CZ-CE2 3.76Å; F54-W142 HydrophobicContact CZ-CG 4.09Å; F54-W142 AromaticContact CZ-NE1 2.79Å; T58-W142 HydrophobicContact CG2-CH2 4.46Å; T58-W142 HydrophobicContact CG2-CZ2 3.81Å; L61-W142 HydrophobicContact CD1-CH2 3.49Å; L61-W142 VanDerWaalsContact CD1-CH2 3.49Å; L61-W142 HydrophobicContact CD1-CZ2 3.91Å; T99-W142 HydrophobicContact CG2-CE3 4.09Å; T99-W142 HydrophobicContact CG2-CZ3 3.93Å; L100-W142 HydrophobicContact CD2-CH2 3.59Å; L100-W142 HydrophobicContact CD2-CZ3 4.15Å; V138-W142 PolarHBondContact O-N 3.04Å; V138-W142 VanDerWaalsContact O-N 3.13Å; M139-W142 PolarHBondContact O-N 2.78Å; W142-V144 PolarHBondContact O-N 3.34Å; W142-S145 PolarHBondContact O-N 2.96Å; W142-F146 WeakPolarHBondContact O-CB 3.44Å; W142-F146 PolarHBondContact O-N 3.24Å
143M94.6Very high89.5Confident109 Ų10953.8 Ų53.854%0.53728%0.284SS..Hα-helixtrans-57.8-51.4-178.8-73.6-61.2-62.600110.9M139 G140 S145 F146 I147M139-M143 WeakPolarHBondContact O-CB 3.37Å; M139-M143 VanDerWaalsContact O-CG 3.23Å; M139-M143 WeakPolarHBondContact O-CG 3.14Å; M139-M143 PolarHBondContact O-N 3.44Å; G140-M143 PolarHBondContact O-N 3.18Å; M143-S145 PolarHBondContact O-N 2.81Å; M143-F146 PolarHBondContact O-N 3.21Å; M143-I147 HydrophobicContact CE-CD1 4.23Å; M143-I147 WeakPolarHBondContact O-CB 3.29Å; M143-I147 WeakPolarHBondContact O-CD1 3.47Å; M143-I147 WeakPolarHBondContact O-CG1 3.39Å; M143-I147 PolarHBondContact O-N 2.86Å
144V92.9Very high88.7Confident67 Ų6755.4 Ų55.441%0.40630%0.295SS..Hα-helixtrans-62.4-45178.9173.10000111F106 G140 W142 L148F106-V144 HydrophobicContact CE2-CG1 4.19Å; G140-V144 WeakPolarHBondContact O-CB 3.49Å; G140-V144 VanDerWaalsContact O-CG2 3.31Å; G140-V144 WeakPolarHBondContact O-CG2 2.95Å; G140-V144 PolarHBondContact O-N 2.91Å; W142-V144 PolarHBondContact O-N 3.34Å; V144-L148 HydrophobicContact CG1-CD1 3.69Å; V144-L148 HydrophobicContact CG1-CG 4.46Å; V144-L148 WeakPolarHBondContact O-CB 3.41Å; V144-L148 WeakPolarHBondContact O-CD1 3.35Å; V144-L148 VanDerWaalsContact O-CG 3.23Å; V144-L148 WeakPolarHBondContact O-CG 3.44Å; V144-L148 PolarHBondContact O-N 3.27Å
145S94Very high87.6Confident0 Ų056.5 Ų56.50%031%0.306CS..Hα-helixtrans-65.5-41.7-177.8-54.90000112.3T99 A103 I141 W142 M143 S149T99-S145 WeakPolarHBondContact O-CB 3.48Å; A103-S145 PolarHBondContact N-OG 2.71Å; I141-S145 VanDerWaalsContact O-CB 3.25Å; I141-S145 WeakPolarHBondContact O-CB 3.24Å; I141-S145 PolarHBondContact O-N 3.16Å; I141-S145 PolarHBondContact O-OG 2.85Å; W142-S145 PolarHBondContact O-N 2.96Å; M143-S145 PolarHBondContact O-N 2.81Å; S145-S149 VanDerWaalsContact O-CB 3.32Å; S145-S149 WeakPolarHBondContact O-CB 3.45Å; S145-S149 PolarHBondContact O-N 3.25Å; S145-S149 VanDerWaalsContact O-N 3.14Å; S145-S149 PolarHBondContact O-OG 2.88Å
146F90.9Very high86.7Confident119 Ų11958.6 Ų58.652%0.52231%0.309SS..Hα-helixtrans-70.7-45179.7-178.7-97.9000111.7T99 W142 M143 L148 S149 T150T99-F146 HydrophobicContact CG2-CB 4.37Å; W142-F146 WeakPolarHBondContact O-CB 3.44Å; W142-F146 PolarHBondContact O-N 3.24Å; M143-F146 PolarHBondContact O-N 3.21Å; F146-L148 PolarHBondContact O-N 3.31Å; F146-S149 PolarHBondContact O-N 3.29Å; F146-T150 HydrophobicContact CD1-CG2 4.27Å; F146-T150 HydrophobicContact CD2-CG2 4.26Å; F146-T150 HydrophobicContact CE1-CG2 3.89Å; F146-T150 HydrophobicContact CE2-CG2 3.88Å; F146-T150 HydrophobicContact CG-CG2 4.45Å; F146-T150 HydrophobicContact CZ-CG2 3.68Å; F146-T150 WeakPolarHBondContact O-CB 3.49Å; F146-T150 WeakPolarHBondContact O-CG2 3.46Å; F146-T150 PolarHBondContact O-N 3.1Å; F146-T150 PolarHBondContact O-OG1 2.88Å
147I90.6Very high85.5Confident85 Ų8554.7 Ų54.744%0.43629%0.291SS..Hα-helixtrans-57.1-52.8176.8-71.3166.2000109.2M143 S149 T150 L151M143-I147 HydrophobicContact CE-CD1 4.23Å; M143-I147 WeakPolarHBondContact O-CB 3.29Å; M143-I147 WeakPolarHBondContact O-CD1 3.47Å; M143-I147 WeakPolarHBondContact O-CG1 3.39Å; M143-I147 PolarHBondContact O-N 2.86Å; I147-S149 VanDerWaalsContact C-N 3.3Å; I147-S149 PolarHBondContact O-N 2.92Å; I147-T150 PolarHBondContact O-N 3.28Å; I147-T150 PolarHBondContact O-OG1 3.28Å; I147-L151 WeakPolarHBondContact O-CG 3.35Å; I147-L151 PolarHBondContact O-N 3.2Å
148L86.5Confident84Confident24 Ų2458.8 Ų58.813%0.12631%0.308CS..Hα-helixtrans-60.4-40.5-177.6-70.8168.4000112.8L102 V144 F146 T150 L151 P152 F179 L186L102-L148 HydrophobicContact CD1-CB 4.35Å; L102-L148 HydrophobicContact CD1-CD1 4.09Å; V144-L148 HydrophobicContact CG1-CD1 3.69Å; V144-L148 HydrophobicContact CG1-CG 4.46Å; V144-L148 WeakPolarHBondContact O-CB 3.41Å; V144-L148 WeakPolarHBondContact O-CD1 3.35Å; V144-L148 VanDerWaalsContact O-CG 3.23Å; V144-L148 WeakPolarHBondContact O-CG 3.44Å; V144-L148 PolarHBondContact O-N 3.27Å; F146-L148 PolarHBondContact O-N 3.31Å; L148-T150 VanDerWaalsContact C-N 3.33Å; L148-T150 PolarHBondContact O-N 2.86Å; L148-L151 HydrophobicContact CD2-CD1 4.28Å; L148-P152 WeakPolarHBondContact O-CD 3.29Å; L148-F179 WeakPolarHBondContact O-CE2 3.34Å; L148-L186 HydrophobicContact CD1-CD1 3.13Å; L148-L186 HydrophobicContact CD2-CD1 4.47Å; L148-L186 HydrophobicContact CG-CD1 4.41Å
149S83.6Confident82.2Confident1 Ų164.3 Ų64.31%0.00734%0.337CS..Hα-helixtrans-79.6-14.7-175.3-52.40000114S95 T99 S145 F146 I147S95-S149 WeakPolarHBondContact CB-O 3.39Å; S95-S149 VanDerWaalsContact O-CB 3.26Å; S95-S149 WeakPolarHBondContact O-CB 3.3Å; T99-S149 VanDerWaalsContact CA-OG 3.27Å; T99-S149 WeakPolarHBondContact CA-OG 3.26Å; T99-S149 PolarHBondContact N-OG 3.44Å; T99-S149 WeakPolarHBondContact OG1-CB 3.41Å; T99-S149 PolarHBondContact OG1-OG 3.35Å; S145-S149 VanDerWaalsContact O-CB 3.32Å; S145-S149 WeakPolarHBondContact O-CB 3.45Å; S145-S149 PolarHBondContact O-N 3.25Å; S145-S149 VanDerWaalsContact O-N 3.14Å; S145-S149 PolarHBondContact O-OG 2.88Å; F146-S149 PolarHBondContact O-N 3.29Å; I147-S149 VanDerWaalsContact C-N 3.3Å; I147-S149 PolarHBondContact O-N 2.92Å
150T82.1Confident80.4Confident29 Ų2961.9 Ų61.918%0.17834%0.343CS..Hα-helixtrans-91.5-19.4175.249.90000113.1F146 I147 L148 S153 I154F146-T150 HydrophobicContact CD1-CG2 4.27Å; F146-T150 HydrophobicContact CD2-CG2 4.26Å; F146-T150 HydrophobicContact CE1-CG2 3.89Å; F146-T150 HydrophobicContact CE2-CG2 3.88Å; F146-T150 HydrophobicContact CG-CG2 4.45Å; F146-T150 HydrophobicContact CZ-CG2 3.68Å; F146-T150 WeakPolarHBondContact O-CB 3.49Å; F146-T150 WeakPolarHBondContact O-CG2 3.46Å; F146-T150 PolarHBondContact O-N 3.1Å; F146-T150 PolarHBondContact O-OG1 2.88Å; I147-T150 PolarHBondContact O-N 3.28Å; I147-T150 PolarHBondContact O-OG1 3.28Å; L148-T150 VanDerWaalsContact C-N 3.33Å; L148-T150 PolarHBondContact O-N 2.86Å; T150-S153 WeakPolarHBondContact O-CA 3.28Å; T150-S153 WeakPolarHBondContact O-CB 3.45Å; T150-S153 PolarHBondContact O-N 2.98Å; T150-I154 WeakPolarHBondContact O-CG1 3.46Å; T150-I154 PolarHBondContact O-N 3.04Å
151L82.3Confident78.6Confident54 Ų5467 Ų6728%0.28336%0.358SS..Hα-helixtrans-56.2-41.8176.8-64.1166.4000113.5I147 L148 S153 I154 W156I147-L151 WeakPolarHBondContact O-CG 3.35Å; I147-L151 PolarHBondContact O-N 3.2Å; L148-L151 HydrophobicContact CD2-CD1 4.28Å; L151-S153 PolarHBondContact O-N 3.24Å; L151-I154 PolarHBondContact O-N 2.78Å; L151-W156 HydrophobicContact CB-CB 4.22Å; L151-W156 HydrophobicContact CB-CD2 4.44Å; L151-W156 HydrophobicContact CB-CE3 3.56Å; L151-W156 HydrophobicContact CB-CZ3 4.3Å; L151-W156 HydrophobicContact CD1-CE3 3.59Å; L151-W156 HydrophobicContact CD1-CZ3 3.48Å; L151-W156 VanDerWaalsContact CD1-CZ3 3.48Å; L151-W156 HydrophobicContact CG-CE3 4.12Å; L151-W156 HydrophobicContact CG-CZ3 4.48Å; L151-W156 WeakPolarHBondContact O-CB 3.28Å; L151-W156 PolarHBondContact O-N 3.43Å; L151-W156 VanDerWaalsContact O-N 3.14Å
152P75.8Confident76.6Confident2 Ų277 Ų771%0.01340%0.395CS..Hα-helixtrans-53.7-34.7169.8-33.740.9000114.7L148 H157 I175 F179L148-P152 WeakPolarHBondContact O-CD 3.29Å; P152-H157 PolarHBondContact O-CD2 3.5Å; P152-I175 HydrophobicContact CB-CG2 3.49Å; P152-I175 VanDerWaalsContact CB-CG2 3.49Å; P152-I175 HydrophobicContact CG-CG2 3.63Å; P152-F179 HydrophobicContact CG-CD1 4.02Å; P152-F179 HydrophobicContact CG-CD2 3.66Å; P152-F179 HydrophobicContact CG-CE1 4.07Å; P152-F179 HydrophobicContact CG-CE2 3.72Å; P152-F179 HydrophobicContact CG-CG 3.83Å; P152-F179 HydrophobicContact CG-CZ 3.92Å
153S72.3Confident74.7Confident40 Ų4074.9 Ų74.928%0.2839%0.387SS..Hα-helixtrans-78.7-22.3-177.5-58.20000113T150 L151T150-S153 WeakPolarHBondContact O-CA 3.28Å; T150-S153 WeakPolarHBondContact O-CB 3.45Å; T150-S153 PolarHBondContact O-N 2.98Å; L151-S153 PolarHBondContact O-N 3.24Å
154I74.4Confident73Confident136 Ų13670.1 Ų70.170%0.69736%0.363SS*.Hα-helixtrans-88-7.3-177.4-63.4164.6000111.9T150 L151T150-I154 WeakPolarHBondContact O-CG1 3.46Å; T150-I154 PolarHBondContact O-N 3.04Å; L151-I154 PolarHBondContact O-N 2.78Å
155G67Low71Confident30 Ų3069.7 Ų69.731%0.30937%0.366SS..THydrogen-bonded Turntrans11015.3179.600000113.9H157G155-H157 PolarHBondContact O-N 3.23Å
156W72.3Confident68.9Low119 Ų11980.6 Ų80.645%0.45141%0.408SS..  trans-77.254.4163.8-163.321.6000111L151 F179L151-W156 HydrophobicContact CB-CB 4.22Å; L151-W156 HydrophobicContact CB-CD2 4.44Å; L151-W156 HydrophobicContact CB-CE3 3.56Å; L151-W156 HydrophobicContact CB-CZ3 4.3Å; L151-W156 HydrophobicContact CD1-CE3 3.59Å; L151-W156 HydrophobicContact CD1-CZ3 3.48Å; L151-W156 VanDerWaalsContact CD1-CZ3 3.48Å; L151-W156 HydrophobicContact CG-CE3 4.12Å; L151-W156 HydrophobicContact CG-CZ3 4.48Å; L151-W156 WeakPolarHBondContact O-CB 3.28Å; L151-W156 PolarHBondContact O-N 3.43Å; L151-W156 VanDerWaalsContact O-N 3.14Å; W156-F179 HydrophobicContact CE3-CB 4.21Å; W156-F179 HydrophobicContact CZ3-CB 4.37Å
157H67.5Low67.4Low42 Ų4275.9 Ų75.919%0.19439%0.392CS..SBendtrans-137.4168.6173.966.775.6000110P152 G155 N159 I175P152-H157 PolarHBondContact O-CD2 3.5Å; G155-H157 PolarHBondContact O-N 3.23Å; H157-N159 PolarHBondContact O-N 3.29Å; H157-N159 PolarHBondContact O-OD1 3.1Å; H157-I175 WeakPolarHBondContact CA-O 3.24Å; H157-I175 WeakPolarHBondContact CB-O 3.44Å
158N62Low66.4Low123 Ų12373 Ų7366%0.65838%0.379SS*.  trans-67.9120.3175.8-1651000109.2G160N158-G160 VanDerWaalsContact C-N 3.28Å; N158-G160 PolarHBondContact O-N 3.22Å
159N57.2Low65.3Low129 Ų12976 Ų7669%0.6939%0.393SS*.THydrogen-bonded Turntrans-78.2-10.3-173.5-69.1-28.8000113.7H157 E161H157-N159 PolarHBondContact O-N 3.29Å; H157-N159 PolarHBondContact O-OD1 3.1Å; N159-E161 VanDerWaalsContact C-N 3.33Å
160G56.6Low64.3Low70 Ų7076.6 Ų76.672%0.72240%0.395SS*.THydrogen-bonded Turntrans-73.6-19.7-178.700000114.8N158N158-G160 VanDerWaalsContact C-N 3.28Å; N158-G160 PolarHBondContact O-N 3.22Å
161E56Low63.5Low143 Ų14376.1 Ų76.167%0.66839%0.391SS*.SBendtrans-123.4127.8176-62.9-173.8160.100108N159 Y163N159-E161 VanDerWaalsContact C-N 3.33Å; E161-Y163 PolarHBondContact O-N 3.49Å
162R55.6Low62.4Low222 Ų22273.7 Ų73.784%0.83838%0.379SS*.  trans-67.389.7172.2-72.9-177179.9150.9-0.2108.3Y164 A165R162-Y164 PolarHBondContact O-N 3.3Å; R162-A165 HydrophobicContact CB-CB 3.44Å; R162-A165 VanDerWaalsContact CB-CB 3.44Å; R162-A165 HydrophobicContact CG-CB 4.45Å; R162-A165 WeakPolarHBondContact O-CB 3.32Å; R162-A165 PolarHBondContact O-N 2.96Å
163Y55Low61.3Low29 Ų2974.4 Ų74.411%0.11438%0.384CS..THydrogen-bonded Turntrans-49.6-31.5-170.2-171.5-97000114.6E161 Q169 I171 K174 I175E161-Y163 PolarHBondContact O-N 3.49Å; Y163-Q169 PolarHBondContact OH-O 3.12Å; Y163-I171 PolarHBondContact OH-O 3.43Å; Y163-K174 WeakPolarHBondContact CD2-O 3.42Å; Y163-K174 HydrophobicContact CE2-CB 3.62Å; Y163-K174 WeakPolarHBondContact CE2-O 3.5Å; Y163-I175 HydrophobicContact CE1-CG1 3.81Å; Y163-I175 HydrophobicContact CE2-CG1 4.23Å; Y163-I175 VanDerWaalsContact CZ-CG1 3.44Å; Y163-I175 WeakPolarHBondContact OH-CG1 3.31Å
164Y57.8Low60.5Low9 Ų975.5 Ų75.54%0.03538%0.383CS..THydrogen-bonded Turntrans-105.42.7-178-63.1-77.6000114.6E87 C90 K91 R162E87-Y164 HydrophobicContact CG-CG 4.17Å; C90-Y164 HydrophobicContact CB-CD1 3.89Å; C90-Y164 HydrophobicContact CB-CE1 4.29Å; C90-Y164 VanDerWaalsContact SG-CD1 3.59Å; K91-Y164 HydrophobicContact CB-CE1 4.31Å; K91-Y164 HydrophobicContact CD-CD2 4.17Å; K91-Y164 HydrophobicContact CD-CE2 4.1Å; K91-Y164 HydrophobicContact CG-CD1 3.84Å; K91-Y164 HydrophobicContact CG-CD2 3.85Å; K91-Y164 HydrophobicContact CG-CE1 3.52Å; K91-Y164 HydrophobicContact CG-CE2 3.53Å; K91-Y164 HydrophobicContact CG-CG 3.99Å; R162-Y164 PolarHBondContact O-N 3.3Å
165A51.3Low60.1Low57 Ų5769 Ų6947%0.47135%0.35SS..SBendtrans-85.3-12.9-172.600000114.6R162R162-A165 HydrophobicContact CB-CB 3.44Å; R162-A165 VanDerWaalsContact CB-CB 3.44Å; R162-A165 HydrophobicContact CG-CB 4.45Å; R162-A165 WeakPolarHBondContact O-CB 3.32Å; R162-A165 PolarHBondContact O-N 2.96Å
166R51.1Low60.2Low230 Ų23068.3 Ų68.387%0.86834%0.343SS*.SBendtrans-141.991.1177.7-68.3-173.5-177.8171.60.8111
167G58.9Low60.5Low19 Ų1968.6 Ų68.620%0.19635%0.353CS..SBendtrans72.5153.9178.600000114.4Q169G167-Q169 PolarHBondContact O-N 3.34Å
168C68.5Low61.1Low24 Ų2468.3 Ų68.316%0.16236%0.362CS..  trans-88.1104.5178-167.40000111.5W85 C90W85-C168 HydrophobicContact CB-CB 3.76Å; W85-C168 HydrophobicContact CD2-CB 3.23Å; W85-C168 HydrophobicContact CE3-CB 3.7Å; W85-C168 HydrophobicContact CG-CB 3.26Å; W85-C168 HydrophobicContact CZ2-CB 4.35Å; W85-C168 HydrophobicContact CZ3-CB 4.41Å; C90-C168 VanDerWaalsContact CA-SG 3.54Å; C90-C168 HydrophobicContact CB-CB 3.67Å; C90-C168 WeakPolarHBondContact CB-SG 3.4Å; C90-C168 WeakPolarHBondContact SG-CA 3.47Å; C90-C168 WeakPolarHBondContact SG-CB 3.48Å; C90-C168 CovalentContact SG-SG 2.04Å; C90-C168 PolarHBondContact SG-SG 2.9Å
169Q64.9Low62.1Low88 Ų8862.6 Ų62.641%0.41133%0.331SS..  trans-91.5107.7174.3-62.3-161.40.800110.4Y163 G167 I171Y163-Q169 PolarHBondContact OH-O 3.12Å; G167-Q169 PolarHBondContact O-N 3.34Å; Q169-I171 PolarHBondContact O-N 2.94Å
170F63Low63.4Low13 Ų1356.4 Ų56.46%0.05730%0.298CS..  trans-70.2-3.8-180-177.4-107.1000113.9F93 Y97 Y98 V306 V309 L310F93-F170 HydrophobicContact CD1-CD2 4.35Å; F93-F170 AromaticContact CE1-CD2 3.38Å; F93-F170 HydrophobicContact CE1-CD2 3.38Å; F93-F170 AromaticContact CE1-CE2 3.9Å; F93-F170 HydrophobicContact CE1-CE2 3.9Å; F93-F170 HydrophobicContact CE1-CG 4.32Å; F93-F170 AromaticContact CZ-CD2 3.68Å; F93-F170 HydrophobicContact CZ-CD2 3.68Å; F93-F170 AromaticContact CZ-CE2 3.74Å; F93-F170 HydrophobicContact CZ-CE2 3.74Å; Y97-F170 HydrophobicContact CD1-CE1 4.49Å; Y97-F170 AromaticContact CD1-CE2 3.44Å; Y97-F170 HydrophobicContact CD1-CE2 3.44Å; Y97-F170 VanDerWaalsContact CD1-CE2 3.44Å; Y97-F170 AromaticContact CD1-CZ 3.36Å; Y97-F170 HydrophobicContact CD1-CZ 3.36Å; Y97-F170 AromaticContact CD2-CE2 3.93Å; Y97-F170 HydrophobicContact CD2-CE2 3.93Å; Y97-F170 AromaticContact CD2-CZ 3.94Å; Y97-F170 HydrophobicContact CD2-CZ 3.94Å; Y97-F170 HydrophobicContact CE1-CE1 4.18Å; Y97-F170 AromaticContact CE1-CE2 3.9Å; Y97-F170 HydrophobicContact CE1-CE2 3.9Å; Y97-F170 AromaticContact CE1-CZ 3.28Å; Y97-F170 HydrophobicContact CE1-CZ 3.28Å; Y97-F170 HydrophobicContact CE2-CE2 4.32Å; Y97-F170 AromaticContact CE2-CZ 3.86Å; Y97-F170 HydrophobicContact CE2-CZ 3.86Å; Y97-F170 AromaticContact CG-CE2 3.49Å; Y97-F170 HydrophobicContact CG-CE2 3.49Å; Y97-F170 VanDerWaalsContact CG-CE2 3.49Å; Y97-F170 AromaticContact CG-CZ 3.72Å; Y97-F170 HydrophobicContact CG-CZ 3.72Å; Y97-F170 AromaticContact CZ-CZ 3.55Å; Y98-F170 PolarHBondContact OH-O 3.44Å; F170-V306 HydrophobicContact CB-CG1 4Å; F170-V306 HydrophobicContact CB-CG2 4.39Å; F170-V306 HydrophobicContact CD1-CB 4.2Å; F170-V306 HydrophobicContact CD1-CG1 3.46Å; F170-V306 VanDerWaalsContact CD1-CG1 3.46Å; F170-V306 HydrophobicContact CD1-CG2 3.94Å; F170-V306 HydrophobicContact CE1-CG1 3.99Å; F170-V306 HydrophobicContact CG-CG1 3.87Å; F170-V309 HydrophobicContact CE1-CG1 4.19Å; F170-V309 HydrophobicContact CZ-CG1 4.47Å; F170-L310 HydrophobicContact CE2-CD2 4.43Å; F170-L310 HydrophobicContact CZ-CD2 4.15Å
171I63.9Low64.8Low19 Ų1956.1 Ų56.110%0.09728%0.282CS..  trans-88.1128.2-162.4-64.2160.3000112.5Y163 Q169 S173 K174 S295 A301 V306Y163-I171 PolarHBondContact OH-O 3.43Å; Q169-I171 PolarHBondContact O-N 2.94Å; I171-S173 VanDerWaalsContact C-N 3.34Å; I171-S173 PolarHBondContact O-N 3.38Å; I171-K174 PolarHBondContact O-N 2.83Å; I171-S295 WeakPolarHBondContact CG2-OG 3.23Å; I171-A301 HydrophobicContact CD1-CB 3.35Å; I171-A301 WeakPolarHBondContact CD1-O 3.05Å; I171-A301 HydrophobicContact CG1-CB 3.6Å; I171-A301 HydrophobicContact CG2-CB 4.15Å; I171-V306 HydrophobicContact CG1-CG2 4.42Å
172V58.7Low66.4Low3 Ų351.2 Ų51.22%0.01826%0.263CS..Hα-helixtrans-54.4-39179.9177.80000114.4Y98 K174 I175Y98-V172 HydrophobicContact CE1-CG2 3.72Å; Y98-V172 WeakPolarHBondContact OH-CG2 3.47Å; V172-K174 VanDerWaalsContact C-N 3.31Å; V172-K174 PolarHBondContact O-N 3.38Å; V172-I175 PolarHBondContact O-N 2.86Å
173S52.6Low68Low18 Ų1840.8 Ų40.813%0.12622%0.224CC..Hα-helixtrans-70.2-28.8-175.679.40000113.6I171 S295 D299I171-S173 VanDerWaalsContact C-N 3.34Å; I171-S173 PolarHBondContact O-N 3.38Å; S173-S295 WeakPolarHBondContact CB-O 3.41Å; S173-S295 PolarHBondContact OG-O 3.34Å; S173-S295 VanDerWaalsContact OG-O 3.06Å; S173-D299 PolarHBondContact OG-OD1 3.39Å
174K57Low69.7Low62 Ų6240.3 Ų40.327%0.2722%0.224SC..Hα-helixtrans-80.3-28.8-178.5-65.2-70.4-170.4-171.70111Y163 I171 V172 D299Y163-K174 WeakPolarHBondContact CD2-O 3.42Å; Y163-K174 HydrophobicContact CE2-CB 3.62Å; Y163-K174 WeakPolarHBondContact CE2-O 3.5Å; I171-K174 PolarHBondContact O-N 2.83Å; V172-K174 VanDerWaalsContact C-N 3.31Å; V172-K174 PolarHBondContact O-N 3.38Å; K174-D299 WeakPolarHBondContact CD-OD1 3.39Å; K174-D299 WeakPolarHBondContact CE-O 3.29Å; K174-D299 WeakPolarHBondContact CE-OD1 3.27Å; K174-D299 PolarHBondContact NZ-O 3.39Å; K174-D299 IonicContact NZ-OD1 2.74Å; K174-D299 PolarHBondContact NZ-OD1 3.44Å; K174-D299 VanDerWaalsContact NZ-OD1 3.07Å; K174-D299 IonicContact NZ-OD2 2.63Å; K174-D299 PolarHBondContact NZ-OD2 3.48Å
175I64.5Low71.4Confident0 Ų045.2 Ų45.20%025%0.251CS..Hα-helixtrans-65.4-46.1176.7-61.6173.7000110.7V94 Y98 P152 H157 Y163 V172 F179V94-I175 HydrophobicContact CG1-CD1 3.78Å; Y98-I175 HydrophobicContact CE2-CD1 3.84Å; P152-I175 HydrophobicContact CB-CG2 3.49Å; P152-I175 VanDerWaalsContact CB-CG2 3.49Å; P152-I175 HydrophobicContact CG-CG2 3.63Å; H157-I175 WeakPolarHBondContact CA-O 3.24Å; H157-I175 WeakPolarHBondContact CB-O 3.44Å; Y163-I175 HydrophobicContact CE1-CG1 3.81Å; Y163-I175 HydrophobicContact CE2-CG1 4.23Å; Y163-I175 VanDerWaalsContact CZ-CG1 3.44Å; Y163-I175 WeakPolarHBondContact OH-CG1 3.31Å; V172-I175 PolarHBondContact O-N 2.86Å; I175-F179 HydrophobicContact CB-CD1 4.27Å; I175-F179 HydrophobicContact CD1-CD1 4.47Å; I175-F179 HydrophobicContact CD1-CE1 4.16Å; I175-F179 HydrophobicContact CG2-CD1 3.86Å; I175-F179 HydrophobicContact CG2-CE1 4.42Å; I175-F179 HydrophobicContact CG2-CG 4.39Å
176G70.5Confident73.5Confident16 Ų1645 Ų4517%0.16524%0.241CC..  trans160.7135.5178.500000112G178 F179 G180G176-G178 VanDerWaalsContact C-N 3.29Å; G176-G178 PolarHBondContact O-N 3.33Å; G176-F179 PolarHBondContact O-N 2.94Å; G176-G180 PolarHBondContact O-N 3.4Å
177L77.5Confident75.5Confident124 Ų12434.2 Ų34.265%0.64920%0.201SC*.Hα-helixtrans-55.8-43.1-177.1-171.277.2000112.1G180 V181 L296L177-G180 PolarHBondContact O-N 2.92Å; L177-V181 HydrophobicContact CG-CG2 4.47Å; L177-V181 WeakPolarHBondContact O-CB 3.37Å; L177-V181 VanDerWaalsContact O-CG2 3.29Å; L177-V181 WeakPolarHBondContact O-CG2 3.41Å; L177-V181 PolarHBondContact O-N 3.46Å; L177-L296 HydrophobicContact CD1-CD2 3.83Å
178G80.6Confident77.3Confident37 Ų3737.2 Ų37.238%0.38121%0.212SC..Hα-helixtrans-63.4-48.1-179.300000113.1G176 G180 C182G176-G178 VanDerWaalsContact C-N 3.29Å; G176-G178 PolarHBondContact O-N 3.33Å; G178-G180 VanDerWaalsContact C-N 3.33Å; G178-G180 PolarHBondContact O-N 3.27Å; G178-C182 VanDerWaalsContact O-CB 3.28Å; G178-C182 WeakPolarHBondContact O-CB 3.48Å; G178-C182 PolarHBondContact O-N 3.01Å
179F82.6Confident78.6Confident2 Ų237.7 Ų37.71%0.00922%0.221CC..Hα-helixtrans-59.5-46.1174.7171.8-103.6000110.8Y98 L148 P152 W156 I175 G176 V181 C182 F183Y98-F179 HydrophobicContact CD2-CE1 4.34Å; Y98-F179 HydrophobicContact CD2-CZ 4.26Å; Y98-F179 HydrophobicContact CE2-CE1 4.49Å; Y98-F179 HydrophobicContact CG-CZ 4.27Å; L148-F179 WeakPolarHBondContact O-CE2 3.34Å; P152-F179 HydrophobicContact CG-CD1 4.02Å; P152-F179 HydrophobicContact CG-CD2 3.66Å; P152-F179 HydrophobicContact CG-CE1 4.07Å; P152-F179 HydrophobicContact CG-CE2 3.72Å; P152-F179 HydrophobicContact CG-CG 3.83Å; P152-F179 HydrophobicContact CG-CZ 3.92Å; W156-F179 HydrophobicContact CE3-CB 4.21Å; W156-F179 HydrophobicContact CZ3-CB 4.37Å; I175-F179 HydrophobicContact CB-CD1 4.27Å; I175-F179 HydrophobicContact CD1-CD1 4.47Å; I175-F179 HydrophobicContact CD1-CE1 4.16Å; I175-F179 HydrophobicContact CG2-CD1 3.86Å; I175-F179 HydrophobicContact CG2-CE1 4.42Å; I175-F179 HydrophobicContact CG2-CG 4.39Å; G176-F179 PolarHBondContact O-N 2.94Å; F179-V181 PolarHBondContact O-N 3.43Å; F179-C182 PolarHBondContact O-N 3.42Å; F179-F183 HydrophobicContact CZ-CB 4.46Å; F179-F183 HydrophobicContact CZ-CD2 4.47Å; F179-F183 VanDerWaalsContact O-CB 3.29Å; F179-F183 WeakPolarHBondContact O-CB 3.32Å; F179-F183 PolarHBondContact O-N 3.1Å
180G84.4Confident80.1Confident0 Ų033.7 Ų33.70%020%0.204CC..Hα-helixtrans-66.4-40-176.100000115.4G176 L177 G178 S184G176-G180 PolarHBondContact O-N 3.4Å; L177-G180 PolarHBondContact O-N 2.92Å; G178-G180 VanDerWaalsContact C-N 3.33Å; G178-G180 PolarHBondContact O-N 3.27Å; G180-S184 VanDerWaalsContact O-CB 3.31Å; G180-S184 WeakPolarHBondContact O-CB 3.32Å; G180-S184 PolarHBondContact O-N 3.34Å; G180-S184 PolarHBondContact O-OG 3Å
181V86.5Confident81.7Confident64 Ų6433.6 Ų33.639%0.38820%0.204SC..Hα-helixtrans-66.3-45.8173.3173.20000110.3L177 F179 S184 L185L177-V181 HydrophobicContact CG-CG2 4.47Å; L177-V181 WeakPolarHBondContact O-CB 3.37Å; L177-V181 VanDerWaalsContact O-CG2 3.29Å; L177-V181 WeakPolarHBondContact O-CG2 3.41Å; L177-V181 PolarHBondContact O-N 3.46Å; F179-V181 PolarHBondContact O-N 3.43Å; V181-S184 PolarHBondContact O-N 3.28Å; V181-L185 HydrophobicContact CG1-CD1 3.9Å; V181-L185 HydrophobicContact CG1-CG 4.31Å; V181-L185 WeakPolarHBondContact O-CB 3.49Å; V181-L185 VanDerWaalsContact O-CG 3.29Å; V181-L185 WeakPolarHBondContact O-CG 3.35Å; V181-L185 PolarHBondContact O-N 3.49Å
182C89.2Confident83.3Confident39 Ų3936.1 Ų36.126%0.26422%0.22SC..Hα-helixtrans-58.8-50.7178.1-176.30000111.9G178 F179 S184 L185 L186G178-C182 VanDerWaalsContact O-CB 3.28Å; G178-C182 WeakPolarHBondContact O-CB 3.48Å; G178-C182 PolarHBondContact O-N 3.01Å; F179-C182 PolarHBondContact O-N 3.42Å; C182-S184 VanDerWaalsContact C-N 3.34Å; C182-S184 PolarHBondContact O-N 2.65Å; C182-L185 PolarHBondContact O-N 3.27Å; C182-L186 WeakPolarHBondContact O-CB 3.15Å; C182-L186 WeakPolarHBondContact O-CG 3.48Å; C182-L186 PolarHBondContact O-N 3.44Å
183F89.7Confident85.1Confident3 Ų341.2 Ų41.21%0.01324%0.244CC..Hα-helixtrans-56.6-47.6176.6175.6-91.5000111.6Y98 A101 L102 F179 L185 L186 L187 I288Y98-F183 HydrophobicContact CD1-CD2 4.05Å; Y98-F183 HydrophobicContact CD1-CE1 4.15Å; Y98-F183 AromaticContact CD1-CE2 3.44Å; Y98-F183 HydrophobicContact CD1-CE2 3.44Å; Y98-F183 VanDerWaalsContact CD1-CE2 3.44Å; Y98-F183 AromaticContact CD1-CZ 3.52Å; Y98-F183 HydrophobicContact CD1-CZ 3.52Å; Y98-F183 HydrophobicContact CE1-CE1 4.17Å; Y98-F183 HydrophobicContact CE1-CE2 4.26Å; Y98-F183 AromaticContact CE1-CZ 3.96Å; Y98-F183 HydrophobicContact CE1-CZ 3.96Å; Y98-F183 HydrophobicContact CG-CE2 4.21Å; A101-F183 HydrophobicContact CB-CZ 4.47Å; L102-F183 HydrophobicContact CD1-CD2 3.81Å; L102-F183 HydrophobicContact CD1-CE2 4.06Å; L102-F183 HydrophobicContact CD2-CD2 4.02Å; L102-F183 HydrophobicContact CD2-CE2 3.97Å; L102-F183 HydrophobicContact CG-CD2 3.83Å; L102-F183 HydrophobicContact CG-CE2 3.62Å; F179-F183 HydrophobicContact CZ-CB 4.46Å; F179-F183 HydrophobicContact CZ-CD2 4.47Å; F179-F183 VanDerWaalsContact O-CB 3.29Å; F179-F183 WeakPolarHBondContact O-CB 3.32Å; F179-F183 PolarHBondContact O-N 3.1Å; F183-L185 PolarHBondContact O-N 3.23Å; F183-L186 PolarHBondContact O-N 2.92Å; F183-L187 HydrophobicContact CE1-CD2 3.86Å; F183-L187 HydrophobicContact CZ-CD2 4.13Å; F183-L187 VanDerWaalsContact O-CB 3.32Å; F183-L187 WeakPolarHBondContact O-CB 3.25Å; F183-L187 PolarHBondContact O-N 3.43Å; F183-I288 HydrophobicContact CE1-CG2 3.66Å; F183-I288 HydrophobicContact CZ-CG2 4Å
184S91.1Very high87.2Confident19 Ų1940.3 Ų40.313%0.13324%0.238CC..Hα-helixtrans-64-41.1-179.6-57.70000112.1G180 V181 C182 L188G180-S184 VanDerWaalsContact O-CB 3.31Å; G180-S184 WeakPolarHBondContact O-CB 3.32Å; G180-S184 PolarHBondContact O-N 3.34Å; G180-S184 PolarHBondContact O-OG 3Å; V181-S184 PolarHBondContact O-N 3.28Å; C182-S184 VanDerWaalsContact C-N 3.34Å; C182-S184 PolarHBondContact O-N 2.65Å; S184-L188 WeakPolarHBondContact O-CB 3.19Å; S184-L188 PolarHBondContact O-N 2.92Å
185L93.4Very high89.1Confident112 Ų11240.4 Ų40.459%0.58624%0.241SC*.Hα-helixtrans-64.5-41.3177.3-74.2174.1000112V181 C182 F183 G189V181-L185 HydrophobicContact CG1-CD1 3.9Å; V181-L185 HydrophobicContact CG1-CG 4.31Å; V181-L185 WeakPolarHBondContact O-CB 3.49Å; V181-L185 VanDerWaalsContact O-CG 3.29Å; V181-L185 WeakPolarHBondContact O-CG 3.35Å; V181-L185 PolarHBondContact O-N 3.49Å; C182-L185 PolarHBondContact O-N 3.27Å; F183-L185 PolarHBondContact O-N 3.23Å; L185-G189 WeakPolarHBondContact O-CA 3.49Å; L185-G189 PolarHBondContact O-N 2.86Å
186L94.1Very high90.6Very high53 Ų5343.7 Ų43.728%0.27726%0.261SS..Hα-helixtrans-69.4-43.9178.8-72.1172.5000112L102 F106 L148 C182 F183 G189 G190L102-L186 HydrophobicContact CD2-CB 4.05Å; F106-L186 HydrophobicContact CE1-CB 4.47Å; F106-L186 HydrophobicContact CZ-CB 3.93Å; F106-L186 HydrophobicContact CZ-CD2 4.08Å; F106-L186 HydrophobicContact CZ-CG 4.44Å; L148-L186 HydrophobicContact CD1-CD1 3.13Å; L148-L186 HydrophobicContact CD2-CD1 4.47Å; L148-L186 HydrophobicContact CG-CD1 4.41Å; C182-L186 WeakPolarHBondContact O-CB 3.15Å; C182-L186 WeakPolarHBondContact O-CG 3.48Å; C182-L186 PolarHBondContact O-N 3.44Å; F183-L186 PolarHBondContact O-N 2.92Å; L186-G189 PolarHBondContact O-N 3.45Å; L186-G190 PolarHBondContact O-N 2.77Å
187L94.4Very high91.9Very high4 Ų443.1 Ų43.12%0.02126%0.255CS..Hα-helixtrans-63.1-48176.1-174.166.8000111C105 F183 G189 G190 I191 I288 L289C105-L187 HydrophobicContact CB-CD1 3.68Å; F183-L187 HydrophobicContact CE1-CD2 3.86Å; F183-L187 HydrophobicContact CZ-CD2 4.13Å; F183-L187 VanDerWaalsContact O-CB 3.32Å; F183-L187 WeakPolarHBondContact O-CB 3.25Å; F183-L187 PolarHBondContact O-N 3.43Å; L187-G189 PolarHBondContact O-N 3.46Å; L187-G190 PolarHBondContact O-N 3.37Å; L187-I191 HydrophobicContact CG-CD1 4.3Å; L187-I191 WeakPolarHBondContact O-CG1 3.44Å; L187-I191 PolarHBondContact O-N 2.83Å; L187-I288 HydrophobicContact CD2-CB 3.94Å; L187-I288 HydrophobicContact CD2-CG2 3.49Å; L187-I288 VanDerWaalsContact CD2-CG2 3.49Å; L187-L289 HydrophobicContact CB-CD2 4.14Å; L187-L289 HydrophobicContact CD2-CD2 3.86Å; L187-L289 HydrophobicContact CD2-CG 3.83Å; L187-L289 HydrophobicContact CG-CD2 4.17Å; L187-L289 HydrophobicContact CG-CG 4.23Å
188L95.9Very high92.7Very high82 Ų8237.2 Ų37.243%0.42922%0.224SC..Hα-helixtrans-62.2-43.1175.9179.762.6000111.6S184 G190 I191 V192 L289S184-L188 WeakPolarHBondContact O-CB 3.19Å; S184-L188 PolarHBondContact O-N 2.92Å; L188-G190 VanDerWaalsContact C-N 3.33Å; L188-G190 PolarHBondContact O-N 3.41Å; L188-I191 PolarHBondContact O-N 3.26Å; L188-V192 HydrophobicContact CD1-CG2 4.09Å; L188-V192 HydrophobicContact CG-CG2 4.35Å; L188-V192 WeakPolarHBondContact O-CB 3.43Å; L188-V192 VanDerWaalsContact O-CG2 3.29Å; L188-V192 WeakPolarHBondContact O-CG2 3.25Å; L188-V192 PolarHBondContact O-N 3.26Å; L188-L289 HydrophobicContact CB-CD1 4.12Å; L188-L289 HydrophobicContact CB-CD2 4.23Å; L188-L289 HydrophobicContact CD1-CD1 3.91Å
189G96.3Very high93.4Very high33 Ų3338.3 Ų38.334%0.3423%0.229SC..Hα-helixtrans-59.6-43.4176.400000112L185 L186 L187 V192 M193L185-G189 WeakPolarHBondContact O-CA 3.49Å; L185-G189 PolarHBondContact O-N 2.86Å; L186-G189 PolarHBondContact O-N 3.45Å; L187-G189 PolarHBondContact O-N 3.46Å; G189-V192 PolarHBondContact O-N 2.91Å; G189-M193 VanDerWaalsContact O-CB 3.26Å; G189-M193 WeakPolarHBondContact O-CB 3.47Å; G189-M193 WeakPolarHBondContact O-CG 2.99Å; G189-M193 PolarHBondContact O-N 2.99Å
190G96.1Very high93.9Very high5 Ų541.2 Ų41.25%0.05224%0.244CC..Hα-helixtrans-61.3-46.7175.200000112.8L186 L187 L188 M193 G194L186-G190 PolarHBondContact O-N 2.77Å; L187-G190 PolarHBondContact O-N 3.37Å; L188-G190 VanDerWaalsContact C-N 3.33Å; L188-G190 PolarHBondContact O-N 3.41Å; G190-M193 PolarHBondContact O-N 3.45Å; G190-G194 PolarHBondContact O-N 2.87Å
191I96.4Very high94.3Very high11 Ų1141.3 Ų41.36%0.05625%0.245CC..Hα-helixtrans-59.6-52176.3-67.8164.5000110.6L187 L188 M193 G194 L195 D281 L289L187-I191 HydrophobicContact CG-CD1 4.3Å; L187-I191 WeakPolarHBondContact O-CG1 3.44Å; L187-I191 PolarHBondContact O-N 2.83Å; L188-I191 PolarHBondContact O-N 3.26Å; I191-M193 VanDerWaalsContact C-N 3.33Å; I191-M193 PolarHBondContact O-N 2.79Å; I191-G194 PolarHBondContact O-N 3.47Å; I191-L195 HydrophobicContact CG2-CD1 3.91Å; I191-L195 HydrophobicContact CG2-CG 4.41Å; I191-L195 WeakPolarHBondContact O-CG 3.39Å; I191-L195 PolarHBondContact O-N 3.45Å; I191-D281 HydrophobicContact CG1-CB 4.34Å; I191-D281 HydrophobicContact CG2-CB 4.08Å; I191-L289 HydrophobicContact CD1-CD1 3.6Å; I191-L289 HydrophobicContact CD1-CG 4.41Å
192V97.3Very high94.5Very high72 Ų7240.9 Ų40.944%0.43624%0.238SC..Hα-helixtrans-59.9-45.2-179.8171.50000110.7L188 G189 G194 L195 V196L188-V192 HydrophobicContact CD1-CG2 4.09Å; L188-V192 HydrophobicContact CG-CG2 4.35Å; L188-V192 WeakPolarHBondContact O-CB 3.43Å; L188-V192 VanDerWaalsContact O-CG2 3.29Å; L188-V192 WeakPolarHBondContact O-CG2 3.25Å; L188-V192 PolarHBondContact O-N 3.26Å; G189-V192 PolarHBondContact O-N 2.91Å; V192-G194 PolarHBondContact O-N 3.41Å; V192-L195 PolarHBondContact O-N 2.93Å; V192-V196 HydrophobicContact CG1-CG2 4.28Å; V192-V196 WeakPolarHBondContact O-CB 3.45Å; V192-V196 VanDerWaalsContact O-CG2 3.23Å; V192-V196 WeakPolarHBondContact O-CG2 3.26Å; V192-V196 PolarHBondContact O-N 3.14Å
193M96.6Very high94.6Very high109 Ų10945.3 Ų45.354%0.53725%0.25SC..Hα-helixtrans-62.4-42.3177.6-75.6-59.3-69.300112.3G189 G190 I191 C197G189-M193 VanDerWaalsContact O-CB 3.26Å; G189-M193 WeakPolarHBondContact O-CB 3.47Å; G189-M193 WeakPolarHBondContact O-CG 2.99Å; G189-M193 PolarHBondContact O-N 2.99Å; G190-M193 PolarHBondContact O-N 3.45Å; I191-M193 VanDerWaalsContact C-N 3.33Å; I191-M193 PolarHBondContact O-N 2.79Å; M193-C197 WeakPolarHBondContact O-CB 3.44Å; M193-C197 PolarHBondContact O-N 3.37Å; M193-C197 PolarHBondContact O-SG 3.17Å
194G96.4Very high94.5Very high0 Ų046 Ų460%025%0.253CS..Hα-helixtrans-58.6-53.5174.900000112G190 I191 V192 V196 C197 V198G190-G194 PolarHBondContact O-N 2.87Å; I191-G194 PolarHBondContact O-N 3.47Å; V192-G194 PolarHBondContact O-N 3.41Å; G194-V196 PolarHBondContact O-N 3.04Å; G194-C197 PolarHBondContact O-N 3.45Å; G194-V198 WeakPolarHBondContact O-CG2 3.5Å; G194-V198 PolarHBondContact O-N 3.18Å
195L96.6Very high94.2Very high63 Ų6346.1 Ų46.133%0.3325%0.253SS..Hα-helixtrans-61.1-42.8179.9-67.9176.2000112.7I191 V192 V198 A199 V277 F278I191-L195 HydrophobicContact CG2-CD1 3.91Å; I191-L195 HydrophobicContact CG2-CG 4.41Å; I191-L195 WeakPolarHBondContact O-CG 3.39Å; I191-L195 PolarHBondContact O-N 3.45Å; V192-L195 PolarHBondContact O-N 2.93Å; L195-V198 PolarHBondContact O-N 3.21Å; L195-A199 WeakPolarHBondContact O-CB 3.22Å; L195-A199 PolarHBondContact O-N 3.5Å; L195-V277 HydrophobicContact CD2-CG1 4.24Å; L195-F278 HydrophobicContact CD2-CD1 3.83Å; L195-F278 HydrophobicContact CD2-CE1 3.58Å; L195-F278 HydrophobicContact CD2-CZ 4.2Å
196V97.1Very high93.8Very high69 Ų6945.2 Ų45.242%0.41825%0.249SC..Hα-helixtrans-63-45.5176.6169.20000110.6V192 G194 V198 A199 I200V192-V196 HydrophobicContact CG1-CG2 4.28Å; V192-V196 WeakPolarHBondContact O-CB 3.45Å; V192-V196 VanDerWaalsContact O-CG2 3.23Å; V192-V196 WeakPolarHBondContact O-CG2 3.26Å; V192-V196 PolarHBondContact O-N 3.14Å; G194-V196 PolarHBondContact O-N 3.04Å; V196-V198 VanDerWaalsContact C-N 3.34Å; V196-V198 PolarHBondContact O-N 2.97Å; V196-A199 PolarHBondContact O-N 3.05Å; V196-I200 HydrophobicContact CG1-CD1 3.72Å; V196-I200 HydrophobicContact CG1-CG1 4.42Å; V196-I200 WeakPolarHBondContact O-CB 3.18Å; V196-I200 WeakPolarHBondContact O-CG1 3.49Å; V196-I200 PolarHBondContact O-N 3.04Å
197C96.6Very high93Very high4 Ų449.6 Ų49.63%0.02726%0.261CS..Hα-helixtrans-60.8-43.8177.1-71.60000111.6M116 M193 G194 I200 T201M116-C197 HydrophobicContact CB-CB 4.26Å; M116-C197 HydrophobicContact SD-CB 4.26Å; M193-C197 WeakPolarHBondContact O-CB 3.44Å; M193-C197 PolarHBondContact O-N 3.37Å; M193-C197 PolarHBondContact O-SG 3.17Å; G194-C197 PolarHBondContact O-N 3.45Å; C197-I200 PolarHBondContact O-N 3.22Å; C197-T201 WeakPolarHBondContact O-CG2 3.27Å; C197-T201 PolarHBondContact O-N 3.26Å
198V95.5Very high92.1Very high1 Ų150.1 Ų50.11%0.00627%0.267CS..Hα-helixtrans-62.4-47.5176.1169.20000111.1G194 L195 V196 I200 T201 F202 V277 F278G194-V198 WeakPolarHBondContact O-CG2 3.5Å; G194-V198 PolarHBondContact O-N 3.18Å; L195-V198 PolarHBondContact O-N 3.21Å; V196-V198 VanDerWaalsContact C-N 3.34Å; V196-V198 PolarHBondContact O-N 2.97Å; V198-I200 VanDerWaalsContact C-N 3.3Å; V198-I200 PolarHBondContact O-N 2.98Å; V198-T201 WeakPolarHBondContact CA-OG1 3.38Å; V198-T201 PolarHBondContact O-N 3.48Å; V198-T201 VanDerWaalsContact O-N 3.09Å; V198-T201 PolarHBondContact O-OG1 2.98Å; V198-F202 HydrophobicContact CG1-CD2 3.62Å; V198-F202 HydrophobicContact CG1-CE2 3.61Å; V198-F202 WeakPolarHBondContact O-CD2 3.42Å; V198-F202 PolarHBondContact O-N 3.4Å; V198-V277 HydrophobicContact CG2-CB 4.03Å; V198-V277 HydrophobicContact CG2-CG1 4.01Å; V198-V277 HydrophobicContact CG2-CG2 3.87Å; V198-F278 HydrophobicContact CG1-CE2 3.69Å; V198-F278 HydrophobicContact CG1-CZ 4.26Å
199A94.9Very high90.9Very high60 Ų6051.4 Ų51.450%0.49627%0.266SS..Hα-helixtrans-57.8-43.7177.200000111.8L195 V196 F202 Y203L195-A199 WeakPolarHBondContact O-CB 3.22Å; L195-A199 PolarHBondContact O-N 3.5Å; V196-A199 PolarHBondContact O-N 3.05Å; A199-F202 PolarHBondContact O-N 2.9Å; A199-Y203 WeakPolarHBondContact O-CB 3.32Å; A199-Y203 PolarHBondContact O-N 3.12Å
200I94.1Very high89.9Confident62 Ų6252.3 Ų52.332%0.31827%0.265SS..Hα-helixtrans-63.2-42.9175.7-67.8168.3000110.8M116 V196 C197 V198 Y203 Q204M116-I200 HydrophobicContact CG-CB 4.28Å; M116-I200 HydrophobicContact CG-CG2 3.81Å; M116-I200 HydrophobicContact SD-CB 4.07Å; M116-I200 HydrophobicContact SD-CD1 3.87Å; M116-I200 HydrophobicContact SD-CG2 3.84Å; V196-I200 HydrophobicContact CG1-CD1 3.72Å; V196-I200 HydrophobicContact CG1-CG1 4.42Å; V196-I200 WeakPolarHBondContact O-CB 3.18Å; V196-I200 WeakPolarHBondContact O-CG1 3.49Å; V196-I200 PolarHBondContact O-N 3.04Å; C197-I200 PolarHBondContact O-N 3.22Å; V198-I200 VanDerWaalsContact C-N 3.3Å; V198-I200 PolarHBondContact O-N 2.98Å; I200-Y203 PolarHBondContact O-N 3.48Å; I200-Q204 VanDerWaalsContact O-CG 3.25Å; I200-Q204 WeakPolarHBondContact O-CG 3.42Å; I200-Q204 PolarHBondContact O-N 2.89Å; I200-Q204 VanDerWaalsContact O-N 3.08Å
201T92.3Very high88.9Confident2 Ų258.6 Ų58.61%0.01229%0.288CS..Hα-helixtrans-60.1-49.9177.6640000111.8R115 M116 C197 V198 Y203 Q204 T205R115-T201 HydrophobicContact CB-CG2 4.43Å; R115-T201 HydrophobicContact CG-CG2 4.19Å; M116-T201 HydrophobicContact CB-CG2 3.59Å; M116-T201 HydrophobicContact CG-CG2 4.24Å; C197-T201 WeakPolarHBondContact O-CG2 3.27Å; C197-T201 PolarHBondContact O-N 3.26Å; V198-T201 WeakPolarHBondContact CA-OG1 3.38Å; V198-T201 PolarHBondContact O-N 3.48Å; V198-T201 VanDerWaalsContact O-N 3.09Å; V198-T201 PolarHBondContact O-OG1 2.98Å; T201-Y203 PolarHBondContact O-N 3.03Å; T201-Q204 PolarHBondContact O-N 3.34Å; T201-T205 WeakPolarHBondContact O-CG2 3.39Å; T201-T205 PolarHBondContact O-N 3.3Å; T201-T205 PolarHBondContact O-OG1 3.48Å; T201-T205 VanDerWaalsContact O-OG1 3.07Å
202F91.2Very high87.6Confident55 Ų5565.1 Ų65.124%0.24131%0.311CS..Hα-helixtrans-63.2-42.9179.6-86.2-66.6000112.4V198 A199 Q204 T205 L206 S274V198-F202 HydrophobicContact CG1-CD2 3.62Å; V198-F202 HydrophobicContact CG1-CE2 3.61Å; V198-F202 WeakPolarHBondContact O-CD2 3.42Å; V198-F202 PolarHBondContact O-N 3.4Å; A199-F202 PolarHBondContact O-N 2.9Å; F202-Q204 PolarHBondContact O-N 2.9Å; F202-T205 WeakPolarHBondContact CA-OG1 3.46Å; F202-T205 PolarHBondContact O-N 3.01Å; F202-T205 PolarHBondContact O-OG1 3.4Å; F202-T205 VanDerWaalsContact O-OG1 3.12Å; F202-L206 HydrophobicContact CD1-CD1 3.96Å; F202-L206 HydrophobicContact CD1-CG 4.41Å; F202-L206 VanDerWaalsContact O-CB 3.3Å; F202-L206 WeakPolarHBondContact O-CB 3.3Å; F202-L206 WeakPolarHBondContact O-CG 3.46Å; F202-L206 PolarHBondContact O-N 2.81Å; F202-S274 VanDerWaalsContact CE2-CB 3.42Å; F202-S274 WeakPolarHBondContact CE2-OG 3.49Å; F202-S274 WeakPolarHBondContact CZ-OG 3.35Å
203Y90.6Very high86.3Confident132 Ų13264.1 Ų64.152%0.51831%0.311SS..Iπ-helixtrans-57-41.8175.9178.4-106.3000111.1A199 I200 T201 W207 A208A199-Y203 WeakPolarHBondContact O-CB 3.32Å; A199-Y203 PolarHBondContact O-N 3.12Å; I200-Y203 PolarHBondContact O-N 3.48Å; T201-Y203 PolarHBondContact O-N 3.03Å; Y203-W207 HydrophobicContact CD2-CB 4.26Å; Y203-W207 HydrophobicContact CD2-CG 4.38Å; Y203-W207 HydrophobicContact CE2-CB 4.17Å; Y203-W207 WeakPolarHBondContact O-CA 3.25Å; Y203-W207 VanDerWaalsContact O-CB 3.29Å; Y203-W207 WeakPolarHBondContact O-CB 3.28Å; Y203-W207 PolarHBondContact O-N 3.39Å; Y203-A208 PolarHBondContact O-N 3.28Å; Y203-A208 VanDerWaalsContact O-N 3.16Å
204Q88Confident85.2Confident18 Ų1867.1 Ų67.18%0.08432%0.316CS..Iπ-helixtrans-75.7-39.3-178.8-68.8172.822.500113.8V119 R120 I200 T201 F202 A208 R209V119-Q204 HydrophobicContact CG1-CB 3.87Å; R120-Q204 VanDerWaalsContact CD-CD 3.45Å; I200-Q204 VanDerWaalsContact O-CG 3.25Å; I200-Q204 WeakPolarHBondContact O-CG 3.42Å; I200-Q204 PolarHBondContact O-N 2.89Å; I200-Q204 VanDerWaalsContact O-N 3.08Å; T201-Q204 PolarHBondContact O-N 3.34Å; F202-Q204 PolarHBondContact O-N 2.9Å; Q204-A208 HydrophobicContact CB-CB 4.38Å; Q204-A208 HydrophobicContact CG-CB 4.49Å; Q204-A208 PolarHBondContact O-N 2.85Å; Q204-R209 PolarHBondContact O-N 2.84Å
205T84.4Confident84Confident22 Ų2273.2 Ų73.214%0.13535%0.345CS..Iπ-helixtrans-69.5-46179.352.60000111.5V119 T201 F202V119-T205 HydrophobicContact CG1-CG2 3.81Å; V119-T205 HydrophobicContact CG2-CG2 4.21Å; T201-T205 WeakPolarHBondContact O-CG2 3.39Å; T201-T205 PolarHBondContact O-N 3.3Å; T201-T205 PolarHBondContact O-OG1 3.48Å; T201-T205 VanDerWaalsContact O-OG1 3.07Å; F202-T205 WeakPolarHBondContact CA-OG1 3.46Å; F202-T205 PolarHBondContact O-N 3.01Å; F202-T205 PolarHBondContact O-OG1 3.4Å; F202-T205 VanDerWaalsContact O-OG1 3.12Å
206L84.1Confident82.8Confident93 Ų9372.1 Ų72.149%0.48735%0.345SS..Iπ-helixtrans-84.3-37.5-174.2-61.2176.8000113.1F202 P210F202-L206 HydrophobicContact CD1-CD1 3.96Å; F202-L206 HydrophobicContact CD1-CG 4.41Å; F202-L206 VanDerWaalsContact O-CB 3.3Å; F202-L206 WeakPolarHBondContact O-CB 3.3Å; F202-L206 WeakPolarHBondContact O-CG 3.46Å; F202-L206 PolarHBondContact O-N 2.81Å; L206-P210 WeakPolarHBondContact O-CG 3.37Å
207W77.9Confident81.4Confident144 Ų14475.4 Ų75.455%0.54535%0.35SS..Iπ-helixtrans-111.2-45.9-170.9-59.588.4000113.2Y203 R211Y203-W207 HydrophobicContact CD2-CB 4.26Å; Y203-W207 HydrophobicContact CD2-CG 4.38Å; Y203-W207 HydrophobicContact CE2-CB 4.17Å; Y203-W207 WeakPolarHBondContact O-CA 3.25Å; Y203-W207 VanDerWaalsContact O-CB 3.29Å; Y203-W207 WeakPolarHBondContact O-CB 3.28Å; Y203-W207 PolarHBondContact O-N 3.39Å; W207-R211 VanDerWaalsContact O-CB 3.3Å; W207-R211 WeakPolarHBondContact O-CB 3.46Å; W207-R211 WeakPolarHBondContact O-CD 3.48Å; W207-R211 WeakPolarHBondContact O-CG 3.49Å; W207-R211 PolarHBondContact O-N 2.87Å
208A74.9Confident80.1Confident16 Ų1684.8 Ų84.813%0.13239%0.385CS..Iπ-helixtrans-73.3-41.9-173.400000113.3Y203 Q204 R211 R212Y203-A208 PolarHBondContact O-N 3.28Å; Y203-A208 VanDerWaalsContact O-N 3.16Å; Q204-A208 HydrophobicContact CB-CB 4.38Å; Q204-A208 HydrophobicContact CG-CB 4.49Å; Q204-A208 PolarHBondContact O-N 2.85Å; A208-R211 PolarHBondContact O-N 3.46Å; A208-R212 WeakPolarHBondContact O-CB 3.44Å; A208-R212 WeakPolarHBondContact O-CG 3.4Å; A208-R212 PolarHBondContact O-N 3.36Å
209R72.1Confident78.8Confident109 Ų10990 Ų9041%0.41142%0.417SS..Hα-helixtrans-62.7-50.2179.8-78.8-178.3-179.6-173.4-0.6112.8Q204 R211 R212 A213Q204-R209 PolarHBondContact O-N 2.84Å; R209-R211 VanDerWaalsContact C-N 3.34Å; R209-R211 PolarHBondContact O-N 2.89Å; R209-R212 PolarHBondContact O-N 3.4Å; R209-A213 WeakPolarHBondContact O-CB 3.41Å; R209-A213 PolarHBondContact O-N 2.81Å
210P74.6Confident77.1Confident51 Ų5190.2 Ų90.233%0.33142%0.424SS..Hα-helixtrans-65.1-36.5177.4-24.236.6000112.9L206 A213 R214L206-P210 WeakPolarHBondContact O-CG 3.37Å; P210-A213 PolarHBondContact O-N 3.41Å; P210-R214 WeakPolarHBondContact O-CB 3.3Å; P210-R214 WeakPolarHBondContact O-CG 3.34Å; P210-R214 PolarHBondContact O-N 3.48Å
211R74.3Confident75.2Confident137 Ų13790.3 Ų90.352%0.51744%0.44SS..Hα-helixtrans-63-46.5176.4-76.5177.5178.1-176.80.9111.7W207 A208 R209 R214 Q215W207-R211 VanDerWaalsContact O-CB 3.3Å; W207-R211 WeakPolarHBondContact O-CB 3.46Å; W207-R211 WeakPolarHBondContact O-CD 3.48Å; W207-R211 WeakPolarHBondContact O-CG 3.49Å; W207-R211 PolarHBondContact O-N 2.87Å; A208-R211 PolarHBondContact O-N 3.46Å; R209-R211 VanDerWaalsContact C-N 3.34Å; R209-R211 PolarHBondContact O-N 2.89Å; R211-R214 PolarHBondContact O-N 3.3Å; R211-Q215 WeakPolarHBondContact O-CB 3.5Å; R211-Q215 PolarHBondContact O-N 3.28Å
212R70Confident73.1Confident148 Ų14893 Ų9356%0.55847%0.468SS*.Hα-helixtrans-63.7-42.1176.6-71.7179.2-168.2169.44.6112.2A208 R209 Q215 A216A208-R212 WeakPolarHBondContact O-CB 3.44Å; A208-R212 WeakPolarHBondContact O-CG 3.4Å; A208-R212 PolarHBondContact O-N 3.36Å; R209-R212 PolarHBondContact O-N 3.4Å; R212-Q215 PolarHBondContact O-N 2.99Å; R212-A216 WeakPolarHBondContact O-CB 3.32Å; R212-A216 PolarHBondContact O-N 3.5Å
213A69.8Low71Confident51 Ų5193.8 Ų93.842%0.42149%0.492SS..Hα-helixtrans-62.8-43176.100000112R209 P210 R217R209-A213 WeakPolarHBondContact O-CB 3.41Å; R209-A213 PolarHBondContact O-N 2.81Å; P210-A213 PolarHBondContact O-N 3.41Å; A213-R217 WeakPolarHBondContact O-CB 3.34Å; A213-R217 PolarHBondContact O-N 2.92Å
214R72.9Confident68.9Low173 Ų17391 Ų9165%0.65350%0.503SS*.Hα-helixtrans-64.7-40.5175.1-73173.3-174.9176.42.6112.1P210 R211 R217 R218P210-R214 WeakPolarHBondContact O-CB 3.3Å; P210-R214 WeakPolarHBondContact O-CG 3.34Å; P210-R214 PolarHBondContact O-N 3.48Å; R211-R214 PolarHBondContact O-N 3.3Å; R214-R217 PolarHBondContact O-N 3.32Å; R214-R218 WeakPolarHBondContact O-CG 3.17Å; R214-R218 PolarHBondContact O-N 2.9Å
215Q72.9Confident66.7Low127 Ų12796.3 Ų96.359%0.59354%0.537SS*.Hα-helixtrans-68.9-42179-167171.22.900111.5R211 R212 R217 R218 V219R211-Q215 WeakPolarHBondContact O-CB 3.5Å; R211-Q215 PolarHBondContact O-N 3.28Å; R212-Q215 PolarHBondContact O-N 2.99Å; Q215-R217 VanDerWaalsContact C-N 3.32Å; Q215-R217 PolarHBondContact O-N 2.95Å; Q215-R218 PolarHBondContact O-N 3.4Å; Q215-V219 WeakPolarHBondContact O-CG2 3.41Å; Q215-V219 PolarHBondContact O-N 3.06Å
216A69.7Low64.8Low41 Ų41105 Ų10534%0.33957%0.573SS.*Hα-helixtrans-60.5-41.1172.700000111.9R212 R218 V219 G220 F239R212-A216 WeakPolarHBondContact O-CB 3.32Å; R212-A216 PolarHBondContact O-N 3.5Å; A216-R218 PolarHBondContact O-N 3.39Å; A216-V219 PolarHBondContact O-N 3.31Å; A216-G220 PolarHBondContact O-N 3.35Å; A216-F239 HydrophobicContact CB-CE1 4.49Å; A216-F239 HydrophobicContact CB-CE2 4.07Å; A216-F239 HydrophobicContact CB-CZ 3.68Å
217R68.8Low62.6Low137 Ų137105.7 Ų105.752%0.51759%0.592SS.*Hα-helixtrans-66.4-35.1174.9-164.6176.2-173.6-171.92.7112.9A213 R214 Q215 G221 P237 F239A213-R217 WeakPolarHBondContact O-CB 3.34Å; A213-R217 PolarHBondContact O-N 2.92Å; R214-R217 PolarHBondContact O-N 3.32Å; Q215-R217 VanDerWaalsContact C-N 3.32Å; Q215-R217 PolarHBondContact O-N 2.95Å; R217-G221 PolarHBondContact O-N 3.23Å; R217-P237 PolarHBondContact NH2-O 3.41Å; R217-F239 HydrophobicContact CB-CD2 4.47Å; R217-F239 HydrophobicContact CG-CB 4.23Å
218R69Low60.7Low201 Ų201103 Ų10376%0.75861%0.609SS**Hα-helixtrans-70.6-40.7175.6-76.2178.3179.8-172.4-1.3112.5R214 Q215 A216 G222R214-R218 WeakPolarHBondContact O-CG 3.17Å; R214-R218 PolarHBondContact O-N 2.9Å; Q215-R218 PolarHBondContact O-N 3.4Å; A216-R218 PolarHBondContact O-N 3.39Å; R218-G222 PolarHBondContact O-N 3.46Å; R218-G222 VanDerWaalsContact O-N 3.17Å
219V68.7Low58.7Low112 Ų112105.4 Ų105.468%0.67964%0.636SS**Hα-helixtrans-72-40.2177.7176.10000110.8Q215 A216 G221 G222Q215-V219 WeakPolarHBondContact O-CG2 3.41Å; Q215-V219 PolarHBondContact O-N 3.06Å; A216-V219 PolarHBondContact O-N 3.31Å; V219-G221 VanDerWaalsContact C-N 3.35Å; V219-G221 PolarHBondContact O-N 3.04Å; V219-G222 PolarHBondContact O-N 2.98Å
220G59Low57.4Low64 Ų64107 Ų10766%0.6666%0.66SS**Hα-helixtrans-69.1-27.9173.900000114.2A216A216-G220 PolarHBondContact O-N 3.35Å
221G55.2Low55.7Low63 Ų63108.6 Ų108.665%0.64969%0.686SS**Hα-helixtrans-85.4-9.6175.200000115R217 V219R217-G221 PolarHBondContact O-N 3.23Å; V219-G221 VanDerWaalsContact C-N 3.35Å; V219-G221 PolarHBondContact O-N 3.04Å
222G47.2Very low53.8Low58 Ų58105.9 Ų105.960%0.59870%0.7SS**SBendtrans-90.8-6.6-177.700000115.1R218 V219R218-G222 PolarHBondContact O-N 3.46Å; R218-G222 VanDerWaalsContact O-N 3.17Å; V219-G222 PolarHBondContact O-N 2.98Å
223G46.9Very low52.3Low72 Ų72107.3 Ų107.374%0.74272%0.718SS**SBendtrans-89.42.9-17800000115.7
224G46.5Very low50.6Low73 Ų73108.4 Ų108.475%0.75373%0.734SS**  trans-106.659.8-176.100000113.7K226G224-K226 PolarHBondContact O-N 2.92Å
225T42.2Very low48.9Very low130 Ų130106.8 Ų106.880%0.79874%0.744SS**  trans-77.5101.4168.841.10000111
226K45.3Very low47.1Very low206 Ų206111.9 Ų111.990%0.89676%0.757SS**  trans59.2101.3145.6-64.5-176.6175.5179.20119.1G224G224-K226 PolarHBondContact O-N 2.92Å
227A37.6Very low45.6Very low106 Ų106114.7 Ų114.788%0.87677%0.772SS**  trans-123.7120.1136.200000107.5
228G37.8Very low43.8Very low88 Ų88112.2 Ų112.291%0.90778%0.781SS**  trans-77.8138.5-174.600000112.7
229G33Very low42.1Very low67 Ų67107.3 Ų107.369%0.69177%0.765SS**  trans-164.2128165.300000109.1
230P44Very low40.3Very low143 Ų143110.3 Ų110.393%0.92977%0.772SS**  trans-85.8118.3-18032-27.5000109.6
231G39.4Very low39.1Very low84 Ų84111.3 Ų111.387%0.86677%0.765SS**  trans135.9104.8167.800000113.2
232G34.7Very low38.1Very low79 Ų79113.8 Ų113.881%0.81477%0.77SS**  trans165.393.6173.600000112.3G234G232-G234 PolarHBondContact O-N 2.9Å; G232-G234 VanDerWaalsContact O-N 3.13Å
233L37.3Very low37.5Very low178 Ų178112.7 Ų112.793%0.93276%0.755SS**  trans-60.6106.2179.7-169.670.7000111.6T235L233-T235 PolarHBondContact O-N 3.46Å
234G35.1Very low37.4Very low74 Ų74114.5 Ų114.576%0.76375%0.747SS**  trans36.974.4146.500000120G232G232-G234 PolarHBondContact O-N 2.9Å; G232-G234 VanDerWaalsContact O-N 3.13Å
235T36.9Very low37Very low140 Ų140113.7 Ų113.786%0.85973%0.727SS**  trans-95.3115153.524.50000110.1L233L233-T235 PolarHBondContact O-N 3.46Å
236R34.7Very low37Very low233 Ų233111.7 Ų111.788%0.87972%0.715SS**  trans-57.1127.9172.7-71.4170.3155.2164.2-5.4109.7A238R236-A238 PolarHBondContact O-N 3.03Å
237P37.8Very low36.7Very low101 Ų101107 Ų10766%0.65670%0.696SS**  trans-77.3100.5170.428.7-29.6000108.6R217 F239R217-P237 PolarHBondContact NH2-O 3.41Å; P237-F239 PolarHBondContact O-N 3.19Å
238A30.8Very low37Very low84 Ų84106 Ų10669%0.69468%0.676SS**  trans-68.8121.3164.100000108R236 E240R236-A238 PolarHBondContact O-N 3.03Å; A238-E240 VanDerWaalsContact C-N 3.31Å; A238-E240 PolarHBondContact O-N 3.24Å
239F34.4Very low37.4Very low98 Ų98107.5 Ų107.543%0.4368%0.679SS.*  trans-75.988.6169.5176.3-97.7000107A216 R217 P237 V241A216-F239 HydrophobicContact CB-CE1 4.49Å; A216-F239 HydrophobicContact CB-CE2 4.07Å; A216-F239 HydrophobicContact CB-CZ 3.68Å; R217-F239 HydrophobicContact CB-CD2 4.47Å; R217-F239 HydrophobicContact CG-CB 4.23Å; P237-F239 PolarHBondContact O-N 3.19Å; F239-V241 HydrophobicContact CD1-CG2 4.36Å; F239-V241 HydrophobicContact CE1-CG2 3.84Å
240E30.3Very low37.9Very low175 Ų175115.6 Ų115.682%0.81869%0.689SS**  trans-78.6115.9163.7-95.6-179.1156.300108A238A238-E240 VanDerWaalsContact C-N 3.31Å; A238-E240 PolarHBondContact O-N 3.24Å
241V33.8Very low37.8Very low86 Ų86111.6 Ų111.652%0.52167%0.674SS.*  trans-54.2128.9164.5175.20000106.8F239 A243F239-V241 HydrophobicContact CD1-CG2 4.36Å; F239-V241 HydrophobicContact CE1-CG2 3.84Å; V241-A243 PolarHBondContact O-N 3.36Å
242P33.3Very low37.5Very low114 Ų114113.7 Ų113.774%0.7466%0.659SS**  trans-61.5105.9-178.423-30.5000108.3I244P242-I244 PolarHBondContact O-N 2.88Å
243A35.2Very low37.7Very low36 Ų36118.7 Ų118.730%0.29865%0.654SS.*  trans-61.9121.3168.400000105.6V241 V245 L257V241-A243 PolarHBondContact O-N 3.36Å; A243-V245 HydrophobicContact CB-CG2 4.19Å; A243-V245 WeakPolarHBondContact O-CG2 3.44Å; A243-V245 PolarHBondContact O-N 3.48Å; A243-L257 HydrophobicContact CB-CB 4.48Å; A243-L257 HydrophobicContact CB-CD1 3.62Å; A243-L257 HydrophobicContact CB-CG 4.33Å
244I44.7Very low37.7Very low109 Ų109117.6 Ų117.656%0.55964%0.637SS**  trans-70.689.9172.9-55.9161.2000105P242 V246 S255 S256P242-I244 PolarHBondContact O-N 2.88Å; I244-V246 HydrophobicContact CG2-CG2 4.27Å; I244-V246 PolarHBondContact O-N 2.78Å; I244-V246 VanDerWaalsContact O-N 3.14Å; I244-S255 CarbonylContact O-C 3.53Å; I244-S256 VanDerWaalsContact CB-OG 3.28Å; I244-S256 WeakPolarHBondContact CB-OG 3.37Å; I244-S256 PolarHBondContact N-OG 2.95Å; I244-S256 VanDerWaalsContact O-CB 3.28Å; I244-S256 WeakPolarHBondContact O-CB 3.48Å; I244-S256 PolarHBondContact O-N 3Å
245V38.7Very low38Very low56 Ų56115.9 Ų115.934%0.33961%0.613SS.*EExtended strand (participates in β ladder)trans-73.8104.9176.6-170.90000107A243 E247 R253A243-V245 HydrophobicContact CB-CG2 4.19Å; A243-V245 WeakPolarHBondContact O-CG2 3.44Å; A243-V245 PolarHBondContact O-N 3.48Å; V245-E247 HydrophobicContact CG1-CG 3.85Å; V245-R253 HydrophobicContact CG1-CB 3.96Å; V245-R253 HydrophobicContact CG1-CG 3.79Å
246V41.8Very low38.2Very low89 Ų89112.3 Ų112.354%0.53959%0.594SS.*EExtended strand (participates in β ladder)trans-88104.5164.5-176.60000104.9I244 R254I244-V246 HydrophobicContact CG2-CG2 4.27Å; I244-V246 PolarHBondContact O-N 2.78Å; I244-V246 VanDerWaalsContact O-N 3.14Å; V246-R254 PolarHBondContact N-O 2.64Å; V246-R254 PolarHBondContact O-N 3.09Å
247E40.1Very low38.6Very low108 Ų108104.6 Ų104.651%0.50557%0.57SS.*EExtended strand (participates in β ladder)trans-78.4120.8169.8-70.9-175.7160.300107.9V245 R253V245-E247 HydrophobicContact CG1-CG 3.85Å; E247-R253 HydrophobicContact CG-CG 3.83Å; E247-R253 VanDerWaalsContact OE1-CG 3.26Å; E247-R253 WeakPolarHBondContact OE1-CG 3.47Å; E247-R253 IonicContact OE1-CZ 3.68Å; E247-R253 IonicContact OE1-NE 2.85Å; E247-R253 PolarHBondContact OE1-NE 3.42Å; E247-R253 IonicContact OE1-NH2 3.63Å
248D43.2Very low38.3Very low85 Ų85106.5 Ų106.546%0.45558%0.575SS.*  trans-66154.2167.2-90.2-21.5000109.3R250 G251 K252D248-R250 PolarHBondContact O-N 2.89Å; D248-G251 PolarHBondContact O-N 2.87Å; D248-K252 PolarHBondContact N-O 3.24Å
249A45.8Very low38.9Very low118 Ų118106 Ų10698%0.97558%0.577SS**THydrogen-bonded Turntrans-56.3-5.3179.300000115.4
250R43.1Very low39.5Very low237 Ų237104.8 Ų104.889%0.89458%0.581SS**THydrogen-bonded Turntrans-100.69.7175.6-66.7-178.8-112.9-115.7-0.6113.6D248 K252D248-R250 PolarHBondContact O-N 2.89Å; R250-K252 VanDerWaalsContact C-N 3.27Å; R250-K252 PolarHBondContact O-N 3.36Å
251G41.9Very low40.9Very low60 Ų6099.3 Ų99.362%0.61956%0.555SS**SBendtrans74.211.3178.900000114.9D248 R253D248-G251 PolarHBondContact O-N 2.87Å; G251-R253 PolarHBondContact O-N 3.1Å
252K34Very low42.3Very low127 Ų12798 Ų9855%0.55255%0.55SS**  trans-84.6107.6175.1-166.6167.5-175.3168.90109.2D248 R250 R254D248-K252 PolarHBondContact N-O 3.24Å; R250-K252 VanDerWaalsContact C-N 3.27Å; R250-K252 PolarHBondContact O-N 3.36Å; K252-R254 PolarHBondContact O-N 3.11Å
253R39.5Very low44Very low185 Ų18596.2 Ų96.270%0.69855%0.545SS*.EExtended strand (participates in β ladder)trans-64110.1173.6-77.7-175.8171.5-172.10.9110.2V245 E247 G251V245-R253 HydrophobicContact CG1-CB 3.96Å; V245-R253 HydrophobicContact CG1-CG 3.79Å; E247-R253 HydrophobicContact CG-CG 3.83Å; E247-R253 VanDerWaalsContact OE1-CG 3.26Å; E247-R253 WeakPolarHBondContact OE1-CG 3.47Å; E247-R253 IonicContact OE1-CZ 3.68Å; E247-R253 IonicContact OE1-NE 2.85Å; E247-R253 PolarHBondContact OE1-NE 3.42Å; E247-R253 IonicContact OE1-NH2 3.63Å; G251-R253 PolarHBondContact O-N 3.1Å
254R37.6Very low46Very low155 Ų155101.8 Ų101.859%0.58556%0.563SS**EExtended strand (participates in β ladder)trans-109.7103.8161.1-77.7-172.9174.4179.50.2108V246 K252V246-R254 PolarHBondContact N-O 2.64Å; V246-R254 PolarHBondContact O-N 3.09Å; K252-R254 PolarHBondContact O-N 3.11Å
255S39.7Very low47.6Very low37 Ų3798.8 Ų98.826%0.25955%0.549SS..EExtended strand (participates in β ladder)trans-71.1135.8171.687.30000110I244 L257 D258I244-S255 CarbonylContact O-C 3.53Å; S255-L257 PolarHBondContact O-N 3.38Å; S255-D258 VanDerWaalsContact O-CB 3.3Å; S255-D258 WeakPolarHBondContact O-CB 3.29Å; S255-D258 PolarHBondContact O-N 2.66Å
256S42.2Very low49.7Very low66 Ų6696.5 Ų96.546%0.46254%0.536SS..THydrogen-bonded Turntrans-62.9-5.5177.181.20000113.3I244 D258I244-S256 VanDerWaalsContact CB-OG 3.28Å; I244-S256 WeakPolarHBondContact CB-OG 3.37Å; I244-S256 PolarHBondContact N-OG 2.95Å; I244-S256 VanDerWaalsContact O-CB 3.28Å; I244-S256 WeakPolarHBondContact O-CB 3.48Å; I244-S256 PolarHBondContact O-N 3Å; S256-D258 VanDerWaalsContact C-N 3.35Å
257L43.6Very low51.6Low70 Ų7095.8 Ų95.837%0.36653%0.529SS..THydrogen-bonded Turntrans-82.9-14174.8-86.5169.3000112.6A243 S255 G259 S260A243-L257 HydrophobicContact CB-CB 4.48Å; A243-L257 HydrophobicContact CB-CD1 3.62Å; A243-L257 HydrophobicContact CB-CG 4.33Å; S255-L257 PolarHBondContact O-N 3.38Å; L257-G259 PolarHBondContact O-N 3.11Å; L257-S260 PolarHBondContact O-N 2.64Å; L257-S260 VanDerWaalsContact O-N 3.07Å; L257-S260 PolarHBondContact O-OG 2.97Å
258D31Very low53.9Low142 Ų14293.4 Ų93.476%0.75952%0.518SS*.THydrogen-bonded Turntrans-74.86.6-177.3-14116.6000113.8S255 S256S255-D258 VanDerWaalsContact O-CB 3.3Å; S255-D258 WeakPolarHBondContact O-CB 3.29Å; S255-D258 PolarHBondContact O-N 2.66Å; S256-D258 VanDerWaalsContact C-N 3.35Å
259G43.5Very low56Low73 Ų7389.4 Ų89.475%0.75350%0.497SS*.THydrogen-bonded Turntrans-126.44170.700000114.1L257 E261L257-G259 PolarHBondContact O-N 3.11Å; G259-E261 PolarHBondContact O-N 3.37Å
260S47.6Very low58.1Low73 Ų7383.9 Ų83.951%0.5145%0.45SS..SBendtrans-73.9123.9172.268.20000108.3L257 S262L257-S260 PolarHBondContact O-N 2.64Å; L257-S260 VanDerWaalsContact O-N 3.07Å; L257-S260 PolarHBondContact O-OG 2.97Å; S260-S262 PolarHBondContact O-N 3.39Å
261E58.7Low60.4Low59 Ų5976 Ų7628%0.27643%0.426SS..PPolyproline II helixtrans-48.5123.9171.4-77.9-173.915100108.5R115 G259 A263 S266 R329R115-E261 IonicContact NH1-OE2 3.68Å; G259-E261 PolarHBondContact O-N 3.37Å; E261-A263 PolarHBondContact O-N 3.43Å; E261-S266 PolarHBondContact OE2-OG 3.05Å; E261-S266 VanDerWaalsContact OE2-OG 3.14Å; E261-R329 IonicContact OE1-CZ 3.01Å; E261-R329 IonicContact OE1-NH1 2.81Å; E261-R329 PolarHBondContact OE1-NH1 3.38Å; E261-R329 IonicContact OE1-NH2 3.87Å
262S64.2Low62.8Low59 Ų5974 Ų7441%0.41340%0.401SS..PPolyproline II helixtrans-50140.9177.2800000109.5S260 K264 T265 S266S260-S262 PolarHBondContact O-N 3.39Å; S262-K264 PolarHBondContact O-N 3.44Å; S262-T265 PolarHBondContact N-OG1 2.92Å; S262-T265 PolarHBondContact O-N 2.87Å; S262-T265 PolarHBondContact O-OG1 3.31Å; S262-T265 WeakPolarHBondContact OG-CB 3.45Å; S262-T265 VanDerWaalsContact OG-CG2 3.24Å; S262-T265 WeakPolarHBondContact OG-CG2 3.25Å; S262-T265 PolarHBondContact OG-N 3.41Å; S262-T265 PolarHBondContact OG-OG1 2.96Å; S262-S266 PolarHBondContact O-N 3.31Å
263A68.6Low65.7Low77 Ų7768.1 Ų68.164%0.63638%0.376SS*.Hα-helixtrans-55.1-32-177.900000112E261 L267E261-A263 PolarHBondContact O-N 3.43Å; A263-L267 WeakPolarHBondContact O-CB 3.21Å; A263-L267 PolarHBondContact O-N 3.22Å
264K77.1Confident68.2Low152 Ų15259.5 Ų59.566%0.66134%0.344SS*.Hα-helixtrans-65.6-51.7175-170.3-179.6179.1-172.70112.1S262 S266 L267 Q268S262-K264 PolarHBondContact O-N 3.44Å; K264-S266 VanDerWaalsContact C-N 3.34Å; K264-S266 PolarHBondContact O-N 2.92Å; K264-L267 PolarHBondContact O-N 3.43Å; K264-Q268 WeakPolarHBondContact O-CG 3.37Å; K264-Q268 PolarHBondContact O-N 3.36Å
265T78.9Confident71Confident46 Ų4653.8 Ų53.828%0.28233%0.33SS..Hα-helixtrans-66.5-36.8179.4550000112.1S262 L267 Q268 V269S262-T265 PolarHBondContact N-OG1 2.92Å; S262-T265 PolarHBondContact O-N 2.87Å; S262-T265 PolarHBondContact O-OG1 3.31Å; S262-T265 WeakPolarHBondContact OG-CB 3.45Å; S262-T265 VanDerWaalsContact OG-CG2 3.24Å; S262-T265 WeakPolarHBondContact OG-CG2 3.25Å; S262-T265 PolarHBondContact OG-N 3.41Å; S262-T265 PolarHBondContact OG-OG1 2.96Å; T265-L267 VanDerWaalsContact C-N 3.35Å; T265-L267 PolarHBondContact O-N 2.92Å; T265-Q268 PolarHBondContact O-N 2.89Å; T265-V269 WeakPolarHBondContact O-CG2 3.31Å; T265-V269 PolarHBondContact O-N 3.43Å
266S81.3Confident73.6Confident8 Ų852 Ų526%0.05632%0.317CS..Hα-helixtrans-64.9-39.4175.3-147.60000111.5R115 E261 S262 K264 T270R115-S266 PolarHBondContact NH2-O 3.27Å; R115-S266 PolarHBondContact NH2-OG 3.16Å; E261-S266 PolarHBondContact OE2-OG 3.05Å; E261-S266 VanDerWaalsContact OE2-OG 3.14Å; S262-S266 PolarHBondContact O-N 3.31Å; K264-S266 VanDerWaalsContact C-N 3.34Å; K264-S266 PolarHBondContact O-N 2.92Å; S266-T270 PolarHBondContact O-N 2.92Å; S266-T270 PolarHBondContact O-OG1 3.4Å
267L83Confident76.1Confident75 Ų7548.9 Ų48.939%0.39330%0.295SS..Hα-helixtrans-69-42.5176.1-167.6145.1000111.8A263 K264 T265 V269 T270 N271A263-L267 WeakPolarHBondContact O-CB 3.21Å; A263-L267 PolarHBondContact O-N 3.22Å; K264-L267 PolarHBondContact O-N 3.43Å; T265-L267 VanDerWaalsContact C-N 3.35Å; T265-L267 PolarHBondContact O-N 2.92Å; L267-V269 VanDerWaalsContact C-N 3.33Å; L267-V269 PolarHBondContact O-N 3.47Å; L267-T270 WeakPolarHBondContact O-CB 3.32Å; L267-T270 PolarHBondContact O-N 3.2Å; L267-T270 VanDerWaalsContact O-N 3.12Å; L267-N271 WeakPolarHBondContact CD2-ND2 3.32Å; L267-N271 PolarHBondContact O-N 3.08Å; L267-N271 PolarHBondContact O-OD1 3.03Å
268Q87.9Confident78.6Confident57 Ų5750.3 Ų50.327%0.26630%0.299SS..Hα-helixtrans-54.3-48172.8-75.9173.3-31.700111.7K264 T265 T270 N271 L272K264-Q268 WeakPolarHBondContact O-CG 3.37Å; K264-Q268 PolarHBondContact O-N 3.36Å; T265-Q268 PolarHBondContact O-N 2.89Å; Q268-T270 VanDerWaalsContact C-N 3.34Å; Q268-T270 PolarHBondContact O-N 3.14Å; Q268-N271 PolarHBondContact O-N 2.91Å; Q268-L272 WeakPolarHBondContact O-CB 3.49Å; Q268-L272 PolarHBondContact O-N 3Å
269V87.5Confident81.6Confident2 Ų246.9 Ų46.91%0.01228%0.28CS..Hα-helixtrans-66.1-35.3177.81740000112L48 T265 L267 L272 V273L48-V269 HydrophobicContact CD2-CG1 3.52Å; T265-V269 WeakPolarHBondContact O-CG2 3.31Å; T265-V269 PolarHBondContact O-N 3.43Å; L267-V269 VanDerWaalsContact C-N 3.33Å; L267-V269 PolarHBondContact O-N 3.47Å; V269-L272 WeakPolarHBondContact O-CB 3.47Å; V269-L272 PolarHBondContact O-N 3.26Å; V269-V273 WeakPolarHBondContact O-CG2 3.06Å; V269-V273 PolarHBondContact O-N 3Å
270T90.1Very high84.1Confident1 Ų143.5 Ų43.51%0.00625%0.245CC..Hα-helixtrans-65.2-44.5175.1-46.80000111.1R115 S266 L267 Q268 L272 V273 S274R115-T270 HydrophobicContact CG-CG2 4.3Å; R115-T270 PolarHBondContact NE-OG1 2.95Å; R115-T270 PolarHBondContact NH2-OG1 3.27Å; S266-T270 PolarHBondContact O-N 2.92Å; S266-T270 PolarHBondContact O-OG1 3.4Å; L267-T270 WeakPolarHBondContact O-CB 3.32Å; L267-T270 PolarHBondContact O-N 3.2Å; L267-T270 VanDerWaalsContact O-N 3.12Å; Q268-T270 VanDerWaalsContact C-N 3.34Å; Q268-T270 PolarHBondContact O-N 3.14Å; T270-L272 VanDerWaalsContact C-N 3.31Å; T270-L272 PolarHBondContact O-N 2.89Å; T270-V273 PolarHBondContact O-N 3.07Å; T270-S274 WeakPolarHBondContact O-CB 3.39Å; T270-S274 PolarHBondContact O-N 3.28Å; T270-S274 PolarHBondContact O-OG 3.3Å
271N91.2Very high86.3Confident73 Ų7340.6 Ų40.639%0.3922%0.223SC..Hα-helixtrans-63.8-40.2177.9-72.53.6000111L267 Q268 S274 A275L267-N271 WeakPolarHBondContact CD2-ND2 3.32Å; L267-N271 PolarHBondContact O-N 3.08Å; L267-N271 PolarHBondContact O-OD1 3.03Å; Q268-N271 PolarHBondContact O-N 2.91Å; N271-S274 PolarHBondContact O-N 2.93Å; N271-A275 WeakPolarHBondContact O-CB 3.22Å; N271-A275 PolarHBondContact O-N 3.4Å
272L92.2Very high88Confident18 Ų1841.2 Ų41.29%0.09423%0.234CC..Hα-helixtrans-58.3-55.6174.2178.670.1000111.8Q268 V269 T270 S274 A275 I276 F323 I324 C327 Y330Q268-L272 WeakPolarHBondContact O-CB 3.49Å; Q268-L272 PolarHBondContact O-N 3Å; V269-L272 WeakPolarHBondContact O-CB 3.47Å; V269-L272 PolarHBondContact O-N 3.26Å; T270-L272 VanDerWaalsContact C-N 3.31Å; T270-L272 PolarHBondContact O-N 2.89Å; L272-S274 PolarHBondContact O-N 3.45Å; L272-A275 PolarHBondContact O-N 3.48Å; L272-I276 HydrophobicContact CD1-CD1 4.48Å; L272-I276 HydrophobicContact CG-CD1 4.2Å; L272-I276 WeakPolarHBondContact O-CG1 3.4Å; L272-I276 PolarHBondContact O-N 3.37Å; L272-F323 HydrophobicContact CD1-CB 3.63Å; L272-F323 WeakPolarHBondContact CD1-O 3.21Å; L272-I324 HydrophobicContact CD2-CD1 4.34Å; L272-C327 HydrophobicContact CD2-CB 4.05Å; L272-Y330 HydrophobicContact CD2-CD2 4.15Å; L272-Y330 HydrophobicContact CD2-CE2 3.88Å
273V93.6Very high89.2Confident3 Ų341.1 Ų41.12%0.01823%0.229CC..Hα-helixtrans-58.6-41.5179.1171.80000110.6L48 L111 R115 V269 T270 I276 V277L48-V273 HydrophobicContact CD1-CG2 4.14Å; L111-V273 HydrophobicContact CB-CG1 4.28Å; R115-V273 HydrophobicContact CB-CG1 4.23Å; V269-V273 WeakPolarHBondContact O-CG2 3.06Å; V269-V273 PolarHBondContact O-N 3Å; T270-V273 PolarHBondContact O-N 3.07Å; V273-I276 PolarHBondContact O-N 3.32Å; V273-V277 HydrophobicContact CG1-CG2 4.45Å; V273-V277 WeakPolarHBondContact O-CG2 3.3Å; V273-V277 PolarHBondContact O-N 3.26Å
274S93.7Very high90.2Very high4 Ų437.9 Ų37.93%0.02820%0.201CC..Hα-helixtrans-65.8-42.5178.9-550000112.3F202 T270 N271 L272 I276 V277 F278F202-S274 VanDerWaalsContact CE2-CB 3.42Å; F202-S274 WeakPolarHBondContact CE2-OG 3.49Å; F202-S274 WeakPolarHBondContact CZ-OG 3.35Å; T270-S274 WeakPolarHBondContact O-CB 3.39Å; T270-S274 PolarHBondContact O-N 3.28Å; T270-S274 PolarHBondContact O-OG 3.3Å; N271-S274 PolarHBondContact O-N 2.93Å; L272-S274 PolarHBondContact O-N 3.45Å; S274-I276 VanDerWaalsContact C-N 3.33Å; S274-I276 PolarHBondContact O-N 2.8Å; S274-V277 PolarHBondContact O-N 2.88Å; S274-F278 WeakPolarHBondContact O-CD2 3.31Å; S274-F278 PolarHBondContact O-N 2.89Å
275A94.8Very high90.9Very high34 Ų3430.9 Ų30.928%0.28117%0.172SC..Hα-helixtrans-61.2-42.8176.200000111.4N271 L272 V277 L279N271-A275 WeakPolarHBondContact O-CB 3.22Å; N271-A275 PolarHBondContact O-N 3.4Å; L272-A275 PolarHBondContact O-N 3.48Å; A275-V277 PolarHBondContact O-N 2.91Å; A275-L279 VanDerWaalsContact O-CB 3.24Å; A275-L279 WeakPolarHBondContact O-CB 3.14Å; A275-L279 WeakPolarHBondContact O-CG 3.22Å; A275-L279 PolarHBondContact O-N 3Å
276I94.9Very high91.5Very high0 Ų032.1 Ų32.10%018%0.18CC..Hα-helixtrans-56.1-51.7174-67.9165000110L52 L55 V108 L272 V273 S274 Y280 L320 F323L52-I276 HydrophobicContact CD2-CD1 4.09Å; L55-I276 HydrophobicContact CD2-CG2 4.25Å; V108-I276 HydrophobicContact CG2-CG2 4.19Å; L272-I276 HydrophobicContact CD1-CD1 4.48Å; L272-I276 HydrophobicContact CG-CD1 4.2Å; L272-I276 WeakPolarHBondContact O-CG1 3.4Å; L272-I276 PolarHBondContact O-N 3.37Å; V273-I276 PolarHBondContact O-N 3.32Å; S274-I276 VanDerWaalsContact C-N 3.33Å; S274-I276 PolarHBondContact O-N 2.8Å; I276-Y280 HydrophobicContact CG2-CD1 4.4Å; I276-Y280 HydrophobicContact CG2-CD2 4.07Å; I276-Y280 HydrophobicContact CG2-CE1 4.49Å; I276-Y280 HydrophobicContact CG2-CE2 4.18Å; I276-Y280 HydrophobicContact CG2-CG 4.21Å; I276-Y280 WeakPolarHBondContact O-CB 3.25Å; I276-Y280 WeakPolarHBondContact O-CD1 3.43Å; I276-Y280 VanDerWaalsContact O-CG 3.26Å; I276-Y280 PolarHBondContact O-N 3.47Å; I276-L320 HydrophobicContact CD1-CD1 4.26Å; I276-F323 HydrophobicContact CG1-CB 4.41Å; I276-F323 HydrophobicContact CG1-CD2 3.56Å; I276-F323 HydrophobicContact CG1-CE2 4.11Å; I276-F323 HydrophobicContact CG1-CG 4.23Å
277V95.8Very high92Very high0 Ų033.4 Ų33.40%019%0.188CC..Hα-helixtrans-59.7-55.6-178.3176.30000111.2V108 S112 L195 V198 V273 S274 A275 L279 Y280 D281V108-V277 HydrophobicContact CG1-CB 4.03Å; V108-V277 HydrophobicContact CG1-CG1 4.29Å; V108-V277 HydrophobicContact CG1-CG2 3.57Å; S112-V277 WeakPolarHBondContact OG-CG2 3.35Å; L195-V277 HydrophobicContact CD2-CG1 4.24Å; V198-V277 HydrophobicContact CG2-CB 4.03Å; V198-V277 HydrophobicContact CG2-CG1 4.01Å; V198-V277 HydrophobicContact CG2-CG2 3.87Å; V273-V277 HydrophobicContact CG1-CG2 4.45Å; V273-V277 WeakPolarHBondContact O-CG2 3.3Å; V273-V277 PolarHBondContact O-N 3.26Å; S274-V277 PolarHBondContact O-N 2.88Å; A275-V277 PolarHBondContact O-N 2.91Å; V277-L279 PolarHBondContact O-N 3.42Å; V277-Y280 PolarHBondContact O-N 2.94Å; V277-D281 WeakPolarHBondContact CG1-OD2 3.33Å; V277-D281 VanDerWaalsContact O-CB 3.25Å; V277-D281 WeakPolarHBondContact O-CB 3.46Å; V277-D281 PolarHBondContact O-N 3.38Å
278F95Very high92.4Very high100 Ų10030.3 Ų30.344%0.43917%0.172SC..Hα-helixtrans-60.8-44.9-177.7-80.8-68.6000112.4L195 V198 S274 S282L195-F278 HydrophobicContact CD2-CD1 3.83Å; L195-F278 HydrophobicContact CD2-CE1 3.58Å; L195-F278 HydrophobicContact CD2-CZ 4.2Å; V198-F278 HydrophobicContact CG1-CE2 3.69Å; V198-F278 HydrophobicContact CG1-CZ 4.26Å; S274-F278 WeakPolarHBondContact O-CD2 3.31Å; S274-F278 PolarHBondContact O-N 2.89Å; F278-S282 WeakPolarHBondContact O-CB 3.2Å; F278-S282 PolarHBondContact O-N 2.8Å; F278-S282 PolarHBondContact O-OG 2.71Å
279L95.2Very high92.5Very high70 Ų7029 Ų2937%0.36617%0.166SC..Hα-helixtrans-73.4-36.3-176.8-70.2165.6000111.5A275 V277 L283 F323A275-L279 VanDerWaalsContact O-CB 3.24Å; A275-L279 WeakPolarHBondContact O-CB 3.14Å; A275-L279 WeakPolarHBondContact O-CG 3.22Å; A275-L279 PolarHBondContact O-N 3Å; V277-L279 PolarHBondContact O-N 3.42Å; L279-L283 HydrophobicContact CB-CD1 4.45Å; L279-L283 WeakPolarHBondContact O-CB 3.36Å; L279-L283 WeakPolarHBondContact O-CD1 3.21Å; L279-L283 WeakPolarHBondContact O-CG 3.44Å; L279-L283 PolarHBondContact O-N 3.47Å; L279-F323 HydrophobicContact CB-CZ 3.99Å; L279-F323 HydrophobicContact CD1-CE1 3.45Å; L279-F323 VanDerWaalsContact CD1-CE1 3.45Å; L279-F323 HydrophobicContact CD1-CE2 4.38Å; L279-F323 HydrophobicContact CD1-CZ 3.22Å; L279-F323 HydrophobicContact CG-CZ 4.19Å
280Y95.4Very high92.6Very high3 Ų332 Ų321%0.01218%0.184CC..Hα-helixtrans-72.3-44.3179-77.223.7000111L55 H59 T104 V108 I276 V277 S282 L283 T284 G285 Q316 L319 L320 F323L55-Y280 HydrophobicContact CD1-CE2 4.23Å; L55-Y280 HydrophobicContact CD2-CE2 3.99Å; L55-Y280 HydrophobicContact CG-CE2 4.37Å; H59-Y280 AromaticContact CE1-CE2 3.62Å; H59-Y280 AromaticContact CE1-CZ 3.98Å; H59-Y280 AromaticContact NE2-CE2 3.3Å; H59-Y280 VanDerWaalsContact NE2-CE2 3.3Å; H59-Y280 WeakPolarHBondContact NE2-CE2 3.43Å; H59-Y280 AromaticContact NE2-CZ 3.42Å; H59-Y280 PolarHBondContact NE2-OH 3.48Å; T104-Y280 HydrophobicContact CG2-CD2 4.07Å; T104-Y280 HydrophobicContact CG2-CE2 4.29Å; V108-Y280 HydrophobicContact CG2-CD2 3.57Å; V108-Y280 HydrophobicContact CG2-CE2 4.32Å; V108-Y280 HydrophobicContact CG2-CG 4.37Å; I276-Y280 HydrophobicContact CG2-CD1 4.4Å; I276-Y280 HydrophobicContact CG2-CD2 4.07Å; I276-Y280 HydrophobicContact CG2-CE1 4.49Å; I276-Y280 HydrophobicContact CG2-CE2 4.18Å; I276-Y280 HydrophobicContact CG2-CG 4.21Å; I276-Y280 WeakPolarHBondContact O-CB 3.25Å; I276-Y280 WeakPolarHBondContact O-CD1 3.43Å; I276-Y280 VanDerWaalsContact O-CG 3.26Å; I276-Y280 PolarHBondContact O-N 3.47Å; V277-Y280 PolarHBondContact O-N 2.94Å; Y280-S282 VanDerWaalsContact C-N 3.3Å; Y280-S282 PolarHBondContact O-N 2.62Å; Y280-L283 PolarHBondContact O-N 2.91Å; Y280-T284 PolarHBondContact O-N 3.28Å; Y280-T284 PolarHBondContact O-OG1 3.01Å; Y280-T284 VanDerWaalsContact O-OG1 3.04Å; Y280-G285 PolarHBondContact O-N 2.91Å; Y280-Q316 HydrophobicContact CD1-CG 3.9Å; Y280-Q316 HydrophobicContact CD2-CG 3.99Å; Y280-Q316 HydrophobicContact CE1-CG 3.78Å; Y280-Q316 HydrophobicContact CE2-CG 3.86Å; Y280-Q316 HydrophobicContact CG-CG 3.99Å; Y280-Q316 VanDerWaalsContact CG-NE2 3.26Å; Y280-Q316 PolarHBondContact OH-O 3.42Å; Y280-L319 HydrophobicContact CE1-CB 4.13Å; Y280-L320 WeakPolarHBondContact OH-CB 3.47Å; Y280-F323 HydrophobicContact CD1-CE2 4.33Å; Y280-F323 HydrophobicContact CE1-CD2 4.47Å; Y280-F323 AromaticContact CE1-CE2 3.79Å; Y280-F323 HydrophobicContact CE1-CE2 3.79Å
281D94.1Very high92.4Very high11 Ų1132.8 Ų32.86%0.05919%0.189CC..Iπ-helixtrans-63-40.3177.1-66.9-14.5000110.6I191 V277 G285 V286I191-D281 HydrophobicContact CG1-CB 4.34Å; I191-D281 HydrophobicContact CG2-CB 4.08Å; V277-D281 WeakPolarHBondContact CG1-OD2 3.33Å; V277-D281 VanDerWaalsContact O-CB 3.25Å; V277-D281 WeakPolarHBondContact O-CB 3.46Å; V277-D281 PolarHBondContact O-N 3.38Å; D281-G285 CarbonylContact O-C 3.29Å; D281-G285 WeakPolarHBondContact O-CA 3.48Å; D281-G285 PolarHBondContact O-N 3.33Å; D281-V286 WeakPolarHBondContact O-CG2 3.42Å; D281-V286 PolarHBondContact O-N 3Å
282S92.9Very high92.1Very high73 Ų7329.4 Ų29.451%0.5117%0.171SC..Iπ-helixtrans-74.3-39-180-54.90000113.2F278 Y280 P287F278-S282 WeakPolarHBondContact O-CB 3.2Å; F278-S282 PolarHBondContact O-N 2.8Å; F278-S282 PolarHBondContact O-OG 2.71Å; Y280-S282 VanDerWaalsContact C-N 3.3Å; Y280-S282 PolarHBondContact O-N 2.62Å; S282-P287 WeakPolarHBondContact O-CD 3.5Å
283L90.3Very high91.8Very high56 Ų5634.6 Ų34.629%0.29319%0.193SC..Iπ-helixtrans-83.1-36.2-175.4-71.4167.8000112.5L279 Y280 P287 C312 L319L279-L283 HydrophobicContact CB-CD1 4.45Å; L279-L283 WeakPolarHBondContact O-CB 3.36Å; L279-L283 WeakPolarHBondContact O-CD1 3.21Å; L279-L283 WeakPolarHBondContact O-CG 3.44Å; L279-L283 PolarHBondContact O-N 3.47Å; Y280-L283 PolarHBondContact O-N 2.91Å; L283-P287 VanDerWaalsContact O-CG 3.26Å; L283-P287 WeakPolarHBondContact O-CG 3.3Å; L283-C312 WeakPolarHBondContact O-CB 3.15Å; L283-C312 PolarHBondContact O-SG 3.07Å; L283-L319 HydrophobicContact CD1-CD1 3.21Å
284T90.1Very high91.3Very high10 Ų1039.2 Ų39.26%0.06121%0.213CC..Iπ-helixtrans-123.5-41.3-176.456.50000113.7Y280 I288 C312 Q316Y280-T284 PolarHBondContact O-N 3.28Å; Y280-T284 PolarHBondContact O-OG1 3.01Å; Y280-T284 VanDerWaalsContact O-OG1 3.04Å; T284-I288 VanDerWaalsContact O-CB 3.26Å; T284-I288 WeakPolarHBondContact O-CB 3.38Å; T284-I288 VanDerWaalsContact O-CD1 3.31Å; T284-I288 WeakPolarHBondContact O-CD1 3.14Å; T284-I288 WeakPolarHBondContact O-CG1 3.26Å; T284-I288 PolarHBondContact O-N 3.3Å; T284-C312 HydrophobicContact CG2-CB 4.04Å; T284-C312 WeakPolarHBondContact CG2-O 3.36Å; T284-Q316 HydrophobicContact CG2-CB 3.79Å; T284-Q316 HydrophobicContact CG2-CG 4.27Å; T284-Q316 PolarHBondContact OG1-NE2 2.61Å; T284-Q316 VanDerWaalsContact OG1-NE2 3.16Å; T284-Q316 PolarHBondContact OG1-OE1 3.41Å
285G91.3Very high90.6Very high5 Ų539.1 Ų39.15%0.05221%0.212CC..Iπ-helixtrans-56.4-56178.400000112.9Y280 D281 I288 L289Y280-G285 PolarHBondContact O-N 2.91Å; D281-G285 CarbonylContact O-C 3.29Å; D281-G285 WeakPolarHBondContact O-CA 3.48Å; D281-G285 PolarHBondContact O-N 3.33Å; G285-I288 PolarHBondContact O-N 3.45Å; G285-L289 WeakPolarHBondContact O-CB 3.44Å; G285-L289 WeakPolarHBondContact O-CG 3.1Å; G285-L289 PolarHBondContact O-N 3.05Å
286V91.9Very high89.8Confident72 Ų7239.8 Ų39.844%0.43621%0.211SC..Hα-helixtrans-65.7-49.5-178.1170.60000111.9D281 I288 L289 V290D281-V286 WeakPolarHBondContact O-CG2 3.42Å; D281-V286 PolarHBondContact O-N 3Å; V286-I288 VanDerWaalsContact C-N 3.33Å; V286-I288 PolarHBondContact O-N 2.99Å; V286-L289 PolarHBondContact O-N 3.08Å; V286-V290 HydrophobicContact CG1-CG2 4.07Å; V286-V290 WeakPolarHBondContact O-CB 3.29Å; V286-V290 VanDerWaalsContact O-CG2 3.24Å; V286-V290 WeakPolarHBondContact O-CG2 3.5Å; V286-V290 PolarHBondContact O-N 3.34Å
287P91.6Very high89.2Confident34 Ų3447.3 Ų47.322%0.22124%0.244CC..Hα-helixtrans-59.2-41.7177.3-31.942.1000113.1S282 L283 V290 V291 V309S282-P287 WeakPolarHBondContact O-CD 3.5Å; L283-P287 VanDerWaalsContact O-CG 3.26Å; L283-P287 WeakPolarHBondContact O-CG 3.3Å; P287-V290 PolarHBondContact O-N 2.66Å; P287-V291 WeakPolarHBondContact O-CB 3.2Å; P287-V291 VanDerWaalsContact O-CG2 3.25Å; P287-V291 WeakPolarHBondContact O-CG2 3.4Å; P287-V291 PolarHBondContact O-N 2.98Å; P287-V309 HydrophobicContact CB-CG2 4.32Å
288I90.1Very high88Confident11 Ų1150.8 Ų50.86%0.05627%0.268CS..Hα-helixtrans-61.2-48.9175.7-67.9167.1000110.1A101 F183 L187 T284 G285 V286 V290 V291 S292 V309A101-I288 HydrophobicContact CB-CD1 4.29Å; F183-I288 HydrophobicContact CE1-CG2 3.66Å; F183-I288 HydrophobicContact CZ-CG2 4Å; L187-I288 HydrophobicContact CD2-CB 3.94Å; L187-I288 HydrophobicContact CD2-CG2 3.49Å; L187-I288 VanDerWaalsContact CD2-CG2 3.49Å; T284-I288 VanDerWaalsContact O-CB 3.26Å; T284-I288 WeakPolarHBondContact O-CB 3.38Å; T284-I288 VanDerWaalsContact O-CD1 3.31Å; T284-I288 WeakPolarHBondContact O-CD1 3.14Å; T284-I288 WeakPolarHBondContact O-CG1 3.26Å; T284-I288 PolarHBondContact O-N 3.3Å; G285-I288 PolarHBondContact O-N 3.45Å; V286-I288 VanDerWaalsContact C-N 3.33Å; V286-I288 PolarHBondContact O-N 2.99Å; I288-V290 VanDerWaalsContact C-N 3.33Å; I288-V290 PolarHBondContact O-N 2.87Å; I288-V291 PolarHBondContact O-N 2.83Å; I288-S292 WeakPolarHBondContact O-CB 3.1Å; I288-S292 PolarHBondContact O-N 3.34Å; I288-S292 PolarHBondContact O-OG 2.91Å; I288-V309 HydrophobicContact CG1-CG1 3.78Å
289L90.7Very high86.7Confident30 Ų3050.2 Ų50.216%0.15727%0.27CS..Hα-helixtrans-59.5-42.3177.9-76.3177.3000112.9L187 L188 I191 G285 V286 S292 F293L187-L289 HydrophobicContact CB-CD2 4.14Å; L187-L289 HydrophobicContact CD2-CD2 3.86Å; L187-L289 HydrophobicContact CD2-CG 3.83Å; L187-L289 HydrophobicContact CG-CD2 4.17Å; L187-L289 HydrophobicContact CG-CG 4.23Å; L188-L289 HydrophobicContact CB-CD1 4.12Å; L188-L289 HydrophobicContact CB-CD2 4.23Å; L188-L289 HydrophobicContact CD1-CD1 3.91Å; I191-L289 HydrophobicContact CD1-CD1 3.6Å; I191-L289 HydrophobicContact CD1-CG 4.41Å; G285-L289 WeakPolarHBondContact O-CB 3.44Å; G285-L289 WeakPolarHBondContact O-CG 3.1Å; G285-L289 PolarHBondContact O-N 3.05Å; V286-L289 PolarHBondContact O-N 3.08Å; L289-S292 PolarHBondContact O-N 3.48Å; L289-F293 VanDerWaalsContact O-CB 3.32Å; L289-F293 WeakPolarHBondContact O-CB 3.15Å; L289-F293 PolarHBondContact O-N 3.13Å
290V89.3Confident85.1Confident63 Ų6350.5 Ų50.538%0.38228%0.278SS..Hα-helixtrans-62.6-49.2178169.40000109.8V286 P287 I288 S292 F293 F294V286-V290 HydrophobicContact CG1-CG2 4.07Å; V286-V290 WeakPolarHBondContact O-CB 3.29Å; V286-V290 VanDerWaalsContact O-CG2 3.24Å; V286-V290 WeakPolarHBondContact O-CG2 3.5Å; V286-V290 PolarHBondContact O-N 3.34Å; P287-V290 PolarHBondContact O-N 2.66Å; I288-V290 VanDerWaalsContact C-N 3.33Å; I288-V290 PolarHBondContact O-N 2.87Å; V290-S292 PolarHBondContact O-N 3.44Å; V290-F293 PolarHBondContact O-N 3.38Å; V290-F294 HydrophobicContact CG1-CD2 3.57Å; V290-F294 HydrophobicContact CG1-CE2 3.65Å; V290-F294 WeakPolarHBondContact O-CB 3.28Å; V290-F294 VanDerWaalsContact O-CD2 3.25Å; V290-F294 WeakPolarHBondContact O-CD2 3.29Å; V290-F294 PolarHBondContact O-N 3.13Å
291V86.3Confident83.5Confident18 Ų1850.9 Ų50.911%0.10928%0.281CS..Hα-helixtrans-61.7-44.4177.2174.20000110.9P287 I288 F293 F294 S295 M305 V309P287-V291 WeakPolarHBondContact O-CB 3.2Å; P287-V291 VanDerWaalsContact O-CG2 3.25Å; P287-V291 WeakPolarHBondContact O-CG2 3.4Å; P287-V291 PolarHBondContact O-N 2.98Å; I288-V291 PolarHBondContact O-N 2.83Å; V291-F293 PolarHBondContact O-N 3.22Å; V291-F294 PolarHBondContact O-N 2.9Å; V291-S295 VanDerWaalsContact O-CB 3.25Å; V291-S295 WeakPolarHBondContact O-CB 3.2Å; V291-S295 PolarHBondContact O-N 3.42Å; V291-S295 PolarHBondContact O-OG 3.43Å; V291-M305 HydrophobicContact CB-CE 4.04Å; V291-M305 HydrophobicContact CG1-CB 4.46Å; V291-M305 HydrophobicContact CG1-CE 4.18Å; V291-M305 HydrophobicContact CG2-CB 3.95Å; V291-M305 HydrophobicContact CG2-CE 3.63Å; V291-M305 HydrophobicContact CG2-CG 4.49Å; V291-V309 HydrophobicContact CB-CG2 4.33Å; V291-V309 HydrophobicContact CG2-CG2 3.65Å
292S85.6Confident82.4Confident3 Ų352.4 Ų52.42%0.02129%0.291CS..Hα-helixtrans-59.6-45.7176.3-620000111.6I288 L289 V290 S295 L296I288-S292 WeakPolarHBondContact O-CB 3.1Å; I288-S292 PolarHBondContact O-N 3.34Å; I288-S292 PolarHBondContact O-OG 2.91Å; L289-S292 PolarHBondContact O-N 3.48Å; V290-S292 PolarHBondContact O-N 3.44Å; S292-S295 PolarHBondContact O-N 3.43Å; S292-L296 WeakPolarHBondContact O-CB 3.42Å; S292-L296 WeakPolarHBondContact O-CG 3.35Å; S292-L296 PolarHBondContact O-N 3.41Å
293F84.6Confident81.5Confident127 Ų12754.1 Ų54.156%0.55730%0.301SS*.Hα-helixtrans-65.2-47178.8-179.2-97.6000112.7L289 V290 V291 S295 L296 K297L289-F293 VanDerWaalsContact O-CB 3.32Å; L289-F293 WeakPolarHBondContact O-CB 3.15Å; L289-F293 PolarHBondContact O-N 3.13Å; V290-F293 PolarHBondContact O-N 3.38Å; V291-F293 PolarHBondContact O-N 3.22Å; F293-S295 VanDerWaalsContact C-N 3.28Å; F293-S295 PolarHBondContact O-N 2.88Å; F293-L296 PolarHBondContact O-N 3.29Å; F293-K297 HydrophobicContact CE1-CD 4.34Å; F293-K297 WeakPolarHBondContact O-CB 3.31Å; F293-K297 PolarHBondContact O-N 3.33Å
294F83.8Confident80.9Confident100 Ų10059.8 Ų59.844%0.43932%0.318SS..Hα-helixtrans-60.7-40.8176.1-89-70000111.7V290 V291 K297 S298 M305V290-F294 HydrophobicContact CG1-CD2 3.57Å; V290-F294 HydrophobicContact CG1-CE2 3.65Å; V290-F294 WeakPolarHBondContact O-CB 3.28Å; V290-F294 VanDerWaalsContact O-CD2 3.25Å; V290-F294 WeakPolarHBondContact O-CD2 3.29Å; V290-F294 PolarHBondContact O-N 3.13Å; V291-F294 PolarHBondContact O-N 2.9Å; F294-K297 PolarHBondContact O-N 2.96Å; F294-S298 WeakPolarHBondContact O-CB 3.45Å; F294-S298 PolarHBondContact O-N 2.96Å; F294-S298 PolarHBondContact O-OG 3.25Å; F294-M305 HydrophobicContact CB-CE 3.84Å; F294-M305 HydrophobicContact CD2-CE 4.17Å; F294-M305 HydrophobicContact CG-CE 4.23Å
295S79.3Confident80.5Confident1 Ų160 Ų601%0.00732%0.319CS..Hα-helixtrans-61.8-46.7176.3-57.60000111.2I171 S173 V291 S292 F293 K297 D299 A301I171-S295 WeakPolarHBondContact CG2-OG 3.23Å; S173-S295 WeakPolarHBondContact CB-O 3.41Å; S173-S295 PolarHBondContact OG-O 3.34Å; S173-S295 VanDerWaalsContact OG-O 3.06Å; V291-S295 VanDerWaalsContact O-CB 3.25Å; V291-S295 WeakPolarHBondContact O-CB 3.2Å; V291-S295 PolarHBondContact O-N 3.42Å; V291-S295 PolarHBondContact O-OG 3.43Å; S292-S295 PolarHBondContact O-N 3.43Å; F293-S295 VanDerWaalsContact C-N 3.28Å; F293-S295 PolarHBondContact O-N 2.88Å; S295-K297 VanDerWaalsContact C-N 3.28Å; S295-K297 PolarHBondContact O-N 2.94Å; S295-D299 WeakPolarHBondContact O-CA 3.2Å; S295-D299 PolarHBondContact O-N 3.05Å; S295-A301 WeakPolarHBondContact OG-CB 3.26Å
296L78.1Confident79.9Confident49 Ų4960.6 Ų60.626%0.25732%0.321SS..Hα-helixtrans-63.6-32.9179.2-71.3167.3000112.6L177 S292 F293L177-L296 HydrophobicContact CD1-CD2 3.83Å; S292-L296 WeakPolarHBondContact O-CB 3.42Å; S292-L296 WeakPolarHBondContact O-CG 3.35Å; S292-L296 PolarHBondContact O-N 3.41Å; F293-L296 PolarHBondContact O-N 3.29Å
297K80.9Confident79.5Confident158 Ų15860 Ų6069%0.68732%0.315SS*.Hα-helixtrans-82.5-40.7-178.4-170.2-17317576.10113.2F293 F294 S295F293-K297 HydrophobicContact CE1-CD 4.34Å; F293-K297 WeakPolarHBondContact O-CB 3.31Å; F293-K297 PolarHBondContact O-N 3.33Å; F294-K297 PolarHBondContact O-N 2.96Å; S295-K297 VanDerWaalsContact C-N 3.28Å; S295-K297 PolarHBondContact O-N 2.94Å
298S71.7Confident79.3Confident73 Ų7360.4 Ų60.451%0.5132%0.322SS..Hα-helixtrans-106.6-3.5-168.3-57.60000113.9F294 S300F294-S298 WeakPolarHBondContact O-CB 3.45Å; F294-S298 PolarHBondContact O-N 2.96Å; F294-S298 PolarHBondContact O-OG 3.25Å; S298-S300 PolarHBondContact O-N 3.03Å
299D67.9Low79.2Confident88 Ų8860.1 Ų60.147%0.47132%0.321SS..SBendtrans47.126.2-173.6-161.230.4000114.4S173 K174 S295S173-D299 PolarHBondContact OG-OD1 3.39Å; K174-D299 WeakPolarHBondContact CD-OD1 3.39Å; K174-D299 WeakPolarHBondContact CE-O 3.29Å; K174-D299 WeakPolarHBondContact CE-OD1 3.27Å; K174-D299 PolarHBondContact NZ-O 3.39Å; K174-D299 IonicContact NZ-OD1 2.74Å; K174-D299 PolarHBondContact NZ-OD1 3.44Å; K174-D299 VanDerWaalsContact NZ-OD1 3.07Å; K174-D299 IonicContact NZ-OD2 2.63Å; K174-D299 PolarHBondContact NZ-OD2 3.48Å; S295-D299 WeakPolarHBondContact O-CA 3.2Å; S295-D299 PolarHBondContact O-N 3.05Å
300S61.8Low79.1Confident76 Ų7658.8 Ų58.853%0.53131%0.314SS..  trans-154.6129.4-178.4-177.30000108.1S298S298-S300 PolarHBondContact O-N 3.03Å
301A61.7Low79.2Confident10 Ų1059.5 Ų59.58%0.08331%0.31CS..  trans-121.6121.4166.500000108.3I171 S295I171-A301 HydrophobicContact CD1-CB 3.35Å; I171-A301 WeakPolarHBondContact CD1-O 3.05Å; I171-A301 HydrophobicContact CG1-CB 3.6Å; I171-A301 HydrophobicContact CG2-CB 4.15Å; S295-A301 WeakPolarHBondContact OG-CB 3.26Å
302P70.4Confident79.5Confident43 Ų4360.1 Ų60.128%0.27932%0.315SS..  trans-64.9147.2178.827.2-36.8000111.3W304 M305P302-W304 HydrophobicContact CB-CG 4.4Å; P302-W304 VanDerWaalsContact CB-NE1 3.31Å; P302-W304 HydrophobicContact CG-CD2 4.39Å; P302-W304 HydrophobicContact CG-CG 4.48Å; P302-W304 HydrophobicContact CG-CZ2 3.92Å; P302-W304 PolarHBondContact O-N 3.18Å; P302-W304 VanDerWaalsContact O-N 3.08Å; P302-M305 WeakPolarHBondContact CD-SD 3.15Å; P302-M305 HydrophobicContact CG-CG 3.91Å; P302-M305 HydrophobicContact CG-SD 3.49Å; P302-M305 WeakPolarHBondContact CG-SD 3.32Å; P302-M305 WeakPolarHBondContact O-CB 3.39Å; P302-M305 PolarHBondContact O-N 3.37Å
303P74.3Confident79.9Confident109 Ų10960 Ų6071%0.70831%0.314SS*.Hα-helixtrans-56.5-29.5-174.9-27.334.3000115M305 V306 L307P303-M305 VanDerWaalsContact C-N 3.26Å; P303-M305 PolarHBondContact O-N 3.01Å; P303-V306 PolarHBondContact O-N 3.22Å; P303-L307 PolarHBondContact O-N 3.06Å
304W78.5Confident80.3Confident175 Ų17554.1 Ų54.166%0.66329%0.288SS*.Hα-helixtrans-64.8-28.317867.7-102.2000112.9P302 L307 A308P302-W304 HydrophobicContact CB-CG 4.4Å; P302-W304 VanDerWaalsContact CB-NE1 3.31Å; P302-W304 HydrophobicContact CG-CD2 4.39Å; P302-W304 HydrophobicContact CG-CG 4.48Å; P302-W304 HydrophobicContact CG-CZ2 3.92Å; P302-W304 PolarHBondContact O-N 3.18Å; P302-W304 VanDerWaalsContact O-N 3.08Å; W304-L307 PolarHBondContact O-N 3Å; W304-A308 WeakPolarHBondContact O-CB 3.21Å; W304-A308 PolarHBondContact O-N 3.42Å
305M81.6Confident80.8Confident15 Ų1551.3 Ų51.37%0.07428%0.283CS..Hα-helixtrans-69.9-40.9177.3-76.4173.566.700111.3V291 F294 P302 P303 A308 V309V291-M305 HydrophobicContact CB-CE 4.04Å; V291-M305 HydrophobicContact CG1-CB 4.46Å; V291-M305 HydrophobicContact CG1-CE 4.18Å; V291-M305 HydrophobicContact CG2-CB 3.95Å; V291-M305 HydrophobicContact CG2-CE 3.63Å; V291-M305 HydrophobicContact CG2-CG 4.49Å; F294-M305 HydrophobicContact CB-CE 3.84Å; F294-M305 HydrophobicContact CD2-CE 4.17Å; F294-M305 HydrophobicContact CG-CE 4.23Å; P302-M305 WeakPolarHBondContact CD-SD 3.15Å; P302-M305 HydrophobicContact CG-CG 3.91Å; P302-M305 HydrophobicContact CG-SD 3.49Å; P302-M305 WeakPolarHBondContact CG-SD 3.32Å; P302-M305 WeakPolarHBondContact O-CB 3.39Å; P302-M305 PolarHBondContact O-N 3.37Å; P303-M305 VanDerWaalsContact C-N 3.26Å; P303-M305 PolarHBondContact O-N 3.01Å; M305-A308 PolarHBondContact O-N 2.97Å; M305-V309 WeakPolarHBondContact O-CG2 3.06Å; M305-V309 PolarHBondContact O-N 3.22Å
306V78.6Confident81.6Confident17 Ų1751.6 Ų51.610%0.10329%0.285CS..Hα-helixtrans-63.5-45.5174.2176.40000110.1F170 I171 P303 A308 V309 L310F170-V306 HydrophobicContact CB-CG1 4Å; F170-V306 HydrophobicContact CB-CG2 4.39Å; F170-V306 HydrophobicContact CD1-CB 4.2Å; F170-V306 HydrophobicContact CD1-CG1 3.46Å; F170-V306 VanDerWaalsContact CD1-CG1 3.46Å; F170-V306 HydrophobicContact CD1-CG2 3.94Å; F170-V306 HydrophobicContact CE1-CG1 3.99Å; F170-V306 HydrophobicContact CG-CG1 3.87Å; I171-V306 HydrophobicContact CG1-CG2 4.42Å; P303-V306 PolarHBondContact O-N 3.22Å; V306-A308 VanDerWaalsContact C-N 3.32Å; V306-A308 PolarHBondContact O-N 3.42Å; V306-V309 PolarHBondContact O-N 2.83Å; V306-L310 HydrophobicContact CG1-CD1 4.12Å; V306-L310 WeakPolarHBondContact O-CG 3.33Å; V306-L310 PolarHBondContact O-N 2.63Å
307L83.1Confident82.4Confident59 Ų5949.3 Ų49.331%0.30927%0.272SS..Hα-helixtrans-58.3-44.4176.9-171.569.6000111.9W20 P303 W304 L310 W311W20-L307 HydrophobicContact CH2-CD1 3.2Å; W20-L307 HydrophobicContact CZ2-CD1 3.32Å; W20-L307 HydrophobicContact CZ2-CG 4.46Å; W20-L307 HydrophobicContact CZ3-CD1 4.48Å; P303-L307 PolarHBondContact O-N 3.06Å; W304-L307 PolarHBondContact O-N 3Å; L307-L310 PolarHBondContact O-N 3.3Å; L307-W311 VanDerWaalsContact O-CD1 3.28Å; L307-W311 PolarHBondContact O-N 3.08Å
308A86.6Confident83Confident44 Ų4443.9 Ų43.936%0.36425%0.251SS..Hα-helixtrans-61.9-44.6177.300000111.8W304 M305 V306 L310 W311 C312W304-A308 WeakPolarHBondContact O-CB 3.21Å; W304-A308 PolarHBondContact O-N 3.42Å; M305-A308 PolarHBondContact O-N 2.97Å; V306-A308 VanDerWaalsContact C-N 3.32Å; V306-A308 PolarHBondContact O-N 3.42Å; A308-L310 PolarHBondContact O-N 2.98Å; A308-W311 PolarHBondContact O-N 3.27Å; A308-C312 WeakPolarHBondContact O-CB 3.23Å; A308-C312 PolarHBondContact O-N 3.01Å; A308-C312 PolarHBondContact O-SG 3.42Å
309V88.9Confident84.1Confident5 Ų542.4 Ų42.43%0.0324%0.237CC..Hα-helixtrans-62.1-42.3177.5165.20000111.7Y97 F170 P287 I288 V291 M305 V306 C312 S313Y97-V309 WeakPolarHBondContact OH-CG1 3.44Å; F170-V309 HydrophobicContact CE1-CG1 4.19Å; F170-V309 HydrophobicContact CZ-CG1 4.47Å; P287-V309 HydrophobicContact CB-CG2 4.32Å; I288-V309 HydrophobicContact CG1-CG1 3.78Å; V291-V309 HydrophobicContact CB-CG2 4.33Å; V291-V309 HydrophobicContact CG2-CG2 3.65Å; M305-V309 WeakPolarHBondContact O-CG2 3.06Å; M305-V309 PolarHBondContact O-N 3.22Å; V306-V309 PolarHBondContact O-N 2.83Å; V309-C312 WeakPolarHBondContact O-CB 3.33Å; V309-C312 PolarHBondContact O-N 2.94Å; V309-S313 PolarHBondContact O-N 3.2Å; V309-S313 PolarHBondContact O-OG 2.6Å; V309-S313 VanDerWaalsContact O-OG 3.11Å
310L88.8Confident85.2Confident1 Ų138.2 Ų38.21%0.00522%0.215CC..Hα-helixtrans-65.6-42.1177.1-68.4172.4000112.2L67 F70 F93 Y97 F170 V306 L307 A308 C312 S313 M314L67-L310 HydrophobicContact CD2-CB 4.5Å; L67-L310 HydrophobicContact CD2-CD2 4.2Å; F70-L310 HydrophobicContact CD1-CD1 3.86Å; F70-L310 HydrophobicContact CD2-CD1 3.64Å; F70-L310 HydrophobicContact CE1-CD1 3.88Å; F70-L310 HydrophobicContact CE2-CD1 3.62Å; F70-L310 HydrophobicContact CG-CD1 3.75Å; F70-L310 HydrophobicContact CZ-CD1 3.74Å; F93-L310 HydrophobicContact CZ-CD2 4.4Å; Y97-L310 HydrophobicContact CD2-CD2 4.22Å; Y97-L310 HydrophobicContact CE2-CD2 3.92Å; F170-L310 HydrophobicContact CE2-CD2 4.43Å; F170-L310 HydrophobicContact CZ-CD2 4.15Å; V306-L310 HydrophobicContact CG1-CD1 4.12Å; V306-L310 WeakPolarHBondContact O-CG 3.33Å; V306-L310 PolarHBondContact O-N 2.63Å; L307-L310 PolarHBondContact O-N 3.3Å; A308-L310 PolarHBondContact O-N 2.98Å; L310-C312 VanDerWaalsContact C-N 3.34Å; L310-S313 WeakPolarHBondContact O-CB 3.27Å; L310-S313 PolarHBondContact O-N 2.99Å; L310-M314 PolarHBondContact O-N 3.26Å
311W90.9Very high86.6Confident78 Ų7835.7 Ų35.730%0.29520%0.196SC..Hα-helixtrans-63.6-39.5173.1-85.4116000112.6N16 W20 L307 A308 S313 M314 A315N16-W311 HydrophobicContact CB-CZ2 4.5Å; W20-W311 AromaticContact CD1-CD2 3.97Å; W20-W311 AromaticContact CD1-CE2 3.85Å; W20-W311 AromaticContact CD1-CE3 3.76Å; W20-W311 AromaticContact CD1-CH2 3.33Å; W20-W311 AromaticContact CD1-CZ2 3.56Å; W20-W311 AromaticContact CD1-CZ3 3.43Å; W20-W311 VanDerWaalsContact CD1-CZ3 3.43Å; W20-W311 HydrophobicContact CD2-CZ2 4.47Å; W20-W311 AromaticContact CE2-CE2 3.64Å; W20-W311 AromaticContact CE2-CZ2 3.81Å; W20-W311 AromaticContact CE2-NE1 3.79Å; W20-W311 HydrophobicContact CG-CH2 4.26Å; W20-W311 HydrophobicContact CG-CZ2 4.35Å; W20-W311 AromaticContact CZ2-CD1 3.98Å; W20-W311 HydrophobicContact CZ2-CD2 4.49Å; W20-W311 AromaticContact CZ2-CE2 3.94Å; W20-W311 HydrophobicContact CZ2-CZ2 4.4Å; W20-W311 AromaticContact CZ2-NE1 3.58Å; W20-W311 AromaticContact NE1-CD2 3.16Å; W20-W311 AromaticContact NE1-CE2 3.02Å; W20-W311 AromaticContact NE1-CE3 3.41Å; W20-W311 AromaticContact NE1-CG 3.84Å; W20-W311 AromaticContact NE1-CH2 3.43Å; W20-W311 AromaticContact NE1-CZ2 3.18Å; W20-W311 AromaticContact NE1-CZ3 3.54Å; W20-W311 AromaticContact NE1-NE1 3.58Å; L307-W311 VanDerWaalsContact O-CD1 3.28Å; L307-W311 PolarHBondContact O-N 3.08Å; A308-W311 PolarHBondContact O-N 3.27Å; W311-S313 VanDerWaalsContact C-N 3.34Å; W311-M314 HydrophobicContact CE3-CB 4.42Å; W311-M314 PolarHBondContact O-N 3.01Å; W311-A315 PolarHBondContact O-N 3.3Å
312C93.4Very high87.9Confident32 Ų3238.6 Ų38.622%0.21622%0.216CC..Hα-helixtrans-62.5-42.4174.1-71.90000111.7L283 T284 A308 V309 L310 A315 Q316L283-C312 WeakPolarHBondContact O-CB 3.15Å; L283-C312 PolarHBondContact O-SG 3.07Å; T284-C312 HydrophobicContact CG2-CB 4.04Å; T284-C312 WeakPolarHBondContact CG2-O 3.36Å; A308-C312 WeakPolarHBondContact O-CB 3.23Å; A308-C312 PolarHBondContact O-N 3.01Å; A308-C312 PolarHBondContact O-SG 3.42Å; V309-C312 WeakPolarHBondContact O-CB 3.33Å; V309-C312 PolarHBondContact O-N 2.94Å; L310-C312 VanDerWaalsContact C-N 3.34Å; C312-A315 PolarHBondContact O-N 2.96Å; C312-Q316 WeakPolarHBondContact O-CB 2.94Å; C312-Q316 PolarHBondContact O-N 3.49Å
313S93.3Very high88.8Confident1 Ų137.9 Ų37.91%0.00721%0.209CC..Hα-helixtrans-62.2-41172.9-62.70000112.2Y97 V309 L310 W311 Q316 T317Y97-S313 PolarHBondContact OH-OG 2.9Å; V309-S313 PolarHBondContact O-N 3.2Å; V309-S313 PolarHBondContact O-OG 2.6Å; V309-S313 VanDerWaalsContact O-OG 3.11Å; L310-S313 WeakPolarHBondContact O-CB 3.27Å; L310-S313 PolarHBondContact O-N 2.99Å; W311-S313 VanDerWaalsContact C-N 3.34Å; S313-Q316 WeakPolarHBondContact O-CB 3.36Å; S313-Q316 PolarHBondContact O-N 3.27Å; S313-T317 WeakPolarHBondContact O-CG2 3.29Å; S313-T317 PolarHBondContact O-N 3.06Å; S313-T317 VanDerWaalsContact O-N 3.1Å
314M93.5Very high89.5Confident2 Ų233 Ų331%0.0118%0.177CC..Hα-helixtrans-63.6-43.2174.8-176.463.88100112W20 C23 L67 L310 W311 Q316 T317 L318W20-M314 HydrophobicContact CB-CE 4.18Å; W20-M314 HydrophobicContact CG-CE 4.37Å; W20-M314 VanDerWaalsContact O-CE 3.25Å; W20-M314 WeakPolarHBondContact O-CE 3.49Å; C23-M314 HydrophobicContact CB-CE 4.11Å; C23-M314 HydrophobicContact CB-CG 3.81Å; C23-M314 HydrophobicContact CB-SD 3.64Å; L67-M314 HydrophobicContact CB-CE 4.02Å; L67-M314 HydrophobicContact CD1-CB 4.33Å; L67-M314 HydrophobicContact CD1-CE 3.75Å; L67-M314 HydrophobicContact CD1-SD 3.96Å; L67-M314 HydrophobicContact CD2-CE 4.46Å; L67-M314 HydrophobicContact CG-CE 4.29Å; L310-M314 PolarHBondContact O-N 3.26Å; W311-M314 HydrophobicContact CE3-CB 4.42Å; W311-M314 PolarHBondContact O-N 3.01Å; M314-Q316 VanDerWaalsContact C-N 3.3Å; M314-Q316 PolarHBondContact O-N 3.42Å; M314-T317 PolarHBondContact O-N 3.35Å; M314-T317 PolarHBondContact O-OG1 2.98Å; M314-L318 PolarHBondContact O-N 3.46Å
315A94.3Very high89.8Confident41 Ų4130.8 Ų30.834%0.33917%0.168SC..Hα-helixtrans-61.6-4217500000110.9W311 C312 T317 L318 L319W311-A315 PolarHBondContact O-N 3.3Å; C312-A315 PolarHBondContact O-N 2.96Å; A315-T317 PolarHBondContact O-N 2.83Å; A315-L318 PolarHBondContact O-N 3.3Å; A315-L318 VanDerWaalsContact O-N 3.14Å; A315-L319 WeakPolarHBondContact O-CG 3.45Å; A315-L319 PolarHBondContact O-N 3.03Å
316Q94.6Very high89.9Confident8 Ų834.9 Ų34.94%0.03720%0.199CC..Hα-helixtrans-58-44177.6-174.2-176.918.300112.8T104 Y280 T284 C312 S313 M314 L318 L319T104-Q316 VanDerWaalsContact CG2-NE2 3.27Å; Y280-Q316 HydrophobicContact CD1-CG 3.9Å; Y280-Q316 HydrophobicContact CD2-CG 3.99Å; Y280-Q316 HydrophobicContact CE1-CG 3.78Å; Y280-Q316 HydrophobicContact CE2-CG 3.86Å; Y280-Q316 HydrophobicContact CG-CG 3.99Å; Y280-Q316 VanDerWaalsContact CG-NE2 3.26Å; Y280-Q316 PolarHBondContact OH-O 3.42Å; T284-Q316 HydrophobicContact CG2-CB 3.79Å; T284-Q316 HydrophobicContact CG2-CG 4.27Å; T284-Q316 PolarHBondContact OG1-NE2 2.61Å; T284-Q316 VanDerWaalsContact OG1-NE2 3.16Å; T284-Q316 PolarHBondContact OG1-OE1 3.41Å; C312-Q316 WeakPolarHBondContact O-CB 2.94Å; C312-Q316 PolarHBondContact O-N 3.49Å; S313-Q316 WeakPolarHBondContact O-CB 3.36Å; S313-Q316 PolarHBondContact O-N 3.27Å; M314-Q316 VanDerWaalsContact C-N 3.3Å; M314-Q316 PolarHBondContact O-N 3.42Å; Q316-L318 PolarHBondContact O-N 3.44Å; Q316-L319 PolarHBondContact O-N 3.19Å
317T94.9Very high90Very high0 Ų034.5 Ų34.50%020%0.196CC..Hα-helixtrans-65.3-25.7179.560.80000112.7N31 H59 M62 S313 M314 A315N31-T317 PolarHBondContact ND2-O 3.42Å; H59-T317 HydrophobicContact CB-CG2 3.86Å; M62-T317 HydrophobicContact CB-CG2 4.07Å; M62-T317 HydrophobicContact CG-CG2 4.12Å; S313-T317 WeakPolarHBondContact O-CG2 3.29Å; S313-T317 PolarHBondContact O-N 3.06Å; S313-T317 VanDerWaalsContact O-N 3.1Å; M314-T317 PolarHBondContact O-N 3.35Å; M314-T317 PolarHBondContact O-OG1 2.98Å; A315-T317 PolarHBondContact O-N 2.83Å
318L94.4Very high89.6Confident45 Ų4538.4 Ų38.424%0.23621%0.213CC..Hα-helixtrans-86.3-15.3177.9-67.6171000113.8C23 L26 A27 M314 A315 Q316 P321C23-L318 HydrophobicContact CB-CD1 4.29Å; L26-L318 HydrophobicContact CB-CD2 4.33Å; L26-L318 HydrophobicContact CD2-CD2 4.05Å; L26-L318 HydrophobicContact CG-CD2 3.95Å; A27-L318 HydrophobicContact CB-CD2 3.79Å; A27-L318 HydrophobicContact CB-CG 4.31Å; M314-L318 PolarHBondContact O-N 3.46Å; A315-L318 PolarHBondContact O-N 3.3Å; A315-L318 VanDerWaalsContact O-N 3.14Å; Q316-L318 PolarHBondContact O-N 3.44Å; L318-P321 WeakPolarHBondContact O-CD 3.23Å
319L93.7Very high89Confident42 Ų4238.7 Ų38.722%0.2221%0.205CC..Hα-helixtrans-78.7-34.9-178.1-76.9173.7000113.8Y280 L283 A315 Q316 S322 F323Y280-L319 HydrophobicContact CE1-CB 4.13Å; L283-L319 HydrophobicContact CD1-CD1 3.21Å; A315-L319 WeakPolarHBondContact O-CG 3.45Å; A315-L319 PolarHBondContact O-N 3.03Å; Q316-L319 PolarHBondContact O-N 3.19Å; L319-S322 WeakPolarHBondContact O-CB 3.41Å; L319-S322 PolarHBondContact O-N 3.41Å; L319-S322 VanDerWaalsContact O-N 3.13Å; L319-F323 HydrophobicContact CB-CD2 4.33Å; L319-F323 HydrophobicContact CB-CE2 3.71Å; L319-F323 HydrophobicContact CB-CZ 3.88Å; L319-F323 HydrophobicContact CD1-CZ 4.3Å; L319-F323 HydrophobicContact CD2-CZ 4.15Å; L319-F323 HydrophobicContact CG-CZ 4.34Å; L319-F323 VanDerWaalsContact O-CD2 3.3Å; L319-F323 WeakPolarHBondContact O-CD2 3.04Å; L319-F323 WeakPolarHBondContact O-CG 3.09Å; L319-F323 PolarHBondContact O-N 3.17Å
320L91.8Very high88.3Confident0 Ų038.8 Ų38.80%020%0.204CC..Hα-helixtrans-55.1-49.3179.4-169.463.7000112.5I34 L55 A56 I276 Y280 S322 F323 I324I34-L320 HydrophobicContact CD1-CB 4.23Å; I34-L320 HydrophobicContact CD1-CD2 4.21Å; I34-L320 HydrophobicContact CD1-CG 3.9Å; L55-L320 HydrophobicContact CB-CD2 4.26Å; L55-L320 HydrophobicContact CD2-CD1 3.92Å; L55-L320 HydrophobicContact CD2-CD2 4.31Å; L55-L320 HydrophobicContact CG-CD2 4.13Å; A56-L320 HydrophobicContact CB-CD2 3.73Å; I276-L320 HydrophobicContact CD1-CD1 4.26Å; Y280-L320 WeakPolarHBondContact OH-CB 3.47Å; L320-S322 VanDerWaalsContact C-N 3.29Å; L320-S322 PolarHBondContact O-N 3.03Å; L320-F323 PolarHBondContact O-N 2.71Å; L320-I324 HydrophobicContact CD1-CD1 4.4Å; L320-I324 HydrophobicContact CD1-CG1 4.12Å; L320-I324 HydrophobicContact CG-CG1 4.2Å; L320-I324 VanDerWaalsContact O-CG1 3.31Å; L320-I324 WeakPolarHBondContact O-CG1 3.05Å; L320-I324 PolarHBondContact O-N 3.33Å
321P91Very high87.8Confident22 Ų2244.4 Ų44.414%0.14323%0.226CC..Hα-helixtrans-52.5-45.6174.7-19.923.7000113.4A30 I34 L318 F323 I324 W325A30-P321 HydrophobicContact CB-CB 3.93Å; A30-P321 HydrophobicContact CB-CG 3.5Å; I34-P321 HydrophobicContact CD1-CB 3.86Å; I34-P321 HydrophobicContact CD1-CG 3.76Å; I34-P321 VanDerWaalsContact CD1-N 3.31Å; I34-P321 HydrophobicContact CG1-CB 4.37Å; L318-P321 WeakPolarHBondContact O-CD 3.23Å; P321-F323 PolarHBondContact O-N 3Å; P321-I324 PolarHBondContact O-N 3.14Å; P321-W325 WeakPolarHBondContact O-CB 3.1Å; P321-W325 PolarHBondContact O-N 3.29Å
322S89.5Confident87.1Confident72 Ų7240.8 Ų40.850%0.50321%0.213SC..Hα-helixtrans-64.3-41-179.6-52.80000112.3L319 L320 S326L319-S322 WeakPolarHBondContact O-CB 3.41Å; L319-S322 PolarHBondContact O-N 3.41Å; L319-S322 VanDerWaalsContact O-N 3.13Å; L320-S322 VanDerWaalsContact C-N 3.29Å; L320-S322 PolarHBondContact O-N 3.03Å; S322-S326 WeakPolarHBondContact O-CB 3.36Å; S322-S326 PolarHBondContact O-N 3.33Å
323F90Very high86.6Confident27 Ų2744.4 Ų44.412%0.11823%0.23CC..Hα-helixtrans-65-46.5177-64.5-32.5000112.1L272 I276 L279 Y280 L319 L320 P321 W325 S326 C327L272-F323 HydrophobicContact CD1-CB 3.63Å; L272-F323 WeakPolarHBondContact CD1-O 3.21Å; I276-F323 HydrophobicContact CG1-CB 4.41Å; I276-F323 HydrophobicContact CG1-CD2 3.56Å; I276-F323 HydrophobicContact CG1-CE2 4.11Å; I276-F323 HydrophobicContact CG1-CG 4.23Å; L279-F323 HydrophobicContact CB-CZ 3.99Å; L279-F323 HydrophobicContact CD1-CE1 3.45Å; L279-F323 VanDerWaalsContact CD1-CE1 3.45Å; L279-F323 HydrophobicContact CD1-CE2 4.38Å; L279-F323 HydrophobicContact CD1-CZ 3.22Å; L279-F323 HydrophobicContact CG-CZ 4.19Å; Y280-F323 HydrophobicContact CD1-CE2 4.33Å; Y280-F323 HydrophobicContact CE1-CD2 4.47Å; Y280-F323 AromaticContact CE1-CE2 3.79Å; Y280-F323 HydrophobicContact CE1-CE2 3.79Å; L319-F323 HydrophobicContact CB-CD2 4.33Å; L319-F323 HydrophobicContact CB-CE2 3.71Å; L319-F323 HydrophobicContact CB-CZ 3.88Å; L319-F323 HydrophobicContact CD1-CZ 4.3Å; L319-F323 HydrophobicContact CD2-CZ 4.15Å; L319-F323 HydrophobicContact CG-CZ 4.34Å; L319-F323 VanDerWaalsContact O-CD2 3.3Å; L319-F323 WeakPolarHBondContact O-CD2 3.04Å; L319-F323 WeakPolarHBondContact O-CG 3.09Å; L319-F323 PolarHBondContact O-N 3.17Å; L320-F323 PolarHBondContact O-N 2.71Å; P321-F323 PolarHBondContact O-N 3Å; F323-W325 VanDerWaalsContact C-N 3.34Å; F323-W325 PolarHBondContact O-N 3.46Å; F323-S326 WeakPolarHBondContact O-CB 3.37Å; F323-S326 PolarHBondContact O-N 3.49Å; F323-C327 PolarHBondContact O-N 3.06Å
324I87.3Confident86Confident7 Ų749.2 Ų49.24%0.03626%0.259CS..Hα-helixtrans-65.4-40.6179.6-62.9-58.9000110.7I34 L52 L272 L320 P321 S326 C327 Y330I34-I324 HydrophobicContact CD1-CG1 4.3Å; I34-I324 HydrophobicContact CG1-CB 4.46Å; I34-I324 HydrophobicContact CG2-CG1 4.17Å; I34-I324 HydrophobicContact CG2-CG2 4.22Å; L52-I324 HydrophobicContact CD1-CD1 3.94Å; L52-I324 HydrophobicContact CD2-CD1 4.2Å; L272-I324 HydrophobicContact CD2-CD1 4.34Å; L320-I324 HydrophobicContact CD1-CD1 4.4Å; L320-I324 HydrophobicContact CD1-CG1 4.12Å; L320-I324 HydrophobicContact CG-CG1 4.2Å; L320-I324 VanDerWaalsContact O-CG1 3.31Å; L320-I324 WeakPolarHBondContact O-CG1 3.05Å; L320-I324 PolarHBondContact O-N 3.33Å; P321-I324 PolarHBondContact O-N 3.14Å; I324-S326 VanDerWaalsContact C-N 3.33Å; I324-S326 PolarHBondContact O-N 2.82Å; I324-C327 WeakPolarHBondContact O-CB 3.38Å; I324-C327 PolarHBondContact O-N 3.48Å; I324-C327 VanDerWaalsContact O-N 3.12Å; I324-Y330 HydrophobicContact CD1-CD2 4.39Å; I324-Y330 VanDerWaalsContact CG2-CB 3.46Å; I324-Y330 HydrophobicContact CG2-CG 4.26Å
325W85.1Confident85.6Confident128 Ų12857.9 Ų57.949%0.48529%0.291SS..Hα-helixtrans-63.7-36176.6-171.1-97.7000113.4P321 F323 C327 R331P321-W325 WeakPolarHBondContact O-CB 3.1Å; P321-W325 PolarHBondContact O-N 3.29Å; F323-W325 VanDerWaalsContact C-N 3.34Å; F323-W325 PolarHBondContact O-N 3.46Å; W325-C327 PolarHBondContact O-N 3.29Å; W325-R331 HydrophobicContact CD2-CG 4.39Å; W325-R331 HydrophobicContact CE3-CG 4.28Å; W325-R331 HydrophobicContact CH2-CG 4.36Å; W325-R331 HydrophobicContact CZ2-CG 4.48Å; W325-R331 VanDerWaalsContact CZ2-CZ 3.5Å; W325-R331 HydrophobicContact CZ3-CG 4.26Å
326S84Confident85.2Confident102 Ų10258.3 Ų58.371%0.71329%0.29SS*.Hα-helixtrans-65.3-22175.3-173.40000112.8S322 F323 I324S322-S326 WeakPolarHBondContact O-CB 3.36Å; S322-S326 PolarHBondContact O-N 3.33Å; F323-S326 WeakPolarHBondContact O-CB 3.37Å; F323-S326 PolarHBondContact O-N 3.49Å; I324-S326 VanDerWaalsContact C-N 3.33Å; I324-S326 PolarHBondContact O-N 2.82Å
327C80.4Confident84.8Confident8 Ų858.1 Ų58.15%0.05429%0.289CS..SBendtrans-90.8106.5177-166.90000110.7L272 F323 I324 W325 R329 Y330 R331L272-C327 HydrophobicContact CD2-CB 4.05Å; F323-C327 PolarHBondContact O-N 3.06Å; I324-C327 WeakPolarHBondContact O-CB 3.38Å; I324-C327 PolarHBondContact O-N 3.48Å; I324-C327 VanDerWaalsContact O-N 3.12Å; W325-C327 PolarHBondContact O-N 3.29Å; C327-R329 PolarHBondContact O-N 3.46Å; C327-Y330 HydrophobicContact CB-CD2 3.77Å; C327-Y330 HydrophobicContact CB-CE2 4.48Å; C327-Y330 PolarHBondContact O-N 2.94Å; C327-Y330 VanDerWaalsContact SG-CD2 3.59Å; C327-R331 PolarHBondContact O-N 2.96Å
328E75.9Confident84.3Confident141 Ų14166.5 Ų66.566%0.65932%0.321SS*.THydrogen-bonded Turntrans-48.6-32.1178.7-69.6176.8165.200113.5Y330E328-Y330 VanDerWaalsContact C-N 3.32Å; E328-Y330 PolarHBondContact O-N 3.39Å
329R73.4Confident84Confident51 Ų5169 Ų6919%0.19233%0.332CS..THydrogen-bonded Turntrans-58.9-41177.1-179172.8175.5169.3-8.9112.9K41 K46 E49 E261 C327K41-R329 PolarHBondContact NZ-O 2.98Å; K46-R329 VanDerWaalsContact NZ-NH2 3.12Å; E49-R329 IonicContact OE1-CZ 3.67Å; E49-R329 IonicContact OE1-NE 2.67Å; E49-R329 IonicContact OE1-NH2 3.81Å; E49-R329 PolarHBondContact OE1-NH2 2.04Å; E261-R329 IonicContact OE1-CZ 3.01Å; E261-R329 IonicContact OE1-NH1 2.81Å; E261-R329 PolarHBondContact OE1-NH1 3.38Å; E261-R329 IonicContact OE1-NH2 3.87Å; C327-R329 PolarHBondContact O-N 3.46Å
330Y73.3Confident83.5Confident6 Ų670.5 Ų70.52%0.02434%0.338CS..THydrogen-bonded Turntrans-101.4-9.6-172.3-57.2-60.1000113.6I38 E49 L52 L272 I324 C327 E328 A332I38-Y330 HydrophobicContact CG1-CD1 4.48Å; E49-Y330 HydrophobicContact CG-CE1 3.79Å; L52-Y330 HydrophobicContact CD1-CE2 4.33Å; L272-Y330 HydrophobicContact CD2-CD2 4.15Å; L272-Y330 HydrophobicContact CD2-CE2 3.88Å; I324-Y330 HydrophobicContact CD1-CD2 4.39Å; I324-Y330 VanDerWaalsContact CG2-CB 3.46Å; I324-Y330 HydrophobicContact CG2-CG 4.26Å; C327-Y330 HydrophobicContact CB-CD2 3.77Å; C327-Y330 HydrophobicContact CB-CE2 4.48Å; C327-Y330 PolarHBondContact O-N 2.94Å; C327-Y330 VanDerWaalsContact SG-CD2 3.59Å; E328-Y330 VanDerWaalsContact C-N 3.32Å; E328-Y330 PolarHBondContact O-N 3.39Å; Y330-A332 PolarHBondContact O-N 2.92Å
331R78.9Confident83.2Confident119 Ų11972.2 Ų72.245%0.44935%0.349SS..  trans-64.897.6173.2-174.2179.1-178.9136.7-3110.8K41 W325 C327K41-R331 WeakPolarHBondContact CE-O 3.5Å; K41-R331 PolarHBondContact NZ-O 3.25Å; W325-R331 HydrophobicContact CD2-CG 4.39Å; W325-R331 HydrophobicContact CE3-CG 4.28Å; W325-R331 HydrophobicContact CH2-CG 4.36Å; W325-R331 HydrophobicContact CZ2-CG 4.48Å; W325-R331 VanDerWaalsContact CZ2-CZ 3.5Å; W325-R331 HydrophobicContact CZ3-CG 4.26Å; C327-R331 PolarHBondContact O-N 2.96Å
332A77Confident83Confident3 Ų373.9 Ų73.93%0.02536%0.359CS..  trans-90.9141.2176.400000111.6K41 Y330 V337K41-A332 HydrophobicContact CD-CB 4.4Å; K41-A332 VanDerWaalsContact CE-CA 3.47Å; K41-A332 HydrophobicContact CG-CB 4.25Å; Y330-A332 PolarHBondContact O-N 2.92Å; A332-V337 HydrophobicContact CB-CG2 3.81Å
333D81.6Confident82.8Confident108 Ų10872.3 Ų72.358%0.57835%0.35SS*.  trans-78.2142.8173.6-64.9-39000109.2R335 T336 V337D333-R335 PolarHBondContact O-N 2.67Å; D333-R335 VanDerWaalsContact O-N 3.13Å; D333-T336 HydrophobicContact CB-CG2 4.26Å; D333-T336 PolarHBondContact N-OG1 3.48Å; D333-T336 PolarHBondContact O-N 2.91Å; D333-T336 PolarHBondContact O-OG1 2.96Å; D333-V337 PolarHBondContact O-N 3.31Å
334V82.5Confident82.4Confident102 Ų10275.5 Ų75.562%0.61837%0.367SS*.Hα-helixtrans-53.5-39.5-178.9177.50000111.5W33 T336 V337 W338W33-V334 HydrophobicContact CH2-CB 4.08Å; W33-V334 HydrophobicContact CH2-CG1 4.03Å; W33-V334 HydrophobicContact CH2-CG2 3.8Å; W33-V334 HydrophobicContact CZ2-CB 4.44Å; W33-V334 HydrophobicContact CZ2-CG2 3.85Å; V334-T336 PolarHBondContact O-N 2.68Å; V334-V337 PolarHBondContact O-N 2.9Å; V334-W338 WeakPolarHBondContact O-CB 3.35Å; V334-W338 PolarHBondContact O-N 3.22Å
335R85.1Confident82.2Confident183 Ų18380.5 Ų80.569%0.69139%0.392SS*.Hα-helixtrans-60.4-42.4176.9-175.6175.7177.8167.75.2112.8D333 W338 E339D333-R335 PolarHBondContact O-N 2.67Å; D333-R335 VanDerWaalsContact O-N 3.13Å; R335-W338 PolarHBondContact O-N 3.4Å; R335-E339 HydrophobicContact CG-CG 4.38Å; R335-E339 WeakPolarHBondContact CG-OE1 3.35Å; R335-E339 IonicContact CZ-OE1 3.63Å; R335-E339 IonicContact NE-OE1 3.57Å; R335-E339 PolarHBondContact NE-OE1 3.04Å; R335-E339 IonicContact NH2-OE1 3.07Å; R335-E339 WeakPolarHBondContact O-CB 2.97Å; R335-E339 VanDerWaalsContact O-CG 3.31Å; R335-E339 WeakPolarHBondContact O-CG 3.35Å; R335-E339 PolarHBondContact O-N 2.94Å
336T84.6Confident82Confident50 Ų5077.8 Ų77.831%0.30739%0.392SS..Hα-helixtrans-68-38.2-179.8600000112.2D333 V334 Q340D333-T336 HydrophobicContact CB-CG2 4.26Å; D333-T336 PolarHBondContact N-OG1 3.48Å; D333-T336 PolarHBondContact O-N 2.91Å; D333-T336 PolarHBondContact O-OG1 2.96Å; V334-T336 PolarHBondContact O-N 2.68Å; T336-Q340 WeakPolarHBondContact O-CB 3.41Å; T336-Q340 WeakPolarHBondContact O-CG 3.33Å; T336-Q340 PolarHBondContact O-N 3.38Å
337V85.4Confident81.3Confident4 Ų480.2 Ų80.22%0.02439%0.392CS..Hα-helixtrans-67.2-45.4175179.30000110W33 L36 A40 A332 D333 V334 Q340 C341W33-V337 HydrophobicContact CH2-CB 4.1Å; W33-V337 HydrophobicContact CH2-CG1 4.24Å; W33-V337 HydrophobicContact CH2-CG2 4.23Å; W33-V337 HydrophobicContact CZ2-CG2 4.14Å; W33-V337 HydrophobicContact CZ3-CG1 4.28Å; L36-V337 HydrophobicContact CB-CG1 3.83Å; A40-V337 HydrophobicContact CB-CG2 4.16Å; A332-V337 HydrophobicContact CB-CG2 3.81Å; D333-V337 PolarHBondContact O-N 3.31Å; V334-V337 PolarHBondContact O-N 2.9Å; V337-Q340 PolarHBondContact O-N 3.31Å; V337-C341 WeakPolarHBondContact O-CB 3.37Å; V337-C341 PolarHBondContact O-N 3.45Å; V337-C341 PolarHBondContact O-SG 2.96Å; V337-C341 VanDerWaalsContact O-SG 3.32Å
338W86Confident80.2Confident177 Ų17787.7 Ų87.767%0.6743%0.427SS*.Hα-helixtrans-58.4-51.4177.4178.9-95.7000112.4V334 R335 Q340 C341 V342V334-W338 WeakPolarHBondContact O-CB 3.35Å; V334-W338 PolarHBondContact O-N 3.22Å; R335-W338 PolarHBondContact O-N 3.4Å; W338-Q340 VanDerWaalsContact C-N 3.27Å; W338-Q340 PolarHBondContact O-N 2.91Å; W338-C341 PolarHBondContact O-N 2.74Å; W338-V342 HydrophobicContact CD2-CG2 4.29Å; W338-V342 HydrophobicContact CZ2-CG2 4.11Å; W338-V342 WeakPolarHBondContact O-CG2 3.38Å; W338-V342 PolarHBondContact O-N 2.88Å
339E87.7Confident79.2Confident97 Ų9788 Ų8845%0.45343%0.433SS..Hα-helixtrans-59.7-38.2179.4-73.6172.4-176.100111.8R335 A343R335-E339 HydrophobicContact CG-CG 4.38Å; R335-E339 WeakPolarHBondContact CG-OE1 3.35Å; R335-E339 IonicContact CZ-OE1 3.63Å; R335-E339 IonicContact NE-OE1 3.57Å; R335-E339 PolarHBondContact NE-OE1 3.04Å; R335-E339 IonicContact NH2-OE1 3.07Å; R335-E339 WeakPolarHBondContact O-CB 2.97Å; R335-E339 VanDerWaalsContact O-CG 3.31Å; R335-E339 WeakPolarHBondContact O-CG 3.35Å; R335-E339 PolarHBondContact O-N 2.94Å; E339-A343 WeakPolarHBondContact O-CB 3.43Å; E339-A343 PolarHBondContact O-N 3.26Å
340Q83.6Confident78.2Confident74 Ų7488.3 Ų88.335%0.34645%0.452SS..Hα-helixtrans-70.6-42.9175.4-76.4-70.1-41.100112.8A40 T336 V337 W338 V342 A343 I344A40-Q340 HydrophobicContact CB-CB 3.84Å; A40-Q340 HydrophobicContact CB-CG 3.86Å; T336-Q340 WeakPolarHBondContact O-CB 3.41Å; T336-Q340 WeakPolarHBondContact O-CG 3.33Å; T336-Q340 PolarHBondContact O-N 3.38Å; V337-Q340 PolarHBondContact O-N 3.31Å; W338-Q340 VanDerWaalsContact C-N 3.27Å; W338-Q340 PolarHBondContact O-N 2.91Å; Q340-V342 VanDerWaalsContact C-N 3.33Å; Q340-V342 PolarHBondContact O-N 3.35Å; Q340-A343 PolarHBondContact O-N 2.89Å; Q340-I344 VanDerWaalsContact O-CG1 3.32Å; Q340-I344 WeakPolarHBondContact O-CG1 3.46Å; Q340-I344 PolarHBondContact O-N 3.48Å
341C84.1Confident77.1Confident35 Ų3595.6 Ų95.624%0.23649%0.491CS..Hα-helixtrans-61.4-43175.3-730000111.4V337 W338 I344 M345V337-C341 WeakPolarHBondContact O-CB 3.37Å; V337-C341 PolarHBondContact O-N 3.45Å; V337-C341 PolarHBondContact O-SG 2.96Å; V337-C341 VanDerWaalsContact O-SG 3.32Å; W338-C341 PolarHBondContact O-N 2.74Å; C341-I344 PolarHBondContact O-N 3.28Å; C341-M345 WeakPolarHBondContact O-CG 3.48Å; C341-M345 PolarHBondContact O-N 3.31Å
342V87.4Confident75.7Confident58 Ų5897 Ų9735%0.35251%0.507SS..Hα-helixtrans-63-42.3175.4171.90000111W338 Q340 I344 M345 S346W338-V342 HydrophobicContact CD2-CG2 4.29Å; W338-V342 HydrophobicContact CZ2-CG2 4.11Å; W338-V342 WeakPolarHBondContact O-CG2 3.38Å; W338-V342 PolarHBondContact O-N 2.88Å; Q340-V342 VanDerWaalsContact C-N 3.33Å; Q340-V342 PolarHBondContact O-N 3.35Å; V342-I344 PolarHBondContact O-N 3.26Å; V342-M345 HydrophobicContact CG2-CE 4.2Å; V342-M345 PolarHBondContact O-N 2.81Å; V342-S346 WeakPolarHBondContact O-CB 3.35Å; V342-S346 PolarHBondContact O-N 3.48Å; V342-S346 PolarHBondContact O-OG 2.97Å; V342-S346 VanDerWaalsContact O-OG 3.12Å
343A85.6Confident74Confident38 Ų38104.4 Ų104.431%0.31455%0.547SS..Hα-helixtrans-60.3-44.6176.900000112.4E339 Q340 S346 E347E339-A343 WeakPolarHBondContact O-CB 3.43Å; E339-A343 PolarHBondContact O-N 3.26Å; Q340-A343 PolarHBondContact O-N 2.89Å; A343-S346 WeakPolarHBondContact CA-OG 3.35Å; A343-S346 PolarHBondContact O-N 3.42Å; A343-S346 PolarHBondContact O-OG 2.87Å; A343-E347 PolarHBondContact O-N 3.34Å
344I82.4Confident71.7Confident95 Ų95103.2 Ų103.249%0.48756%0.56SS.*Hα-helixtrans-62.8-45.9177.1-66.2164.1000110.7Q340 C341 V342 S346 E347Q340-I344 VanDerWaalsContact O-CG1 3.32Å; Q340-I344 WeakPolarHBondContact O-CG1 3.46Å; Q340-I344 PolarHBondContact O-N 3.48Å; C341-I344 PolarHBondContact O-N 3.28Å; V342-I344 PolarHBondContact O-N 3.26Å; I344-S346 VanDerWaalsContact C-N 3.28Å; I344-S346 PolarHBondContact O-N 3.04Å; I344-E347 PolarHBondContact O-N 3.46Å
345M81.5Confident69.4Low112 Ų112102 Ų10255%0.55257%0.568SS**Hα-helixtrans-64.4-33.8177.8-68.7-176.3-57.300112.1C341 V342C341-M345 WeakPolarHBondContact O-CG 3.48Å; C341-M345 PolarHBondContact O-N 3.31Å; V342-M345 HydrophobicContact CG2-CE 4.2Å; V342-M345 PolarHBondContact O-N 2.81Å
346S81.1Confident66.8Low71 Ų7199.1 Ų99.150%0.49758%0.575SS.*Hα-helixtrans-78.2-20.517863.30000114.6V342 A343 I344V342-S346 WeakPolarHBondContact O-CB 3.35Å; V342-S346 PolarHBondContact O-N 3.48Å; V342-S346 PolarHBondContact O-OG 2.97Å; V342-S346 VanDerWaalsContact O-OG 3.12Å; A343-S346 WeakPolarHBondContact CA-OG 3.35Å; A343-S346 PolarHBondContact O-N 3.42Å; A343-S346 PolarHBondContact O-OG 2.87Å; I344-S346 VanDerWaalsContact C-N 3.28Å; I344-S346 PolarHBondContact O-N 3.04Å
347E68.8Low64.4Low153 Ų153104 Ų10472%0.71560%0.599SS**Hα-helixtrans-75-25.6174.4-84-175.8146.900111.9A343 I344A343-E347 PolarHBondContact O-N 3.34Å; I344-E347 PolarHBondContact O-N 3.46Å
348E57.9Low61.8Low165 Ų165111.3 Ų111.377%0.77164%0.637SS**Hα-helixtrans-75.1-21.9176-95.1-176.6116.500113.7
349D54.6Low59.3Low148 Ų148112.8 Ų112.879%0.79165%0.645SS**THydrogen-bonded Turntrans-91.14-176.4-72-29.3000113.9
350G52.5Low56.6Low57 Ų57112.6 Ų112.659%0.58866%0.66SS**SBendtrans-105.1-2.5-169.900000117.3
351D50.3Low54Low158 Ų158118.4 Ų118.485%0.84569%0.687SS**  trans-109.445.2-173.3-81.9-16.4000112.9
352D49.1Very low51.5Low148 Ų148119.8 Ų119.879%0.79171%0.707SS**SBendtrans-140.6134.2160.4-131.4-4.8000111.3
353D41.4Very low48.6Very low160 Ų160129.2 Ų129.286%0.85674%0.736SS**SBendtrans81.6106.8175.6-63.3-31.4000120.8
354G34.2Very low46Very low83 Ų83133.5 Ų133.586%0.85676%0.758SS**  trans131.1100.113800000117
355G34.9Very low43.4Very low76 Ų76134.2 Ų134.278%0.78477%0.771SS**  trans-73.3174.2170.600000115.4
356C30.2Very low40.8Very low123 Ų123137 Ų13783%0.83178%0.779SS**  trans97.5106.2175.6-68.30000117.2
357D33.8Very low38.2Very low153 Ų153138.7 Ų138.782%0.81879%0.787SS**  trans39115.5133.7-57.3-20.4000119.6
358D31.3Very low36.1Very low156 Ų156140.6 Ų140.683%0.83479%0.788SS**  -166.9155.8111.8-152.56000112.5
359Y32.5Very low34.7Very low209 Ų209141.3 Ų141.382%0.8279%0.788SS**  trans-72.5155.9-172.2-78.2-107.1000115.1
360A30.9Very low33.4Very low93 Ų93141.5 Ų141.577%0.76979%0.789SS**  trans74.4153145.200000120.2
361E29.8Very low32.4Very low195 Ų195143.3 Ų143.391%0.91180%0.799SS**  trans86.7103.1168.3-61.7-164.2141.600119.7
362G31.1Very low31.5Very low65 Ų65144 Ų14467%0.6780%0.802SS**  79.969.7116.900000117.7V364G362-V364 PolarHBondContact O-N 3.41Å
363R27.5Very low30.5Very low255 Ų255140.7 Ų140.796%0.96280%0.803SS**  trans-69.177.3157.1-88.9-170.4-83.5-167.8-7.2110.9C365R363-C365 PolarHBondContact O-N 2.63Å
364V29.5Very low30Very low128 Ų128137.4 Ų137.478%0.77680%0.798SS**  trans-73.5103.5161.5174.50000107.4G362 K366G362-V364 PolarHBondContact O-N 3.41Å; V364-K366 PolarHBondContact O-N 3.45Å; V364-K366 VanDerWaalsContact O-N 3.08Å
365C28.7Very low29.9Very low111 Ų111140.2 Ų140.275%0.7580%0.799SS**  trans-62.8110.5166.1-75.70000108.9R363 V367R363-C365 PolarHBondContact O-N 2.63Å; C365-V367 VanDerWaalsContact C-N 3.27Å; C365-V367 PolarHBondContact O-N 3.44Å
366K26.1Very low29.5Very low169 Ų169140.2 Ų140.274%0.73580%0.799SS**  trans-6584.8170.3-174.7170.6-176.7159.80109.7V364 R368V364-K366 PolarHBondContact O-N 3.45Å; V364-K366 VanDerWaalsContact O-N 3.08Å; K366-R368 PolarHBondContact O-N 3.07Å
367V27.9Very low29.9Very low107 Ų107141 Ų14165%0.64880%0.803SS**  trans-70.4105.8162.3179.70000106.5C365 F369C365-V367 VanDerWaalsContact C-N 3.27Å; C365-V367 PolarHBondContact O-N 3.44Å; V367-F369 HydrophobicContact CG1-CD2 3.84Å; V367-F369 HydrophobicContact CG1-CE2 4.09Å; V367-F369 PolarHBondContact O-N 3.04Å; V367-F369 VanDerWaalsContact O-N 3.17Å
368R24.5Very low29.6Very low194 Ų194137.4 Ų137.473%0.73280%0.802SS**  trans-64.5112.3165.5-80.5-174.5166.891-5.7107.8K366K366-R368 PolarHBondContact O-N 3.07Å
369F27.6Very low29.5Very low180 Ų180135.7 Ų135.779%0.78980%0.802SS**  trans-98.1111.5161.3-107.9-89.8000106.4V367 A371V367-F369 HydrophobicContact CG1-CD2 3.84Å; V367-F369 HydrophobicContact CG1-CE2 4.09Å; V367-F369 PolarHBondContact O-N 3.04Å; V367-F369 VanDerWaalsContact O-N 3.17Å; F369-A371 PolarHBondContact O-N 3.4Å
370D28.8Very low29.4Very low152 Ų152136.8 Ų136.881%0.81381%0.805SS**  trans-70.6113.4167-66.5-36.8000107.8
371A31.6Very low29.3Very low95 Ų95139.1 Ų139.179%0.78580%0.804SS**PPolyproline II helixtrans-84.6118.817700000109.6F369F369-A371 PolarHBondContact O-N 3.4Å
372N30.9Very low29.4Very low172 Ų172136.1 Ų136.192%0.9280%0.801SS**PPolyproline II helixtrans-89.2128.8155.1-86.3-5.5000108.4
373G27.7Very low29.4Very low79 Ų79136.6 Ų136.681%0.81480%0.799SS**PPolyproline II helixtrans-82.3168.8-155.200000117.3
374A30.7Very low29.5Very low90 Ų90132.9 Ų132.974%0.74479%0.793SS**  trans-164106147.400000109.8
375T31.3Very low29.8Very low143 Ų143133.1 Ų133.188%0.87779%0.794SS**  trans45.3119.3136.156.70000121.7
376G27.6Very low29.8Very low76 Ų76136.7 Ų136.778%0.78480%0.797SS**  112.914012500000117.9
377P37.7Very low29.8Very low140 Ų140135.3 Ų135.391%0.90980%0.797SS**  trans-100.8154.4-153.938.6-31000114.3
378G27.8Very low29.8Very low77 Ų77137.4 Ų137.479%0.79480%0.804SS**  trans-173.1101.1172.500000113.8
379S29.6Very low30.2Very low120 Ų120133.5 Ų133.584%0.83980%0.803SS**  trans-65130.2165.4161.10000111.2
380R30.3Very low30.6Very low232 Ų232128.7 Ų128.788%0.87580%0.804SS**  trans-177.7150.6136.9-109.8172.6168.5158.7-2.6115.6
381D28.7Very low30.4Very low142 Ų142132.4 Ų132.476%0.75981%0.807SS**  trans-48.2157.2-172.8-74-56.3000120.1A383D381-A383 PolarHBondContact O-N 2.97Å
382P32.4Very low30.3Very low131 Ų131137.1 Ų137.185%0.85181%0.813SS**  trans-90.485.6172.137.1-29000110.7
383A31.3Very low30.2Very low76 Ų76137.4 Ų137.463%0.62881%0.811SS**  trans-155.393.6164.600000110.1D381D381-A383 PolarHBondContact O-N 2.97Å
384Q29.5Very low30Very low176 Ų176141.5 Ų141.582%0.82281%0.813SS**  trans-17094.6144.4-105.416288.400111.1K386Q384-K386 PolarHBondContact O-N 3.31Å
385V35.4Very low29.7Very low133 Ų133146.9 Ų146.981%0.80682%0.82SS**  trans-58.2119.1148.1172.70000107.3
386K28.2Very low29.6Very low187 Ų187145.2 Ų145.281%0.81381%0.811SS**  trans-142.3120.1159.6-127.5172.4-174.3172.50110.3Q384Q384-K386 PolarHBondContact O-N 3.31Å
387L27.1Very low29.7Very low140 Ų140147.6 Ų147.673%0.73381%0.813SS**  trans-64.7152-179.6-113.278.8000113.1
388L26.2Very low29.5Very low151 Ų151148.4 Ų148.479%0.79181%0.809SS**  trans81.4158.4148.6-69.2158.4000119
389P33.4Very low29.5Very low111 Ų111153.3 Ų153.372%0.72181%0.811SS**  cis-129.5164.4-7.722.80.5000114.8R391P389-R391 PolarHBondContact O-N 3.3Å
390G35.3Very low29.5Very low79 Ų79157.6 Ų157.681%0.81481%0.809SS**  trans-56.7132.1167.800000112.5
391R26.1Very low29.6Very low231 Ų231151.2 Ų151.287%0.87280%0.795SS**  trans-130.7114.3163.9-112.2179.8166.9-165.8-4.1108.2P389 M393P389-R391 PolarHBondContact O-N 3.3Å; R391-M393 PolarHBondContact O-N 2.91Å
392H29.9Very low29.5Very low194 Ų194152.4 Ų152.490%0.89880%0.796SS**  trans-45.3117.1159-77.4-101.5000109.2
393M27.3Very low29.5Very low178 Ų178155 Ų15588%0.87779%0.79SS**  trans-110.3113159.7-81.9-151.6-164.200109.1R391R391-M393 PolarHBondContact O-N 2.91Å
394L24.7Very low29.5Very low164 Ų164159.2 Ų159.286%0.85980%0.801SS**  trans-37.3129.2170.1-71.8133.7000113.5
395F24.1Very low29.5Very low204 Ų204159.5 Ų159.590%0.89580%0.803SS**PPolyproline II helixtrans-62.7130.8165.6-73.1-92.6000110.9
396P28.6Very low29.4Very low108 Ų108157.1 Ų157.170%0.70179%0.788SS**PPolyproline II helixtrans-75.5155.6154-3.221.6000109.8L398P396-L398 PolarHBondContact O-N 3.32Å
397P30.3Very low29.4Very low126 Ų126152.3 Ų152.382%0.81878%0.776SS**PPolyproline II helixtrans-74.1117.8-163.829.1-32.6000112.8E399P397-E399 PolarHBondContact O-N 3.2Å
398L33.3Very low29.7Very low157 Ų157152.3 Ų152.382%0.82278%0.776SS**  trans25.577.1138.7-111.3150.4000116.7P396 R400P396-L398 PolarHBondContact O-N 3.32Å; L398-R400 HydrophobicContact CD2-CG 4.3Å; L398-R400 PolarHBondContact O-N 3.32Å
399E28.1Very low30.1Very low180 Ų180150.2 Ų150.284%0.84177%0.774SS**  trans-80.8111.3154-151.8173.1-160.400107.3P397 V401P397-E399 PolarHBondContact O-N 3.2Å; E399-V401 VanDerWaalsContact C-N 3.32Å; E399-V401 WeakPolarHBondContact O-CG2 3.46Å; E399-V401 PolarHBondContact O-N 3.05Å
400R28.8Very low30.6Very low209 Ų209153.1 Ų153.179%0.78977%0.771SS**  trans-63.987.6-179.9-92.8-178.2176.8151-2110.7L398 H402L398-R400 HydrophobicContact CD2-CG 4.3Å; L398-R400 PolarHBondContact O-N 3.32Å; R400-H402 PolarHBondContact O-N 3.45Å; R400-H402 PolarHBondContact O-ND1 3.23Å
401V33.6Very low30.7Very low98 Ų98158.1 Ų158.159%0.59477%0.765SS**  trans-73.6109.9166.3-142.70000107.7E399 Y403E399-V401 VanDerWaalsContact C-N 3.32Å; E399-V401 WeakPolarHBondContact O-CG2 3.46Å; E399-V401 PolarHBondContact O-N 3.05Å; V401-Y403 HydrophobicContact CB-CE2 4.08Å; V401-Y403 WeakPolarHBondContact O-CD2 3.37Å; V401-Y403 PolarHBondContact O-N 2.94Å
402H26.4Very low30.9Very low168 Ų168154.4 Ų154.478%0.77876%0.762SS**  trans-79.9105.3174.5-7673.6000109R400R400-H402 PolarHBondContact O-N 3.45Å; R400-H402 PolarHBondContact O-ND1 3.23Å
403Y32.8Very low31.1Very low184 Ų184149 Ų14972%0.72275%0.746SS**  trans-78.1124172.6-60.5-84.8000109.8V401 Q405V401-Y403 HydrophobicContact CB-CE2 4.08Å; V401-Y403 WeakPolarHBondContact O-CD2 3.37Å; V401-Y403 PolarHBondContact O-N 2.94Å; Y403-Q405 PolarHBondContact O-N 2.77Å; Y403-Q405 VanDerWaalsContact O-N 3.16Å
404L29.6Very low31.6Very low165 Ų165147.1 Ų147.186%0.86474%0.735SS**  trans-80.693.6167.5-144.6115000107.8V406L404-V406 HydrophobicContact CD2-CG2 4.48Å; L404-V406 PolarHBondContact O-N 3.37Å; L404-V406 VanDerWaalsContact O-N 3.14Å
405Q30.8Very low32Very low183 Ų183146.5 Ų146.586%0.85573%0.732SS**  trans-75.8100.2-178.9-157.9171.210.700109.3Y403Y403-Q405 PolarHBondContact O-N 2.77Å; Y403-Q405 VanDerWaalsContact O-N 3.16Å
406V33Very low32.7Very low82 Ų82144.1 Ų144.150%0.49772%0.724SS.*  trans-80.2131.2172.7-170.80000108.6L404L404-V406 HydrophobicContact CD2-CG2 4.48Å; L404-V406 PolarHBondContact O-N 3.37Å; L404-V406 VanDerWaalsContact O-N 3.14Å
407P27.5Very low33.1Very low86 Ų86144.7 Ų144.756%0.55873%0.726SS**  trans-54.2138.4-175.9-27.334000114.4S409 R410P407-S409 PolarHBondContact O-N 2.9Å; P407-R410 PolarHBondContact O-N 3.14Å
408L33.5Very low33.2Very low140 Ų140144.5 Ų144.573%0.73372%0.717SS**G310 helixtrans-58.2-27.5-178.5-93.1148.1000114R410 R411L408-R410 PolarHBondContact O-N 3.18Å; L408-R410 VanDerWaalsContact O-N 3.12Å; L408-R411 PolarHBondContact O-N 3.24Å
409S34.8Very low33.5Very low107 Ų107143.3 Ų143.375%0.74871%0.711SS**G310 helixtrans-66-11179.450.30000114.6P407P407-S409 PolarHBondContact O-N 2.9Å
410R43.4Very low33.9Very low172 Ų172144.6 Ų144.665%0.64971%0.714SS**G310 helixtrans-104.9-1.7179.6-143.9-176.9-148.3-172.37114.8P407 L408P407-R410 PolarHBondContact O-N 3.14Å; L408-R410 PolarHBondContact O-N 3.18Å; L408-R410 VanDerWaalsContact O-N 3.12Å
411R37.8Very low34.2Very low184 Ų184138.8 Ų138.869%0.69471%0.705SS**SBendtrans-78.5-22.3175.3-69.9-172.5-162.1-130.43.4112.8L408L408-R411 PolarHBondContact O-N 3.24Å
412L30.3Very low34Very low153 Ų153139.5 Ų139.580%0.80171%0.71SS**THydrogen-bonded Turntrans-90.4-7.8-175.1-75.8153.1000114.2
413S35.5Very low34.2Very low81 Ų81137.6 Ų137.657%0.56671%0.712SS**THydrogen-bonded Turntrans-94.59.9179.185.10000114
414H36.8Very low34.1Very low139 Ų139140.5 Ų140.564%0.64472%0.722SS**SBendtrans-119.95.6-172.5-143.5-75.7000113.8
415D33.1Very low34.2Very low150 Ų150141.1 Ų141.180%0.80272%0.721SS**  trans-92.477157-82.2-24000107.5T417D415-T417 PolarHBondContact O-N 2.9Å
416E39.3Very low34.3Very low155 Ų155137.7 Ų137.772%0.72471%0.714SS**  trans-75.2112.4163.8-65.8-119.2137.800106.9
417T36.1Very low34.1Very low120 Ų120137.4 Ų137.474%0.73673%0.728SS**  trans-41.9137.8164.537.60000111D415 I419D415-T417 PolarHBondContact O-N 2.9Å; T417-I419 PolarHBondContact O-N 3.26Å
418N32.9Very low34.1Very low121 Ų121138.2 Ų138.265%0.64774%0.736SS**  trans-61.2106.9177.6-68.1-58.8000109.9F420 S421N418-F420 PolarHBondContact O-N 2.91Å; N418-F420 VanDerWaalsContact O-N 3.08Å; N418-S421 PolarHBondContact O-N 2.98Å
419I39.7Very low33.9Very low133 Ų133140.4 Ų140.468%0.68274%0.739SS**THydrogen-bonded Turntrans-67.5-4.3177.5-67.7170.9000112.7T417T417-I419 PolarHBondContact O-N 3.26Å
420F37Very low33.8Very low206 Ų206143.4 Ų143.490%0.90475%0.746SS**THydrogen-bonded Turntrans-106.812.1177.5-80.8-79.1000114.7N418N418-F420 PolarHBondContact O-N 2.91Å; N418-F420 VanDerWaalsContact O-N 3.08Å
421S33.7Very low33.3Very low88 Ų88143.1 Ų143.162%0.61575%0.752SS**SBendtrans-148.471.4174.325.70000111.7N418N418-S421 PolarHBondContact O-N 2.98Å
422T29.7Very low32.9Very low113 Ų113143.7 Ų143.769%0.69376%0.759SS**  trans-147126.116050.60000109.6
423P31.5Very low32.8Very low127 Ų127148.3 Ų148.383%0.82577%0.766SS**  trans-62.3143.1167.6-1125000109.7E425P423-E425 PolarHBondContact O-N 3.47Å
424R31.2Very low32.4Very low245 Ų245150.1 Ų150.193%0.92578%0.779SS**  trans-74.4117.5176.9-179.5-177-178107.6-2.8109
425E30.3Very low31.9Very low179 Ų179148.5 Ų148.584%0.83678%0.783SS**  trans-133.5147.1165.2-85.1-89.6144.100109.7P423P423-E425 PolarHBondContact O-N 3.47Å
426P33.8Very low31.7Very low111 Ų111146.6 Ų146.672%0.72178%0.782SS**  trans-97.1152.1-159.436.3-30.4000114.7
427G27.3Very low31.3Very low75 Ų75145.8 Ų145.877%0.77378%0.783SS**  trans54.4108.6155.900000117.7
428S29.4Very low31Very low104 Ų104148 Ų14873%0.72779%0.79SS**  167.71477854.10000106.5
429F28.2Very low31Very low185 Ų185150.2 Ų150.281%0.81180%0.8SS**  trans165.395.5144.8-100.2-79.5000108.3H431F429-H431 PolarHBondContact O-N 2.68Å
430L33.1Very low30.5Very low170 Ų170154.9 Ų154.989%0.8981%0.809SS**  trans-62113.4162.8-91.3156.8000109.4
431H33.4Very low30Very low166 Ų166152.1 Ų152.177%0.76981%0.808SS**  trans-119.589.6157.7-99-84.9000110.6F429F429-H431 PolarHBondContact O-N 2.68Å
432K27.7Very low29.6Very low196 Ų196155.3 Ų155.385%0.85282%0.818SS**  trans7.3111.7145.3-155170.6-176178.80116.3S434K432-S434 PolarHBondContact O-N 3.41Å
433W29.9Very low30.2Very low250 Ų250155.3 Ų155.395%0.94782%0.82SS**  trans-60.5124.1162.9-82.751.4000110
434S26.2Very low30Very low120 Ų120153.4 Ų153.484%0.83982%0.815SS**  trans-91.3105.5167-173.20000108.3K432K432-S434 PolarHBondContact O-N 3.41Å
435S27.1Very low29.8Very low105 Ų105150.5 Ų150.573%0.73481%0.812SS**  trans-60134.5169.5-169.60000110.1
436S28.9Very low29.6Very low110 Ų110146.2 Ų146.277%0.76980%0.801SS**  trans-97.897.1175.8169.60000108.4
437D30.7Very low29.4Very low138 Ų138152.6 Ų152.674%0.73881%0.811SS**  trans-150.9112.2158.1-84.7-41.4000107.5
438D29.9Very low29.4Very low166 Ų166152.8 Ų152.889%0.88881%0.805SS**  trans168.798.4140.6-86-21.5000111.3
439I31.7Very low29.3Very low167 Ų167156.3 Ų156.386%0.85682%0.815SS**  trans-100.4103.9159.1-67.5176.8000107.9
440R29.4Very low29.3Very low232 Ų232151.2 Ų151.288%0.87582%0.815SS**  trans17.1117.4149.7-54.5-178.1-155.8-178.95.2118.4
441V26.9Very low28.9Very low147 Ų147146.8 Ų146.889%0.89181%0.81SS**  trans-139.4123.5133.4-178.80000108.8
442L25.7Very low29.2Very low155 Ų155144.8 Ų144.881%0.81281%0.812SS**  trans-107.2174.5163.6-82.1168.5000107.5
443P42.3Very low30.2Very low114 Ų114140.5 Ų140.574%0.7480%0.804SS**  cis-133.9168.4-38.634.7-18.4000112
444A26.4Very low30.1Very low86 Ų86136 Ų13671%0.71179%0.793SS**  trans-174.5126.8146.700000113.3
445Q28Very low30.2Very low185 Ų185139.5 Ų139.586%0.86479%0.789SS**  trans65.7142.9145.1-64.7-178.19.700118.1
446S26.4Very low30.4Very low89 Ų89141.9 Ų141.962%0.62279%0.793SS**  cis-178.4152.8-1.4-90.80000106.7
447R28.3Very low30.3Very low245 Ų245139.9 Ų139.993%0.92579%0.79SS**  trans71.3154.4160.1-68.2176169.2126.4-1.7118.1
448A27.3Very low30.2Very low78 Ų78141.3 Ų141.365%0.64579%0.792SS**  cis175.6142.3-26.200000105.5
449L28.2Very low30.2Very low179 Ų179143.7 Ų143.794%0.93779%0.789SS**  trans53.2135.4149.9-9179.7000121.9
450G27Very low30.1Very low78 Ų78143.3 Ų143.380%0.80478%0.783SS**  trans135.9116136.200000115.6
451G25.9Very low29.9Very low76 Ų76142.6 Ų142.678%0.78478%0.781SS**  trans-79.6-167.6177.100000116.2
452P40Very low30.1Very low125 Ų125142.7 Ų142.781%0.81278%0.775SS**  trans-102.4-160.1-152.346.1-39.2000112.1
453P48.2Very low30.3Very low106 Ų106142.8 Ų142.869%0.68877%0.771SS**  cis-141.2-171.13.135.6-11.2000116.8
454E28.7Very low29.6Very low155 Ų155144 Ų14472%0.72477%0.772SS**  121.2139.2125.4-116.5-174.6-173.500121.3
455Y28.3Very low29.9Very low193 Ų193148.7 Ų148.776%0.75778%0.779SS**  trans72.9136.7164.9-79-104.6000118.7
456L30.1Very low30Very low155 Ų155143.6 Ų143.681%0.81277%0.768SS**  cis-170.4153.815-141.9167.4000108.4
457G27.8Very low30.1Very low69 Ų69147.2 Ų147.271%0.71178%0.781SS**  trans136.465.4146.500000120.7
458Q28.8Very low30.2Very low167 Ų167144.2 Ų144.278%0.7878%0.777SS**  trans-29.7150.6150.7-136.5150.8-1800115
459R27.9Very low30.3Very low217 Ų217149 Ų14982%0.81979%0.786SS**  174123.766.7-162.7159.5-166.9-157.76.8109.7
460H29.8Very low30.4Very low159 Ų159149.2 Ų149.274%0.73678%0.782SS**  57.2145.7115.3-80.631.9000117.7
461R26.7Very low30.5Very low217 Ų217150.1 Ų150.182%0.81978%0.783SS**  cis-168154.532.8-151.5178.9-175.1152.3-0.2111.5
462L29.4Very low30.7Very low148 Ų148156 Ų15678%0.77579%0.789SS**  trans-75.5155.9164.2-65.3134.7000111.7
463E31Very low30.2Very low157 Ų157153.8 Ų153.873%0.73479%0.79SS**  146.2149.7110.4-90.3160.1165.900104.1
464D28.4Very low29.3Very low139 Ų139153 Ų15374%0.74380%0.801SS**  cis-167.7171.817.2-119.2-21.8000109.5
465E31.4Very low29.5Very low185 Ų185149.4 Ų149.486%0.86481%0.805SS**  trans-58.9173.5176-50.9-166.1116.500114.6
466A30.5Very low29.7Very low78 Ų78144 Ų14465%0.64581%0.809SS**  cis-166.7179.127.600000111
467D28.9Very low30.2Very low165 Ų165145.1 Ų145.188%0.88282%0.815SS**  trans120.1129.3149.2-62.3-23000119.1
468E30.3Very low30.7Very low183 Ų183146.8 Ų146.886%0.85582%0.821SS**  trans-83.2150.1-171.4-59.1175.3133.900113.4
469E29.9Very low31.4Very low177 Ų177143.8 Ų143.883%0.82782%0.819SS**  157.2141.1117.8-88.7-159.8158.400114
470E28.6Very low31.9Very low184 Ų184140.8 Ų140.886%0.8682%0.818SS**  trans6.1133.8166.3-58.7-161.7144.400122.9
471A29.5Very low32.3Very low98 Ų98143 Ų14381%0.8182%0.82SS**  175.7142.8109.200000113.7
472E30.5Very low33Very low198 Ų198141.7 Ų141.793%0.92582%0.823SS**  trans-12.8153.7163.4-61.3-175.4127.400121.8
473G30Very low33.5Very low79 Ų79143.4 Ų143.481%0.81483%0.825SS**  trans123.4106.9137.200000115.9
474G29.5Very low34.1Very low90 Ų90142.8 Ų142.893%0.92883%0.826SS**  trans-73176.7179.400000115.9
475G31.8Very low34.7Very low79 Ų79143.8 Ų143.881%0.81483%0.826SS**  trans129.769.515800000116.4L477G475-L477 PolarHBondContact O-N 3.34Å
476G32.3Very low35Very low80 Ų80140.3 Ų140.383%0.82582%0.822SS**  trans-85.782.1165.700000112.4
477L40.8Very low35.4Very low179 Ų179139.9 Ų139.994%0.93783%0.825SS**  trans-147.460.8166.5-86.8178.5000111.2G475G475-L477 PolarHBondContact O-N 3.34Å
478A39.4Very low35.6Very low103 Ų103138.4 Ų138.485%0.85182%0.822SS**  trans-134.358.7177.700000112.6
479S42.9Very low35.8Very low105 Ų105138.3 Ų138.373%0.73483%0.826SS**SBendtrans-140.8-11.9169.9-172.10000115.6
480L37.2Very low35.8Very low153 Ų153133.8 Ų133.880%0.80183%0.827SS**SBendtrans-95.3-11-177-143.383.9000115.2
481R38.3Very low36Very low207 Ų207131.3 Ų131.378%0.78183%0.83SS**SBendtrans-94.1-13.4-174.6-146.6178.1-174.6-157.1-1114.5
482Q42.8Very low36Very low188 Ų188130.2 Ų130.288%0.87983%0.828SS**SBendtrans-92.6-3.7-178.1-145.4169.77.400113.5
483F39.3Very low36.1Very low185 Ų185125 Ų12581%0.81183%0.828SS**SBendtrans-97-14.9177.7-160.8-97.5000113.4
484L43Very low36.2Very low143 Ų143125 Ų12575%0.74983%0.827SS**SBendtrans-102.2-1.8-172.8-81.6165.2000115.1
485E42.4Very low36.6Very low161 Ų161126.9 Ų126.975%0.75282%0.823SS**SBendtrans-113.616.3-174-84.7-176.9169.500115.7
486S38Very low37.3Very low111 Ų111129 Ų12978%0.77682%0.822SS**SBendtrans-110.832.5-177.964.10000116.1
487G37.9Very low37.3Very low69 Ų69137.2 Ų137.271%0.71183%0.829SS**  trans-145.639-172.500000117.7
488V33.6Very low36.9Very low135 Ų135132.1 Ų132.182%0.81882%0.819SS**  trans-141.7111.2171.1-1790000110.5
489L33.3Very low36.7Very low181 Ų181132.9 Ų132.995%0.94882%0.816SS**  trans160.6125.8142.1-86.3165.6000110.9
490G31Very low36Very low81 Ų81131.3 Ų131.384%0.83582%0.816SS**  trans146.7101.4159.100000118
491S32.1Very low35.5Very low133 Ų133133.9 Ų133.993%0.9382%0.821SS**  trans-55147.5176.6-172.10000118.8
492G30.9Very low35.1Very low74 Ų74132.7 Ų132.776%0.76382%0.822SS**  trans120.4106.8133.800000121
493G31.7Very low34.9Very low90 Ų90134.5 Ų134.593%0.92882%0.821SS**  trans93.7115.2134.800000122.4
494G32Very low34.8Very low78 Ų78134.2 Ų134.280%0.80482%0.822SS**  trans104.4143.6146.400000119.3
495P38.6Very low34.2Very low129 Ų129135 Ų13584%0.83882%0.822SS**  trans-110.5-171.3-161.946.4-36.1000114.3
496P45.3Very low33.8Very low123 Ų123135.5 Ų135.580%0.79983%0.828SS**  -110.5151.9-91.733.3-15.8000113.6
497R33.2Very low33.4Very low253 Ų253136.3 Ų136.396%0.95583%0.828SS**  trans-135.1122.9160.8-94.4-178.8152.4121.2-4.7107.8
498G31Very low33Very low72 Ų72138.1 Ų138.174%0.74283%0.826SS**  trans-74.4-165.6-176.900000114.3
499P36.8Very low32.7Very low120 Ų120141.5 Ų141.578%0.77983%0.83SS**  cis-117.1127.2-2.833.8-17.6000112.3
500G27.9Very low32.7Very low72 Ų72140.3 Ų140.374%0.74282%0.823SS**PPolyproline II helixtrans-83.2116.5163.700000109F502G500-F502 PolarHBondContact O-N 3.29Å
501F26.8Very low32.6Very low206 Ų206143.5 Ų143.590%0.90482%0.821SS**PPolyproline II helixtrans-59.7120.5172.5-112.1-98.1000109.8
502F29Very low32.6Very low183 Ų183145 Ų14580%0.80381%0.813SS**PPolyproline II helixtrans-73138.6170.9-112.6-102.2000110.1G500 E504G500-F502 PolarHBondContact O-N 3.29Å; F502-E504 PolarHBondContact O-N 3.31Å
503R39.6Very low32.6Very low226 Ų226147.3 Ų147.385%0.85381%0.812SS**SBendtrans-54.9110.6152.9174.7-175176.4171.1-0.3108.6
504E36.2Very low32.8Very low179 Ų179148 Ų14884%0.83680%0.801SS**  trans160.574.6155.8-91.1160.2-158.300110.4F502F502-E504 PolarHBondContact O-N 3.31Å
505E31.5Very low32.7Very low160 Ų160152.5 Ų152.575%0.74881%0.805SS**  trans-164.377.3162.5-159.2168.3-166.400111.9
506I32.8Very low32.4Very low170 Ų170151.5 Ų151.587%0.87280%0.799SS**  trans-142.161.2148.6-48.8178.6000107.8
507T30.5Very low31.7Very low128 Ų128151.6 Ų151.679%0.78580%0.802SS**  trans-143.672.715951.60000108.2
508T29.9Very low31.7Very low108 Ų108144.5 Ų144.566%0.66379%0.789SS**  trans-174.3114.6150.339.40000108
509F27.3Very low31.6Very low205 Ų205147.7 Ų147.790%0.89980%0.795SS**SBendtrans150.480152.8-92.9-76.7000108
510I33.1Very low31.2Very low156 Ų156146.8 Ų146.880%0.880%0.797SS**  -175.186117.3-78.5153.8000102.9E512I510-E512 HydrophobicContact CG2-CB 4.45Å; I510-E512 HydrophobicContact CG2-CG 4.06Å
511D29.3Very low31.3Very low148 Ų148148.6 Ų148.679%0.79180%0.798SS**  trans-94.6107.9160.7-168.87.6000105.7
512E31.8Very low31.9Very low166 Ų166145.3 Ų145.378%0.77680%0.797SS**  trans-123.579.7174.6-83.4-77163.100106.4I510I510-E512 HydrophobicContact CG2-CB 4.45Å; I510-E512 HydrophobicContact CG2-CG 4.06Å
513T29.9Very low31.8Very low121 Ų121139.6 Ų139.674%0.74279%0.791SS**  trans-135.9144147.631.20000111.7
514P37.4Very low31.3Very low106 Ų106138.3 Ų138.369%0.68879%0.794SS**  trans-95.8150.5-150.836.7-32.2000112
515L28.7Very low30.9Very low172 Ų172134.7 Ų134.790%0.90179%0.788SS**  trans166.1160.6151.3-91.2144.7000109.5
516P33.2Very low31.5Very low108 Ų108132.2 Ų132.270%0.70179%0.786SS**  -116.6149.7-60.426.7-8.2000111.4
517S30.4Very low31.3Very low124 Ų124135.5 Ų135.587%0.86779%0.787SS**  trans-71138.8176.4-32.50000112.4
518P32.2Very low31.3Very low105 Ų105140.7 Ų140.768%0.68279%0.793SS**  trans-102145.3169.135.3-27.9000113.4
519T29.7Very low32Very low139 Ų139141 Ų14185%0.85380%0.796SS**  trans65.9138.8146.548.80000118.8
520A28.9Very low32.4Very low100 Ų100142.4 Ų142.483%0.82680%0.796SS**  cis-164158.13.200000108.9
521S28.8Very low32.9Very low111 Ų111140.1 Ų140.178%0.77679%0.791SS**  trans-102.3163.1169.746.30000111.6
522P40.2Very low33.1Very low136 Ų136141.4 Ų141.488%0.88380%0.797SS**  -140.4149.3118.836.6-22.6000111.4
523G27.3Very low32.9Very low64 Ų64137 Ų13766%0.6680%0.797SS**  cis-175.9-170.49.300000112.2
524H28.2Very low33Very low198 Ų198139.5 Ų139.592%0.91780%0.804SS**  trans72.996.2170-66.6-73.4000120.4
525S27.5Very low32.9Very low104 Ų104139.6 Ų139.673%0.72781%0.808SS**  trans-68.1175.2151.2650000112.2
526P44.9Very low33.7Very low107 Ų107136.8 Ų136.870%0.69580%0.8SS**  cis-139.5-179.618.336.6-12.1000113.1
527R28.5Very low33.7Very low239 Ų239143.2 Ų143.290%0.90281%0.81SS**  cis-157.9149.633.6-78.8179.7163.7146.3-5.6110.4
528R31Very low33.7Very low237 Ų237149.1 Ų149.189%0.89481%0.813SS**  trans-74-178.3163.9-109.6-173.4-166.3-161.95.8111.8
529P43.7Very low33.7Very low114 Ų114152 Ų15274%0.7482%0.822SS**  cis-136.6173-0.123.72.3000117.3
530R34.9Very low33.7Very low236 Ų236151.5 Ų151.589%0.89182%0.824SS**  trans-51.6-178.5160-75.4179.6167.4170.2-3.4113.6
531P45.3Very low33.7Very low108 Ų108155.2 Ų155.270%0.70183%0.829SS**  cis-15218020.233.9-7.1000119.5
532L32.5Very low33.7Very low174 Ų174153.6 Ų153.691%0.91183%0.83SS**  trans45.9135.4141.6-68.4160.3000123
533G27.8Very low33Very low75 Ų75152.7 Ų152.777%0.77383%0.827SS**  trans114.2114.6132.400000119.8
534L30.9Very low34.2Very low172 Ų172154.8 Ų154.890%0.90183%0.829SS**  trans1.2129.5151.6-75.6147.4000123
535S35.3Very low34.3Very low109 Ų109154 Ų15476%0.76283%0.825SS**  trans66.1164.3140.7-85.70000121.3
536P47.3Very low34.5Very low112 Ų112154.5 Ų154.573%0.72783%0.829SS**  cis-136.1-178.6-24.935.8-15.8000114.3
537R32.6Very low33.8Very low244 Ų244161.4 Ų161.492%0.92184%0.841SS**  trans41.9127.8152.6-96.4-179.3173.1163.1-1.9120.7
538R30.7Very low33.8Very low247 Ų247154.1 Ų154.193%0.93283%0.832SS**  trans-149.9125.9142.3-146.5-175.9-77.4-100.8-0.3113.2
539L30.9Very low33.8Very low167 Ų167149.9 Ų149.987%0.87483%0.832SS**  trans-72.6141.8157.9-79.7144.5000108.7
540S29.6Very low33.1Very low127 Ų127148 Ų14889%0.88883%0.834SS**  trans-116.1132.9172-156.90000110
541L29.5Very low32.9Very low179 Ų179144.3 Ų144.394%0.93783%0.831SS**  trans-139.9123.9176.6-140.2144.7000106.4
542G28.2Very low33Very low77 Ų77144.3 Ų144.379%0.79483%0.831SS**  trans-174.5101.7-178.500000112.6
543S27.1Very low33Very low116 Ų116143.6 Ų143.681%0.81183%0.827SS**  trans-52.3-172.1169.5-114.90000116.5
544P52.2Low33.1Very low108 Ų108143 Ų14370%0.70182%0.821SS**  cis-138.6-175.2-32.131.5-9.3000114.7
545E30.3Very low33.2Very low181 Ų181142.8 Ų142.885%0.84682%0.82SS**  trans110.1128.8148.2-70.2-165.915000123.2
546S31.1Very low33.1Very low116 Ų116143.1 Ų143.181%0.81182%0.823SS**  trans98.2104.2148.272.20000121.9
547R29.4Very low32.5Very low252 Ų252143 Ų14395%0.95183%0.831SS**  trans1.7145.6137.6-85.6175.4172.4159.4-3117.4
548A29Very low32.4Very low85 Ų85135.2 Ų135.270%0.70283%0.826SS**  cis-171.217318.800000112.3
549V30.6Very low32.6Very low148 Ų148135 Ų13590%0.89783%0.826SS**  trans91.7118.2152.6-165.70000119.1
550G29.1Very low32.4Very low75 Ų75138.3 Ų138.377%0.77383%0.827SS**  trans111.392.2135.300000118.4
551L31.2Very low32.4Very low158 Ų158137.5 Ų137.583%0.82782%0.82SS**  trans-90.9156.2157.4-117148.4000108.6
552P47.1Very low32.3Very low109 Ų109134.7 Ų134.771%0.70882%0.815SS**  -148.615188.627.4-5.1000118.2
553L33.7Very low32.5Very low158 Ų158138.7 Ų138.783%0.82782%0.818SS**  trans56.5136.5144.7-78.396.7000121.2
554G29.8Very low32.8Very low64 Ų64140 Ų14066%0.6682%0.821SS**  cis-179.4163.64.600000114.9
555L33.3Very low31.6Very low166 Ų166138.5 Ų138.587%0.86982%0.824SS**  trans51.6124.8144.4-65.9152.9000118.9
556S32.3Very low31.6Very low117 Ų117134.3 Ų134.382%0.81882%0.821SS**  cis-165.9150.848.947.30000112.4
557A35.5Very low31.6Very low108 Ų108137.3 Ų137.389%0.89382%0.822SS**  trans-109.5164.3178.800000111
558G29.5Very low31.5Very low81 Ų81133.7 Ų133.784%0.83582%0.816SS**  trans-17788.4164.600000115.6
559R34.7Very low31.5Very low242 Ų242135.3 Ų135.391%0.91382%0.822SS**  trans-89.3157.6159.8-74.6-177.4-170.7-170.12.6110.8
560R28.1Very low31.6Very low237 Ų237132.8 Ų132.889%0.89482%0.817SS**  trans-166.9119.4144.8-131.8176.5-86.3-135.11.2107.7
561C28.8Very low31.7Very low111 Ų111141.1 Ų141.175%0.7583%0.825SS**  57.3121.667-67.70000115.1
562S28.2Very low31.7Very low120 Ų120137.3 Ų137.384%0.83982%0.816SS**  177.2143.8112.7-710000114.1
563L31.8Very low30.9Very low161 Ų161144.3 Ų144.384%0.84383%0.829SS**  trans-76.4155.6162.6-80.6114.5000111.3
564T32.3Very low30.7Very low144 Ų144140.4 Ų140.488%0.88383%0.827SS**  161.8137.8124.447.30000112.7
565G28.6Very low30.6Very low75 Ų75141.4 Ų141.477%0.77384%0.837SS**  103.8102.8129.900000121.5
566A29.2Very low30.4Very low93 Ų93138.7 Ų138.777%0.76983%0.832SS**  59.9129.3129.200000124.2
567E30.6Very low30.4Very low179 Ų179145.7 Ų145.784%0.83684%0.841SS**  trans48.5144136.8-75.5179.3132.900121
568E28.8Very low30.1Very low177 Ų177143.6 Ų143.683%0.82783%0.83SS**  cis-172.7152-11.8-157.6-177-164.600104.7
569S28.8Very low30.8Very low119 Ų119146.4 Ų146.483%0.83283%0.833SS**  trans142.4134.1145.6-1650000116.1
570A31.7Very low30.6Very low95 Ų95138.5 Ų138.579%0.78583%0.827SS**  trans83.688.5159.800000120.9
571R32.1Very low30.8Very low249 Ų249135 Ų13594%0.9483%0.826SS**  trans-37.4160.5146.7-65.6179.1-169.4151.52.8113.8
572A31.2Very low31.6Very low78 Ų78134.7 Ų134.765%0.64582%0.823SS**  cis-166.6173.95.700000106.8
573W30.9Very low31.8Very low256 Ų256136.7 Ų136.797%0.9782%0.822SS**  cis-155.6142.435.7-89.471.1000110.1
574G27.7Very low32.1Very low76 Ų76138 Ų13878%0.78482%0.821SS**  trans-131.7139.4164.700000109.6
575G29.2Very low32.7Very low86 Ų86136.8 Ų136.889%0.88782%0.816SS**  trans-94.6134.1176.300000111.8
576S29.5Very low33.1Very low108 Ų108140.9 Ų140.976%0.75582%0.815SS**  trans-97.1149.8-178.769.60000112.8
577W31.5Very low33.3Very low265 Ų265144.5 Ų144.5100%1.00482%0.821SS**  trans-132.3131.4149.5-81.187.7000109.4
578G29.1Very low33.4Very low64 Ų64141.2 Ų141.266%0.6681%0.813SS**  trans-140.5166172.500000110.5
579P43.6Very low33.8Very low139 Ų139144.6 Ų144.690%0.90384%0.836SS**  trans-107.4163.3-148.338.6-31.4000115.2
580G30Very low34Very low77 Ų77145.9 Ų145.979%0.79484%0.836SS**  trans166.7109.7163.100000115
581N33.5Very low34.1Very low162 Ų162148.6 Ų148.687%0.86684%0.839SS**  trans-74.8164.2158.8-111.9-4.9000109.3
582P45.9Very low34.2Very low106 Ų106143 Ų14369%0.68883%0.833SS**  cis-155-175.949.335.4-9.1000118.2
583I32.7Very low34.4Very low161 Ų161146.8 Ų146.883%0.82684%0.844SS**  trans94.6120.4151.5-47.2-178.4000120.1
584F36.5Very low34.6Very low188 Ų188140 Ų14083%0.82584%0.836SS**  trans-70.1161.9167.1-93.2-78.5000112.8
585P46.8Very low35.1Very low120 Ų120144.3 Ų144.378%0.77984%0.84SS**  -15016957.937.6-14.6000119.2
586Q36.5Very low35.5Very low161 Ų161148.4 Ų148.475%0.75284%0.836SS**  trans-14.8139.4157.9-71.2-114-1.100118.9
587L33.5Very low36Very low168 Ų168151.5 Ų151.588%0.8884%0.843SS**  trans-143.3121.7149.8-115.4135.9000110.5
588T32.9Very low36.4Very low110 Ų110142.1 Ų142.168%0.67583%0.829SS**  trans-66.5134.9165.940.80000112
589L35.4Very low37Very low249 Ų249149.2 Ų149.2100%1.30485%0.845SS**  -1670128.9-118.3146.3000110.3

Retrieved 589 of 589 residues in 190.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).