G4VQ47_SCHMA Loading...

Microsomal glutathione S-transferase 1

Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles.

AlphaFold DB , UniProt , Accession G4VQ47, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 134 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
1M57.3Low78.4Confident114 Ų11472.6 Ų72.656%0.56240%0.397SS*.  0121.70-170169.117300106.8D5 A78 L82M1-D5 HydrophobicContact CE-CB 3.53Å; M1-D5 HydrophobicContact CG-CB 3.75Å; M1-D5 WeakPolarHBondContact CG-OD2 3.45Å; M1-A78 HydrophobicContact CB-CB 4.14Å; M1-A78 HydrophobicContact CG-CB 4.17Å; M1-L82 HydrophobicContact CE-CB 4.26Å; M1-L82 HydrophobicContact CE-CD1 4.12Å; M1-L82 HydrophobicContact CE-CD2 3.75Å; M1-L82 HydrophobicContact CE-CG 4.24Å; M1-L82 HydrophobicContact SD-CB 4.48Å; M1-L82 HydrophobicContact SD-CD2 3.87Å
2K63.5Low79.6Confident157 Ų15776.7 Ų76.768%0.68341%0.408SS*.  trans-73.3151.7-174.6-68.4-179.6-179.7179.10109.1T4 D5K2-T4 VanDerWaalsContact CB-OG1 3.27Å; K2-T4 WeakPolarHBondContact CB-OG1 3.28Å; K2-T4 PolarHBondContact O-N 2.66Å; K2-T4 VanDerWaalsContact O-N 3.15Å; K2-D5 PolarHBondContact N-OD2 2.95Å; K2-D5 WeakPolarHBondContact O-CB 3.48Å; K2-D5 PolarHBondContact O-N 3.24Å
3T64.1Low80.6Confident74 Ų7474.2 Ų74.245%0.45439%0.39SS..Hα-helixtrans-56-29.2175.748.40000112.3D5 M6 R7T3-D5 VanDerWaalsContact C-N 3.3Å; T3-D5 PolarHBondContact O-N 3.43Å; T3-M6 PolarHBondContact O-N 2.83Å; T3-R7 PolarHBondContact O-N 3.44Å
4T71.6Confident81.3Confident91 Ų9169.3 Ų69.356%0.55837%0.367SS*.Hα-helixtrans-57.6-39171.650.80000113.1K2 M6 R7 G8K2-T4 VanDerWaalsContact CB-OG1 3.27Å; K2-T4 WeakPolarHBondContact CB-OG1 3.28Å; K2-T4 PolarHBondContact O-N 2.66Å; K2-T4 VanDerWaalsContact O-N 3.15Å; T4-M6 VanDerWaalsContact C-N 3.29Å; T4-M6 PolarHBondContact O-N 2.62Å; T4-R7 PolarHBondContact O-N 2.82Å; T4-G8 PolarHBondContact O-N 3.32Å; T4-G8 VanDerWaalsContact O-N 3.14Å
5D80.2Confident82Confident74 Ų7469.2 Ų69.240%0.39637%0.374SS..Hα-helixtrans-69.9-33.2-176.2-50.5-21.2000110.5M1 K2 T3 A9M1-D5 HydrophobicContact CE-CB 3.53Å; M1-D5 HydrophobicContact CG-CB 3.75Å; M1-D5 WeakPolarHBondContact CG-OD2 3.45Å; K2-D5 PolarHBondContact N-OD2 2.95Å; K2-D5 WeakPolarHBondContact O-CB 3.48Å; K2-D5 PolarHBondContact O-N 3.24Å; T3-D5 VanDerWaalsContact C-N 3.3Å; T3-D5 PolarHBondContact O-N 3.43Å; D5-A9 WeakPolarHBondContact O-CB 3.27Å; D5-A9 PolarHBondContact O-N 3.34Å
6M83.3Confident82.7Confident2 Ų268.5 Ų68.51%0.0137%0.369CS..Hα-helixtrans-69.1-45178-176.1-178.470.500111.9T3 T4 G8 A9 F10 Y71 C72 A78 F85T3-M6 PolarHBondContact O-N 2.83Å; T4-M6 VanDerWaalsContact C-N 3.29Å; T4-M6 PolarHBondContact O-N 2.62Å; M6-G8 VanDerWaalsContact C-N 3.32Å; M6-G8 PolarHBondContact O-N 3.47Å; M6-A9 PolarHBondContact O-N 3.12Å; M6-F10 PolarHBondContact O-N 3.47Å; M6-Y71 HydrophobicContact CE-CD1 4.21Å; M6-Y71 HydrophobicContact CE-CE1 4.37Å; M6-Y71 HydrophobicContact SD-CD1 3.74Å; M6-Y71 HydrophobicContact SD-CE1 3.48Å; M6-Y71 WeakPolarHBondContact SD-CE1 3.24Å; M6-C72 HydrophobicContact CE-CB 4.39Å; M6-A78 HydrophobicContact CB-CB 4.14Å; M6-F85 HydrophobicContact CG-CE2 3.82Å
7R85Confident83.2Confident143 Ų14364.5 Ų64.554%0.5435%0.348SS..Hα-helixtrans-62.1-41.8176.8-68.3-178.7178.7176.70.8111.3T3 T4 F10 A11 C72T3-R7 PolarHBondContact O-N 3.44Å; T4-R7 PolarHBondContact O-N 2.82Å; R7-F10 PolarHBondContact O-N 3.26Å; R7-A11 WeakPolarHBondContact O-CB 3.29Å; R7-A11 PolarHBondContact O-N 2.91Å; R7-C72 HydrophobicContact CG-CB 4.11Å; R7-C72 PolarHBondContact NE-O 3.49Å; R7-C72 PolarHBondContact NH2-O 3.11Å
8G87.8Confident83.7Confident43 Ų4362.8 Ų62.844%0.44334%0.344SS..Hα-helixtrans-60.6-43.9173.300000112.5T4 M6 A11 F12T4-G8 PolarHBondContact O-N 3.32Å; T4-G8 VanDerWaalsContact O-N 3.14Å; M6-G8 VanDerWaalsContact C-N 3.32Å; M6-G8 PolarHBondContact O-N 3.47Å; G8-A11 PolarHBondContact O-N 3.12Å; G8-F12 WeakPolarHBondContact O-CB 3.31Å; G8-F12 PolarHBondContact O-N 3.14Å
9A88.8Confident84.1Confident13 Ų1365.3 Ų65.311%0.10736%0.356CS..Hα-helixtrans-63.8-44.1175.900000112.5D5 M6 F12 Y13 L82D5-A9 WeakPolarHBondContact O-CB 3.27Å; D5-A9 PolarHBondContact O-N 3.34Å; M6-A9 PolarHBondContact O-N 3.12Å; A9-F12 PolarHBondContact O-N 2.95Å; A9-Y13 HydrophobicContact CB-CD2 4.38Å; A9-Y13 HydrophobicContact CB-CE2 4.25Å; A9-Y13 WeakPolarHBondContact O-CD2 3.42Å; A9-Y13 PolarHBondContact O-N 3.45Å; A9-L82 HydrophobicContact CB-CD1 3.5Å; A9-L82 VanDerWaalsContact CB-CD1 3.5Å
10F90.2Very high84.5Confident28 Ų2863.6 Ų63.612%0.12335%0.345CS..Hα-helixtrans-58.9-47.8175.6173.3-106.5000111.5M6 R7 F12 Y13 G14 F64 L65 L69 F85M6-F10 PolarHBondContact O-N 3.47Å; R7-F10 PolarHBondContact O-N 3.26Å; F10-F12 VanDerWaalsContact C-N 3.33Å; F10-F12 PolarHBondContact O-N 3.49Å; F10-Y13 PolarHBondContact O-N 2.91Å; F10-G14 WeakPolarHBondContact O-CA 3.47Å; F10-G14 PolarHBondContact O-N 3.38Å; F10-F64 HydrophobicContact CD2-CE1 4.43Å; F10-F64 HydrophobicContact CE2-CE1 4.17Å; F10-L65 HydrophobicContact CE2-CD2 4.34Å; F10-L65 HydrophobicContact CZ-CD2 4.04Å; F10-L65 WeakPolarHBondContact CZ-O 3.45Å; F10-L69 HydrophobicContact CE1-CB 4.48Å; F10-L69 HydrophobicContact CZ-CB 4.46Å; F10-F85 HydrophobicContact CB-CD2 4.14Å; F10-F85 HydrophobicContact CB-CE2 3.71Å; F10-F85 HydrophobicContact CB-CZ 4Å; F10-F85 HydrophobicContact CD2-CD1 4.32Å; F10-F85 AromaticContact CD2-CE1 3.9Å; F10-F85 HydrophobicContact CD2-CE1 3.9Å; F10-F85 HydrophobicContact CD2-CE2 4.42Å; F10-F85 AromaticContact CD2-CZ 3.95Å; F10-F85 HydrophobicContact CD2-CZ 3.95Å; F10-F85 HydrophobicContact CG-CZ 4.33Å
11A91Very high84.8Confident60 Ų6061.3 Ų61.350%0.49633%0.333SS..Hα-helixtrans-61.8-40.1177.200000112.3R7 G8 S15R7-A11 WeakPolarHBondContact O-CB 3.29Å; R7-A11 PolarHBondContact O-N 2.91Å; G8-A11 PolarHBondContact O-N 3.12Å; A11-S15 VanDerWaalsContact O-CB 3.23Å; A11-S15 WeakPolarHBondContact O-CB 3.4Å; A11-S15 PolarHBondContact O-N 3.35Å; A11-S15 PolarHBondContact O-OG 3.26Å
12F92.6Very high86.4Confident121 Ų12161.6 Ų61.653%0.53134%0.336SS..Hα-helixtrans-65.1-52.8177.6-177.8-100.8000112.2G8 A9 F10 S15 I16G8-F12 WeakPolarHBondContact O-CB 3.31Å; G8-F12 PolarHBondContact O-N 3.14Å; A9-F12 PolarHBondContact O-N 2.95Å; F10-F12 VanDerWaalsContact C-N 3.33Å; F10-F12 PolarHBondContact O-N 3.49Å; F12-S15 PolarHBondContact O-N 3.42Å; F12-S15 PolarHBondContact O-OG 3.09Å; F12-I16 HydrophobicContact CD1-CD1 3.88Å; F12-I16 HydrophobicContact CE1-CD1 3.43Å; F12-I16 VanDerWaalsContact CE1-CD1 3.43Å; F12-I16 HydrophobicContact CE2-CD1 4.23Å; F12-I16 HydrophobicContact CG-CD1 4.46Å; F12-I16 HydrophobicContact CZ-CD1 3.63Å; F12-I16 WeakPolarHBondContact O-CG1 3.44Å; F12-I16 PolarHBondContact O-N 3.36Å; F12-I16 VanDerWaalsContact O-N 3.16Å
13Y92Very high87.7Confident44 Ų4458.7 Ų58.717%0.17333%0.332CS..Hα-helixtrans-69.4-38179.8-67.8-62.2000112.2A9 F10 I16 L17 L82 F85 R86 A89A9-Y13 HydrophobicContact CB-CD2 4.38Å; A9-Y13 HydrophobicContact CB-CE2 4.25Å; A9-Y13 WeakPolarHBondContact O-CD2 3.42Å; A9-Y13 PolarHBondContact O-N 3.45Å; F10-Y13 PolarHBondContact O-N 2.91Å; Y13-I16 PolarHBondContact O-N 2.88Å; Y13-L17 WeakPolarHBondContact O-CG 3.29Å; Y13-L17 PolarHBondContact O-N 3.49Å; Y13-L17 VanDerWaalsContact O-N 3.08Å; Y13-L82 HydrophobicContact CE2-CD1 4.28Å; Y13-F85 HydrophobicContact CD2-CB 3.72Å; Y13-F85 HydrophobicContact CE2-CB 4.37Å; Y13-F85 HydrophobicContact CG-CB 4.4Å; Y13-R86 HydrophobicContact CE1-CG 4.33Å; Y13-R86 HydrophobicContact CE2-CG 3.78Å; Y13-R86 WeakPolarHBondContact OH-CG 3.36Å; Y13-R86 PolarHBondContact OH-NE 2.93Å; Y13-A89 HydrophobicContact CD1-CB 3.65Å; Y13-A89 HydrophobicContact CE1-CB 4.44Å; Y13-A89 HydrophobicContact CG-CB 4.12Å
14G91.4Very high88.8Confident6 Ų655.7 Ų55.76%0.06231%0.313CS..Hα-helixtrans-62-43.3175.600000112.4F10 L17 A18F10-G14 WeakPolarHBondContact O-CA 3.47Å; F10-G14 PolarHBondContact O-N 3.38Å; G14-L17 PolarHBondContact O-N 2.66Å; G14-A18 VanDerWaalsContact O-CB 3.32Å; G14-A18 WeakPolarHBondContact O-CB 3.4Å; G14-A18 PolarHBondContact O-N 3.43Å
15S91.8Very high89.7Confident68 Ų6852.9 Ų52.948%0.47630%0.299SS..Hα-helixtrans-66.5-38.5176.857.60000112.9A11 F12 L17 A18 L19A11-S15 VanDerWaalsContact O-CB 3.23Å; A11-S15 WeakPolarHBondContact O-CB 3.4Å; A11-S15 PolarHBondContact O-N 3.35Å; A11-S15 PolarHBondContact O-OG 3.26Å; F12-S15 PolarHBondContact O-N 3.42Å; F12-S15 PolarHBondContact O-OG 3.09Å; S15-L17 PolarHBondContact O-N 3.22Å; S15-A18 PolarHBondContact O-N 3Å; S15-L19 VanDerWaalsContact O-CB 3.31Å; S15-L19 WeakPolarHBondContact O-CB 3.27Å; S15-L19 PolarHBondContact O-N 3.34Å
16I93.1Very high90.1Very high58 Ų5850.8 Ų50.830%0.29729%0.294SS..Hα-helixtrans-60.7-45.7174-69.8168.5000111F12 Y13 L19 K20 I93F12-I16 HydrophobicContact CD1-CD1 3.88Å; F12-I16 HydrophobicContact CE1-CD1 3.43Å; F12-I16 VanDerWaalsContact CE1-CD1 3.43Å; F12-I16 HydrophobicContact CE2-CD1 4.23Å; F12-I16 HydrophobicContact CG-CD1 4.46Å; F12-I16 HydrophobicContact CZ-CD1 3.63Å; F12-I16 WeakPolarHBondContact O-CG1 3.44Å; F12-I16 PolarHBondContact O-N 3.36Å; F12-I16 VanDerWaalsContact O-N 3.16Å; Y13-I16 PolarHBondContact O-N 2.88Å; I16-L19 PolarHBondContact O-N 2.75Å; I16-K20 PolarHBondContact O-N 3.19Å; I16-I93 HydrophobicContact CG2-CD1 4Å
17L91.5Very high90.4Very high1 Ų152.3 Ų52.31%0.00531%0.307CS..Hα-helixtrans-69.6-38180-67172.1000112.3Y13 G14 S15 K20 T21 L61 F64 F88 A89 R92 I93Y13-L17 WeakPolarHBondContact O-CG 3.29Å; Y13-L17 PolarHBondContact O-N 3.49Å; Y13-L17 VanDerWaalsContact O-N 3.08Å; G14-L17 PolarHBondContact O-N 2.66Å; S15-L17 PolarHBondContact O-N 3.22Å; L17-K20 WeakPolarHBondContact O-CB 3.37Å; L17-K20 PolarHBondContact O-N 3.5Å; L17-T21 PolarHBondContact O-N 2.93Å; L17-T21 PolarHBondContact O-OG1 3.37Å; L17-L61 HydrophobicContact CB-CD1 3.62Å; L17-L61 HydrophobicContact CD1-CD1 4.11Å; L17-F64 HydrophobicContact CD1-CD1 4.35Å; L17-F64 HydrophobicContact CD1-CE1 4.17Å; L17-F88 HydrophobicContact CD1-CD1 3.69Å; L17-F88 HydrophobicContact CD1-CE1 3.65Å; L17-A89 HydrophobicContact CD1-CB 4.37Å; L17-R92 HydrophobicContact CD2-CB 3.67Å; L17-R92 HydrophobicContact CD2-CG 4.48Å; L17-I93 HydrophobicContact CD2-CG1 4.3Å
18A91.3Very high90.4Very high33 Ų3346 Ų4627%0.27329%0.285SS..Hα-helixtrans-65.5-39.2173.400000111.9G14 S15 K20 T21 L22G14-A18 VanDerWaalsContact O-CB 3.32Å; G14-A18 WeakPolarHBondContact O-CB 3.4Å; G14-A18 PolarHBondContact O-N 3.43Å; S15-A18 PolarHBondContact O-N 3Å; A18-K20 VanDerWaalsContact C-N 3.3Å; A18-K20 PolarHBondContact O-N 2.93Å; A18-T21 WeakPolarHBondContact CA-OG1 3.43Å; A18-T21 PolarHBondContact O-N 3.34Å; A18-T21 PolarHBondContact O-OG1 2.9Å; A18-L22 WeakPolarHBondContact O-CG 3.38Å; A18-L22 PolarHBondContact O-N 3.29Å
19L92.4Very high90.3Very high110 Ų11048.9 Ų48.958%0.57629%0.289SS*.Hα-helixtrans-62.3-41.8173.4-177.264.4000110.5S15 I16 T21 L22 V23S15-L19 VanDerWaalsContact O-CB 3.31Å; S15-L19 WeakPolarHBondContact O-CB 3.27Å; S15-L19 PolarHBondContact O-N 3.34Å; I16-L19 PolarHBondContact O-N 2.75Å; L19-T21 PolarHBondContact O-N 2.99Å; L19-L22 WeakPolarHBondContact O-CB 3.4Å; L19-L22 PolarHBondContact O-N 2.91Å; L19-V23 WeakPolarHBondContact O-CG2 3.25Å; L19-V23 PolarHBondContact O-N 2.94Å
20K90.9Very high90.2Very high32 Ų3252.9 Ų52.914%0.13931%0.307CS..Hα-helixtrans-60.7-44.5176.3-167-162.373.4166.70112.2I16 L17 A18 L22 V23 L24 D57 R92 T96I16-K20 PolarHBondContact O-N 3.19Å; L17-K20 WeakPolarHBondContact O-CB 3.37Å; L17-K20 PolarHBondContact O-N 3.5Å; A18-K20 VanDerWaalsContact C-N 3.3Å; A18-K20 PolarHBondContact O-N 2.93Å; K20-L22 VanDerWaalsContact C-N 3.33Å; K20-L22 PolarHBondContact O-N 3.31Å; K20-V23 PolarHBondContact O-N 3.48Å; K20-L24 PolarHBondContact O-N 2.86Å; K20-D57 VanDerWaalsContact CE-CG 3.47Å; K20-D57 WeakPolarHBondContact CE-OD1 3.33Å; K20-D57 WeakPolarHBondContact CE-OD2 3.38Å; K20-D57 IonicContact NZ-OD1 2.73Å; K20-D57 PolarHBondContact NZ-OD1 2.98Å; K20-D57 IonicContact NZ-OD2 3.09Å; K20-D57 PolarHBondContact NZ-OD2 3.27Å; K20-D57 VanDerWaalsContact NZ-OD2 3.09Å; K20-R92 PolarHBondContact NZ-O 2.74Å; K20-T96 WeakPolarHBondContact CE-OG1 3.27Å; K20-T96 PolarHBondContact NZ-OG1 3.12Å
21T90.2Very high89.9Confident15 Ų1555.2 Ų55.29%0.09232%0.317CS..Hα-helixtrans-64.4-38.2176.749.50000112L17 A18 L19 L24 A25 H54 D57 L58 L61L17-T21 PolarHBondContact O-N 2.93Å; L17-T21 PolarHBondContact O-OG1 3.37Å; A18-T21 WeakPolarHBondContact CA-OG1 3.43Å; A18-T21 PolarHBondContact O-N 3.34Å; A18-T21 PolarHBondContact O-OG1 2.9Å; L19-T21 PolarHBondContact O-N 2.99Å; T21-L24 PolarHBondContact O-N 3.19Å; T21-A25 PolarHBondContact O-N 2.81Å; T21-H54 PolarHBondContact O-CE1 3.4Å; T21-H54 PolarHBondContact O-ND1 2.73Å; T21-D57 HydrophobicContact CG2-CB 4.08Å; T21-D57 WeakPolarHBondContact CG2-OD2 3.26Å; T21-L58 HydrophobicContact CG2-CD2 4.41Å; T21-L61 HydrophobicContact CG2-CD2 3.51Å
22L91.7Very high89.5Confident121 Ų12158.9 Ų58.963%0.63432%0.319SS*.Hα-helixtrans-63.4-42.3174.2-71.8172.4000112.1A18 L19 K20 L24 A25 G26A18-L22 WeakPolarHBondContact O-CG 3.38Å; A18-L22 PolarHBondContact O-N 3.29Å; L19-L22 WeakPolarHBondContact O-CB 3.4Å; L19-L22 PolarHBondContact O-N 2.91Å; K20-L22 VanDerWaalsContact C-N 3.33Å; K20-L22 PolarHBondContact O-N 3.31Å; L22-L24 VanDerWaalsContact C-N 3.34Å; L22-L24 PolarHBondContact O-N 3.26Å; L22-A25 PolarHBondContact O-N 3.09Å; L22-G26 PolarHBondContact O-N 3.42Å
23V91.2Very high89.1Confident96 Ų9659.6 Ų59.658%0.58233%0.327SS*.Hα-helixtrans-61.4-42.6175.2170.80000111L19 K20 G26 A27L19-V23 WeakPolarHBondContact O-CG2 3.25Å; L19-V23 PolarHBondContact O-N 2.94Å; K20-V23 PolarHBondContact O-N 3.48Å; V23-G26 PolarHBondContact O-N 3.07Å; V23-A27 WeakPolarHBondContact O-CB 3.25Å; V23-A27 PolarHBondContact O-N 2.95Å
24L87.6Confident88.6Confident11 Ų1163.7 Ų63.76%0.05835%0.348CS..Hα-helixtrans-64.7-38.9175.6-74.2171.2000112.7K20 T21 L22 A27 T28 D57 T96K20-L24 PolarHBondContact O-N 2.86Å; T21-L24 PolarHBondContact O-N 3.19Å; L22-L24 VanDerWaalsContact C-N 3.34Å; L22-L24 PolarHBondContact O-N 3.26Å; L24-A27 PolarHBondContact O-N 3.06Å; L24-T28 PolarHBondContact O-N 2.9Å; L24-T28 VanDerWaalsContact O-N 3.07Å; L24-T28 PolarHBondContact O-OG1 3.22Å; L24-D57 HydrophobicContact CD1-CB 4.48Å; L24-T96 HydrophobicContact CD1-CG2 4.11Å; L24-T96 HydrophobicContact CD2-CG2 3.98Å; L24-T96 HydrophobicContact CG-CG2 4.44Å
25A89.3Confident87.6Confident32 Ų3264.7 Ų64.726%0.26435%0.353SS..Hα-helixtrans-62.8-46.9174.100000111T21 L22 A27 T28 I29T21-A25 PolarHBondContact O-N 2.81Å; L22-A25 PolarHBondContact O-N 3.09Å; A25-A27 PolarHBondContact O-N 3.31Å; A25-T28 WeakPolarHBondContact O-CB 3.37Å; A25-T28 PolarHBondContact O-N 3.48Å; A25-I29 PolarHBondContact O-N 3.34Å
26G90.1Very high86.3Confident29 Ų2970.8 Ų70.830%0.29937%0.371SS..Hα-helixtrans-60.1-43.9175.200000112.9L22 V23 T28 I29 I30L22-G26 PolarHBondContact O-N 3.42Å; V23-G26 PolarHBondContact O-N 3.07Å; G26-T28 VanDerWaalsContact C-N 3.28Å; G26-T28 PolarHBondContact O-N 2.9Å; G26-I29 PolarHBondContact O-N 3.45Å; G26-I29 VanDerWaalsContact O-N 3.13Å; G26-I30 WeakPolarHBondContact O-CG1 3.43Å; G26-I30 PolarHBondContact O-N 3.18Å
27A87.9Confident84.5Confident34 Ų3469.6 Ų69.628%0.28137%0.367SS..Hα-helixtrans-59.8-38176.300000112.3V23 L24 A25 K31V23-A27 WeakPolarHBondContact O-CB 3.25Å; V23-A27 PolarHBondContact O-N 2.95Å; L24-A27 PolarHBondContact O-N 3.06Å; A25-A27 PolarHBondContact O-N 3.31Å; A27-K31 WeakPolarHBondContact O-CB 3.33Å; A27-K31 WeakPolarHBondContact O-CG 3.37Å; A27-K31 PolarHBondContact O-N 3.15Å
28T85.6Confident82.7Confident11 Ų1175.4 Ų75.47%0.06741%0.408CS..Hα-helixtrans-62.8-44.2175-53.60000111.4L24 A25 G26 K31 R32 I50 Q51L24-T28 PolarHBondContact O-N 2.9Å; L24-T28 VanDerWaalsContact O-N 3.07Å; L24-T28 PolarHBondContact O-OG1 3.22Å; A25-T28 WeakPolarHBondContact O-CB 3.37Å; A25-T28 PolarHBondContact O-N 3.48Å; G26-T28 VanDerWaalsContact C-N 3.28Å; G26-T28 PolarHBondContact O-N 2.9Å; T28-K31 PolarHBondContact O-N 2.86Å; T28-R32 VanDerWaalsContact O-CG 3.28Å; T28-R32 WeakPolarHBondContact O-CG 3.31Å; T28-R32 PolarHBondContact O-N 3.07Å; T28-I50 WeakPolarHBondContact OG1-CG2 3.38Å; T28-Q51 HydrophobicContact CG2-CG 3.78Å
29I85.7Confident80.8Confident104 Ų10479.5 Ų79.553%0.53343%0.433SS..Hα-helixtrans-64.2-48.5179-63.8168.3000110.3A25 G26 K31 R32 L33A25-I29 PolarHBondContact O-N 3.34Å; G26-I29 PolarHBondContact O-N 3.45Å; G26-I29 VanDerWaalsContact O-N 3.13Å; I29-K31 VanDerWaalsContact C-N 3.3Å; I29-K31 PolarHBondContact O-N 3.36Å; I29-R32 WeakPolarHBondContact O-CB 3.44Å; I29-R32 PolarHBondContact O-N 2.97Å; I29-R32 VanDerWaalsContact O-N 3.15Å; I29-L33 HydrophobicContact CG2-CD1 4.19Å; I29-L33 WeakPolarHBondContact O-CG 3.23Å; I29-L33 PolarHBondContact O-N 2.89Å
30I87.5Confident79.1Confident97 Ų9782.6 Ų82.650%0.49744%0.443SS..Hα-helixtrans-57.9-44.1178.4-65.8166.4000110.6G26 R32 L33 Q34G26-I30 WeakPolarHBondContact O-CG1 3.43Å; G26-I30 PolarHBondContact O-N 3.18Å; I30-R32 PolarHBondContact O-N 3.13Å; I30-L33 PolarHBondContact O-N 2.97Å; I30-Q34 HydrophobicContact CG2-CG 4.41Å; I30-Q34 WeakPolarHBondContact O-CG 3.33Å; I30-Q34 PolarHBondContact O-N 2.98Å
31K84.5Confident77.7Confident76 Ų7689.5 Ų89.533%0.3348%0.481SS..Hα-helixtrans-67.4-34.7178.3-76.2-71.8-175-177.30113.5A27 T28 I29 L33 T35 V47 I50A27-K31 WeakPolarHBondContact O-CB 3.33Å; A27-K31 WeakPolarHBondContact O-CG 3.37Å; A27-K31 PolarHBondContact O-N 3.15Å; T28-K31 PolarHBondContact O-N 2.86Å; I29-K31 VanDerWaalsContact C-N 3.3Å; I29-K31 PolarHBondContact O-N 3.36Å; K31-L33 VanDerWaalsContact C-N 3.32Å; K31-T35 VanDerWaalsContact O-CB 3.27Å; K31-T35 WeakPolarHBondContact O-CB 3.16Å; K31-T35 PolarHBondContact O-N 3.19Å; K31-T35 PolarHBondContact O-OG1 3.34Å; K31-V47 HydrophobicContact CB-CG2 4.12Å; K31-I50 HydrophobicContact CB-CD1 4.29Å; K31-I50 HydrophobicContact CG-CD1 3.7Å
32R82.2Confident76.5Confident138 Ų13896.4 Ų96.452%0.52151%0.512SS..Hα-helixtrans-66.5-32171.6-73.7174.1-176.1-96.519.2112.6T28 I29 I30 V47T28-R32 VanDerWaalsContact O-CG 3.28Å; T28-R32 WeakPolarHBondContact O-CG 3.31Å; T28-R32 PolarHBondContact O-N 3.07Å; I29-R32 WeakPolarHBondContact O-CB 3.44Å; I29-R32 PolarHBondContact O-N 2.97Å; I29-R32 VanDerWaalsContact O-N 3.15Å; I30-R32 PolarHBondContact O-N 3.13Å; R32-V47 HydrophobicContact CG-CG1 3.87Å; R32-V47 HydrophobicContact CG-CG2 4.4Å
33L83.8Confident75.3Confident136 Ų13693.6 Ų93.671%0.71250%0.501SS*.Hα-helixtrans-76.9-39.9176.5-66.8174.8000112.1I29 I30 K31I29-L33 HydrophobicContact CG2-CD1 4.19Å; I29-L33 WeakPolarHBondContact O-CG 3.23Å; I29-L33 PolarHBondContact O-N 2.89Å; I30-L33 PolarHBondContact O-N 2.97Å; K31-L33 VanDerWaalsContact C-N 3.32Å
34Q81.6Confident74.5Confident129 Ų12992.4 Ų92.460%0.60349%0.489SS*.Hα-helixtrans-67.4-43.3176.7-73.6179.3-1700111.9I30 K36I30-Q34 HydrophobicContact CG2-CG 4.41Å; I30-Q34 WeakPolarHBondContact O-CG 3.33Å; I30-Q34 PolarHBondContact O-N 2.98Å; Q34-K36 PolarHBondContact O-N 3.35Å
35T70.3Confident74.1Confident28 Ų2895.8 Ų95.817%0.17251%0.511CS..SBendtrans-87.4104.4178.3-37.40000107.1K31 S37 H44K31-T35 VanDerWaalsContact O-CB 3.27Å; K31-T35 WeakPolarHBondContact O-CB 3.16Å; K31-T35 PolarHBondContact O-N 3.19Å; K31-T35 PolarHBondContact O-OG1 3.34Å; T35-S37 PolarHBondContact O-N 3.33Å; T35-H44 HydrophobicContact CG2-CB 3.73Å
36K63.3Low73.6Confident195 Ų19597.8 Ų97.885%0.84852%0.518SS*.  trans-63.134.5172.7-65.8-172.5177.9-1770113.5Q34 S38Q34-K36 PolarHBondContact O-N 3.35Å; K36-S38 PolarHBondContact O-N 3.49Å
37S55.8Low73.2Confident33 Ų3396.6 Ų96.623%0.23151%0.505CS..G310 helixtrans-74.7-0.1-176.1-154.80000113.2T35 C39 K40 Q42 H44T35-S37 PolarHBondContact O-N 3.33Å; S37-C39 PolarHBondContact O-N 3.37Å; S37-C39 VanDerWaalsContact O-N 3.09Å; S37-K40 PolarHBondContact O-N 3.49Å; S37-Q42 PolarHBondContact OG-O 3.06Å; S37-H44 PolarHBondContact OG-N 3.03Å
38S53.2Low72.9Confident123 Ų12398 Ų9886%0.8651%0.505SS*.G310 helixtrans-66.8-6.9177.1-155.60000113.3K36K36-S38 PolarHBondContact O-N 3.49Å
39C52.9Low72.7Confident119 Ų119100 Ų10080%0.80452%0.52SS*.G310 helixtrans-112.67.4-176-58.20000114.7S37S37-C39 PolarHBondContact O-N 3.37Å; S37-C39 VanDerWaalsContact O-N 3.09Å
40K56Low72.6Confident176 Ų17696 Ų9677%0.76550%0.499SS*.SBendtrans-133.7131.1171.6-71.7-175.5177.4-178.20108.2S37 Q42S37-K40 PolarHBondContact O-N 3.49Å; K40-Q42 PolarHBondContact O-N 3.1Å
41D61.6Low72.5Confident177 Ų17794.2 Ų94.295%0.94749%0.489SS*.SBendtrans-55.5-0.3-168.5-65.4-52.4000116.9
42Q64.6Low72.4Confident160 Ų16097.6 Ų97.675%0.74850%0.5SS*.SBendtrans-117.9119.8178.5-64.4-168.8-12.700111S37 K40 H44S37-Q42 PolarHBondContact OG-O 3.06Å; K40-Q42 PolarHBondContact O-N 3.1Å; Q42-H44 PolarHBondContact O-N 3.03Å
43P67.5Low72.5Confident61 Ų6191 Ų9140%0.39648%0.475SS..  trans-63.6135.1173.319.7-24000110Q48P43-Q48 HydrophobicContact CB-CG 4.01Å; P43-Q48 HydrophobicContact CG-CG 3.85Å; P43-Q48 PolarHBondContact O-NE2 2.86Å
44H73.6Confident72.7Confident72 Ų7286.7 Ų86.733%0.33345%0.451SS..  trans-50.7139.5178-158.8-90.1000111.8T35 S37 Q42 D46 V47 Q48T35-H44 HydrophobicContact CG2-CB 3.73Å; S37-H44 PolarHBondContact OG-N 3.03Å; Q42-H44 PolarHBondContact O-N 3.03Å; H44-D46 IonicContact CE1-OD1 2.74Å; H44-D46 IonicContact CE1-OD2 3.81Å; H44-D46 PolarHBondContact CE1-OD2 3.15Å; H44-D46 IonicContact ND1-OD1 3.11Å; H44-D46 IonicContact ND1-OD2 3.33Å; H44-D46 PolarHBondContact ND1-OD2 3.1Å; H44-D46 PolarHBondContact O-N 2.74Å; H44-D46 VanDerWaalsContact O-N 3.12Å; H44-V47 HydrophobicContact CB-CG2 4.28Å; H44-V47 WeakPolarHBondContact O-CB 3.47Å; H44-V47 PolarHBondContact O-N 3.46Å; H44-Q48 PolarHBondContact O-N 3.46Å; H44-Q48 VanDerWaalsContact O-N 3.12Å
45P79.8Confident73Confident81 Ų8183.1 Ų83.153%0.52644%0.44SS..Hα-helixtrans-53.2-36.7-17619.3-33.5000113.3V47 Q48 S49P45-V47 PolarHBondContact O-N 3.43Å; P45-Q48 PolarHBondContact O-N 3.46Å; P45-S49 WeakPolarHBondContact O-CB 2.89Å; P45-S49 PolarHBondContact O-N 3.31Å; P45-S49 PolarHBondContact O-OG 3.49Å
46D78.4Confident73.8Confident75 Ų7583.1 Ų83.140%0.40144%0.439SS..Hα-helixtrans-63-41.9177.1-55-4.7000112.5H44 Q48 S49 I50H44-D46 IonicContact CE1-OD1 2.74Å; H44-D46 IonicContact CE1-OD2 3.81Å; H44-D46 PolarHBondContact CE1-OD2 3.15Å; H44-D46 IonicContact ND1-OD1 3.11Å; H44-D46 IonicContact ND1-OD2 3.33Å; H44-D46 PolarHBondContact ND1-OD2 3.1Å; H44-D46 PolarHBondContact O-N 2.74Å; H44-D46 VanDerWaalsContact O-N 3.12Å; D46-Q48 VanDerWaalsContact C-N 3.34Å; D46-S49 PolarHBondContact O-N 2.99Å; D46-I50 WeakPolarHBondContact O-CG1 3.24Å; D46-I50 PolarHBondContact O-N 3.11Å; D46-I50 VanDerWaalsContact O-N 3.09Å
47V82.2Confident74.9Confident4 Ų474 Ų742%0.02440%0.399CS..Hα-helixtrans-67-40.6179.2171.70000109.9K31 R32 H44 P45 S49 Q51K31-V47 HydrophobicContact CB-CG2 4.12Å; R32-V47 HydrophobicContact CG-CG1 3.87Å; R32-V47 HydrophobicContact CG-CG2 4.4Å; H44-V47 HydrophobicContact CB-CG2 4.28Å; H44-V47 WeakPolarHBondContact O-CB 3.47Å; H44-V47 PolarHBondContact O-N 3.46Å; P45-V47 PolarHBondContact O-N 3.43Å; V47-S49 VanDerWaalsContact C-N 3.34Å; V47-Q51 WeakPolarHBondContact O-CB 3.47Å; V47-Q51 VanDerWaalsContact O-CG 3.24Å; V47-Q51 WeakPolarHBondContact O-CG 3.31Å; V47-Q51 PolarHBondContact O-N 3.32Å; V47-Q51 VanDerWaalsContact O-N 3.07Å
48Q82.2Confident76.4Confident62 Ų6275.8 Ų75.829%0.2941%0.406SS..Hα-helixtrans-64.2-39.7174.4-63.8-17236.300111.9P43 H44 P45 D46 Q51 R52P43-Q48 HydrophobicContact CB-CG 4.01Å; P43-Q48 HydrophobicContact CG-CG 3.85Å; P43-Q48 PolarHBondContact O-NE2 2.86Å; H44-Q48 PolarHBondContact O-N 3.46Å; H44-Q48 VanDerWaalsContact O-N 3.12Å; P45-Q48 PolarHBondContact O-N 3.46Å; D46-Q48 VanDerWaalsContact C-N 3.34Å; Q48-Q51 PolarHBondContact O-N 3.21Å; Q48-R52 VanDerWaalsContact O-CG 3.31Å; Q48-R52 WeakPolarHBondContact O-CG 3.45Å; Q48-R52 PolarHBondContact O-N 3.47Å
49S81.2Confident78Confident54 Ų5475.2 Ų75.238%0.37839%0.39SS..Hα-helixtrans-64-44.6-179.4-59.90000111.7P45 D46 V47 R52 C53P45-S49 WeakPolarHBondContact O-CB 2.89Å; P45-S49 PolarHBondContact O-N 3.31Å; P45-S49 PolarHBondContact O-OG 3.49Å; D46-S49 PolarHBondContact O-N 2.99Å; V47-S49 VanDerWaalsContact C-N 3.34Å; S49-R52 PolarHBondContact O-N 2.95Å; S49-C53 PolarHBondContact O-N 3.19Å
50I82.9Confident79.6Confident20 Ų2069.7 Ų69.710%0.10335%0.353CS..Hα-helixtrans-66.5-39.7176.2-59.9169.4000110.8T28 K31 D46 C53 H54 L100T28-I50 WeakPolarHBondContact OG1-CG2 3.38Å; K31-I50 HydrophobicContact CB-CD1 4.29Å; K31-I50 HydrophobicContact CG-CD1 3.7Å; D46-I50 WeakPolarHBondContact O-CG1 3.24Å; D46-I50 PolarHBondContact O-N 3.11Å; D46-I50 VanDerWaalsContact O-N 3.09Å; I50-C53 WeakPolarHBondContact O-CB 3.39Å; I50-C53 PolarHBondContact O-N 2.93Å; I50-H54 WeakPolarHBondContact O-CB 3.37Å; I50-H54 PolarHBondContact O-N 3.5Å; I50-L100 HydrophobicContact CG1-CD2 4.44Å
51Q84.8Confident81.2Confident60 Ų6061.8 Ų61.828%0.2832%0.319SS..Hα-helixtrans-62.6-42.9176.5-76.8170.522.700112.9T28 V47 Q48 C53 H54 S55T28-Q51 HydrophobicContact CG2-CG 3.78Å; V47-Q51 WeakPolarHBondContact O-CB 3.47Å; V47-Q51 VanDerWaalsContact O-CG 3.24Å; V47-Q51 WeakPolarHBondContact O-CG 3.31Å; V47-Q51 PolarHBondContact O-N 3.32Å; V47-Q51 VanDerWaalsContact O-N 3.07Å; Q48-Q51 PolarHBondContact O-N 3.21Å; Q51-C53 VanDerWaalsContact C-N 3.32Å; Q51-C53 PolarHBondContact O-N 2.86Å; Q51-H54 PolarHBondContact O-N 3.36Å; Q51-S55 PolarHBondContact O-N 3.09Å
52R83.6Confident82.6Confident147 Ų14757.8 Ų57.856%0.55530%0.3SS*.Hα-helixtrans-62.1-42.1175.1-70.5175.7-165.8-175.26.5111.1Q48 S49 H54 S55 N56 Y99Q48-R52 VanDerWaalsContact O-CG 3.31Å; Q48-R52 WeakPolarHBondContact O-CG 3.45Å; Q48-R52 PolarHBondContact O-N 3.47Å; S49-R52 PolarHBondContact O-N 2.95Å; R52-H54 VanDerWaalsContact C-N 3.32Å; R52-H54 PolarHBondContact O-N 3.45Å; R52-S55 PolarHBondContact O-N 3.44Å; R52-N56 WeakPolarHBondContact O-CB 3.28Å; R52-N56 PolarHBondContact O-N 2.87Å; R52-Y99 WeakPolarHBondContact CB-OH 3.34Å
53C84.6Confident83.8Confident0 Ų052.5 Ų52.50%028%0.28CS..Hα-helixtrans-61-41.2173.9-173.60000111.9S49 I50 Q51 D57 Y99S49-C53 PolarHBondContact O-N 3.19Å; I50-C53 WeakPolarHBondContact O-CB 3.39Å; I50-C53 PolarHBondContact O-N 2.93Å; Q51-C53 VanDerWaalsContact C-N 3.32Å; Q51-C53 PolarHBondContact O-N 2.86Å; C53-D57 WeakPolarHBondContact O-CB 3.38Å; C53-D57 PolarHBondContact O-N 2.94Å; C53-D57 VanDerWaalsContact O-N 3.15Å; C53-Y99 HydrophobicContact CB-CD1 3.7Å; C53-Y99 HydrophobicContact CB-CE1 3.93Å; C53-Y99 HydrophobicContact CB-CG 4.43Å
54H88Confident84.9Confident44 Ų4449.6 Ų49.620%0.20426%0.261CS..Hα-helixtrans-67.6-46178.5-174.369.7000112.1T21 I50 Q51 R52 N56 D57 L58T21-H54 PolarHBondContact O-CE1 3.4Å; T21-H54 PolarHBondContact O-ND1 2.73Å; I50-H54 WeakPolarHBondContact O-CB 3.37Å; I50-H54 PolarHBondContact O-N 3.5Å; Q51-H54 PolarHBondContact O-N 3.36Å; R52-H54 VanDerWaalsContact C-N 3.32Å; R52-H54 PolarHBondContact O-N 3.45Å; H54-N56 PolarHBondContact O-N 2.73Å; H54-D57 WeakPolarHBondContact O-CB 3.49Å; H54-D57 PolarHBondContact O-N 3.26Å; H54-D57 VanDerWaalsContact O-N 3.1Å; H54-L58 PolarHBondContact O-N 2.93Å
55S87.3Confident85.8Confident54 Ų5449.1 Ų49.138%0.37826%0.26SS..Hα-helixtrans-58.2-48.2176.4-168.20000111.4Q51 R52 D57 L58 E59Q51-S55 PolarHBondContact O-N 3.09Å; R52-S55 PolarHBondContact O-N 3.44Å; S55-D57 PolarHBondContact O-N 3.48Å; S55-L58 PolarHBondContact O-N 3.45Å; S55-L58 VanDerWaalsContact O-N 3.12Å; S55-E59 WeakPolarHBondContact O-CG 3.39Å; S55-E59 PolarHBondContact O-N 3.03Å; S55-E59 PolarHBondContact OG-OE1 3.47Å
56N85.6Confident86.4Confident29 Ų2951.6 Ų51.616%0.15526%0.263CS..Hα-helixtrans-60.4-31.8177.6-177.2-91.7000112.7R52 H54 N60 R92 H95R52-N56 WeakPolarHBondContact O-CB 3.28Å; R52-N56 PolarHBondContact O-N 2.87Å; H54-N56 PolarHBondContact O-N 2.73Å; N56-N60 PolarHBondContact O-ND2 3.49Å; N56-R92 PolarHBondContact O-NH2 3.37Å; N56-R92 PolarHBondContact OD1-NH1 3.33Å; N56-R92 PolarHBondContact OD1-NH2 3.39Å; N56-H95 PolarHBondContact OD1-CE1 3.48Å; N56-H95 PolarHBondContact OD1-NE2 2.79Å
57D87Confident87Confident2 Ų249.2 Ų49.21%0.01125%0.25CS..Hα-helixtrans-71.5-41.9175.7-148.439.9000113K20 T21 L24 C53 H54 S55 N60 L61 R92K20-D57 VanDerWaalsContact CE-CG 3.47Å; K20-D57 WeakPolarHBondContact CE-OD1 3.33Å; K20-D57 WeakPolarHBondContact CE-OD2 3.38Å; K20-D57 IonicContact NZ-OD1 2.73Å; K20-D57 PolarHBondContact NZ-OD1 2.98Å; K20-D57 IonicContact NZ-OD2 3.09Å; K20-D57 PolarHBondContact NZ-OD2 3.27Å; K20-D57 VanDerWaalsContact NZ-OD2 3.09Å; T21-D57 HydrophobicContact CG2-CB 4.08Å; T21-D57 WeakPolarHBondContact CG2-OD2 3.26Å; L24-D57 HydrophobicContact CD1-CB 4.48Å; C53-D57 WeakPolarHBondContact O-CB 3.38Å; C53-D57 PolarHBondContact O-N 2.94Å; C53-D57 VanDerWaalsContact O-N 3.15Å; H54-D57 WeakPolarHBondContact O-CB 3.49Å; H54-D57 PolarHBondContact O-N 3.26Å; H54-D57 VanDerWaalsContact O-N 3.1Å; S55-D57 PolarHBondContact O-N 3.48Å; D57-N60 PolarHBondContact O-N 3.31Å; D57-L61 WeakPolarHBondContact O-CB 3.39Å; D57-L61 PolarHBondContact O-N 3.03Å; D57-R92 IonicContact OD1-CZ 3.43Å; D57-R92 IonicContact OD1-NE 3.99Å; D57-R92 PolarHBondContact OD1-NE 3.39Å; D57-R92 VanDerWaalsContact OD1-NE 3.11Å; D57-R92 IonicContact OD1-NH2 3.44Å; D57-R92 PolarHBondContact OD1-NH2 3.42Å
58L88Confident87.3Confident71 Ų7149 Ų4937%0.37225%0.249SC..Hα-helixtrans-64.4-42.4174.2-69.2178.1000112.3T21 H54 S55 N60 L61 V62T21-L58 HydrophobicContact CG2-CD2 4.41Å; H54-L58 PolarHBondContact O-N 2.93Å; S55-L58 PolarHBondContact O-N 3.45Å; S55-L58 VanDerWaalsContact O-N 3.12Å; L58-N60 PolarHBondContact O-N 2.92Å; L58-N60 VanDerWaalsContact O-N 3.16Å; L58-L61 PolarHBondContact O-N 3.5Å; L58-V62 WeakPolarHBondContact O-CB 3.43Å; L58-V62 WeakPolarHBondContact O-CG2 3.47Å; L58-V62 PolarHBondContact O-N 3.4Å
59E86.7Confident87.7Confident112 Ų11251.1 Ų51.152%0.52326%0.262SS..Hα-helixtrans-57.1-31.1179.4-75.4162.5-149.300113.1S55 P63S55-E59 WeakPolarHBondContact O-CG 3.39Å; S55-E59 PolarHBondContact O-N 3.03Å; S55-E59 PolarHBondContact OG-OE1 3.47Å; E59-P63 WeakPolarHBondContact O-CD 3.31Å; E59-P63 VanDerWaalsContact O-CG 3.27Å; E59-P63 WeakPolarHBondContact O-CG 3.47Å
60N86.3Confident88Confident3 Ų351 Ų512%0.01626%0.257CS..Hα-helixtrans-96.4-36.5178.2-74.8-80.4000113.2N56 D57 L58 F64 F88 R92 F112 N119N56-N60 PolarHBondContact O-ND2 3.49Å; D57-N60 PolarHBondContact O-N 3.31Å; L58-N60 PolarHBondContact O-N 2.92Å; L58-N60 VanDerWaalsContact O-N 3.16Å; N60-F64 WeakPolarHBondContact O-CB 3.28Å; N60-F64 PolarHBondContact O-N 3.41Å; N60-F88 HydrophobicContact CB-CE2 4.45Å; N60-F88 HydrophobicContact CB-CZ 4.15Å; N60-F88 WeakPolarHBondContact O-CZ 3.32Å; N60-R92 PolarHBondContact ND2-NH1 3.27Å; N60-R92 VanDerWaalsContact ND2-NH1 3.2Å; N60-F112 VanDerWaalsContact ND2-CE2 3.27Å; N60-F112 WeakPolarHBondContact ND2-CE2 3.33Å; N60-N119 PolarHBondContact O-ND2 2.86Å
61L88.8Confident88.2Confident10 Ų1050 Ų505%0.05225%0.252CS..Hα-helixtrans-68.5-40.8-177.1-177.763.1000111.7L17 T21 D57 L58 F64 L65L17-L61 HydrophobicContact CB-CD1 3.62Å; L17-L61 HydrophobicContact CD1-CD1 4.11Å; T21-L61 HydrophobicContact CG2-CD2 3.51Å; D57-L61 WeakPolarHBondContact O-CB 3.39Å; D57-L61 PolarHBondContact O-N 3.03Å; L58-L61 PolarHBondContact O-N 3.5Å; L61-F64 PolarHBondContact O-N 3.48Å; L61-L65 HydrophobicContact CD1-CD1 4.07Å; L61-L65 HydrophobicContact CD1-CD2 4.36Å; L61-L65 HydrophobicContact CD1-CG 3.93Å; L61-L65 HydrophobicContact CD2-CD1 4.33Å; L61-L65 HydrophobicContact CG-CD1 3.86Å; L61-L65 HydrophobicContact CG-CG 4.14Å; L61-L65 WeakPolarHBondContact O-CG 2.77Å; L61-L65 PolarHBondContact O-N 3.45Å
62V91Very high88.3Confident93 Ų9347.6 Ų47.656%0.56424%0.241SC*.Hα-helixtrans-62-51-177.61720000111.4L58 F64 L65 F66L58-V62 WeakPolarHBondContact O-CB 3.43Å; L58-V62 WeakPolarHBondContact O-CG2 3.47Å; L58-V62 PolarHBondContact O-N 3.4Å; V62-F64 VanDerWaalsContact C-N 3.32Å; V62-F64 PolarHBondContact O-N 3.24Å; V62-L65 PolarHBondContact O-N 3.15Å; V62-F66 PolarHBondContact O-N 3.35Å; V62-F66 VanDerWaalsContact O-N 3.12Å
63P90.4Very high88.4Confident48 Ų4844.1 Ų44.131%0.31224%0.24SC..Hα-helixtrans-58.6-41.5172.8-25.434.4000112.8E59 L65 F66 L67E59-P63 WeakPolarHBondContact O-CD 3.31Å; E59-P63 VanDerWaalsContact O-CG 3.27Å; E59-P63 WeakPolarHBondContact O-CG 3.47Å; P63-L65 PolarHBondContact O-N 2.99Å; P63-F66 PolarHBondContact O-N 2.89Å; P63-L67 HydrophobicContact CB-CD1 4.39Å; P63-L67 WeakPolarHBondContact O-CB 3.44Å; P63-L67 WeakPolarHBondContact O-CG 3.38Å; P63-L67 PolarHBondContact O-N 2.84Å
64F91.1Very high88.3Confident0 Ų044.3 Ų44.30%024%0.241CC..Hα-helixtrans-63.8-43.6-178.7175.2-98.5000113F10 L17 N60 L61 V62 G68 F85 F88 N119 L122F10-F64 HydrophobicContact CD2-CE1 4.43Å; F10-F64 HydrophobicContact CE2-CE1 4.17Å; L17-F64 HydrophobicContact CD1-CD1 4.35Å; L17-F64 HydrophobicContact CD1-CE1 4.17Å; N60-F64 WeakPolarHBondContact O-CB 3.28Å; N60-F64 PolarHBondContact O-N 3.41Å; L61-F64 PolarHBondContact O-N 3.48Å; V62-F64 VanDerWaalsContact C-N 3.32Å; V62-F64 PolarHBondContact O-N 3.24Å; F64-G68 WeakPolarHBondContact O-CA 3.4Å; F64-G68 PolarHBondContact O-N 2.97Å; F64-F85 AromaticContact CE2-CD1 3.66Å; F64-F85 HydrophobicContact CE2-CD1 3.66Å; F64-F85 HydrophobicContact CE2-CE1 4.32Å; F64-F85 HydrophobicContact CZ-CB 4.24Å; F64-F85 AromaticContact CZ-CD1 3.53Å; F64-F85 HydrophobicContact CZ-CD1 3.53Å; F64-F85 HydrophobicContact CZ-CE1 4.3Å; F64-F85 HydrophobicContact CZ-CG 4.23Å; F64-F88 HydrophobicContact CB-CD1 4.14Å; F64-F88 HydrophobicContact CB-CE1 3.46Å; F64-F88 VanDerWaalsContact CB-CE1 3.46Å; F64-F88 HydrophobicContact CB-CE2 4.03Å; F64-F88 HydrophobicContact CB-CZ 3.41Å; F64-F88 VanDerWaalsContact CB-CZ 3.41Å; F64-F88 AromaticContact CD1-CD1 3.74Å; F64-F88 HydrophobicContact CD1-CD1 3.74Å; F64-F88 AromaticContact CD1-CE1 3.57Å; F64-F88 HydrophobicContact CD1-CE1 3.57Å; F64-F88 HydrophobicContact CD1-CZ 4.41Å; F64-F88 HydrophobicContact CD2-CB 4.06Å; F64-F88 AromaticContact CD2-CD1 3.29Å; F64-F88 HydrophobicContact CD2-CD1 3.29Å; F64-F88 AromaticContact CD2-CD2 3.86Å; F64-F88 HydrophobicContact CD2-CD2 3.86Å; F64-F88 AromaticContact CD2-CE1 3.57Å; F64-F88 HydrophobicContact CD2-CE1 3.57Å; F64-F88 HydrophobicContact CD2-CE2 4.12Å; F64-F88 AromaticContact CD2-CG 3.45Å; F64-F88 HydrophobicContact CD2-CG 3.45Å; F64-F88 VanDerWaalsContact CD2-CG 3.45Å; F64-F88 AromaticContact CD2-CZ 3.99Å; F64-F88 HydrophobicContact CD2-CZ 3.99Å; F64-F88 AromaticContact CE1-CD1 3.89Å; F64-F88 HydrophobicContact CE1-CD1 3.89Å; F64-F88 HydrophobicContact CE1-CE1 4.17Å; F64-F88 HydrophobicContact CE2-CB 3.69Å; F64-F88 AromaticContact CE2-CD1 3.44Å; F64-F88 HydrophobicContact CE2-CD1 3.44Å; F64-F88 VanDerWaalsContact CE2-CD1 3.44Å; F64-F88 HydrophobicContact CE2-CD2 4.37Å; F64-F88 HydrophobicContact CE2-CE1 4.15Å; F64-F88 AromaticContact CE2-CG 3.57Å; F64-F88 HydrophobicContact CE2-CG 3.57Å; F64-F88 AromaticContact CG-CD1 3.43Å; F64-F88 HydrophobicContact CG-CD1 3.43Å; F64-F88 VanDerWaalsContact CG-CD1 3.43Å; F64-F88 HydrophobicContact CG-CD2 4.41Å; F64-F88 AromaticContact CG-CE1 3.22Å; F64-F88 HydrophobicContact CG-CE1 3.22Å; F64-F88 HydrophobicContact CG-CE2 4.26Å; F64-F88 HydrophobicContact CG-CG 4.04Å; F64-F88 AromaticContact CG-CZ 3.7Å; F64-F88 HydrophobicContact CG-CZ 3.7Å; F64-F88 HydrophobicContact CZ-CB 4.36Å; F64-F88 AromaticContact CZ-CD1 3.74Å; F64-F88 HydrophobicContact CZ-CD1 3.74Å; F64-F88 HydrophobicContact CZ-CE1 4.42Å; F64-F88 HydrophobicContact CZ-CG 4.28Å; F64-N119 VanDerWaalsContact CA-OD1 3.29Å; F64-N119 WeakPolarHBondContact CA-OD1 3.44Å; F64-N119 WeakPolarHBondContact CB-OD1 3.3Å; F64-N119 PolarHBondContact N-OD1 3.15Å; F64-L122 HydrophobicContact CD2-CD1 4.13Å; F64-L122 HydrophobicContact CE2-CD1 4.26Å
65L91.5Very high87.7Confident62 Ų6248.5 Ų48.533%0.32527%0.265SS..Hα-helixtrans-65.6-41.7177.6-70.3176.2000111.1F10 L61 V62 P63 L69F10-L65 HydrophobicContact CE2-CD2 4.34Å; F10-L65 HydrophobicContact CZ-CD2 4.04Å; F10-L65 WeakPolarHBondContact CZ-O 3.45Å; L61-L65 HydrophobicContact CD1-CD1 4.07Å; L61-L65 HydrophobicContact CD1-CD2 4.36Å; L61-L65 HydrophobicContact CD1-CG 3.93Å; L61-L65 HydrophobicContact CD2-CD1 4.33Å; L61-L65 HydrophobicContact CG-CD1 3.86Å; L61-L65 HydrophobicContact CG-CG 4.14Å; L61-L65 WeakPolarHBondContact O-CG 2.77Å; L61-L65 PolarHBondContact O-N 3.45Å; V62-L65 PolarHBondContact O-N 3.15Å; P63-L65 PolarHBondContact O-N 2.99Å; L65-L69 VanDerWaalsContact O-CB 3.3Å; L65-L69 WeakPolarHBondContact O-CB 3.18Å; L65-L69 PolarHBondContact O-N 2.99Å
66F92.4Very high87.1Confident134 Ų13446.9 Ų46.959%0.58825%0.254SS*.Hα-helixtrans-67.9-51.2179-171.8-104.6000112V62 P63 G68 L69 L70V62-F66 PolarHBondContact O-N 3.35Å; V62-F66 VanDerWaalsContact O-N 3.12Å; P63-F66 PolarHBondContact O-N 2.89Å; F66-G68 PolarHBondContact O-N 3.12Å; F66-L69 PolarHBondContact O-N 3.2Å; F66-L70 HydrophobicContact CD1-CD1 3.88Å; F66-L70 HydrophobicContact CE1-CD1 3.53Å; F66-L70 HydrophobicContact CE1-CG 4.33Å; F66-L70 HydrophobicContact CZ-CD1 4.16Å; F66-L70 WeakPolarHBondContact O-CG 2.98Å; F66-L70 PolarHBondContact O-N 2.99Å
67L91.4Very high86.9Confident24 Ų2449.2 Ų49.213%0.12627%0.271CS..Hα-helixtrans-67.4-36.3179.4-66.7173.5000112.3P63 L69 L70 Y71 N119 L122 A123P63-L67 HydrophobicContact CB-CD1 4.39Å; P63-L67 WeakPolarHBondContact O-CB 3.44Å; P63-L67 WeakPolarHBondContact O-CG 3.38Å; P63-L67 PolarHBondContact O-N 2.84Å; L67-L69 VanDerWaalsContact C-N 3.34Å; L67-L70 HydrophobicContact CD2-CD1 4.37Å; L67-L70 PolarHBondContact O-N 3.37Å; L67-Y71 VanDerWaalsContact O-CB 3.32Å; L67-Y71 WeakPolarHBondContact O-CB 3.31Å; L67-Y71 PolarHBondContact O-N 3.11Å; L67-N119 HydrophobicContact CD1-CB 4.16Å; L67-N119 VanDerWaalsContact CD1-O 3.29Å; L67-N119 WeakPolarHBondContact CD1-O 3.32Å; L67-L122 HydrophobicContact CB-CB 4.03Å; L67-L122 HydrophobicContact CD1-CB 4.46Å; L67-A123 HydrophobicContact CD1-CB 3.93Å; L67-A123 HydrophobicContact CD2-CB 3.84Å
68G88.6Confident86.7Confident0 Ų049.6 Ų49.60%027%0.274CS..Hα-helixtrans-67.1-36.1175.300000112.3F64 F66 C72F64-G68 WeakPolarHBondContact O-CA 3.4Å; F64-G68 PolarHBondContact O-N 2.97Å; F66-G68 PolarHBondContact O-N 3.12Å; G68-C72 WeakPolarHBondContact O-CB 3.27Å; G68-C72 PolarHBondContact O-N 3.12Å; G68-C72 PolarHBondContact O-SG 3.15Å
69L89.7Confident86.4Confident106 Ų10649.9 Ų49.956%0.55528%0.279SS*.Hα-helixtrans-66.4-45172.1-175.866.5000111.3F10 L65 F66 L67 Y71 C72 S73F10-L69 HydrophobicContact CE1-CB 4.48Å; F10-L69 HydrophobicContact CZ-CB 4.46Å; L65-L69 VanDerWaalsContact O-CB 3.3Å; L65-L69 WeakPolarHBondContact O-CB 3.18Å; L65-L69 PolarHBondContact O-N 2.99Å; F66-L69 PolarHBondContact O-N 3.2Å; L67-L69 VanDerWaalsContact C-N 3.34Å; L69-Y71 PolarHBondContact O-N 3.16Å; L69-C72 WeakPolarHBondContact O-CB 3.34Å; L69-C72 PolarHBondContact O-N 2.94Å; L69-S73 PolarHBondContact O-N 3.38Å; L69-S73 PolarHBondContact O-OG 2.96Å
70L89.4Confident86.3Confident52 Ų5246.8 Ų46.827%0.27227%0.268SS..Hα-helixtrans-59-46.7174.6-72.5175.8000111.5F66 L67 C72 S73 T74 F130F66-L70 HydrophobicContact CD1-CD1 3.88Å; F66-L70 HydrophobicContact CE1-CD1 3.53Å; F66-L70 HydrophobicContact CE1-CG 4.33Å; F66-L70 HydrophobicContact CZ-CD1 4.16Å; F66-L70 WeakPolarHBondContact O-CG 2.98Å; F66-L70 PolarHBondContact O-N 2.99Å; L67-L70 HydrophobicContact CD2-CD1 4.37Å; L67-L70 PolarHBondContact O-N 3.37Å; L70-C72 VanDerWaalsContact C-N 3.27Å; L70-C72 PolarHBondContact O-N 2.9Å; L70-S73 WeakPolarHBondContact O-CA 3.49Å; L70-S73 WeakPolarHBondContact O-CB 3.37Å; L70-S73 PolarHBondContact O-N 3.32Å; L70-T74 WeakPolarHBondContact O-CG2 3.4Å; L70-T74 PolarHBondContact O-N 3.42Å; L70-F130 HydrophobicContact CB-CE2 4.46Å; L70-F130 HydrophobicContact CD2-CE2 4.23Å
71Y86.9Confident86.2Confident0 Ų046.7 Ų46.70%027%0.267CS..Hα-helixtrans-60.6-36.5176.4-168.4-93.2000112M6 L67 L69 S73 T74 A76 P77 G81 F85 L122 K125M6-Y71 HydrophobicContact CE-CD1 4.21Å; M6-Y71 HydrophobicContact CE-CE1 4.37Å; M6-Y71 HydrophobicContact SD-CD1 3.74Å; M6-Y71 HydrophobicContact SD-CE1 3.48Å; M6-Y71 WeakPolarHBondContact SD-CE1 3.24Å; L67-Y71 VanDerWaalsContact O-CB 3.32Å; L67-Y71 WeakPolarHBondContact O-CB 3.31Å; L67-Y71 PolarHBondContact O-N 3.11Å; L69-Y71 PolarHBondContact O-N 3.16Å; Y71-S73 PolarHBondContact O-N 3.5Å; Y71-T74 PolarHBondContact O-N 2.95Å; Y71-T74 VanDerWaalsContact O-N 3.1Å; Y71-T74 PolarHBondContact O-OG1 2.96Å; Y71-A76 HydrophobicContact CD2-CB 4.35Å; Y71-A76 HydrophobicContact CE1-CB 4.13Å; Y71-A76 HydrophobicContact CE2-CB 3.57Å; Y71-A76 VanDerWaalsContact CZ-CB 3.44Å; Y71-A76 WeakPolarHBondContact OH-CB 3.47Å; Y71-P77 PolarHBondContact OH-O 2.93Å; Y71-G81 VanDerWaalsContact CE1-CA 3.5Å; Y71-F85 HydrophobicContact CD1-CZ 4.31Å; Y71-L122 HydrophobicContact CD1-CD2 4.41Å; Y71-L122 HydrophobicContact CD2-CD2 3.87Å; Y71-L122 HydrophobicContact CE2-CD2 4.39Å; Y71-L122 HydrophobicContact CG-CD2 3.87Å; Y71-K125 HydrophobicContact CD2-CB 4.33Å; Y71-K125 HydrophobicContact CE2-CB 4.1Å; Y71-K125 HydrophobicContact CE2-CD 3.79Å
72C85.8Confident86.2Confident8 Ų847.1 Ų47.15%0.05427%0.27CS..Hα-helixtrans-67.9-17.2174.8-72.60000114.9M6 R7 G68 L69 L70M6-C72 HydrophobicContact CE-CB 4.39Å; R7-C72 HydrophobicContact CG-CB 4.11Å; R7-C72 PolarHBondContact NE-O 3.49Å; R7-C72 PolarHBondContact NH2-O 3.11Å; G68-C72 WeakPolarHBondContact O-CB 3.27Å; G68-C72 PolarHBondContact O-N 3.12Å; G68-C72 PolarHBondContact O-SG 3.15Å; L69-C72 WeakPolarHBondContact O-CB 3.34Å; L69-C72 PolarHBondContact O-N 2.94Å; L70-C72 VanDerWaalsContact C-N 3.27Å; L70-C72 PolarHBondContact O-N 2.9Å
73S85.1Confident86.1Confident75 Ų7549.4 Ų49.452%0.52427%0.268SS..Hα-helixtrans-90.6-10.1172.9-58.90000113L69 L70 Y71L69-S73 PolarHBondContact O-N 3.38Å; L69-S73 PolarHBondContact O-OG 2.96Å; L70-S73 WeakPolarHBondContact O-CA 3.49Å; L70-S73 WeakPolarHBondContact O-CB 3.37Å; L70-S73 PolarHBondContact O-N 3.32Å; Y71-S73 PolarHBondContact O-N 3.5Å
74T83.4Confident86Confident4 Ų448.5 Ų48.53%0.02526%0.26CS..SBendtrans-89.4154172.871.30000111.2L70 Y71 A76 Y129 F130L70-T74 WeakPolarHBondContact O-CG2 3.4Å; L70-T74 PolarHBondContact O-N 3.42Å; Y71-T74 PolarHBondContact O-N 2.95Å; Y71-T74 VanDerWaalsContact O-N 3.1Å; Y71-T74 PolarHBondContact O-OG1 2.96Å; T74-A76 PolarHBondContact O-N 3.38Å; T74-A76 VanDerWaalsContact OG1-CB 3.23Å; T74-A76 WeakPolarHBondContact OG1-CB 3.44Å; T74-Y129 HydrophobicContact CG2-CD1 3.35Å; T74-Y129 HydrophobicContact CG2-CD2 4.46Å; T74-Y129 HydrophobicContact CG2-CE1 3.89Å; T74-Y129 HydrophobicContact CG2-CG 3.68Å; T74-F130 HydrophobicContact CG2-CE2 4.04Å; T74-F130 HydrophobicContact CG2-CZ 4.28Å
75D75.1Confident85.9Confident132 Ų13248.5 Ų48.571%0.70626%0.26SS*.  trans-81.723.9171.9-76.6-39.2000113.1Y129D75-Y129 HydrophobicContact CB-CE2 4.32Å
76A75.6Confident85.9Confident20 Ų2050.6 Ų50.617%0.16526%0.263CS..  trans-65.5155.4-177.600000112.7Y71 T74 A78Y71-A76 HydrophobicContact CD2-CB 4.35Å; Y71-A76 HydrophobicContact CE1-CB 4.13Å; Y71-A76 HydrophobicContact CE2-CB 3.57Å; Y71-A76 VanDerWaalsContact CZ-CB 3.44Å; Y71-A76 WeakPolarHBondContact OH-CB 3.47Å; T74-A76 PolarHBondContact O-N 3.38Å; T74-A76 VanDerWaalsContact OG1-CB 3.23Å; T74-A76 WeakPolarHBondContact OG1-CB 3.44Å; A76-A78 PolarHBondContact O-N 3.46Å; A76-A78 VanDerWaalsContact O-N 3.13Å
77P81.3Confident85.8Confident77 Ų7747.7 Ų47.750%0.525%0.253SS..  trans-59.2120.2-176.421.7-33.7000112.4Y71 T79 V80 G81Y71-P77 PolarHBondContact OH-O 2.93Å; P77-T79 VanDerWaalsContact C-N 3.26Å; P77-T79 PolarHBondContact O-N 3.24Å; P77-V80 HydrophobicContact CB-CG2 4.22Å; P77-V80 HydrophobicContact CG-CB 4.27Å; P77-V80 HydrophobicContact CG-CG2 3.87Å; P77-V80 PolarHBondContact O-N 3.25Å; P77-V80 VanDerWaalsContact O-N 3.11Å; P77-G81 PolarHBondContact O-N 3.08Å
78A81.6Confident85.8Confident10 Ų1046.6 Ų46.68%0.08325%0.247CC..Hα-helixtrans-56.5-36.9-177.700000113.3M1 M6 A76 V80 G81 L82M1-A78 HydrophobicContact CB-CB 4.14Å; M1-A78 HydrophobicContact CG-CB 4.17Å; M6-A78 HydrophobicContact CB-CB 4.14Å; A76-A78 PolarHBondContact O-N 3.46Å; A76-A78 VanDerWaalsContact O-N 3.13Å; A78-V80 VanDerWaalsContact C-N 3.31Å; A78-V80 PolarHBondContact O-N 2.97Å; A78-G81 PolarHBondContact O-N 2.83Å; A78-L82 PolarHBondContact O-N 2.88Å
79T83.4Confident85.8Confident78 Ų7846.7 Ų46.748%0.47925%0.248SC..Hα-helixtrans-60.7-41.4179.2-49.20000111.8P77 L82 W83P77-T79 VanDerWaalsContact C-N 3.26Å; P77-T79 PolarHBondContact O-N 3.24Å; T79-L82 PolarHBondContact O-N 3.36Å; T79-W83 PolarHBondContact O-N 3.47Å
80V83.9Confident85.8Confident47 Ų4746.9 Ų46.929%0.28525%0.249SC..Hα-helixtrans-70.7-43.3-177.8-175.90000110.2P77 A78 L82 W83 H84 K125P77-V80 HydrophobicContact CB-CG2 4.22Å; P77-V80 HydrophobicContact CG-CB 4.27Å; P77-V80 HydrophobicContact CG-CG2 3.87Å; P77-V80 PolarHBondContact O-N 3.25Å; P77-V80 VanDerWaalsContact O-N 3.11Å; A78-V80 VanDerWaalsContact C-N 3.31Å; A78-V80 PolarHBondContact O-N 2.97Å; V80-L82 VanDerWaalsContact C-N 3.33Å; V80-L82 PolarHBondContact O-N 2.8Å; V80-W83 PolarHBondContact O-N 3.41Å; V80-H84 WeakPolarHBondContact CG1-CE1 3.4Å; V80-H84 PolarHBondContact O-N 2.92Å; V80-H84 VanDerWaalsContact O-N 3.11Å; V80-H84 PolarHBondContact O-ND1 2.81Å; V80-K125 VanDerWaalsContact CG1-NZ 3.26Å
81G84.8Confident85.7Confident0 Ų045 Ų450%024%0.241CC..Hα-helixtrans-57.8-44.4175.200000112.4Y71 P77 A78 W83 H84 F85Y71-G81 VanDerWaalsContact CE1-CA 3.5Å; P77-G81 PolarHBondContact O-N 3.08Å; A78-G81 PolarHBondContact O-N 2.83Å; G81-W83 VanDerWaalsContact C-N 3.33Å; G81-W83 PolarHBondContact O-N 3.37Å; G81-H84 WeakPolarHBondContact O-CB 3.23Å; G81-H84 PolarHBondContact O-N 3.29Å; G81-H84 VanDerWaalsContact O-N 3.15Å; G81-F85 VanDerWaalsContact O-CD2 3.23Å; G81-F85 WeakPolarHBondContact O-CD2 3.48Å; G81-F85 WeakPolarHBondContact O-CG 3.13Å; G81-F85 PolarHBondContact O-N 3.16Å
82L87.9Confident85.7Confident19 Ų1945.2 Ų45.210%0.09924%0.242CC..Hα-helixtrans-57.7-44.7177.7-177.568.6000112.5M1 A9 Y13 A78 T79 V80 F85 R86M1-L82 HydrophobicContact CE-CB 4.26Å; M1-L82 HydrophobicContact CE-CD1 4.12Å; M1-L82 HydrophobicContact CE-CD2 3.75Å; M1-L82 HydrophobicContact CE-CG 4.24Å; M1-L82 HydrophobicContact SD-CB 4.48Å; M1-L82 HydrophobicContact SD-CD2 3.87Å; A9-L82 HydrophobicContact CB-CD1 3.5Å; A9-L82 VanDerWaalsContact CB-CD1 3.5Å; Y13-L82 HydrophobicContact CE2-CD1 4.28Å; A78-L82 PolarHBondContact O-N 2.88Å; T79-L82 PolarHBondContact O-N 3.36Å; V80-L82 VanDerWaalsContact C-N 3.33Å; V80-L82 PolarHBondContact O-N 2.8Å; L82-F85 PolarHBondContact O-N 3.47Å; L82-R86 WeakPolarHBondContact O-CB 3.23Å; L82-R86 WeakPolarHBondContact O-CG 3.22Å; L82-R86 PolarHBondContact O-N 3.41Å
83W88.6Confident85.8Confident142 Ų14248.5 Ų48.554%0.53826%0.258SS..Hα-helixtrans-64-40.6177.4-80.5112.2000112.1T79 V80 G81 F85 R86 I87T79-W83 PolarHBondContact O-N 3.47Å; V80-W83 PolarHBondContact O-N 3.41Å; G81-W83 VanDerWaalsContact C-N 3.33Å; G81-W83 PolarHBondContact O-N 3.37Å; W83-F85 PolarHBondContact O-N 3.49Å; W83-R86 PolarHBondContact O-N 2.81Å; W83-I87 WeakPolarHBondContact O-CB 3.45Å; W83-I87 WeakPolarHBondContact O-CD1 3.32Å; W83-I87 VanDerWaalsContact O-CG1 3.23Å; W83-I87 WeakPolarHBondContact O-CG1 3.08Å; W83-I87 PolarHBondContact O-N 2.89Å
84H88.3Confident85.7Confident28 Ų2849.4 Ų49.413%0.1326%0.257CS..Hα-helixtrans-60.8-46.8175.8-73.466.1000110.9V80 G81 R86 I87 F88 V118 S121 L122V80-H84 WeakPolarHBondContact CG1-CE1 3.4Å; V80-H84 PolarHBondContact O-N 2.92Å; V80-H84 VanDerWaalsContact O-N 3.11Å; V80-H84 PolarHBondContact O-ND1 2.81Å; G81-H84 WeakPolarHBondContact O-CB 3.23Å; G81-H84 PolarHBondContact O-N 3.29Å; G81-H84 VanDerWaalsContact O-N 3.15Å; H84-R86 PolarHBondContact O-N 2.87Å; H84-I87 PolarHBondContact O-N 3.43Å; H84-F88 VanDerWaalsContact O-CB 3.23Å; H84-F88 WeakPolarHBondContact O-CB 3.43Å; H84-F88 PolarHBondContact O-N 3.31Å; H84-V118 HydrophobicContact CB-CG1 3.92Å; H84-S121 WeakPolarHBondContact NE2-CB 3.46Å; H84-S121 PolarHBondContact NE2-OG 2.85Å; H84-L122 HydrophobicContact CB-CD2 4.26Å; H84-L122 HydrophobicContact CB-CG 4.47Å
85F89.5Confident85.7Confident0 Ų049.3 Ų49.30%026%0.256CS..Hα-helixtrans-63.6-41.3179.2-55.5-30.7000112.4M6 F10 Y13 F64 Y71 G81 L82 W83 A89 L122M6-F85 HydrophobicContact CG-CE2 3.82Å; F10-F85 HydrophobicContact CB-CD2 4.14Å; F10-F85 HydrophobicContact CB-CE2 3.71Å; F10-F85 HydrophobicContact CB-CZ 4Å; F10-F85 HydrophobicContact CD2-CD1 4.32Å; F10-F85 AromaticContact CD2-CE1 3.9Å; F10-F85 HydrophobicContact CD2-CE1 3.9Å; F10-F85 HydrophobicContact CD2-CE2 4.42Å; F10-F85 AromaticContact CD2-CZ 3.95Å; F10-F85 HydrophobicContact CD2-CZ 3.95Å; F10-F85 HydrophobicContact CG-CZ 4.33Å; Y13-F85 HydrophobicContact CD2-CB 3.72Å; Y13-F85 HydrophobicContact CE2-CB 4.37Å; Y13-F85 HydrophobicContact CG-CB 4.4Å; F64-F85 AromaticContact CE2-CD1 3.66Å; F64-F85 HydrophobicContact CE2-CD1 3.66Å; F64-F85 HydrophobicContact CE2-CE1 4.32Å; F64-F85 HydrophobicContact CZ-CB 4.24Å; F64-F85 AromaticContact CZ-CD1 3.53Å; F64-F85 HydrophobicContact CZ-CD1 3.53Å; F64-F85 HydrophobicContact CZ-CE1 4.3Å; F64-F85 HydrophobicContact CZ-CG 4.23Å; Y71-F85 HydrophobicContact CD1-CZ 4.31Å; G81-F85 VanDerWaalsContact O-CD2 3.23Å; G81-F85 WeakPolarHBondContact O-CD2 3.48Å; G81-F85 WeakPolarHBondContact O-CG 3.13Å; G81-F85 PolarHBondContact O-N 3.16Å; L82-F85 PolarHBondContact O-N 3.47Å; W83-F85 PolarHBondContact O-N 3.49Å; F85-A89 VanDerWaalsContact O-CB 3.23Å; F85-A89 WeakPolarHBondContact O-CB 3.23Å; F85-A89 PolarHBondContact O-N 3.35Å; F85-L122 HydrophobicContact CE1-CD1 4.42Å; F85-L122 HydrophobicContact CE1-CD2 4.46Å
86R90.8Very high85.9Confident106 Ų10643.7 Ų43.740%0.423%0.226SC..Hα-helixtrans-63.9-50.4176.9-79.3175.7175.7-177.30.8112.7Y13 L82 W83 H84 F88 A89 L90Y13-R86 HydrophobicContact CE1-CG 4.33Å; Y13-R86 HydrophobicContact CE2-CG 3.78Å; Y13-R86 WeakPolarHBondContact OH-CG 3.36Å; Y13-R86 PolarHBondContact OH-NE 2.93Å; L82-R86 WeakPolarHBondContact O-CB 3.23Å; L82-R86 WeakPolarHBondContact O-CG 3.22Å; L82-R86 PolarHBondContact O-N 3.41Å; W83-R86 PolarHBondContact O-N 2.81Å; H84-R86 PolarHBondContact O-N 2.87Å; R86-F88 VanDerWaalsContact C-N 3.35Å; R86-A89 PolarHBondContact O-N 2.94Å; R86-L90 VanDerWaalsContact O-CB 3.31Å; R86-L90 WeakPolarHBondContact O-CB 3.36Å; R86-L90 PolarHBondContact O-N 2.92Å
87I90.7Very high86.1Confident74 Ų7445.6 Ų45.638%0.37924%0.237SC..Hα-helixtrans-63.8-44.4-178.3-68166.7000109.8W83 H84 A91 V114 V118W83-I87 WeakPolarHBondContact O-CB 3.45Å; W83-I87 WeakPolarHBondContact O-CD1 3.32Å; W83-I87 VanDerWaalsContact O-CG1 3.23Å; W83-I87 WeakPolarHBondContact O-CG1 3.08Å; W83-I87 PolarHBondContact O-N 2.89Å; H84-I87 PolarHBondContact O-N 3.43Å; I87-A91 VanDerWaalsContact O-CB 3.28Å; I87-A91 WeakPolarHBondContact O-CB 3.39Å; I87-A91 PolarHBondContact O-N 3.46Å; I87-V114 HydrophobicContact CG2-CG1 3.72Å; I87-V118 HydrophobicContact CG2-CG2 4.08Å
88F90.8Very high85.9Confident0 Ų042.7 Ų42.70%022%0.22CC..Hα-helixtrans-61.7-49.7177.4-174.8-96.3000112L17 N60 F64 H84 R86 L90 A91 R92 V118L17-F88 HydrophobicContact CD1-CD1 3.69Å; L17-F88 HydrophobicContact CD1-CE1 3.65Å; N60-F88 HydrophobicContact CB-CE2 4.45Å; N60-F88 HydrophobicContact CB-CZ 4.15Å; N60-F88 WeakPolarHBondContact O-CZ 3.32Å; F64-F88 HydrophobicContact CB-CD1 4.14Å; F64-F88 HydrophobicContact CB-CE1 3.46Å; F64-F88 VanDerWaalsContact CB-CE1 3.46Å; F64-F88 HydrophobicContact CB-CE2 4.03Å; F64-F88 HydrophobicContact CB-CZ 3.41Å; F64-F88 VanDerWaalsContact CB-CZ 3.41Å; F64-F88 AromaticContact CD1-CD1 3.74Å; F64-F88 HydrophobicContact CD1-CD1 3.74Å; F64-F88 AromaticContact CD1-CE1 3.57Å; F64-F88 HydrophobicContact CD1-CE1 3.57Å; F64-F88 HydrophobicContact CD1-CZ 4.41Å; F64-F88 HydrophobicContact CD2-CB 4.06Å; F64-F88 AromaticContact CD2-CD1 3.29Å; F64-F88 HydrophobicContact CD2-CD1 3.29Å; F64-F88 AromaticContact CD2-CD2 3.86Å; F64-F88 HydrophobicContact CD2-CD2 3.86Å; F64-F88 AromaticContact CD2-CE1 3.57Å; F64-F88 HydrophobicContact CD2-CE1 3.57Å; F64-F88 HydrophobicContact CD2-CE2 4.12Å; F64-F88 AromaticContact CD2-CG 3.45Å; F64-F88 HydrophobicContact CD2-CG 3.45Å; F64-F88 VanDerWaalsContact CD2-CG 3.45Å; F64-F88 AromaticContact CD2-CZ 3.99Å; F64-F88 HydrophobicContact CD2-CZ 3.99Å; F64-F88 AromaticContact CE1-CD1 3.89Å; F64-F88 HydrophobicContact CE1-CD1 3.89Å; F64-F88 HydrophobicContact CE1-CE1 4.17Å; F64-F88 HydrophobicContact CE2-CB 3.69Å; F64-F88 AromaticContact CE2-CD1 3.44Å; F64-F88 HydrophobicContact CE2-CD1 3.44Å; F64-F88 VanDerWaalsContact CE2-CD1 3.44Å; F64-F88 HydrophobicContact CE2-CD2 4.37Å; F64-F88 HydrophobicContact CE2-CE1 4.15Å; F64-F88 AromaticContact CE2-CG 3.57Å; F64-F88 HydrophobicContact CE2-CG 3.57Å; F64-F88 AromaticContact CG-CD1 3.43Å; F64-F88 HydrophobicContact CG-CD1 3.43Å; F64-F88 VanDerWaalsContact CG-CD1 3.43Å; F64-F88 HydrophobicContact CG-CD2 4.41Å; F64-F88 AromaticContact CG-CE1 3.22Å; F64-F88 HydrophobicContact CG-CE1 3.22Å; F64-F88 HydrophobicContact CG-CE2 4.26Å; F64-F88 HydrophobicContact CG-CG 4.04Å; F64-F88 AromaticContact CG-CZ 3.7Å; F64-F88 HydrophobicContact CG-CZ 3.7Å; F64-F88 HydrophobicContact CZ-CB 4.36Å; F64-F88 AromaticContact CZ-CD1 3.74Å; F64-F88 HydrophobicContact CZ-CD1 3.74Å; F64-F88 HydrophobicContact CZ-CE1 4.42Å; F64-F88 HydrophobicContact CZ-CG 4.28Å; H84-F88 VanDerWaalsContact O-CB 3.23Å; H84-F88 WeakPolarHBondContact O-CB 3.43Å; H84-F88 PolarHBondContact O-N 3.31Å; R86-F88 VanDerWaalsContact C-N 3.35Å; F88-L90 PolarHBondContact O-N 3.23Å; F88-A91 PolarHBondContact O-N 3.33Å; F88-R92 HydrophobicContact CD1-CG 4.11Å; F88-R92 HydrophobicContact CE1-CG 3.69Å; F88-R92 HydrophobicContact CE2-CG 4.14Å; F88-R92 HydrophobicContact CG-CG 4.5Å; F88-R92 HydrophobicContact CZ-CG 3.7Å; F88-R92 WeakPolarHBondContact O-CG 3.41Å; F88-R92 PolarHBondContact O-N 3.25Å; F88-V118 HydrophobicContact CB-CB 4.49Å; F88-V118 HydrophobicContact CB-CG1 3.95Å; F88-V118 HydrophobicContact CD2-CB 4.29Å; F88-V118 HydrophobicContact CD2-CG1 4.23Å; F88-V118 HydrophobicContact CG-CG1 4.48Å
89A89.9Confident85.6Confident2 Ų244.5 Ų44.52%0.01723%0.225CC..Hα-helixtrans-60.6-46.318000000111.6Y13 L17 F85 R86 A91 R92 I93Y13-A89 HydrophobicContact CD1-CB 3.65Å; Y13-A89 HydrophobicContact CE1-CB 4.44Å; Y13-A89 HydrophobicContact CG-CB 4.12Å; L17-A89 HydrophobicContact CD1-CB 4.37Å; F85-A89 VanDerWaalsContact O-CB 3.23Å; F85-A89 WeakPolarHBondContact O-CB 3.23Å; F85-A89 PolarHBondContact O-N 3.35Å; R86-A89 PolarHBondContact O-N 2.94Å; A89-A91 PolarHBondContact O-N 3.39Å; A89-R92 PolarHBondContact O-N 3.02Å; A89-I93 WeakPolarHBondContact O-CB 3.48Å; A89-I93 WeakPolarHBondContact O-CD1 3.32Å; A89-I93 WeakPolarHBondContact O-CG1 3.43Å; A89-I93 PolarHBondContact O-N 3.25Å
90L89.4Confident85.2Confident111 Ų11144.8 Ų44.858%0.58122%0.223SC*.Hα-helixtrans-59.3-48.9176.9-169.680.3000111.4R86 F88 R92 I93 L94R86-L90 VanDerWaalsContact O-CB 3.31Å; R86-L90 WeakPolarHBondContact O-CB 3.36Å; R86-L90 PolarHBondContact O-N 2.92Å; F88-L90 PolarHBondContact O-N 3.23Å; L90-R92 PolarHBondContact O-N 3.41Å; L90-I93 PolarHBondContact O-N 2.78Å; L90-L94 HydrophobicContact CD2-CD1 4.44Å; L90-L94 HydrophobicContact CG-CD1 4Å; L90-L94 WeakPolarHBondContact O-CB 3.23Å; L90-L94 VanDerWaalsContact O-CG 3.31Å; L90-L94 WeakPolarHBondContact O-CG 3.29Å; L90-L94 PolarHBondContact O-N 2.96Å
91A87.7Confident84.7Confident11 Ų1149.5 Ų49.59%0.09125%0.245CC..Hα-helixtrans-59.5-45179.400000111.5I87 F88 A89 L94 H95 I111 V114I87-A91 VanDerWaalsContact O-CB 3.28Å; I87-A91 WeakPolarHBondContact O-CB 3.39Å; I87-A91 PolarHBondContact O-N 3.46Å; F88-A91 PolarHBondContact O-N 3.33Å; A89-A91 PolarHBondContact O-N 3.39Å; A91-L94 PolarHBondContact O-N 3.24Å; A91-H95 WeakPolarHBondContact O-CB 3.11Å; A91-H95 PolarHBondContact O-N 2.89Å; A91-I111 HydrophobicContact CB-CG2 4.27Å; A91-I111 VanDerWaalsContact O-CG2 3.23Å; A91-I111 WeakPolarHBondContact O-CG2 3.38Å; A91-V114 HydrophobicContact CB-CB 4.46Å; A91-V114 HydrophobicContact CB-CG1 4.07Å
92R87Confident83.9Confident5 Ų551.2 Ų51.22%0.01926%0.256CS..Hα-helixtrans-70.8-34.4179.2-67.7-51.9-57.7167.18.3113.1L17 K20 N56 D57 N60 F88 A89 L90 T96L17-R92 HydrophobicContact CD2-CB 3.67Å; L17-R92 HydrophobicContact CD2-CG 4.48Å; K20-R92 PolarHBondContact NZ-O 2.74Å; N56-R92 PolarHBondContact O-NH2 3.37Å; N56-R92 PolarHBondContact OD1-NH1 3.33Å; N56-R92 PolarHBondContact OD1-NH2 3.39Å; D57-R92 IonicContact OD1-CZ 3.43Å; D57-R92 IonicContact OD1-NE 3.99Å; D57-R92 PolarHBondContact OD1-NE 3.39Å; D57-R92 VanDerWaalsContact OD1-NE 3.11Å; D57-R92 IonicContact OD1-NH2 3.44Å; D57-R92 PolarHBondContact OD1-NH2 3.42Å; N60-R92 PolarHBondContact ND2-NH1 3.27Å; N60-R92 VanDerWaalsContact ND2-NH1 3.2Å; F88-R92 HydrophobicContact CD1-CG 4.11Å; F88-R92 HydrophobicContact CE1-CG 3.69Å; F88-R92 HydrophobicContact CE2-CG 4.14Å; F88-R92 HydrophobicContact CG-CG 4.5Å; F88-R92 HydrophobicContact CZ-CG 3.7Å; F88-R92 WeakPolarHBondContact O-CG 3.41Å; F88-R92 PolarHBondContact O-N 3.25Å; A89-R92 PolarHBondContact O-N 3.02Å; L90-R92 PolarHBondContact O-N 3.41Å; R92-T96 PolarHBondContact O-OG1 3.11Å
93I86.4Confident82.8Confident77 Ų7759 Ų5940%0.39529%0.292SS..Hα-helixtrans-68.5-40.2176-70.1165.7000110.2I16 L17 A89 L90 P97I16-I93 HydrophobicContact CG2-CD1 4Å; L17-I93 HydrophobicContact CD2-CG1 4.3Å; A89-I93 WeakPolarHBondContact O-CB 3.48Å; A89-I93 WeakPolarHBondContact O-CD1 3.32Å; A89-I93 WeakPolarHBondContact O-CG1 3.43Å; A89-I93 PolarHBondContact O-N 3.25Å; L90-I93 PolarHBondContact O-N 2.78Å; I93-P97 WeakPolarHBondContact O-CD 3.34Å
94L84.3Confident81.4Confident95 Ų9554.3 Ų54.350%0.49729%0.288SS..Hα-helixtrans-72.8-31177.3-68.4172.8000113L90 A91 T96 P97 A98L90-L94 HydrophobicContact CD2-CD1 4.44Å; L90-L94 HydrophobicContact CG-CD1 4Å; L90-L94 WeakPolarHBondContact O-CB 3.23Å; L90-L94 VanDerWaalsContact O-CG 3.31Å; L90-L94 WeakPolarHBondContact O-CG 3.29Å; L90-L94 PolarHBondContact O-N 2.96Å; A91-L94 PolarHBondContact O-N 3.24Å; L94-T96 PolarHBondContact O-N 3.43Å; L94-P97 WeakPolarHBondContact O-CD 3.45Å; L94-P97 WeakPolarHBondContact O-CG 3.47Å; L94-A98 VanDerWaalsContact O-CB 3.29Å; L94-A98 WeakPolarHBondContact O-CB 3.45Å; L94-A98 PolarHBondContact O-N 3.39Å
95H82.3Confident80.1Confident1 Ų163.8 Ų63.81%0.00532%0.322CS..Hα-helixtrans-61.5-42.7178.6-174.4-80.2000112.9N56 A91 A98 Y99 I108 I111N56-H95 PolarHBondContact OD1-CE1 3.48Å; N56-H95 PolarHBondContact OD1-NE2 2.79Å; A91-H95 WeakPolarHBondContact O-CB 3.11Å; A91-H95 PolarHBondContact O-N 2.89Å; H95-A98 PolarHBondContact O-N 3.48Å; H95-Y99 WeakPolarHBondContact O-CB 3.41Å; H95-Y99 PolarHBondContact O-N 3Å; H95-I108 WeakPolarHBondContact NE2-CG2 3.5Å; H95-I111 HydrophobicContact CB-CG2 3.82Å
96T79.9Confident78.5Confident14 Ų1468.7 Ų68.79%0.08634%0.344CS..Hα-helixtrans-60.9-53.9-176.3-60.50000113.9K20 L24 R92 L94 A98 Y99 L100K20-T96 WeakPolarHBondContact CE-OG1 3.27Å; K20-T96 PolarHBondContact NZ-OG1 3.12Å; L24-T96 HydrophobicContact CD1-CG2 4.11Å; L24-T96 HydrophobicContact CD2-CG2 3.98Å; L24-T96 HydrophobicContact CG-CG2 4.44Å; R92-T96 PolarHBondContact O-OG1 3.11Å; L94-T96 PolarHBondContact O-N 3.43Å; T96-A98 VanDerWaalsContact C-N 3.33Å; T96-A98 PolarHBondContact O-N 3.23Å; T96-Y99 PolarHBondContact O-N 3.5Å; T96-L100 HydrophobicContact CG2-CD1 4.27Å; T96-L100 WeakPolarHBondContact O-CG 3.5Å; T96-L100 PolarHBondContact O-N 3.31Å; T96-L100 VanDerWaalsContact O-N 3.14Å
97P79Confident77Confident60 Ų6067.5 Ų67.539%0.3935%0.35SS..Hα-helixtrans-66.3-35.8176.126.7-32.8000111.7I93 L94 Y99 L100 L101I93-P97 WeakPolarHBondContact O-CD 3.34Å; L94-P97 WeakPolarHBondContact O-CD 3.45Å; L94-P97 WeakPolarHBondContact O-CG 3.47Å; P97-Y99 VanDerWaalsContact C-N 3.33Å; P97-Y99 PolarHBondContact O-N 3.42Å; P97-L100 PolarHBondContact O-N 3.43Å; P97-L101 VanDerWaalsContact O-CB 3.29Å; P97-L101 WeakPolarHBondContact O-CB 3.37Å; P97-L101 VanDerWaalsContact O-CG 3.27Å; P97-L101 WeakPolarHBondContact O-CG 3.4Å; P97-L101 PolarHBondContact O-N 2.98Å
98A77.9Confident76Confident17 Ų1765.3 Ų65.314%0.1434%0.339CS..Hα-helixtrans-60.6-42.517600000111.8L94 H95 T96 T102 F106L94-A98 VanDerWaalsContact O-CB 3.29Å; L94-A98 WeakPolarHBondContact O-CB 3.45Å; L94-A98 PolarHBondContact O-N 3.39Å; H95-A98 PolarHBondContact O-N 3.48Å; T96-A98 VanDerWaalsContact C-N 3.33Å; T96-A98 PolarHBondContact O-N 3.23Å; A98-T102 WeakPolarHBondContact O-CB 3.23Å; A98-T102 WeakPolarHBondContact O-CG2 3.19Å; A98-T102 PolarHBondContact O-N 3.38Å; A98-T102 PolarHBondContact O-OG1 3.21Å; A98-F106 HydrophobicContact CB-CD1 4.23Å
99Y74.8Confident75Confident47 Ų4767.8 Ų67.818%0.18436%0.364CS..Hα-helixtrans-64.9-45177.8-167.2-87.8000112R52 C53 H95 T96 P97 I108R52-Y99 WeakPolarHBondContact CB-OH 3.34Å; C53-Y99 HydrophobicContact CB-CD1 3.7Å; C53-Y99 HydrophobicContact CB-CE1 3.93Å; C53-Y99 HydrophobicContact CB-CG 4.43Å; H95-Y99 WeakPolarHBondContact O-CB 3.41Å; H95-Y99 PolarHBondContact O-N 3Å; T96-Y99 PolarHBondContact O-N 3.5Å; P97-Y99 VanDerWaalsContact C-N 3.33Å; P97-Y99 PolarHBondContact O-N 3.42Å; Y99-I108 HydrophobicContact CD2-CD1 3.78Å; Y99-I108 HydrophobicContact CD2-CG1 4.46Å; Y99-I108 HydrophobicContact CD2-CG2 4.19Å; Y99-I108 HydrophobicContact CE2-CD1 4.25Å
100L74.6Confident74.2Confident85 Ų8573.4 Ų73.445%0.44539%0.394SS..Hα-helixtrans-72.2-36-177.3-67.6175.3000113.2I50 T96 P97I50-L100 HydrophobicContact CG1-CD2 4.44Å; T96-L100 HydrophobicContact CG2-CD1 4.27Å; T96-L100 WeakPolarHBondContact O-CG 3.5Å; T96-L100 PolarHBondContact O-N 3.31Å; T96-L100 VanDerWaalsContact O-N 3.14Å; P97-L100 PolarHBondContact O-N 3.43Å
101L75.2Confident73.6Confident145 Ų14569.7 Ų69.776%0.75937%0.374SS*.Hα-helixtrans-82.4-24.4-176.5-69.2173.3000113.8P97P97-L101 VanDerWaalsContact O-CB 3.29Å; P97-L101 WeakPolarHBondContact O-CB 3.37Å; P97-L101 VanDerWaalsContact O-CG 3.27Å; P97-L101 WeakPolarHBondContact O-CG 3.4Å; P97-L101 PolarHBondContact O-N 2.98Å
102T66.9Low73.1Confident37 Ų3772.1 Ų72.123%0.22738%0.382CS..Hα-helixtrans-108.75.2-170.367.10000114.5A98 G104 R105 F106A98-T102 WeakPolarHBondContact O-CB 3.23Å; A98-T102 WeakPolarHBondContact O-CG2 3.19Å; A98-T102 PolarHBondContact O-N 3.38Å; A98-T102 PolarHBondContact O-OG1 3.21Å; T102-G104 PolarHBondContact O-N 2.87Å; T102-R105 VanDerWaalsContact O-CB 3.28Å; T102-R105 WeakPolarHBondContact O-CB 3.44Å; T102-R105 WeakPolarHBondContact O-CG 3.42Å; T102-R105 PolarHBondContact O-N 3.42Å; T102-F106 HydrophobicContact CG2-CB 3.9Å; T102-F106 HydrophobicContact CG2-CD2 4.33Å; T102-F106 HydrophobicContact CG2-CG 4.44Å; T102-F106 VanDerWaalsContact OG1-CB 3.31Å; T102-F106 WeakPolarHBondContact OG1-CB 3.35Å; T102-F106 PolarHBondContact OG1-N 3.48Å
103E64.6Low72.9Confident181 Ų18176.1 Ų76.185%0.84640%0.404SS*.THydrogen-bonded Turntrans49.727.2180-61.4-178.7177.100113.6
104G60.2Low72.9Confident44 Ų4475 Ų7545%0.45440%0.4SS..THydrogen-bonded Turntrans93.62.7-176.600000116.4T102T102-G104 PolarHBondContact O-N 2.87Å
105R59.7Low72.9Confident227 Ų22770.5 Ų70.586%0.85738%0.377SS*.  trans-85.4-20.4-175.8-66.2-179166.3-171.5-3.2115.2T102T102-R105 VanDerWaalsContact O-CB 3.28Å; T102-R105 WeakPolarHBondContact O-CB 3.44Å; T102-R105 WeakPolarHBondContact O-CG 3.42Å; T102-R105 PolarHBondContact O-N 3.42Å
106F57Low73.1Confident104 Ų10476.2 Ų76.246%0.45640%0.399SS..SBendtrans-71.3157.4177.7-156.7-104.4000110.8A98 T102 I108 I111A98-F106 HydrophobicContact CB-CD1 4.23Å; T102-F106 HydrophobicContact CG2-CB 3.9Å; T102-F106 HydrophobicContact CG2-CD2 4.33Å; T102-F106 HydrophobicContact CG2-CG 4.44Å; T102-F106 VanDerWaalsContact OG1-CB 3.31Å; T102-F106 WeakPolarHBondContact OG1-CB 3.35Å; T102-F106 PolarHBondContact OG1-N 3.48Å; F106-I108 HydrophobicContact CB-CG1 4.22Å; F106-I108 WeakPolarHBondContact O-CG1 3.48Å; F106-I108 PolarHBondContact O-N 3.14Å; F106-I111 HydrophobicContact CD1-CD1 4.19Å; F106-I111 HydrophobicContact CE1-CD1 3.91Å
107P59.5Low73.6Confident81 Ų8180 Ų8053%0.52642%0.418SS..  trans-67.262.4169.429.4-38.4000111.8G109 L110P107-G109 PolarHBondContact O-N 2.87Å; P107-L110 HydrophobicContact CB-CB 4.44Å; P107-L110 PolarHBondContact O-N 3.25Å
108I69.2Low74.2Confident28 Ų2877.6 Ų77.614%0.14440%0.402CS..Hα-helixtrans-54.2-34.8175.4-67.3161.3000109.2H95 Y99 F106 L110 I111 F112H95-I108 WeakPolarHBondContact NE2-CG2 3.5Å; Y99-I108 HydrophobicContact CD2-CD1 3.78Å; Y99-I108 HydrophobicContact CD2-CG1 4.46Å; Y99-I108 HydrophobicContact CD2-CG2 4.19Å; Y99-I108 HydrophobicContact CE2-CD1 4.25Å; F106-I108 HydrophobicContact CB-CG1 4.22Å; F106-I108 WeakPolarHBondContact O-CG1 3.48Å; F106-I108 PolarHBondContact O-N 3.14Å; I108-L110 VanDerWaalsContact C-N 3.32Å; I108-L110 PolarHBondContact O-N 3.47Å; I108-I111 PolarHBondContact O-N 3.39Å; I108-F112 VanDerWaalsContact O-CB 3.25Å; I108-F112 WeakPolarHBondContact O-CB 3.34Å; I108-F112 PolarHBondContact O-N 2.98Å
109G70.2Confident74.8Confident52 Ų5277.3 Ų77.354%0.53640%0.398SS..Hα-helixtrans-58.3-36.2175.300000114.2P107 L113P107-G109 PolarHBondContact O-N 2.87Å; G109-L113 VanDerWaalsContact O-CB 3.26Å; G109-L113 WeakPolarHBondContact O-CB 3.49Å; G109-L113 PolarHBondContact O-N 3.49Å
110L73.3Confident75.6Confident120 Ų12078.7 Ų78.763%0.62841%0.408SS*.Hα-helixtrans-75.4-40.1-178.3-166.7130.2000111.6P107 I108 L113 V114P107-L110 HydrophobicContact CB-CB 4.44Å; P107-L110 PolarHBondContact O-N 3.25Å; I108-L110 VanDerWaalsContact C-N 3.32Å; I108-L110 PolarHBondContact O-N 3.47Å; L110-L113 PolarHBondContact O-N 3.03Å; L110-V114 WeakPolarHBondContact O-CG2 3.4Å; L110-V114 PolarHBondContact O-N 3.5Å
111I76.5Confident76.3Confident32 Ų3276.3 Ų76.316%0.16440%0.398CS..Hα-helixtrans-67.6-40.2174.6-60.7173.5000110.4A91 H95 F106 I108 L113 V114 G115A91-I111 HydrophobicContact CB-CG2 4.27Å; A91-I111 VanDerWaalsContact O-CG2 3.23Å; A91-I111 WeakPolarHBondContact O-CG2 3.38Å; H95-I111 HydrophobicContact CB-CG2 3.82Å; F106-I111 HydrophobicContact CD1-CD1 4.19Å; F106-I111 HydrophobicContact CE1-CD1 3.91Å; I108-I111 PolarHBondContact O-N 3.39Å; I111-L113 VanDerWaalsContact C-N 3.32Å; I111-L113 PolarHBondContact O-N 2.97Å; I111-V114 PolarHBondContact O-N 3.35Å; I111-G115 PolarHBondContact O-N 2.9Å
112F76.5Confident77Confident62 Ų6269.4 Ų69.427%0.27236%0.362SS..Hα-helixtrans-58.8-45.6173.5177.4-90.8000111.3N60 I108 V114 G115 Y116N60-F112 VanDerWaalsContact ND2-CE2 3.27Å; N60-F112 WeakPolarHBondContact ND2-CE2 3.33Å; I108-F112 VanDerWaalsContact O-CB 3.25Å; I108-F112 WeakPolarHBondContact O-CB 3.34Å; I108-F112 PolarHBondContact O-N 2.98Å; F112-V114 VanDerWaalsContact C-N 3.3Å; F112-V114 PolarHBondContact O-N 3.18Å; F112-G115 PolarHBondContact O-N 2.75Å; F112-G115 VanDerWaalsContact O-N 3.15Å; F112-Y116 HydrophobicContact CE1-CD2 4.43Å; F112-Y116 PolarHBondContact O-N 3.38Å
113L84Confident78.1Confident90 Ų9068.9 Ų68.947%0.47136%0.362SS..Hα-helixtrans-59.4-39.3179.6-175.965.3000112.1G109 L110 I111 G115 Y116 I117G109-L113 VanDerWaalsContact O-CB 3.26Å; G109-L113 WeakPolarHBondContact O-CB 3.49Å; G109-L113 PolarHBondContact O-N 3.49Å; L110-L113 PolarHBondContact O-N 3.03Å; I111-L113 VanDerWaalsContact C-N 3.32Å; I111-L113 PolarHBondContact O-N 2.97Å; L113-G115 PolarHBondContact O-N 3.33Å; L113-Y116 PolarHBondContact O-N 2.8Å; L113-I117 HydrophobicContact CD1-CD1 4.27Å; L113-I117 HydrophobicContact CD1-CG1 4.32Å; L113-I117 HydrophobicContact CD2-CD1 4.39Å; L113-I117 HydrophobicContact CG-CD1 3.81Å; L113-I117 HydrophobicContact CG-CG1 4.31Å; L113-I117 WeakPolarHBondContact O-CB 3.29Å; L113-I117 VanDerWaalsContact O-CG1 3.24Å; L113-I117 WeakPolarHBondContact O-CG1 3.19Å; L113-I117 PolarHBondContact O-N 3.05Å
114V85.7Confident79.4Confident53 Ų5364.9 Ų64.932%0.32135%0.346SS..Hα-helixtrans-60.2-46.6176.1173.90000111.3I87 A91 L110 I111 F112 Y116 I117 V118I87-V114 HydrophobicContact CG2-CG1 3.72Å; A91-V114 HydrophobicContact CB-CB 4.46Å; A91-V114 HydrophobicContact CB-CG1 4.07Å; L110-V114 WeakPolarHBondContact O-CG2 3.4Å; L110-V114 PolarHBondContact O-N 3.5Å; I111-V114 PolarHBondContact O-N 3.35Å; F112-V114 VanDerWaalsContact C-N 3.3Å; F112-V114 PolarHBondContact O-N 3.18Å; V114-Y116 VanDerWaalsContact C-N 3.3Å; V114-Y116 PolarHBondContact O-N 3.5Å; V114-I117 PolarHBondContact O-N 3.13Å; V114-V118 WeakPolarHBondContact O-CG2 3.48Å; V114-V118 PolarHBondContact O-N 3.15Å; V114-V118 VanDerWaalsContact O-N 3.11Å
115G84.3Confident80.7Confident0 Ų066.1 Ų66.10%034%0.338CS..Hα-helixtrans-61.7-40.9176.500000112.2I111 F112 L113 V118 N119I111-G115 PolarHBondContact O-N 2.9Å; F112-G115 PolarHBondContact O-N 2.75Å; F112-G115 VanDerWaalsContact O-N 3.15Å; L113-G115 PolarHBondContact O-N 3.33Å; G115-V118 PolarHBondContact O-N 2.97Å; G115-N119 PolarHBondContact O-N 2.83Å; G115-N119 VanDerWaalsContact O-N 3.12Å
116Y87Confident82.1Confident122 Ų12255.5 Ų55.548%0.47830%0.299SS..Hα-helixtrans-64.7-44.5178.3-160.9-108.5000112.3F112 L113 V114 V118 N119 I120F112-Y116 HydrophobicContact CE1-CD2 4.43Å; F112-Y116 PolarHBondContact O-N 3.38Å; L113-Y116 PolarHBondContact O-N 2.8Å; V114-Y116 VanDerWaalsContact C-N 3.3Å; V114-Y116 PolarHBondContact O-N 3.5Å; Y116-V118 VanDerWaalsContact C-N 3.32Å; Y116-V118 PolarHBondContact O-N 2.98Å; Y116-N119 PolarHBondContact O-N 3.29Å; Y116-I120 HydrophobicContact CD1-CD1 3.53Å; Y116-I120 HydrophobicContact CD1-CG1 4.32Å; Y116-I120 HydrophobicContact CE1-CD1 3.48Å; Y116-I120 VanDerWaalsContact CE1-CD1 3.48Å; Y116-I120 HydrophobicContact CE1-CG1 4.25Å; Y116-I120 HydrophobicContact CG-CD1 4.47Å; Y116-I120 WeakPolarHBondContact O-CG1 3.34Å; Y116-I120 PolarHBondContact O-N 3.4Å
117I90.5Very high83.6Confident93 Ų9355.7 Ų55.748%0.47730%0.304SS..Hα-helixtrans-60.5-41.5176-70.7166.6000111.1L113 V114 I120 S121L113-I117 HydrophobicContact CD1-CD1 4.27Å; L113-I117 HydrophobicContact CD1-CG1 4.32Å; L113-I117 HydrophobicContact CD2-CD1 4.39Å; L113-I117 HydrophobicContact CG-CD1 3.81Å; L113-I117 HydrophobicContact CG-CG1 4.31Å; L113-I117 WeakPolarHBondContact O-CB 3.29Å; L113-I117 VanDerWaalsContact O-CG1 3.24Å; L113-I117 WeakPolarHBondContact O-CG1 3.19Å; L113-I117 PolarHBondContact O-N 3.05Å; V114-I117 PolarHBondContact O-N 3.13Å; I117-I120 PolarHBondContact O-N 3.35Å; I117-S121 WeakPolarHBondContact O-CB 3.17Å; I117-S121 PolarHBondContact O-N 2.9Å
118V90.1Very high85Confident10 Ų1056.9 Ų56.96%0.06131%0.305CS..Hα-helixtrans-63.3-43.6177.5171.10000111.3H84 I87 F88 V114 G115 Y116 S121 L122H84-V118 HydrophobicContact CB-CG1 3.92Å; I87-V118 HydrophobicContact CG2-CG2 4.08Å; F88-V118 HydrophobicContact CB-CB 4.49Å; F88-V118 HydrophobicContact CB-CG1 3.95Å; F88-V118 HydrophobicContact CD2-CB 4.29Å; F88-V118 HydrophobicContact CD2-CG1 4.23Å; F88-V118 HydrophobicContact CG-CG1 4.48Å; V114-V118 WeakPolarHBondContact O-CG2 3.48Å; V114-V118 PolarHBondContact O-N 3.15Å; V114-V118 VanDerWaalsContact O-N 3.11Å; G115-V118 PolarHBondContact O-N 2.97Å; Y116-V118 VanDerWaalsContact C-N 3.32Å; Y116-V118 PolarHBondContact O-N 2.98Å; V118-S121 PolarHBondContact O-N 3.07Å; V118-L122 HydrophobicContact CG1-CD1 4.17Å; V118-L122 WeakPolarHBondContact O-CG 3.39Å; V118-L122 PolarHBondContact O-N 3.18Å
119N90Very high85.9Confident11 Ų1158.8 Ų58.86%0.05931%0.311CS..Hα-helixtrans-63.2-43.6175.8-80.1-27.8000111.7N60 F64 L67 G115 Y116 S121 L122 A123N60-N119 PolarHBondContact O-ND2 2.86Å; F64-N119 VanDerWaalsContact CA-OD1 3.29Å; F64-N119 WeakPolarHBondContact CA-OD1 3.44Å; F64-N119 WeakPolarHBondContact CB-OD1 3.3Å; F64-N119 PolarHBondContact N-OD1 3.15Å; L67-N119 HydrophobicContact CD1-CB 4.16Å; L67-N119 VanDerWaalsContact CD1-O 3.29Å; L67-N119 WeakPolarHBondContact CD1-O 3.32Å; G115-N119 PolarHBondContact O-N 2.83Å; G115-N119 VanDerWaalsContact O-N 3.12Å; Y116-N119 PolarHBondContact O-N 3.29Å; N119-S121 VanDerWaalsContact C-N 3.33Å; N119-S121 PolarHBondContact O-N 3.38Å; N119-L122 PolarHBondContact O-N 2.98Å; N119-A123 WeakPolarHBondContact O-CB 3.27Å; N119-A123 PolarHBondContact O-N 2.7Å
120I91.8Very high86.6Confident76 Ų7659 Ų5939%0.3930%0.297SS..Hα-helixtrans-58.8-46.3174.5-69.1167.7000110.7Y116 I117 L122 A123 L124Y116-I120 HydrophobicContact CD1-CD1 3.53Å; Y116-I120 HydrophobicContact CD1-CG1 4.32Å; Y116-I120 HydrophobicContact CE1-CD1 3.48Å; Y116-I120 VanDerWaalsContact CE1-CD1 3.48Å; Y116-I120 HydrophobicContact CE1-CG1 4.25Å; Y116-I120 HydrophobicContact CG-CD1 4.47Å; Y116-I120 WeakPolarHBondContact O-CG1 3.34Å; Y116-I120 PolarHBondContact O-N 3.4Å; I117-I120 PolarHBondContact O-N 3.35Å; I120-L122 PolarHBondContact O-N 2.92Å; I120-A123 PolarHBondContact O-N 3.44Å; I120-L124 HydrophobicContact CG2-CD1 3.83Å; I120-L124 HydrophobicContact CG2-CG 4.19Å; I120-L124 WeakPolarHBondContact O-CB 3.26Å; I120-L124 WeakPolarHBondContact O-CG 3.26Å; I120-L124 PolarHBondContact O-N 3.5Å
121S90.4Very high87.4Confident34 Ų3455.7 Ų55.724%0.23828%0.284CS..Hα-helixtrans-60.5-45.1179-179.30000112.1H84 I117 V118 N119 L124 K125H84-S121 WeakPolarHBondContact NE2-CB 3.46Å; H84-S121 PolarHBondContact NE2-OG 2.85Å; I117-S121 WeakPolarHBondContact O-CB 3.17Å; I117-S121 PolarHBondContact O-N 2.9Å; V118-S121 PolarHBondContact O-N 3.07Å; N119-S121 VanDerWaalsContact C-N 3.33Å; N119-S121 PolarHBondContact O-N 3.38Å; S121-L124 PolarHBondContact O-N 3.32Å; S121-K125 WeakPolarHBondContact O-CB 3.48Å; S121-K125 WeakPolarHBondContact O-CG 3.42Å; S121-K125 PolarHBondContact O-N 3.34Å
122L88.8Confident87.7Confident0 Ų061.9 Ų61.90%031%0.312CS..Hα-helixtrans-63.8-40.2175.9-72.9171.2000112.1F64 L67 Y71 H84 F85 V118 N119 I120 S126F64-L122 HydrophobicContact CD2-CD1 4.13Å; F64-L122 HydrophobicContact CE2-CD1 4.26Å; L67-L122 HydrophobicContact CB-CB 4.03Å; L67-L122 HydrophobicContact CD1-CB 4.46Å; Y71-L122 HydrophobicContact CD1-CD2 4.41Å; Y71-L122 HydrophobicContact CD2-CD2 3.87Å; Y71-L122 HydrophobicContact CE2-CD2 4.39Å; Y71-L122 HydrophobicContact CG-CD2 3.87Å; H84-L122 HydrophobicContact CB-CD2 4.26Å; H84-L122 HydrophobicContact CB-CG 4.47Å; F85-L122 HydrophobicContact CE1-CD1 4.42Å; F85-L122 HydrophobicContact CE1-CD2 4.46Å; V118-L122 HydrophobicContact CG1-CD1 4.17Å; V118-L122 WeakPolarHBondContact O-CG 3.39Å; V118-L122 PolarHBondContact O-N 3.18Å; N119-L122 PolarHBondContact O-N 2.98Å; I120-L122 PolarHBondContact O-N 2.92Å; L122-S126 WeakPolarHBondContact O-CB 3.47Å; L122-S126 PolarHBondContact O-N 3.46Å; L122-S126 PolarHBondContact O-OG 3.19Å
123A91.1Very high87.8Confident26 Ų2662.9 Ų62.922%0.21532%0.324CS..Hα-helixtrans-63.4-50176.500000111.6L67 N119 I120 K125 S126 I127L67-A123 HydrophobicContact CD1-CB 3.93Å; L67-A123 HydrophobicContact CD2-CB 3.84Å; N119-A123 WeakPolarHBondContact O-CB 3.27Å; N119-A123 PolarHBondContact O-N 2.7Å; I120-A123 PolarHBondContact O-N 3.44Å; A123-K125 VanDerWaalsContact C-N 3.33Å; A123-K125 PolarHBondContact O-N 3.17Å; A123-S126 PolarHBondContact O-N 3.3Å; A123-I127 WeakPolarHBondContact O-CB 3.23Å; A123-I127 VanDerWaalsContact O-CG1 3.26Å; A123-I127 WeakPolarHBondContact O-CG1 3.46Å; A123-I127 PolarHBondContact O-N 3.29Å
124L91.4Very high87.1Confident98 Ų9869.6 Ų69.651%0.51334%0.343SS..Hα-helixtrans-59.1-44178.6-71.2174.9000111.6I120 S121 I127 L128I120-L124 HydrophobicContact CG2-CD1 3.83Å; I120-L124 HydrophobicContact CG2-CG 4.19Å; I120-L124 WeakPolarHBondContact O-CB 3.26Å; I120-L124 WeakPolarHBondContact O-CG 3.26Å; I120-L124 PolarHBondContact O-N 3.5Å; S121-L124 PolarHBondContact O-N 3.32Å; L124-I127 PolarHBondContact O-N 3Å; L124-L128 WeakPolarHBondContact O-CB 3.36Å; L124-L128 VanDerWaalsContact O-CG 3.26Å; L124-L128 WeakPolarHBondContact O-CG 3.48Å; L124-L128 PolarHBondContact O-N 3.33Å
125K88.3Confident87.1Confident69 Ų6970.5 Ų70.530%0.334%0.344SS..Hα-helixtrans-64.2-40.7176.8-73.2-175.6178.5-129.70112.9Y71 V80 S121 A123 Y129Y71-K125 HydrophobicContact CD2-CB 4.33Å; Y71-K125 HydrophobicContact CE2-CB 4.1Å; Y71-K125 HydrophobicContact CE2-CD 3.79Å; V80-K125 VanDerWaalsContact CG1-NZ 3.26Å; S121-K125 WeakPolarHBondContact O-CB 3.48Å; S121-K125 WeakPolarHBondContact O-CG 3.42Å; S121-K125 PolarHBondContact O-N 3.34Å; A123-K125 VanDerWaalsContact C-N 3.33Å; A123-K125 PolarHBondContact O-N 3.17Å; K125-Y129 WeakPolarHBondContact O-CB 3.42Å; K125-Y129 PolarHBondContact O-N 3.1Å
126S87.8Confident87.3Confident5 Ų574.2 Ų74.24%0.03536%0.362CS..Hα-helixtrans-65.1-45.4176.9-55.20000110.3L122 A123 Y129 F130L122-S126 WeakPolarHBondContact O-CB 3.47Å; L122-S126 PolarHBondContact O-N 3.46Å; L122-S126 PolarHBondContact O-OG 3.19Å; A123-S126 PolarHBondContact O-N 3.3Å; S126-Y129 PolarHBondContact O-N 3.24Å; S126-F130 WeakPolarHBondContact O-CB 3.39Å; S126-F130 WeakPolarHBondContact O-CD2 3.12Å; S126-F130 PolarHBondContact O-N 3.19Å
127I89.6Confident87.3Confident107 Ų10771.5 Ų71.555%0.54936%0.356SS..Hα-helixtrans-60.2-48.5177.6-68.8164.2000111A123 L124 Y129 F130 S131A123-I127 WeakPolarHBondContact O-CB 3.23Å; A123-I127 VanDerWaalsContact O-CG1 3.26Å; A123-I127 WeakPolarHBondContact O-CG1 3.46Å; A123-I127 PolarHBondContact O-N 3.29Å; L124-I127 PolarHBondContact O-N 3Å; I127-Y129 PolarHBondContact O-N 3.24Å; I127-F130 PolarHBondContact O-N 3.32Å; I127-S131 WeakPolarHBondContact O-CB 3.17Å; I127-S131 PolarHBondContact O-N 3.41Å; I127-S131 PolarHBondContact O-OG 3.4Å
128L88.8Confident87.1Confident106 Ų10670.2 Ų70.256%0.55535%0.349SS*.Hα-helixtrans-59.9-48.6-179.8-74.2169.1000111.6L124 F130 S131 E132L124-L128 WeakPolarHBondContact O-CB 3.36Å; L124-L128 VanDerWaalsContact O-CG 3.26Å; L124-L128 WeakPolarHBondContact O-CG 3.48Å; L124-L128 PolarHBondContact O-N 3.33Å; L128-F130 PolarHBondContact O-N 2.8Å; L128-S131 WeakPolarHBondContact CA-OG 3.45Å; L128-S131 PolarHBondContact O-N 3.3Å; L128-S131 PolarHBondContact O-OG 3.05Å; L128-E132 PolarHBondContact O-N 2.72Å
129Y87.1Confident86.9Confident68 Ų6874 Ų7427%0.26737%0.367SS..Hα-helixtrans-59.7-50.3178.6179.9-94.1000111.7T74 D75 K125 S126 I127 S131 E132 T133T74-Y129 HydrophobicContact CG2-CD1 3.35Å; T74-Y129 HydrophobicContact CG2-CD2 4.46Å; T74-Y129 HydrophobicContact CG2-CE1 3.89Å; T74-Y129 HydrophobicContact CG2-CG 3.68Å; D75-Y129 HydrophobicContact CB-CE2 4.32Å; K125-Y129 WeakPolarHBondContact O-CB 3.42Å; K125-Y129 PolarHBondContact O-N 3.1Å; S126-Y129 PolarHBondContact O-N 3.24Å; I127-Y129 PolarHBondContact O-N 3.24Å; Y129-S131 VanDerWaalsContact C-N 3.29Å; Y129-S131 PolarHBondContact O-N 3.5Å; Y129-E132 PolarHBondContact O-N 3.41Å; Y129-T133 HydrophobicContact CD1-CG2 4.5Å; Y129-T133 HydrophobicContact CE1-CG2 4.13Å
130F86.5Confident86.7Confident56 Ų5678.2 Ų78.225%0.24639%0.387CS..Hα-helixtrans-69.2-31.2-177.5-77.8-61.1000111.9L70 T74 S126 I127 L128 E132 T133 W134L70-F130 HydrophobicContact CB-CE2 4.46Å; L70-F130 HydrophobicContact CD2-CE2 4.23Å; T74-F130 HydrophobicContact CG2-CE2 4.04Å; T74-F130 HydrophobicContact CG2-CZ 4.28Å; S126-F130 WeakPolarHBondContact O-CB 3.39Å; S126-F130 WeakPolarHBondContact O-CD2 3.12Å; S126-F130 PolarHBondContact O-N 3.19Å; I127-F130 PolarHBondContact O-N 3.32Å; L128-F130 PolarHBondContact O-N 2.8Å; F130-E132 PolarHBondContact O-N 3.23Å; F130-T133 VanDerWaalsContact CA-OG1 3.32Å; F130-T133 WeakPolarHBondContact CA-OG1 3.45Å; F130-T133 PolarHBondContact O-N 2.73Å; F130-T133 PolarHBondContact O-OG1 3.48Å; F130-W134 VanDerWaalsContact C-CH2 3.44Å; F130-W134 VanDerWaalsContact C-CZ2 3.45Å; F130-W134 HydrophobicContact CB-CE3 4.36Å; F130-W134 HydrophobicContact CB-CH2 3.36Å; F130-W134 HydrophobicContact CB-CZ2 4.24Å; F130-W134 HydrophobicContact CB-CZ3 3.45Å; F130-W134 VanDerWaalsContact CB-CZ3 3.45Å; F130-W134 HydrophobicContact CD1-CZ3 4.43Å; F130-W134 HydrophobicContact CG-CH2 4.49Å; F130-W134 HydrophobicContact CG-CZ3 4.27Å; F130-W134 WeakPolarHBondContact O-CH2 3.32Å; F130-W134 WeakPolarHBondContact O-CZ2 3.33Å; F130-W134 WeakPolarHBondContact O-CZ3 3.38Å
131S88.3Confident86.3Confident51 Ų5178.4 Ų78.436%0.35739%0.387SS..Hα-helixtrans-62.8-23.8176.171.90000114.9I127 L128 Y129 W134I127-S131 WeakPolarHBondContact O-CB 3.17Å; I127-S131 PolarHBondContact O-N 3.41Å; I127-S131 PolarHBondContact O-OG 3.4Å; L128-S131 WeakPolarHBondContact CA-OG 3.45Å; L128-S131 PolarHBondContact O-N 3.3Å; L128-S131 PolarHBondContact O-OG 3.05Å; Y129-S131 VanDerWaalsContact C-N 3.29Å; Y129-S131 PolarHBondContact O-N 3.5Å; S131-W134 VanDerWaalsContact CA-CZ2 3.46Å
132E84.6Confident86Confident162 Ų16281.8 Ų81.876%0.75740%0.399SS*.Hα-helixtrans-89.8-14.2176.5-66.3178.5176.900112.6L128 Y129 F130L128-E132 PolarHBondContact O-N 2.72Å; Y129-E132 PolarHBondContact O-N 3.41Å; F130-E132 PolarHBondContact O-N 3.23Å
133T77.5Confident85.8Confident83 Ų8388.6 Ų88.651%0.50943%0.432SS..Hα-helixtrans-91.2-7.1-174.6530000115.1Y129 F130Y129-T133 HydrophobicContact CD1-CG2 4.5Å; Y129-T133 HydrophobicContact CE1-CG2 4.13Å; F130-T133 VanDerWaalsContact CA-OG1 3.32Å; F130-T133 WeakPolarHBondContact CA-OG1 3.45Å; F130-T133 PolarHBondContact O-N 2.73Å; F130-T133 PolarHBondContact O-OG1 3.48Å
134W68.8Low85.3Confident232 Ų23294.3 Ų94.388%0.87945%0.451SS*.  trans-122.60174.851.761.5000111.4F130 S131F130-W134 VanDerWaalsContact C-CH2 3.44Å; F130-W134 VanDerWaalsContact C-CZ2 3.45Å; F130-W134 HydrophobicContact CB-CE3 4.36Å; F130-W134 HydrophobicContact CB-CH2 3.36Å; F130-W134 HydrophobicContact CB-CZ2 4.24Å; F130-W134 HydrophobicContact CB-CZ3 3.45Å; F130-W134 VanDerWaalsContact CB-CZ3 3.45Å; F130-W134 HydrophobicContact CD1-CZ3 4.43Å; F130-W134 HydrophobicContact CG-CH2 4.49Å; F130-W134 HydrophobicContact CG-CZ3 4.27Å; F130-W134 WeakPolarHBondContact O-CH2 3.32Å; F130-W134 WeakPolarHBondContact O-CZ2 3.33Å; F130-W134 WeakPolarHBondContact O-CZ3 3.38Å; S131-W134 VanDerWaalsContact CA-CZ2 3.46Å

Retrieved 134 of 134 residues in 85.4 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).