A0A087Y275_POEFO Loading...

glutaminase

AlphaFold DB , UniProt , Accession A0A087Y275, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 538 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
1F41.4Very low55.9Low265 Ų265112.4 Ų112.4100%1.16254%0.539SS*.  0970-84.3-88.7000108.1R3F1-R3 PolarHBondContact O-N 3.15Å
2D44.4Very low57.5Low116 Ų116106 Ų10662%0.6251%0.51SS*.  trans-73.4115.6-163.8-91.9-38.9000113.9S4 R5D2-S4 PolarHBondContact O-N 3.45Å; D2-R5 HydrophobicContact CB-CB 4.15Å; D2-R5 PolarHBondContact O-N 3.01Å
3R48.3Very low59Low222 Ų222105.4 Ų105.484%0.83851%0.51SS*.Hα-helixtrans-58.1-30.7167.9-87.5-179.2169.6-177.3-3112.5F1 L6 M7F1-R3 PolarHBondContact O-N 3.15Å; R3-L6 PolarHBondContact O-N 3.09Å; R3-M7 WeakPolarHBondContact O-CG 3.39Å; R3-M7 PolarHBondContact O-N 3.3Å
4S51.3Low60.2Low81 Ų8198.5 Ų98.557%0.56648%0.477SS*.Hα-helixtrans-66.7-38.1-17963.50000112.9D2 M7 S8D2-S4 PolarHBondContact O-N 3.45Å; S4-M7 PolarHBondContact O-N 3Å; S4-S8 PolarHBondContact O-N 3.29Å
5R52.8Low61.3Low204 Ų20492 Ų9277%0.7745%0.446SS*.Hα-helixtrans-69.7-37.2177.9-126.6177.2-176.1-177.41.1111.8D2 S9D2-R5 HydrophobicContact CB-CB 4.15Å; D2-R5 PolarHBondContact O-N 3.01Å; R5-S9 WeakPolarHBondContact O-CB 3.4Å; R5-S9 PolarHBondContact O-N 3.25Å; R5-S9 VanDerWaalsContact O-N 3.11Å
6L54.9Low62.4Low117 Ų11792.7 Ų92.761%0.61344%0.443SS*.Hα-helixtrans-67.9-41.6175.1-158.982.7000111.5R3 S9 I10R3-L6 PolarHBondContact O-N 3.09Å; L6-S9 WeakPolarHBondContact O-CB 3.39Å; L6-S9 PolarHBondContact O-N 3.21Å; L6-I10 HydrophobicContact CD2-CD1 4.48Å; L6-I10 HydrophobicContact CG-CD1 4.33Å; L6-I10 VanDerWaalsContact O-CG1 3.3Å; L6-I10 WeakPolarHBondContact O-CG1 3.5Å; L6-I10 PolarHBondContact O-N 3.22Å
7M53.1Low63.3Low65 Ų6591.8 Ų91.832%0.3245%0.445SS..Hα-helixtrans-63.7-46177.1-64.5-100.270.800111.6R3 S4 S9 I10 E11 I79 M80R3-M7 WeakPolarHBondContact O-CG 3.39Å; R3-M7 PolarHBondContact O-N 3.3Å; S4-M7 PolarHBondContact O-N 3Å; M7-S9 PolarHBondContact O-N 3.44Å; M7-I10 HydrophobicContact CE-CD1 4.15Å; M7-I10 PolarHBondContact O-N 2.91Å; M7-I10 VanDerWaalsContact O-N 3.12Å; M7-E11 WeakPolarHBondContact O-CG 3.3Å; M7-E11 PolarHBondContact O-N 2.85Å; M7-I79 HydrophobicContact CE-CG2 4.17Å; M7-M80 HydrophobicContact CE-CE 3.63Å
8S58.6Low64Low34 Ų3487.6 Ų87.624%0.23843%0.425CS..Hα-helixtrans-59.3-35173.8177.20000112.4S4 D12 R72S4-S8 PolarHBondContact O-N 3.29Å; S8-D12 VanDerWaalsContact O-CG 3.23Å; S8-D12 PolarHBondContact O-N 3.27Å; S8-R72 VanDerWaalsContact OG-CZ 3.31Å; S8-R72 PolarHBondContact OG-NH1 3.47Å; S8-R72 PolarHBondContact OG-NH2 3.45Å
9S65.9Low64.4Low72 Ų7283.1 Ų83.150%0.50340%0.403SS..Hα-helixtrans-72.3-32.8177.2-175.90000112.7R5 L6 M7 L13R5-S9 WeakPolarHBondContact O-CB 3.4Å; R5-S9 PolarHBondContact O-N 3.25Å; R5-S9 VanDerWaalsContact O-N 3.11Å; L6-S9 WeakPolarHBondContact O-CB 3.39Å; L6-S9 PolarHBondContact O-N 3.21Å; M7-S9 PolarHBondContact O-N 3.44Å; S9-L13 WeakPolarHBondContact O-CB 3.33Å; S9-L13 PolarHBondContact O-N 3.42Å; S9-L13 VanDerWaalsContact O-N 3.07Å
10I71.9Confident65Low37 Ų3786.2 Ų86.219%0.1942%0.422CS..Hα-helixtrans-74.5-39.2178.4-68.1162.9000110.6L6 M7 D12 L13 L14 I79L6-I10 HydrophobicContact CD2-CD1 4.48Å; L6-I10 HydrophobicContact CG-CD1 4.33Å; L6-I10 VanDerWaalsContact O-CG1 3.3Å; L6-I10 WeakPolarHBondContact O-CG1 3.5Å; L6-I10 PolarHBondContact O-N 3.22Å; M7-I10 HydrophobicContact CE-CD1 4.15Å; M7-I10 PolarHBondContact O-N 2.91Å; M7-I10 VanDerWaalsContact O-N 3.12Å; I10-D12 VanDerWaalsContact C-N 3.33Å; I10-D12 PolarHBondContact O-N 3.09Å; I10-L13 PolarHBondContact O-N 2.87Å; I10-L14 WeakPolarHBondContact O-CB 3.15Å; I10-L14 PolarHBondContact O-N 3.04Å; I10-I79 HydrophobicContact CG2-CD1 4.32Å; I10-I79 HydrophobicContact CG2-CG1 4.19Å
11E72.7Confident65.2Low23 Ų2384.4 Ų84.411%0.10743%0.426CS..Hα-helixtrans-59.9-43.9174.2-70.6169.5-177.700111.5M7 L14 F15 F71 R72 I79M7-E11 WeakPolarHBondContact O-CG 3.3Å; M7-E11 PolarHBondContact O-N 2.85Å; E11-L14 PolarHBondContact O-N 3.46Å; E11-F15 PolarHBondContact O-N 3.04Å; E11-F71 WeakPolarHBondContact O-CE1 3.39Å; E11-R72 HydrophobicContact CB-CG 4.09Å; E11-R72 WeakPolarHBondContact OE2-CD 3.37Å; E11-R72 WeakPolarHBondContact OE2-CG 3.38Å; E11-I79 HydrophobicContact CG-CD1 3.92Å; E11-I79 HydrophobicContact CG-CG1 4.07Å
12D74.4Confident66.9Low36 Ų3677.8 Ų77.819%0.19340%0.397CS..Hα-helixtrans-66.4-42.4177-68.5-18.2000112S8 I10 L14 F15 Y16 R72S8-D12 VanDerWaalsContact O-CG 3.23Å; S8-D12 PolarHBondContact O-N 3.27Å; I10-D12 VanDerWaalsContact C-N 3.33Å; I10-D12 PolarHBondContact O-N 3.09Å; D12-L14 VanDerWaalsContact C-N 3.29Å; D12-L14 PolarHBondContact O-N 3.18Å; D12-F15 WeakPolarHBondContact O-CB 3.39Å; D12-F15 PolarHBondContact O-N 2.99Å; D12-Y16 WeakPolarHBondContact O-CD2 3.45Å; D12-Y16 PolarHBondContact O-N 3.4Å; D12-R72 IonicContact OD1-CZ 3.78Å; D12-R72 IonicContact OD1-NE 3.06Å; D12-R72 PolarHBondContact OD1-NE 3.1Å; D12-R72 IonicContact OD1-NH2 3.44Å; D12-R72 PolarHBondContact OD1-NH2 2.8Å; D12-R72 IonicContact OD2-CZ 3.92Å; D12-R72 IonicContact OD2-NH2 3.25Å; D12-R72 PolarHBondContact OD2-NH2 3.36Å
13L76.9Confident68.3Low98 Ų9879.5 Ų79.551%0.51340%0.401SS..Hα-helixtrans-61.8-41.2176.9-171.370.4000111S9 I10 F15 Y16 T17S9-L13 WeakPolarHBondContact O-CB 3.33Å; S9-L13 PolarHBondContact O-N 3.42Å; S9-L13 VanDerWaalsContact O-N 3.07Å; I10-L13 PolarHBondContact O-N 2.87Å; L13-F15 VanDerWaalsContact C-N 3.35Å; L13-Y16 PolarHBondContact O-N 3.33Å; L13-T17 WeakPolarHBondContact O-CB 3.42Å; L13-T17 PolarHBondContact O-N 2.98Å; L13-T17 PolarHBondContact O-OG1 3.11Å
14L76.8Confident69.7Low9 Ų973.2 Ų73.25%0.04738%0.382CS..Hα-helixtrans-63.5-42.8176-171.768000111.1I10 E11 D12 T17 I18 F71 I75 I79 L82 F86I10-L14 WeakPolarHBondContact O-CB 3.15Å; I10-L14 PolarHBondContact O-N 3.04Å; E11-L14 PolarHBondContact O-N 3.46Å; D12-L14 VanDerWaalsContact C-N 3.29Å; D12-L14 PolarHBondContact O-N 3.18Å; L14-T17 PolarHBondContact O-N 3.28Å; L14-I18 HydrophobicContact CD1-CD1 4.38Å; L14-I18 HydrophobicContact CG-CD1 3.98Å; L14-I18 VanDerWaalsContact O-CG1 3.28Å; L14-I18 WeakPolarHBondContact O-CG1 3.37Å; L14-I18 PolarHBondContact O-N 3.11Å; L14-F71 HydrophobicContact CB-CE1 4.35Å; L14-F71 HydrophobicContact CB-CZ 4.43Å; L14-F71 HydrophobicContact CD2-CE1 4.37Å; L14-F71 HydrophobicContact CD2-CZ 4.08Å; L14-F71 HydrophobicContact CG-CE1 4.47Å; L14-F71 HydrophobicContact CG-CZ 4.11Å; L14-I75 HydrophobicContact CD2-CG2 4.5Å; L14-I79 HydrophobicContact CB-CD1 4.47Å; L14-I79 HydrophobicContact CD2-CD1 3.62Å; L14-L82 HydrophobicContact CD2-CB 4.04Å; L14-F86 HydrophobicContact CD1-CB 3.64Å; L14-F86 HydrophobicContact CD1-CD2 3.73Å; L14-F86 HydrophobicContact CD1-CG 3.95Å; L14-F86 HydrophobicContact CD2-CD2 4.37Å; L14-F86 HydrophobicContact CG-CD2 4.36Å
15F75.8Confident71.1Confident1 Ų169.5 Ų69.50%0.00436%0.356CS..Hα-helixtrans-55.7-54.6174.1-177.7-97.7000110.3E11 D12 L13 T17 I18 T19 E23 I25 K68 F71E11-F15 PolarHBondContact O-N 3.04Å; D12-F15 WeakPolarHBondContact O-CB 3.39Å; D12-F15 PolarHBondContact O-N 2.99Å; L13-F15 VanDerWaalsContact C-N 3.35Å; F15-T17 VanDerWaalsContact C-N 3.26Å; F15-T17 PolarHBondContact O-N 3.3Å; F15-I18 PolarHBondContact O-N 3.46Å; F15-T19 HydrophobicContact CD1-CG2 3.77Å; F15-T19 HydrophobicContact CD2-CG2 3.91Å; F15-T19 HydrophobicContact CE1-CG2 3.52Å; F15-T19 HydrophobicContact CE2-CG2 3.69Å; F15-T19 HydrophobicContact CG-CG2 3.96Å; F15-T19 HydrophobicContact CZ-CG2 3.5Å; F15-T19 VanDerWaalsContact CZ-CG2 3.5Å; F15-T19 WeakPolarHBondContact O-CB 3.24Å; F15-T19 WeakPolarHBondContact O-CG2 3.22Å; F15-T19 PolarHBondContact O-N 2.94Å; F15-T19 PolarHBondContact O-OG1 3.18Å; F15-E23 WeakPolarHBondContact CZ-O 3.36Å; F15-I25 HydrophobicContact CE2-CG1 4.24Å; F15-K68 HydrophobicContact CD1-CD 4.42Å; F15-K68 HydrophobicContact CD1-CG 3.68Å; F15-K68 HydrophobicContact CE1-CD 4.39Å; F15-K68 HydrophobicContact CE1-CG 3.54Å; F15-K68 HydrophobicContact CE2-CG 4.44Å; F15-K68 HydrophobicContact CG-CG 4.19Å; F15-K68 HydrophobicContact CZ-CG 3.95Å; F15-F71 HydrophobicContact CB-CD1 3.87Å; F15-F71 HydrophobicContact CB-CE1 3.79Å; F15-F71 HydrophobicContact CB-CG 4.38Å; F15-F71 HydrophobicContact CB-CZ 4.23Å; F15-F71 HydrophobicContact CD2-CB 3.77Å; F15-F71 AromaticContact CD2-CD1 3.92Å; F15-F71 HydrophobicContact CD2-CD1 3.92Å; F15-F71 AromaticContact CD2-CD2 3.72Å; F15-F71 HydrophobicContact CD2-CD2 3.72Å; F15-F71 HydrophobicContact CD2-CE1 4.38Å; F15-F71 HydrophobicContact CD2-CE2 4.19Å; F15-F71 AromaticContact CD2-CG 3.55Å; F15-F71 HydrophobicContact CD2-CG 3.55Å; F15-F71 HydrophobicContact CD2-CZ 4.49Å; F15-F71 HydrophobicContact CE2-CB 4.15Å; F15-F71 HydrophobicContact CE2-CD2 4.39Å; F15-F71 HydrophobicContact CE2-CG 4.33Å; F15-F71 HydrophobicContact CG-CD1 4.36Å; F15-F71 HydrophobicContact CG-CG 4.42Å
16Y78.6Confident72.6Confident103 Ų10361.5 Ų61.540%0.40433%0.33SS..Hα-helixtrans-61.3-32.4179.5-74.1-63.9000114.1D12 L13 I18 D20 G21 K68D12-Y16 WeakPolarHBondContact O-CD2 3.45Å; D12-Y16 PolarHBondContact O-N 3.4Å; L13-Y16 PolarHBondContact O-N 3.33Å; Y16-I18 VanDerWaalsContact C-N 3.31Å; Y16-D20 PolarHBondContact O-N 2.9Å; Y16-G21 PolarHBondContact O-N 2.78Å; Y16-K68 PolarHBondContact OH-NZ 3.44Å
17T78.8Confident73.8Confident77 Ų7756.6 Ų56.647%0.47230%0.304SS..Hα-helixtrans-67.1-33.7175.7-54.10000111.6L13 L14 F15L13-T17 WeakPolarHBondContact O-CB 3.42Å; L13-T17 PolarHBondContact O-N 2.98Å; L13-T17 PolarHBondContact O-OG1 3.11Å; L14-T17 PolarHBondContact O-N 3.28Å; F15-T17 VanDerWaalsContact C-N 3.26Å; F15-T17 PolarHBondContact O-N 3.3Å
18I75.3Confident75.2Confident16 Ų1657.6 Ų57.68%0.08232%0.318CS..Hα-helixtrans-85.8-32179.4-62.2166.1000111.1L14 F15 Y16 I25 F30 F71 F86L14-I18 HydrophobicContact CD1-CD1 4.38Å; L14-I18 HydrophobicContact CG-CD1 3.98Å; L14-I18 VanDerWaalsContact O-CG1 3.28Å; L14-I18 WeakPolarHBondContact O-CG1 3.37Å; L14-I18 PolarHBondContact O-N 3.11Å; F15-I18 PolarHBondContact O-N 3.46Å; Y16-I18 VanDerWaalsContact C-N 3.31Å; I18-I25 HydrophobicContact CG2-CD1 3.98Å; I18-F30 HydrophobicContact CD1-CD2 3.99Å; I18-F30 HydrophobicContact CD1-CE2 3.73Å; I18-F30 HydrophobicContact CG2-CD2 4.27Å; I18-F71 HydrophobicContact CD1-CE2 4Å; I18-F71 HydrophobicContact CD1-CZ 3.85Å; I18-F86 HydrophobicContact CD1-CD1 4.19Å; I18-F86 HydrophobicContact CD1-CD2 3.87Å; I18-F86 HydrophobicContact CD1-CE1 3.89Å; I18-F86 HydrophobicContact CD1-CE2 3.53Å; I18-F86 HydrophobicContact CD1-CG 4.19Å; I18-F86 HydrophobicContact CD1-CZ 3.55Å; I18-F86 HydrophobicContact CG1-CD1 3.87Å; I18-F86 HydrophobicContact CG1-CD2 4.37Å; I18-F86 HydrophobicContact CG1-CE1 3.78Å; I18-F86 HydrophobicContact CG1-CE2 4.28Å; I18-F86 HydrophobicContact CG1-CG 4.18Å; I18-F86 HydrophobicContact CG1-CZ 3.99Å
19T72.1Confident76.4Confident3 Ų359.8 Ų59.82%0.01832%0.324CS..Hα-helixtrans-87.6-4.9-175.2710000113.9F15 G21 K22 I25F15-T19 HydrophobicContact CD1-CG2 3.77Å; F15-T19 HydrophobicContact CD2-CG2 3.91Å; F15-T19 HydrophobicContact CE1-CG2 3.52Å; F15-T19 HydrophobicContact CE2-CG2 3.69Å; F15-T19 HydrophobicContact CG-CG2 3.96Å; F15-T19 HydrophobicContact CZ-CG2 3.5Å; F15-T19 VanDerWaalsContact CZ-CG2 3.5Å; F15-T19 WeakPolarHBondContact O-CB 3.24Å; F15-T19 WeakPolarHBondContact O-CG2 3.22Å; F15-T19 PolarHBondContact O-N 2.94Å; F15-T19 PolarHBondContact O-OG1 3.18Å; T19-G21 PolarHBondContact O-N 3.07Å; T19-G21 VanDerWaalsContact O-N 3.14Å; T19-G21 PolarHBondContact OG1-N 3.44Å; T19-K22 WeakPolarHBondContact CB-O 3.46Å; T19-K22 WeakPolarHBondContact O-CB 3.26Å; T19-K22 WeakPolarHBondContact O-CG 3.41Å; T19-K22 PolarHBondContact O-N 3.46Å; T19-K22 PolarHBondContact OG1-N 3.28Å; T19-K22 PolarHBondContact OG1-O 3.42Å; T19-I25 HydrophobicContact CG2-CB 4.26Å; T19-I25 HydrophobicContact CG2-CD1 4.08Å; T19-I25 HydrophobicContact CG2-CG1 4.08Å; T19-I25 HydrophobicContact CG2-CG2 3.3Å
20D75.3Confident77.2Confident145 Ų14556.3 Ų56.378%0.77530%0.3SS*.THydrogen-bonded Turntrans46.638.7-170.3-64.5-37.5000111.8Y16Y16-D20 PolarHBondContact O-N 2.9Å
21G69.5Low77.8Confident49 Ų4956.8 Ų56.851%0.50530%0.303SS..THydrogen-bonded Turntrans88.2-1.3-178.800000116.4Y16 T19Y16-G21 PolarHBondContact O-N 2.78Å; T19-G21 PolarHBondContact O-N 3.07Å; T19-G21 VanDerWaalsContact O-N 3.14Å; T19-G21 PolarHBondContact OG1-N 3.44Å
22K77.6Confident78.4Confident126 Ų12658.6 Ų58.655%0.54832%0.318SS..  trans-72.6147.7175.7-62.7175.6-175176.30111.9T19T19-K22 WeakPolarHBondContact CB-O 3.46Å; T19-K22 WeakPolarHBondContact O-CB 3.26Å; T19-K22 WeakPolarHBondContact O-CG 3.41Å; T19-K22 PolarHBondContact O-N 3.46Å; T19-K22 PolarHBondContact OG1-N 3.28Å; T19-K22 PolarHBondContact OG1-O 3.42Å
23E74.8Confident78.9Confident152 Ų15258.1 Ų58.171%0.7132%0.319SS*.SBendtrans-78.1-21.8-179.2-64.9-162.5142.700114.1F15F15-E23 WeakPolarHBondContact CZ-O 3.36Å
24M77.8Confident79.3Confident90 Ų9053.6 Ų53.644%0.44330%0.295SS..  trans-142.1137.3-175.9-66.3-98-91.300109.7M65 D67M24-M65 HydrophobicContact CB-CB 4.36Å; M24-M65 HydrophobicContact CB-CE 3.85Å; M24-M65 HydrophobicContact CE-CB 3.48Å; M24-M65 VanDerWaalsContact CE-CB 3.48Å; M24-M65 HydrophobicContact CE-CG 4.25Å; M24-M65 HydrophobicContact SD-CB 4.07Å; M24-D67 HydrophobicContact SD-CB 3.76Å
25I79.6Confident79.7Confident2 Ų260.3 Ų60.31%0.0132%0.32CS..EExtended strand (participates in β ladder)trans-125.4143173.453.3169000111.7F15 I18 T19 F30 M66F15-I25 HydrophobicContact CE2-CG1 4.24Å; I18-I25 HydrophobicContact CG2-CD1 3.98Å; T19-I25 HydrophobicContact CG2-CB 4.26Å; T19-I25 HydrophobicContact CG2-CD1 4.08Å; T19-I25 HydrophobicContact CG2-CG1 4.08Å; T19-I25 HydrophobicContact CG2-CG2 3.3Å; I25-F30 HydrophobicContact CD1-CB 4.1Å; I25-F30 HydrophobicContact CD1-CD2 4.47Å; I25-M66 HydrophobicContact CG1-CB 4.11Å; I25-M66 PolarHBondContact N-O 2.94Å; I25-M66 WeakPolarHBondContact O-CB 3.43Å; I25-M66 PolarHBondContact O-N 3.1Å
26P83.3Confident80.2Confident37 Ų3765.5 Ų65.524%0.2434%0.343CS..EExtended strand (participates in β ladder)trans-68.5138.8170.427.6-30.9000110S28 Q29 F30 M65P26-S28 PolarHBondContact O-N 3.35Å; P26-S28 VanDerWaalsContact O-N 3.12Å; P26-Q29 HydrophobicContact CG-CB 3.8Å; P26-Q29 WeakPolarHBondContact O-CB 3.33Å; P26-Q29 PolarHBondContact O-N 2.91Å; P26-F30 PolarHBondContact O-N 3.43Å; P26-M65 HydrophobicContact CB-SD 4.11Å
27I80.4Confident80.4Confident13 Ų1361.5 Ų61.57%0.06733%0.329CS..Hα-helixtrans-56.2-32.2178.8-67.2-179000111.6Q29 F30 I31 M53 V64 M66I27-Q29 VanDerWaalsContact C-N 3.32Å; I27-Q29 PolarHBondContact O-N 2.84Å; I27-F30 PolarHBondContact O-N 3.27Å; I27-I31 HydrophobicContact CG2-CD1 3.77Å; I27-I31 HydrophobicContact CG2-CG1 4.21Å; I27-I31 WeakPolarHBondContact O-CG1 3.39Å; I27-I31 PolarHBondContact O-N 3.26Å; I27-M53 HydrophobicContact CG2-SD 4.1Å; I27-V64 HydrophobicContact CD1-CB 3.78Å; I27-V64 HydrophobicContact CD1-CG1 3.59Å; I27-V64 HydrophobicContact CG1-CB 4.32Å; I27-V64 HydrophobicContact CG1-CG1 4.27Å; I27-V64 PolarHBondContact N-O 3.19Å; I27-M66 HydrophobicContact CG1-CB 4.19Å
28S82.6Confident80.7Confident87 Ų8758 Ų5861%0.60831%0.308SS*.Hα-helixtrans-60.8-37.9176.255.80000113.1P26 S32P26-S28 PolarHBondContact O-N 3.35Å; P26-S28 VanDerWaalsContact O-N 3.12Å; S28-S32 WeakPolarHBondContact O-CB 3.43Å; S28-S32 PolarHBondContact O-N 3.12Å
29Q84.3Confident81.4Confident79 Ų7957.3 Ų57.337%0.36931%0.305SS..Hα-helixtrans-70.4-38.8177.1-175.3177.6-0.500111.1P26 I27 S32 A33P26-Q29 HydrophobicContact CG-CB 3.8Å; P26-Q29 WeakPolarHBondContact O-CB 3.33Å; P26-Q29 PolarHBondContact O-N 2.91Å; I27-Q29 VanDerWaalsContact C-N 3.32Å; I27-Q29 PolarHBondContact O-N 2.84Å; Q29-S32 PolarHBondContact O-N 3.45Å; Q29-A33 WeakPolarHBondContact O-CB 3.39Å; Q29-A33 PolarHBondContact O-N 3.29Å
30F83.4Confident82Confident0 Ų059.6 Ų59.60%032%0.317CS..Hα-helixtrans-62.4-46.3173.3177.8-101000111.9I18 I25 P26 I27 S32 A33 L34 M53 F71 I75 L82 F86I18-F30 HydrophobicContact CD1-CD2 3.99Å; I18-F30 HydrophobicContact CD1-CE2 3.73Å; I18-F30 HydrophobicContact CG2-CD2 4.27Å; I25-F30 HydrophobicContact CD1-CB 4.1Å; I25-F30 HydrophobicContact CD1-CD2 4.47Å; P26-F30 PolarHBondContact O-N 3.43Å; I27-F30 PolarHBondContact O-N 3.27Å; F30-S32 VanDerWaalsContact C-N 3.31Å; F30-S32 PolarHBondContact O-N 2.93Å; F30-A33 PolarHBondContact O-N 2.94Å; F30-L34 WeakPolarHBondContact O-CB 3.35Å; F30-L34 PolarHBondContact O-N 2.86Å; F30-M53 HydrophobicContact CD1-CE 4.43Å; F30-M53 HydrophobicContact CD1-SD 3.74Å; F30-M53 HydrophobicContact CE1-CE 4.14Å; F30-M53 HydrophobicContact CE1-SD 3.84Å; F30-F71 HydrophobicContact CD2-CE2 4.03Å; F30-F71 AromaticContact CE2-CE2 3.73Å; F30-F71 HydrophobicContact CE2-CE2 3.73Å; F30-F71 HydrophobicContact CE2-CZ 4.42Å; F30-I75 HydrophobicContact CE2-CD1 4.12Å; F30-I75 HydrophobicContact CZ-CD1 3.97Å; F30-L82 HydrophobicContact CZ-CD1 4.4Å; F30-F86 HydrophobicContact CD2-CZ 4.48Å; F30-F86 HydrophobicContact CE2-CE2 4.07Å; F30-F86 HydrophobicContact CE2-CZ 4.02Å
31I83.6Confident82.3Confident47 Ų4754.7 Ų54.724%0.24129%0.292CS..Hα-helixtrans-63.3-39.8177-67.1170.7000110.8I27 L34 R35 T41I27-I31 HydrophobicContact CG2-CD1 3.77Å; I27-I31 HydrophobicContact CG2-CG1 4.21Å; I27-I31 WeakPolarHBondContact O-CG1 3.39Å; I27-I31 PolarHBondContact O-N 3.26Å; I31-L34 PolarHBondContact O-N 3.41Å; I31-R35 WeakPolarHBondContact O-CG 3.32Å; I31-R35 PolarHBondContact O-N 2.96Å; I31-T41 HydrophobicContact CG2-CG2 3.93Å
32S85.4Confident82.9Confident61 Ų6155.9 Ų55.943%0.42729%0.292SS..Hα-helixtrans-61.5-51.8175.2-173.30000110.7S28 Q29 F30 L34 R35 K36S28-S32 WeakPolarHBondContact O-CB 3.43Å; S28-S32 PolarHBondContact O-N 3.12Å; Q29-S32 PolarHBondContact O-N 3.45Å; F30-S32 VanDerWaalsContact C-N 3.31Å; F30-S32 PolarHBondContact O-N 2.93Å; S32-L34 VanDerWaalsContact C-N 3.3Å; S32-L34 PolarHBondContact O-N 3.26Å; S32-R35 WeakPolarHBondContact O-CB 3.49Å; S32-R35 PolarHBondContact O-N 3.46Å; S32-K36 VanDerWaalsContact O-CG 3.3Å; S32-K36 WeakPolarHBondContact O-CG 3.48Å; S32-K36 PolarHBondContact O-N 3.34Å
33A84.2Confident83.2Confident26 Ų2650 Ų5022%0.21527%0.267CS..Hα-helixtrans-59-39.6177.500000112.4Q29 F30 K36 T37 F86Q29-A33 WeakPolarHBondContact O-CB 3.39Å; Q29-A33 PolarHBondContact O-N 3.29Å; F30-A33 PolarHBondContact O-N 2.94Å; A33-K36 WeakPolarHBondContact O-CB 3.3Å; A33-K36 PolarHBondContact O-N 2.68Å; A33-T37 PolarHBondContact O-N 3.35Å; A33-F86 HydrophobicContact CB-CE1 4.09Å
34L85.4Confident83.6Confident3 Ų345 Ų452%0.01625%0.248CC..Hα-helixtrans-63.2-43.8173.9-178.366.5000111.6F30 I31 S32 K36 T37 L39 L46 L82F30-L34 WeakPolarHBondContact O-CB 3.35Å; F30-L34 PolarHBondContact O-N 2.86Å; I31-L34 PolarHBondContact O-N 3.41Å; S32-L34 VanDerWaalsContact C-N 3.3Å; S32-L34 PolarHBondContact O-N 3.26Å; L34-K36 VanDerWaalsContact C-N 3.28Å; L34-K36 PolarHBondContact O-N 2.96Å; L34-T37 PolarHBondContact O-N 2.99Å; L34-T37 VanDerWaalsContact O-N 3.12Å; L34-T37 PolarHBondContact O-OG1 3.18Å; L34-L39 HydrophobicContact CD1-CB 4.04Å; L34-L39 HydrophobicContact CD1-CD1 3.92Å; L34-L39 HydrophobicContact CG-CB 4.33Å; L34-L46 HydrophobicContact CD1-CD1 4.31Å; L34-L46 HydrophobicContact CD2-CD1 3.9Å; L34-L82 HydrophobicContact CD1-CD2 3.54Å
35R85.6Confident83.8Confident150 Ų15043.4 Ų43.457%0.56624%0.237SC*.Hα-helixtrans-62.8-33.9175.1-75.8178.8179.1-172.3-0.6112.3I31 S32 T37 G38I31-R35 WeakPolarHBondContact O-CG 3.32Å; I31-R35 PolarHBondContact O-N 2.96Å; S32-R35 WeakPolarHBondContact O-CB 3.49Å; S32-R35 PolarHBondContact O-N 3.46Å; R35-T37 PolarHBondContact O-N 3.46Å; R35-G38 WeakPolarHBondContact O-CA 3.32Å; R35-G38 PolarHBondContact O-N 3.34Å
36K85.8Confident84Confident110 Ų11043.4 Ų43.448%0.47824%0.237SC..Hα-helixtrans-60-32.5173.9-59.8-158.7162.2-152.20112.9S32 A33 L34 G38 E96S32-K36 VanDerWaalsContact O-CG 3.3Å; S32-K36 WeakPolarHBondContact O-CG 3.48Å; S32-K36 PolarHBondContact O-N 3.34Å; A33-K36 WeakPolarHBondContact O-CB 3.3Å; A33-K36 PolarHBondContact O-N 2.68Å; L34-K36 VanDerWaalsContact C-N 3.28Å; L34-K36 PolarHBondContact O-N 2.96Å; K36-G38 PolarHBondContact O-N 3.45Å; K36-E96 WeakPolarHBondContact CB-OE1 3.09Å; K36-E96 WeakPolarHBondContact CD-OE1 3.35Å; K36-E96 VanDerWaalsContact CE-OE1 3.27Å; K36-E96 WeakPolarHBondContact CE-OE1 3.38Å; K36-E96 WeakPolarHBondContact CG-OE1 3.27Å; K36-E96 IonicContact NZ-OE1 2.71Å; K36-E96 IonicContact NZ-OE2 3.58Å
37T84.7Confident84Confident19 Ų1949.8 Ų49.812%0.11726%0.256CS..THydrogen-bonded Turntrans-71.6-8.6174.471.70000113.3A33 L34 R35 A85 F86 Q142A33-T37 PolarHBondContact O-N 3.35Å; L34-T37 PolarHBondContact O-N 2.99Å; L34-T37 VanDerWaalsContact O-N 3.12Å; L34-T37 PolarHBondContact O-OG1 3.18Å; R35-T37 PolarHBondContact O-N 3.46Å; T37-A85 HydrophobicContact CG2-CB 4.16Å; T37-F86 HydrophobicContact CG2-CE1 4.5Å; T37-Q142 WeakPolarHBondContact O-CG 3.28Å; T37-Q142 PolarHBondContact O-NE2 2.87Å
38G85Confident84Confident4 Ų451.3 Ų51.34%0.04126%0.264CS..THydrogen-bonded Turntrans88.6-3.6-177.600000114.6R35 K36 Q142 R143R35-G38 WeakPolarHBondContact O-CA 3.32Å; R35-G38 PolarHBondContact O-N 3.34Å; K36-G38 PolarHBondContact O-N 3.45Å; G38-Q142 CarbonylContact O-C 3.51Å; G38-Q142 WeakPolarHBondContact O-CA 3.2Å; G38-R143 PolarHBondContact O-N 3Å
39L88.3Confident83.9Confident0 Ų047.3 Ų47.30%024%0.236CC..  trans-76.5134.5174.5-69.7176.8000111.2L34 L46 L81 A85 F90L34-L39 HydrophobicContact CD1-CB 4.04Å; L34-L39 HydrophobicContact CD1-CD1 3.92Å; L34-L39 HydrophobicContact CG-CB 4.33Å; L39-L46 HydrophobicContact CB-CD1 4.35Å; L39-L46 HydrophobicContact CD1-CD1 4.34Å; L39-L81 HydrophobicContact CD1-CD2 4.48Å; L39-L81 HydrophobicContact CD1-CG 4.33Å; L39-A85 HydrophobicContact CD1-CB 4.03Å; L39-F90 HydrophobicContact CD1-CE2 3.95Å; L39-F90 HydrophobicContact CD1-CZ 3.86Å; L39-F90 HydrophobicContact CD2-CE2 4.31Å; L39-F90 HydrophobicContact CD2-CZ 4.35Å; L39-F90 HydrophobicContact CG-CE2 3.93Å; L39-F90 HydrophobicContact CG-CZ 4.21Å
40L85.3Confident83.8Confident52 Ų5244.3 Ų44.327%0.27222%0.223SC..  trans-88.7148.3175.5-64.7177.1000111.3S42 D43 R143L40-S42 WeakPolarHBondContact CB-OG 3.46Å; L40-S42 PolarHBondContact O-N 3.21Å; L40-D43 VanDerWaalsContact O-CB 3.31Å; L40-D43 WeakPolarHBondContact O-CB 3.46Å; L40-D43 PolarHBondContact O-N 3.18Å; L40-D43 VanDerWaalsContact O-N 3.13Å; L40-R143 HydrophobicContact CD1-CB 3.76Å; L40-R143 HydrophobicContact CD1-CG 4.48Å; L40-R143 HydrophobicContact CG-CB 4.11Å
41T82.6Confident83.8Confident41 Ų4150.4 Ų50.425%0.25225%0.246SC..THydrogen-bonded Turntrans-68.4-12.4173.751.50000113.3I31 D43I31-T41 HydrophobicContact CG2-CG2 3.93Å; T41-D43 VanDerWaalsContact C-N 3.32Å
42S81.6Confident83.7Confident74 Ų7450.4 Ų50.452%0.51725%0.245SC..THydrogen-bonded Turntrans-84.9-2.3174.249.40000113.3L40 P44L40-S42 WeakPolarHBondContact CB-OG 3.46Å; L40-S42 PolarHBondContact O-N 3.21Å; S42-P44 WeakPolarHBondContact O-CD 3.39Å
43D83.1Confident83.4Confident4 Ų447.9 Ų47.92%0.02123%0.227CC..  trans-61.2124.5-179.7-167.6-48.6000110.9L40 T41 R45 L46 R47L40-D43 VanDerWaalsContact O-CB 3.31Å; L40-D43 WeakPolarHBondContact O-CB 3.46Å; L40-D43 PolarHBondContact O-N 3.18Å; L40-D43 VanDerWaalsContact O-N 3.13Å; T41-D43 VanDerWaalsContact C-N 3.32Å; D43-R45 PolarHBondContact O-N 2.88Å; D43-R45 VanDerWaalsContact OD1-CB 3.27Å; D43-R45 WeakPolarHBondContact OD1-CB 3.13Å; D43-R45 IonicContact OD1-CZ 2.88Å; D43-R45 PolarHBondContact OD1-N 2.96Å; D43-R45 IonicContact OD1-NE 3.63Å; D43-R45 PolarHBondContact OD1-NE 2.99Å; D43-R45 VanDerWaalsContact OD1-NE 3.09Å; D43-R45 IonicContact OD1-NH2 2.9Å; D43-R45 IonicContact OD2-CZ 3.44Å; D43-R45 IonicContact OD2-NE 3.51Å; D43-R45 PolarHBondContact OD2-NE 3.5Å; D43-R45 IonicContact OD2-NH2 3.34Å; D43-R45 PolarHBondContact OD2-NH2 3.39Å; D43-L46 HydrophobicContact CB-CB 4.32Å; D43-L46 HydrophobicContact CB-CD1 4.22Å; D43-L46 HydrophobicContact CB-CG 4.19Å; D43-L46 PolarHBondContact O-N 2.81Å; D43-R47 PolarHBondContact O-N 2.84Å
44P83.3Confident83.2Confident46 Ų4654.8 Ų54.830%0.29925%0.247SC..G310 helixtrans-54.3-34.7178.1-27.435.5000113.5S42 L46 R47 T314S42-P44 WeakPolarHBondContact O-CD 3.39Å; P44-L46 PolarHBondContact O-N 3.01Å; P44-R47 VanDerWaalsContact O-CB 3.24Å; P44-R47 WeakPolarHBondContact O-CB 3.37Å; P44-R47 PolarHBondContact O-N 3.3Å; P44-T314 HydrophobicContact CG-CG2 4.36Å
45R83.1Confident83.1Confident56 Ų5659.5 Ų59.521%0.21127%0.269CS..G310 helixtrans-65.4-29.3177.3-64.6165.6-54.5165.48.4111.6D43 N78 L81 D140 P312 T313D43-R45 PolarHBondContact O-N 2.88Å; D43-R45 VanDerWaalsContact OD1-CB 3.27Å; D43-R45 WeakPolarHBondContact OD1-CB 3.13Å; D43-R45 IonicContact OD1-CZ 2.88Å; D43-R45 PolarHBondContact OD1-N 2.96Å; D43-R45 IonicContact OD1-NE 3.63Å; D43-R45 PolarHBondContact OD1-NE 2.99Å; D43-R45 VanDerWaalsContact OD1-NE 3.09Å; D43-R45 IonicContact OD1-NH2 2.9Å; D43-R45 IonicContact OD2-CZ 3.44Å; D43-R45 IonicContact OD2-NE 3.51Å; D43-R45 PolarHBondContact OD2-NE 3.5Å; D43-R45 IonicContact OD2-NH2 3.34Å; D43-R45 PolarHBondContact OD2-NH2 3.39Å; R45-N78 PolarHBondContact O-ND2 3.24Å; R45-N78 PolarHBondContact O-OD1 3.09Å; R45-L81 HydrophobicContact CB-CD2 3.86Å; R45-D140 PolarHBondContact NH1-O 3.01Å; R45-D140 VanDerWaalsContact NH1-O 3.1Å; R45-D140 PolarHBondContact NH2-O 3.47Å; R45-P312 PolarHBondContact NE-O 2.85Å; R45-P312 PolarHBondContact NH1-O 3.27Å; R45-P312 PolarHBondContact NH2-O 3.12Å; R45-T313 WeakPolarHBondContact CD-O 3.37Å; R45-T313 VanDerWaalsContact CG-O 3.22Å; R45-T313 WeakPolarHBondContact CG-O 3.13Å; R45-T313 PolarHBondContact NE-O 2.74Å
46L83.9Confident82.6Confident2 Ų252.6 Ų52.61%0.0124%0.244CC..G310 helixtrans-931.2-179.3-61.3-178.6000113.7L34 L39 D43 P44 D48 C49 V50 N78 L81 L82L34-L46 HydrophobicContact CD1-CD1 4.31Å; L34-L46 HydrophobicContact CD2-CD1 3.9Å; L39-L46 HydrophobicContact CB-CD1 4.35Å; L39-L46 HydrophobicContact CD1-CD1 4.34Å; D43-L46 HydrophobicContact CB-CB 4.32Å; D43-L46 HydrophobicContact CB-CD1 4.22Å; D43-L46 HydrophobicContact CB-CG 4.19Å; D43-L46 PolarHBondContact O-N 2.81Å; P44-L46 PolarHBondContact O-N 3.01Å; L46-D48 VanDerWaalsContact C-N 3.35Å; L46-D48 PolarHBondContact O-N 2.91Å; L46-C49 WeakPolarHBondContact O-CB 3.42Å; L46-C49 PolarHBondContact O-N 3.22Å; L46-C49 VanDerWaalsContact O-N 3.14Å; L46-V50 HydrophobicContact CB-CG2 4.48Å; L46-V50 WeakPolarHBondContact O-CG2 3.49Å; L46-V50 PolarHBondContact O-N 3.28Å; L46-N78 HydrophobicContact CD2-CB 4.39Å; L46-L81 HydrophobicContact CD2-CD2 3.96Å; L46-L81 HydrophobicContact CG-CD2 4.31Å; L46-L82 HydrophobicContact CD2-CD2 4.09Å; L46-L82 HydrophobicContact CD2-CG 4.32Å
47R82.3Confident82.1Confident172 Ų17250.6 Ų50.665%0.64924%0.241SC*.Hα-helixtrans-55.3-44.4-173.7-172.4178.368.6-175.8-1.1113.6D43 P44 V50 R51D43-R47 PolarHBondContact O-N 2.84Å; P44-R47 VanDerWaalsContact O-CB 3.24Å; P44-R47 WeakPolarHBondContact O-CB 3.37Å; P44-R47 PolarHBondContact O-N 3.3Å; R47-V50 PolarHBondContact O-N 3.02Å; R47-R51 WeakPolarHBondContact O-CB 3.49Å; R47-R51 PolarHBondContact O-N 3.4Å
48D80.8Confident81.6Confident44 Ų4456.7 Ų56.724%0.23527%0.272CS..Hα-helixtrans-65.8-42.1-179.8-74.2-32000112L46 R51 Q52L46-D48 VanDerWaalsContact C-N 3.35Å; L46-D48 PolarHBondContact O-N 2.91Å; D48-R51 PolarHBondContact O-N 3.05Å; D48-R51 IonicContact OD1-CZ 3.95Å; D48-R51 IonicContact OD1-NH1 3.93Å; D48-R51 IonicContact OD1-NH2 2.73Å; D48-R51 PolarHBondContact OD1-NH2 2.96Å; D48-Q52 WeakPolarHBondContact O-CG 3.31Å; D48-Q52 PolarHBondContact O-N 3.43Å
49C80.9Confident81.1Confident4 Ų462.8 Ų62.83%0.02730%0.304CS..Hα-helixtrans-60.9-49.5176.2-176.30000111L46 R51 Q52 M53 C74L46-C49 WeakPolarHBondContact O-CB 3.42Å; L46-C49 PolarHBondContact O-N 3.22Å; L46-C49 VanDerWaalsContact O-N 3.14Å; C49-R51 VanDerWaalsContact C-N 3.34Å; C49-R51 PolarHBondContact O-N 2.65Å; C49-Q52 PolarHBondContact O-N 2.78Å; C49-M53 WeakPolarHBondContact O-CG 3.27Å; C49-M53 PolarHBondContact O-N 3.43Å; C49-C74 VanDerWaalsContact CA-O 3.26Å; C49-C74 WeakPolarHBondContact CA-O 3.5Å; C49-C74 WeakPolarHBondContact CB-O 3.15Å; C49-C74 PolarHBondContact SG-O 3.35Å
50V82.3Confident80.2Confident16 Ų1665.4 Ų65.410%0.09732%0.322CS..Hα-helixtrans-64.5-38.3179.1176.20000111.6L46 R47 M53 R54L46-V50 HydrophobicContact CB-CG2 4.48Å; L46-V50 WeakPolarHBondContact O-CG2 3.49Å; L46-V50 PolarHBondContact O-N 3.28Å; R47-V50 PolarHBondContact O-N 3.02Å; V50-M53 HydrophobicContact CB-CE 4.4Å; V50-M53 HydrophobicContact CG2-CE 3.94Å; V50-M53 PolarHBondContact O-N 3.37Å; V50-R54 HydrophobicContact CG1-CG 4.46Å; V50-R54 WeakPolarHBondContact O-CB 3.48Å; V50-R54 WeakPolarHBondContact O-CG 3.34Å; V50-R54 PolarHBondContact O-N 2.95Å
51R83.2Confident78.6Confident128 Ų12872.9 Ų72.948%0.48336%0.358SS..Hα-helixtrans-61.7-46.6175.6-176.1-179.264.1-157.8-13.1111.5R47 D48 C49 R54 Q55R47-R51 WeakPolarHBondContact O-CB 3.49Å; R47-R51 PolarHBondContact O-N 3.4Å; D48-R51 PolarHBondContact O-N 3.05Å; D48-R51 IonicContact OD1-CZ 3.95Å; D48-R51 IonicContact OD1-NH1 3.93Å; D48-R51 IonicContact OD1-NH2 2.73Å; D48-R51 PolarHBondContact OD1-NH2 2.96Å; C49-R51 VanDerWaalsContact C-N 3.34Å; C49-R51 PolarHBondContact O-N 2.65Å; R51-R54 PolarHBondContact O-N 2.86Å; R51-Q55 WeakPolarHBondContact O-CG 3.43Å; R51-Q55 PolarHBondContact O-N 2.82Å
52Q80.6Confident77.7Confident46 Ų4672.9 Ų72.922%0.21537%0.366CS..Hα-helixtrans-68-35.7179.1-73.1172.6-37.800112.5D48 C49 S56 R73D48-Q52 WeakPolarHBondContact O-CG 3.31Å; D48-Q52 PolarHBondContact O-N 3.43Å; C49-Q52 PolarHBondContact O-N 2.78Å; Q52-S56 WeakPolarHBondContact O-CB 3.16Å; Q52-S56 PolarHBondContact O-N 3.29Å; Q52-S56 VanDerWaalsContact O-N 3.08Å; Q52-S56 PolarHBondContact O-OG 3.46Å; Q52-R73 VanDerWaalsContact CD-O 3.24Å; Q52-R73 PolarHBondContact NE2-O 3.38Å; Q52-R73 VanDerWaalsContact NE2-O 3.11Å; Q52-R73 PolarHBondContact OE1-O 2.87Å
53M79Confident76.9Confident8 Ų875.3 Ų75.34%0.03938%0.38CS..Hα-helixtrans-62.8-47.2171.9-73.2-171.6-69.500111.1I27 F30 C49 V50 Q55 S56 T57 M66 C74I27-M53 HydrophobicContact CG2-SD 4.1Å; F30-M53 HydrophobicContact CD1-CE 4.43Å; F30-M53 HydrophobicContact CD1-SD 3.74Å; F30-M53 HydrophobicContact CE1-CE 4.14Å; F30-M53 HydrophobicContact CE1-SD 3.84Å; C49-M53 WeakPolarHBondContact O-CG 3.27Å; C49-M53 PolarHBondContact O-N 3.43Å; V50-M53 HydrophobicContact CB-CE 4.4Å; V50-M53 HydrophobicContact CG2-CE 3.94Å; V50-M53 PolarHBondContact O-N 3.37Å; M53-Q55 PolarHBondContact O-N 3.06Å; M53-S56 PolarHBondContact O-N 3.28Å; M53-T57 PolarHBondContact O-N 3.09Å; M53-T57 PolarHBondContact O-OG1 3.3Å; M53-M66 HydrophobicContact CG-CE 4.34Å; M53-C74 HydrophobicContact CG-CB 4.39Å
54R81.3Confident76.4Confident171 Ų17175.9 Ų75.965%0.64538%0.384SS*.Hα-helixtrans-61.9-42.9177.7-75.7-178.6-177.3-177.92112.9V50 R51 S56 T57 L58V50-R54 HydrophobicContact CG1-CG 4.46Å; V50-R54 WeakPolarHBondContact O-CB 3.48Å; V50-R54 WeakPolarHBondContact O-CG 3.34Å; V50-R54 PolarHBondContact O-N 2.95Å; R51-R54 PolarHBondContact O-N 2.86Å; R54-S56 VanDerWaalsContact C-N 3.32Å; R54-S56 PolarHBondContact O-N 3.13Å; R54-T57 PolarHBondContact O-N 3.46Å; R54-L58 WeakPolarHBondContact O-CG 3.38Å; R54-L58 PolarHBondContact O-N 3.11Å
55Q81.5Confident76.1Confident103 Ų10377.9 Ų77.948%0.48139%0.39SS..Hα-helixtrans-58.2-46.6174.7-77.2175.6-20.100111R51 M53 T57 L58 D59R51-Q55 WeakPolarHBondContact O-CG 3.43Å; R51-Q55 PolarHBondContact O-N 2.82Å; M53-Q55 PolarHBondContact O-N 3.06Å; Q55-T57 VanDerWaalsContact C-N 3.28Å; Q55-T57 PolarHBondContact O-N 3.37Å; Q55-L58 PolarHBondContact O-N 3.07Å; Q55-L58 VanDerWaalsContact O-N 3.13Å; Q55-D59 VanDerWaalsContact O-CG 3.27Å; Q55-D59 PolarHBondContact O-N 2.91Å; Q55-D59 VanDerWaalsContact O-N 3.08Å
56S75.3Confident75.8Confident5 Ų575.2 Ų75.24%0.03538%0.38CS..Hα-helixtrans-64.6-32178.9-530000113Q52 M53 R54 S60 R73Q52-S56 WeakPolarHBondContact O-CB 3.16Å; Q52-S56 PolarHBondContact O-N 3.29Å; Q52-S56 VanDerWaalsContact O-N 3.08Å; Q52-S56 PolarHBondContact O-OG 3.46Å; M53-S56 PolarHBondContact O-N 3.28Å; R54-S56 VanDerWaalsContact C-N 3.32Å; R54-S56 PolarHBondContact O-N 3.13Å; S56-S60 PolarHBondContact O-OG 3.46Å; S56-R73 PolarHBondContact OG-NH2 3.15Å
57T76.2Confident75.6Confident68 Ų6878 Ų7842%0.41740%0.395SS..Hα-helixtrans-70.9-37.1172.9-52.20000112.9M53 R54 Q55 D59 S60 V64M53-T57 PolarHBondContact O-N 3.09Å; M53-T57 PolarHBondContact O-OG1 3.3Å; R54-T57 PolarHBondContact O-N 3.46Å; Q55-T57 VanDerWaalsContact C-N 3.28Å; Q55-T57 PolarHBondContact O-N 3.37Å; T57-D59 VanDerWaalsContact C-N 3.33Å; T57-S60 PolarHBondContact O-N 3.28Å; T57-V64 HydrophobicContact CG2-CG2 4.44Å
58L74.4Confident75.2Confident146 Ų14672.7 Ų72.776%0.76438%0.377SS*.Hα-helixtrans-69.8-31.8177.5-72.9163.6000112.4R54 Q55 S60R54-L58 WeakPolarHBondContact O-CG 3.38Å; R54-L58 PolarHBondContact O-N 3.11Å; Q55-L58 PolarHBondContact O-N 3.07Å; Q55-L58 VanDerWaalsContact O-N 3.13Å; L58-S60 PolarHBondContact O-N 3.46Å
59D73.3Confident75.1Confident132 Ų13278.5 Ų78.571%0.70640%0.4SS*.THydrogen-bonded Turntrans-74.4-9.8178.9-64.1-22.5000113.1Q55 T57Q55-D59 VanDerWaalsContact O-CG 3.27Å; Q55-D59 PolarHBondContact O-N 2.91Å; Q55-D59 VanDerWaalsContact O-N 3.08Å; T57-D59 VanDerWaalsContact C-N 3.33Å
60S69.8Low74.9Confident55 Ų5579.7 Ų79.739%0.38541%0.406SS..  trans-122.5131.5-174.2-59.80000112.2S56 T57 L58 G62 V64S56-S60 PolarHBondContact O-OG 3.46Å; T57-S60 PolarHBondContact O-N 3.28Å; L58-S60 PolarHBondContact O-N 3.46Å; S60-G62 PolarHBondContact O-N 3.39Å; S60-V64 VanDerWaalsContact CB-CG2 3.47Å
61M52.3Low74.7Confident210 Ų21079 Ų79100%1.03440%0.402SS*.SBendtrans-79.811.3-180-69.4-76.1168.700114.3
62G63.8Low74.3Confident41 Ų4177.1 Ų77.142%0.42339%0.394SS..SBendtrans-152.3-179-173.900000113.7S60 V64S60-G62 PolarHBondContact O-N 3.39Å; G62-V64 PolarHBondContact O-N 3.23Å
63P63.8Low74.1Confident124 Ų12481.2 Ų81.281%0.80541%0.408SS*.  trans-60.1111.7179.223.8-31.6000110M65P63-M65 PolarHBondContact O-N 3.1Å
64V73.1Confident73.9Confident17 Ų1781 Ų8110%0.10341%0.407CS..  trans-71.9117.9-175.5-178.30000110.1I27 T57 S60 G62I27-V64 HydrophobicContact CD1-CB 3.78Å; I27-V64 HydrophobicContact CD1-CG1 3.59Å; I27-V64 HydrophobicContact CG1-CB 4.32Å; I27-V64 HydrophobicContact CG1-CG1 4.27Å; I27-V64 PolarHBondContact N-O 3.19Å; T57-V64 HydrophobicContact CG2-CG2 4.44Å; S60-V64 VanDerWaalsContact CB-CG2 3.47Å; G62-V64 PolarHBondContact O-N 3.23Å
65M77.7Confident73.6Confident88 Ų8872.8 Ų72.843%0.43338%0.376SS..EExtended strand (participates in β ladder)trans-84.8125.4167.9-60.5-62.9-82.300108.2M24 P26 P63M24-M65 HydrophobicContact CB-CB 4.36Å; M24-M65 HydrophobicContact CB-CE 3.85Å; M24-M65 HydrophobicContact CE-CB 3.48Å; M24-M65 VanDerWaalsContact CE-CB 3.48Å; M24-M65 HydrophobicContact CE-CG 4.25Å; M24-M65 HydrophobicContact SD-CB 4.07Å; P26-M65 HydrophobicContact CB-SD 4.11Å; P63-M65 PolarHBondContact O-N 3.1Å
66M76.6Confident72.8Confident0 Ų069.5 Ų69.50%037%0.369CS..EExtended strand (participates in β ladder)trans-88.3112.6178.3-167.1171.3-149.600108.3I25 I27 M53 L70 F71 C74I25-M66 HydrophobicContact CG1-CB 4.11Å; I25-M66 PolarHBondContact N-O 2.94Å; I25-M66 WeakPolarHBondContact O-CB 3.43Å; I25-M66 PolarHBondContact O-N 3.1Å; I27-M66 HydrophobicContact CG1-CB 4.19Å; M53-M66 HydrophobicContact CG-CE 4.34Å; M66-L70 HydrophobicContact CB-CD2 4.38Å; M66-L70 HydrophobicContact CE-CD2 3.92Å; M66-L70 HydrophobicContact CG-CB 4.47Å; M66-L70 HydrophobicContact CG-CD2 3.7Å; M66-F71 HydrophobicContact CE-CB 4.22Å; M66-F71 HydrophobicContact CE-CD2 4.02Å; M66-F71 HydrophobicContact CE-CG 4.5Å; M66-F71 HydrophobicContact CG-CB 4.13Å; M66-F71 HydrophobicContact CG-CD2 4.47Å; M66-F71 HydrophobicContact SD-CB 4.35Å; M66-F71 HydrophobicContact SD-CD2 3.76Å; M66-C74 HydrophobicContact CE-CB 3.46Å; M66-C74 VanDerWaalsContact CE-CB 3.46Å; M66-C74 VanDerWaalsContact CE-SG 3.57Å
67D78.7Confident72.6Confident59 Ų5975.5 Ų75.532%0.31640%0.401SS..  trans-83.8170.2169.578-23000110.4M24 K69 L70 F71M24-D67 HydrophobicContact SD-CB 3.76Å; D67-K69 PolarHBondContact O-N 3.27Å; D67-K69 PolarHBondContact OD1-N 2.81Å; D67-L70 PolarHBondContact O-N 3.42Å; D67-L70 WeakPolarHBondContact OD1-CA 3.35Å; D67-L70 WeakPolarHBondContact OD1-CB 3.28Å; D67-L70 PolarHBondContact OD1-N 3.1Å; D67-F71 WeakPolarHBondContact O-CB 3.12Å; D67-F71 PolarHBondContact O-N 2.91Å
68K75.3Confident72.5Confident61 Ų6173.5 Ų73.527%0.26539%0.388SS..Hα-helixtrans-57-38.3179.1-68.2176.2-175.1165.50112.7F15 Y16 F71 R72F15-K68 HydrophobicContact CD1-CD 4.42Å; F15-K68 HydrophobicContact CD1-CG 3.68Å; F15-K68 HydrophobicContact CE1-CD 4.39Å; F15-K68 HydrophobicContact CE1-CG 3.54Å; F15-K68 HydrophobicContact CE2-CG 4.44Å; F15-K68 HydrophobicContact CG-CG 4.19Å; F15-K68 HydrophobicContact CZ-CG 3.95Å; Y16-K68 PolarHBondContact OH-NZ 3.44Å; K68-F71 PolarHBondContact O-N 3.27Å; K68-R72 WeakPolarHBondContact O-CG 3.33Å; K68-R72 PolarHBondContact O-N 2.96Å
69K77.3Confident72.6Confident167 Ų16767 Ų6773%0.72635%0.354SS*.Hα-helixtrans-69.5-42.5-177.1-68.1179.8179.4175.40111.2D67 R72 R73D67-K69 PolarHBondContact O-N 3.27Å; D67-K69 PolarHBondContact OD1-N 2.81Å; K69-R72 PolarHBondContact O-N 2.89Å; K69-R73 WeakPolarHBondContact O-CB 3.49Å; K69-R73 PolarHBondContact O-N 3.47Å
70L76.9Confident72.9Confident29 Ų2965.8 Ų65.815%0.15235%0.345CS..Hα-helixtrans-68.2-37175.5-162.6138.2000110.9M66 D67 R73 C74M66-L70 HydrophobicContact CB-CD2 4.38Å; M66-L70 HydrophobicContact CE-CD2 3.92Å; M66-L70 HydrophobicContact CG-CB 4.47Å; M66-L70 HydrophobicContact CG-CD2 3.7Å; D67-L70 PolarHBondContact O-N 3.42Å; D67-L70 WeakPolarHBondContact OD1-CA 3.35Å; D67-L70 WeakPolarHBondContact OD1-CB 3.28Å; D67-L70 PolarHBondContact OD1-N 3.1Å; L70-R73 PolarHBondContact O-N 3Å; L70-C74 WeakPolarHBondContact O-CB 3.47Å; L70-C74 PolarHBondContact O-N 3.18Å; L70-C74 PolarHBondContact O-SG 3.18Å
71F78Confident73.5Confident1 Ų164.4 Ų64.40%0.00433%0.333CS..Hα-helixtrans-58.7-50.9171.8-172-95.6000112.7E11 L14 F15 I18 F30 M66 D67 K68 R73 C74 I75E11-F71 WeakPolarHBondContact O-CE1 3.39Å; L14-F71 HydrophobicContact CB-CE1 4.35Å; L14-F71 HydrophobicContact CB-CZ 4.43Å; L14-F71 HydrophobicContact CD2-CE1 4.37Å; L14-F71 HydrophobicContact CD2-CZ 4.08Å; L14-F71 HydrophobicContact CG-CE1 4.47Å; L14-F71 HydrophobicContact CG-CZ 4.11Å; F15-F71 HydrophobicContact CB-CD1 3.87Å; F15-F71 HydrophobicContact CB-CE1 3.79Å; F15-F71 HydrophobicContact CB-CG 4.38Å; F15-F71 HydrophobicContact CB-CZ 4.23Å; F15-F71 HydrophobicContact CD2-CB 3.77Å; F15-F71 AromaticContact CD2-CD1 3.92Å; F15-F71 HydrophobicContact CD2-CD1 3.92Å; F15-F71 AromaticContact CD2-CD2 3.72Å; F15-F71 HydrophobicContact CD2-CD2 3.72Å; F15-F71 HydrophobicContact CD2-CE1 4.38Å; F15-F71 HydrophobicContact CD2-CE2 4.19Å; F15-F71 AromaticContact CD2-CG 3.55Å; F15-F71 HydrophobicContact CD2-CG 3.55Å; F15-F71 HydrophobicContact CD2-CZ 4.49Å; F15-F71 HydrophobicContact CE2-CB 4.15Å; F15-F71 HydrophobicContact CE2-CD2 4.39Å; F15-F71 HydrophobicContact CE2-CG 4.33Å; F15-F71 HydrophobicContact CG-CD1 4.36Å; F15-F71 HydrophobicContact CG-CG 4.42Å; I18-F71 HydrophobicContact CD1-CE2 4Å; I18-F71 HydrophobicContact CD1-CZ 3.85Å; F30-F71 HydrophobicContact CD2-CE2 4.03Å; F30-F71 AromaticContact CE2-CE2 3.73Å; F30-F71 HydrophobicContact CE2-CE2 3.73Å; F30-F71 HydrophobicContact CE2-CZ 4.42Å; M66-F71 HydrophobicContact CE-CB 4.22Å; M66-F71 HydrophobicContact CE-CD2 4.02Å; M66-F71 HydrophobicContact CE-CG 4.5Å; M66-F71 HydrophobicContact CG-CB 4.13Å; M66-F71 HydrophobicContact CG-CD2 4.47Å; M66-F71 HydrophobicContact SD-CB 4.35Å; M66-F71 HydrophobicContact SD-CD2 3.76Å; D67-F71 WeakPolarHBondContact O-CB 3.12Å; D67-F71 PolarHBondContact O-N 2.91Å; K68-F71 PolarHBondContact O-N 3.27Å; F71-R73 VanDerWaalsContact C-N 3.32Å; F71-R73 PolarHBondContact O-N 3.07Å; F71-C74 PolarHBondContact O-N 3.13Å; F71-C74 VanDerWaalsContact O-N 3.16Å; F71-I75 HydrophobicContact CD1-CD1 3.72Å; F71-I75 HydrophobicContact CD2-CD1 3.48Å; F71-I75 VanDerWaalsContact CD2-CD1 3.48Å; F71-I75 HydrophobicContact CE1-CD1 3.35Å; F71-I75 HydrophobicContact CE2-CD1 3.09Å; F71-I75 HydrophobicContact CG-CD1 3.79Å; F71-I75 HydrophobicContact CZ-CD1 3.02Å; F71-I75 HydrophobicContact CZ-CG1 4.48Å; F71-I75 WeakPolarHBondContact O-CB 3.44Å; F71-I75 PolarHBondContact O-N 2.83Å
72R76.4Confident74.9Confident88 Ų8854.4 Ų54.433%0.33228%0.284SS..Hα-helixtrans-59.4-43.5176.1-68.5-170.5-168170.6-0.2112S8 E11 D12 K68 K69 C74 I75 G76S8-R72 VanDerWaalsContact OG-CZ 3.31Å; S8-R72 PolarHBondContact OG-NH1 3.47Å; S8-R72 PolarHBondContact OG-NH2 3.45Å; E11-R72 HydrophobicContact CB-CG 4.09Å; E11-R72 WeakPolarHBondContact OE2-CD 3.37Å; E11-R72 WeakPolarHBondContact OE2-CG 3.38Å; D12-R72 IonicContact OD1-CZ 3.78Å; D12-R72 IonicContact OD1-NE 3.06Å; D12-R72 PolarHBondContact OD1-NE 3.1Å; D12-R72 IonicContact OD1-NH2 3.44Å; D12-R72 PolarHBondContact OD1-NH2 2.8Å; D12-R72 IonicContact OD2-CZ 3.92Å; D12-R72 IonicContact OD2-NH2 3.25Å; D12-R72 PolarHBondContact OD2-NH2 3.36Å; K68-R72 WeakPolarHBondContact O-CG 3.33Å; K68-R72 PolarHBondContact O-N 2.96Å; K69-R72 PolarHBondContact O-N 2.89Å; R72-C74 VanDerWaalsContact C-N 3.29Å; R72-C74 PolarHBondContact O-N 3.43Å; R72-I75 PolarHBondContact O-N 3.35Å; R72-G76 PolarHBondContact O-N 2.8Å
73R76.2Confident75.9Confident133 Ų13353.2 Ų53.250%0.50227%0.269SS..Hα-helixtrans-58.8-42.5176.7-172175.169.6178.13.7111.6Q52 S56 K69 L70 F71Q52-R73 VanDerWaalsContact CD-O 3.24Å; Q52-R73 PolarHBondContact NE2-O 3.38Å; Q52-R73 VanDerWaalsContact NE2-O 3.11Å; Q52-R73 PolarHBondContact OE1-O 2.87Å; S56-R73 PolarHBondContact OG-NH2 3.15Å; K69-R73 WeakPolarHBondContact O-CB 3.49Å; K69-R73 PolarHBondContact O-N 3.47Å; L70-R73 PolarHBondContact O-N 3Å; F71-R73 VanDerWaalsContact C-N 3.32Å; F71-R73 PolarHBondContact O-N 3.07Å
74C74.6Confident76.7Confident2 Ų252.2 Ų52.21%0.01425%0.252CS..Hα-helixtrans-71.7-28.7-179.8-74.60000114.2C49 M53 M66 L70 F71 R72C49-C74 VanDerWaalsContact CA-O 3.26Å; C49-C74 WeakPolarHBondContact CA-O 3.5Å; C49-C74 WeakPolarHBondContact CB-O 3.15Å; C49-C74 PolarHBondContact SG-O 3.35Å; M53-C74 HydrophobicContact CG-CB 4.39Å; M66-C74 HydrophobicContact CE-CB 3.46Å; M66-C74 VanDerWaalsContact CE-CB 3.46Å; M66-C74 VanDerWaalsContact CE-SG 3.57Å; L70-C74 WeakPolarHBondContact O-CB 3.47Å; L70-C74 PolarHBondContact O-N 3.18Å; L70-C74 PolarHBondContact O-SG 3.18Å; F71-C74 PolarHBondContact O-N 3.13Å; F71-C74 VanDerWaalsContact O-N 3.16Å; R72-C74 VanDerWaalsContact C-N 3.29Å; R72-C74 PolarHBondContact O-N 3.43Å
75I73.6Confident77.3Confident0 Ų051.6 Ų51.60%025%0.248CC..Hα-helixtrans-110.6-17.2-166.7-71.5170.5000113.6L14 F30 F71 R72 N77 N78 I79 L82L14-I75 HydrophobicContact CD2-CG2 4.5Å; F30-I75 HydrophobicContact CE2-CD1 4.12Å; F30-I75 HydrophobicContact CZ-CD1 3.97Å; F71-I75 HydrophobicContact CD1-CD1 3.72Å; F71-I75 HydrophobicContact CD2-CD1 3.48Å; F71-I75 VanDerWaalsContact CD2-CD1 3.48Å; F71-I75 HydrophobicContact CE1-CD1 3.35Å; F71-I75 HydrophobicContact CE2-CD1 3.09Å; F71-I75 HydrophobicContact CG-CD1 3.79Å; F71-I75 HydrophobicContact CZ-CD1 3.02Å; F71-I75 HydrophobicContact CZ-CG1 4.48Å; F71-I75 WeakPolarHBondContact O-CB 3.44Å; F71-I75 PolarHBondContact O-N 2.83Å; R72-I75 PolarHBondContact O-N 3.35Å; I75-N77 PolarHBondContact O-N 3.25Å; I75-N78 CarbonylContact O-C 3.57Å; I75-N78 PolarHBondContact O-N 3.01Å; I75-I79 HydrophobicContact CG2-CB 3.93Å; I75-I79 HydrophobicContact CG2-CD1 3.57Å; I75-I79 HydrophobicContact CG2-CG1 4.33Å; I75-I79 PolarHBondContact O-N 2.8Å; I75-L82 HydrophobicContact CB-CD1 4.3Å; I75-L82 HydrophobicContact CD1-CD1 4.03Å; I75-L82 HydrophobicContact CG1-CD1 3.68Å; I75-L82 HydrophobicContact CG2-CD1 3.86Å
76G65.6Low77.5Confident33 Ų3349.1 Ų49.134%0.3424%0.235SC..THydrogen-bonded Turntrans-48-37.4-170.400000116R72R72-G76 PolarHBondContact O-N 2.8Å
77N70.7Confident77.8Confident132 Ų13256.1 Ų56.171%0.70626%0.261SS*.THydrogen-bonded Turntrans-82.6-22.6179.1-67.9-6.7000114I75I75-N77 PolarHBondContact O-N 3.25Å
78N74.9Confident77.9Confident26 Ų2657.7 Ų57.714%0.13927%0.266CS..THydrogen-bonded Turntrans-116.89.9-168.2-65.4-21000113.7R45 L46 I75 M80 L81 L82R45-N78 PolarHBondContact O-ND2 3.24Å; R45-N78 PolarHBondContact O-OD1 3.09Å; L46-N78 HydrophobicContact CD2-CB 4.39Å; I75-N78 CarbonylContact O-C 3.57Å; I75-N78 PolarHBondContact O-N 3.01Å; N78-M80 PolarHBondContact O-N 2.82Å; N78-M80 VanDerWaalsContact O-N 3.15Å; N78-L81 PolarHBondContact O-N 2.91Å; N78-L82 PolarHBondContact O-N 2.82Å
79I75.8Confident78.2Confident8 Ų859.6 Ų59.64%0.04128%0.279CS..Hα-helixtrans-56.6-34-172.8-176.260.4000113M7 I10 E11 L14 I75 T83M7-I79 HydrophobicContact CE-CG2 4.17Å; I10-I79 HydrophobicContact CG2-CD1 4.32Å; I10-I79 HydrophobicContact CG2-CG1 4.19Å; E11-I79 HydrophobicContact CG-CD1 3.92Å; E11-I79 HydrophobicContact CG-CG1 4.07Å; L14-I79 HydrophobicContact CB-CD1 4.47Å; L14-I79 HydrophobicContact CD2-CD1 3.62Å; I75-I79 HydrophobicContact CG2-CB 3.93Å; I75-I79 HydrophobicContact CG2-CD1 3.57Å; I75-I79 HydrophobicContact CG2-CG1 4.33Å; I75-I79 PolarHBondContact O-N 2.8Å; I79-T83 WeakPolarHBondContact O-CB 3.24Å; I79-T83 PolarHBondContact O-N 3.13Å; I79-T83 PolarHBondContact O-OG1 3.2Å
80M79.4Confident78.7Confident108 Ų10852.1 Ų52.153%0.53225%0.246SC..Hα-helixtrans-67.1-42-179.1-67.7-66.79200113.1M7 N78 K84M7-M80 HydrophobicContact CE-CE 3.63Å; N78-M80 PolarHBondContact O-N 2.82Å; N78-M80 VanDerWaalsContact O-N 3.15Å; M80-K84 WeakPolarHBondContact O-CG 3.37Å; M80-K84 PolarHBondContact O-N 2.97Å; M80-K84 VanDerWaalsContact O-N 3.13Å
81L82.6Confident79.2Confident25 Ų2552.9 Ų52.913%0.13125%0.25CC..Hα-helixtrans-68.2-46.5177.7179.563.1000110.6L39 R45 L46 N78 T83 K84 A85 F90L39-L81 HydrophobicContact CD1-CD2 4.48Å; L39-L81 HydrophobicContact CD1-CG 4.33Å; R45-L81 HydrophobicContact CB-CD2 3.86Å; L46-L81 HydrophobicContact CD2-CD2 3.96Å; L46-L81 HydrophobicContact CG-CD2 4.31Å; N78-L81 PolarHBondContact O-N 2.91Å; L81-T83 VanDerWaalsContact C-N 3.34Å; L81-T83 PolarHBondContact O-N 3.2Å; L81-K84 WeakPolarHBondContact O-CB 3.25Å; L81-K84 PolarHBondContact O-N 3.31Å; L81-A85 PolarHBondContact O-N 3.06Å; L81-F90 HydrophobicContact CD1-CE1 4.1Å; L81-F90 HydrophobicContact CD1-CZ 4.04Å
82L82.7Confident79.7Confident1 Ų152.9 Ų52.91%0.00525%0.25CC..Hα-helixtrans-65.6-38.3179.1-67.1172.7000111.7L14 F30 L34 L46 I75 N78 K84 A85 F86L14-L82 HydrophobicContact CD2-CB 4.04Å; F30-L82 HydrophobicContact CZ-CD1 4.4Å; L34-L82 HydrophobicContact CD1-CD2 3.54Å; L46-L82 HydrophobicContact CD2-CD2 4.09Å; L46-L82 HydrophobicContact CD2-CG 4.32Å; I75-L82 HydrophobicContact CB-CD1 4.3Å; I75-L82 HydrophobicContact CD1-CD1 4.03Å; I75-L82 HydrophobicContact CG1-CD1 3.68Å; I75-L82 HydrophobicContact CG2-CD1 3.86Å; N78-L82 PolarHBondContact O-N 2.82Å; L82-K84 VanDerWaalsContact C-N 3.31Å; L82-K84 PolarHBondContact O-N 3.44Å; L82-A85 WeakPolarHBondContact O-CB 3.34Å; L82-A85 PolarHBondContact O-N 3.45Å; L82-F86 HydrophobicContact CB-CD2 4.33Å; L82-F86 HydrophobicContact CB-CE2 4.4Å; L82-F86 HydrophobicContact CD2-CE2 4.14Å; L82-F86 WeakPolarHBondContact O-CD2 3.37Å; L82-F86 PolarHBondContact O-N 3.02Å
83T83.1Confident80Confident15 Ų1549.4 Ų49.49%0.09224%0.239CC..Hα-helixtrans-60.7-41.8174-60.70000111.1I79 L81 R87I79-T83 WeakPolarHBondContact O-CB 3.24Å; I79-T83 PolarHBondContact O-N 3.13Å; I79-T83 PolarHBondContact O-OG1 3.2Å; L81-T83 VanDerWaalsContact C-N 3.34Å; L81-T83 PolarHBondContact O-N 3.2Å; T83-R87 HydrophobicContact CG2-CG 4.32Å; T83-R87 WeakPolarHBondContact O-CB 3.23Å; T83-R87 WeakPolarHBondContact O-CG 3.3Å; T83-R87 PolarHBondContact O-N 2.95Å; T83-R87 VanDerWaalsContact O-N 3.1Å
84K82.3Confident80.5Confident104 Ų10444.3 Ų44.345%0.45222%0.222SC..Hα-helixtrans-64.1-42.3174.3-74-177.6177.8-171.30111.9M80 L81 L82 N89 F90M80-K84 WeakPolarHBondContact O-CG 3.37Å; M80-K84 PolarHBondContact O-N 2.97Å; M80-K84 VanDerWaalsContact O-N 3.13Å; L81-K84 WeakPolarHBondContact O-CB 3.25Å; L81-K84 PolarHBondContact O-N 3.31Å; L82-K84 VanDerWaalsContact C-N 3.31Å; L82-K84 PolarHBondContact O-N 3.44Å; K84-N89 PolarHBondContact O-N 3.29Å; K84-F90 HydrophobicContact CB-CD1 4.17Å; K84-F90 HydrophobicContact CB-CE1 3.76Å
85A84Confident81.1Confident4 Ų444.7 Ų44.73%0.03322%0.223CC..Hα-helixtrans-60.2-55.5179.600000111.9T37 L39 L81 L82 R87 K88 F90T37-A85 HydrophobicContact CG2-CB 4.16Å; L39-A85 HydrophobicContact CD1-CB 4.03Å; L81-A85 PolarHBondContact O-N 3.06Å; L82-A85 WeakPolarHBondContact O-CB 3.34Å; L82-A85 PolarHBondContact O-N 3.45Å; A85-R87 PolarHBondContact O-N 3.02Å; A85-K88 PolarHBondContact O-N 3.12Å; A85-F90 VanDerWaalsContact CA-CE2 3.45Å; A85-F90 VanDerWaalsContact CA-CZ 3.45Å; A85-F90 HydrophobicContact CB-CD2 4.34Å; A85-F90 HydrophobicContact CB-CE1 4.3Å; A85-F90 HydrophobicContact CB-CE2 3.41Å; A85-F90 VanDerWaalsContact CB-CE2 3.41Å; A85-F90 HydrophobicContact CB-CZ 3.39Å
86F83Confident81.7Confident36 Ų3648.6 Ų48.616%0.15824%0.241CC..Hα-helixtrans-75.6-21.8-175-71.8-71000113.7L14 I18 F30 A33 T37 L82 K88L14-F86 HydrophobicContact CD1-CB 3.64Å; L14-F86 HydrophobicContact CD1-CD2 3.73Å; L14-F86 HydrophobicContact CD1-CG 3.95Å; L14-F86 HydrophobicContact CD2-CD2 4.37Å; L14-F86 HydrophobicContact CG-CD2 4.36Å; I18-F86 HydrophobicContact CD1-CD1 4.19Å; I18-F86 HydrophobicContact CD1-CD2 3.87Å; I18-F86 HydrophobicContact CD1-CE1 3.89Å; I18-F86 HydrophobicContact CD1-CE2 3.53Å; I18-F86 HydrophobicContact CD1-CG 4.19Å; I18-F86 HydrophobicContact CD1-CZ 3.55Å; I18-F86 HydrophobicContact CG1-CD1 3.87Å; I18-F86 HydrophobicContact CG1-CD2 4.37Å; I18-F86 HydrophobicContact CG1-CE1 3.78Å; I18-F86 HydrophobicContact CG1-CE2 4.28Å; I18-F86 HydrophobicContact CG1-CG 4.18Å; I18-F86 HydrophobicContact CG1-CZ 3.99Å; F30-F86 HydrophobicContact CD2-CZ 4.48Å; F30-F86 HydrophobicContact CE2-CE2 4.07Å; F30-F86 HydrophobicContact CE2-CZ 4.02Å; A33-F86 HydrophobicContact CB-CE1 4.09Å; T37-F86 HydrophobicContact CG2-CE1 4.5Å; L82-F86 HydrophobicContact CB-CD2 4.33Å; L82-F86 HydrophobicContact CB-CE2 4.4Å; L82-F86 HydrophobicContact CD2-CE2 4.14Å; L82-F86 WeakPolarHBondContact O-CD2 3.37Å; L82-F86 PolarHBondContact O-N 3.02Å; F86-K88 PolarHBondContact O-N 3.01Å
87R81.9Confident82.8Confident146 Ų14651.6 Ų51.655%0.55125%0.25SC*.THydrogen-bonded Turntrans-77.84.4170.8-72.9-175.8178.3-162.2-0.6113.8T83 A85 N89 R416T83-R87 HydrophobicContact CG2-CG 4.32Å; T83-R87 WeakPolarHBondContact O-CB 3.23Å; T83-R87 WeakPolarHBondContact O-CG 3.3Å; T83-R87 PolarHBondContact O-N 2.95Å; T83-R87 VanDerWaalsContact O-N 3.1Å; A85-R87 PolarHBondContact O-N 3.02Å; R87-N89 HydrophobicContact CB-CB 4.36Å; R87-N89 PolarHBondContact O-N 3.22Å; R87-R416 PolarHBondContact O-NH2 2.51Å
88K81Confident83.7Confident93 Ų9345.7 Ų45.740%0.40422%0.217SC..THydrogen-bonded Turntrans49.643.3-171.6-61.8-169175.3-166.30111.4A85 F86 P93 D94 R416A85-K88 PolarHBondContact O-N 3.12Å; F86-K88 PolarHBondContact O-N 3.01Å; K88-P93 HydrophobicContact CB-CB 4.12Å; K88-D94 IonicContact NZ-OD1 3.47Å; K88-D94 PolarHBondContact NZ-OD1 2.64Å; K88-R416 PolarHBondContact O-NE 3.25Å; K88-R416 PolarHBondContact O-NH2 3.43Å
89N83Confident84.4Confident100 Ų10045 Ų4554%0.53522%0.215SC..  trans-106.520.2180-16342.7000111.9K84 R87K84-N89 PolarHBondContact O-N 3.29Å; R87-N89 HydrophobicContact CB-CB 4.36Å; R87-N89 PolarHBondContact O-N 3.22Å
90F87.1Confident85.2Confident11 Ų1150 Ų505%0.04824%0.237CC..SBendtrans-79.4159.9163.9-69.2-24000110.5L39 L81 K84 A85 I92 D140 Q142L39-F90 HydrophobicContact CD1-CE2 3.95Å; L39-F90 HydrophobicContact CD1-CZ 3.86Å; L39-F90 HydrophobicContact CD2-CE2 4.31Å; L39-F90 HydrophobicContact CD2-CZ 4.35Å; L39-F90 HydrophobicContact CG-CE2 3.93Å; L39-F90 HydrophobicContact CG-CZ 4.21Å; L81-F90 HydrophobicContact CD1-CE1 4.1Å; L81-F90 HydrophobicContact CD1-CZ 4.04Å; K84-F90 HydrophobicContact CB-CD1 4.17Å; K84-F90 HydrophobicContact CB-CE1 3.76Å; A85-F90 VanDerWaalsContact CA-CE2 3.45Å; A85-F90 VanDerWaalsContact CA-CZ 3.45Å; A85-F90 HydrophobicContact CB-CD2 4.34Å; A85-F90 HydrophobicContact CB-CE1 4.3Å; A85-F90 HydrophobicContact CB-CE2 3.41Å; A85-F90 VanDerWaalsContact CB-CE2 3.41Å; A85-F90 HydrophobicContact CB-CZ 3.39Å; F90-I92 PolarHBondContact O-N 3.02Å; F90-D140 VanDerWaalsContact CA-OD2 3.28Å; F90-D140 WeakPolarHBondContact CA-OD2 3.37Å; F90-D140 HydrophobicContact CB-CB 4.3Å; F90-D140 HydrophobicContact CD1-CB 3.58Å; F90-D140 HydrophobicContact CE1-CB 3.96Å; F90-D140 HydrophobicContact CG-CB 3.95Å; F90-Q142 HydrophobicContact CD2-CG 3.66Å; F90-Q142 HydrophobicContact CE2-CG 4.09Å; F90-Q142 HydrophobicContact CG-CG 4.35Å
91I86.7Confident85.7Confident44 Ų4447 Ų4723%0.22622%0.222CC..SBendtrans-58.8-29-179.3-165.458.3000112.3T138 I139 D140 V366 R414I91-T138 HydrophobicContact CG2-CG2 4.43Å; I91-I139 HydrophobicContact CB-CG1 4.32Å; I91-I139 HydrophobicContact CG2-CG1 4.03Å; I91-D140 PolarHBondContact N-OD2 3.27Å; I91-V366 HydrophobicContact CG1-CG1 4.32Å; I91-R414 HydrophobicContact CD1-CG 4.07Å; I91-R414 HydrophobicContact CG1-CG 4.23Å; I91-R414 VanDerWaalsContact O-CA 3.25Å; I91-R414 WeakPolarHBondContact O-CA 3.39Å
92I88.4Confident86.2Confident1 Ų145.8 Ų45.81%0.00522%0.216CC..SBendtrans-116.699.7167.9-61.4175.7000107.7F90 F95 F98 T138 Q142 M367 P413F90-I92 PolarHBondContact O-N 3.02Å; I92-F95 HydrophobicContact CB-CD2 4.43Å; I92-F95 HydrophobicContact CG2-CD2 4.15Å; I92-F98 HydrophobicContact CD1-CD1 4.11Å; I92-F98 HydrophobicContact CD1-CD2 4.41Å; I92-F98 HydrophobicContact CD1-CE1 4Å; I92-F98 HydrophobicContact CD1-CE2 4.31Å; I92-F98 HydrophobicContact CD1-CG 4.32Å; I92-F98 HydrophobicContact CD1-CZ 4.1Å; I92-F98 HydrophobicContact CG2-CB 4.05Å; I92-F98 HydrophobicContact CG2-CG 4.21Å; I92-T138 HydrophobicContact CD1-CG2 3.89Å; I92-T138 HydrophobicContact CG1-CG2 4.49Å; I92-Q142 PolarHBondContact O-NE2 3.07Å; I92-M367 HydrophobicContact CD1-SD 4.43Å; I92-P413 HydrophobicContact CG1-CB 4.4Å; I92-P413 HydrophobicContact CG2-CB 4.31Å
93P84.4Confident86.8Confident16 Ų1647.5 Ų47.510%0.10423%0.225CC..SBendtrans-63-48.4-178.8-26.237.1000113.2K88 F95 P413 R416K88-P93 HydrophobicContact CB-CB 4.12Å; P93-F95 PolarHBondContact O-N 3.3Å; P93-P413 VanDerWaalsContact CD-O 3.23Å; P93-P413 WeakPolarHBondContact CD-O 3.42Å; P93-R416 HydrophobicContact CB-CG 4.08Å; P93-R416 HydrophobicContact CG-CG 3.91Å
94D85.7Confident87.2Confident26 Ų2654 Ų5414%0.13925%0.248CC..  trans-103.277-175.7-61.5-47.2000110K88 F98 T417K88-D94 IonicContact NZ-OD1 3.47Å; K88-D94 PolarHBondContact NZ-OD1 2.64Å; D94-F98 PolarHBondContact O-N 3.39Å; D94-T417 HydrophobicContact CB-CG2 4.44Å; D94-T417 WeakPolarHBondContact OD2-CB 3.31Å; D94-T417 VanDerWaalsContact OD2-CG2 3.32Å; D94-T417 WeakPolarHBondContact OD2-CG2 3.33Å; D94-T417 PolarHBondContact OD2-N 2.86Å; D94-T417 PolarHBondContact OD2-OG1 3.34Å
95F86.9Confident87.8Confident9 Ų949.2 Ų49.24%0.03923%0.227CC..Hα-helixtrans-70.7-29.9-175.1-163.5-106.7000113.1I92 P93 F98 T99 T138 Q142I92-F95 HydrophobicContact CB-CD2 4.43Å; I92-F95 HydrophobicContact CG2-CD2 4.15Å; P93-F95 PolarHBondContact O-N 3.3Å; F95-F98 HydrophobicContact CD2-CD1 4.23Å; F95-F98 HydrophobicContact CE2-CD1 4.12Å; F95-F98 HydrophobicContact CE2-CE1 4.48Å; F95-F98 PolarHBondContact O-N 2.72Å; F95-T99 HydrophobicContact CD1-CG2 3.72Å; F95-T99 HydrophobicContact CE1-CG2 3.46Å; F95-T99 VanDerWaalsContact CE1-CG2 3.46Å; F95-T99 HydrophobicContact CE2-CG2 4.48Å; F95-T99 HydrophobicContact CG-CG2 4.35Å; F95-T99 HydrophobicContact CZ-CG2 3.89Å; F95-T99 VanDerWaalsContact O-CG2 3.26Å; F95-T99 WeakPolarHBondContact O-CG2 3.39Å; F95-T99 PolarHBondContact O-N 3.36Å; F95-T99 PolarHBondContact O-OG1 2.77Å; F95-T99 VanDerWaalsContact O-OG1 3.12Å; F95-T138 HydrophobicContact CE2-CG2 4.19Å; F95-Q142 HydrophobicContact CD2-CB 3.99Å; F95-Q142 HydrophobicContact CE1-CB 4.5Å; F95-Q142 HydrophobicContact CE2-CB 3.68Å; F95-Q142 HydrophobicContact CZ-CB 3.95Å
96E87.1Confident88.2Confident82 Ų8249.8 Ų49.838%0.38323%0.229SC..Hα-helixtrans-63.1-50.2177.8-71.2-171158.600111.2K36 F98 T99 H100K36-E96 WeakPolarHBondContact CB-OE1 3.09Å; K36-E96 WeakPolarHBondContact CD-OE1 3.35Å; K36-E96 VanDerWaalsContact CE-OE1 3.27Å; K36-E96 WeakPolarHBondContact CE-OE1 3.38Å; K36-E96 WeakPolarHBondContact CG-OE1 3.27Å; K36-E96 IonicContact NZ-OE1 2.71Å; K36-E96 IonicContact NZ-OE2 3.58Å; E96-F98 VanDerWaalsContact C-N 3.31Å; E96-F98 PolarHBondContact O-N 3.18Å; E96-T99 PolarHBondContact O-N 3.05Å; E96-T99 PolarHBondContact O-OG1 2.97Å; E96-H100 PolarHBondContact O-N 3.46Å; E96-H100 PolarHBondContact O-ND1 3.26Å
97D87.3Confident88.7Confident97 Ų9753.5 Ų53.552%0.51925%0.247SC..Hα-helixtrans-63.8-39.7179.2-66.6-30.8000111.7T99 H100 Q101D97-T99 PolarHBondContact O-N 3.08Å; D97-H100 PolarHBondContact O-N 3.48Å; D97-Q101 PolarHBondContact O-N 3.34Å; D97-Q101 VanDerWaalsContact O-N 3.11Å
98F89.6Confident89.2Confident7 Ų749.6 Ų49.63%0.03124%0.237CC..Hα-helixtrans-58.4-46.3174.2177.6-103.3000111.8I92 D94 F95 E96 H100 Q101 I102 I136 M367 F396 F398 P413I92-F98 HydrophobicContact CD1-CD1 4.11Å; I92-F98 HydrophobicContact CD1-CD2 4.41Å; I92-F98 HydrophobicContact CD1-CE1 4Å; I92-F98 HydrophobicContact CD1-CE2 4.31Å; I92-F98 HydrophobicContact CD1-CG 4.32Å; I92-F98 HydrophobicContact CD1-CZ 4.1Å; I92-F98 HydrophobicContact CG2-CB 4.05Å; I92-F98 HydrophobicContact CG2-CG 4.21Å; D94-F98 PolarHBondContact O-N 3.39Å; F95-F98 HydrophobicContact CD2-CD1 4.23Å; F95-F98 HydrophobicContact CE2-CD1 4.12Å; F95-F98 HydrophobicContact CE2-CE1 4.48Å; F95-F98 PolarHBondContact O-N 2.72Å; E96-F98 VanDerWaalsContact C-N 3.31Å; E96-F98 PolarHBondContact O-N 3.18Å; F98-H100 VanDerWaalsContact C-N 3.35Å; F98-H100 PolarHBondContact O-N 3.3Å; F98-Q101 PolarHBondContact O-N 3.45Å; F98-I102 HydrophobicContact CD1-CG1 4.27Å; F98-I102 HydrophobicContact CE1-CD1 4.33Å; F98-I102 HydrophobicContact CE1-CG1 3.85Å; F98-I102 HydrophobicContact CE2-CD1 4.16Å; F98-I102 HydrophobicContact CE2-CG1 4.22Å; F98-I102 HydrophobicContact CZ-CD1 3.81Å; F98-I102 HydrophobicContact CZ-CG1 3.81Å; F98-I102 WeakPolarHBondContact O-CG1 3.3Å; F98-I102 PolarHBondContact O-N 3.31Å; F98-I136 HydrophobicContact CE1-CD1 4.04Å; F98-I136 HydrophobicContact CE1-CG2 4.44Å; F98-I136 HydrophobicContact CZ-CD1 4.31Å; F98-M367 HydrophobicContact CE1-SD 4.34Å; F98-M367 HydrophobicContact CZ-CE 3.97Å; F98-M367 HydrophobicContact CZ-SD 3.77Å; F98-F396 AromaticContact CD2-CE1 3.96Å; F98-F396 HydrophobicContact CD2-CE1 3.96Å; F98-F396 HydrophobicContact CD2-CE2 4.21Å; F98-F396 AromaticContact CD2-CZ 3.55Å; F98-F396 HydrophobicContact CD2-CZ 3.55Å; F98-F396 HydrophobicContact CE2-CD2 4.48Å; F98-F396 HydrophobicContact CE2-CE1 4.18Å; F98-F396 AromaticContact CE2-CE2 3.8Å; F98-F396 HydrophobicContact CE2-CE2 3.8Å; F98-F396 AromaticContact CE2-CZ 3.63Å; F98-F396 HydrophobicContact CE2-CZ 3.63Å; F98-F398 HydrophobicContact CE2-CE2 4.35Å; F98-F398 HydrophobicContact CE2-CZ 4.28Å; F98-P413 HydrophobicContact CD2-CB 4Å; F98-P413 HydrophobicContact CD2-CG 4.33Å; F98-P413 HydrophobicContact CE2-CG 4.39Å
99T90.9Very high89.7Confident13 Ų1345.2 Ų45.28%0.0822%0.218CC..Hα-helixtrans-66.8-34.4179.654.20000112.8F95 E96 D97 I102 N103 Y144F95-T99 HydrophobicContact CD1-CG2 3.72Å; F95-T99 HydrophobicContact CE1-CG2 3.46Å; F95-T99 VanDerWaalsContact CE1-CG2 3.46Å; F95-T99 HydrophobicContact CE2-CG2 4.48Å; F95-T99 HydrophobicContact CG-CG2 4.35Å; F95-T99 HydrophobicContact CZ-CG2 3.89Å; F95-T99 VanDerWaalsContact O-CG2 3.26Å; F95-T99 WeakPolarHBondContact O-CG2 3.39Å; F95-T99 PolarHBondContact O-N 3.36Å; F95-T99 PolarHBondContact O-OG1 2.77Å; F95-T99 VanDerWaalsContact O-OG1 3.12Å; E96-T99 PolarHBondContact O-N 3.05Å; E96-T99 PolarHBondContact O-OG1 2.97Å; D97-T99 PolarHBondContact O-N 3.08Å; T99-I102 PolarHBondContact O-N 2.78Å; T99-N103 PolarHBondContact O-N 3.22Å; T99-N103 PolarHBondContact O-ND2 3.36Å; T99-Y144 HydrophobicContact CG2-CD1 3.56Å; T99-Y144 HydrophobicContact CG2-CD2 3.51Å; T99-Y144 HydrophobicContact CG2-CE1 3.97Å; T99-Y144 HydrophobicContact CG2-CE2 3.96Å; T99-Y144 HydrophobicContact CG2-CG 3.31Å
100H91.6Very high90Very high112 Ų11245.1 Ų45.152%0.51921%0.214SC..Hα-helixtrans-62.1-42172.2-73.786.4000112.2E96 D97 F98 N103 R104E96-H100 PolarHBondContact O-N 3.46Å; E96-H100 PolarHBondContact O-ND1 3.26Å; D97-H100 PolarHBondContact O-N 3.48Å; F98-H100 VanDerWaalsContact C-N 3.35Å; F98-H100 PolarHBondContact O-N 3.3Å; H100-N103 PolarHBondContact O-N 3.46Å; H100-R104 WeakPolarHBondContact O-CG 3.42Å; H100-R104 PolarHBondContact O-N 2.91Å
101Q91.1Very high90.1Very high44 Ų4451.6 Ų51.621%0.20624%0.244CC..Hα-helixtrans-67-38.9176-60.9-53.2-26.900112.1D97 F98 N103 R104 M105 Y395 F396D97-Q101 PolarHBondContact O-N 3.34Å; D97-Q101 VanDerWaalsContact O-N 3.11Å; F98-Q101 PolarHBondContact O-N 3.45Å; Q101-N103 VanDerWaalsContact C-N 3.3Å; Q101-N103 PolarHBondContact O-N 3.29Å; Q101-R104 PolarHBondContact O-N 3.11Å; Q101-M105 WeakPolarHBondContact O-CG 3.47Å; Q101-M105 PolarHBondContact O-N 3.46Å; Q101-Y395 HydrophobicContact CB-CE1 4.32Å; Q101-Y395 HydrophobicContact CG-CE1 3.94Å; Q101-F396 HydrophobicContact CB-CZ 4.14Å
102I92.9Very high90.1Very high0 Ų053.1 Ų53.10%025%0.251CS..Hα-helixtrans-60.6-39.5174.8-66.5-64000111.4F98 T99 R104 M105 F106 I136 Y144 M369 F388 L392 F396F98-I102 HydrophobicContact CD1-CG1 4.27Å; F98-I102 HydrophobicContact CE1-CD1 4.33Å; F98-I102 HydrophobicContact CE1-CG1 3.85Å; F98-I102 HydrophobicContact CE2-CD1 4.16Å; F98-I102 HydrophobicContact CE2-CG1 4.22Å; F98-I102 HydrophobicContact CZ-CD1 3.81Å; F98-I102 HydrophobicContact CZ-CG1 3.81Å; F98-I102 WeakPolarHBondContact O-CG1 3.3Å; F98-I102 PolarHBondContact O-N 3.31Å; T99-I102 PolarHBondContact O-N 2.78Å; I102-R104 PolarHBondContact O-N 3.38Å; I102-M105 HydrophobicContact CD1-SD 4.34Å; I102-M105 PolarHBondContact O-N 3.1Å; I102-F106 WeakPolarHBondContact O-CB 3.08Å; I102-F106 PolarHBondContact O-N 2.77Å; I102-I136 HydrophobicContact CB-CD1 4.29Å; I102-I136 HydrophobicContact CD1-CD1 3.76Å; I102-I136 HydrophobicContact CG1-CD1 3.68Å; I102-I136 HydrophobicContact CG2-CD1 3.71Å; I102-Y144 HydrophobicContact CG2-CD1 4.34Å; I102-Y144 HydrophobicContact CG2-CE1 4.48Å; I102-M369 HydrophobicContact CD1-CE 4.5Å; I102-F388 HydrophobicContact CD1-CZ 4.16Å; I102-F388 HydrophobicContact CG2-CZ 4.38Å; I102-L392 HydrophobicContact CD1-CD1 3.73Å; I102-F396 HydrophobicContact CD1-CE2 4.36Å
103N93.8Very high89.8Confident38 Ų3859 Ų5920%0.20329%0.287CS..Hα-helixtrans-61.3-43.3175-72.2-27.8000112.3T99 H100 Q101 M105 F106 E107 Y144 V146T99-N103 PolarHBondContact O-N 3.22Å; T99-N103 PolarHBondContact O-ND2 3.36Å; H100-N103 PolarHBondContact O-N 3.46Å; Q101-N103 VanDerWaalsContact C-N 3.3Å; Q101-N103 PolarHBondContact O-N 3.29Å; N103-M105 VanDerWaalsContact C-N 3.34Å; N103-M105 PolarHBondContact O-N 3.34Å; N103-F106 WeakPolarHBondContact O-CB 3.25Å; N103-F106 PolarHBondContact O-N 2.83Å; N103-E107 WeakPolarHBondContact O-CG 3.45Å; N103-E107 PolarHBondContact O-N 3.33Å; N103-Y144 PolarHBondContact ND2-OH 2.72Å; N103-Y144 WeakPolarHBondContact OD1-CE1 3.49Å; N103-Y144 PolarHBondContact OD1-OH 2.82Å; N103-V146 WeakPolarHBondContact OD1-CG2 3.46Å
104R93.4Very high89.6Confident150 Ų15060.1 Ų60.157%0.56630%0.3SS*.Hα-helixtrans-61.9-43177.5-66.2178.971.3-168.55.9111.7H100 Q101 I102 F106 E107 N108H100-R104 WeakPolarHBondContact O-CG 3.42Å; H100-R104 PolarHBondContact O-N 2.91Å; Q101-R104 PolarHBondContact O-N 3.11Å; I102-R104 PolarHBondContact O-N 3.38Å; R104-F106 VanDerWaalsContact C-N 3.33Å; R104-E107 PolarHBondContact O-N 2.92Å; R104-N108 WeakPolarHBondContact O-CB 3.45Å; R104-N108 VanDerWaalsContact O-CG 3.22Å; R104-N108 PolarHBondContact O-N 3.31Å; R104-N108 PolarHBondContact O-ND2 2.97Å
105M93.1Very high89.6Confident4 Ų461 Ų612%0.0232%0.315CS..Hα-helixtrans-65.2-37.6175.3-63.9173.5-17500111.9Q101 I102 N103 N108 A109 F388 E391 L392 Y395 F396Q101-M105 WeakPolarHBondContact O-CG 3.47Å; Q101-M105 PolarHBondContact O-N 3.46Å; I102-M105 HydrophobicContact CD1-SD 4.34Å; I102-M105 PolarHBondContact O-N 3.1Å; N103-M105 VanDerWaalsContact C-N 3.34Å; N103-M105 PolarHBondContact O-N 3.34Å; M105-N108 PolarHBondContact O-N 2.79Å; M105-A109 WeakPolarHBondContact O-CB 3.28Å; M105-A109 PolarHBondContact O-N 3.43Å; M105-F388 HydrophobicContact CB-CD2 3.95Å; M105-F388 HydrophobicContact CB-CE2 3.7Å; M105-E391 HydrophobicContact CG-CG 4.01Å; M105-L392 HydrophobicContact SD-CD1 3.99Å; M105-Y395 VanDerWaalsContact CE-CB 3.45Å; M105-Y395 HydrophobicContact CE-CD1 3.66Å; M105-Y395 HydrophobicContact CE-CG 3.63Å; M105-F396 HydrophobicContact CE-CD2 3.98Å; M105-F396 HydrophobicContact CE-CE2 3.57Å; M105-F396 HydrophobicContact CE-CZ 4.37Å; M105-F396 HydrophobicContact SD-CE2 4.19Å
106F93.6Very high89.6Confident16 Ų1668.2 Ų68.27%0.0735%0.349CS..Hα-helixtrans-62.4-46.9175.7176.2-85.2000111.5I102 N103 R104 A109 Q110 W132 V134 V146I102-F106 WeakPolarHBondContact O-CB 3.08Å; I102-F106 PolarHBondContact O-N 2.77Å; N103-F106 WeakPolarHBondContact O-CB 3.25Å; N103-F106 PolarHBondContact O-N 2.83Å; R104-F106 VanDerWaalsContact C-N 3.33Å; F106-A109 PolarHBondContact O-N 2.73Å; F106-Q110 WeakPolarHBondContact O-CB 3.37Å; F106-Q110 PolarHBondContact O-N 3.43Å; F106-W132 AromaticContact CD2-CD1 3.65Å; F106-W132 AromaticContact CD2-CE2 3.93Å; F106-W132 HydrophobicContact CD2-CG 4.48Å; F106-W132 AromaticContact CD2-NE1 3.24Å; F106-W132 AromaticContact CE1-CD1 3.76Å; F106-W132 HydrophobicContact CE2-CB 4.49Å; F106-W132 AromaticContact CE2-CD1 3.11Å; F106-W132 HydrophobicContact CE2-CD2 4.18Å; F106-W132 AromaticContact CE2-CE2 3.9Å; F106-W132 AromaticContact CE2-CG 3.71Å; F106-W132 HydrophobicContact CE2-CG 3.71Å; F106-W132 AromaticContact CE2-NE1 3.22Å; F106-W132 AromaticContact CG-NE1 3.76Å; F106-W132 HydrophobicContact CZ-CB 4.34Å; F106-W132 AromaticContact CZ-CD1 3.16Å; F106-W132 AromaticContact CZ-CG 3.89Å; F106-W132 HydrophobicContact CZ-CG 3.89Å; F106-W132 AromaticContact CZ-NE1 3.72Å; F106-W132 PolarHBondContact O-NE1 3.19Å; F106-V134 HydrophobicContact CD2-CB 4.11Å; F106-V134 HydrophobicContact CD2-CG2 3.77Å; F106-V134 HydrophobicContact CE2-CG2 4.22Å; F106-V146 HydrophobicContact CB-CG1 4.3Å; F106-V146 HydrophobicContact CD1-CG1 3.65Å; F106-V146 HydrophobicContact CD2-CB 4.04Å; F106-V146 HydrophobicContact CD2-CG1 3.89Å; F106-V146 HydrophobicContact CE1-CG1 3.88Å; F106-V146 HydrophobicContact CE2-CB 4.27Å; F106-V146 HydrophobicContact CE2-CG1 4.08Å; F106-V146 WeakPolarHBondContact CE2-O 3.36Å; F106-V146 HydrophobicContact CG-CB 4.24Å; F106-V146 HydrophobicContact CG-CG1 3.67Å; F106-V146 HydrophobicContact CZ-CG1 4.09Å
107E93.2Very high89.5Confident114 Ų11466 Ų6653%0.53334%0.341SS..Hα-helixtrans-63-42177.6-72170.3-176.600111.8N103 R104 Q110 Q111N103-E107 WeakPolarHBondContact O-CG 3.45Å; N103-E107 PolarHBondContact O-N 3.33Å; R104-E107 PolarHBondContact O-N 2.92Å; E107-Q110 WeakPolarHBondContact O-CB 3.49Å; E107-Q110 PolarHBondContact O-N 3.38Å; E107-Q111 PolarHBondContact O-N 2.89Å
108N92.8Very high89.2Confident65 Ų6561.7 Ų61.735%0.34832%0.32SS..Hα-helixtrans-62.9-44.8175.7-71.8-14.8000111.8R104 M105 Q110 Q111 E391R104-N108 WeakPolarHBondContact O-CB 3.45Å; R104-N108 VanDerWaalsContact O-CG 3.22Å; R104-N108 PolarHBondContact O-N 3.31Å; R104-N108 PolarHBondContact O-ND2 2.97Å; M105-N108 PolarHBondContact O-N 2.79Å; N108-Q110 VanDerWaalsContact C-N 3.29Å; N108-Q110 PolarHBondContact O-N 2.94Å; N108-Q111 PolarHBondContact O-N 3.11Å; N108-E391 WeakPolarHBondContact CB-OE2 3.32Å; N108-E391 PolarHBondContact ND2-OE1 3.15Å
109A90.5Very high88.5Confident0 Ų067.6 Ų67.60%035%0.351CS..Hα-helixtrans-66.9-3017700000112.6M105 F106 Q111 Q112 W132 F388M105-A109 WeakPolarHBondContact O-CB 3.28Å; M105-A109 PolarHBondContact O-N 3.43Å; F106-A109 PolarHBondContact O-N 2.73Å; A109-Q111 VanDerWaalsContact C-N 3.25Å; A109-Q111 PolarHBondContact O-N 2.64Å; A109-Q112 WeakPolarHBondContact O-CB 3.49Å; A109-Q112 PolarHBondContact O-N 3.37Å; A109-W132 HydrophobicContact CB-CZ2 3.96Å; A109-F388 HydrophobicContact CB-CB 4.09Å
110Q89.9Confident87.6Confident99 Ų9972.3 Ų72.346%0.46337%0.368SS..Hα-helixtrans-64.6-28.4178.2-170.6177-3.300112.7F106 E107 N108 Q112F106-Q110 WeakPolarHBondContact O-CB 3.37Å; F106-Q110 PolarHBondContact O-N 3.43Å; E107-Q110 WeakPolarHBondContact O-CB 3.49Å; E107-Q110 PolarHBondContact O-N 3.38Å; N108-Q110 VanDerWaalsContact C-N 3.29Å; N108-Q110 PolarHBondContact O-N 2.94Å; Q110-Q112 PolarHBondContact O-N 2.69Å
111Q89.4Confident86.6Confident146 Ų14667.2 Ų67.268%0.68235%0.345SS*.THydrogen-bonded Turntrans-66.9-14.5177.7-63.2179.64.900113.4E107 N108 A109 V113E107-Q111 PolarHBondContact O-N 2.89Å; N108-Q111 PolarHBondContact O-N 3.11Å; A109-Q111 VanDerWaalsContact C-N 3.25Å; A109-Q111 PolarHBondContact O-N 2.64Å; Q111-V113 PolarHBondContact O-N 2.91Å
112Q87.1Confident85.8Confident77 Ų7768.3 Ų68.336%0.3636%0.356SS..  trans-77.9109.9177.1-57.1-60.7-33.500110.1A109 Q110 R384A109-Q112 WeakPolarHBondContact O-CB 3.49Å; A109-Q112 PolarHBondContact O-N 3.37Å; Q110-Q112 PolarHBondContact O-N 2.69Å; Q112-R384 HydrophobicContact CB-CG 4.33Å; Q112-R384 PolarHBondContact O-NE 2.84Å; Q112-R384 PolarHBondContact O-NH2 2.85Å
113V80.7Confident85Confident125 Ų12569.2 Ų69.276%0.75836%0.36SS*.  trans-100.411.2178.3-1580000111.9Q111Q111-V113 PolarHBondContact O-N 2.91Å
114G81.1Confident84.2Confident38 Ų3867.5 Ų67.539%0.39235%0.351SS..  trans-78.7157178.700000113.5
115G85.9Confident83.6Confident44 Ų4462.9 Ų62.945%0.45435%0.345SS..  trans113.6172.7173.200000113.9L376G115-L376 CarbonylContact C-O 3.44Å; G115-L376 WeakPolarHBondContact CA-O 3.1Å
116Q87.4Confident83.1Confident161 Ų16170.5 Ų70.575%0.75238%0.378SS*.EExtended strand (participates in β ladder)trans-131.3136.9175-70.9-178.7-11.900109.6L376Q116-L376 PolarHBondContact N-O 2.78Å; Q116-L376 PolarHBondContact O-N 2.89Å
117V85.3Confident82.6Confident35 Ų3572 Ų7221%0.21238%0.384CS..EExtended strand (participates in β ladder)trans-69.3142.6174.5-179.20000108.7D119 L124 P129 P374 P375V117-D119 PolarHBondContact O-N 3.26Å; V117-L124 WeakPolarHBondContact CG1-O 3.31Å; V117-P129 HydrophobicContact CG2-CB 4.06Å; V117-P374 HydrophobicContact CG1-CB 4.35Å; V117-P374 HydrophobicContact CG2-CB 4.24Å; V117-P375 HydrophobicContact CG2-CG 4.42Å
118A79.3Confident82.3Confident8 Ų869 Ų697%0.06638%0.376CS..  trans-61.9108.4174.400000110.7Y120 L124 A125 L376A118-Y120 HydrophobicContact CB-CD1 4.21Å; A118-Y120 HydrophobicContact CB-CE1 3.71Å; A118-L124 HydrophobicContact CB-CB 4.28Å; A118-L124 HydrophobicContact CB-CD1 4.09Å; A118-L124 WeakPolarHBondContact O-CB 3.29Å; A118-A125 PolarHBondContact O-N 3.25Å; A118-L376 HydrophobicContact CB-CD1 4.12Å
119D76.6Confident82Confident130 Ų13068.8 Ų68.870%0.69538%0.378SS*.  trans-97.9-18.1-173.562.4-13.8000113.9V117 I121V117-D119 PolarHBondContact O-N 3.26Å; D119-I121 PolarHBondContact O-N 3.22Å
120Y71.3Confident81.9Confident112 Ų11274 Ų7444%0.43941%0.406SS..SBendtrans-65.2-18.1178.867.3-85.5000114.2A118 I355A118-Y120 HydrophobicContact CB-CD1 4.21Å; A118-Y120 HydrophobicContact CB-CE1 3.71Å; Y120-I355 HydrophobicContact CE2-CD1 4.45Å; Y120-I355 WeakPolarHBondContact OH-CB 3.49Å; Y120-I355 WeakPolarHBondContact OH-CD1 3.45Å; Y120-I355 WeakPolarHBondContact OH-CG2 3.22Å
121I71.1Confident82Confident6 Ų670.9 Ų70.93%0.03139%0.392CS..SBendtrans-114.5114.1169.2-64.6162.6000108.2D119 Q123 L124 A125 I355D119-I121 PolarHBondContact O-N 3.22Å; I121-Q123 HydrophobicContact CG2-CB 4.26Å; I121-Q123 PolarHBondContact O-N 2.95Å; I121-Q123 VanDerWaalsContact O-N 3.11Å; I121-L124 HydrophobicContact CB-CB 4.32Å; I121-L124 HydrophobicContact CB-CD1 4.08Å; I121-L124 HydrophobicContact CB-CG 4.03Å; I121-L124 HydrophobicContact CD1-CD1 3.84Å; I121-L124 HydrophobicContact CG2-CG 4.1Å; I121-L124 PolarHBondContact O-N 2.94Å; I121-A125 PolarHBondContact O-N 3.34Å; I121-A125 VanDerWaalsContact O-N 3.15Å; I121-I355 HydrophobicContact CD1-CD1 4.27Å
122P74.4Confident82.2Confident66 Ų6664 Ų6443%0.42936%0.36SS..Hα-helixtrans-55.3-30.9-177.7-27.733.7000115A125 K126P122-A125 PolarHBondContact O-N 3.17Å; P122-K126 WeakPolarHBondContact O-CG 3.21Å; P122-K126 PolarHBondContact O-N 3.42Å
123Q75.3Confident82.6Confident20 Ų2060.4 Ų60.49%0.09334%0.343CS..Hα-helixtrans-67.3-37.1174.4-69.476.48.300112.4I121 A125 K126 A246I121-Q123 HydrophobicContact CG2-CB 4.26Å; I121-Q123 PolarHBondContact O-N 2.95Å; I121-Q123 VanDerWaalsContact O-N 3.11Å; Q123-A125 VanDerWaalsContact C-N 3.33Å; Q123-K126 WeakPolarHBondContact O-CB 3.44Å; Q123-K126 PolarHBondContact O-N 3.14Å; Q123-A246 HydrophobicContact CG-CB 4.26Å; Q123-A246 PolarHBondContact NE2-O 3.36Å; Q123-A246 VanDerWaalsContact NE2-O 3.08Å
124L77.5Confident83.3Confident2 Ų254.5 Ų54.51%0.0131%0.308CS..Hα-helixtrans-72.5-33.2178.5-62.3-177.2000110.7V117 A118 I121 K126 F127 I355V117-L124 WeakPolarHBondContact CG1-O 3.31Å; A118-L124 HydrophobicContact CB-CB 4.28Å; A118-L124 HydrophobicContact CB-CD1 4.09Å; A118-L124 WeakPolarHBondContact O-CB 3.29Å; I121-L124 HydrophobicContact CB-CB 4.32Å; I121-L124 HydrophobicContact CB-CD1 4.08Å; I121-L124 HydrophobicContact CB-CG 4.03Å; I121-L124 HydrophobicContact CD1-CD1 3.84Å; I121-L124 HydrophobicContact CG2-CG 4.1Å; I121-L124 PolarHBondContact O-N 2.94Å; L124-K126 PolarHBondContact O-N 3.47Å; L124-F127 HydrophobicContact CD2-CD2 4.47Å; L124-F127 HydrophobicContact CD2-CE2 4.18Å; L124-F127 WeakPolarHBondContact O-CD2 3.27Å; L124-F127 PolarHBondContact O-N 3.49Å; L124-I355 HydrophobicContact CD1-CD1 4.14Å; L124-I355 HydrophobicContact CD1-CG1 4.48Å
125A79.5Confident84Confident52 Ų5252.7 Ų52.743%0.4329%0.289SS..Hα-helixtrans-65.2-18.2174.300000114.2A118 I121 P122 Q123 F127A118-A125 PolarHBondContact O-N 3.25Å; I121-A125 PolarHBondContact O-N 3.34Å; I121-A125 VanDerWaalsContact O-N 3.15Å; P122-A125 PolarHBondContact O-N 3.17Å; Q123-A125 VanDerWaalsContact C-N 3.33Å; A125-F127 VanDerWaalsContact C-N 3.29Å
126K82.9Confident84.5Confident164 Ų16450.7 Ų50.771%0.71327%0.268SS*.THydrogen-bonded Turntrans-74.2-19.8177.2-70.1172.5-171.31800113.2P122 Q123 L124P122-K126 WeakPolarHBondContact O-CG 3.21Å; P122-K126 PolarHBondContact O-N 3.42Å; Q123-K126 WeakPolarHBondContact O-CB 3.44Å; Q123-K126 PolarHBondContact O-N 3.14Å; L124-K126 PolarHBondContact O-N 3.47Å
127F84.4Confident84.9Confident47 Ų4743 Ų4321%0.20623%0.232CC..SBendtrans-73.3133.4-179.8-68.6-68.7000110.5L124 A125 L131 V151 F153 W372 P374L124-F127 HydrophobicContact CD2-CD2 4.47Å; L124-F127 HydrophobicContact CD2-CE2 4.18Å; L124-F127 WeakPolarHBondContact O-CD2 3.27Å; L124-F127 PolarHBondContact O-N 3.49Å; A125-F127 VanDerWaalsContact C-N 3.29Å; F127-L131 HydrophobicContact CB-CD1 4.29Å; F127-L131 HydrophobicContact CD1-CD1 4.13Å; F127-V151 HydrophobicContact CE1-CG1 4.49Å; F127-F153 HydrophobicContact CZ-CB 4.25Å; F127-W372 HydrophobicContact CD1-CH2 4.07Å; F127-W372 AromaticContact CD1-CZ2 3.92Å; F127-W372 HydrophobicContact CD1-CZ2 3.92Å; F127-W372 HydrophobicContact CE1-CH2 4.31Å; F127-W372 HydrophobicContact CE1-CZ2 4.14Å; F127-W372 HydrophobicContact CG-CZ2 4.3Å; F127-P374 HydrophobicContact CB-CB 4.14Å; F127-P374 HydrophobicContact CB-CG 3.85Å
128S86.6Confident85.3Confident51 Ų5141.3 Ų41.336%0.35722%0.222SC..  trans-65.7137.6175.11740000110.1D130 L131S128-D130 PolarHBondContact O-N 2.82Å; S128-D130 PolarHBondContact OG-N 2.71Å; S128-L131 WeakPolarHBondContact O-CG 2.81Å; S128-L131 PolarHBondContact O-N 3.02Å
129P86.9Confident86Confident62 Ų6242.3 Ų42.340%0.40323%0.225SC..THydrogen-bonded Turntrans-64-18.1175.827.6-35.7000113V117 L131 P375V117-P129 HydrophobicContact CG2-CB 4.06Å; P129-L131 VanDerWaalsContact C-N 3.3Å; P129-L131 PolarHBondContact O-N 3.29Å; P129-P375 HydrophobicContact CB-CG 3.93Å; P129-P375 VanDerWaalsContact O-CG 3.31Å; P129-P375 WeakPolarHBondContact O-CG 3.36Å
130D88.5Confident86.6Confident108 Ų10837.5 Ų37.558%0.57820%0.2SC*.THydrogen-bonded Turntrans-79-14.7-177.7-63.3-35.6000113.3S128 W132 R384S128-D130 PolarHBondContact O-N 2.82Å; S128-D130 PolarHBondContact OG-N 2.71Å; D130-W132 PolarHBondContact O-N 2.74Å; D130-R384 PolarHBondContact O-NH1 3.08Å; D130-R384 VanDerWaalsContact O-NH1 3.1Å
131L91.3Very high87.5Confident34 Ų3432.2 Ų32.218%0.17818%0.179CC..  trans-63.2128-177-63.3171.1000111.3F127 S128 P129 D148 W372 S373 P374F127-L131 HydrophobicContact CB-CD1 4.29Å; F127-L131 HydrophobicContact CD1-CD1 4.13Å; S128-L131 WeakPolarHBondContact O-CG 2.81Å; S128-L131 PolarHBondContact O-N 3.02Å; P129-L131 VanDerWaalsContact C-N 3.3Å; P129-L131 PolarHBondContact O-N 3.29Å; L131-D148 WeakPolarHBondContact CA-OD2 3.19Å; L131-D148 HydrophobicContact CD2-CB 4.22Å; L131-D148 WeakPolarHBondContact CD2-OD2 3.21Å; L131-W372 HydrophobicContact CB-CH2 4.13Å; L131-W372 HydrophobicContact CB-CZ3 4.02Å; L131-W372 HydrophobicContact CD1-CH2 3.69Å; L131-W372 HydrophobicContact CD1-CZ2 4.47Å; L131-W372 HydrophobicContact CD1-CZ3 4.27Å; L131-W372 HydrophobicContact CG-CH2 4.46Å; L131-S373 PolarHBondContact O-OG 3.01Å; L131-S373 VanDerWaalsContact O-OG 3.12Å; L131-P374 HydrophobicContact CB-CG 4.23Å; L131-P374 WeakPolarHBondContact O-CD 3.3Å
132W93.9Very high88.5Confident3 Ų332 Ų321%0.01118%0.178CC..  trans-147.2119.9179.7-177.8-137.2000110.9F106 A109 D130 V134 G147 D148 C371 W372 S373 R384 F388F106-W132 AromaticContact CD2-CD1 3.65Å; F106-W132 AromaticContact CD2-CE2 3.93Å; F106-W132 HydrophobicContact CD2-CG 4.48Å; F106-W132 AromaticContact CD2-NE1 3.24Å; F106-W132 AromaticContact CE1-CD1 3.76Å; F106-W132 HydrophobicContact CE2-CB 4.49Å; F106-W132 AromaticContact CE2-CD1 3.11Å; F106-W132 HydrophobicContact CE2-CD2 4.18Å; F106-W132 AromaticContact CE2-CE2 3.9Å; F106-W132 AromaticContact CE2-CG 3.71Å; F106-W132 HydrophobicContact CE2-CG 3.71Å; F106-W132 AromaticContact CE2-NE1 3.22Å; F106-W132 AromaticContact CG-NE1 3.76Å; F106-W132 HydrophobicContact CZ-CB 4.34Å; F106-W132 AromaticContact CZ-CD1 3.16Å; F106-W132 AromaticContact CZ-CG 3.89Å; F106-W132 HydrophobicContact CZ-CG 3.89Å; F106-W132 AromaticContact CZ-NE1 3.72Å; F106-W132 PolarHBondContact O-NE1 3.19Å; A109-W132 HydrophobicContact CB-CZ2 3.96Å; D130-W132 PolarHBondContact O-N 2.74Å; W132-V134 HydrophobicContact CH2-CG2 3.76Å; W132-V134 HydrophobicContact CZ2-CG2 3.48Å; W132-V134 VanDerWaalsContact CZ2-CG2 3.48Å; W132-V134 HydrophobicContact CZ3-CG2 4.42Å; W132-G147 CarbonylContact O-C 3.55Å; W132-G147 WeakPolarHBondContact O-CA 3.37Å; W132-D148 PolarHBondContact N-OD2 3.39Å; W132-D148 PolarHBondContact O-N 3.31Å; W132-C371 HydrophobicContact CH2-CB 3.91Å; W132-C371 HydrophobicContact CZ3-CB 4.1Å; W132-W372 WeakPolarHBondContact CA-O 2.96Å; W132-S373 VanDerWaalsContact CE3-CB 3.45Å; W132-R384 HydrophobicContact CD2-CB 4.07Å; W132-R384 HydrophobicContact CE3-CB 3.82Å; W132-R384 HydrophobicContact CH2-CB 3.82Å; W132-R384 HydrophobicContact CZ2-CB 4.05Å; W132-R384 HydrophobicContact CZ3-CB 3.69Å; W132-F388 HydrophobicContact CH2-CB 4.23Å; W132-F388 HydrophobicContact CZ2-CB 4.08Å; W132-F388 HydrophobicContact CZ2-CD2 4.45Å; W132-F388 HydrophobicContact CZ2-CG 4.36Å
133G94.8Very high89.4Confident0 Ų029.5 Ų29.50%016%0.16CC..EExtended strand (participates in β ladder)trans-135.7138.1178.900000111.9C371 W372G133-C371 CarbonylContact O-C 3.53Å; G133-C371 WeakPolarHBondContact O-CA 3.44Å; G133-W372 PolarHBondContact N-O 3.07Å; G133-W372 PolarHBondContact O-N 3.18Å
134V96.1Very high90.3Very high2 Ų231.5 Ų31.51%0.01217%0.167CC..EExtended strand (participates in β ladder)trans-130.9128.1171.3178.90000109F106 W132 I136 S145 V146 T149 M369 C371 F388F106-V134 HydrophobicContact CD2-CB 4.11Å; F106-V134 HydrophobicContact CD2-CG2 3.77Å; F106-V134 HydrophobicContact CE2-CG2 4.22Å; W132-V134 HydrophobicContact CH2-CG2 3.76Å; W132-V134 HydrophobicContact CZ2-CG2 3.48Å; W132-V134 VanDerWaalsContact CZ2-CG2 3.48Å; W132-V134 HydrophobicContact CZ3-CG2 4.42Å; V134-I136 HydrophobicContact CG1-CG1 4.48Å; V134-S145 WeakPolarHBondContact O-CA 3.21Å; V134-V146 PolarHBondContact N-O 3.4Å; V134-V146 PolarHBondContact O-N 3.21Å; V134-T149 WeakPolarHBondContact O-CG2 3.41Å; V134-M369 HydrophobicContact CG1-CE 4.36Å; V134-C371 HydrophobicContact CG2-CB 4.36Å; V134-F388 HydrophobicContact CG1-CE1 4.09Å; V134-F388 HydrophobicContact CG1-CE2 4.38Å; V134-F388 HydrophobicContact CG1-CZ 3.86Å; V134-F388 HydrophobicContact CG2-CE2 4.48Å
135S96.3Very high91.1Very high0 Ų033 Ų330%018%0.178CC..EExtended strand (participates in β ladder)trans-127.7141.8174.5-71.60000111.1Y144 S145 T149 C295 E296 S299 M369 L370S135-Y144 CarbonylContact C-O 3.55Å; S135-Y144 WeakPolarHBondContact CA-O 3.44Å; S135-S145 PolarHBondContact OG-OG 2.98Å; S135-T149 VanDerWaalsContact OG-CG2 3.31Å; S135-T149 WeakPolarHBondContact OG-CG2 3.05Å; S135-C295 VanDerWaalsContact CB-C 3.41Å; S135-C295 VanDerWaalsContact CB-O 3.22Å; S135-C295 WeakPolarHBondContact CB-O 3.43Å; S135-C295 WeakPolarHBondContact OG-CB 3.38Å; S135-E296 PolarHBondContact OG-N 2.93Å; S135-S299 VanDerWaalsContact O-CB 3.31Å; S135-S299 WeakPolarHBondContact O-CB 3.37Å; S135-M369 CarbonylContact O-C 3.46Å; S135-M369 VanDerWaalsContact O-CA 3.28Å; S135-M369 WeakPolarHBondContact O-CA 3.44Å; S135-L370 PolarHBondContact N-O 2.99Å; S135-L370 PolarHBondContact O-N 3.41Å
136I95.2Very high91.8Very high1 Ų131.6 Ų31.61%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-126.6137.8-175.9-50.4-173.2000108.8F98 I102 V134 R143 Y144 M367 M369F98-I136 HydrophobicContact CE1-CD1 4.04Å; F98-I136 HydrophobicContact CE1-CG2 4.44Å; F98-I136 HydrophobicContact CZ-CD1 4.31Å; I102-I136 HydrophobicContact CB-CD1 4.29Å; I102-I136 HydrophobicContact CD1-CD1 3.76Å; I102-I136 HydrophobicContact CG1-CD1 3.68Å; I102-I136 HydrophobicContact CG2-CD1 3.71Å; V134-I136 HydrophobicContact CG1-CG1 4.48Å; I136-R143 VanDerWaalsContact O-CA 3.3Å; I136-R143 WeakPolarHBondContact O-CA 3.07Å; I136-Y144 PolarHBondContact N-O 2.67Å; I136-Y144 PolarHBondContact O-N 2.8Å; I136-M367 HydrophobicContact CG2-CB 4.4Å; I136-M367 HydrophobicContact CG2-SD 3.73Å; I136-M369 HydrophobicContact CB-CG 4.36Å; I136-M369 HydrophobicContact CD1-CE 3.61Å; I136-M369 HydrophobicContact CD1-SD 4.48Å; I136-M369 HydrophobicContact CG1-CE 3.76Å; I136-M369 HydrophobicContact CG1-CG 4.06Å; I136-M369 HydrophobicContact CG1-SD 4.5Å; I136-M369 HydrophobicContact CG2-CG 4.05Å
137C95.1Very high92.2Very high0 Ų025.8 Ų25.80%015%0.151CC..EExtended strand (participates in β ladder)trans-136.4122.3169.2-176.30000109.7Q142 R143 V300 A303 M367 G368C137-Q142 CarbonylContact C-O 3.45Å; C137-Q142 WeakPolarHBondContact CA-O 3.39Å; C137-R143 HydrophobicContact CB-CG 4.07Å; C137-V300 HydrophobicContact CB-CG2 4.22Å; C137-A303 HydrophobicContact CB-CB 3.77Å; C137-A303 VanDerWaalsContact O-CB 3.27Å; C137-A303 WeakPolarHBondContact O-CB 3.1Å; C137-M367 CarbonylContact O-C 3.58Å; C137-M367 VanDerWaalsContact O-CA 3.3Å; C137-M367 WeakPolarHBondContact O-CA 3.36Å; C137-M367 WeakPolarHBondContact O-CB 3.23Å; C137-G368 PolarHBondContact N-O 3.22Å; C137-G368 PolarHBondContact O-N 3.05Å
138T95Very high92.6Very high0 Ų026.7 Ų26.70%016%0.158CC..EExtended strand (participates in β ladder)trans-81.2162174.672.10000111.1I91 I92 F95 D140 G141 Q142 P312 V366 M367I91-T138 HydrophobicContact CG2-CG2 4.43Å; I92-T138 HydrophobicContact CD1-CG2 3.89Å; I92-T138 HydrophobicContact CG1-CG2 4.49Å; F95-T138 HydrophobicContact CE2-CG2 4.19Å; T138-D140 PolarHBondContact O-N 3.09Å; T138-G141 PolarHBondContact O-N 3.29Å; T138-Q142 HydrophobicContact CG2-CB 3.92Å; T138-Q142 PolarHBondContact N-O 3.42Å; T138-Q142 WeakPolarHBondContact OG1-CB 3.34Å; T138-Q142 WeakPolarHBondContact OG1-CG 3.34Å; T138-Q142 PolarHBondContact OG1-N 3.35Å; T138-Q142 PolarHBondContact OG1-OE1 3.23Å; T138-P312 WeakPolarHBondContact O-CB 3.37Å; T138-V366 WeakPolarHBondContact CA-O 3.22Å; T138-M367 HydrophobicContact CG2-CB 4.22Å
139I92.8Very high92.9Very high28 Ų2824.8 Ų24.814%0.14414%0.144CC..THydrogen-bonded Turntrans-61.5-22.3177.160163000113.5I91 G141 A306 N307 P312 N365 V366I91-I139 HydrophobicContact CB-CG1 4.32Å; I91-I139 HydrophobicContact CG2-CG1 4.03Å; I139-G141 VanDerWaalsContact C-N 3.34Å; I139-A306 HydrophobicContact CG2-CB 3.86Å; I139-N307 HydrophobicContact CB-CB 4.04Å; I139-N307 HydrophobicContact CG2-CB 3.76Å; I139-P312 VanDerWaalsContact O-CB 3.28Å; I139-P312 WeakPolarHBondContact O-CB 3.35Å; I139-N365 VanDerWaalsContact CD1-O 3.29Å; I139-N365 WeakPolarHBondContact CD1-O 3.47Å; I139-V366 PolarHBondContact N-O 3.36Å
140D89.9Confident93.1Very high30 Ų3029.3 Ų29.316%0.1616%0.157CC..THydrogen-bonded Turntrans-84.9-10.1175.6-70.2-52.4000112.9R45 F90 I91 T138R45-D140 PolarHBondContact NH1-O 3.01Å; R45-D140 VanDerWaalsContact NH1-O 3.1Å; R45-D140 PolarHBondContact NH2-O 3.47Å; F90-D140 VanDerWaalsContact CA-OD2 3.28Å; F90-D140 WeakPolarHBondContact CA-OD2 3.37Å; F90-D140 HydrophobicContact CB-CB 4.3Å; F90-D140 HydrophobicContact CD1-CB 3.58Å; F90-D140 HydrophobicContact CE1-CB 3.96Å; F90-D140 HydrophobicContact CG-CB 3.95Å; I91-D140 PolarHBondContact N-OD2 3.27Å; T138-D140 PolarHBondContact O-N 3.09Å
141G89.3Confident93.3Very high0 Ų026.3 Ų26.30%014%0.143CC..  trans94.813.8-179.600000114.7T138 I139T138-G141 PolarHBondContact O-N 3.29Å; I139-G141 VanDerWaalsContact C-N 3.34Å
142Q92.6Very high93.3Very high2 Ų227.1 Ų27.11%0.00915%0.15CC..  trans-69.1133.3170-51.8167.3-77.200108.6T37 G38 F90 I92 F95 C137 T138T37-Q142 WeakPolarHBondContact O-CG 3.28Å; T37-Q142 PolarHBondContact O-NE2 2.87Å; G38-Q142 CarbonylContact O-C 3.51Å; G38-Q142 WeakPolarHBondContact O-CA 3.2Å; F90-Q142 HydrophobicContact CD2-CG 3.66Å; F90-Q142 HydrophobicContact CE2-CG 4.09Å; F90-Q142 HydrophobicContact CG-CG 4.35Å; I92-Q142 PolarHBondContact O-NE2 3.07Å; F95-Q142 HydrophobicContact CD2-CB 3.99Å; F95-Q142 HydrophobicContact CE1-CB 4.5Å; F95-Q142 HydrophobicContact CE2-CB 3.68Å; F95-Q142 HydrophobicContact CZ-CB 3.95Å; C137-Q142 CarbonylContact C-O 3.45Å; C137-Q142 WeakPolarHBondContact CA-O 3.39Å; T138-Q142 HydrophobicContact CG2-CB 3.92Å; T138-Q142 PolarHBondContact N-O 3.42Å; T138-Q142 WeakPolarHBondContact OG1-CB 3.34Å; T138-Q142 WeakPolarHBondContact OG1-CG 3.34Å; T138-Q142 PolarHBondContact OG1-N 3.35Å; T138-Q142 PolarHBondContact OG1-OE1 3.23Å
143R93.3Very high93.2Very high13 Ų1327 Ų275%0.04915%0.15CC..EExtended strand (participates in β ladder)trans-131.8139.2-172.9-71170.766.1-175.62.3111.2G38 L40 I136 C137 E239G38-R143 PolarHBondContact O-N 3Å; L40-R143 HydrophobicContact CD1-CB 3.76Å; L40-R143 HydrophobicContact CD1-CG 4.48Å; L40-R143 HydrophobicContact CG-CB 4.11Å; I136-R143 VanDerWaalsContact O-CA 3.3Å; I136-R143 WeakPolarHBondContact O-CA 3.07Å; C137-R143 HydrophobicContact CB-CG 4.07Å; R143-E239 IonicContact CZ-OE1 3.19Å; R143-E239 IonicContact NH1-OE1 2.75Å; R143-E239 PolarHBondContact NH1-OE1 3.33Å; R143-E239 IonicContact NH2-OE1 2.77Å; R143-E239 PolarHBondContact NH2-OE1 2.61Å
144Y94.3Very high92.9Very high62 Ų6227.2 Ų27.224%0.24315%0.151CC..EExtended strand (participates in β ladder)trans-145138.8174-168.3-116.8000110.6T99 I102 N103 S135 I136 V146T99-Y144 HydrophobicContact CG2-CD1 3.56Å; T99-Y144 HydrophobicContact CG2-CD2 3.51Å; T99-Y144 HydrophobicContact CG2-CE1 3.97Å; T99-Y144 HydrophobicContact CG2-CE2 3.96Å; T99-Y144 HydrophobicContact CG2-CG 3.31Å; I102-Y144 HydrophobicContact CG2-CD1 4.34Å; I102-Y144 HydrophobicContact CG2-CE1 4.48Å; N103-Y144 PolarHBondContact ND2-OH 2.72Å; N103-Y144 WeakPolarHBondContact OD1-CE1 3.49Å; N103-Y144 PolarHBondContact OD1-OH 2.82Å; S135-Y144 CarbonylContact C-O 3.55Å; S135-Y144 WeakPolarHBondContact CA-O 3.44Å; I136-Y144 PolarHBondContact N-O 2.67Å; I136-Y144 PolarHBondContact O-N 2.8Å; Y144-V146 HydrophobicContact CD1-CG2 3.74Å; Y144-V146 HydrophobicContact CE1-CG2 3.14Å
145S94.1Very high92.5Very high34 Ų3427.1 Ų27.124%0.23815%0.151CC..EExtended strand (participates in β ladder)trans-138.1134.3-174.3-69.20000109.1V134 S135 E296V134-S145 WeakPolarHBondContact O-CA 3.21Å; S135-S145 PolarHBondContact OG-OG 2.98Å; S145-E296 WeakPolarHBondContact CB-OE1 3.16Å; S145-E296 PolarHBondContact OG-OE1 3.42Å
146V94Very high92.2Very high22 Ų2227.6 Ų27.613%0.13315%0.153CC..EExtended strand (participates in β ladder)trans-136135.3-179-1700000109.7N103 F106 V134 Y144 T149N103-V146 WeakPolarHBondContact OD1-CG2 3.46Å; F106-V146 HydrophobicContact CB-CG1 4.3Å; F106-V146 HydrophobicContact CD1-CG1 3.65Å; F106-V146 HydrophobicContact CD2-CB 4.04Å; F106-V146 HydrophobicContact CD2-CG1 3.89Å; F106-V146 HydrophobicContact CE1-CG1 3.88Å; F106-V146 HydrophobicContact CE2-CB 4.27Å; F106-V146 HydrophobicContact CE2-CG1 4.08Å; F106-V146 WeakPolarHBondContact CE2-O 3.36Å; F106-V146 HydrophobicContact CG-CB 4.24Å; F106-V146 HydrophobicContact CG-CG1 3.67Å; F106-V146 HydrophobicContact CZ-CG1 4.09Å; V134-V146 PolarHBondContact N-O 3.4Å; V134-V146 PolarHBondContact O-N 3.21Å; Y144-V146 HydrophobicContact CD1-CG2 3.74Å; Y144-V146 HydrophobicContact CE1-CG2 3.14Å; V146-T149 WeakPolarHBondContact O-CG2 3.12Å
147G92.4Very high91.9Very high43 Ų4328 Ų2844%0.44316%0.155SC..EExtended strand (participates in β ladder)trans81.6-150.3-17900000114.1W132 T149W132-G147 CarbonylContact O-C 3.55Å; W132-G147 WeakPolarHBondContact O-CA 3.37Å; G147-T149 PolarHBondContact O-N 2.88Å
148D92.6Very high91.7Very high65 Ų6528 Ų2835%0.34816%0.155SC..SBendtrans-78.554.6-172-60-52000113.1L131 W132 K150 V151 W372L131-D148 WeakPolarHBondContact CA-OD2 3.19Å; L131-D148 HydrophobicContact CD2-CB 4.22Å; L131-D148 WeakPolarHBondContact CD2-OD2 3.21Å; W132-D148 PolarHBondContact N-OD2 3.39Å; W132-D148 PolarHBondContact O-N 3.31Å; D148-K150 PolarHBondContact O-N 3.45Å; D148-V151 HydrophobicContact CB-CG2 4.14Å; D148-W372 HydrophobicContact CB-CZ3 4.44Å
149T92.6Very high91.6Very high11 Ų1128 Ų287%0.06716%0.156CC..THydrogen-bonded Turntrans-79.5-21-168.551.70000114.7V134 S135 V146 G147 T294 C295V134-T149 WeakPolarHBondContact O-CG2 3.41Å; S135-T149 VanDerWaalsContact OG-CG2 3.31Å; S135-T149 WeakPolarHBondContact OG-CG2 3.05Å; V146-T149 WeakPolarHBondContact O-CG2 3.12Å; G147-T149 PolarHBondContact O-N 2.88Å; T149-T294 WeakPolarHBondContact O-CB 3.28Å; T149-C295 HydrophobicContact CG2-CB 3.95Å; T149-C295 WeakPolarHBondContact O-CB 3.34Å; T149-C295 PolarHBondContact O-N 3.43Å
150K91.8Very high91.6Very high157 Ų15726.8 Ų26.868%0.68315%0.149SC*.THydrogen-bonded Turntrans-92.1-5.6-177.1-63.7-175.4-179.6-179.80113.9D148 P152D148-K150 PolarHBondContact O-N 3.45Å; K150-P152 WeakPolarHBondContact O-CD 3.48Å
151V92.3Very high91.9Very high45 Ų4525.3 Ų25.327%0.27314%0.142SC..  trans-72.2124.7178.2-1770000108.3F127 D148 W372F127-V151 HydrophobicContact CE1-CG1 4.49Å; D148-V151 HydrophobicContact CB-CG2 4.14Å; V151-W372 HydrophobicContact CB-CH2 3.96Å; V151-W372 HydrophobicContact CB-CZ3 3.71Å; V151-W372 HydrophobicContact CG1-CH2 3.64Å; V151-W372 HydrophobicContact CG1-CZ3 3.94Å; V151-W372 HydrophobicContact CG2-CZ3 4.34Å
152P92.2Very high92.1Very high52 Ų5225.4 Ų25.434%0.33814%0.142SC..  trans-75.1137.917530.8-33.4000110.2K150 Y240 V293K150-P152 WeakPolarHBondContact O-CD 3.48Å; P152-Y240 HydrophobicContact CB-CE1 3.68Å; P152-V293 WeakPolarHBondContact CA-O 3.45Å
153F90.3Very high92.1Very high1 Ų125.3 Ų25.30%0.00414%0.142CC..EExtended strand (participates in β ladder)trans-143.8158.9175.564-96.7000110.4F127 E292 V293 A358 L370 W372F127-F153 HydrophobicContact CZ-CB 4.25Å; F153-E292 CarbonylContact O-C 3.53Å; F153-E292 VanDerWaalsContact O-CA 3.3Å; F153-E292 WeakPolarHBondContact O-CA 3.37Å; F153-V293 HydrophobicContact CE2-CG2 3.99Å; F153-V293 HydrophobicContact CZ-CG2 4.07Å; F153-V293 PolarHBondContact N-O 2.6Å; F153-V293 PolarHBondContact O-N 3.35Å; F153-A358 HydrophobicContact CD2-CB 4.33Å; F153-A358 HydrophobicContact CE2-CB 3.48Å; F153-A358 VanDerWaalsContact CE2-CB 3.48Å; F153-A358 HydrophobicContact CZ-CB 4Å; F153-L370 HydrophobicContact CE1-CD2 4.35Å; F153-L370 HydrophobicContact CZ-CD2 3.63Å; F153-W372 HydrophobicContact CB-CZ2 3.74Å; F153-W372 HydrophobicContact CD1-CB 4.43Å; F153-W372 AromaticContact CD1-CD1 3.82Å; F153-W372 AromaticContact CD1-CD2 3.48Å; F153-W372 HydrophobicContact CD1-CD2 3.48Å; F153-W372 VanDerWaalsContact CD1-CD2 3.48Å; F153-W372 AromaticContact CD1-CE2 3.55Å; F153-W372 HydrophobicContact CD1-CE3 4.01Å; F153-W372 AromaticContact CD1-CG 3.67Å; F153-W372 HydrophobicContact CD1-CG 3.67Å; F153-W372 HydrophobicContact CD1-CH2 4.49Å; F153-W372 HydrophobicContact CD1-CZ2 4.08Å; F153-W372 HydrophobicContact CD1-CZ3 4.48Å; F153-W372 AromaticContact CD1-NE1 3.78Å; F153-W372 AromaticContact CD2-CD1 3.9Å; F153-W372 HydrophobicContact CD2-CG 4.49Å; F153-W372 AromaticContact CD2-NE1 3.88Å; F153-W372 HydrophobicContact CE1-CB 3.79Å; F153-W372 AromaticContact CE1-CD1 3.83Å; F153-W372 AromaticContact CE1-CD2 3.76Å; F153-W372 HydrophobicContact CE1-CD2 3.76Å; F153-W372 HydrophobicContact CE1-CE3 4.31Å; F153-W372 AromaticContact CE1-CG 3.5Å; F153-W372 HydrophobicContact CE1-CG 3.5Å; F153-W372 VanDerWaalsContact CE1-CG 3.5Å; F153-W372 AromaticContact CE2-CD1 3.96Å; F153-W372 HydrophobicContact CE2-CG 4.39Å; F153-W372 AromaticContact CG-CD1 3.84Å; F153-W372 HydrophobicContact CG-CD2 4.07Å; F153-W372 AromaticContact CG-CE2 3.65Å; F153-W372 HydrophobicContact CG-CG 4.17Å; F153-W372 HydrophobicContact CG-CZ2 4.11Å; F153-W372 AromaticContact CG-NE1 3.55Å; F153-W372 HydrophobicContact CZ-CB 4.01Å; F153-W372 AromaticContact CZ-CD1 3.89Å; F153-W372 AromaticContact CZ-CG 3.87Å; F153-W372 HydrophobicContact CZ-CG 3.87Å
154C89.2Confident92.1Very high3 Ų324.8 Ų24.82%0.0214%0.14CC..EExtended strand (participates in β ladder)trans-74132180-560000111.8Q156 T247 I291 S356C154-Q156 VanDerWaalsContact C-N 3.28Å; C154-Q156 HydrophobicContact CB-CG 3.98Å; C154-Q156 PolarHBondContact O-N 3.01Å; C154-T247 HydrophobicContact CB-CG2 4.5Å; C154-T247 PolarHBondContact SG-OG1 3.39Å; C154-I291 CarbonylContact C-O 3.59Å; C154-I291 WeakPolarHBondContact CA-O 3.2Å; C154-S356 WeakPolarHBondContact O-CB 3.34Å; C154-S356 PolarHBondContact O-OG 2.99Å
155L86.9Confident92.1Very high1 Ų121.8 Ų21.81%0.00513%0.128CC..  trans-60.7-36.6177.4-86.9175.7000112.8S157 C158 V159 L162 I291 V293L155-S157 PolarHBondContact O-N 3.18Å; L155-C158 HydrophobicContact CB-CB 4.43Å; L155-C158 HydrophobicContact CD2-CB 3.86Å; L155-C158 VanDerWaalsContact O-CB 3.27Å; L155-C158 WeakPolarHBondContact O-CB 3.36Å; L155-C158 PolarHBondContact O-N 3.31Å; L155-C158 VanDerWaalsContact O-N 3.1Å; L155-V159 HydrophobicContact CB-CB 4.49Å; L155-L162 HydrophobicContact CD1-CD1 4.44Å; L155-I291 HydrophobicContact CD1-CG2 4.26Å; L155-I291 PolarHBondContact N-O 3.23Å; L155-V293 HydrophobicContact CD1-CG1 3.65Å; L155-V293 HydrophobicContact CD1-CG2 4.4Å; L155-V293 HydrophobicContact CD2-CB 4.42Å; L155-V293 HydrophobicContact CD2-CG1 4.2Å; L155-V293 HydrophobicContact CD2-CG2 3.4Å; L155-V293 VanDerWaalsContact CD2-CG2 3.4Å; L155-V293 HydrophobicContact CG-CB 4.25Å; L155-V293 HydrophobicContact CG-CG1 3.71Å; L155-V293 HydrophobicContact CG-CG2 3.57Å
156Q89.5Confident92Very high9 Ų920.2 Ų20.24%0.04212%0.117CC..G310 helixtrans52.5-134.7-176.8-59.6-65.8-15.300110.5C154 C158 V159 C289 I355C154-Q156 VanDerWaalsContact C-N 3.28Å; C154-Q156 HydrophobicContact CB-CG 3.98Å; C154-Q156 PolarHBondContact O-N 3.01Å; Q156-C158 PolarHBondContact O-N 3.13Å; Q156-V159 VanDerWaalsContact O-CG1 3.27Å; Q156-V159 WeakPolarHBondContact O-CG1 3.33Å; Q156-V159 PolarHBondContact O-N 3.18Å; Q156-C289 VanDerWaalsContact CA-O 3.25Å; Q156-C289 WeakPolarHBondContact CA-O 3.39Å; Q156-C289 PolarHBondContact N-O 2.85Å; Q156-I355 HydrophobicContact CB-CD1 4.05Å; Q156-I355 HydrophobicContact CB-CG1 3.56Å; Q156-I355 HydrophobicContact CG-CD1 3.93Å; Q156-I355 HydrophobicContact CG-CG1 3.72Å
157S90Very high91.9Very high9 Ų919.1 Ų19.16%0.06311%0.11CC..G310 helixtrans-60.2-10.8-178.7-75.80000115.3L155 V159 K160 K352L155-S157 PolarHBondContact O-N 3.18Å; S157-V159 PolarHBondContact O-N 3.2Å; S157-K160 PolarHBondContact O-N 3.1Å; S157-K160 PolarHBondContact OG-NZ 2.92Å; S157-K352 WeakPolarHBondContact O-CE 3.5Å; S157-K352 WeakPolarHBondContact O-CG 3.43Å
158C91.6Very high92Very high0 Ų017.2 Ų17.20%09%0.09CC..G310 helixtrans-68-14.1171.3-65.60000113.4L155 Q156 P161 K352 G354L155-C158 HydrophobicContact CB-CB 4.43Å; L155-C158 HydrophobicContact CD2-CB 3.86Å; L155-C158 VanDerWaalsContact O-CB 3.27Å; L155-C158 WeakPolarHBondContact O-CB 3.36Å; L155-C158 PolarHBondContact O-N 3.31Å; L155-C158 VanDerWaalsContact O-N 3.1Å; Q156-C158 PolarHBondContact O-N 3.13Å; C158-P161 WeakPolarHBondContact O-CD 3.46Å; C158-K352 PolarHBondContact SG-O 2.93Å; C158-K352 VanDerWaalsContact SG-O 3.38Å; C158-G354 PolarHBondContact SG-N 2.94Å
159V92.1Very high91.9Very high2 Ų217.7 Ų17.71%0.0129%0.09CC..G310 helixtrans-76.5-26.8176.578.30000113L155 Q156 S157 L162 E163 L288L155-V159 HydrophobicContact CB-CB 4.49Å; Q156-V159 VanDerWaalsContact O-CG1 3.27Å; Q156-V159 WeakPolarHBondContact O-CG1 3.33Å; Q156-V159 PolarHBondContact O-N 3.18Å; S157-V159 PolarHBondContact O-N 3.2Å; V159-L162 WeakPolarHBondContact O-CA 3.39Å; V159-L162 WeakPolarHBondContact O-CB 3.36Å; V159-L162 PolarHBondContact O-N 3.2Å; V159-E163 PolarHBondContact O-N 3.41Å; V159-L288 HydrophobicContact CG1-CB 4.14Å; V159-L288 HydrophobicContact CG2-CB 4.21Å
160K93.3Very high91.8Very high1 Ų120 Ų200%0.00410%0.1CC..Hα-helixtrans-58-42.3-173.3-59.1173.4174.71590114.4S157 L162 E163 Y164 M204 N206 A209 Y285S157-K160 PolarHBondContact O-N 3.1Å; S157-K160 PolarHBondContact OG-NZ 2.92Å; K160-L162 VanDerWaalsContact C-N 3.3Å; K160-L162 PolarHBondContact O-N 3.15Å; K160-E163 PolarHBondContact O-N 3.45Å; K160-Y164 WeakPolarHBondContact O-CB 2.95Å; K160-Y164 PolarHBondContact O-N 2.81Å; K160-M204 VanDerWaalsContact CD-O 3.27Å; K160-M204 WeakPolarHBondContact CD-O 3.2Å; K160-M204 PolarHBondContact NZ-O 3.03Å; K160-N206 PolarHBondContact NZ-OD1 3.45Å; K160-A209 HydrophobicContact CB-CB 4.35Å; K160-A209 HydrophobicContact CD-CB 3.9Å; K160-A209 HydrophobicContact CG-CB 3.73Å; K160-Y285 WeakPolarHBondContact CE-OH 3.49Å
161P94.8Very high91.7Very high0 Ų014.6 Ų14.60%08%0.078CC..Hα-helixtrans-60.6-39.8172.5-17.928.1000112.8C158 A165 M204 T327 M331 K352C158-P161 WeakPolarHBondContact O-CD 3.46Å; P161-A165 WeakPolarHBondContact O-CB 2.73Å; P161-A165 PolarHBondContact O-N 2.82Å; P161-M204 HydrophobicContact CB-CE 3.87Å; P161-M204 HydrophobicContact CB-SD 4.19Å; P161-M204 HydrophobicContact CG-CE 4.04Å; P161-M204 HydrophobicContact CG-SD 3.69Å; P161-T327 HydrophobicContact CB-CG2 3.7Å; P161-T327 WeakPolarHBondContact O-CG2 3.46Å; P161-M331 HydrophobicContact CB-CG 3.9Å; P161-M331 HydrophobicContact CB-SD 3.72Å; P161-M331 HydrophobicContact CG-CG 3.99Å; P161-M331 HydrophobicContact CG-SD 4.12Å; P161-K352 HydrophobicContact CG-CB 3.72Å; P161-K352 HydrophobicContact CG-CD 3.89Å; P161-K352 HydrophobicContact CG-CG 3.63Å
162L93.5Very high91.7Very high1 Ų113.7 Ų13.71%0.0058%0.078CC..Hα-helixtrans-68.3-43-179.2-54.4178.6000110.5L155 V159 K160 A165 I166 L232 M235 M301 L305L155-L162 HydrophobicContact CD1-CD1 4.44Å; V159-L162 WeakPolarHBondContact O-CA 3.39Å; V159-L162 WeakPolarHBondContact O-CB 3.36Å; V159-L162 PolarHBondContact O-N 3.2Å; K160-L162 VanDerWaalsContact C-N 3.3Å; K160-L162 PolarHBondContact O-N 3.15Å; L162-A165 WeakPolarHBondContact O-CB 3.19Å; L162-A165 PolarHBondContact O-N 2.97Å; L162-I166 VanDerWaalsContact O-CG1 3.3Å; L162-I166 WeakPolarHBondContact O-CG1 3.36Å; L162-I166 PolarHBondContact O-N 3.33Å; L162-L232 HydrophobicContact CB-CD2 4.11Å; L162-L232 HydrophobicContact CD1-CD2 3.64Å; L162-L232 HydrophobicContact CG-CD2 4.47Å; L162-M235 HydrophobicContact CB-CE 4.2Å; L162-M235 HydrophobicContact CD2-CE 4.12Å; L162-M235 HydrophobicContact CD2-SD 4.32Å; L162-M301 HydrophobicContact CD1-SD 3.92Å; L162-L305 HydrophobicContact CD2-CD1 4.07Å
163E92.6Very high91.6Very high1 Ų111.8 Ų11.81%0.0057%0.066CC..Hα-helixtrans-60.2-47.8175.5-172.4-169.2-179.500111.6V159 K160 A165 I166 A167 I212 S213 I216 L288V159-E163 PolarHBondContact O-N 3.41Å; K160-E163 PolarHBondContact O-N 3.45Å; E163-A165 VanDerWaalsContact C-N 3.32Å; E163-A165 PolarHBondContact O-N 3.26Å; E163-I166 PolarHBondContact O-N 3.03Å; E163-A167 PolarHBondContact O-N 3.25Å; E163-I212 HydrophobicContact CG-CG2 3.83Å; E163-S213 WeakPolarHBondContact OE1-CA 3.3Å; E163-S213 VanDerWaalsContact OE1-CB 3.27Å; E163-S213 WeakPolarHBondContact OE1-CB 3.37Å; E163-S213 PolarHBondContact OE1-N 3.3Å; E163-S213 PolarHBondContact OE1-OG 3.41Å; E163-I216 HydrophobicContact CG-CD1 3.68Å; E163-L288 HydrophobicContact CB-CD1 4.45Å; E163-L288 HydrophobicContact CG-CD1 3.8Å
164Y94.4Very high91.6Very high1 Ų118.3 Ų18.30%0.00410%0.096CC..Hα-helixtrans-61.1-41.1175171-103.9000112.1K160 I166 A167 V168 V176 H177 P203 I212 N326 T327 L330K160-Y164 WeakPolarHBondContact O-CB 2.95Å; K160-Y164 PolarHBondContact O-N 2.81Å; Y164-I166 VanDerWaalsContact C-N 3.32Å; Y164-I166 PolarHBondContact O-N 3.02Å; Y164-A167 PolarHBondContact O-N 3.07Å; Y164-V168 HydrophobicContact CD1-CG2 4.46Å; Y164-V168 HydrophobicContact CD2-CG2 3.98Å; Y164-V168 HydrophobicContact CE1-CG2 3.99Å; Y164-V168 HydrophobicContact CE2-CG2 3.47Å; Y164-V168 VanDerWaalsContact CE2-CG2 3.47Å; Y164-V168 HydrophobicContact CG-CG2 4.46Å; Y164-V168 VanDerWaalsContact CZ-CG2 3.48Å; Y164-V168 WeakPolarHBondContact O-CG2 3.47Å; Y164-V168 PolarHBondContact O-N 2.93Å; Y164-V176 HydrophobicContact CD2-CG1 4.14Å; Y164-V176 HydrophobicContact CE2-CG1 3.83Å; Y164-H177 AromaticContact CE2-NE2 3.87Å; Y164-H177 AromaticContact CZ-NE2 3.7Å; Y164-H177 PolarHBondContact OH-CE1 3.31Å; Y164-H177 PolarHBondContact OH-NE2 3.49Å; Y164-P203 HydrophobicContact CD1-CG 4.24Å; Y164-P203 HydrophobicContact CD2-CB 3.73Å; Y164-P203 HydrophobicContact CD2-CG 3.56Å; Y164-P203 HydrophobicContact CE2-CG 3.95Å; Y164-P203 HydrophobicContact CG-CB 3.93Å; Y164-P203 HydrophobicContact CG-CG 3.7Å; Y164-I212 HydrophobicContact CD2-CD1 4.17Å; Y164-I212 HydrophobicContact CD2-CG1 4.48Å; Y164-N326 HydrophobicContact CE1-CB 4.01Å; Y164-N326 WeakPolarHBondContact OH-CB 3.41Å; Y164-T327 HydrophobicContact CD1-CG2 4.5Å; Y164-T327 WeakPolarHBondContact CD1-OG1 2.93Å; Y164-L330 HydrophobicContact CD1-CD1 4.19Å; Y164-L330 HydrophobicContact CE1-CD1 3.54Å; Y164-L330 HydrophobicContact CE2-CD1 4.17Å
165A94.3Very high91.7Very high0 Ų021.4 Ų21.40%011%0.11CC..Hα-helixtrans-61.1-42.3177.500000111.7P161 L162 E163 H169 L319 S323 T327P161-A165 WeakPolarHBondContact O-CB 2.73Å; P161-A165 PolarHBondContact O-N 2.82Å; L162-A165 WeakPolarHBondContact O-CB 3.19Å; L162-A165 PolarHBondContact O-N 2.97Å; E163-A165 VanDerWaalsContact C-N 3.32Å; E163-A165 PolarHBondContact O-N 3.26Å; A165-H169 VanDerWaalsContact O-CB 3.31Å; A165-H169 WeakPolarHBondContact O-CB 3.24Å; A165-H169 PolarHBondContact O-N 2.76Å; A165-L319 HydrophobicContact CB-CD1 3.9Å; A165-L319 HydrophobicContact CB-CD2 4.27Å; A165-S323 WeakPolarHBondContact CA-OG 3.48Å; A165-S323 WeakPolarHBondContact CB-OG 3.47Å; A165-S323 PolarHBondContact O-OG 2.85Å; A165-T327 HydrophobicContact CB-CG2 4.39Å; A165-T327 WeakPolarHBondContact CB-OG1 3.29Å
166I92.4Very high91.9Very high0 Ų021.4 Ų21.40%011%0.11CC..Hα-helixtrans-64.1-47.8176.5-65.9163.2000110.3L162 E163 Y164 V168 H169 E170 Y227 V228 F231 L319L162-I166 VanDerWaalsContact O-CG1 3.3Å; L162-I166 WeakPolarHBondContact O-CG1 3.36Å; L162-I166 PolarHBondContact O-N 3.33Å; E163-I166 PolarHBondContact O-N 3.03Å; Y164-I166 VanDerWaalsContact C-N 3.32Å; Y164-I166 PolarHBondContact O-N 3.02Å; I166-V168 VanDerWaalsContact C-N 3.35Å; I166-V168 PolarHBondContact O-N 2.99Å; I166-H169 WeakPolarHBondContact O-CB 3.34Å; I166-H169 PolarHBondContact O-N 3.11Å; I166-H169 VanDerWaalsContact O-N 3.07Å; I166-E170 PolarHBondContact O-N 2.99Å; I166-Y227 HydrophobicContact CG2-CE1 4.31Å; I166-V228 HydrophobicContact CD1-CG1 4.05Å; I166-F231 HydrophobicContact CD1-CB 3.76Å; I166-F231 HydrophobicContact CD1-CG 4.28Å; I166-F231 HydrophobicContact CG1-CB 4.15Å; I166-F231 HydrophobicContact CG1-CD1 4.09Å; I166-F231 HydrophobicContact CG1-CG 4.21Å; I166-L319 HydrophobicContact CG1-CD2 4.45Å
167A92.1Very high91.9Very high0 Ų022 Ų220%011%0.113CC..Hα-helixtrans-60.7-41.2-179.800000112.9E163 Y164 H169 E170 L171 V176 I212 I216E163-A167 PolarHBondContact O-N 3.25Å; Y164-A167 PolarHBondContact O-N 3.07Å; A167-H169 VanDerWaalsContact C-N 3.34Å; A167-E170 PolarHBondContact O-N 2.85Å; A167-L171 WeakPolarHBondContact O-CB 3.29Å; A167-L171 PolarHBondContact O-N 3.37Å; A167-V176 HydrophobicContact CB-CG2 4.23Å; A167-I212 HydrophobicContact CB-CG2 3.61Å; A167-I216 HydrophobicContact CB-CG1 4.16Å
168V93.1Very high91.9Very high2 Ų229.2 Ų29.21%0.01214%0.139CC..Hα-helixtrans-69.3-33.7175.6175.40000111.5Y164 I166 E170 G172 T173 V176Y164-V168 HydrophobicContact CD1-CG2 4.46Å; Y164-V168 HydrophobicContact CD2-CG2 3.98Å; Y164-V168 HydrophobicContact CE1-CG2 3.99Å; Y164-V168 HydrophobicContact CE2-CG2 3.47Å; Y164-V168 VanDerWaalsContact CE2-CG2 3.47Å; Y164-V168 HydrophobicContact CG-CG2 4.46Å; Y164-V168 VanDerWaalsContact CZ-CG2 3.48Å; Y164-V168 WeakPolarHBondContact O-CG2 3.47Å; Y164-V168 PolarHBondContact O-N 2.93Å; I166-V168 VanDerWaalsContact C-N 3.35Å; I166-V168 PolarHBondContact O-N 2.99Å; V168-E170 VanDerWaalsContact C-N 3.35Å; V168-G172 WeakPolarHBondContact O-CA 3.46Å; V168-G172 PolarHBondContact O-N 3.16Å; V168-T173 WeakPolarHBondContact CG1-OG1 3.25Å; V168-V176 HydrophobicContact CG2-CB 4.25Å; V168-V176 HydrophobicContact CG2-CG1 4.25Å; V168-V176 HydrophobicContact CG2-CG2 4.08Å
169H91.7Very high91.7Very high75 Ų7531.2 Ų31.235%0.34715%0.147SC..Hα-helixtrans-63.8-40.6176.3178.763.3000112A165 I166 A167 F231 L319 S320A165-H169 VanDerWaalsContact O-CB 3.31Å; A165-H169 WeakPolarHBondContact O-CB 3.24Å; A165-H169 PolarHBondContact O-N 2.76Å; I166-H169 WeakPolarHBondContact O-CB 3.34Å; I166-H169 PolarHBondContact O-N 3.11Å; I166-H169 VanDerWaalsContact O-N 3.07Å; A167-H169 VanDerWaalsContact C-N 3.34Å; H169-F231 AromaticContact CD2-CE1 3.85Å; H169-L319 HydrophobicContact CB-CD2 4.11Å; H169-S320 PolarHBondContact ND1-N 3.28Å; H169-S320 VanDerWaalsContact ND1-N 3.15Å
170E89.5Confident91.6Very high61 Ų6131.1 Ų31.129%0.28515%0.147SC..Hα-helixtrans-79.4-47.8-179.4-67.2-171.4136.900113.8I166 A167 V168 Y227I166-E170 PolarHBondContact O-N 2.99Å; A167-E170 PolarHBondContact O-N 2.85Å; V168-E170 VanDerWaalsContact C-N 3.35Å; E170-Y227 WeakPolarHBondContact OE1-CE1 3.5Å; E170-Y227 PolarHBondContact OE1-OH 3.09Å
171L89.6Confident91.3Very high43 Ų4331.7 Ų31.723%0.22515%0.153CC..Hα-helixtrans-103.8-13.8-166.5-58.4170.5000113A167 H175 V176 L215A167-L171 WeakPolarHBondContact O-CB 3.29Å; A167-L171 PolarHBondContact O-N 3.37Å; L171-H175 HydrophobicContact CB-CB 4.21Å; L171-H175 WeakPolarHBondContact O-CB 3.23Å; L171-V176 HydrophobicContact CB-CG2 4.23Å; L171-L215 HydrophobicContact CD1-CB 3.77Å
172G91.6Very high91Very high26 Ų2637 Ų3727%0.26818%0.176SC..  trans78.9157.8-173.400000113.6V168 E174 H175 V176V168-G172 WeakPolarHBondContact O-CA 3.46Å; V168-G172 PolarHBondContact O-N 3.16Å; G172-E174 PolarHBondContact O-N 3.03Å; G172-H175 PolarHBondContact O-N 3.48Å; G172-V176 WeakPolarHBondContact O-CG2 3.21Å; G172-V176 PolarHBondContact O-N 2.92Å
173T91.8Very high90.5Very high12 Ų1243.4 Ų43.47%0.07421%0.206CC..Hα-helixtrans-58.6-44.6-175.9-56.40000112.7V168 H175 V176 H177 E322 N326V168-T173 WeakPolarHBondContact CG1-OG1 3.25Å; T173-H175 VanDerWaalsContact C-N 3.32Å; T173-H175 PolarHBondContact O-N 2.96Å; T173-V176 PolarHBondContact O-N 3.4Å; T173-H177 WeakPolarHBondContact O-CB 3.28Å; T173-H177 PolarHBondContact O-CD2 2.89Å; T173-H177 VanDerWaalsContact O-CD2 3.25Å; T173-H177 PolarHBondContact O-N 3.34Å; T173-E322 VanDerWaalsContact CB-OE1 3.24Å; T173-E322 WeakPolarHBondContact CB-OE1 3.32Å; T173-E322 VanDerWaalsContact OG1-CD 3.24Å; T173-E322 PolarHBondContact OG1-OE1 3.2Å; T173-N326 VanDerWaalsContact CG2-ND2 3.3Å; T173-N326 WeakPolarHBondContact CG2-ND2 3.36Å; T173-N326 PolarHBondContact OG1-ND2 3.08Å
174E90.6Very high90.1Very high138 Ų13846.9 Ų46.965%0.64523%0.228SC*.Hα-helixtrans-63.9-35.3-176.6-70.8-5812500112.9G172 R178G172-E174 PolarHBondContact O-N 3.03Å; E174-R178 WeakPolarHBondContact O-CG 3.45Å
175H90.1Very high89Confident68 Ų6848.1 Ų48.132%0.31524%0.237SC..Hα-helixtrans-74.7-46.5179.2-170.579.2000111.2L171 G172 T173 H177 R178 F179L171-H175 HydrophobicContact CB-CB 4.21Å; L171-H175 WeakPolarHBondContact O-CB 3.23Å; G172-H175 PolarHBondContact O-N 3.48Å; T173-H175 VanDerWaalsContact C-N 3.32Å; T173-H175 PolarHBondContact O-N 2.96Å; H175-H177 VanDerWaalsContact C-N 3.34Å; H175-H177 PolarHBondContact O-N 3.25Å; H175-R178 WeakPolarHBondContact O-CB 3.37Å; H175-R178 PolarHBondContact O-N 3.26Å; H175-F179 AromaticContact NE2-CE2 3.8Å; H175-F179 WeakPolarHBondContact O-CD2 3.32Å
176V90.7Very high87.5Confident0 Ų052 Ų520%028%0.276CS..Hα-helixtrans-60.9-43.2-179.1174.20000111.4Y164 A167 V168 L171 G172 T173 R178 F179 V180 I212 L215Y164-V176 HydrophobicContact CD2-CG1 4.14Å; Y164-V176 HydrophobicContact CE2-CG1 3.83Å; A167-V176 HydrophobicContact CB-CG2 4.23Å; V168-V176 HydrophobicContact CG2-CB 4.25Å; V168-V176 HydrophobicContact CG2-CG1 4.25Å; V168-V176 HydrophobicContact CG2-CG2 4.08Å; L171-V176 HydrophobicContact CB-CG2 4.23Å; G172-V176 WeakPolarHBondContact O-CG2 3.21Å; G172-V176 PolarHBondContact O-N 2.92Å; T173-V176 PolarHBondContact O-N 3.4Å; V176-R178 VanDerWaalsContact C-N 3.25Å; V176-R178 PolarHBondContact O-N 3.41Å; V176-F179 PolarHBondContact O-N 2.95Å; V176-F179 VanDerWaalsContact O-N 3.1Å; V176-V180 PolarHBondContact O-N 2.54Å; V176-I212 HydrophobicContact CG1-CD1 3.41Å; V176-I212 VanDerWaalsContact CG1-CD1 3.41Å; V176-L215 HydrophobicContact CG1-CD1 4.32Å; V176-L215 HydrophobicContact CG2-CD1 4.42Å
177H90.9Very high86.1Confident23 Ų2357.4 Ų57.411%0.10630%0.3CS..THydrogen-bonded Turntrans-78.1-2.5-177.1-75.4-65.7000115.5Y164 T173 H175 F179 V180 G181 K182Y164-H177 AromaticContact CE2-NE2 3.87Å; Y164-H177 AromaticContact CZ-NE2 3.7Å; Y164-H177 PolarHBondContact OH-CE1 3.31Å; Y164-H177 PolarHBondContact OH-NE2 3.49Å; T173-H177 WeakPolarHBondContact O-CB 3.28Å; T173-H177 PolarHBondContact O-CD2 2.89Å; T173-H177 VanDerWaalsContact O-CD2 3.25Å; T173-H177 PolarHBondContact O-N 3.34Å; H175-H177 VanDerWaalsContact C-N 3.34Å; H175-H177 PolarHBondContact O-N 3.25Å; H177-F179 PolarHBondContact O-N 3.42Å; H177-V180 VanDerWaalsContact CA-O 3.29Å; H177-V180 WeakPolarHBondContact CA-O 3.44Å; H177-V180 PolarHBondContact ND1-O 3.24Å; H177-G181 PolarHBondContact ND1-O 2.77Å; H177-K182 WeakPolarHBondContact CD2-CE 3.26Å; H177-K182 WeakPolarHBondContact CE1-CG 3.22Å; H177-K182 VanDerWaalsContact ND1-CG 3.33Å; H177-K182 WeakPolarHBondContact ND1-CG 3.41Å
178R88.9Confident84.6Confident160 Ų16064.9 Ų64.960%0.60433%0.333SS*.THydrogen-bonded Turntrans-66.4-28.1163.7-72.1169.9-165.4-170.72111.6E174 H175 V176 K199E174-R178 WeakPolarHBondContact O-CG 3.45Å; H175-R178 WeakPolarHBondContact O-CB 3.37Å; H175-R178 PolarHBondContact O-N 3.26Å; V176-R178 VanDerWaalsContact C-N 3.25Å; V176-R178 PolarHBondContact O-N 3.41Å; R178-K199 WeakPolarHBondContact O-CD 3.3Å; R178-K199 WeakPolarHBondContact O-CE 3.48Å; R178-K199 PolarHBondContact O-NZ 2.97Å
179F86.8Confident82.7Confident42 Ų4267.3 Ų67.318%0.18434%0.343CS..THydrogen-bonded Turntrans-104-27.9-175.4-58.6-83.2000113.3H175 V176 H177 P200 V211 L215 C271 P273H175-F179 AromaticContact NE2-CE2 3.8Å; H175-F179 WeakPolarHBondContact O-CD2 3.32Å; V176-F179 PolarHBondContact O-N 2.95Å; V176-F179 VanDerWaalsContact O-N 3.1Å; H177-F179 PolarHBondContact O-N 3.42Å; F179-P200 VanDerWaalsContact O-CD 3.29Å; F179-P200 WeakPolarHBondContact O-CD 3.27Å; F179-V211 HydrophobicContact CB-CG1 3.65Å; F179-L215 HydrophobicContact CB-CD1 4.46Å; F179-L215 HydrophobicContact CD2-CD1 4.12Å; F179-L215 HydrophobicContact CD2-CD2 3.64Å; F179-L215 HydrophobicContact CE2-CD2 3.75Å; F179-L215 HydrophobicContact CG-CD2 4.15Å; F179-L215 HydrophobicContact CZ-CD2 4.33Å; F179-C271 WeakPolarHBondContact CD1-O 3.37Å; F179-P273 HydrophobicContact CE1-CG 4.25Å; F179-P273 HydrophobicContact CZ-CG 4.33Å
180V89.9Confident81Confident0 Ų069.1 Ų69.10%036%0.356CS..SBendtrans-129.6136.7-176.9-175.40000111.2V176 H177 N202 P203 V211 I212V176-V180 PolarHBondContact O-N 2.54Å; H177-V180 VanDerWaalsContact CA-O 3.29Å; H177-V180 WeakPolarHBondContact CA-O 3.44Å; H177-V180 PolarHBondContact ND1-O 3.24Å; V180-N202 VanDerWaalsContact CG1-C 3.49Å; V180-P203 HydrophobicContact CG1-CB 4.43Å; V180-V211 HydrophobicContact CG2-CB 3.91Å; V180-V211 HydrophobicContact CG2-CG1 3.63Å; V180-I212 HydrophobicContact CB-CD1 4.37Å; V180-I212 HydrophobicContact CG2-CD1 3.75Å; V180-I212 HydrophobicContact CG2-CG1 4.26Å
181G88.1Confident79.7Confident12 Ų1272.9 Ų72.912%0.12437%0.371CS..  trans-67.8179.3176.200000114.2H177 P200 H201H177-G181 PolarHBondContact ND1-O 2.77Å; G181-P200 PolarHBondContact N-O 2.75Å; G181-H201 CarbonylContact C-O 3.59Å; G181-H201 WeakPolarHBondContact CA-O 3.45Å
182K87.8Confident78.5Confident112 Ų11275.3 Ų75.349%0.48738%0.384SS..  trans-118.4-5-177.7-66.7172.9-176.71750113.1H177 H201 L330H177-K182 WeakPolarHBondContact CD2-CE 3.26Å; H177-K182 WeakPolarHBondContact CE1-CG 3.22Å; H177-K182 VanDerWaalsContact ND1-CG 3.33Å; H177-K182 WeakPolarHBondContact ND1-CG 3.41Å; K182-H201 PolarHBondContact N-O 3.1Å; K182-L330 VanDerWaalsContact O-CD2 3.25Å; K182-L330 WeakPolarHBondContact O-CD2 3.4Å
183E84.2Confident77.2Confident136 Ų13675.9 Ų75.964%0.63638%0.384SS*.SBendtrans-109.2153.4-164.3-68.4-172.217500112H201 N202E183-H201 PolarHBondContact N-O 3.39Å; E183-H201 CarbonylContact O-C 3.55Å; E183-H201 VanDerWaalsContact O-O 3.06Å; E183-N202 PolarHBondContact O-ND2 3.44Å
184P82.9Confident76.5Confident73 Ų7376.5 Ų76.547%0.47439%0.387SS..  trans-66144.7169.728.9-33.8000110.1G186P184-G186 VanDerWaalsContact C-N 3.3Å; P184-G186 PolarHBondContact O-N 3.2Å
185S71.1Confident75.8Confident28 Ų2871.6 Ų71.620%0.19636%0.364CS..  trans-70.3-22.7-177.651.20000114F187S185-F187 WeakPolarHBondContact O-CD2 3.35Å; S185-F187 PolarHBondContact O-N 2.88Å
186G64.6Low75Confident80 Ų8078.1 Ų78.183%0.82540%0.395SS*.  trans66.1-14.7-176.400000115.7P184P184-G186 VanDerWaalsContact C-N 3.3Å; P184-G186 PolarHBondContact O-N 3.2Å
187F62.1Low74.3Confident115 Ų11584.6 Ų84.650%0.50443%0.425SS..SBendtrans-95.1156.3174.1-62.2-72.3000112S185 F189S185-F187 WeakPolarHBondContact O-CD2 3.35Å; S185-F187 PolarHBondContact O-N 2.88Å; F187-F189 PolarHBondContact O-N 2.81Å
188K60.4Low73.9Confident157 Ų15786.8 Ų86.868%0.68344%0.438SS*.  trans-49.3135.1170.9-68.4-172.7177.7-175.70110.4N190 K191K188-N190 PolarHBondContact O-N 3.34Å; K188-K191 PolarHBondContact O-N 3.24Å
189F53.7Low73.7Confident52 Ų5281.7 Ų81.723%0.22842%0.42CS..THydrogen-bonded Turntrans-48.6-23.5-179-179.5-103.7000114.1F187 R258 Y337 D338F187-F189 PolarHBondContact O-N 2.81Å; F189-R258 PolarHBondContact O-NH2 3.45Å; F189-Y337 HydrophobicContact CD1-CD1 4.33Å; F189-Y337 AromaticContact CD2-CD1 3.79Å; F189-Y337 HydrophobicContact CD2-CD1 3.79Å; F189-Y337 HydrophobicContact CE1-CD1 4.09Å; F189-Y337 HydrophobicContact CE1-CE1 4.23Å; F189-Y337 AromaticContact CE2-CD1 3.52Å; F189-Y337 HydrophobicContact CE2-CD1 3.52Å; F189-Y337 AromaticContact CE2-CE1 3.94Å; F189-Y337 HydrophobicContact CE2-CE1 3.94Å; F189-Y337 HydrophobicContact CG-CD1 4.19Å; F189-Y337 AromaticContact CZ-CD1 3.69Å; F189-Y337 HydrophobicContact CZ-CD1 3.69Å; F189-Y337 AromaticContact CZ-CE1 3.72Å; F189-Y337 HydrophobicContact CZ-CE1 3.72Å; F189-D338 VanDerWaalsContact CB-OD1 3.27Å; F189-D338 WeakPolarHBondContact CB-OD1 3.3Å; F189-D338 PolarHBondContact N-OD1 3.45Å; F189-D338 PolarHBondContact N-OD2 3Å
190N55.5Low73.7Confident114 Ų11479.7 Ų79.761%0.6141%0.412SS*.THydrogen-bonded Turntrans-84-7.7-178.5-71-14.3000116.1K188 R258K188-N190 PolarHBondContact O-N 3.34Å; N190-R258 VanDerWaalsContact CA-NH2 3.27Å; N190-R258 PolarHBondContact O-NH2 2.9Å; N190-R258 PolarHBondContact OD1-NH1 2.94Å
191K63.2Low73.5Confident140 Ų14080.7 Ų80.761%0.60942%0.416SS*.SBendtrans-90.3123.2178.7-73.2-173.4176.6-175.40111.9K188 S193K188-K191 PolarHBondContact O-N 3.24Å; K191-S193 PolarHBondContact O-N 3.26Å
192L64.6Low73.6Confident93 Ų9380.3 Ų80.349%0.48741%0.411SS..  trans-63.4102.4164-80.1134000108.3I262L192-I262 HydrophobicContact CD2-CB 4.25Å; L192-I262 HydrophobicContact CD2-CG1 3.41Å; L192-I262 VanDerWaalsContact CD2-CG1 3.41Å; L192-I262 HydrophobicContact CG-CG1 4.3Å
193S63.3Low73.7Confident38 Ų3875 Ų7527%0.26639%0.388SS..  trans-139.6134174.4540000109.3K191 H201K191-S193 PolarHBondContact O-N 3.26Å; S193-H201 PolarHBondContact O-CD2 2.88Å; S193-H201 VanDerWaalsContact O-CD2 3.3Å; S193-H201 PolarHBondContact O-NE2 2.8Å
194L76.1Confident74Confident26 Ų2668.6 Ų68.614%0.13636%0.359CS..  trans-97165.7166.2-63.7170000108.5K199 P200 Y265 L266 K269L194-K199 WeakPolarHBondContact CA-O 3.35Å; L194-K199 WeakPolarHBondContact CB-O 3.48Å; L194-K199 WeakPolarHBondContact CD2-O 3.49Å; L194-P200 HydrophobicContact CD2-CG 4.34Å; L194-Y265 HydrophobicContact CD1-CD1 4.11Å; L194-Y265 HydrophobicContact CD1-CE1 3.46Å; L194-Y265 VanDerWaalsContact CD1-CE1 3.46Å; L194-Y265 HydrophobicContact CG-CD1 4.42Å; L194-Y265 HydrophobicContact CG-CE1 3.74Å; L194-L266 HydrophobicContact CD2-CD2 3.77Å; L194-K269 HydrophobicContact CD1-CB 4.27Å; L194-K269 HydrophobicContact CD1-CG 3.92Å
195N76.7Confident74.2Confident34 Ų3466.5 Ų66.518%0.18234%0.344CS..  trans-71.8170.7173.4-54.337.4000109.6E197 D198 K199 H201N195-E197 PolarHBondContact O-N 3.43Å; N195-E197 VanDerWaalsContact O-N 3.08Å; N195-D198 PolarHBondContact O-N 2.88Å; N195-K199 PolarHBondContact N-O 2.95Å; N195-K199 PolarHBondContact OD1-O 3.48Å; N195-H201 WeakPolarHBondContact OD1-CA 3.41Å; N195-H201 PolarHBondContact OD1-CE1 3.03Å; N195-H201 PolarHBondContact OD1-N 3.21Å; N195-H201 PolarHBondContact OD1-ND1 3.47Å
196E73.6Confident75.1Confident205 Ų20566.3 Ų66.396%0.95834%0.341SS*.THydrogen-bonded Turntrans-57.8-23.4173.7-61-172165.700113D198E196-D198 VanDerWaalsContact C-N 3.33Å
197E76.3Confident76.2Confident136 Ų13663.3 Ų63.364%0.63631%0.308SS*.THydrogen-bonded Turntrans-89.415.4175.5-57.7-172169.900114.3N195 K199N195-E197 PolarHBondContact O-N 3.43Å; N195-E197 VanDerWaalsContact O-N 3.08Å; E197-K199 HydrophobicContact CB-CD 4.24Å; E197-K199 HydrophobicContact CB-CG 4.48Å; E197-K199 PolarHBondContact O-N 3.28Å; E197-K199 WeakPolarHBondContact OE2-CE 3.22Å; E197-K199 IonicContact OE2-NZ 2.71Å; E197-K199 PolarHBondContact OE2-NZ 3.19Å
198D82.6Confident77.4Confident70 Ų7057.9 Ų57.937%0.37428%0.284SS..SBendtrans56.330.4-177.1-80.3-36.8000113.7N195 E196 K269 C271N195-D198 PolarHBondContact O-N 2.88Å; E196-D198 VanDerWaalsContact C-N 3.33Å; D198-K269 HydrophobicContact CB-CD 4.49Å; D198-K269 VanDerWaalsContact CG-NZ 3.25Å; D198-K269 IonicContact OD1-NZ 2.81Å; D198-K269 PolarHBondContact OD1-NZ 2.61Å; D198-K269 IonicContact OD2-NZ 2.99Å; D198-K269 PolarHBondContact OD2-NZ 3.38Å; D198-C271 PolarHBondContact O-SG 2.77Å
199K84.3Confident78.8Confident52 Ų5250.4 Ų50.423%0.22625%0.252CS..SBendtrans-110.5158.7175.9-65.3168.5-162.7169.60111R178 L194 N195 E197R178-K199 WeakPolarHBondContact O-CD 3.3Å; R178-K199 WeakPolarHBondContact O-CE 3.48Å; R178-K199 PolarHBondContact O-NZ 2.97Å; L194-K199 WeakPolarHBondContact CA-O 3.35Å; L194-K199 WeakPolarHBondContact CB-O 3.48Å; L194-K199 WeakPolarHBondContact CD2-O 3.49Å; N195-K199 PolarHBondContact N-O 2.95Å; N195-K199 PolarHBondContact OD1-O 3.48Å; E197-K199 HydrophobicContact CB-CD 4.24Å; E197-K199 HydrophobicContact CB-CG 4.48Å; E197-K199 PolarHBondContact O-N 3.28Å; E197-K199 WeakPolarHBondContact OE2-CE 3.22Å; E197-K199 IonicContact OE2-NZ 2.71Å; E197-K199 PolarHBondContact OE2-NZ 3.19Å
200P86.1Confident80.5Confident1 Ų148 Ų481%0.00624%0.241CC..  trans-66.1146.6166.6-17.430.8000111.8F179 G181 L194 N202 A207 V211 L266F179-P200 VanDerWaalsContact O-CD 3.29Å; F179-P200 WeakPolarHBondContact O-CD 3.27Å; G181-P200 PolarHBondContact N-O 2.75Å; L194-P200 HydrophobicContact CD2-CG 4.34Å; P200-N202 PolarHBondContact O-N 3.16Å; P200-A207 HydrophobicContact CB-CB 4.04Å; P200-A207 HydrophobicContact CG-CB 4.32Å; P200-V211 HydrophobicContact CG-CB 4.47Å; P200-V211 HydrophobicContact CG-CG2 3.82Å; P200-L266 HydrophobicContact CG-CD2 3.89Å
201H86.4Confident82.2Confident21 Ų2142.5 Ų42.510%0.09721%0.212CC..SBendtrans-59.3-45.3-173.8-72.4-78.1000114.7G181 K182 E183 S193 N195G181-H201 CarbonylContact C-O 3.59Å; G181-H201 WeakPolarHBondContact CA-O 3.45Å; K182-H201 PolarHBondContact N-O 3.1Å; E183-H201 PolarHBondContact N-O 3.39Å; E183-H201 CarbonylContact O-C 3.55Å; E183-H201 VanDerWaalsContact O-O 3.06Å; S193-H201 PolarHBondContact O-CD2 2.88Å; S193-H201 VanDerWaalsContact O-CD2 3.3Å; S193-H201 PolarHBondContact O-NE2 2.8Å; N195-H201 WeakPolarHBondContact OD1-CA 3.41Å; N195-H201 PolarHBondContact OD1-CE1 3.03Å; N195-H201 PolarHBondContact OD1-N 3.21Å; N195-H201 PolarHBondContact OD1-ND1 3.47Å
202N89.6Confident83.4Confident3 Ų335.9 Ų35.92%0.01618%0.184CC..  trans-161.9163.3-176.855.974.5000109.9V180 E183 P200 M204 V205 G208 C334V180-N202 VanDerWaalsContact CG1-C 3.49Å; E183-N202 PolarHBondContact O-ND2 3.44Å; P200-N202 PolarHBondContact O-N 3.16Å; N202-M204 PolarHBondContact O-N 2.8Å; N202-M204 WeakPolarHBondContact OD1-CB 3.34Å; N202-M204 PolarHBondContact OD1-N 2.74Å; N202-M204 VanDerWaalsContact OD1-N 3.09Å; N202-V205 WeakPolarHBondContact O-CG2 3.22Å; N202-V205 PolarHBondContact OD1-N 2.77Å; N202-V205 VanDerWaalsContact OD1-N 3.16Å; N202-G208 WeakPolarHBondContact O-CA 3.11Å; N202-C334 HydrophobicContact CB-CB 4.46Å
203P90Very high84.6Confident1 Ų131.5 Ų31.51%0.00616%0.161CC..THydrogen-bonded Turntrans-71.8-10.1178.529.1-37.4000114.1Y164 V180 I212 L330Y164-P203 HydrophobicContact CD1-CG 4.24Å; Y164-P203 HydrophobicContact CD2-CB 3.73Å; Y164-P203 HydrophobicContact CD2-CG 3.56Å; Y164-P203 HydrophobicContact CE2-CG 3.95Å; Y164-P203 HydrophobicContact CG-CB 3.93Å; Y164-P203 HydrophobicContact CG-CG 3.7Å; V180-P203 HydrophobicContact CG1-CB 4.43Å; P203-I212 HydrophobicContact CB-CG1 3.99Å; P203-L330 HydrophobicContact CG-CD1 3.59Å
204M90.2Very high85.7Confident2 Ų230.5 Ų30.51%0.0115%0.154CC..THydrogen-bonded Turntrans-81.1-19.9-177.7-57.4-59.6161.100112.6K160 P161 N202 L330 M331 C334 K352K160-M204 VanDerWaalsContact CD-O 3.27Å; K160-M204 WeakPolarHBondContact CD-O 3.2Å; K160-M204 PolarHBondContact NZ-O 3.03Å; P161-M204 HydrophobicContact CB-CE 3.87Å; P161-M204 HydrophobicContact CB-SD 4.19Å; P161-M204 HydrophobicContact CG-CE 4.04Å; P161-M204 HydrophobicContact CG-SD 3.69Å; N202-M204 PolarHBondContact O-N 2.8Å; N202-M204 WeakPolarHBondContact OD1-CB 3.34Å; N202-M204 PolarHBondContact OD1-N 2.74Å; N202-M204 VanDerWaalsContact OD1-N 3.09Å; M204-L330 HydrophobicContact CE-CB 3.79Å; M204-L330 HydrophobicContact CG-CB 4.47Å; M204-M331 HydrophobicContact CE-CG 3.94Å; M204-C334 HydrophobicContact CB-CB 3.95Å; M204-C334 VanDerWaalsContact CB-O 3.28Å; M204-C334 WeakPolarHBondContact CB-O 3.22Å; M204-C334 HydrophobicContact CG-CB 3.96Å; M204-K352 HydrophobicContact SD-CD 3.92Å
205V89Confident86.2Confident28 Ų2829.6 Ų29.617%0.1715%0.149CC..SBendtrans-84.3155.8170.2-63.40000111.7N202 A207 G208 A209N202-V205 WeakPolarHBondContact O-CG2 3.22Å; N202-V205 PolarHBondContact OD1-N 2.77Å; N202-V205 VanDerWaalsContact OD1-N 3.16Å; V205-A207 VanDerWaalsContact C-N 3.3Å; V205-A207 PolarHBondContact O-N 3.22Å; V205-G208 PolarHBondContact O-N 2.76Å; V205-A209 PolarHBondContact O-N 3.29Å
206N88.7Confident86.4Confident25 Ų2528 Ų2813%0.13414%0.14CC..Hα-helixtrans-55.9-43.8-177.4-649.6000112.3K160 G208 A209 I210 N259 I262K160-N206 PolarHBondContact NZ-OD1 3.45Å; N206-G208 VanDerWaalsContact C-N 3.34Å; N206-G208 PolarHBondContact O-N 3.06Å; N206-A209 PolarHBondContact O-N 2.91Å; N206-I210 WeakPolarHBondContact O-CD1 3.43Å; N206-I210 VanDerWaalsContact O-CG1 3.25Å; N206-I210 WeakPolarHBondContact O-CG1 3.35Å; N206-I210 PolarHBondContact O-N 3.42Å; N206-N259 PolarHBondContact ND2-OD1 3.37Å; N206-I262 HydrophobicContact CB-CD1 4.17Å
207A87.8Confident86Confident17 Ų1725.5 Ų25.514%0.1413%0.126CC..Hα-helixtrans-60-42.818000000112.5P200 V205 V211 I262 L266P200-A207 HydrophobicContact CB-CB 4.04Å; P200-A207 HydrophobicContact CG-CB 4.32Å; V205-A207 VanDerWaalsContact C-N 3.3Å; V205-A207 PolarHBondContact O-N 3.22Å; A207-V211 WeakPolarHBondContact O-CG2 3.47Å; A207-V211 PolarHBondContact O-N 2.79Å; A207-I262 HydrophobicContact CB-CG2 3.68Å; A207-L266 HydrophobicContact CB-CD1 4.31Å
208G88.6Confident85.1Confident0 Ų023 Ų230%011%0.114CC..Hα-helixtrans-66.9-45.9176.900000111.6N202 V205 N206 I210 V211 I212N202-G208 WeakPolarHBondContact O-CA 3.11Å; V205-G208 PolarHBondContact O-N 2.76Å; N206-G208 VanDerWaalsContact C-N 3.34Å; N206-G208 PolarHBondContact O-N 3.06Å; G208-I210 VanDerWaalsContact C-N 3.34Å; G208-I210 PolarHBondContact O-N 3.34Å; G208-V211 PolarHBondContact O-N 2.95Å; G208-V211 VanDerWaalsContact O-N 3.1Å; G208-I212 WeakPolarHBondContact O-CG1 3.02Å; G208-I212 PolarHBondContact O-N 3.35Å
209A89.4Confident83.8Confident1 Ų125 Ų251%0.00813%0.134CC..Hα-helixtrans-58.8-42.2177.700000112.6K160 V205 N206 V211 I212 S213 Y285K160-A209 HydrophobicContact CB-CB 4.35Å; K160-A209 HydrophobicContact CD-CB 3.9Å; K160-A209 HydrophobicContact CG-CB 3.73Å; V205-A209 PolarHBondContact O-N 3.29Å; N206-A209 PolarHBondContact O-N 2.91Å; A209-V211 VanDerWaalsContact C-N 3.3Å; A209-V211 PolarHBondContact O-N 3.38Å; A209-I212 PolarHBondContact O-N 3.39Å; A209-S213 WeakPolarHBondContact O-CB 3.36Å; A209-S213 PolarHBondContact O-N 2.86Å; A209-S213 PolarHBondContact O-OG 3.4Å; A209-Y285 HydrophobicContact CB-CD2 3.95Å; A209-Y285 HydrophobicContact CB-CE2 3.54Å
210I89.1Confident83.1Confident0 Ų026.8 Ų26.80%015%0.146CC..Hα-helixtrans-62.3-37.9175.6-66.1160.6000111.6N206 G208 S213 S214 N259 I262 F272 L282 Y285N206-I210 WeakPolarHBondContact O-CD1 3.43Å; N206-I210 VanDerWaalsContact O-CG1 3.25Å; N206-I210 WeakPolarHBondContact O-CG1 3.35Å; N206-I210 PolarHBondContact O-N 3.42Å; G208-I210 VanDerWaalsContact C-N 3.34Å; G208-I210 PolarHBondContact O-N 3.34Å; I210-S213 WeakPolarHBondContact O-CB 3.32Å; I210-S213 PolarHBondContact O-N 3.39Å; I210-S214 PolarHBondContact O-N 3.3Å; I210-N259 HydrophobicContact CD1-CB 4.43Å; I210-I262 HydrophobicContact CD1-CB 4.5Å; I210-I262 HydrophobicContact CD1-CG2 3.99Å; I210-F272 HydrophobicContact CG2-CE1 4.04Å; I210-F272 HydrophobicContact CG2-CZ 4.04Å; I210-L282 HydrophobicContact CD1-CD2 3.61Å; I210-L282 HydrophobicContact CG1-CD2 3.91Å; I210-L282 HydrophobicContact CG2-CD2 3.87Å; I210-L282 HydrophobicContact CG2-CG 4.42Å; I210-Y285 HydrophobicContact CG1-CD1 4Å; I210-Y285 HydrophobicContact CG1-CD2 4.16Å; I210-Y285 HydrophobicContact CG1-CE1 4.38Å; I210-Y285 HydrophobicContact CG1-CG 3.87Å
211V89.9Confident82.5Confident0 Ų032 Ų320%017%0.169CC..Hα-helixtrans-68.8-42.5174.9173.60000111F179 V180 P200 A207 G208 A209 S213 S214 L215 L266 C271 F272F179-V211 HydrophobicContact CB-CG1 3.65Å; V180-V211 HydrophobicContact CG2-CB 3.91Å; V180-V211 HydrophobicContact CG2-CG1 3.63Å; P200-V211 HydrophobicContact CG-CB 4.47Å; P200-V211 HydrophobicContact CG-CG2 3.82Å; A207-V211 WeakPolarHBondContact O-CG2 3.47Å; A207-V211 PolarHBondContact O-N 2.79Å; G208-V211 PolarHBondContact O-N 2.95Å; G208-V211 VanDerWaalsContact O-N 3.1Å; A209-V211 VanDerWaalsContact C-N 3.3Å; A209-V211 PolarHBondContact O-N 3.38Å; V211-S213 VanDerWaalsContact C-N 3.3Å; V211-S213 PolarHBondContact O-N 3.04Å; V211-S214 WeakPolarHBondContact O-CB 3.37Å; V211-S214 PolarHBondContact O-N 3.42Å; V211-S214 PolarHBondContact O-OG 3.03Å; V211-L215 PolarHBondContact O-N 3.49Å; V211-L266 HydrophobicContact CG2-CD1 3.9Å; V211-L266 HydrophobicContact CG2-CD2 4.31Å; V211-C271 HydrophobicContact CG2-CB 4.41Å; V211-F272 HydrophobicContact CG2-CE1 4.33Å
212I90.1Very high82Confident1 Ų134.2 Ų34.21%0.00519%0.191CC..Hα-helixtrans-60.4-42.1174-62.7-53.1000111E163 Y164 A167 V176 V180 P203 G208 A209 S214 L215 I216E163-I212 HydrophobicContact CG-CG2 3.83Å; Y164-I212 HydrophobicContact CD2-CD1 4.17Å; Y164-I212 HydrophobicContact CD2-CG1 4.48Å; A167-I212 HydrophobicContact CB-CG2 3.61Å; V176-I212 HydrophobicContact CG1-CD1 3.41Å; V176-I212 VanDerWaalsContact CG1-CD1 3.41Å; V180-I212 HydrophobicContact CB-CD1 4.37Å; V180-I212 HydrophobicContact CG2-CD1 3.75Å; V180-I212 HydrophobicContact CG2-CG1 4.26Å; P203-I212 HydrophobicContact CB-CG1 3.99Å; G208-I212 WeakPolarHBondContact O-CG1 3.02Å; G208-I212 PolarHBondContact O-N 3.35Å; A209-I212 PolarHBondContact O-N 3.39Å; I212-S214 PolarHBondContact O-N 3.05Å; I212-S214 VanDerWaalsContact O-N 3.16Å; I212-L215 HydrophobicContact CD1-CD1 4.03Å; I212-L215 WeakPolarHBondContact O-CB 3.4Å; I212-L215 PolarHBondContact O-N 3.02Å; I212-I216 PolarHBondContact O-N 3.43Å
213S88.3Confident81.7Confident0 Ų038.2 Ų38.20%021%0.209CC..Hα-helixtrans-54.5-34.3172.7-760000110.9E163 A209 I210 V211 L215 R224E163-S213 WeakPolarHBondContact OE1-CA 3.3Å; E163-S213 VanDerWaalsContact OE1-CB 3.27Å; E163-S213 WeakPolarHBondContact OE1-CB 3.37Å; E163-S213 PolarHBondContact OE1-N 3.3Å; E163-S213 PolarHBondContact OE1-OG 3.41Å; A209-S213 WeakPolarHBondContact O-CB 3.36Å; A209-S213 PolarHBondContact O-N 2.86Å; A209-S213 PolarHBondContact O-OG 3.4Å; I210-S213 WeakPolarHBondContact O-CB 3.32Å; I210-S213 PolarHBondContact O-N 3.39Å; V211-S213 VanDerWaalsContact C-N 3.3Å; V211-S213 PolarHBondContact O-N 3.04Å; S213-L215 VanDerWaalsContact C-N 3.31Å; S213-L215 PolarHBondContact O-N 3.41Å; S213-R224 PolarHBondContact O-NH2 2.94Å
214S87.5Confident81.4Confident17 Ų1739.7 Ų39.712%0.11922%0.215CC..Hα-helixtrans-73.9-18.9176.979.30000114.6I210 V211 I212 P273I210-S214 PolarHBondContact O-N 3.3Å; V211-S214 WeakPolarHBondContact O-CB 3.37Å; V211-S214 PolarHBondContact O-N 3.42Å; V211-S214 PolarHBondContact O-OG 3.03Å; I212-S214 PolarHBondContact O-N 3.05Å; I212-S214 VanDerWaalsContact O-N 3.16Å; S214-P273 VanDerWaalsContact OG-CD 3.3Å; S214-P273 WeakPolarHBondContact OG-CD 3.19Å
215L85.8Confident81.1Confident7 Ų741 Ų414%0.03722%0.22CC..Hα-helixtrans-86.6-31.6-175.1-64.3175.9000113.3L171 V176 F179 V211 I212 S213 K217 P273L171-L215 HydrophobicContact CD1-CB 3.77Å; V176-L215 HydrophobicContact CG1-CD1 4.32Å; V176-L215 HydrophobicContact CG2-CD1 4.42Å; F179-L215 HydrophobicContact CB-CD1 4.46Å; F179-L215 HydrophobicContact CD2-CD1 4.12Å; F179-L215 HydrophobicContact CD2-CD2 3.64Å; F179-L215 HydrophobicContact CE2-CD2 3.75Å; F179-L215 HydrophobicContact CG-CD2 4.15Å; F179-L215 HydrophobicContact CZ-CD2 4.33Å; V211-L215 PolarHBondContact O-N 3.49Å; I212-L215 HydrophobicContact CD1-CD1 4.03Å; I212-L215 WeakPolarHBondContact O-CB 3.4Å; I212-L215 PolarHBondContact O-N 3.02Å; S213-L215 VanDerWaalsContact C-N 3.31Å; S213-L215 PolarHBondContact O-N 3.41Å; L215-K217 PolarHBondContact O-N 2.95Å; L215-K217 VanDerWaalsContact O-N 3.11Å; L215-P273 HydrophobicContact CD2-CG 3.67Å
216I81.2Confident81Confident1 Ų144.8 Ų44.81%0.00524%0.239CC..SBendtrans-65.9111.2-178.5-61.1173000109.1E163 A167 I212 R224 V228 F284E163-I216 HydrophobicContact CG-CD1 3.68Å; A167-I216 HydrophobicContact CB-CG1 4.16Å; I212-I216 PolarHBondContact O-N 3.43Å; I216-R224 PolarHBondContact O-NE 3.22Å; I216-R224 PolarHBondContact O-NH2 3.46Å; I216-V228 HydrophobicContact CD1-CG2 4.49Å; I216-V228 HydrophobicContact CG2-CG2 4.4Å; I216-F284 HydrophobicContact CD1-CE1 4.42Å
217K65.2Low81Confident153 Ų15346.1 Ų46.167%0.66524%0.243SC*.  trans-86.4120.8-169.1-82.1-176.5176.6176.10112.1L215L215-K217 PolarHBondContact O-N 2.95Å; L215-K217 VanDerWaalsContact O-N 3.11Å
218H57.1Low81Confident82 Ų8245.3 Ų45.338%0.3824%0.237SC..  trans-153.3157.2143.1-88.3-76.1000110.5N220 E223 R224 Y227H218-N220 VanDerWaalsContact C-N 3.29Å; H218-N220 PolarHBondContact O-N 2.98Å; H218-E223 HydrophobicContact CB-CB 4.21Å; H218-R224 HydrophobicContact CB-CG 3.5Å; H218-Y227 AromaticContact CD2-CD2 3.99Å; H218-Y227 AromaticContact CD2-CG 3.93Å; H218-Y227 AromaticContact NE2-CD2 3.44Å; H218-Y227 WeakPolarHBondContact NE2-CD2 3.28Å; H218-Y227 AromaticContact NE2-CE2 3.79Å; H218-Y227 AromaticContact NE2-CG 3.87Å
219S55.7Low81Confident112 Ų11246 Ų4678%0.78324%0.24SC*.SBendtrans-62-31.4-172-46.70000113.6
220N70.1Confident81.1Confident91 Ų9152 Ų5249%0.48727%0.268SS..SBendtrans-124.6145.5-174.7-70.4-25.9000112.4H218 A222 E223 R224H218-N220 VanDerWaalsContact C-N 3.29Å; H218-N220 PolarHBondContact O-N 2.98Å; N220-A222 VanDerWaalsContact C-N 3.31Å; N220-A222 PolarHBondContact O-N 3.39Å; N220-E223 HydrophobicContact CB-CB 4.41Å; N220-E223 HydrophobicContact CB-CG 4.22Å; N220-E223 PolarHBondContact ND2-OE1 2.75Å; N220-E223 PolarHBondContact O-N 3.02Å; N220-R224 WeakPolarHBondContact O-CG 3.3Å; N220-R224 PolarHBondContact O-N 3.11Å
221K72.3Confident81.1Confident110 Ų11053.3 Ų53.348%0.47827%0.273SS..Hα-helixtrans-55.4-40.6179.2-68.6-171178.8-171.80113.2D283K221-D283 IonicContact NZ-OD2 2.75Å; K221-D283 PolarHBondContact NZ-OD2 3.28Å
222A76.8Confident81.2Confident68 Ų6853.3 Ų53.356%0.56227%0.273SS*.Hα-helixtrans-70.4-44.8-178.300000113N220 R224 F225 D226N220-A222 VanDerWaalsContact C-N 3.31Å; N220-A222 PolarHBondContact O-N 3.39Å; A222-R224 PolarHBondContact O-N 3.31Å; A222-F225 PolarHBondContact O-N 3.41Å; A222-F225 VanDerWaalsContact O-N 3.09Å; A222-D226 PolarHBondContact O-N 3.11Å
223E82.8Confident81.3Confident86 Ų8658 Ų5840%0.40229%0.294SS..Hα-helixtrans-59.6-35.8178.5-72.5169-15400111.9H218 N220 F225 D226 Y227H218-E223 HydrophobicContact CB-CB 4.21Å; N220-E223 HydrophobicContact CB-CB 4.41Å; N220-E223 HydrophobicContact CB-CG 4.22Å; N220-E223 PolarHBondContact ND2-OE1 2.75Å; N220-E223 PolarHBondContact O-N 3.02Å; E223-F225 VanDerWaalsContact C-N 3.35Å; E223-F225 PolarHBondContact O-N 3.49Å; E223-D226 PolarHBondContact O-N 3.36Å; E223-Y227 VanDerWaalsContact O-CB 3.29Å; E223-Y227 WeakPolarHBondContact O-CB 3.46Å; E223-Y227 PolarHBondContact O-N 3.03Å
224R83.4Confident81.5Confident33 Ų3360.2 Ų60.213%0.12531%0.31CS..Hα-helixtrans-62.3-41.9176.5-68.4176.465-174.9-10.6112.3S213 I216 H218 N220 A222 V228 F284S213-R224 PolarHBondContact O-NH2 2.94Å; I216-R224 PolarHBondContact O-NE 3.22Å; I216-R224 PolarHBondContact O-NH2 3.46Å; H218-R224 HydrophobicContact CB-CG 3.5Å; N220-R224 WeakPolarHBondContact O-CG 3.3Å; N220-R224 PolarHBondContact O-N 3.11Å; A222-R224 PolarHBondContact O-N 3.31Å; R224-V228 PolarHBondContact O-N 2.91Å; R224-F284 HydrophobicContact CB-CD2 4.32Å; R224-F284 HydrophobicContact CB-CE2 3.75Å; R224-F284 HydrophobicContact CB-CZ 4.06Å
225F85.1Confident81.7Confident29 Ų2959.4 Ų59.413%0.12730%0.304CS..Hα-helixtrans-69.5-45.1179-176.8-99.3000111.2A222 E223 Y227 V228 M229 F243 F284 Q287 I291A222-F225 PolarHBondContact O-N 3.41Å; A222-F225 VanDerWaalsContact O-N 3.09Å; E223-F225 VanDerWaalsContact C-N 3.35Å; E223-F225 PolarHBondContact O-N 3.49Å; F225-Y227 VanDerWaalsContact C-N 3.26Å; F225-Y227 PolarHBondContact O-N 3.15Å; F225-V228 PolarHBondContact O-N 3.44Å; F225-M229 HydrophobicContact CD1-CG 3.93Å; F225-M229 HydrophobicContact CE1-CG 3.51Å; F225-M229 HydrophobicContact CE1-SD 4.26Å; F225-M229 HydrophobicContact CE2-CG 4.21Å; F225-M229 HydrophobicContact CG-CG 4.45Å; F225-M229 HydrophobicContact CZ-CG 3.65Å; F225-M229 HydrophobicContact CZ-SD 3.91Å; F225-M229 WeakPolarHBondContact O-CB 3.45Å; F225-M229 VanDerWaalsContact O-CG 3.31Å; F225-M229 WeakPolarHBondContact O-CG 3.35Å; F225-M229 PolarHBondContact O-N 3.16Å; F225-F243 HydrophobicContact CE1-CD2 4.49Å; F225-F243 HydrophobicContact CE1-CG 4.34Å; F225-F243 AromaticContact CE2-CD2 3.9Å; F225-F243 HydrophobicContact CE2-CD2 3.9Å; F225-F243 AromaticContact CE2-CE2 3.98Å; F225-F243 HydrophobicContact CE2-CE2 3.98Å; F225-F243 HydrophobicContact CZ-CB 4.07Å; F225-F243 HydrophobicContact CZ-CD1 4.34Å; F225-F243 AromaticContact CZ-CD2 3.48Å; F225-F243 HydrophobicContact CZ-CD2 3.48Å; F225-F243 VanDerWaalsContact CZ-CD2 3.48Å; F225-F243 AromaticContact CZ-CE2 3.95Å; F225-F243 HydrophobicContact CZ-CE2 3.95Å; F225-F243 AromaticContact CZ-CG 3.71Å; F225-F243 HydrophobicContact CZ-CG 3.71Å; F225-F284 HydrophobicContact CB-CE2 4.3Å; F225-Q287 HydrophobicContact CD2-CB 3.92Å; F225-Q287 HydrophobicContact CE2-CB 4.03Å; F225-I291 HydrophobicContact CE2-CD1 4.26Å; F225-I291 HydrophobicContact CE2-CG1 4.17Å; F225-I291 HydrophobicContact CZ-CG1 4.44Å
226D86.8Confident81.9Confident107 Ų10759.1 Ų59.157%0.57230%0.302SS*.Hα-helixtrans-59.9-39.3176.6-73.4-24.6000111.9A222 E223 M229 Q230A222-D226 PolarHBondContact O-N 3.11Å; E223-D226 PolarHBondContact O-N 3.36Å; D226-M229 PolarHBondContact O-N 2.91Å; D226-Q230 WeakPolarHBondContact O-CB 3.4Å; D226-Q230 PolarHBondContact O-N 3.06Å
227Y87.5Confident82.1Confident53 Ų5359.2 Ų59.221%0.20830%0.303CS..Hα-helixtrans-60.8-52.5175.8-173.8-93.7000112.1I166 E170 H218 E223 F225 M229 Q230 F231I166-Y227 HydrophobicContact CG2-CE1 4.31Å; E170-Y227 WeakPolarHBondContact OE1-CE1 3.5Å; E170-Y227 PolarHBondContact OE1-OH 3.09Å; H218-Y227 AromaticContact CD2-CD2 3.99Å; H218-Y227 AromaticContact CD2-CG 3.93Å; H218-Y227 AromaticContact NE2-CD2 3.44Å; H218-Y227 WeakPolarHBondContact NE2-CD2 3.28Å; H218-Y227 AromaticContact NE2-CE2 3.79Å; H218-Y227 AromaticContact NE2-CG 3.87Å; E223-Y227 VanDerWaalsContact O-CB 3.29Å; E223-Y227 WeakPolarHBondContact O-CB 3.46Å; E223-Y227 PolarHBondContact O-N 3.03Å; F225-Y227 VanDerWaalsContact C-N 3.26Å; F225-Y227 PolarHBondContact O-N 3.15Å; Y227-M229 VanDerWaalsContact C-N 3.31Å; Y227-M229 PolarHBondContact O-N 3.5Å; Y227-Q230 WeakPolarHBondContact O-CB 3.42Å; Y227-Q230 PolarHBondContact O-N 3.06Å; Y227-Q230 VanDerWaalsContact O-N 3.15Å; Y227-F231 HydrophobicContact CD1-CD2 4.04Å; Y227-F231 HydrophobicContact CD1-CE2 4.16Å; Y227-F231 HydrophobicContact CD2-CE2 4.48Å; Y227-F231 AromaticContact CE1-CD2 3.64Å; Y227-F231 HydrophobicContact CE1-CD2 3.64Å; Y227-F231 AromaticContact CE1-CE2 3.37Å; Y227-F231 HydrophobicContact CE1-CE2 3.37Å; Y227-F231 HydrophobicContact CE1-CZ 4.22Å; Y227-F231 HydrophobicContact CE2-CD2 4.45Å; Y227-F231 AromaticContact CE2-CE2 3.79Å; Y227-F231 HydrophobicContact CE2-CE2 3.79Å; Y227-F231 AromaticContact CZ-CD2 3.9Å; Y227-F231 AromaticContact CZ-CE2 3.17Å; Y227-F231 AromaticContact CZ-CZ 3.93Å; Y227-F231 WeakPolarHBondContact O-CD2 3.25Å; Y227-F231 PolarHBondContact O-N 3.15Å; Y227-F231 VanDerWaalsContact O-N 3.11Å; Y227-F231 WeakPolarHBondContact OH-CE2 3.36Å; Y227-F231 WeakPolarHBondContact OH-CZ 3.43Å
228V88.4Confident82.8Confident1 Ų157.4 Ų57.41%0.00631%0.306CS..Hα-helixtrans-63.2-40.3177.9174.50000111.1I166 I216 R224 F225 Q230 F231 L232 F284 L288I166-V228 HydrophobicContact CD1-CG1 4.05Å; I216-V228 HydrophobicContact CD1-CG2 4.49Å; I216-V228 HydrophobicContact CG2-CG2 4.4Å; R224-V228 PolarHBondContact O-N 2.91Å; F225-V228 PolarHBondContact O-N 3.44Å; V228-Q230 VanDerWaalsContact C-N 3.28Å; V228-Q230 PolarHBondContact O-N 2.89Å; V228-F231 WeakPolarHBondContact O-CB 3.21Å; V228-F231 PolarHBondContact O-N 3.36Å; V228-F231 VanDerWaalsContact O-N 3.15Å; V228-L232 HydrophobicContact CG1-CD1 4.17Å; V228-L232 HydrophobicContact CG1-CG 4.18Å; V228-L232 WeakPolarHBondContact O-CG 3.22Å; V228-L232 PolarHBondContact O-N 3.32Å; V228-F284 HydrophobicContact CG2-CZ 3.81Å; V228-L288 HydrophobicContact CB-CD2 4.04Å; V228-L288 HydrophobicContact CG1-CD2 3.6Å; V228-L288 HydrophobicContact CG2-CD2 4.36Å
229M89.5Confident84.1Confident14 Ų1456.1 Ų56.17%0.06930%0.3CS..Hα-helixtrans-60.5-37.1175.5-77.1-65.7-72.500112.4F225 D226 Y227 L232 K233 V241 I291F225-M229 HydrophobicContact CD1-CG 3.93Å; F225-M229 HydrophobicContact CE1-CG 3.51Å; F225-M229 HydrophobicContact CE1-SD 4.26Å; F225-M229 HydrophobicContact CE2-CG 4.21Å; F225-M229 HydrophobicContact CG-CG 4.45Å; F225-M229 HydrophobicContact CZ-CG 3.65Å; F225-M229 HydrophobicContact CZ-SD 3.91Å; F225-M229 WeakPolarHBondContact O-CB 3.45Å; F225-M229 VanDerWaalsContact O-CG 3.31Å; F225-M229 WeakPolarHBondContact O-CG 3.35Å; F225-M229 PolarHBondContact O-N 3.16Å; D226-M229 PolarHBondContact O-N 2.91Å; Y227-M229 VanDerWaalsContact C-N 3.31Å; Y227-M229 PolarHBondContact O-N 3.5Å; M229-L232 PolarHBondContact O-N 2.86Å; M229-L232 HydrophobicContact SD-CD1 4.43Å; M229-K233 WeakPolarHBondContact O-CB 3.45Å; M229-K233 VanDerWaalsContact O-CG 3.22Å; M229-K233 WeakPolarHBondContact O-CG 3.27Å; M229-K233 PolarHBondContact O-N 3.17Å; M229-V241 HydrophobicContact CE-CB 4.3Å; M229-V241 HydrophobicContact CE-CG1 3.68Å; M229-V241 HydrophobicContact SD-CG1 3.88Å; M229-I291 HydrophobicContact SD-CD1 3.97Å; M229-I291 HydrophobicContact SD-CG1 4.21Å; M229-I291 HydrophobicContact SD-CG2 4.27Å
230Q90Very high85.7Confident126 Ų12655.6 Ų55.659%0.58928%0.281SS*.Hα-helixtrans-63.9-45173.9-174173.61.800111.3D226 Y227 V228 K233 S234D226-Q230 WeakPolarHBondContact O-CB 3.4Å; D226-Q230 PolarHBondContact O-N 3.06Å; Y227-Q230 WeakPolarHBondContact O-CB 3.42Å; Y227-Q230 PolarHBondContact O-N 3.06Å; Y227-Q230 VanDerWaalsContact O-N 3.15Å; V228-Q230 VanDerWaalsContact C-N 3.28Å; V228-Q230 PolarHBondContact O-N 2.89Å; Q230-K233 PolarHBondContact O-N 3.17Å; Q230-S234 WeakPolarHBondContact O-CB 3.1Å; Q230-S234 PolarHBondContact O-N 2.86Å; Q230-S234 PolarHBondContact O-OG 3.02Å
231F90.5Very high86.7Confident28 Ų2852 Ų5212%0.12326%0.262CS..Hα-helixtrans-60.6-45.6175.1-90.8-95.6000112.4I166 H169 Y227 V228 K233 S234 M235 V318I166-F231 HydrophobicContact CD1-CB 3.76Å; I166-F231 HydrophobicContact CD1-CG 4.28Å; I166-F231 HydrophobicContact CG1-CB 4.15Å; I166-F231 HydrophobicContact CG1-CD1 4.09Å; I166-F231 HydrophobicContact CG1-CG 4.21Å; H169-F231 AromaticContact CD2-CE1 3.85Å; Y227-F231 HydrophobicContact CD1-CD2 4.04Å; Y227-F231 HydrophobicContact CD1-CE2 4.16Å; Y227-F231 HydrophobicContact CD2-CE2 4.48Å; Y227-F231 AromaticContact CE1-CD2 3.64Å; Y227-F231 HydrophobicContact CE1-CD2 3.64Å; Y227-F231 AromaticContact CE1-CE2 3.37Å; Y227-F231 HydrophobicContact CE1-CE2 3.37Å; Y227-F231 HydrophobicContact CE1-CZ 4.22Å; Y227-F231 HydrophobicContact CE2-CD2 4.45Å; Y227-F231 AromaticContact CE2-CE2 3.79Å; Y227-F231 HydrophobicContact CE2-CE2 3.79Å; Y227-F231 AromaticContact CZ-CD2 3.9Å; Y227-F231 AromaticContact CZ-CE2 3.17Å; Y227-F231 AromaticContact CZ-CZ 3.93Å; Y227-F231 WeakPolarHBondContact O-CD2 3.25Å; Y227-F231 PolarHBondContact O-N 3.15Å; Y227-F231 VanDerWaalsContact O-N 3.11Å; Y227-F231 WeakPolarHBondContact OH-CE2 3.36Å; Y227-F231 WeakPolarHBondContact OH-CZ 3.43Å; V228-F231 WeakPolarHBondContact O-CB 3.21Å; V228-F231 PolarHBondContact O-N 3.36Å; V228-F231 VanDerWaalsContact O-N 3.15Å; F231-K233 PolarHBondContact O-N 3.27Å; F231-S234 PolarHBondContact O-N 2.83Å; F231-M235 WeakPolarHBondContact O-CG 3.33Å; F231-M235 PolarHBondContact O-N 2.88Å; F231-V318 HydrophobicContact CD1-CG1 4.07Å
232L91.3Very high87.5Confident0 Ų047.3 Ų47.30%025%0.245CC..Hα-helixtrans-62.1-42.5177.3-67-178.8000111.6L162 V228 M229 S234 M235 A236 V241 I291 M301L162-L232 HydrophobicContact CB-CD2 4.11Å; L162-L232 HydrophobicContact CD1-CD2 3.64Å; L162-L232 HydrophobicContact CG-CD2 4.47Å; V228-L232 HydrophobicContact CG1-CD1 4.17Å; V228-L232 HydrophobicContact CG1-CG 4.18Å; V228-L232 WeakPolarHBondContact O-CG 3.22Å; V228-L232 PolarHBondContact O-N 3.32Å; M229-L232 PolarHBondContact O-N 2.86Å; M229-L232 HydrophobicContact SD-CD1 4.43Å; L232-S234 VanDerWaalsContact C-N 3.35Å; L232-S234 PolarHBondContact O-N 2.94Å; L232-M235 HydrophobicContact CD2-CE 3.48Å; L232-M235 VanDerWaalsContact CD2-CE 3.48Å; L232-M235 HydrophobicContact CG-CE 4.46Å; L232-M235 PolarHBondContact O-N 2.8Å; L232-A236 VanDerWaalsContact O-CB 3.31Å; L232-A236 WeakPolarHBondContact O-CB 3.46Å; L232-A236 PolarHBondContact O-N 3.31Å; L232-V241 HydrophobicContact CB-CG1 4.12Å; L232-V241 HydrophobicContact CD1-CG1 4.4Å; L232-I291 HydrophobicContact CD1-CD1 3.44Å; L232-I291 VanDerWaalsContact CD1-CD1 3.44Å; L232-I291 HydrophobicContact CD1-CG2 3.99Å; L232-M301 HydrophobicContact CB-CE 4.13Å
233K92.3Very high88Confident99 Ų9946.8 Ų46.843%0.4323%0.23SC..Hα-helixtrans-63.5-39.5175.6-75.7171.9-178.31750112.2M229 Q230 F231 A236 G237 T238 V241M229-K233 WeakPolarHBondContact O-CB 3.45Å; M229-K233 VanDerWaalsContact O-CG 3.22Å; M229-K233 WeakPolarHBondContact O-CG 3.27Å; M229-K233 PolarHBondContact O-N 3.17Å; Q230-K233 PolarHBondContact O-N 3.17Å; F231-K233 PolarHBondContact O-N 3.27Å; K233-A236 PolarHBondContact O-N 3.49Å; K233-G237 PolarHBondContact O-N 3.09Å; K233-G237 VanDerWaalsContact O-N 3.13Å; K233-T238 PolarHBondContact O-N 2.73Å; K233-V241 HydrophobicContact CG-CB 4.03Å; K233-V241 HydrophobicContact CG-CG2 4.07Å
234S91.8Very high88Confident48 Ų4843.5 Ų43.534%0.33622%0.217SC..Hα-helixtrans-65.5-42.2174.1-700000111.7Q230 F231 L232 A236 G237Q230-S234 WeakPolarHBondContact O-CB 3.1Å; Q230-S234 PolarHBondContact O-N 2.86Å; Q230-S234 PolarHBondContact O-OG 3.02Å; F231-S234 PolarHBondContact O-N 2.83Å; L232-S234 VanDerWaalsContact C-N 3.35Å; L232-S234 PolarHBondContact O-N 2.94Å; S234-A236 VanDerWaalsContact C-N 3.34Å; S234-A236 PolarHBondContact O-N 3.47Å; S234-G237 PolarHBondContact O-N 3.38Å
235M91.3Very high87.8Confident0 Ų047.3 Ų47.30%024%0.24CC..Hα-helixtrans-67.1-33.5175.3-70.7-168.2-7000112.9L162 F231 L232 G237 M301 T304 V318 L319L162-M235 HydrophobicContact CB-CE 4.2Å; L162-M235 HydrophobicContact CD2-CE 4.12Å; L162-M235 HydrophobicContact CD2-SD 4.32Å; F231-M235 WeakPolarHBondContact O-CG 3.33Å; F231-M235 PolarHBondContact O-N 2.88Å; L232-M235 HydrophobicContact CD2-CE 3.48Å; L232-M235 VanDerWaalsContact CD2-CE 3.48Å; L232-M235 HydrophobicContact CG-CE 4.46Å; L232-M235 PolarHBondContact O-N 2.8Å; M235-G237 VanDerWaalsContact C-N 3.27Å; M235-G237 PolarHBondContact O-N 3.22Å; M235-M301 HydrophobicContact CB-CG 4.21Å; M235-T304 HydrophobicContact CB-CG2 4.39Å; M235-T304 HydrophobicContact CG-CG2 4.13Å; M235-T304 PolarHBondContact O-OG1 3.31Å; M235-V318 HydrophobicContact CG-CB 4.14Å; M235-V318 HydrophobicContact CG-CG1 3.51Å; M235-L319 HydrophobicContact SD-CD1 3.65Å; M235-L319 HydrophobicContact SD-CG 4.25Å
236A90.9Very high87Confident0 Ų048.4 Ų48.40%025%0.254CS..THydrogen-bonded Turntrans-81.7-2.717700000113.3L232 K233 S234 E239 V241 V300 M301L232-A236 VanDerWaalsContact O-CB 3.31Å; L232-A236 WeakPolarHBondContact O-CB 3.46Å; L232-A236 PolarHBondContact O-N 3.31Å; K233-A236 PolarHBondContact O-N 3.49Å; S234-A236 VanDerWaalsContact C-N 3.34Å; S234-A236 PolarHBondContact O-N 3.47Å; A236-E239 HydrophobicContact CB-CB 4.25Å; A236-E239 WeakPolarHBondContact O-CB 3.06Å; A236-E239 VanDerWaalsContact O-CG 3.23Å; A236-E239 WeakPolarHBondContact O-CG 3.44Å; A236-E239 PolarHBondContact O-N 3.26Å; A236-V241 HydrophobicContact CB-CG2 3.98Å; A236-V300 WeakPolarHBondContact O-CG1 3.31Å; A236-M301 HydrophobicContact CB-CE 3.74Å; A236-M301 HydrophobicContact CB-CG 4.03Å
237G85.4Confident86Confident3 Ų343.4 Ų43.43%0.03123%0.228CC..THydrogen-bonded Turntrans63.341.3-179.400000113.6K233 S234 M235 E239K233-G237 PolarHBondContact O-N 3.09Å; K233-G237 VanDerWaalsContact O-N 3.13Å; S234-G237 PolarHBondContact O-N 3.38Å; M235-G237 VanDerWaalsContact C-N 3.27Å; M235-G237 PolarHBondContact O-N 3.22Å; G237-E239 VanDerWaalsContact C-N 3.28Å; G237-E239 PolarHBondContact O-N 2.86Å
238T79.5Confident84.7Confident116 Ų11642.7 Ų42.771%0.71223%0.225SC*.THydrogen-bonded Turntrans67.515.4-178670000116.4K233K233-T238 PolarHBondContact O-N 2.73Å
239E84.5Confident83.2Confident54 Ų5446.8 Ų46.825%0.25224%0.243SC..  trans-70.1176.5169.1-68.1-75-176.700112.4R143 A236 G237 V241R143-E239 IonicContact CZ-OE1 3.19Å; R143-E239 IonicContact NH1-OE1 2.75Å; R143-E239 PolarHBondContact NH1-OE1 3.33Å; R143-E239 IonicContact NH2-OE1 2.77Å; R143-E239 PolarHBondContact NH2-OE1 2.61Å; A236-E239 HydrophobicContact CB-CB 4.25Å; A236-E239 WeakPolarHBondContact O-CB 3.06Å; A236-E239 VanDerWaalsContact O-CG 3.23Å; A236-E239 WeakPolarHBondContact O-CG 3.44Å; A236-E239 PolarHBondContact O-N 3.26Å; G237-E239 VanDerWaalsContact C-N 3.28Å; G237-E239 PolarHBondContact O-N 2.86Å; E239-V241 PolarHBondContact O-N 2.91Å
240Y89.8Confident81.6Confident102 Ų10248.3 Ų48.340%0.425%0.25SC..  trans-60.8118-178.5179.9-95000112.4P152 E292 T294 S297P152-Y240 HydrophobicContact CB-CE1 3.68Å; Y240-E292 HydrophobicContact CE1-CB 4.27Å; Y240-T294 HydrophobicContact CD1-CG2 3.89Å; Y240-T294 HydrophobicContact CG-CG2 4.43Å; Y240-S297 WeakPolarHBondContact O-CB 3.42Å; Y240-S297 PolarHBondContact O-OG 2.8Å
241V90.1Very high80.1Confident15 Ų1542.9 Ų42.99%0.09123%0.226CC..EExtended strand (participates in β ladder)trans-131.7108.3167-172.70000106.9M229 L232 K233 A236 E239 I291 M301M229-V241 HydrophobicContact CE-CB 4.3Å; M229-V241 HydrophobicContact CE-CG1 3.68Å; M229-V241 HydrophobicContact SD-CG1 3.88Å; L232-V241 HydrophobicContact CB-CG1 4.12Å; L232-V241 HydrophobicContact CD1-CG1 4.4Å; K233-V241 HydrophobicContact CG-CB 4.03Å; K233-V241 HydrophobicContact CG-CG2 4.07Å; A236-V241 HydrophobicContact CB-CG2 3.98Å; E239-V241 PolarHBondContact O-N 2.91Å; V241-I291 HydrophobicContact CG1-CG2 3.84Å; V241-M301 HydrophobicContact CG2-CE 3.71Å
242G89.3Confident78.4Confident11 Ų1142.4 Ų42.411%0.11322%0.224CC..EExtended strand (participates in β ladder)trans-108.5-176.1-176.500000112.9E292G242-E292 PolarHBondContact N-O 3.07Å; G242-E292 PolarHBondContact O-N 2.98Å
243F87.4Confident76.8Confident57 Ų5750.2 Ų50.225%0.2525%0.253CS..EExtended strand (participates in β ladder)trans-145.9130177.1179.1-115.2000110.6F225 N245 Y248 Q287 I291F225-F243 HydrophobicContact CE1-CD2 4.49Å; F225-F243 HydrophobicContact CE1-CG 4.34Å; F225-F243 AromaticContact CE2-CD2 3.9Å; F225-F243 HydrophobicContact CE2-CD2 3.9Å; F225-F243 AromaticContact CE2-CE2 3.98Å; F225-F243 HydrophobicContact CE2-CE2 3.98Å; F225-F243 HydrophobicContact CZ-CB 4.07Å; F225-F243 HydrophobicContact CZ-CD1 4.34Å; F225-F243 AromaticContact CZ-CD2 3.48Å; F225-F243 HydrophobicContact CZ-CD2 3.48Å; F225-F243 VanDerWaalsContact CZ-CD2 3.48Å; F225-F243 AromaticContact CZ-CE2 3.95Å; F225-F243 HydrophobicContact CZ-CE2 3.95Å; F225-F243 AromaticContact CZ-CG 3.71Å; F225-F243 HydrophobicContact CZ-CG 3.71Å; F243-N245 WeakPolarHBondContact CD1-OD1 3.3Å; F243-N245 WeakPolarHBondContact CE1-OD1 3.38Å; F243-Y248 HydrophobicContact CZ-CD1 4.23Å; F243-Y248 HydrophobicContact CZ-CD2 4.46Å; F243-Y248 AromaticContact CZ-CG 3.95Å; F243-Y248 HydrophobicContact CZ-CG 3.95Å; F243-Q287 HydrophobicContact CE2-CB 4.22Å; F243-Q287 WeakPolarHBondContact CE2-O 3.47Å; F243-Q287 HydrophobicContact CZ-CB 4.4Å; F243-Q287 HydrophobicContact CZ-CG 4.3Å; F243-I291 HydrophobicContact CD2-CG1 4.45Å
244S82.8Confident75.4Confident18 Ų1851.5 Ų51.513%0.12626%0.261CS..  trans-10198.6-179.2-145.40000111.8A246 T247 Y248 S290 E292S244-A246 PolarHBondContact O-N 3.31Å; S244-T247 PolarHBondContact O-N 3.12Å; S244-T247 PolarHBondContact OG-OG1 3.27Å; S244-Y248 WeakPolarHBondContact O-CB 3.31Å; S244-Y248 PolarHBondContact O-N 2.94Å; S244-S290 PolarHBondContact N-O 2.98Å; S244-E292 VanDerWaalsContact CB-CD 3.42Å; S244-E292 WeakPolarHBondContact CB-OE1 3.3Å; S244-E292 PolarHBondContact OG-OE1 2.97Å
245N79.6Confident74.2Confident112 Ų11252.6 Ų52.660%0.59927%0.265SS*.Hα-helixtrans-58.9-34.8173.6-70.8-7000112.3F243 Y248 F249F243-N245 WeakPolarHBondContact CD1-OD1 3.3Å; F243-N245 WeakPolarHBondContact CE1-OD1 3.38Å; N245-Y248 PolarHBondContact O-N 2.87Å; N245-F249 WeakPolarHBondContact O-CB 3.34Å; N245-F249 PolarHBondContact O-N 3.35Å
246A67.6Low73.3Confident52 Ų5252.8 Ų52.843%0.4327%0.268SS..Hα-helixtrans-66.7-46.3-17700000111.5Q123 S244 Q250Q123-A246 HydrophobicContact CG-CB 4.26Å; Q123-A246 PolarHBondContact NE2-O 3.36Å; Q123-A246 VanDerWaalsContact NE2-O 3.08Å; S244-A246 PolarHBondContact O-N 3.31Å; A246-Q250 PolarHBondContact O-N 3.34Å
247T66.8Low72.8Confident3 Ų358.5 Ų58.52%0.01830%0.298CS..Hα-helixtrans-67-40176-52.20000111.2C154 S244 Q250 S251C154-T247 HydrophobicContact CB-CG2 4.5Å; C154-T247 PolarHBondContact SG-OG1 3.39Å; S244-T247 PolarHBondContact O-N 3.12Å; S244-T247 PolarHBondContact OG-OG1 3.27Å; T247-Q250 PolarHBondContact O-N 2.93Å; T247-S251 VanDerWaalsContact O-CB 3.31Å; T247-S251 WeakPolarHBondContact O-CB 3.44Å; T247-S251 PolarHBondContact O-N 3.06Å; T247-S251 PolarHBondContact O-OG 3.45Å
248Y60.4Low72.6Confident38 Ų3862.6 Ų62.615%0.14931%0.313CS..Hα-helixtrans-56.9-54.1175.1173.4-116.6000111.6F243 S244 N245 Q250 S251 E252 F286 Q287 S290F243-Y248 HydrophobicContact CZ-CD1 4.23Å; F243-Y248 HydrophobicContact CZ-CD2 4.46Å; F243-Y248 AromaticContact CZ-CG 3.95Å; F243-Y248 HydrophobicContact CZ-CG 3.95Å; S244-Y248 WeakPolarHBondContact O-CB 3.31Å; S244-Y248 PolarHBondContact O-N 2.94Å; N245-Y248 PolarHBondContact O-N 2.87Å; Y248-Q250 VanDerWaalsContact C-N 3.32Å; Y248-Q250 PolarHBondContact O-N 3.19Å; Y248-S251 PolarHBondContact O-N 2.93Å; Y248-E252 HydrophobicContact CE2-CB 4.34Å; Y248-E252 HydrophobicContact CE2-CG 4.45Å; Y248-E252 WeakPolarHBondContact CE2-OE1 3.24Å; Y248-E252 VanDerWaalsContact CZ-CD 3.41Å; Y248-E252 VanDerWaalsContact CZ-OE2 3.26Å; Y248-E252 WeakPolarHBondContact O-CB 3.32Å; Y248-E252 PolarHBondContact O-N 2.85Å; Y248-E252 VanDerWaalsContact OH-CD 3.27Å; Y248-E252 PolarHBondContact OH-OE1 3.33Å; Y248-E252 PolarHBondContact OH-OE2 2.86Å; Y248-F286 HydrophobicContact CD2-CB 3.89Å; Y248-F286 HydrophobicContact CE2-CB 3.73Å; Y248-Q287 HydrophobicContact CD2-CB 4.38Å; Y248-Q287 HydrophobicContact CD2-CG 3.78Å; Y248-Q287 HydrophobicContact CE1-CG 4.28Å; Y248-Q287 HydrophobicContact CE2-CB 4.19Å; Y248-Q287 HydrophobicContact CE2-CG 3.25Å; Y248-Q287 HydrophobicContact CG-CG 4.49Å; Y248-Q287 PolarHBondContact OH-NE2 2.96Å; Y248-S290 WeakPolarHBondContact CA-OG 3.34Å; Y248-S290 PolarHBondContact N-OG 3.47Å
249F55.4Low72.9Confident86 Ų8658.1 Ų58.138%0.37729%0.285SS..Hα-helixtrans-58.4-40.2-179.4-172.5-90.7000112.9N245 R253N245-F249 WeakPolarHBondContact O-CB 3.34Å; N245-F249 PolarHBondContact O-N 3.35Å; F249-R253 VanDerWaalsContact CZ-CZ 3.48Å; F249-R253 WeakPolarHBondContact O-CB 3.37Å; F249-R253 PolarHBondContact O-N 3.33Å
250Q56.7Low73Confident46 Ų4658.4 Ų58.422%0.21528%0.284CS..Hα-helixtrans-82.2-28.5-179.1-69.8-166.7-9.800113.8A246 T247 Y248 T255A246-Q250 PolarHBondContact O-N 3.34Å; T247-Q250 PolarHBondContact O-N 2.93Å; Y248-Q250 VanDerWaalsContact C-N 3.32Å; Y248-Q250 PolarHBondContact O-N 3.19Å; Q250-T255 PolarHBondContact O-OG1 3.26Å
251S58Low72.9Confident12 Ų1255.8 Ų55.88%0.08428%0.283CS..Hα-helixtrans-77.9-27.7173.990.50000113.3T247 Y248 F286T247-S251 VanDerWaalsContact O-CB 3.31Å; T247-S251 WeakPolarHBondContact O-CB 3.44Å; T247-S251 PolarHBondContact O-N 3.06Å; T247-S251 PolarHBondContact O-OG 3.45Å; Y248-S251 PolarHBondContact O-N 2.93Å; S251-F286 VanDerWaalsContact O-CE1 3.31Å; S251-F286 WeakPolarHBondContact O-CE1 3.47Å
252E55.3Low72.7Confident19 Ų1955.4 Ų55.49%0.08928%0.281CS..Hα-helixtrans-87.6-43.1-176.8-177.7-175-12900113.2Y248 Y260 F286Y248-E252 HydrophobicContact CE2-CB 4.34Å; Y248-E252 HydrophobicContact CE2-CG 4.45Å; Y248-E252 WeakPolarHBondContact CE2-OE1 3.24Å; Y248-E252 VanDerWaalsContact CZ-CD 3.41Å; Y248-E252 VanDerWaalsContact CZ-OE2 3.26Å; Y248-E252 WeakPolarHBondContact O-CB 3.32Å; Y248-E252 PolarHBondContact O-N 2.85Å; Y248-E252 VanDerWaalsContact OH-CD 3.27Å; Y248-E252 PolarHBondContact OH-OE1 3.33Å; Y248-E252 PolarHBondContact OH-OE2 2.86Å; E252-Y260 VanDerWaalsContact O-CE2 3.28Å; E252-Y260 WeakPolarHBondContact O-CE2 3.32Å; E252-Y260 PolarHBondContact O-OH 3.4Å; E252-F286 HydrophobicContact CB-CB 4.18Å; E252-F286 HydrophobicContact CB-CD2 3.94Å; E252-F286 HydrophobicContact CB-CE2 4.47Å; E252-F286 HydrophobicContact CB-CG 4.07Å; E252-F286 HydrophobicContact CG-CD2 3.75Å; E252-F286 HydrophobicContact CG-CE2 4.24Å; E252-F286 HydrophobicContact CG-CG 4.34Å
253R58.3Low72.5Confident164 Ų16454.9 Ų54.962%0.61928%0.275SS*.Hα-helixtrans-103.7-28.4-165.5-77.2176.653.5166.9-6.1116.4F249F249-R253 VanDerWaalsContact CZ-CZ 3.48Å; F249-R253 WeakPolarHBondContact O-CB 3.37Å; F249-R253 PolarHBondContact O-N 3.33Å
254E62.1Low72.5Confident126 Ų12658.5 Ų58.559%0.58929%0.288SS*.THydrogen-bonded Turntrans-112-28.2-169.8-72.5178177.500113.9
255T66.9Low72.7Confident70 Ų7061.5 Ų61.543%0.42930%0.297SS..SBendtrans-128.62.8-171.759.50000114.1Q250 D257Q250-T255 PolarHBondContact O-OG1 3.26Å; T255-D257 VanDerWaalsContact C-N 3.34Å; T255-D257 PolarHBondContact O-N 3.27Å
256G72.4Confident73Confident5 Ų556.2 Ų56.25%0.05227%0.269CS..  trans-826.7-171.400000116.5R258 N259 Y260G256-R258 PolarHBondContact O-N 2.96Å; G256-N259 PolarHBondContact O-N 3.35Å; G256-Y260 WeakPolarHBondContact O-CD2 3.45Å; G256-Y260 PolarHBondContact O-N 3.25Å
257D79.8Confident73.9Confident120 Ų12059.4 Ų59.464%0.64227%0.273SS*.Hα-helixtrans-49.3-40.3-168.9-66.2-26.5000114.2T255 N259 Y260 A261T255-D257 VanDerWaalsContact C-N 3.34Å; T255-D257 PolarHBondContact O-N 3.27Å; D257-N259 PolarHBondContact O-N 2.9Å; D257-Y260 PolarHBondContact O-N 2.98Å; D257-A261 PolarHBondContact O-N 3.02Å
258R82.6Confident74.9Confident88 Ų8866.5 Ų66.533%0.33231%0.306SS..Hα-helixtrans-64.4-39.2179.4-175.6173.9173.7-161.9-11.2112.4F189 N190 G256 A261 I262F189-R258 PolarHBondContact O-NH2 3.45Å; N190-R258 VanDerWaalsContact CA-NH2 3.27Å; N190-R258 PolarHBondContact O-NH2 2.9Å; N190-R258 PolarHBondContact OD1-NH1 2.94Å; G256-R258 PolarHBondContact O-N 2.96Å; R258-A261 PolarHBondContact O-N 3.14Å; R258-I262 HydrophobicContact CG-CD1 4.26Å; R258-I262 VanDerWaalsContact O-CG1 3.26Å; R258-I262 WeakPolarHBondContact O-CG1 3.44Å; R258-I262 PolarHBondContact O-N 3.36Å
259N85.3Confident76.1Confident23 Ų2368.3 Ų68.312%0.12332%0.315CS..Hα-helixtrans-72.2-33.8178.7-64.7-35.2000110.8N206 I210 G256 D257 I262 G263 L282 F286N206-N259 PolarHBondContact ND2-OD1 3.37Å; I210-N259 HydrophobicContact CD1-CB 4.43Å; G256-N259 PolarHBondContact O-N 3.35Å; D257-N259 PolarHBondContact O-N 2.9Å; N259-I262 PolarHBondContact O-N 2.91Å; N259-G263 PolarHBondContact O-N 3.42Å; N259-L282 HydrophobicContact CB-CD2 4.37Å; N259-F286 HydrophobicContact CB-CE1 4.26Å; N259-F286 HydrophobicContact CB-CZ 3.8Å; N259-F286 WeakPolarHBondContact ND2-CE1 3.39Å
260Y86.4Confident77.4Confident59 Ų5973 Ų7323%0.23134%0.335CS..Hα-helixtrans-61.9-46.6169.5-71.8-73.2000111.7E252 G256 D257 I262 G263 Y264 L282E252-Y260 VanDerWaalsContact O-CE2 3.28Å; E252-Y260 WeakPolarHBondContact O-CE2 3.32Å; E252-Y260 PolarHBondContact O-OH 3.4Å; G256-Y260 WeakPolarHBondContact O-CD2 3.45Å; G256-Y260 PolarHBondContact O-N 3.25Å; D257-Y260 PolarHBondContact O-N 2.98Å; Y260-I262 VanDerWaalsContact C-N 3.32Å; Y260-I262 PolarHBondContact O-N 3.44Å; Y260-G263 WeakPolarHBondContact O-CA 3.37Å; Y260-G263 PolarHBondContact O-N 2.94Å; Y260-G263 VanDerWaalsContact O-N 3.07Å; Y260-Y264 WeakPolarHBondContact O-CD2 3.49Å; Y260-Y264 PolarHBondContact O-N 2.92Å; Y260-L282 HydrophobicContact CD1-CD1 3.7Å; Y260-L282 HydrophobicContact CE1-CD1 4.12Å; Y260-L282 HydrophobicContact CG-CD1 4.46Å
261A87.4Confident78.7Confident47 Ų4771.3 Ų71.339%0.38833%0.328SS..Hα-helixtrans-58.9-42.9176.200000112.2D257 R258 Y264 Y265D257-A261 PolarHBondContact O-N 3.02Å; R258-A261 PolarHBondContact O-N 3.14Å; A261-Y264 PolarHBondContact O-N 3.3Å; A261-Y265 WeakPolarHBondContact O-CB 3.47Å; A261-Y265 PolarHBondContact O-N 3.12Å
262I86Confident79.9Confident8 Ų871.6 Ų71.64%0.04133%0.328CS..Hα-helixtrans-58.6-47.3172.3-68.7164.5000110.4L192 N206 A207 I210 R258 N259 Y260 Y264 Y265 L266L192-I262 HydrophobicContact CD2-CB 4.25Å; L192-I262 HydrophobicContact CD2-CG1 3.41Å; L192-I262 VanDerWaalsContact CD2-CG1 3.41Å; L192-I262 HydrophobicContact CG-CG1 4.3Å; N206-I262 HydrophobicContact CB-CD1 4.17Å; A207-I262 HydrophobicContact CB-CG2 3.68Å; I210-I262 HydrophobicContact CD1-CB 4.5Å; I210-I262 HydrophobicContact CD1-CG2 3.99Å; R258-I262 HydrophobicContact CG-CD1 4.26Å; R258-I262 VanDerWaalsContact O-CG1 3.26Å; R258-I262 WeakPolarHBondContact O-CG1 3.44Å; R258-I262 PolarHBondContact O-N 3.36Å; N259-I262 PolarHBondContact O-N 2.91Å; Y260-I262 VanDerWaalsContact C-N 3.32Å; Y260-I262 PolarHBondContact O-N 3.44Å; I262-Y264 PolarHBondContact O-N 3.47Å; I262-Y265 PolarHBondContact O-N 3.2Å; I262-L266 HydrophobicContact CG2-CD1 3.67Å; I262-L266 HydrophobicContact CG2-CG 4.21Å; I262-L266 WeakPolarHBondContact O-CB 3.41Å; I262-L266 VanDerWaalsContact O-CG 3.24Å; I262-L266 WeakPolarHBondContact O-CG 3.46Å; I262-L266 PolarHBondContact O-N 2.94Å
263G86.3Confident81.2Confident0 Ų072.4 Ų72.40%034%0.335CS..Hα-helixtrans-60.2-45.2179.700000113.1N259 Y260 L266 K267N259-G263 PolarHBondContact O-N 3.42Å; Y260-G263 WeakPolarHBondContact O-CA 3.37Å; Y260-G263 PolarHBondContact O-N 2.94Å; Y260-G263 VanDerWaalsContact O-N 3.07Å; G263-L266 PolarHBondContact O-N 3.33Å; G263-K267 WeakPolarHBondContact O-CB 3.44Å; G263-K267 PolarHBondContact O-N 2.97Å
264Y86.9Confident81.8Confident132 Ų13273 Ų7352%0.51835%0.35SS..Hα-helixtrans-64.1-41.3175.5-75.8-68000112.3Y260 A261 I262 K267 E268 M278Y260-Y264 WeakPolarHBondContact O-CD2 3.49Å; Y260-Y264 PolarHBondContact O-N 2.92Å; A261-Y264 PolarHBondContact O-N 3.3Å; I262-Y264 PolarHBondContact O-N 3.47Å; Y264-K267 WeakPolarHBondContact O-CB 3.37Å; Y264-K267 PolarHBondContact O-N 3.24Å; Y264-E268 PolarHBondContact O-N 3.08Å; Y264-M278 HydrophobicContact CD1-CE 3.53Å; Y264-M278 HydrophobicContact CD2-CE 4.43Å; Y264-M278 HydrophobicContact CE1-CE 3.38Å; Y264-M278 HydrophobicContact CE2-CE 4.3Å; Y264-M278 HydrophobicContact CG-CE 4.06Å
265Y86.6Confident82.1Confident82 Ų8278.8 Ų78.832%0.32237%0.367SS..Hα-helixtrans-64.1-43.3177.7-173.9-118.7000112.4L194 A261 I262 K267 E268 K269L194-Y265 HydrophobicContact CD1-CD1 4.11Å; L194-Y265 HydrophobicContact CD1-CE1 3.46Å; L194-Y265 VanDerWaalsContact CD1-CE1 3.46Å; L194-Y265 HydrophobicContact CG-CD1 4.42Å; L194-Y265 HydrophobicContact CG-CE1 3.74Å; A261-Y265 WeakPolarHBondContact O-CB 3.47Å; A261-Y265 PolarHBondContact O-N 3.12Å; I262-Y265 PolarHBondContact O-N 3.2Å; Y265-K267 VanDerWaalsContact C-N 3.29Å; Y265-K267 PolarHBondContact O-N 3.32Å; Y265-E268 PolarHBondContact O-N 3.47Å; Y265-K269 PolarHBondContact O-N 3.48Å
266L86.4Confident82.3Confident1 Ų177.3 Ų77.31%0.00536%0.361CS..Hα-helixtrans-64.9-33.4174.7-69170.5000112.4L194 P200 A207 V211 I262 G263 K269 K270 C271 F272L194-L266 HydrophobicContact CD2-CD2 3.77Å; P200-L266 HydrophobicContact CG-CD2 3.89Å; A207-L266 HydrophobicContact CB-CD1 4.31Å; V211-L266 HydrophobicContact CG2-CD1 3.9Å; V211-L266 HydrophobicContact CG2-CD2 4.31Å; I262-L266 HydrophobicContact CG2-CD1 3.67Å; I262-L266 HydrophobicContact CG2-CG 4.21Å; I262-L266 WeakPolarHBondContact O-CB 3.41Å; I262-L266 VanDerWaalsContact O-CG 3.24Å; I262-L266 WeakPolarHBondContact O-CG 3.46Å; I262-L266 PolarHBondContact O-N 2.94Å; G263-L266 PolarHBondContact O-N 3.33Å; L266-K269 PolarHBondContact O-N 3.01Å; L266-K270 PolarHBondContact O-N 3.08Å; L266-K270 VanDerWaalsContact O-N 3.16Å; L266-C271 HydrophobicContact CB-CB 4.25Å; L266-C271 HydrophobicContact CD2-CB 3.9Å; L266-C271 PolarHBondContact O-N 3.34Å; L266-F272 HydrophobicContact CB-CD2 4.3Å; L266-F272 HydrophobicContact CB-CE2 3.52Å; L266-F272 HydrophobicContact CB-CZ 3.83Å; L266-F272 HydrophobicContact CD1-CZ 4.13Å
267K86.5Confident82.7Confident119 Ų11981.3 Ų81.352%0.51738%0.382SS..Hα-helixtrans-68.2-43.2176.7-175.2177.9179.7177.90111.6G263 Y264 Y265 K269 K270 F272 M278G263-K267 WeakPolarHBondContact O-CB 3.44Å; G263-K267 PolarHBondContact O-N 2.97Å; Y264-K267 WeakPolarHBondContact O-CB 3.37Å; Y264-K267 PolarHBondContact O-N 3.24Å; Y265-K267 VanDerWaalsContact C-N 3.29Å; Y265-K267 PolarHBondContact O-N 3.32Å; K267-K269 VanDerWaalsContact C-N 3.28Å; K267-K269 PolarHBondContact O-N 3.23Å; K267-K270 PolarHBondContact O-N 3.13Å; K267-F272 HydrophobicContact CB-CD2 4.28Å; K267-F272 HydrophobicContact CB-CE2 4.16Å; K267-M278 HydrophobicContact CB-CG 4.44Å; K267-M278 HydrophobicContact CD-CB 4.17Å; K267-M278 HydrophobicContact CD-CE 4.09Å
268E86.8Confident82.9Confident151 Ų15175.8 Ų75.871%0.70635%0.352SS*.Hα-helixtrans-58.9-42.5175.1-175-178-177.300111.4Y264 Y265 K270Y264-E268 PolarHBondContact O-N 3.08Å; Y265-E268 PolarHBondContact O-N 3.47Å; E268-K270 VanDerWaalsContact C-N 3.27Å; E268-K270 PolarHBondContact O-N 3.29Å
269K85.1Confident83Confident77 Ų7775.3 Ų75.334%0.33536%0.355SS..THydrogen-bonded Turntrans-80.81.8179.8-69.8-67.2-167.1149.20115.2L194 D198 Y265 L266 K267 C271L194-K269 HydrophobicContact CD1-CB 4.27Å; L194-K269 HydrophobicContact CD1-CG 3.92Å; D198-K269 HydrophobicContact CB-CD 4.49Å; D198-K269 VanDerWaalsContact CG-NZ 3.25Å; D198-K269 IonicContact OD1-NZ 2.81Å; D198-K269 PolarHBondContact OD1-NZ 2.61Å; D198-K269 IonicContact OD2-NZ 2.99Å; D198-K269 PolarHBondContact OD2-NZ 3.38Å; Y265-K269 PolarHBondContact O-N 3.48Å; L266-K269 PolarHBondContact O-N 3.01Å; K267-K269 VanDerWaalsContact C-N 3.28Å; K267-K269 PolarHBondContact O-N 3.23Å; K269-C271 PolarHBondContact O-N 3.02Å
270K84.6Confident82.9Confident184 Ų18474.5 Ų74.580%0.835%0.353SS*.THydrogen-bonded Turntrans54.437-179.1-56.4-179179.8179.10113.4L266 K267 E268 F272L266-K270 PolarHBondContact O-N 3.08Å; L266-K270 VanDerWaalsContact O-N 3.16Å; K267-K270 PolarHBondContact O-N 3.13Å; E268-K270 VanDerWaalsContact C-N 3.27Å; E268-K270 PolarHBondContact O-N 3.29Å; K270-F272 PolarHBondContact O-N 3.4Å
271C83.1Confident82.8Confident10 Ų1071.8 Ų71.87%0.06834%0.342CS..  trans-74.2-10.8176.7-51.40000112.8F179 D198 V211 L266 K269F179-C271 WeakPolarHBondContact CD1-O 3.37Å; D198-C271 PolarHBondContact O-SG 2.77Å; V211-C271 HydrophobicContact CG2-CB 4.41Å; L266-C271 HydrophobicContact CB-CB 4.25Å; L266-C271 HydrophobicContact CD2-CB 3.9Å; L266-C271 PolarHBondContact O-N 3.34Å; K269-C271 PolarHBondContact O-N 3.02Å
272F83.4Confident82.7Confident19 Ų1969.5 Ų69.58%0.08332%0.323CS..SBendtrans-91153.2178.4-64.9-70000111.8I210 V211 L266 K267 K270 A276 M278I210-F272 HydrophobicContact CG2-CE1 4.04Å; I210-F272 HydrophobicContact CG2-CZ 4.04Å; V211-F272 HydrophobicContact CG2-CE1 4.33Å; L266-F272 HydrophobicContact CB-CD2 4.3Å; L266-F272 HydrophobicContact CB-CE2 3.52Å; L266-F272 HydrophobicContact CB-CZ 3.83Å; L266-F272 HydrophobicContact CD1-CZ 4.13Å; K267-F272 HydrophobicContact CB-CD2 4.28Å; K267-F272 HydrophobicContact CB-CE2 4.16Å; K270-F272 PolarHBondContact O-N 3.4Å; F272-A276 HydrophobicContact CB-CB 4.19Å; F272-M278 HydrophobicContact CE2-CB 4.2Å; F272-M278 HydrophobicContact CE2-CG 3.83Å; F272-M278 HydrophobicContact CZ-CG 4.02Å
273P81.6Confident82.7Confident36 Ų3670.2 Ų70.223%0.23433%0.327CS..  trans-58.2151171.7-21.431.4000112.8F179 S214 L215 R275 A276F179-P273 HydrophobicContact CE1-CG 4.25Å; F179-P273 HydrophobicContact CZ-CG 4.33Å; S214-P273 VanDerWaalsContact OG-CD 3.3Å; S214-P273 WeakPolarHBondContact OG-CD 3.19Å; L215-P273 HydrophobicContact CD2-CG 3.67Å; P273-R275 PolarHBondContact O-N 2.71Å; P273-A276 HydrophobicContact CB-CB 4.4Å; P273-A276 HydrophobicContact CG-CB 4.43Å; P273-A276 PolarHBondContact O-N 3.3Å
274D71.1Confident82.7Confident175 Ų17570.5 Ų70.594%0.93633%0.328SS*.THydrogen-bonded Turntrans-57.2-3.1-171.8-65.2-42.2000116.8
275R68.3Low82.7Confident248 Ų24864.6 Ų64.694%0.93631%0.305SS*.THydrogen-bonded Turntrans-135.211.9178.3-64.1-173-178.7-172.50.1114.2P273P273-R275 PolarHBondContact O-N 2.71Å
276A72.4Confident82.7Confident39 Ų3960.9 Ų60.932%0.32229%0.291SS..  trans-83131.9-175.800000111.9F272 P273F272-A276 HydrophobicContact CB-CB 4.19Å; P273-A276 HydrophobicContact CB-CB 4.4Å; P273-A276 HydrophobicContact CG-CB 4.43Å; P273-A276 PolarHBondContact O-N 3.3Å
277D81.3Confident82.8Confident89 Ų8962.5 Ų62.548%0.47630%0.298SS..  trans-80.3119.1165.9176.728.7000109.7I279 G280 A281D277-I279 VanDerWaalsContact C-N 3.34Å; D277-I279 PolarHBondContact O-N 3.41Å; D277-I279 PolarHBondContact OD1-N 3.27Å; D277-G280 PolarHBondContact OD2-N 3.48Å; D277-A281 WeakPolarHBondContact O-CB 3.47Å; D277-A281 PolarHBondContact O-N 3.27Å
278M83.9Confident82.9Confident4 Ų456.8 Ų56.82%0.0227%0.274CS..Hα-helixtrans-63.8-39.7179.7175.8-87.2-7000111.7Y264 K267 F272 A281 L282Y264-M278 HydrophobicContact CD1-CE 3.53Å; Y264-M278 HydrophobicContact CD2-CE 4.43Å; Y264-M278 HydrophobicContact CE1-CE 3.38Å; Y264-M278 HydrophobicContact CE2-CE 4.3Å; Y264-M278 HydrophobicContact CG-CE 4.06Å; K267-M278 HydrophobicContact CB-CG 4.44Å; K267-M278 HydrophobicContact CD-CB 4.17Å; K267-M278 HydrophobicContact CD-CE 4.09Å; F272-M278 HydrophobicContact CE2-CB 4.2Å; F272-M278 HydrophobicContact CE2-CG 3.83Å; F272-M278 HydrophobicContact CZ-CG 4.02Å; M278-A281 PolarHBondContact O-N 3.43Å; M278-L282 PolarHBondContact O-N 3.47Å; M278-L282 HydrophobicContact SD-CD1 3.46Å; M278-L282 WeakPolarHBondContact SD-CD1 3.38Å; M278-L282 HydrophobicContact SD-CG 4.25Å
279I84.2Confident82.9Confident79 Ų7949.9 Ų49.941%0.40524%0.242SC..Hα-helixtrans-68.4-48.3-179-61.8173.4000109D277 A281 L282 D283D277-I279 VanDerWaalsContact C-N 3.34Å; D277-I279 PolarHBondContact O-N 3.41Å; D277-I279 PolarHBondContact OD1-N 3.27Å; I279-A281 VanDerWaalsContact C-N 3.26Å; I279-A281 PolarHBondContact O-N 3.25Å; I279-L282 PolarHBondContact O-N 3.28Å; I279-L282 VanDerWaalsContact O-N 3.1Å; I279-D283 PolarHBondContact O-N 2.91Å
280G82.6Confident83.1Confident6 Ų646.2 Ų46.26%0.06223%0.226CC..Hα-helixtrans-58.3-32.417400000114.8D277 F284D277-G280 PolarHBondContact OD2-N 3.48Å; G280-F284 WeakPolarHBondContact O-CB 3.34Å; G280-F284 PolarHBondContact O-N 3.5Å; G280-F284 VanDerWaalsContact O-N 3.15Å
281A84.3Confident83.3Confident1 Ų137.4 Ų37.41%0.00819%0.188CC..Hα-helixtrans-71.8-38.6174.400000112.5D277 M278 I279 F284 Y285D277-A281 WeakPolarHBondContact O-CB 3.47Å; D277-A281 PolarHBondContact O-N 3.27Å; M278-A281 PolarHBondContact O-N 3.43Å; I279-A281 VanDerWaalsContact C-N 3.26Å; I279-A281 PolarHBondContact O-N 3.25Å; A281-F284 PolarHBondContact O-N 3.34Å; A281-Y285 WeakPolarHBondContact O-CB 3.48Å; A281-Y285 PolarHBondContact O-N 2.98Å
282L85.5Confident83.7Confident0 Ų038.7 Ų38.70%019%0.192CC..Hα-helixtrans-65.4-48.3173.8-76.8174.1000111.7I210 N259 Y260 M278 I279 F284 Y285 F286I210-L282 HydrophobicContact CD1-CD2 3.61Å; I210-L282 HydrophobicContact CG1-CD2 3.91Å; I210-L282 HydrophobicContact CG2-CD2 3.87Å; I210-L282 HydrophobicContact CG2-CG 4.42Å; N259-L282 HydrophobicContact CB-CD2 4.37Å; Y260-L282 HydrophobicContact CD1-CD1 3.7Å; Y260-L282 HydrophobicContact CE1-CD1 4.12Å; Y260-L282 HydrophobicContact CG-CD1 4.46Å; M278-L282 PolarHBondContact O-N 3.47Å; M278-L282 HydrophobicContact SD-CD1 3.46Å; M278-L282 WeakPolarHBondContact SD-CD1 3.38Å; M278-L282 HydrophobicContact SD-CG 4.25Å; I279-L282 PolarHBondContact O-N 3.28Å; I279-L282 VanDerWaalsContact O-N 3.1Å; L282-F284 PolarHBondContact O-N 3.02Å; L282-Y285 WeakPolarHBondContact O-CB 3.33Å; L282-Y285 PolarHBondContact O-N 3.19Å; L282-Y285 VanDerWaalsContact O-N 3.12Å; L282-F286 HydrophobicContact CB-CE2 4.26Å; L282-F286 WeakPolarHBondContact O-CD2 3.43Å; L282-F286 PolarHBondContact O-N 3.06Å
283D85.8Confident84.2Confident22 Ų2237.8 Ų37.812%0.11819%0.188CC..Hα-helixtrans-53.2-47.6176.2-60.5-9.8000109.7K221 I279 Y285 F286 Q287K221-D283 IonicContact NZ-OD2 2.75Å; K221-D283 PolarHBondContact NZ-OD2 3.28Å; I279-D283 PolarHBondContact O-N 2.91Å; D283-Y285 PolarHBondContact O-N 3.04Å; D283-F286 PolarHBondContact O-N 3.41Å; D283-Q287 WeakPolarHBondContact O-CG 3.29Å; D283-Q287 PolarHBondContact O-N 3.26Å
284F86.5Confident84.9Confident6 Ų636.6 Ų36.63%0.02618%0.181CC..Hα-helixtrans-63-44178.9-173-116.4000112.5I216 R224 F225 V228 G280 A281 L282 F286 Q287 L288I216-F284 HydrophobicContact CD1-CE1 4.42Å; R224-F284 HydrophobicContact CB-CD2 4.32Å; R224-F284 HydrophobicContact CB-CE2 3.75Å; R224-F284 HydrophobicContact CB-CZ 4.06Å; F225-F284 HydrophobicContact CB-CE2 4.3Å; V228-F284 HydrophobicContact CG2-CZ 3.81Å; G280-F284 WeakPolarHBondContact O-CB 3.34Å; G280-F284 PolarHBondContact O-N 3.5Å; G280-F284 VanDerWaalsContact O-N 3.15Å; A281-F284 PolarHBondContact O-N 3.34Å; L282-F284 PolarHBondContact O-N 3.02Å; F284-F286 VanDerWaalsContact C-N 3.3Å; F284-F286 PolarHBondContact O-N 3.17Å; F284-Q287 WeakPolarHBondContact O-CB 3.35Å; F284-Q287 PolarHBondContact O-N 2.74Å; F284-Q287 VanDerWaalsContact O-N 3.14Å; F284-L288 HydrophobicContact CD1-CD1 4.11Å; F284-L288 HydrophobicContact CD1-CG 4.43Å; F284-L288 HydrophobicContact CE1-CD1 3.68Å; F284-L288 HydrophobicContact CE1-CD2 4.48Å; F284-L288 HydrophobicContact CE1-CG 4.17Å; F284-L288 HydrophobicContact CE2-CD2 4.26Å; F284-L288 HydrophobicContact CE2-CG 4.47Å; F284-L288 HydrophobicContact CZ-CD1 4.07Å; F284-L288 HydrophobicContact CZ-CD2 4.04Å; F284-L288 HydrophobicContact CZ-CG 4.19Å; F284-L288 WeakPolarHBondContact O-CG 3.49Å; F284-L288 PolarHBondContact O-N 3.29Å
285Y87.8Confident86Confident8 Ų828.3 Ų28.33%0.03114%0.136CC..Hα-helixtrans-57-43.1174.7168.9-100.5000112.1K160 A209 I210 A281 L282 D283 L288 C289K160-Y285 WeakPolarHBondContact CE-OH 3.49Å; A209-Y285 HydrophobicContact CB-CD2 3.95Å; A209-Y285 HydrophobicContact CB-CE2 3.54Å; I210-Y285 HydrophobicContact CG1-CD1 4Å; I210-Y285 HydrophobicContact CG1-CD2 4.16Å; I210-Y285 HydrophobicContact CG1-CE1 4.38Å; I210-Y285 HydrophobicContact CG1-CG 3.87Å; A281-Y285 WeakPolarHBondContact O-CB 3.48Å; A281-Y285 PolarHBondContact O-N 2.98Å; L282-Y285 WeakPolarHBondContact O-CB 3.33Å; L282-Y285 PolarHBondContact O-N 3.19Å; L282-Y285 VanDerWaalsContact O-N 3.12Å; D283-Y285 PolarHBondContact O-N 3.04Å; Y285-L288 PolarHBondContact O-N 3.3Å; Y285-C289 VanDerWaalsContact CZ-SG 3.55Å; Y285-C289 PolarHBondContact O-N 2.97Å; Y285-C289 PolarHBondContact O-SG 3.34Å
286F86.2Confident87.2Confident4 Ų418.1 Ų18.12%0.01810%0.099CC..Hα-helixtrans-66.2-37.2176.6-69-59.5000112.5Y248 S251 E252 N259 L282 D283 F284 C289 S290Y248-F286 HydrophobicContact CD2-CB 3.89Å; Y248-F286 HydrophobicContact CE2-CB 3.73Å; S251-F286 VanDerWaalsContact O-CE1 3.31Å; S251-F286 WeakPolarHBondContact O-CE1 3.47Å; E252-F286 HydrophobicContact CB-CB 4.18Å; E252-F286 HydrophobicContact CB-CD2 3.94Å; E252-F286 HydrophobicContact CB-CE2 4.47Å; E252-F286 HydrophobicContact CB-CG 4.07Å; E252-F286 HydrophobicContact CG-CD2 3.75Å; E252-F286 HydrophobicContact CG-CE2 4.24Å; E252-F286 HydrophobicContact CG-CG 4.34Å; N259-F286 HydrophobicContact CB-CE1 4.26Å; N259-F286 HydrophobicContact CB-CZ 3.8Å; N259-F286 WeakPolarHBondContact ND2-CE1 3.39Å; L282-F286 HydrophobicContact CB-CE2 4.26Å; L282-F286 WeakPolarHBondContact O-CD2 3.43Å; L282-F286 PolarHBondContact O-N 3.06Å; D283-F286 PolarHBondContact O-N 3.41Å; F284-F286 VanDerWaalsContact C-N 3.3Å; F284-F286 PolarHBondContact O-N 3.17Å; F286-C289 PolarHBondContact O-N 3.41Å; F286-S290 WeakPolarHBondContact O-CB 3.25Å; F286-S290 PolarHBondContact O-N 3.35Å; F286-S290 PolarHBondContact O-OG 3.41Å
287Q87.4Confident88.1Confident35 Ų3516.3 Ų16.316%0.1648%0.084CC..Hα-helixtrans-60-47.8173.2-68.5173.4-3.800110.4F225 F243 Y248 D283 F284 C289 S290F225-Q287 HydrophobicContact CD2-CB 3.92Å; F225-Q287 HydrophobicContact CE2-CB 4.03Å; F243-Q287 HydrophobicContact CE2-CB 4.22Å; F243-Q287 WeakPolarHBondContact CE2-O 3.47Å; F243-Q287 HydrophobicContact CZ-CB 4.4Å; F243-Q287 HydrophobicContact CZ-CG 4.3Å; Y248-Q287 HydrophobicContact CD2-CB 4.38Å; Y248-Q287 HydrophobicContact CD2-CG 3.78Å; Y248-Q287 HydrophobicContact CE1-CG 4.28Å; Y248-Q287 HydrophobicContact CE2-CB 4.19Å; Y248-Q287 HydrophobicContact CE2-CG 3.25Å; Y248-Q287 HydrophobicContact CG-CG 4.49Å; Y248-Q287 PolarHBondContact OH-NE2 2.96Å; D283-Q287 WeakPolarHBondContact O-CG 3.29Å; D283-Q287 PolarHBondContact O-N 3.26Å; F284-Q287 WeakPolarHBondContact O-CB 3.35Å; F284-Q287 PolarHBondContact O-N 2.74Å; F284-Q287 VanDerWaalsContact O-N 3.14Å; Q287-C289 VanDerWaalsContact C-N 3.34Å; Q287-C289 PolarHBondContact O-N 2.92Å; Q287-S290 PolarHBondContact O-N 2.85Å; Q287-S290 VanDerWaalsContact O-N 3.08Å
288L88.3Confident88.7Confident0 Ų012 Ų120%06%0.061CC..Hα-helixtrans-62-40179.1-65-173.6000112.7V159 E163 V228 F284 Y285 S290 I291V159-L288 HydrophobicContact CG1-CB 4.14Å; V159-L288 HydrophobicContact CG2-CB 4.21Å; E163-L288 HydrophobicContact CB-CD1 4.45Å; E163-L288 HydrophobicContact CG-CD1 3.8Å; V228-L288 HydrophobicContact CB-CD2 4.04Å; V228-L288 HydrophobicContact CG1-CD2 3.6Å; V228-L288 HydrophobicContact CG2-CD2 4.36Å; F284-L288 HydrophobicContact CD1-CD1 4.11Å; F284-L288 HydrophobicContact CD1-CG 4.43Å; F284-L288 HydrophobicContact CE1-CD1 3.68Å; F284-L288 HydrophobicContact CE1-CD2 4.48Å; F284-L288 HydrophobicContact CE1-CG 4.17Å; F284-L288 HydrophobicContact CE2-CD2 4.26Å; F284-L288 HydrophobicContact CE2-CG 4.47Å; F284-L288 HydrophobicContact CZ-CD1 4.07Å; F284-L288 HydrophobicContact CZ-CD2 4.04Å; F284-L288 HydrophobicContact CZ-CG 4.19Å; F284-L288 WeakPolarHBondContact O-CG 3.49Å; F284-L288 PolarHBondContact O-N 3.29Å; Y285-L288 PolarHBondContact O-N 3.3Å; L288-S290 PolarHBondContact O-N 3.04Å; L288-I291 HydrophobicContact CD2-CD1 3.87Å; L288-I291 WeakPolarHBondContact O-CG1 3.48Å; L288-I291 PolarHBondContact O-N 3.42Å
289C87.7Confident89.3Confident5 Ų511.9 Ų11.93%0.0346%0.061CC..Hα-helixtrans-65.8-22.7176.9-66.70000113.3Q156 Y285 F286 Q287Q156-C289 VanDerWaalsContact CA-O 3.25Å; Q156-C289 WeakPolarHBondContact CA-O 3.39Å; Q156-C289 PolarHBondContact N-O 2.85Å; Y285-C289 VanDerWaalsContact CZ-SG 3.55Å; Y285-C289 PolarHBondContact O-N 2.97Å; Y285-C289 PolarHBondContact O-SG 3.34Å; F286-C289 PolarHBondContact O-N 3.41Å; Q287-C289 VanDerWaalsContact C-N 3.34Å; Q287-C289 PolarHBondContact O-N 2.92Å
290S88.4Confident89.8Confident0 Ų08.1 Ų8.10%04%0.042CC..THydrogen-bonded Turntrans-95.57.7-175.9-54.60000113.7S244 Y248 F286 Q287 L288S244-S290 PolarHBondContact N-O 2.98Å; Y248-S290 WeakPolarHBondContact CA-OG 3.34Å; Y248-S290 PolarHBondContact N-OG 3.47Å; F286-S290 WeakPolarHBondContact O-CB 3.25Å; F286-S290 PolarHBondContact O-N 3.35Å; F286-S290 PolarHBondContact O-OG 3.41Å; Q287-S290 PolarHBondContact O-N 2.85Å; Q287-S290 VanDerWaalsContact O-N 3.08Å; L288-S290 PolarHBondContact O-N 3.04Å
291I90.2Very high90.4Very high0 Ų07.9 Ų7.90%04%0.039CC..EExtended strand (participates in β ladder)trans-67.4134.3173.5-65.2176.3000109.7C154 L155 F225 M229 L232 V241 F243 L288C154-I291 CarbonylContact C-O 3.59Å; C154-I291 WeakPolarHBondContact CA-O 3.2Å; L155-I291 HydrophobicContact CD1-CG2 4.26Å; L155-I291 PolarHBondContact N-O 3.23Å; F225-I291 HydrophobicContact CE2-CD1 4.26Å; F225-I291 HydrophobicContact CE2-CG1 4.17Å; F225-I291 HydrophobicContact CZ-CG1 4.44Å; M229-I291 HydrophobicContact SD-CD1 3.97Å; M229-I291 HydrophobicContact SD-CG1 4.21Å; M229-I291 HydrophobicContact SD-CG2 4.27Å; L232-I291 HydrophobicContact CD1-CD1 3.44Å; L232-I291 VanDerWaalsContact CD1-CD1 3.44Å; L232-I291 HydrophobicContact CD1-CG2 3.99Å; V241-I291 HydrophobicContact CG1-CG2 3.84Å; F243-I291 HydrophobicContact CD2-CG1 4.45Å; L288-I291 HydrophobicContact CD2-CD1 3.87Å; L288-I291 WeakPolarHBondContact O-CG1 3.48Å; L288-I291 PolarHBondContact O-N 3.42Å
292E91.9Very high90.9Very high36 Ų367.9 Ų7.917%0.1684%0.038CC..EExtended strand (participates in β ladder)trans-100.8135.1-178.6-66.5175.3148.300110.9F153 Y240 G242 S244F153-E292 CarbonylContact O-C 3.53Å; F153-E292 VanDerWaalsContact O-CA 3.3Å; F153-E292 WeakPolarHBondContact O-CA 3.37Å; Y240-E292 HydrophobicContact CE1-CB 4.27Å; G242-E292 PolarHBondContact N-O 3.07Å; G242-E292 PolarHBondContact O-N 2.98Å; S244-E292 VanDerWaalsContact CB-CD 3.42Å; S244-E292 WeakPolarHBondContact CB-OE1 3.3Å; S244-E292 PolarHBondContact OG-OE1 2.97Å
293V93.7Very high91.4Very high0 Ų07.9 Ų7.90%04%0.038CC..EExtended strand (participates in β ladder)trans-136.3165.6174-59.70000110.1P152 F153 L155 M301P152-V293 WeakPolarHBondContact CA-O 3.45Å; F153-V293 HydrophobicContact CE2-CG2 3.99Å; F153-V293 HydrophobicContact CZ-CG2 4.07Å; F153-V293 PolarHBondContact N-O 2.6Å; F153-V293 PolarHBondContact O-N 3.35Å; L155-V293 HydrophobicContact CD1-CG1 3.65Å; L155-V293 HydrophobicContact CD1-CG2 4.4Å; L155-V293 HydrophobicContact CD2-CB 4.42Å; L155-V293 HydrophobicContact CD2-CG1 4.2Å; L155-V293 HydrophobicContact CD2-CG2 3.4Å; L155-V293 VanDerWaalsContact CD2-CG2 3.4Å; L155-V293 HydrophobicContact CG-CB 4.25Å; L155-V293 HydrophobicContact CG-CG1 3.71Å; L155-V293 HydrophobicContact CG-CG2 3.57Å; V293-M301 HydrophobicContact CG1-CE 3.93Å
294T94.8Very high91.9Very high12 Ų126.8 Ų6.87%0.0743%0.033CC..  trans-101.2168.3167.659.40000110.2T149 Y240 E296 S297 G298T149-T294 WeakPolarHBondContact O-CB 3.28Å; Y240-T294 HydrophobicContact CD1-CG2 3.89Å; Y240-T294 HydrophobicContact CG-CG2 4.43Å; T294-E296 PolarHBondContact O-N 3.3Å; T294-S297 PolarHBondContact N-OG 3.04Å; T294-S297 PolarHBondContact O-N 3.25Å; T294-S297 PolarHBondContact O-OG 2.99Å; T294-S297 PolarHBondContact OG1-N 3.43Å; T294-S297 PolarHBondContact OG1-OG 3.25Å; T294-G298 PolarHBondContact O-N 3.2Å; T294-G298 VanDerWaalsContact O-N 3.07Å
295C94.1Very high92.3Very high0 Ų06.5 Ų6.50%03%0.032CC..Hα-helixtrans-58.1-39.5172.7-63.90000111.8S135 T149 S299 L370 W372S135-C295 VanDerWaalsContact CB-C 3.41Å; S135-C295 VanDerWaalsContact CB-O 3.22Å; S135-C295 WeakPolarHBondContact CB-O 3.43Å; S135-C295 WeakPolarHBondContact OG-CB 3.38Å; T149-C295 HydrophobicContact CG2-CB 3.95Å; T149-C295 WeakPolarHBondContact O-CB 3.34Å; T149-C295 PolarHBondContact O-N 3.43Å; C295-S299 WeakPolarHBondContact O-CB 3.38Å; C295-S299 PolarHBondContact O-N 3.4Å; C295-L370 HydrophobicContact CB-CD2 4.46Å; C295-W372 VanDerWaalsContact SG-CB 3.58Å
296E93.4Very high92.7Very high35 Ų356.2 Ų6.216%0.1643%0.031CC..Hα-helixtrans-68.3-37.8-177.1-49.9-162.112600113S135 S145 T294 S299 V300S135-E296 PolarHBondContact OG-N 2.93Å; S145-E296 WeakPolarHBondContact CB-OE1 3.16Å; S145-E296 PolarHBondContact OG-OE1 3.42Å; T294-E296 PolarHBondContact O-N 3.3Å; E296-S299 PolarHBondContact O-OG 2.89Å; E296-V300 WeakPolarHBondContact O-CG2 3.41Å
297S93.3Very high93.1Very high0 Ų08 Ų80%04%0.041CC..Hα-helixtrans-74.1-42.8177.544.80000111.2Y240 T294 S299 V300 M301Y240-S297 WeakPolarHBondContact O-CB 3.42Å; Y240-S297 PolarHBondContact O-OG 2.8Å; T294-S297 PolarHBondContact N-OG 3.04Å; T294-S297 PolarHBondContact O-N 3.25Å; T294-S297 PolarHBondContact O-OG 2.99Å; T294-S297 PolarHBondContact OG1-N 3.43Å; T294-S297 PolarHBondContact OG1-OG 3.25Å; S297-S299 VanDerWaalsContact C-N 3.32Å; S297-S299 PolarHBondContact O-N 3.49Å; S297-V300 PolarHBondContact O-N 3.24Å; S297-M301 WeakPolarHBondContact O-CG 3.44Å; S297-M301 PolarHBondContact O-N 3.42Å
298G93.3Very high93.3Very high0 Ų07.7 Ų7.70%05%0.046CC..Hα-helixtrans-66.2-30.9177.700000113.5T294 M301 A302 L360T294-G298 PolarHBondContact O-N 3.2Å; T294-G298 VanDerWaalsContact O-N 3.07Å; G298-M301 PolarHBondContact O-N 3.25Å; G298-A302 PolarHBondContact O-N 2.92Å; G298-L360 WeakPolarHBondContact O-CD1 3.1Å
299S95.5Very high93.4Very high1 Ų17.7 Ų7.71%0.0075%0.046CC..Hα-helixtrans-67.3-36.1174.1740000112.2S135 C295 E296 S297 A302 A303S135-S299 VanDerWaalsContact O-CB 3.31Å; S135-S299 WeakPolarHBondContact O-CB 3.37Å; C295-S299 WeakPolarHBondContact O-CB 3.38Å; C295-S299 PolarHBondContact O-N 3.4Å; E296-S299 PolarHBondContact O-OG 2.89Å; S297-S299 VanDerWaalsContact C-N 3.32Å; S297-S299 PolarHBondContact O-N 3.49Å; S299-A302 PolarHBondContact O-N 2.89Å; S299-A303 VanDerWaalsContact O-CB 3.31Å; S299-A303 WeakPolarHBondContact O-CB 3.36Å; S299-A303 PolarHBondContact O-N 3.19Å
300V95.2Very high93.7Very high0 Ų09.8 Ų9.80%06%0.057CC..Hα-helixtrans-69.2-38.2174.3-178.80000111.2C137 A236 E296 S297 A303 T304 P312 T313C137-V300 HydrophobicContact CB-CG2 4.22Å; A236-V300 WeakPolarHBondContact O-CG1 3.31Å; E296-V300 WeakPolarHBondContact O-CG2 3.41Å; S297-V300 PolarHBondContact O-N 3.24Å; V300-A303 PolarHBondContact O-N 3.46Å; V300-T304 PolarHBondContact O-N 3.23Å; V300-T304 PolarHBondContact O-OG1 3.06Å; V300-P312 HydrophobicContact CG1-CG 4.29Å; V300-T313 HydrophobicContact CG1-CG2 4.34Å
301M95.2Very high94Very high1 Ų19.8 Ų9.81%0.0056%0.057CC..Hα-helixtrans-61.4-46.3172.3-65.6179.4-175.400111.3L162 L232 M235 A236 V241 V293 S297 G298 A303 T304 L305L162-M301 HydrophobicContact CD1-SD 3.92Å; L232-M301 HydrophobicContact CB-CE 4.13Å; M235-M301 HydrophobicContact CB-CG 4.21Å; A236-M301 HydrophobicContact CB-CE 3.74Å; A236-M301 HydrophobicContact CB-CG 4.03Å; V241-M301 HydrophobicContact CG2-CE 3.71Å; V293-M301 HydrophobicContact CG1-CE 3.93Å; S297-M301 WeakPolarHBondContact O-CG 3.44Å; S297-M301 PolarHBondContact O-N 3.42Å; G298-M301 PolarHBondContact O-N 3.25Å; M301-A303 VanDerWaalsContact C-N 3.29Å; M301-A303 PolarHBondContact O-N 2.87Å; M301-T304 WeakPolarHBondContact O-CB 3.36Å; M301-T304 PolarHBondContact O-N 2.79Å; M301-L305 PolarHBondContact O-N 3.39Å
302A95.8Very high93.9Very high0 Ų010 Ų100%06%0.058CC..Hα-helixtrans-59.6-40.5174.100000111.9G298 S299 T304 L305 A306 L360 V362G298-A302 PolarHBondContact O-N 2.92Å; S299-A302 PolarHBondContact O-N 2.89Å; A302-T304 VanDerWaalsContact C-N 3.32Å; A302-T304 PolarHBondContact O-N 3.45Å; A302-L305 WeakPolarHBondContact O-CB 3.47Å; A302-L305 PolarHBondContact O-N 3.47Å; A302-A306 PolarHBondContact O-N 3.27Å; A302-L360 HydrophobicContact CB-CD1 3.69Å; A302-L360 HydrophobicContact CB-CG 4.26Å; A302-V362 HydrophobicContact CB-CG2 4.13Å
303A95.8Very high93.8Very high0 Ų08.3 Ų8.30%05%0.05CC..Hα-helixtrans-70.6-30.4-179.600000112.1C137 S299 V300 M301 L305 A306 N307 P312C137-A303 HydrophobicContact CB-CB 3.77Å; C137-A303 VanDerWaalsContact O-CB 3.27Å; C137-A303 WeakPolarHBondContact O-CB 3.1Å; S299-A303 VanDerWaalsContact O-CB 3.31Å; S299-A303 WeakPolarHBondContact O-CB 3.36Å; S299-A303 PolarHBondContact O-N 3.19Å; V300-A303 PolarHBondContact O-N 3.46Å; M301-A303 VanDerWaalsContact C-N 3.29Å; M301-A303 PolarHBondContact O-N 2.87Å; A303-L305 VanDerWaalsContact C-N 3.31Å; A303-L305 PolarHBondContact O-N 3.03Å; A303-A306 WeakPolarHBondContact O-CB 3.44Å; A303-A306 PolarHBondContact O-N 2.86Å; A303-A306 VanDerWaalsContact O-N 3.16Å; A303-N307 WeakPolarHBondContact O-CB 3.49Å; A303-N307 PolarHBondContact O-N 2.98Å; A303-P312 HydrophobicContact CB-CG 3.81Å
304T95.6Very high93.4Very high0 Ų010 Ų100%06%0.061CC..Hα-helixtrans-62.5-39.7170.7-60.70000111.3M235 V300 M301 A302 N307 G309 P312M235-T304 HydrophobicContact CB-CG2 4.39Å; M235-T304 HydrophobicContact CG-CG2 4.13Å; M235-T304 PolarHBondContact O-OG1 3.31Å; V300-T304 PolarHBondContact O-N 3.23Å; V300-T304 PolarHBondContact O-OG1 3.06Å; M301-T304 WeakPolarHBondContact O-CB 3.36Å; M301-T304 PolarHBondContact O-N 2.79Å; A302-T304 VanDerWaalsContact C-N 3.32Å; A302-T304 PolarHBondContact O-N 3.45Å; T304-N307 PolarHBondContact O-N 3.11Å; T304-G309 WeakPolarHBondContact O-CA 3.43Å; T304-G309 PolarHBondContact O-N 3.49Å; T304-P312 WeakPolarHBondContact OG1-CD 3.4Å
305L95.5Very high93Very high0 Ų011.8 Ų11.80%08%0.081CC..Hα-helixtrans-67.9-39.2170.9-61.7175000111.5L162 M301 A302 A303 N307 G308 L319 V324 L328 M331 V362L162-L305 HydrophobicContact CD2-CD1 4.07Å; M301-L305 PolarHBondContact O-N 3.39Å; A302-L305 WeakPolarHBondContact O-CB 3.47Å; A302-L305 PolarHBondContact O-N 3.47Å; A303-L305 VanDerWaalsContact C-N 3.31Å; A303-L305 PolarHBondContact O-N 3.03Å; L305-N307 PolarHBondContact O-N 2.87Å; L305-G308 PolarHBondContact O-N 3.48Å; L305-L319 HydrophobicContact CD2-CD1 3.9Å; L305-V324 HydrophobicContact CB-CG1 4.46Å; L305-V324 HydrophobicContact CD2-CG1 4.44Å; L305-V324 HydrophobicContact CD2-CG2 4.32Å; L305-V324 WeakPolarHBondContact O-CG1 3.37Å; L305-L328 HydrophobicContact CB-CD2 4.29Å; L305-M331 HydrophobicContact CD1-SD 4.3Å; L305-V362 HydrophobicContact CB-CG1 4.35Å; L305-V362 HydrophobicContact CB-CG2 4.24Å; L305-V362 HydrophobicContact CD1-CG2 4.29Å
306A95.1Very high92.8Very high2 Ų216.4 Ų16.42%0.01711%0.106CC..Hα-helixtrans-61.5-32.9176.100000112.8I139 A302 A303 G308 V362 N365I139-A306 HydrophobicContact CG2-CB 3.86Å; A302-A306 PolarHBondContact O-N 3.27Å; A303-A306 WeakPolarHBondContact O-CB 3.44Å; A303-A306 PolarHBondContact O-N 2.86Å; A303-A306 VanDerWaalsContact O-N 3.16Å; A306-G308 VanDerWaalsContact C-N 3.34Å; A306-G308 PolarHBondContact O-N 2.87Å; A306-V362 HydrophobicContact CB-CG1 3.74Å; A306-N365 PolarHBondContact O-N 3.11Å
307N94.7Very high92.7Very high42 Ų4223 Ų2323%0.22513%0.129CC..THydrogen-bonded Turntrans-93.722.5-176.5-162.630.9000113.4I139 A303 T304 L305 G309 I310I139-N307 HydrophobicContact CB-CB 4.04Å; I139-N307 HydrophobicContact CG2-CB 3.76Å; A303-N307 WeakPolarHBondContact O-CB 3.49Å; A303-N307 PolarHBondContact O-N 2.98Å; T304-N307 PolarHBondContact O-N 3.11Å; L305-N307 PolarHBondContact O-N 2.87Å; N307-G309 VanDerWaalsContact C-N 3.29Å; N307-G309 PolarHBondContact O-N 2.86Å; N307-I310 WeakPolarHBondContact CB-O 3.43Å; N307-I310 PolarHBondContact ND2-O 3.49Å; N307-I310 PolarHBondContact O-N 3.43Å
308G92.4Very high92.6Very high27 Ų2723.5 Ų23.528%0.27813%0.132SC..THydrogen-bonded Turntrans68.624175.400000114.7L305 A306L305-G308 PolarHBondContact O-N 3.48Å; A306-G308 VanDerWaalsContact C-N 3.34Å; A306-G308 PolarHBondContact O-N 2.87Å
309G90.9Very high92.6Very high0 Ų023.5 Ų23.50%013%0.132CC..THydrogen-bonded Turntrans96.16.2177.900000114.9T304 N307 V318 L319T304-G309 WeakPolarHBondContact O-CA 3.43Å; T304-G309 PolarHBondContact O-N 3.49Å; N307-G309 VanDerWaalsContact C-N 3.29Å; N307-G309 PolarHBondContact O-N 2.86Å; G309-V318 PolarHBondContact O-N 3.4Å; G309-L319 PolarHBondContact O-N 3.26Å; G309-L319 VanDerWaalsContact O-N 3.09Å
310I94Very high92.5Very high50 Ų5024.9 Ų24.926%0.25614%0.142SC..BIsolated β-bridgetrans-98.9124174.7-59.4171.4000108.9N307 D316 R317N307-I310 WeakPolarHBondContact CB-O 3.43Å; N307-I310 PolarHBondContact ND2-O 3.49Å; N307-I310 PolarHBondContact O-N 3.43Å; I310-D316 CarbonylContact C-O 3.59Å; I310-D316 WeakPolarHBondContact CA-O 3.47Å; I310-R317 HydrophobicContact CG1-CB 4.38Å
311C93.2Very high92.4Very high0 Ų027.6 Ų27.60%017%0.165CC..  trans-64.9125178.8-174.80000110T313 T314 G315 D316 V318C311-T313 VanDerWaalsContact C-N 3.28Å; C311-T313 PolarHBondContact O-N 3.29Å; C311-T313 PolarHBondContact SG-OG1 3.07Å; C311-T313 VanDerWaalsContact SG-OG1 3.4Å; C311-T314 WeakPolarHBondContact CB-OG1 3.31Å; C311-G315 WeakPolarHBondContact O-CA 3.27Å; C311-G315 PolarHBondContact O-N 2.82Å; C311-D316 PolarHBondContact N-O 3.21Å; C311-V318 HydrophobicContact CB-CG2 4.13Å
312P89.6Confident92.3Very high3 Ų331.7 Ų31.72%0.01918%0.184CC..THydrogen-bonded Turntrans-67.1-28.3-174.227-36.1000112.9R45 T138 I139 V300 A303 T304R45-P312 PolarHBondContact NE-O 2.85Å; R45-P312 PolarHBondContact NH1-O 3.27Å; R45-P312 PolarHBondContact NH2-O 3.12Å; T138-P312 WeakPolarHBondContact O-CB 3.37Å; I139-P312 VanDerWaalsContact O-CB 3.28Å; I139-P312 WeakPolarHBondContact O-CB 3.35Å; V300-P312 HydrophobicContact CG1-CG 4.29Å; A303-P312 HydrophobicContact CB-CG 3.81Å; T304-P312 WeakPolarHBondContact OG1-CD 3.4Å
313T88Confident92.3Very high1 Ų131.7 Ų31.71%0.00618%0.184CC..THydrogen-bonded Turntrans-92.1-21.6-17654.90000113.9R45 V300 C311R45-T313 WeakPolarHBondContact CD-O 3.37Å; R45-T313 VanDerWaalsContact CG-O 3.22Å; R45-T313 WeakPolarHBondContact CG-O 3.13Å; R45-T313 PolarHBondContact NE-O 2.74Å; V300-T313 HydrophobicContact CG1-CG2 4.34Å; C311-T313 VanDerWaalsContact C-N 3.28Å; C311-T313 PolarHBondContact O-N 3.29Å; C311-T313 PolarHBondContact SG-OG1 3.07Å; C311-T313 VanDerWaalsContact SG-OG1 3.4Å
314T87.1Confident92.2Very high36 Ų3631.9 Ų31.922%0.22119%0.185CC..THydrogen-bonded Turntrans-109.9-27.9177.772.20000113P44 C311 D316P44-T314 HydrophobicContact CG-CG2 4.36Å; C311-T314 WeakPolarHBondContact CB-OG1 3.31Å; T314-D316 VanDerWaalsContact C-N 3.26Å; T314-D316 VanDerWaalsContact CB-OD2 3.25Å; T314-D316 WeakPolarHBondContact CB-OD2 3.37Å; T314-D316 WeakPolarHBondContact OG1-CB 2.98Å; T314-D316 PolarHBondContact OG1-N 2.81Å; T314-D316 PolarHBondContact OG1-OD2 2.9Å
315G86Confident92.2Very high49 Ų4939.3 Ų39.351%0.50521%0.213SC..  trans80.83.6-172.600000113.9C311C311-G315 WeakPolarHBondContact O-CA 3.27Å; C311-G315 PolarHBondContact O-N 2.82Å
316D89.1Confident92.2Very high97 Ų9740.6 Ų40.652%0.51922%0.22SC..  trans-77.2138.4179.4-59.1-45.5000110.9I310 C311 T314 V318I310-D316 CarbonylContact C-O 3.59Å; I310-D316 WeakPolarHBondContact CA-O 3.47Å; C311-D316 PolarHBondContact N-O 3.21Å; T314-D316 VanDerWaalsContact C-N 3.26Å; T314-D316 VanDerWaalsContact CB-OD2 3.25Å; T314-D316 WeakPolarHBondContact CB-OD2 3.37Å; T314-D316 WeakPolarHBondContact OG1-CB 2.98Å; T314-D316 PolarHBondContact OG1-N 2.81Å; T314-D316 PolarHBondContact OG1-OD2 2.9Å; D316-V318 PolarHBondContact O-N 2.97Å
317R91.4Very high92.2Very high173 Ų17340.5 Ų40.565%0.65322%0.219SC*.BIsolated β-bridgetrans-80104.1171.1-177.7-178.1-69.6-105.60.4108.8I310I310-R317 HydrophobicContact CG1-CB 4.38Å
318V91.6Very high92.2Very high11 Ų1139.5 Ų39.57%0.06721%0.213CC..  trans-91.3-36.6-178-170.80000111.7F231 M235 G309 C311 D316F231-V318 HydrophobicContact CD1-CG1 4.07Å; M235-V318 HydrophobicContact CG-CB 4.14Å; M235-V318 HydrophobicContact CG-CG1 3.51Å; G309-V318 PolarHBondContact O-N 3.4Å; C311-V318 HydrophobicContact CB-CG2 4.13Å; D316-V318 PolarHBondContact O-N 2.97Å
319L93Very high92.3Very high0 Ų041.4 Ų41.40%022%0.223CC..SBendtrans-126.2157.7-177.8-66.1170.6000111.6A165 I166 H169 M235 L305 G309 V324A165-L319 HydrophobicContact CB-CD1 3.9Å; A165-L319 HydrophobicContact CB-CD2 4.27Å; I166-L319 HydrophobicContact CG1-CD2 4.45Å; H169-L319 HydrophobicContact CB-CD2 4.11Å; M235-L319 HydrophobicContact SD-CD1 3.65Å; M235-L319 HydrophobicContact SD-CG 4.25Å; L305-L319 HydrophobicContact CD2-CD1 3.9Å; G309-L319 PolarHBondContact O-N 3.26Å; G309-L319 VanDerWaalsContact O-N 3.09Å; L319-V324 HydrophobicContact CB-CG2 3.83Å; L319-V324 HydrophobicContact CD1-CG2 4.13Å
320S93.8Very high92.4Very high31 Ų3141.9 Ų41.922%0.21723%0.225CC..  trans-74.1144.4169.861.10000110.2H169 E322 S323 V324H169-S320 PolarHBondContact ND1-N 3.28Å; H169-S320 VanDerWaalsContact ND1-N 3.15Å; S320-E322 PolarHBondContact O-N 3.39Å; S320-S323 WeakPolarHBondContact O-CB 3.3Å; S320-S323 PolarHBondContact O-N 2.97Å; S320-S323 VanDerWaalsContact O-N 3.11Å; S320-S323 VanDerWaalsContact OG-CB 3.22Å; S320-S323 WeakPolarHBondContact OG-CB 3.5Å; S320-S323 PolarHBondContact OG-N 3.13Å; S320-V324 WeakPolarHBondContact O-CG2 3.36Å; S320-V324 PolarHBondContact O-N 3.3Å; S320-V324 VanDerWaalsContact O-N 3.11Å
321A92.9Very high92.4Very high57 Ų5739.6 Ų39.647%0.47121%0.213SC..Hα-helixtrans-61.4-31.2179.500000112.3R325A321-R325 WeakPolarHBondContact O-CB 3.01Å; A321-R325 PolarHBondContact O-N 3.08Å
322E93.6Very high92.4Very high87 Ų8741.2 Ų41.241%0.40722%0.221SC..Hα-helixtrans-63.4-47.7173.7-176.1-176.7177.600112T173 S320 V324 R325 N326T173-E322 VanDerWaalsContact CB-OE1 3.24Å; T173-E322 WeakPolarHBondContact CB-OE1 3.32Å; T173-E322 VanDerWaalsContact OG1-CD 3.24Å; T173-E322 PolarHBondContact OG1-OE1 3.2Å; S320-E322 PolarHBondContact O-N 3.39Å; E322-V324 VanDerWaalsContact C-N 3.32Å; E322-V324 PolarHBondContact O-N 2.71Å; E322-R325 PolarHBondContact O-N 3.13Å; E322-N326 VanDerWaalsContact O-CG 3.24Å; E322-N326 PolarHBondContact O-N 2.95Å; E322-N326 PolarHBondContact O-OD1 3.49Å
323S94.2Very high92.4Very high0 Ų042.9 Ų42.90%023%0.233CC..Hα-helixtrans-58.3-44.9177.1165.30000111.7A165 S320 N326 T327A165-S323 WeakPolarHBondContact CA-OG 3.48Å; A165-S323 WeakPolarHBondContact CB-OG 3.47Å; A165-S323 PolarHBondContact O-OG 2.85Å; S320-S323 WeakPolarHBondContact O-CB 3.3Å; S320-S323 PolarHBondContact O-N 2.97Å; S320-S323 VanDerWaalsContact O-N 3.11Å; S320-S323 VanDerWaalsContact OG-CB 3.22Å; S320-S323 WeakPolarHBondContact OG-CB 3.5Å; S320-S323 PolarHBondContact OG-N 3.13Å; S323-N326 PolarHBondContact O-N 3.24Å; S323-T327 WeakPolarHBondContact O-CB 3.26Å; S323-T327 PolarHBondContact O-N 2.9Å; S323-T327 PolarHBondContact O-OG1 3.19Å
324V95Very high92.4Very high4 Ų443.4 Ų43.42%0.02424%0.236CC..Hα-helixtrans-63.1-46.7178.5175.90000111.3L305 L319 S320 E322 N326 T327 L328L305-V324 HydrophobicContact CB-CG1 4.46Å; L305-V324 HydrophobicContact CD2-CG1 4.44Å; L305-V324 HydrophobicContact CD2-CG2 4.32Å; L305-V324 WeakPolarHBondContact O-CG1 3.37Å; L319-V324 HydrophobicContact CB-CG2 3.83Å; L319-V324 HydrophobicContact CD1-CG2 4.13Å; S320-V324 WeakPolarHBondContact O-CG2 3.36Å; S320-V324 PolarHBondContact O-N 3.3Å; S320-V324 VanDerWaalsContact O-N 3.11Å; E322-V324 VanDerWaalsContact C-N 3.32Å; E322-V324 PolarHBondContact O-N 2.71Å; V324-N326 VanDerWaalsContact C-N 3.34Å; V324-N326 PolarHBondContact O-N 3.45Å; V324-T327 PolarHBondContact O-N 2.9Å; V324-L328 HydrophobicContact CG1-CD1 3.86Å; V324-L328 HydrophobicContact CG1-CG 4.27Å; V324-L328 VanDerWaalsContact O-CG 3.3Å; V324-L328 WeakPolarHBondContact O-CG 3.49Å; V324-L328 PolarHBondContact O-N 3.28Å
325R95Very high92.3Very high156 Ų15641.7 Ų41.759%0.58923%0.226SC*.Hα-helixtrans-58.3-45.8178.4-179.8-178.563.4-168.3-3.2112A321 E322 L328 S329A321-R325 WeakPolarHBondContact O-CB 3.01Å; A321-R325 PolarHBondContact O-N 3.08Å; E322-R325 PolarHBondContact O-N 3.13Å; R325-L328 PolarHBondContact O-N 3.39Å; R325-S329 WeakPolarHBondContact O-CB 3.19Å; R325-S329 PolarHBondContact O-N 3.19Å; R325-S329 PolarHBondContact O-OG 3.37Å
326N94.8Very high92.4Very high26 Ų2639.4 Ų39.414%0.13920%0.202CC..Hα-helixtrans-67.3-41.7-178.9-62.5-8.9000111Y164 T173 E322 S323 V324 S329 L330Y164-N326 HydrophobicContact CE1-CB 4.01Å; Y164-N326 WeakPolarHBondContact OH-CB 3.41Å; T173-N326 VanDerWaalsContact CG2-ND2 3.3Å; T173-N326 WeakPolarHBondContact CG2-ND2 3.36Å; T173-N326 PolarHBondContact OG1-ND2 3.08Å; E322-N326 VanDerWaalsContact O-CG 3.24Å; E322-N326 PolarHBondContact O-N 2.95Å; E322-N326 PolarHBondContact O-OD1 3.49Å; S323-N326 PolarHBondContact O-N 3.24Å; V324-N326 VanDerWaalsContact C-N 3.34Å; V324-N326 PolarHBondContact O-N 3.45Å; N326-S329 PolarHBondContact O-N 3.48Å; N326-L330 WeakPolarHBondContact O-CG 3.41Å; N326-L330 PolarHBondContact O-N 3.23Å
327T95.4Very high92.4Very high0 Ų035.7 Ų35.70%018%0.181CC..Hα-helixtrans-59.9-48.3176.5-57.70000111.3P161 Y164 A165 S323 V324 S329 L330 M331P161-T327 HydrophobicContact CB-CG2 3.7Å; P161-T327 WeakPolarHBondContact O-CG2 3.46Å; Y164-T327 HydrophobicContact CD1-CG2 4.5Å; Y164-T327 WeakPolarHBondContact CD1-OG1 2.93Å; A165-T327 HydrophobicContact CB-CG2 4.39Å; A165-T327 WeakPolarHBondContact CB-OG1 3.29Å; S323-T327 WeakPolarHBondContact O-CB 3.26Å; S323-T327 PolarHBondContact O-N 2.9Å; S323-T327 PolarHBondContact O-OG1 3.19Å; V324-T327 PolarHBondContact O-N 2.9Å; T327-S329 VanDerWaalsContact C-N 3.32Å; T327-S329 PolarHBondContact O-N 3.21Å; T327-L330 PolarHBondContact O-N 2.81Å; T327-M331 HydrophobicContact CG2-CG 4.38Å; T327-M331 HydrophobicContact CG2-SD 3.99Å; T327-M331 WeakPolarHBondContact O-CB 3.28Å; T327-M331 VanDerWaalsContact O-CG 3.3Å; T327-M331 WeakPolarHBondContact O-CG 3.48Å; T327-M331 PolarHBondContact O-N 3.49Å
328L95.3Very high92Very high21 Ų2130.8 Ų30.811%0.1117%0.168CC..Hα-helixtrans-63.4-37.9178.7-68.5175.1000112.4L305 V324 R325 M331 H332 P350 V362 P364L305-L328 HydrophobicContact CB-CD2 4.29Å; V324-L328 HydrophobicContact CG1-CD1 3.86Å; V324-L328 HydrophobicContact CG1-CG 4.27Å; V324-L328 VanDerWaalsContact O-CG 3.3Å; V324-L328 WeakPolarHBondContact O-CG 3.49Å; V324-L328 PolarHBondContact O-N 3.28Å; R325-L328 PolarHBondContact O-N 3.39Å; L328-M331 HydrophobicContact CD2-SD 4.45Å; L328-M331 PolarHBondContact O-N 3.34Å; L328-H332 WeakPolarHBondContact O-CB 3.44Å; L328-H332 PolarHBondContact O-N 3.16Å; L328-P350 HydrophobicContact CB-CB 4.48Å; L328-P350 HydrophobicContact CB-CG 4.36Å; L328-P350 HydrophobicContact CD2-CB 3.97Å; L328-P350 HydrophobicContact CD2-CG 4.27Å; L328-V362 HydrophobicContact CD2-CB 3.78Å; L328-V362 HydrophobicContact CD2-CG1 3.64Å; L328-V362 HydrophobicContact CD2-CG2 4.02Å; L328-P364 HydrophobicContact CD1-CG 4.35Å
329S94Very high91.7Very high68 Ų6831.2 Ų31.248%0.47617%0.169SC..Hα-helixtrans-62.7-44.6176.9-56.30000111.2R325 N326 T327 H332 S333R325-S329 WeakPolarHBondContact O-CB 3.19Å; R325-S329 PolarHBondContact O-N 3.19Å; R325-S329 PolarHBondContact O-OG 3.37Å; N326-S329 PolarHBondContact O-N 3.48Å; T327-S329 VanDerWaalsContact C-N 3.32Å; T327-S329 PolarHBondContact O-N 3.21Å; S329-H332 WeakPolarHBondContact O-CB 3.32Å; S329-H332 PolarHBondContact O-N 2.86Å; S329-S333 PolarHBondContact O-N 3.27Å; S329-S333 PolarHBondContact O-OG 3.1Å
330L93.2Very high91.4Very high9 Ų932.1 Ų32.15%0.04718%0.175CC..Hα-helixtrans-73.5-32178.3-67.8169.4000113Y164 K182 P203 M204 N326 T327 H332 C334Y164-L330 HydrophobicContact CD1-CD1 4.19Å; Y164-L330 HydrophobicContact CE1-CD1 3.54Å; Y164-L330 HydrophobicContact CE2-CD1 4.17Å; K182-L330 VanDerWaalsContact O-CD2 3.25Å; K182-L330 WeakPolarHBondContact O-CD2 3.4Å; P203-L330 HydrophobicContact CG-CD1 3.59Å; M204-L330 HydrophobicContact CE-CB 3.79Å; M204-L330 HydrophobicContact CG-CB 4.47Å; N326-L330 WeakPolarHBondContact O-CG 3.41Å; N326-L330 PolarHBondContact O-N 3.23Å; T327-L330 PolarHBondContact O-N 2.81Å; L330-H332 VanDerWaalsContact C-N 3.3Å; L330-C334 WeakPolarHBondContact O-CA 3.47Å; L330-C334 WeakPolarHBondContact O-CB 3.36Å; L330-C334 PolarHBondContact O-N 2.78Å
331M94.1Very high91.1Very high2 Ų233 Ų331%0.0119%0.189CC..Hα-helixtrans-63.9-38.6171.5-76.6177.268.700111.2P161 M204 L305 T327 L328 G335 P350 K352 L360 V362P161-M331 HydrophobicContact CB-CG 3.9Å; P161-M331 HydrophobicContact CB-SD 3.72Å; P161-M331 HydrophobicContact CG-CG 3.99Å; P161-M331 HydrophobicContact CG-SD 4.12Å; M204-M331 HydrophobicContact CE-CG 3.94Å; L305-M331 HydrophobicContact CD1-SD 4.3Å; T327-M331 HydrophobicContact CG2-CG 4.38Å; T327-M331 HydrophobicContact CG2-SD 3.99Å; T327-M331 WeakPolarHBondContact O-CB 3.28Å; T327-M331 VanDerWaalsContact O-CG 3.3Å; T327-M331 WeakPolarHBondContact O-CG 3.48Å; T327-M331 PolarHBondContact O-N 3.49Å; L328-M331 HydrophobicContact CD2-SD 4.45Å; L328-M331 PolarHBondContact O-N 3.34Å; M331-G335 WeakPolarHBondContact O-CA 3.37Å; M331-G335 PolarHBondContact O-N 3.45Å; M331-G335 VanDerWaalsContact O-N 3.16Å; M331-P350 HydrophobicContact CB-CB 3.91Å; M331-K352 HydrophobicContact CE-CB 4.14Å; M331-L360 HydrophobicContact CE-CD2 4.2Å; M331-V362 HydrophobicContact CE-CG2 4.05Å
332H93.1Very high90.8Very high35 Ų3535.7 Ų35.716%0.16219%0.191CC..Hα-helixtrans-63.6-46.9177.4-178.266.5000112.2L328 S329 L330 P350L328-H332 WeakPolarHBondContact O-CB 3.44Å; L328-H332 PolarHBondContact O-N 3.16Å; S329-H332 WeakPolarHBondContact O-CB 3.32Å; S329-H332 PolarHBondContact O-N 2.86Å; L330-H332 VanDerWaalsContact C-N 3.3Å; H332-P350 HydrophobicContact CB-CG 4.4Å
333S90.1Very high90.7Very high38 Ų3831.7 Ų31.727%0.26617%0.173SC..Hα-helixtrans-87.2-28.6-175.561.30000114.9S329 S340S329-S333 PolarHBondContact O-N 3.27Å; S329-S333 PolarHBondContact O-OG 3.1Å; S333-S340 WeakPolarHBondContact O-CB 3.43Å; S333-S340 PolarHBondContact O-OG 2.87Å
334C88.6Confident90.5Very high12 Ų1232.4 Ų32.48%0.08118%0.179CC..Hα-helixtrans-129.47.1-166.4-550000114N202 M204 L330N202-C334 HydrophobicContact CB-CB 4.46Å; M204-C334 HydrophobicContact CB-CB 3.95Å; M204-C334 VanDerWaalsContact CB-O 3.28Å; M204-C334 WeakPolarHBondContact CB-O 3.22Å; M204-C334 HydrophobicContact CG-CB 3.96Å; L330-C334 WeakPolarHBondContact O-CA 3.47Å; L330-C334 WeakPolarHBondContact O-CB 3.36Å; L330-C334 PolarHBondContact O-N 2.78Å
335G84.8Confident90.2Very high0 Ų039.5 Ų39.50%021%0.21CC..SBendtrans-84.1-28.5-165.900000117M331 A351 K352 S353M331-G335 WeakPolarHBondContact O-CA 3.37Å; M331-G335 PolarHBondContact O-N 3.45Å; M331-G335 VanDerWaalsContact O-N 3.16Å; G335-A351 CarbonylContact C-O 3.57Å; G335-A351 VanDerWaalsContact CA-O 3.22Å; G335-A351 WeakPolarHBondContact CA-O 3.29Å; G335-K352 VanDerWaalsContact O-CD 3.25Å; G335-K352 WeakPolarHBondContact O-CD 3.36Å; G335-K352 WeakPolarHBondContact O-CE 3.45Å; G335-K352 PolarHBondContact O-NZ 3.35Å; G335-S353 PolarHBondContact O-N 2.82Å
336M88.3Confident89.9Confident1 Ų137.2 Ų37.21%0.00521%0.205CC..SBendtrans-106.744.9-172.6-59.3-66.6-72.300113.4D338 F339 S340 F343 A351 S353 V359 N381 I386M336-D338 PolarHBondContact O-N 3.3Å; M336-F339 CarbonylContact O-C 3.52Å; M336-F339 WeakPolarHBondContact O-CA 3.33Å; M336-F339 VanDerWaalsContact O-CB 3.31Å; M336-F339 WeakPolarHBondContact O-CB 3.46Å; M336-F339 PolarHBondContact O-N 3.21Å; M336-S340 PolarHBondContact O-N 3.01Å; M336-S340 VanDerWaalsContact O-N 3.15Å; M336-F343 HydrophobicContact CB-CB 4.27Å; M336-F343 HydrophobicContact CB-CG 4.43Å; M336-F343 HydrophobicContact CE-CD2 4.27Å; M336-F343 HydrophobicContact CE-CE2 4.22Å; M336-F343 HydrophobicContact CG-CB 4.17Å; M336-F343 HydrophobicContact CG-CD1 3.81Å; M336-F343 HydrophobicContact CG-CD2 4.26Å; M336-F343 HydrophobicContact CG-CE1 4.23Å; M336-F343 HydrophobicContact CG-CG 3.81Å; M336-A351 HydrophobicContact CG-CB 4.18Å; M336-A351 HydrophobicContact SD-CB 3.81Å; M336-S353 PolarHBondContact SD-N 2.93Å; M336-V359 HydrophobicContact CE-CG1 4.14Å; M336-V359 HydrophobicContact SD-CG1 4.3Å; M336-N381 HydrophobicContact CE-CB 4.35Å; M336-I386 HydrophobicContact CE-CD1 4.41Å; M336-I386 HydrophobicContact CE-CG1 4.05Å
337Y87.2Confident89.7Confident18 Ų1836 Ų367%0.07120%0.199CC..G310 helixtrans50.3-137.8-177.5-52.7-70.9000112F189 F339 S340 S353 I355 G380 N381F189-Y337 HydrophobicContact CD1-CD1 4.33Å; F189-Y337 AromaticContact CD2-CD1 3.79Å; F189-Y337 HydrophobicContact CD2-CD1 3.79Å; F189-Y337 HydrophobicContact CE1-CD1 4.09Å; F189-Y337 HydrophobicContact CE1-CE1 4.23Å; F189-Y337 AromaticContact CE2-CD1 3.52Å; F189-Y337 HydrophobicContact CE2-CD1 3.52Å; F189-Y337 AromaticContact CE2-CE1 3.94Å; F189-Y337 HydrophobicContact CE2-CE1 3.94Å; F189-Y337 HydrophobicContact CG-CD1 4.19Å; F189-Y337 AromaticContact CZ-CD1 3.69Å; F189-Y337 HydrophobicContact CZ-CD1 3.69Å; F189-Y337 AromaticContact CZ-CE1 3.72Å; F189-Y337 HydrophobicContact CZ-CE1 3.72Å; Y337-F339 PolarHBondContact O-N 2.97Å; Y337-S340 VanDerWaalsContact O-CB 3.26Å; Y337-S340 WeakPolarHBondContact O-CB 3.11Å; Y337-S340 PolarHBondContact O-N 2.93Å; Y337-S340 VanDerWaalsContact O-N 3.15Å; Y337-S340 PolarHBondContact O-OG 3.44Å; Y337-S353 PolarHBondContact OH-O 3.49Å; Y337-I355 PolarHBondContact OH-N 3.12Å; Y337-G380 VanDerWaalsContact CE2-O 3.32Å; Y337-G380 WeakPolarHBondContact CE2-O 3.28Å; Y337-N381 VanDerWaalsContact CD2-OD1 3.25Å; Y337-N381 WeakPolarHBondContact CD2-OD1 3.48Å
338D84.6Confident89.6Confident71 Ų7136 Ų3638%0.3820%0.199SC..G310 helixtrans-65.3-18.4176.3-70.8-9000112.7F189 M336 S340 L379F189-D338 VanDerWaalsContact CB-OD1 3.27Å; F189-D338 WeakPolarHBondContact CB-OD1 3.3Å; F189-D338 PolarHBondContact N-OD1 3.45Å; F189-D338 PolarHBondContact N-OD2 3Å; M336-D338 PolarHBondContact O-N 3.3Å; D338-S340 VanDerWaalsContact C-N 3.31Å; D338-L379 HydrophobicContact CB-CD2 4.37Å
339F85.3Confident89.5Confident20 Ų2035 Ų359%0.08819%0.194CC..G310 helixtrans-83.5-4.7176.7-168.5-120.5000113.1M336 Y337 G341 Q342 F343 L379 N381 I386M336-F339 CarbonylContact O-C 3.52Å; M336-F339 WeakPolarHBondContact O-CA 3.33Å; M336-F339 VanDerWaalsContact O-CB 3.31Å; M336-F339 WeakPolarHBondContact O-CB 3.46Å; M336-F339 PolarHBondContact O-N 3.21Å; Y337-F339 PolarHBondContact O-N 2.97Å; F339-G341 VanDerWaalsContact C-N 3.35Å; F339-G341 PolarHBondContact O-N 3.16Å; F339-Q342 HydrophobicContact CD2-CB 3.71Å; F339-Q342 HydrophobicContact CD2-CG 4.45Å; F339-Q342 HydrophobicContact CE2-CB 3.55Å; F339-Q342 HydrophobicContact CE2-CG 4.44Å; F339-Q342 HydrophobicContact CZ-CB 4.28Å; F339-Q342 PolarHBondContact O-N 2.99Å; F339-F343 HydrophobicContact CD1-CB 3.82Å; F339-F343 HydrophobicContact CD1-CD2 4.16Å; F339-F343 HydrophobicContact CD1-CG 4.45Å; F339-F343 HydrophobicContact CE1-CB 3.91Å; F339-F343 AromaticContact CE1-CD2 3.79Å; F339-F343 HydrophobicContact CE1-CD2 3.79Å; F339-F343 HydrophobicContact CE1-CG 4.36Å; F339-F343 VanDerWaalsContact O-CB 3.3Å; F339-F343 WeakPolarHBondContact O-CB 3.42Å; F339-F343 PolarHBondContact O-N 3.43Å; F339-L379 HydrophobicContact CB-CD1 3.92Å; F339-L379 HydrophobicContact CD2-CD1 4.26Å; F339-L379 HydrophobicContact CG-CD1 4.45Å; F339-N381 WeakPolarHBondContact CB-ND2 3.41Å; F339-I386 HydrophobicContact CD1-CD1 3.92Å; F339-I386 HydrophobicContact CE1-CD1 3.92Å; F339-I386 HydrophobicContact CE1-CG1 4.3Å; F339-I386 HydrophobicContact CE1-CG2 3.83Å; F339-I386 HydrophobicContact CZ-CG2 4.26Å
340S86.4Confident89.6Confident19 Ų1931.9 Ų31.913%0.13317%0.172CC..Hα-helixtrans-52-45.6-177.750.50000114S333 M336 Y337 D338 F343 A344S333-S340 WeakPolarHBondContact O-CB 3.43Å; S333-S340 PolarHBondContact O-OG 2.87Å; M336-S340 PolarHBondContact O-N 3.01Å; M336-S340 VanDerWaalsContact O-N 3.15Å; Y337-S340 VanDerWaalsContact O-CB 3.26Å; Y337-S340 WeakPolarHBondContact O-CB 3.11Å; Y337-S340 PolarHBondContact O-N 2.93Å; Y337-S340 VanDerWaalsContact O-N 3.15Å; Y337-S340 PolarHBondContact O-OG 3.44Å; D338-S340 VanDerWaalsContact C-N 3.31Å; S340-F343 PolarHBondContact O-N 2.89Å; S340-A344 VanDerWaalsContact O-CB 3.28Å; S340-A344 WeakPolarHBondContact O-CB 3.47Å; S340-A344 PolarHBondContact O-N 3.42Å
341G86.5Confident89.7Confident49 Ų4931.5 Ų31.551%0.50517%0.17SC..Hα-helixtrans-65.3-44.5178.300000113.7F339 A344 F345F339-G341 VanDerWaalsContact C-N 3.35Å; F339-G341 PolarHBondContact O-N 3.16Å; G341-A344 PolarHBondContact O-N 3.42Å; G341-F345 WeakPolarHBondContact O-CB 3.36Å; G341-F345 PolarHBondContact O-N 2.97Å; G341-F345 VanDerWaalsContact O-N 3.08Å
342Q88Confident89.7Confident113 Ų11331.4 Ų31.453%0.52817%0.17SC..Hα-helixtrans-69.2-38178-69.6-178.23.700111.6F339 F345 H346F339-Q342 HydrophobicContact CD2-CB 3.71Å; F339-Q342 HydrophobicContact CD2-CG 4.45Å; F339-Q342 HydrophobicContact CE2-CB 3.55Å; F339-Q342 HydrophobicContact CE2-CG 4.44Å; F339-Q342 HydrophobicContact CZ-CB 4.28Å; F339-Q342 PolarHBondContact O-N 2.99Å; Q342-F345 PolarHBondContact O-N 2.95Å; Q342-H346 WeakPolarHBondContact O-CB 3.36Å; Q342-H346 PolarHBondContact O-CD2 3.26Å; Q342-H346 PolarHBondContact O-N 2.89Å
343F90.5Very high89.7Confident3 Ų329.8 Ų29.81%0.01316%0.162CC..Hα-helixtrans-64.5-44.5175.3-170.3-94.6000111.6M336 F339 S340 F345 H346 V347 G348 L349 A351 L361 C389M336-F343 HydrophobicContact CB-CB 4.27Å; M336-F343 HydrophobicContact CB-CG 4.43Å; M336-F343 HydrophobicContact CE-CD2 4.27Å; M336-F343 HydrophobicContact CE-CE2 4.22Å; M336-F343 HydrophobicContact CG-CB 4.17Å; M336-F343 HydrophobicContact CG-CD1 3.81Å; M336-F343 HydrophobicContact CG-CD2 4.26Å; M336-F343 HydrophobicContact CG-CE1 4.23Å; M336-F343 HydrophobicContact CG-CG 3.81Å; F339-F343 HydrophobicContact CD1-CB 3.82Å; F339-F343 HydrophobicContact CD1-CD2 4.16Å; F339-F343 HydrophobicContact CD1-CG 4.45Å; F339-F343 HydrophobicContact CE1-CB 3.91Å; F339-F343 AromaticContact CE1-CD2 3.79Å; F339-F343 HydrophobicContact CE1-CD2 3.79Å; F339-F343 HydrophobicContact CE1-CG 4.36Å; F339-F343 VanDerWaalsContact O-CB 3.3Å; F339-F343 WeakPolarHBondContact O-CB 3.42Å; F339-F343 PolarHBondContact O-N 3.43Å; S340-F343 PolarHBondContact O-N 2.89Å; F343-F345 PolarHBondContact O-N 3.46Å; F343-H346 PolarHBondContact O-N 2.85Å; F343-V347 HydrophobicContact CD1-CB 4.33Å; F343-V347 HydrophobicContact CD2-CB 4.17Å; F343-V347 HydrophobicContact CD2-CG2 3.79Å; F343-V347 HydrophobicContact CE1-CB 4.11Å; F343-V347 HydrophobicContact CE1-CG1 4.08Å; F343-V347 HydrophobicContact CE2-CB 3.97Å; F343-V347 HydrophobicContact CE2-CG1 4.07Å; F343-V347 HydrophobicContact CE2-CG2 3.67Å; F343-V347 HydrophobicContact CG-CB 4.37Å; F343-V347 HydrophobicContact CG-CG2 4.4Å; F343-V347 HydrophobicContact CZ-CB 3.94Å; F343-V347 HydrophobicContact CZ-CG1 3.7Å; F343-V347 HydrophobicContact CZ-CG2 4.15Å; F343-V347 WeakPolarHBondContact O-CA 3.48Å; F343-V347 WeakPolarHBondContact O-CB 3.28Å; F343-V347 PolarHBondContact O-N 3.04Å; F343-G348 PolarHBondContact O-N 3.34Å; F343-L349 VanDerWaalsContact CE1-O 3.3Å; F343-L349 WeakPolarHBondContact CE1-O 3.31Å; F343-A351 HydrophobicContact CD1-CB 4.32Å; F343-A351 HydrophobicContact CE1-CB 3.42Å; F343-A351 VanDerWaalsContact CE1-CB 3.42Å; F343-A351 HydrophobicContact CZ-CB 3.71Å; F343-L361 HydrophobicContact CE1-CD1 4.48Å; F343-L361 HydrophobicContact CZ-CD1 4.15Å; F343-C389 HydrophobicContact CE2-CB 3.97Å; F343-C389 HydrophobicContact CZ-CB 4.17Å
344A90.6Very high89.7Confident16 Ų1628 Ų2813%0.13215%0.149CC..Hα-helixtrans-62.4-31.3175.300000112.6S340 G341 G348S340-A344 VanDerWaalsContact O-CB 3.28Å; S340-A344 WeakPolarHBondContact O-CB 3.47Å; S340-A344 PolarHBondContact O-N 3.42Å; G341-A344 PolarHBondContact O-N 3.42Å; A344-G348 WeakPolarHBondContact O-CA 3.3Å; A344-G348 PolarHBondContact O-N 3.46Å
345F88.3Confident89.6Confident153 Ų15328.8 Ų28.867%0.67115%0.152SC*.Hα-helixtrans-80-42.3178-177.6-98.3000113.7G341 Q342 F343 H399G341-F345 WeakPolarHBondContact O-CB 3.36Å; G341-F345 PolarHBondContact O-N 2.97Å; G341-F345 VanDerWaalsContact O-N 3.08Å; Q342-F345 PolarHBondContact O-N 2.95Å; F343-F345 PolarHBondContact O-N 3.46Å; F345-H399 PolarHBondContact O-NE2 2.96Å
346H88.6Confident89.7Confident107 Ų10729 Ų2950%0.49515%0.154SC..Hα-helixtrans-89-40.6-175.1-69.6-58.6000113.6Q342 F343Q342-H346 WeakPolarHBondContact O-CB 3.36Å; Q342-H346 PolarHBondContact O-CD2 3.26Å; Q342-H346 PolarHBondContact O-N 2.89Å; F343-H346 PolarHBondContact O-N 2.85Å
347V91.5Very high89.7Confident1 Ų128.9 Ų28.91%0.00615%0.153CC..THydrogen-bonded Turntrans-100-41.5-177-176.10000110.1F343 L349 C389 Q390 V393 H399F343-V347 HydrophobicContact CD1-CB 4.33Å; F343-V347 HydrophobicContact CD2-CB 4.17Å; F343-V347 HydrophobicContact CD2-CG2 3.79Å; F343-V347 HydrophobicContact CE1-CB 4.11Å; F343-V347 HydrophobicContact CE1-CG1 4.08Å; F343-V347 HydrophobicContact CE2-CB 3.97Å; F343-V347 HydrophobicContact CE2-CG1 4.07Å; F343-V347 HydrophobicContact CE2-CG2 3.67Å; F343-V347 HydrophobicContact CG-CB 4.37Å; F343-V347 HydrophobicContact CG-CG2 4.4Å; F343-V347 HydrophobicContact CZ-CB 3.94Å; F343-V347 HydrophobicContact CZ-CG1 3.7Å; F343-V347 HydrophobicContact CZ-CG2 4.15Å; F343-V347 WeakPolarHBondContact O-CA 3.48Å; F343-V347 WeakPolarHBondContact O-CB 3.28Å; F343-V347 PolarHBondContact O-N 3.04Å; V347-L349 HydrophobicContact CG1-CB 4.06Å; V347-L349 HydrophobicContact CG1-CD1 3.98Å; V347-L349 HydrophobicContact CG1-CG 4.1Å; V347-L349 PolarHBondContact O-N 3.41Å; V347-C389 HydrophobicContact CG1-CB 4.2Å; V347-C389 HydrophobicContact CG2-CB 4.48Å; V347-Q390 HydrophobicContact CG2-CG 3.88Å; V347-V393 HydrophobicContact CG1-CG2 3.64Å; V347-H399 VanDerWaalsContact C-CD2 3.47Å; V347-H399 PolarHBondContact O-CD2 3.45Å
348G91.8Very high90Very high0 Ų028 Ų280%015%0.15CC..  trans69.718.2174.900000114.9F343 A344 N400F343-G348 PolarHBondContact O-N 3.34Å; A344-G348 WeakPolarHBondContact O-CA 3.3Å; A344-G348 PolarHBondContact O-N 3.46Å; G348-N400 VanDerWaalsContact O-CB 3.22Å; G348-N400 WeakPolarHBondContact O-CB 3.47Å; G348-N400 PolarHBondContact O-N 3.02Å; G348-N400 PolarHBondContact O-ND2 3.18Å; G348-N400 PolarHBondContact O-OD1 3.2Å
349L94Very high90.5Very high0 Ų024.7 Ų24.70%013%0.132CC..SBendtrans-108.5145.1179.7-70.1174.5000111.3F343 V347 A351 L361 V363 V393 F398F343-L349 VanDerWaalsContact CE1-O 3.3Å; F343-L349 WeakPolarHBondContact CE1-O 3.31Å; V347-L349 HydrophobicContact CG1-CB 4.06Å; V347-L349 HydrophobicContact CG1-CD1 3.98Å; V347-L349 HydrophobicContact CG1-CG 4.1Å; V347-L349 PolarHBondContact O-N 3.41Å; L349-A351 PolarHBondContact O-N 3.31Å; L349-L361 HydrophobicContact CB-CD1 3.61Å; L349-L361 HydrophobicContact CD1-CD1 3.92Å; L349-L361 HydrophobicContact CD1-CD2 4.12Å; L349-L361 HydrophobicContact CD1-CG 4.3Å; L349-L361 HydrophobicContact CG-CD1 4.42Å; L349-V363 HydrophobicContact CD1-CG2 4.1Å; L349-V363 HydrophobicContact CD2-CB 4.48Å; L349-V363 HydrophobicContact CD2-CG1 4.34Å; L349-V363 HydrophobicContact CD2-CG2 4.03Å; L349-V393 HydrophobicContact CD1-CG2 3.8Å; L349-V393 HydrophobicContact CG-CG2 4.35Å; L349-F398 HydrophobicContact CD1-CB 4.42Å; L349-F398 HydrophobicContact CD2-CB 4.39Å; L349-F398 WeakPolarHBondContact CD2-O 3.37Å
350P95.8Very high91Very high3 Ų323.8 Ų23.82%0.01913%0.128CC..  trans-63.2119.4167.3-20.630.8000111L328 M331 H332 V362 P364L328-P350 HydrophobicContact CB-CB 4.48Å; L328-P350 HydrophobicContact CB-CG 4.36Å; L328-P350 HydrophobicContact CD2-CB 3.97Å; L328-P350 HydrophobicContact CD2-CG 4.27Å; M331-P350 HydrophobicContact CB-CB 3.91Å; H332-P350 HydrophobicContact CB-CG 4.4Å; P350-V362 HydrophobicContact CB-CB 4.5Å; P350-V362 WeakPolarHBondContact CD-O 3.36Å; P350-V362 PolarHBondContact O-N 3.11Å; P350-P364 HydrophobicContact CG-CG 4.35Å
351A95.4Very high91.5Very high0 Ų022.9 Ų22.90%012%0.122CC..EExtended strand (participates in β ladder)trans-141.6156.7177.500000112.2G335 M336 F343 L349 V359 L360 L361G335-A351 CarbonylContact C-O 3.57Å; G335-A351 VanDerWaalsContact CA-O 3.22Å; G335-A351 WeakPolarHBondContact CA-O 3.29Å; M336-A351 HydrophobicContact CG-CB 4.18Å; M336-A351 HydrophobicContact SD-CB 3.81Å; F343-A351 HydrophobicContact CD1-CB 4.32Å; F343-A351 HydrophobicContact CE1-CB 3.42Å; F343-A351 VanDerWaalsContact CE1-CB 3.42Å; F343-A351 HydrophobicContact CZ-CB 3.71Å; L349-A351 PolarHBondContact O-N 3.31Å; A351-V359 HydrophobicContact CB-CG1 4.45Å; A351-L360 CarbonylContact C-O 3.58Å; A351-L360 WeakPolarHBondContact CA-O 3.44Å; A351-L361 HydrophobicContact CB-CD1 3.79Å
352K94.9Very high92Very high1 Ų120.6 Ų20.60%0.00410%0.098CC..EExtended strand (participates in β ladder)trans-134126.6169.1-175.479-157.9720109.5S157 C158 P161 M204 M331 G335 L360S157-K352 WeakPolarHBondContact O-CE 3.5Å; S157-K352 WeakPolarHBondContact O-CG 3.43Å; C158-K352 PolarHBondContact SG-O 2.93Å; C158-K352 VanDerWaalsContact SG-O 3.38Å; P161-K352 HydrophobicContact CG-CB 3.72Å; P161-K352 HydrophobicContact CG-CD 3.89Å; P161-K352 HydrophobicContact CG-CG 3.63Å; M204-K352 HydrophobicContact SD-CD 3.92Å; M331-K352 HydrophobicContact CE-CB 4.14Å; G335-K352 VanDerWaalsContact O-CD 3.25Å; G335-K352 WeakPolarHBondContact O-CD 3.36Å; G335-K352 WeakPolarHBondContact O-CE 3.45Å; G335-K352 PolarHBondContact O-NZ 3.35Å; K352-L360 PolarHBondContact N-O 3.19Å; K352-L360 PolarHBondContact O-N 3.41Å
353S92.8Very high92.3Very high0 Ų015.5 Ų15.50%08%0.075CC..EExtended strand (participates in β ladder)trans-94.1148.8171.8-170.20000112.4G335 M336 Y337 A358 N381G335-S353 PolarHBondContact O-N 2.82Å; M336-S353 PolarHBondContact SD-N 2.93Å; Y337-S353 PolarHBondContact OH-O 3.49Å; S353-A358 CarbonylContact C-O 3.52Å; S353-A358 WeakPolarHBondContact CA-O 3.31Å; S353-A358 PolarHBondContact OG-O 3.32Å; S353-N381 WeakPolarHBondContact CB-OD1 3.48Å
354G89.6Confident92.4Very high0 Ų017.1 Ų17.10%09%0.086CC..  trans-119.2146170.900000110.7C158 S356 G357 A358C158-G354 PolarHBondContact SG-N 2.94Å; G354-S356 PolarHBondContact O-N 3.21Å; G354-G357 PolarHBondContact O-N 3.34Å; G354-A358 PolarHBondContact N-O 3.36Å
355I87.4Confident92.5Very high29 Ų2921.9 Ų21.915%0.14911%0.109CC..THydrogen-bonded Turntrans-58.4-13.2173.552.8162000113.9Y120 I121 L124 Q156 Y337 G357 L376Y120-I355 HydrophobicContact CE2-CD1 4.45Å; Y120-I355 WeakPolarHBondContact OH-CB 3.49Å; Y120-I355 WeakPolarHBondContact OH-CD1 3.45Å; Y120-I355 WeakPolarHBondContact OH-CG2 3.22Å; I121-I355 HydrophobicContact CD1-CD1 4.27Å; L124-I355 HydrophobicContact CD1-CD1 4.14Å; L124-I355 HydrophobicContact CD1-CG1 4.48Å; Q156-I355 HydrophobicContact CB-CD1 4.05Å; Q156-I355 HydrophobicContact CB-CG1 3.56Å; Q156-I355 HydrophobicContact CG-CD1 3.93Å; Q156-I355 HydrophobicContact CG-CG1 3.72Å; Y337-I355 PolarHBondContact OH-N 3.12Å; I355-G357 PolarHBondContact O-N 2.98Å; I355-L376 WeakPolarHBondContact O-CD1 3.44Å
356S86.6Confident92.6Very high4 Ų414.7 Ų14.73%0.0288%0.078CC..THydrogen-bonded Turntrans-76.8-0.9172.250.50000113.2C154 G354 W372C154-S356 WeakPolarHBondContact O-CB 3.34Å; C154-S356 PolarHBondContact O-OG 2.99Å; G354-S356 PolarHBondContact O-N 3.21Å; S356-W372 PolarHBondContact O-NE1 3.38Å
357G87.9Confident92.9Very high0 Ų09.6 Ų9.60%05%0.054CC..SBendtrans89.85.4-175.200000114.1G354 I355 W372 S373 S382G354-G357 PolarHBondContact O-N 3.34Å; I355-G357 PolarHBondContact O-N 2.98Å; G357-W372 WeakPolarHBondContact O-CA 3.46Å; G357-S373 CarbonylContact C-O 3.58Å; G357-S373 WeakPolarHBondContact CA-O 3.42Å; G357-S373 PolarHBondContact O-N 3.27Å; G357-S382 VanDerWaalsContact O-CB 3.28Å; G357-S382 WeakPolarHBondContact O-CB 3.3Å; G357-S382 PolarHBondContact O-OG 3.4Å
358A92.9Very high93.1Very high0 Ų09.6 Ų9.60%05%0.054CC..EExtended strand (participates in β ladder)trans-83.1142.9179.200000111.6F153 S353 G354 C371F153-A358 HydrophobicContact CD2-CB 4.33Å; F153-A358 HydrophobicContact CE2-CB 3.48Å; F153-A358 VanDerWaalsContact CE2-CB 3.48Å; F153-A358 HydrophobicContact CZ-CB 4Å; S353-A358 CarbonylContact C-O 3.52Å; S353-A358 WeakPolarHBondContact CA-O 3.31Å; S353-A358 PolarHBondContact OG-O 3.32Å; G354-A358 PolarHBondContact N-O 3.36Å; A358-C371 CarbonylContact C-O 3.48Å; A358-C371 WeakPolarHBondContact CA-O 3.39Å
359V95.6Very high93.3Very high0 Ų09.6 Ų9.60%05%0.054CC..EExtended strand (participates in β ladder)trans-131.1107.5170.8-176.90000107.8M336 A351 L370 C371M336-V359 HydrophobicContact CE-CG1 4.14Å; M336-V359 HydrophobicContact SD-CG1 4.3Å; A351-V359 HydrophobicContact CB-CG1 4.45Å; V359-L370 WeakPolarHBondContact O-CA 3.4Å; V359-C371 HydrophobicContact CB-CB 4.41Å; V359-C371 PolarHBondContact N-O 3.41Å; V359-C371 PolarHBondContact O-N 2.89Å
360L96.1Very high93.4Very high2 Ų29.6 Ų9.61%0.015%0.054CC..EExtended strand (participates in β ladder)trans-83112.3173.2-172.676.6000108.4G298 A302 M331 A351 K352 L370G298-L360 WeakPolarHBondContact O-CD1 3.1Å; A302-L360 HydrophobicContact CB-CD1 3.69Å; A302-L360 HydrophobicContact CB-CG 4.26Å; M331-L360 HydrophobicContact CE-CD2 4.2Å; A351-L360 CarbonylContact C-O 3.58Å; A351-L360 WeakPolarHBondContact CA-O 3.44Å; K352-L360 PolarHBondContact N-O 3.19Å; K352-L360 PolarHBondContact O-N 3.41Å; L360-L370 HydrophobicContact CB-CD1 4Å; L360-L370 HydrophobicContact CD1-CD1 3.66Å; L360-L370 HydrophobicContact CG-CD1 4.48Å
361L96.3Very high93.4Very high0 Ų09.4 Ų9.40%05%0.053CC..EExtended strand (participates in β ladder)trans-116.6134.3-176.4-177.971.8000110F343 L349 A351 M369 L392F343-L361 HydrophobicContact CE1-CD1 4.48Å; F343-L361 HydrophobicContact CZ-CD1 4.15Å; L349-L361 HydrophobicContact CB-CD1 3.61Å; L349-L361 HydrophobicContact CD1-CD1 3.92Å; L349-L361 HydrophobicContact CD1-CD2 4.12Å; L349-L361 HydrophobicContact CD1-CG 4.3Å; L349-L361 HydrophobicContact CG-CD1 4.42Å; A351-L361 HydrophobicContact CB-CD1 3.79Å; L361-M369 HydrophobicContact CB-CB 4.25Å; L361-M369 HydrophobicContact CD2-CB 4.45Å; L361-M369 HydrophobicContact CD2-SD 4.15Å; L361-M369 PolarHBondContact N-O 3.29Å; L361-M369 PolarHBondContact O-N 3.18Å; L361-M369 VanDerWaalsContact O-O 3.07Å; L361-L392 HydrophobicContact CD2-CD2 4.1Å
362V96.6Very high93.4Very high0 Ų09.4 Ų9.40%05%0.053CC..EExtended strand (participates in β ladder)trans-123128.6179-172.50000109.8A302 L305 A306 L328 M331 P350A302-V362 HydrophobicContact CB-CG2 4.13Å; L305-V362 HydrophobicContact CB-CG1 4.35Å; L305-V362 HydrophobicContact CB-CG2 4.24Å; L305-V362 HydrophobicContact CD1-CG2 4.29Å; A306-V362 HydrophobicContact CB-CG1 3.74Å; L328-V362 HydrophobicContact CD2-CB 3.78Å; L328-V362 HydrophobicContact CD2-CG1 3.64Å; L328-V362 HydrophobicContact CD2-CG2 4.02Å; M331-V362 HydrophobicContact CE-CG2 4.05Å; P350-V362 HydrophobicContact CB-CB 4.5Å; P350-V362 WeakPolarHBondContact CD-O 3.36Å; P350-V362 PolarHBondContact O-N 3.11Å
363V95.3Very high93.3Very high6 Ų69.4 Ų9.44%0.0365%0.053CC..EExtended strand (participates in β ladder)trans-107.799.9168.2-172.10000107.4L349 N365 V366 M367 F398L349-V363 HydrophobicContact CD1-CG2 4.1Å; L349-V363 HydrophobicContact CD2-CB 4.48Å; L349-V363 HydrophobicContact CD2-CG1 4.34Å; L349-V363 HydrophobicContact CD2-CG2 4.03Å; V363-N365 PolarHBondContact O-N 2.88Å; V363-V366 HydrophobicContact CB-CB 4.19Å; V363-V366 HydrophobicContact CG1-CB 3.75Å; V363-V366 HydrophobicContact CG1-CG1 4.47Å; V363-V366 HydrophobicContact CG1-CG2 3.95Å; V363-V366 PolarHBondContact O-N 3.48Å; V363-M367 CarbonylContact C-O 3.41Å; V363-M367 WeakPolarHBondContact CA-O 3.37Å; V363-M367 HydrophobicContact CB-CG 4.04Å; V363-M367 WeakPolarHBondContact CB-O 3.06Å; V363-M367 HydrophobicContact CG2-CE 4.02Å; V363-M367 HydrophobicContact CG2-CG 4.08Å; V363-M367 PolarHBondContact N-O 3.5Å; V363-M367 PolarHBondContact O-N 3.15Å; V363-M367 VanDerWaalsContact O-O 3.08Å; V363-F398 HydrophobicContact CG1-CB 4.24Å; V363-F398 HydrophobicContact CG1-CD1 3.92Å; V363-F398 HydrophobicContact CG1-CG 4.2Å
364P93.3Very high93.2Very high38 Ų389.6 Ų9.625%0.2475%0.054CC..THydrogen-bonded Turntrans-54.2135.9-173.4-25.734.3000112.4L328 P350 V366L328-P364 HydrophobicContact CD1-CG 4.35Å; P350-P364 HydrophobicContact CG-CG 4.35Å; P364-V366 PolarHBondContact O-N 3.15Å; P364-V366 VanDerWaalsContact O-N 3.15Å
365N90.9Very high93.4Very high116 Ų11610 Ų1062%0.626%0.057SC*.THydrogen-bonded Turntrans60.711.4-177.3-50.9-55.2000115.9I139 A306 V363I139-N365 VanDerWaalsContact CD1-O 3.29Å; I139-N365 WeakPolarHBondContact CD1-O 3.47Å; A306-N365 PolarHBondContact O-N 3.11Å; V363-N365 PolarHBondContact O-N 2.88Å
366V92.2Very high93.5Very high2 Ų29.4 Ų9.41%0.0125%0.054CC..THydrogen-bonded Turntrans-126.2-66.3178.7-174.40000111.1I91 T138 I139 V363 P364 F398I91-V366 HydrophobicContact CG1-CG1 4.32Å; T138-V366 WeakPolarHBondContact CA-O 3.22Å; I139-V366 PolarHBondContact N-O 3.36Å; V363-V366 HydrophobicContact CB-CB 4.19Å; V363-V366 HydrophobicContact CG1-CB 3.75Å; V363-V366 HydrophobicContact CG1-CG1 4.47Å; V363-V366 HydrophobicContact CG1-CG2 3.95Å; V363-V366 PolarHBondContact O-N 3.48Å; P364-V366 PolarHBondContact O-N 3.15Å; P364-V366 VanDerWaalsContact O-N 3.15Å; V366-F398 HydrophobicContact CG1-CE1 4.06Å
367M94.7Very high93.7Very high0 Ų011.5 Ų11.50%06%0.064CC..EExtended strand (participates in β ladder)trans-161.2158.9-172.562.4-176.817700113I92 F98 I136 C137 T138 V363 M369 L392 F398I92-M367 HydrophobicContact CD1-SD 4.43Å; F98-M367 HydrophobicContact CE1-SD 4.34Å; F98-M367 HydrophobicContact CZ-CE 3.97Å; F98-M367 HydrophobicContact CZ-SD 3.77Å; I136-M367 HydrophobicContact CG2-CB 4.4Å; I136-M367 HydrophobicContact CG2-SD 3.73Å; C137-M367 CarbonylContact O-C 3.58Å; C137-M367 VanDerWaalsContact O-CA 3.3Å; C137-M367 WeakPolarHBondContact O-CA 3.36Å; C137-M367 WeakPolarHBondContact O-CB 3.23Å; T138-M367 HydrophobicContact CG2-CB 4.22Å; V363-M367 CarbonylContact C-O 3.41Å; V363-M367 WeakPolarHBondContact CA-O 3.37Å; V363-M367 HydrophobicContact CB-CG 4.04Å; V363-M367 WeakPolarHBondContact CB-O 3.06Å; V363-M367 HydrophobicContact CG2-CE 4.02Å; V363-M367 HydrophobicContact CG2-CG 4.08Å; V363-M367 PolarHBondContact N-O 3.5Å; V363-M367 PolarHBondContact O-N 3.15Å; V363-M367 VanDerWaalsContact O-O 3.08Å; M367-M369 HydrophobicContact CE-SD 3.53Å; M367-M369 VanDerWaalsContact CE-SD 3.53Å; M367-M369 HydrophobicContact CG-CG 4.41Å; M367-M369 HydrophobicContact SD-CG 4.33Å; M367-M369 HydrophobicContact SD-SD 4.01Å; M367-L392 HydrophobicContact CE-CD2 4.49Å; M367-F398 HydrophobicContact CE-CD2 3.95Å; M367-F398 HydrophobicContact CE-CE1 4.35Å; M367-F398 HydrophobicContact CE-CE2 3.34Å; M367-F398 HydrophobicContact CE-CZ 3.55Å
368G95.9Very high93.6Very high0 Ų023.7 Ų23.70%011%0.11CC..EExtended strand (participates in β ladder)trans-110.2147.216400000111C137C137-G368 PolarHBondContact N-O 3.22Å; C137-G368 PolarHBondContact O-N 3.05Å
369M95.8Very high93.2Very high0 Ų027.4 Ų27.40%013%0.13CC..EExtended strand (participates in β ladder)trans-136.8147.8-179.2-59.3173.869.900110.2I102 V134 S135 I136 L361 M367 F388 L392I102-M369 HydrophobicContact CD1-CE 4.5Å; V134-M369 HydrophobicContact CG1-CE 4.36Å; S135-M369 CarbonylContact O-C 3.46Å; S135-M369 VanDerWaalsContact O-CA 3.28Å; S135-M369 WeakPolarHBondContact O-CA 3.44Å; I136-M369 HydrophobicContact CB-CG 4.36Å; I136-M369 HydrophobicContact CD1-CE 3.61Å; I136-M369 HydrophobicContact CD1-SD 4.48Å; I136-M369 HydrophobicContact CG1-CE 3.76Å; I136-M369 HydrophobicContact CG1-CG 4.06Å; I136-M369 HydrophobicContact CG1-SD 4.5Å; I136-M369 HydrophobicContact CG2-CG 4.05Å; L361-M369 HydrophobicContact CB-CB 4.25Å; L361-M369 HydrophobicContact CD2-CB 4.45Å; L361-M369 HydrophobicContact CD2-SD 4.15Å; L361-M369 PolarHBondContact N-O 3.29Å; L361-M369 PolarHBondContact O-N 3.18Å; L361-M369 VanDerWaalsContact O-O 3.07Å; M367-M369 HydrophobicContact CE-SD 3.53Å; M367-M369 VanDerWaalsContact CE-SD 3.53Å; M367-M369 HydrophobicContact CG-CG 4.41Å; M367-M369 HydrophobicContact SD-CG 4.33Å; M367-M369 HydrophobicContact SD-SD 4.01Å; M369-F388 HydrophobicContact CE-CE1 3.37Å; M369-F388 HydrophobicContact CE-CZ 3.7Å; M369-L392 HydrophobicContact CE-CD1 4.48Å; M369-L392 HydrophobicContact CE-CD2 4.27Å; M369-L392 HydrophobicContact SD-CD2 3.88Å
370L96.1Very high92.6Very high0 Ų028.2 Ų28.20%014%0.139CC..EExtended strand (participates in β ladder)trans-129.7121.2169.5-167.377.8000108.5S135 F153 C295 V359 L360S135-L370 PolarHBondContact N-O 2.99Å; S135-L370 PolarHBondContact O-N 3.41Å; F153-L370 HydrophobicContact CE1-CD2 4.35Å; F153-L370 HydrophobicContact CZ-CD2 3.63Å; C295-L370 HydrophobicContact CB-CD2 4.46Å; V359-L370 WeakPolarHBondContact O-CA 3.4Å; L360-L370 HydrophobicContact CB-CD1 4Å; L360-L370 HydrophobicContact CD1-CD1 3.66Å; L360-L370 HydrophobicContact CG-CD1 4.48Å
371C95.4Very high92.3Very high0 Ų028.1 Ų28.10%014%0.138CC..EExtended strand (participates in β ladder)trans-105.8139.3172-57.10000108.5W132 G133 V134 A358 V359W132-C371 HydrophobicContact CH2-CB 3.91Å; W132-C371 HydrophobicContact CZ3-CB 4.1Å; G133-C371 CarbonylContact O-C 3.53Å; G133-C371 WeakPolarHBondContact O-CA 3.44Å; V134-C371 HydrophobicContact CG2-CB 4.36Å; A358-C371 CarbonylContact C-O 3.48Å; A358-C371 WeakPolarHBondContact CA-O 3.39Å; V359-C371 HydrophobicContact CB-CB 4.41Å; V359-C371 PolarHBondContact N-O 3.41Å; V359-C371 PolarHBondContact O-N 2.89Å
372W95.1Very high92.2Very high0 Ų028.1 Ų28.10%014%0.138CC..EExtended strand (participates in β ladder)trans-137.4115.1179.6178.459000111.4F127 L131 W132 G133 D148 V151 F153 C295 S356 G357 P374F127-W372 HydrophobicContact CD1-CH2 4.07Å; F127-W372 AromaticContact CD1-CZ2 3.92Å; F127-W372 HydrophobicContact CD1-CZ2 3.92Å; F127-W372 HydrophobicContact CE1-CH2 4.31Å; F127-W372 HydrophobicContact CE1-CZ2 4.14Å; F127-W372 HydrophobicContact CG-CZ2 4.3Å; L131-W372 HydrophobicContact CB-CH2 4.13Å; L131-W372 HydrophobicContact CB-CZ3 4.02Å; L131-W372 HydrophobicContact CD1-CH2 3.69Å; L131-W372 HydrophobicContact CD1-CZ2 4.47Å; L131-W372 HydrophobicContact CD1-CZ3 4.27Å; L131-W372 HydrophobicContact CG-CH2 4.46Å; W132-W372 WeakPolarHBondContact CA-O 2.96Å; G133-W372 PolarHBondContact N-O 3.07Å; G133-W372 PolarHBondContact O-N 3.18Å; D148-W372 HydrophobicContact CB-CZ3 4.44Å; V151-W372 HydrophobicContact CB-CH2 3.96Å; V151-W372 HydrophobicContact CB-CZ3 3.71Å; V151-W372 HydrophobicContact CG1-CH2 3.64Å; V151-W372 HydrophobicContact CG1-CZ3 3.94Å; V151-W372 HydrophobicContact CG2-CZ3 4.34Å; F153-W372 HydrophobicContact CB-CZ2 3.74Å; F153-W372 HydrophobicContact CD1-CB 4.43Å; F153-W372 AromaticContact CD1-CD1 3.82Å; F153-W372 AromaticContact CD1-CD2 3.48Å; F153-W372 HydrophobicContact CD1-CD2 3.48Å; F153-W372 VanDerWaalsContact CD1-CD2 3.48Å; F153-W372 AromaticContact CD1-CE2 3.55Å; F153-W372 HydrophobicContact CD1-CE3 4.01Å; F153-W372 AromaticContact CD1-CG 3.67Å; F153-W372 HydrophobicContact CD1-CG 3.67Å; F153-W372 HydrophobicContact CD1-CH2 4.49Å; F153-W372 HydrophobicContact CD1-CZ2 4.08Å; F153-W372 HydrophobicContact CD1-CZ3 4.48Å; F153-W372 AromaticContact CD1-NE1 3.78Å; F153-W372 AromaticContact CD2-CD1 3.9Å; F153-W372 HydrophobicContact CD2-CG 4.49Å; F153-W372 AromaticContact CD2-NE1 3.88Å; F153-W372 HydrophobicContact CE1-CB 3.79Å; F153-W372 AromaticContact CE1-CD1 3.83Å; F153-W372 AromaticContact CE1-CD2 3.76Å; F153-W372 HydrophobicContact CE1-CD2 3.76Å; F153-W372 HydrophobicContact CE1-CE3 4.31Å; F153-W372 AromaticContact CE1-CG 3.5Å; F153-W372 HydrophobicContact CE1-CG 3.5Å; F153-W372 VanDerWaalsContact CE1-CG 3.5Å; F153-W372 AromaticContact CE2-CD1 3.96Å; F153-W372 HydrophobicContact CE2-CG 4.39Å; F153-W372 AromaticContact CG-CD1 3.84Å; F153-W372 HydrophobicContact CG-CD2 4.07Å; F153-W372 AromaticContact CG-CE2 3.65Å; F153-W372 HydrophobicContact CG-CG 4.17Å; F153-W372 HydrophobicContact CG-CZ2 4.11Å; F153-W372 AromaticContact CG-NE1 3.55Å; F153-W372 HydrophobicContact CZ-CB 4.01Å; F153-W372 AromaticContact CZ-CD1 3.89Å; F153-W372 AromaticContact CZ-CG 3.87Å; F153-W372 HydrophobicContact CZ-CG 3.87Å; C295-W372 VanDerWaalsContact SG-CB 3.58Å; S356-W372 PolarHBondContact O-NE1 3.38Å; G357-W372 WeakPolarHBondContact O-CA 3.46Å; W372-P374 HydrophobicContact CZ2-CG 3.93Å
373S93.5Very high91.9Very high0 Ų029.7 Ų29.70%015%0.148CC..  trans-140.6118.6167.5-152.50000109.8L131 W132 G357 P375 S382 R384L131-S373 PolarHBondContact O-OG 3.01Å; L131-S373 VanDerWaalsContact O-OG 3.12Å; W132-S373 VanDerWaalsContact CE3-CB 3.45Å; G357-S373 CarbonylContact C-O 3.58Å; G357-S373 WeakPolarHBondContact CA-O 3.42Å; G357-S373 PolarHBondContact O-N 3.27Å; S373-P375 VanDerWaalsContact C-CD 3.41Å; S373-S382 VanDerWaalsContact CB-OG 3.29Å; S373-S382 WeakPolarHBondContact CB-OG 3.42Å; S373-S382 PolarHBondContact O-OG 2.77Å; S373-R384 WeakPolarHBondContact OG-CD 3.44Å
374P90.8Very high91.8Very high5 Ų530 Ų303%0.03215%0.148CC..SBendtrans-54.5-35.9-179.3-26.234.3000116.1V117 F127 L131 W372 L376V117-P374 HydrophobicContact CG1-CB 4.35Å; V117-P374 HydrophobicContact CG2-CB 4.24Å; F127-P374 HydrophobicContact CB-CB 4.14Å; F127-P374 HydrophobicContact CB-CG 3.85Å; L131-P374 HydrophobicContact CB-CG 4.23Å; L131-P374 WeakPolarHBondContact O-CD 3.3Å; W372-P374 HydrophobicContact CZ2-CG 3.93Å; P374-L376 PolarHBondContact O-N 3.03Å
375P92.3Very high91.7Very high9 Ų928.2 Ų28.26%0.05814%0.137CC..EExtended strand (participates in β ladder)trans-63.6121.8177.8-24.435.4000113.3V117 P129 S373 V383V117-P375 HydrophobicContact CG2-CG 4.42Å; P129-P375 HydrophobicContact CB-CG 3.93Å; P129-P375 VanDerWaalsContact O-CG 3.31Å; P129-P375 WeakPolarHBondContact O-CG 3.36Å; S373-P375 VanDerWaalsContact C-CD 3.41Å; P375-V383 PolarHBondContact O-N 2.81Å
376L90.9Very high91.8Very high16 Ų1623.4 Ų23.48%0.08411%0.111CC..EExtended strand (participates in β ladder)trans-101.2152.9179.5-54.1-179.6000112.3G115 Q116 A118 I355 P374 N381G115-L376 CarbonylContact C-O 3.44Å; G115-L376 WeakPolarHBondContact CA-O 3.1Å; Q116-L376 PolarHBondContact N-O 2.78Å; Q116-L376 PolarHBondContact O-N 2.89Å; A118-L376 HydrophobicContact CB-CD1 4.12Å; I355-L376 WeakPolarHBondContact O-CD1 3.44Å; P374-L376 PolarHBondContact O-N 3.03Å; L376-N381 CarbonylContact C-O 3.53Å; L376-N381 VanDerWaalsContact CA-O 3.23Å; L376-N381 WeakPolarHBondContact CA-O 3.31Å
377D89.9Confident91.9Very high47 Ų4726.2 Ų26.225%0.25112%0.123SC..  trans-77.3178.2167.272.97.9000111.5L379 G380 N381 V383D377-L379 PolarHBondContact O-N 2.83Å; D377-L379 VanDerWaalsContact O-N 3.14Å; D377-L379 VanDerWaalsContact OD1-C 3.25Å; D377-L379 VanDerWaalsContact OD1-CA 3.29Å; D377-L379 WeakPolarHBondContact OD1-CA 3.39Å; D377-L379 WeakPolarHBondContact OD1-CB 3.26Å; D377-L379 PolarHBondContact OD1-N 2.89Å; D377-G380 PolarHBondContact O-N 2.94Å; D377-G380 PolarHBondContact OD1-N 3.32Å; D377-N381 PolarHBondContact N-O 2.93Å; D377-N381 PolarHBondContact OD1-N 2.99Å; D377-V383 HydrophobicContact CB-CG2 4.04Å
378R86.5Confident91.8Very high256 Ų25626.2 Ų26.297%0.96612%0.123SC*.THydrogen-bonded Turntrans-63.9-16.8177.6-66.4-179179.7163.90.2113.9
379L84.1Confident91.7Very high78 Ų7826.2 Ų26.241%0.40812%0.123SC..THydrogen-bonded Turntrans-98.2-2.8-178.3-57.7178.9000112.1D338 F339 D377D338-L379 HydrophobicContact CB-CD2 4.37Å; F339-L379 HydrophobicContact CB-CD1 3.92Å; F339-L379 HydrophobicContact CD2-CD1 4.26Å; F339-L379 HydrophobicContact CG-CD1 4.45Å; D377-L379 PolarHBondContact O-N 2.83Å; D377-L379 VanDerWaalsContact O-N 3.14Å; D377-L379 VanDerWaalsContact OD1-C 3.25Å; D377-L379 VanDerWaalsContact OD1-CA 3.29Å; D377-L379 WeakPolarHBondContact OD1-CA 3.39Å; D377-L379 WeakPolarHBondContact OD1-CB 3.26Å; D377-L379 PolarHBondContact OD1-N 2.89Å
380G83.3Confident91.5Very high18 Ų1829.7 Ų29.719%0.18614%0.14CC..SBendtrans88.613.9178.200000115Y337 D377Y337-G380 VanDerWaalsContact CE2-O 3.32Å; Y337-G380 WeakPolarHBondContact CE2-O 3.28Å; D377-G380 PolarHBondContact O-N 2.94Å; D377-G380 PolarHBondContact OD1-N 3.32Å
381N90.5Very high91.4Very high0 Ų031.8 Ų31.80%015%0.149CC..SBendtrans-100.3155.6176.1-58-68.4000111.8M336 Y337 F339 S353 L376 D377 V383 I386M336-N381 HydrophobicContact CE-CB 4.35Å; Y337-N381 VanDerWaalsContact CD2-OD1 3.25Å; Y337-N381 WeakPolarHBondContact CD2-OD1 3.48Å; F339-N381 WeakPolarHBondContact CB-ND2 3.41Å; S353-N381 WeakPolarHBondContact CB-OD1 3.48Å; L376-N381 CarbonylContact C-O 3.53Å; L376-N381 VanDerWaalsContact CA-O 3.23Å; L376-N381 WeakPolarHBondContact CA-O 3.31Å; D377-N381 PolarHBondContact N-O 2.93Å; D377-N381 PolarHBondContact OD1-N 2.99Å; N381-V383 PolarHBondContact O-N 2.94Å; N381-I386 HydrophobicContact CB-CD1 3.3Å; N381-I386 HydrophobicContact CB-CG1 4.21Å
382S92.4Very high91.2Very high0 Ų031.8 Ų31.80%015%0.149CC..BIsolated β-bridgetrans-67.8126.3176.2-174.50000112.4G357 S373 G385 I386G357-S382 VanDerWaalsContact O-CB 3.28Å; G357-S382 WeakPolarHBondContact O-CB 3.3Å; G357-S382 PolarHBondContact O-OG 3.4Å; S373-S382 VanDerWaalsContact CB-OG 3.29Å; S373-S382 WeakPolarHBondContact CB-OG 3.42Å; S373-S382 PolarHBondContact O-OG 2.77Å; S382-G385 PolarHBondContact O-N 3.19Å; S382-G385 PolarHBondContact OG-N 2.99Å; S382-I386 WeakPolarHBondContact O-CG1 3.36Å; S382-I386 PolarHBondContact O-N 2.75Å
383V91.4Very high91Very high33 Ų3332 Ų3220%0.215%0.151CC..Hα-helixtrans-63.4-55.3-178.2178.40000111.2P375 D377 N381 G385 I386 H387P375-V383 PolarHBondContact O-N 2.81Å; D377-V383 HydrophobicContact CB-CG2 4.04Å; N381-V383 PolarHBondContact O-N 2.94Å; V383-G385 VanDerWaalsContact C-N 3.31Å; V383-G385 PolarHBondContact O-N 3.36Å; V383-I386 PolarHBondContact O-N 3.44Å; V383-H387 PolarHBondContact O-N 3.35Å; V383-H387 VanDerWaalsContact O-N 3.16Å
384R92.6Very high90.8Very high13 Ų1336.1 Ų36.15%0.04918%0.18CC..Hα-helixtrans-64.6-37.8179-60.4-172-176.3155.9-0.5111.4Q112 D130 W132 S373 H387 F388Q112-R384 HydrophobicContact CB-CG 4.33Å; Q112-R384 PolarHBondContact O-NE 2.84Å; Q112-R384 PolarHBondContact O-NH2 2.85Å; D130-R384 PolarHBondContact O-NH1 3.08Å; D130-R384 VanDerWaalsContact O-NH1 3.1Å; W132-R384 HydrophobicContact CD2-CB 4.07Å; W132-R384 HydrophobicContact CE3-CB 3.82Å; W132-R384 HydrophobicContact CH2-CB 3.82Å; W132-R384 HydrophobicContact CZ2-CB 4.05Å; W132-R384 HydrophobicContact CZ3-CB 3.69Å; S373-R384 WeakPolarHBondContact OG-CD 3.44Å; R384-H387 PolarHBondContact O-N 3Å; R384-F388 WeakPolarHBondContact O-CB 3.27Å; R384-F388 PolarHBondContact O-N 3.3Å
385G92.6Very high90.7Very high0 Ų039.9 Ų39.90%019%0.194CC..Hα-helixtrans-57.6-48.2176.200000113.2S382 V383 C389S382-G385 PolarHBondContact O-N 3.19Å; S382-G385 PolarHBondContact OG-N 2.99Å; V383-G385 VanDerWaalsContact C-N 3.31Å; V383-G385 PolarHBondContact O-N 3.36Å; G385-C389 PolarHBondContact O-N 3.27Å; G385-C389 VanDerWaalsContact O-N 3.11Å; G385-C389 PolarHBondContact O-SG 3.29Å
386I92.3Very high90.5Very high15 Ų1539.6 Ų39.68%0.07719%0.192CC..Hα-helixtrans-66.5-46.2178.4-71168.9000111.3M336 F339 N381 S382 V383 F388 C389 Q390M336-I386 HydrophobicContact CE-CD1 4.41Å; M336-I386 HydrophobicContact CE-CG1 4.05Å; F339-I386 HydrophobicContact CD1-CD1 3.92Å; F339-I386 HydrophobicContact CE1-CD1 3.92Å; F339-I386 HydrophobicContact CE1-CG1 4.3Å; F339-I386 HydrophobicContact CE1-CG2 3.83Å; F339-I386 HydrophobicContact CZ-CG2 4.26Å; N381-I386 HydrophobicContact CB-CD1 3.3Å; N381-I386 HydrophobicContact CB-CG1 4.21Å; S382-I386 WeakPolarHBondContact O-CG1 3.36Å; S382-I386 PolarHBondContact O-N 2.75Å; V383-I386 PolarHBondContact O-N 3.44Å; I386-F388 VanDerWaalsContact C-N 3.3Å; I386-F388 PolarHBondContact O-N 2.91Å; I386-C389 WeakPolarHBondContact O-CB 3.25Å; I386-C389 PolarHBondContact O-N 2.83Å; I386-C389 VanDerWaalsContact O-N 3.1Å; I386-Q390 HydrophobicContact CG2-CG 4.34Å; I386-Q390 WeakPolarHBondContact O-CG 3.47Å; I386-Q390 PolarHBondContact O-N 3.02Å
387H93.1Very high90.3Very high60 Ų6039 Ų3928%0.27819%0.189SC..Hα-helixtrans-56.9-47.2179.9-176.7-79.5000111V383 R384 C389 Q390 E391V383-H387 PolarHBondContact O-N 3.35Å; V383-H387 VanDerWaalsContact O-N 3.16Å; R384-H387 PolarHBondContact O-N 3Å; H387-C389 VanDerWaalsContact C-N 3.33Å; H387-C389 PolarHBondContact O-N 3.33Å; H387-Q390 PolarHBondContact O-N 3.28Å; H387-E391 IonicContact CE1-OE2 3.62Å; H387-E391 IonicContact ND1-OE2 3.83Å; H387-E391 PolarHBondContact O-N 3.15Å
388F94.4Very high90.2Very high0 Ų037.2 Ų37.20%018%0.178CC..Hα-helixtrans-58.9-42.6176.1178.6-88000112.2I102 M105 A109 W132 V134 M369 R384 I386 Q390 E391 L392I102-F388 HydrophobicContact CD1-CZ 4.16Å; I102-F388 HydrophobicContact CG2-CZ 4.38Å; M105-F388 HydrophobicContact CB-CD2 3.95Å; M105-F388 HydrophobicContact CB-CE2 3.7Å; A109-F388 HydrophobicContact CB-CB 4.09Å; W132-F388 HydrophobicContact CH2-CB 4.23Å; W132-F388 HydrophobicContact CZ2-CB 4.08Å; W132-F388 HydrophobicContact CZ2-CD2 4.45Å; W132-F388 HydrophobicContact CZ2-CG 4.36Å; V134-F388 HydrophobicContact CG1-CE1 4.09Å; V134-F388 HydrophobicContact CG1-CE2 4.38Å; V134-F388 HydrophobicContact CG1-CZ 3.86Å; V134-F388 HydrophobicContact CG2-CE2 4.48Å; M369-F388 HydrophobicContact CE-CE1 3.37Å; M369-F388 HydrophobicContact CE-CZ 3.7Å; R384-F388 WeakPolarHBondContact O-CB 3.27Å; R384-F388 PolarHBondContact O-N 3.3Å; I386-F388 VanDerWaalsContact C-N 3.3Å; I386-F388 PolarHBondContact O-N 2.91Å; F388-Q390 PolarHBondContact O-N 3.16Å; F388-E391 PolarHBondContact O-N 2.73Å; F388-L392 WeakPolarHBondContact O-CB 3.42Å; F388-L392 PolarHBondContact O-N 3.2Å
389C93.4Very high90.3Very high0 Ų026.6 Ų26.60%014%0.14CC..Hα-helixtrans-63.8-37.5177.1-66.60000113F343 V347 G385 I386 H387 V393F343-C389 HydrophobicContact CE2-CB 3.97Å; F343-C389 HydrophobicContact CZ-CB 4.17Å; V347-C389 HydrophobicContact CG1-CB 4.2Å; V347-C389 HydrophobicContact CG2-CB 4.48Å; G385-C389 PolarHBondContact O-N 3.27Å; G385-C389 VanDerWaalsContact O-N 3.11Å; G385-C389 PolarHBondContact O-SG 3.29Å; I386-C389 WeakPolarHBondContact O-CB 3.25Å; I386-C389 PolarHBondContact O-N 2.83Å; I386-C389 VanDerWaalsContact O-N 3.1Å; H387-C389 VanDerWaalsContact C-N 3.33Å; H387-C389 PolarHBondContact O-N 3.33Å; C389-V393 PolarHBondContact O-N 3.49Å
390Q92.3Very high90.5Very high74 Ų7426.3 Ų26.335%0.34614%0.139SC..Hα-helixtrans-69.7-41.8178-71175-19.700111.9V347 I386 H387 F388 L392 V393 S394V347-Q390 HydrophobicContact CG2-CG 3.88Å; I386-Q390 HydrophobicContact CG2-CG 4.34Å; I386-Q390 WeakPolarHBondContact O-CG 3.47Å; I386-Q390 PolarHBondContact O-N 3.02Å; H387-Q390 PolarHBondContact O-N 3.28Å; F388-Q390 PolarHBondContact O-N 3.16Å; Q390-L392 VanDerWaalsContact C-N 3.35Å; Q390-V393 PolarHBondContact O-N 3.09Å; Q390-S394 WeakPolarHBondContact O-CB 3.48Å; Q390-S394 PolarHBondContact O-N 2.76Å; Q390-S394 PolarHBondContact O-OG 2.88Å
391E92.1Very high90.6Very high43 Ų4333.9 Ų33.920%0.20116%0.163CC..Hα-helixtrans-64.6-41.5176.4-166.4176.5167.100111.2M105 N108 H387 F388 V393 S394 Y395M105-E391 HydrophobicContact CG-CG 4.01Å; N108-E391 WeakPolarHBondContact CB-OE2 3.32Å; N108-E391 PolarHBondContact ND2-OE1 3.15Å; H387-E391 IonicContact CE1-OE2 3.62Å; H387-E391 IonicContact ND1-OE2 3.83Å; H387-E391 PolarHBondContact O-N 3.15Å; F388-E391 PolarHBondContact O-N 2.73Å; E391-V393 VanDerWaalsContact C-N 3.34Å; E391-V393 PolarHBondContact O-N 2.97Å; E391-S394 PolarHBondContact O-N 3.2Å; E391-Y395 PolarHBondContact O-N 3.23Å
392L91.6Very high90.3Very high0 Ų036.2 Ų36.20%018%0.175CC..Hα-helixtrans-54.8-47.4176.6-17278.3000111.9I102 M105 L361 M367 M369 F388 Q390 F396 F398I102-L392 HydrophobicContact CD1-CD1 3.73Å; M105-L392 HydrophobicContact SD-CD1 3.99Å; L361-L392 HydrophobicContact CD2-CD2 4.1Å; M367-L392 HydrophobicContact CE-CD2 4.49Å; M369-L392 HydrophobicContact CE-CD1 4.48Å; M369-L392 HydrophobicContact CE-CD2 4.27Å; M369-L392 HydrophobicContact SD-CD2 3.88Å; F388-L392 WeakPolarHBondContact O-CB 3.42Å; F388-L392 PolarHBondContact O-N 3.2Å; Q390-L392 VanDerWaalsContact C-N 3.35Å; L392-F396 HydrophobicContact CD1-CD2 3.63Å; L392-F396 HydrophobicContact CD1-CE2 3.89Å; L392-F396 HydrophobicContact CG-CD2 4.2Å; L392-F396 WeakPolarHBondContact O-CB 3.4Å; L392-F396 PolarHBondContact O-N 3.38Å; L392-F398 HydrophobicContact CD1-CD2 4.45Å; L392-F398 HydrophobicContact CD1-CE2 4.31Å; L392-F398 HydrophobicContact CD2-CD2 4.15Å; L392-F398 HydrophobicContact CG-CD2 4.02Å; L392-F398 HydrophobicContact CG-CE2 4.37Å
393V90.7Very high89.7Confident5 Ų540 Ų403%0.0320%0.196CC..Hα-helixtrans-80.2-19.8-178.3175.40000113.2V347 L349 C389 Q390 E391 F396 H399 K410V347-V393 HydrophobicContact CG1-CG2 3.64Å; L349-V393 HydrophobicContact CD1-CG2 3.8Å; L349-V393 HydrophobicContact CG-CG2 4.35Å; C389-V393 PolarHBondContact O-N 3.49Å; Q390-V393 PolarHBondContact O-N 3.09Å; E391-V393 VanDerWaalsContact C-N 3.34Å; E391-V393 PolarHBondContact O-N 2.97Å; V393-F396 CarbonylContact C-O 3.59Å; V393-H399 HydrophobicContact CG1-CB 3.76Å; V393-K410 WeakPolarHBondContact O-CE 3.5Å; V393-K410 PolarHBondContact O-NZ 3.11Å
394S88.9Confident89Confident87 Ų8742.7 Ų42.761%0.60821%0.208SC*.Hα-helixtrans-72.3-38.3172.7-61.60000111.1Q390 E391Q390-S394 WeakPolarHBondContact O-CB 3.48Å; Q390-S394 PolarHBondContact O-N 2.76Å; Q390-S394 PolarHBondContact O-OG 2.88Å; E391-S394 PolarHBondContact O-N 3.2Å
395Y89Confident87.8Confident84 Ų8451.6 Ų51.633%0.32924%0.242SC..Hα-helixtrans-86.9-46.2179.3-171.9-94000113Q101 M105 E391 H411Q101-Y395 HydrophobicContact CB-CE1 4.32Å; Q101-Y395 HydrophobicContact CG-CE1 3.94Å; M105-Y395 VanDerWaalsContact CE-CB 3.45Å; M105-Y395 HydrophobicContact CE-CD1 3.66Å; M105-Y395 HydrophobicContact CE-CG 3.63Å; E391-Y395 PolarHBondContact O-N 3.23Å; Y395-H411 HydrophobicContact CD1-CB 4.4Å; Y395-H411 HydrophobicContact CE1-CB 3.94Å; Y395-H411 PolarHBondContact O-N 3.4Å
396F88.3Confident86.4Confident2 Ų257.5 Ų57.51%0.00927%0.269CS..BIsolated β-bridgetrans-100.4152.9-178.3-61.8-68.2000113F98 Q101 I102 M105 L392 V393 F398 H411 P413F98-F396 AromaticContact CD2-CE1 3.96Å; F98-F396 HydrophobicContact CD2-CE1 3.96Å; F98-F396 HydrophobicContact CD2-CE2 4.21Å; F98-F396 AromaticContact CD2-CZ 3.55Å; F98-F396 HydrophobicContact CD2-CZ 3.55Å; F98-F396 HydrophobicContact CE2-CD2 4.48Å; F98-F396 HydrophobicContact CE2-CE1 4.18Å; F98-F396 AromaticContact CE2-CE2 3.8Å; F98-F396 HydrophobicContact CE2-CE2 3.8Å; F98-F396 AromaticContact CE2-CZ 3.63Å; F98-F396 HydrophobicContact CE2-CZ 3.63Å; Q101-F396 HydrophobicContact CB-CZ 4.14Å; I102-F396 HydrophobicContact CD1-CE2 4.36Å; M105-F396 HydrophobicContact CE-CD2 3.98Å; M105-F396 HydrophobicContact CE-CE2 3.57Å; M105-F396 HydrophobicContact CE-CZ 4.37Å; M105-F396 HydrophobicContact SD-CE2 4.19Å; L392-F396 HydrophobicContact CD1-CD2 3.63Å; L392-F396 HydrophobicContact CD1-CE2 3.89Å; L392-F396 HydrophobicContact CG-CD2 4.2Å; L392-F396 WeakPolarHBondContact O-CB 3.4Å; L392-F396 PolarHBondContact O-N 3.38Å; V393-F396 CarbonylContact C-O 3.59Å; F396-F398 HydrophobicContact CB-CD2 3.35Å; F396-F398 HydrophobicContact CB-CE2 3.4Å; F396-F398 HydrophobicContact CB-CG 3.98Å; F396-F398 HydrophobicContact CB-CZ 4.08Å; F396-F398 HydrophobicContact CD1-CE2 4.28Å; F396-F398 HydrophobicContact CD2-CD2 4.13Å; F396-F398 AromaticContact CD2-CE2 3.62Å; F396-F398 HydrophobicContact CD2-CE2 3.62Å; F396-F398 HydrophobicContact CE2-CE2 4.43Å; F396-F398 AromaticContact CG-CD2 3.98Å; F396-F398 HydrophobicContact CG-CD2 3.98Å; F396-F398 AromaticContact CG-CE2 3.52Å; F396-F398 HydrophobicContact CG-CE2 3.52Å; F396-F398 HydrophobicContact CG-CZ 4.15Å; F396-F398 PolarHBondContact O-N 3.4Å; F396-H411 WeakPolarHBondContact CA-O 3.37Å; F396-H411 HydrophobicContact CD1-CB 4.2Å; F396-H411 HydrophobicContact CE1-CB 4.45Å; F396-P413 HydrophobicContact CD1-CG 3.94Å; F396-P413 HydrophobicContact CE1-CB 4.33Å; F396-P413 HydrophobicContact CE1-CG 4.16Å
397N87.4Confident85Confident4 Ų459.5 Ų59.52%0.02128%0.278CS..SBendtrans-8346.6176.770.9-21.4000113.6F407 H411 D412 R414N397-F407 HydrophobicContact CB-CE1 3.83Å; N397-F407 HydrophobicContact CB-CZ 4.28Å; N397-F407 WeakPolarHBondContact ND2-CZ 3.39Å; N397-H411 PolarHBondContact N-O 3.38Å; N397-H411 PolarHBondContact OD1-O 2.97Å; N397-D412 WeakPolarHBondContact ND2-CB 3.42Å; N397-D412 PolarHBondContact ND2-OD2 3.41Å; N397-D412 WeakPolarHBondContact OD1-CA 3.5Å; N397-D412 WeakPolarHBondContact OD1-CB 3.47Å; N397-D412 VanDerWaalsContact OD1-CG 3.28Å; N397-D412 PolarHBondContact OD1-OD1 3.1Å; N397-R414 PolarHBondContact ND2-NH2 3.44Å; N397-R414 PolarHBondContact OD1-NH2 2.62Å
398F88.1Confident83.3Confident9 Ų963.3 Ų63.34%0.03931%0.305CS..  trans-88.7-7.3-179.2-63.5-43000114.3F98 L349 V363 V366 M367 L392 F396 N400 P413F98-F398 HydrophobicContact CE2-CE2 4.35Å; F98-F398 HydrophobicContact CE2-CZ 4.28Å; L349-F398 HydrophobicContact CD1-CB 4.42Å; L349-F398 HydrophobicContact CD2-CB 4.39Å; L349-F398 WeakPolarHBondContact CD2-O 3.37Å; V363-F398 HydrophobicContact CG1-CB 4.24Å; V363-F398 HydrophobicContact CG1-CD1 3.92Å; V363-F398 HydrophobicContact CG1-CG 4.2Å; V366-F398 HydrophobicContact CG1-CE1 4.06Å; M367-F398 HydrophobicContact CE-CD2 3.95Å; M367-F398 HydrophobicContact CE-CE1 4.35Å; M367-F398 HydrophobicContact CE-CE2 3.34Å; M367-F398 HydrophobicContact CE-CZ 3.55Å; L392-F398 HydrophobicContact CD1-CD2 4.45Å; L392-F398 HydrophobicContact CD1-CE2 4.31Å; L392-F398 HydrophobicContact CD2-CD2 4.15Å; L392-F398 HydrophobicContact CG-CD2 4.02Å; L392-F398 HydrophobicContact CG-CE2 4.37Å; F396-F398 HydrophobicContact CB-CD2 3.35Å; F396-F398 HydrophobicContact CB-CE2 3.4Å; F396-F398 HydrophobicContact CB-CG 3.98Å; F396-F398 HydrophobicContact CB-CZ 4.08Å; F396-F398 HydrophobicContact CD1-CE2 4.28Å; F396-F398 HydrophobicContact CD2-CD2 4.13Å; F396-F398 AromaticContact CD2-CE2 3.62Å; F396-F398 HydrophobicContact CD2-CE2 3.62Å; F396-F398 HydrophobicContact CE2-CE2 4.43Å; F396-F398 AromaticContact CG-CD2 3.98Å; F396-F398 HydrophobicContact CG-CD2 3.98Å; F396-F398 AromaticContact CG-CE2 3.52Å; F396-F398 HydrophobicContact CG-CE2 3.52Å; F396-F398 HydrophobicContact CG-CZ 4.15Å; F396-F398 PolarHBondContact O-N 3.4Å; F398-N400 PolarHBondContact O-N 3.3Å; F398-P413 HydrophobicContact CE1-CG 3.68Å; F398-P413 HydrophobicContact CE2-CG 4.34Å; F398-P413 HydrophobicContact CZ-CG 3.32Å
399H89Confident82.2Confident34 Ų3473 Ų7316%0.15735%0.347CS..SBendtrans-59133176.3-161.2-68.9000110.1F345 V347 V393 Y401 D402F345-H399 PolarHBondContact O-NE2 2.96Å; V347-H399 VanDerWaalsContact C-CD2 3.47Å; V347-H399 PolarHBondContact O-CD2 3.45Å; V393-H399 HydrophobicContact CG1-CB 3.76Å; H399-Y401 AromaticContact CE1-CD2 3.82Å; H399-Y401 PolarHBondContact ND1-N 3.29Å; H399-Y401 PolarHBondContact O-N 3.41Å; H399-D402 HydrophobicContact CB-CB 4.05Å; H399-D402 WeakPolarHBondContact O-CB 3.27Å; H399-D402 PolarHBondContact O-N 3.37Å
400N86.6Confident81.6Confident71 Ų7176.3 Ų76.338%0.3836%0.362SS..THydrogen-bonded Turntrans-57.3-18-177.7-82-6.8000115G348 F398G348-N400 VanDerWaalsContact O-CB 3.22Å; G348-N400 WeakPolarHBondContact O-CB 3.47Å; G348-N400 PolarHBondContact O-N 3.02Å; G348-N400 PolarHBondContact O-ND2 3.18Å; G348-N400 PolarHBondContact O-OD1 3.2Å; F398-N400 PolarHBondContact O-N 3.3Å
401Y86.3Confident81Confident178 Ų17876.6 Ų76.670%0.69836%0.363SS*.THydrogen-bonded Turntrans-118.512.9-177.2-57.5-65.5000111.9H399H399-Y401 AromaticContact CE1-CD2 3.82Å; H399-Y401 PolarHBondContact ND1-N 3.29Å; H399-Y401 PolarHBondContact O-N 3.41Å
402D83.9Confident80.5Confident48 Ų4875.4 Ų75.426%0.25736%0.358SS..  trans-71.6150172.3-134.9-33.9000110.3H399 K410H399-D402 HydrophobicContact CB-CB 4.05Å; H399-D402 WeakPolarHBondContact O-CB 3.27Å; H399-D402 PolarHBondContact O-N 3.37Å; D402-K410 WeakPolarHBondContact OD2-CD 3.04Å; D402-K410 IonicContact OD2-NZ 3.87Å; D402-K410 PolarHBondContact OD2-NZ 2.83Å
403N79.8Confident80Confident80 Ų8075.9 Ų75.943%0.42836%0.361SS..  trans-69.9154.7174.8-161.6-57.9000109R405 H406 F407N403-R405 PolarHBondContact OD1-N 3.43Å; N403-H406 PolarHBondContact OD1-N 3.46Å; N403-F407 WeakPolarHBondContact O-CE1 3.33Å; N403-F407 WeakPolarHBondContact O-CZ 3.44Å
404L76.3Confident79.5Confident89 Ų8979.2 Ų79.247%0.46637%0.373SS..SBendtrans-104.4-4.6173.8-66.7-174.9000114.1F407 R415L404-F407 VanDerWaalsContact CA-CZ 3.44Å; L404-F407 VanDerWaalsContact O-CE2 3.28Å; L404-F407 WeakPolarHBondContact O-CE2 3.27Å; L404-R415 PolarHBondContact O-NH2 3.1Å
405R67.1Low78.8Confident201 Ų20178.7 Ų78.776%0.75836%0.358SS*.SBendtrans-121.6-40.9-167.9-68.5-173174.4-173.9-1.1114.4N403N403-R405 PolarHBondContact OD1-N 3.43Å
406H64.5Low77.8Confident123 Ų12379.5 Ų79.557%0.56936%0.36SS*.  trans-115.7107.2-174.5-58.6-68.9000109.7N403N403-H406 PolarHBondContact OD1-N 3.46Å
407F62Low76.2Confident58 Ų5882.2 Ų82.225%0.25438%0.377SS..  trans-129.5138.1-178.3-52-77.9000110.8N397 N403 L404N397-F407 HydrophobicContact CB-CE1 3.83Å; N397-F407 HydrophobicContact CB-CZ 4.28Å; N397-F407 WeakPolarHBondContact ND2-CZ 3.39Å; N403-F407 WeakPolarHBondContact O-CE1 3.33Å; N403-F407 WeakPolarHBondContact O-CZ 3.44Å; L404-F407 VanDerWaalsContact CA-CZ 3.44Å; L404-F407 VanDerWaalsContact O-CE2 3.28Å; L404-F407 WeakPolarHBondContact O-CE2 3.27Å
408T58Low74.5Confident139 Ų13987.6 Ų87.685%0.85341%0.406SS*.SBendtrans-97.5-25.3175.646.80000112.9
409K70.7Confident72.9Confident204 Ų20490.4 Ų90.489%0.88742%0.421SS*.SBendtrans-153.7-11.1-177.4-63.4-171-179.1179.50118.5
410K80.2Confident71.6Confident70 Ų7091.9 Ų91.930%0.30443%0.43SS..  trans-86.9147.8-175.7-65.8-169.5-178.3-171.90112.3V393 D402V393-K410 WeakPolarHBondContact O-CE 3.5Å; V393-K410 PolarHBondContact O-NZ 3.11Å; D402-K410 WeakPolarHBondContact OD2-CD 3.04Å; D402-K410 IonicContact OD2-NZ 3.87Å; D402-K410 PolarHBondContact OD2-NZ 2.83Å
411H79.7Confident70.4Confident80 Ų8091.8 Ų91.837%0.3743%0.433SS..BIsolated β-bridgetrans-93.6136.1-179.9-166.6-80.4000111.6Y395 F396 N397Y395-H411 HydrophobicContact CD1-CB 4.4Å; Y395-H411 HydrophobicContact CE1-CB 3.94Å; Y395-H411 PolarHBondContact O-N 3.4Å; F396-H411 WeakPolarHBondContact CA-O 3.37Å; F396-H411 HydrophobicContact CD1-CB 4.2Å; F396-H411 HydrophobicContact CE1-CB 4.45Å; N397-H411 PolarHBondContact N-O 3.38Å; N397-H411 PolarHBondContact OD1-O 2.97Å
412D82.3Confident69.5Low18 Ų1887.8 Ų87.810%0.09642%0.424CS..  trans-107.3107.3171-166.7-22.9000110.4N397 R414 R415N397-D412 WeakPolarHBondContact ND2-CB 3.42Å; N397-D412 PolarHBondContact ND2-OD2 3.41Å; N397-D412 WeakPolarHBondContact OD1-CA 3.5Å; N397-D412 WeakPolarHBondContact OD1-CB 3.47Å; N397-D412 VanDerWaalsContact OD1-CG 3.28Å; N397-D412 PolarHBondContact OD1-OD1 3.1Å; D412-R414 PolarHBondContact O-N 3.4Å; D412-R414 WeakPolarHBondContact OD1-CB 3.36Å; D412-R414 WeakPolarHBondContact OD1-CG 3.34Å; D412-R414 IonicContact OD1-CZ 3.62Å; D412-R414 PolarHBondContact OD1-N 3Å; D412-R414 IonicContact OD1-NE 3.76Å; D412-R414 PolarHBondContact OD1-NE 2.79Å; D412-R414 IonicContact OD1-NH2 2.72Å; D412-R414 PolarHBondContact OD1-NH2 2.98Å; D412-R414 IonicContact OD2-CZ 3.98Å; D412-R414 IonicContact OD2-NE 3.38Å; D412-R414 PolarHBondContact OD2-NE 3.16Å; D412-R414 IonicContact OD2-NH2 2.82Å; D412-R414 PolarHBondContact OD2-NH2 3.19Å; D412-R415 HydrophobicContact CB-CG 4.14Å; D412-R415 PolarHBondContact O-N 3.43Å
413P80.9Confident69Low9 Ų991 Ų916%0.05844%0.436CS..THydrogen-bonded Turntrans-74.1-5-179.329.5-29.1000113.2I92 P93 F98 F396 F398I92-P413 HydrophobicContact CG1-CB 4.4Å; I92-P413 HydrophobicContact CG2-CB 4.31Å; P93-P413 VanDerWaalsContact CD-O 3.23Å; P93-P413 WeakPolarHBondContact CD-O 3.42Å; F98-P413 HydrophobicContact CD2-CB 4Å; F98-P413 HydrophobicContact CD2-CG 4.33Å; F98-P413 HydrophobicContact CE2-CG 4.39Å; F396-P413 HydrophobicContact CD1-CG 3.94Å; F396-P413 HydrophobicContact CE1-CB 4.33Å; F396-P413 HydrophobicContact CE1-CG 4.16Å; F398-P413 HydrophobicContact CE1-CG 3.68Å; F398-P413 HydrophobicContact CE2-CG 4.34Å; F398-P413 HydrophobicContact CZ-CG 3.32Å
414R80.1Confident68.9Low75 Ų7589 Ų8928%0.28343%0.429SS..THydrogen-bonded Turntrans-79.8-20.9172.9-59.2168-69.7-156.4-10113.1I91 N397 D412I91-R414 HydrophobicContact CD1-CG 4.07Å; I91-R414 HydrophobicContact CG1-CG 4.23Å; I91-R414 VanDerWaalsContact O-CA 3.25Å; I91-R414 WeakPolarHBondContact O-CA 3.39Å; N397-R414 PolarHBondContact ND2-NH2 3.44Å; N397-R414 PolarHBondContact OD1-NH2 2.62Å; D412-R414 PolarHBondContact O-N 3.4Å; D412-R414 WeakPolarHBondContact OD1-CB 3.36Å; D412-R414 WeakPolarHBondContact OD1-CG 3.34Å; D412-R414 IonicContact OD1-CZ 3.62Å; D412-R414 PolarHBondContact OD1-N 3Å; D412-R414 IonicContact OD1-NE 3.76Å; D412-R414 PolarHBondContact OD1-NE 2.79Å; D412-R414 IonicContact OD1-NH2 2.72Å; D412-R414 PolarHBondContact OD1-NH2 2.98Å; D412-R414 IonicContact OD2-CZ 3.98Å; D412-R414 IonicContact OD2-NE 3.38Å; D412-R414 PolarHBondContact OD2-NE 3.16Å; D412-R414 IonicContact OD2-NH2 2.82Å; D412-R414 PolarHBondContact OD2-NH2 3.19Å
415R74.3Confident69.2Low77 Ų7785.1 Ų85.129%0.29141%0.408SS..SBendtrans-83.3146.7177.3-64.6-175.3178.3-160.3-4.1109.2L404 D412 D420L404-R415 PolarHBondContact O-NH2 3.1Å; D412-R415 HydrophobicContact CB-CG 4.14Å; D412-R415 PolarHBondContact O-N 3.43Å; R415-D420 WeakPolarHBondContact CD-OD2 3.37Å; R415-D420 IonicContact CZ-OD1 3.67Å; R415-D420 IonicContact CZ-OD2 3.18Å; R415-D420 IonicContact NE-OD2 2.82Å; R415-D420 IonicContact NH1-OD1 2.77Å; R415-D420 PolarHBondContact NH1-OD1 3.46Å; R415-D420 IonicContact NH1-OD2 2.64Å; R415-D420 PolarHBondContact NH1-OD2 2.8Å
416R67.3Low69.9Low100 Ų10079.6 Ų79.638%0.37740%0.397SS..  trans-74.1130.6171.9-66.1174.7174.1-166-8.4107.8R87 K88 P93 D418 D419R87-R416 PolarHBondContact O-NH2 2.51Å; K88-R416 PolarHBondContact O-NE 3.25Å; K88-R416 PolarHBondContact O-NH2 3.43Å; P93-R416 HydrophobicContact CB-CG 4.08Å; P93-R416 HydrophobicContact CG-CG 3.91Å; R416-D418 PolarHBondContact O-N 2.95Å; R416-D419 HydrophobicContact CB-CB 4.18Å; R416-D419 PolarHBondContact O-N 3.01Å
417T56Low71Confident60 Ų6077.4 Ų77.437%0.36839%0.389SS..THydrogen-bonded Turntrans-55.1-34.2179.844.10000112.7D94 D419D94-T417 HydrophobicContact CB-CG2 4.44Å; D94-T417 WeakPolarHBondContact OD2-CB 3.31Å; D94-T417 VanDerWaalsContact OD2-CG2 3.32Å; D94-T417 WeakPolarHBondContact OD2-CG2 3.33Å; D94-T417 PolarHBondContact OD2-N 2.86Å; D94-T417 PolarHBondContact OD2-OG1 3.34Å; T417-D419 VanDerWaalsContact C-N 3.32Å; T417-D419 PolarHBondContact O-N 2.94Å
418D51.5Low72.2Confident117 Ų11774.7 Ų74.763%0.62638%0.377SS*.THydrogen-bonded Turntrans-72.6-18.3177.2-70.3-35.5000114.7R416R416-D418 PolarHBondContact O-N 2.95Å
419D54.3Low73.6Confident68 Ų6868.8 Ų68.836%0.36434%0.34SS..THydrogen-bonded Turntrans-91.5-29.3-170.1-91.3-39.5000113.6R416 T417 K423R416-D419 HydrophobicContact CB-CB 4.18Å; R416-D419 PolarHBondContact O-N 3.01Å; T417-D419 VanDerWaalsContact C-N 3.32Å; T417-D419 PolarHBondContact O-N 2.94Å; D419-K423 WeakPolarHBondContact O-CB 3.46Å; D419-K423 PolarHBondContact O-N 2.85Å; D419-K423 VanDerWaalsContact O-N 3.11Å
420D61.5Low74.5Confident64 Ų6465.3 Ų65.334%0.34233%0.325SS..Hα-helixtrans-78.6-53.1-163.8-133.4-11000115.4R415 S424R415-D420 WeakPolarHBondContact CD-OD2 3.37Å; R415-D420 IonicContact CZ-OD1 3.67Å; R415-D420 IonicContact CZ-OD2 3.18Å; R415-D420 IonicContact NE-OD2 2.82Å; R415-D420 IonicContact NH1-OD1 2.77Å; R415-D420 PolarHBondContact NH1-OD1 3.46Å; R415-D420 IonicContact NH1-OD2 2.64Å; R415-D420 PolarHBondContact NH1-OD2 2.8Å; D420-S424 VanDerWaalsContact O-CB 3.29Å; D420-S424 WeakPolarHBondContact O-CB 3.31Å; D420-S424 PolarHBondContact O-N 2.78Å; D420-S424 PolarHBondContact O-OG 3.31Å
421P60.8Low75Confident69 Ų6962.3 Ų62.345%0.44831%0.313SS..Hα-helixtrans-72.2-50.2176.325.7-28.9000110.4K423 S424 V425P421-K423 PolarHBondContact O-N 3.1Å; P421-S424 PolarHBondContact O-N 3.38Å; P421-V425 WeakPolarHBondContact O-CB 3.46Å; P421-V425 WeakPolarHBondContact O-CG2 3.21Å; P421-V425 PolarHBondContact O-N 3.04Å
422N68.5Low75.4Confident95 Ų9558.5 Ų58.551%0.50830%0.296SS..Hα-helixtrans-63.7-37.6-174.5-71.6-21.6000112.9V426N422-V426 VanDerWaalsContact O-CB 3.27Å; N422-V426 WeakPolarHBondContact O-CB 3.22Å; N422-V426 WeakPolarHBondContact O-CG2 3.4Å; N422-V426 PolarHBondContact O-N 2.86Å
423K74.3Confident75.8Confident114 Ų11464.8 Ų64.850%0.49632%0.319SS..Hα-helixtrans-73.7-36.4177.5-165.1176.7-174.1168.70112D419 P421 V425 V426 N427D419-K423 WeakPolarHBondContact O-CB 3.46Å; D419-K423 PolarHBondContact O-N 2.85Å; D419-K423 VanDerWaalsContact O-N 3.11Å; P421-K423 PolarHBondContact O-N 3.1Å; K423-V425 VanDerWaalsContact C-N 3.35Å; K423-V426 PolarHBondContact O-N 3.18Å; K423-N427 VanDerWaalsContact O-CB 3.24Å; K423-N427 WeakPolarHBondContact O-CB 3.27Å; K423-N427 PolarHBondContact O-N 2.97Å; K423-N427 PolarHBondContact O-ND2 2.57Å; K423-N427 VanDerWaalsContact O-ND2 3.13Å
424S76.6Confident76.3Confident40 Ų4067.2 Ų67.228%0.2834%0.337SS..Hα-helixtrans-63.4-44173.4-61.60000110.6D420 P421 N427 L428D420-S424 VanDerWaalsContact O-CB 3.29Å; D420-S424 WeakPolarHBondContact O-CB 3.31Å; D420-S424 PolarHBondContact O-N 2.78Å; D420-S424 PolarHBondContact O-OG 3.31Å; P421-S424 PolarHBondContact O-N 3.38Å; S424-N427 PolarHBondContact O-N 3.49Å; S424-L428 WeakPolarHBondContact O-CB 3.24Å; S424-L428 PolarHBondContact O-N 2.96Å
425V81.8Confident76.7Confident6 Ų664.7 Ų64.74%0.03633%0.334CS..Hα-helixtrans-60.2-51.3172.2175.10000110.8P421 K423 N427 L428 M429 Q452 D454P421-V425 WeakPolarHBondContact O-CB 3.46Å; P421-V425 WeakPolarHBondContact O-CG2 3.21Å; P421-V425 PolarHBondContact O-N 3.04Å; K423-V425 VanDerWaalsContact C-N 3.35Å; V425-N427 VanDerWaalsContact C-N 3.31Å; V425-N427 PolarHBondContact O-N 3Å; V425-L428 CarbonylContact O-C 2.96Å; V425-L428 WeakPolarHBondContact O-CA 3.47Å; V425-L428 WeakPolarHBondContact O-CB 3.46Å; V425-L428 PolarHBondContact O-N 2.92Å; V425-L428 VanDerWaalsContact O-N 3.1Å; V425-M429 HydrophobicContact CG1-CE 3.79Å; V425-M429 HydrophobicContact CG1-CG 4.18Å; V425-M429 VanDerWaalsContact O-CG 3.25Å; V425-M429 WeakPolarHBondContact O-CG 3.36Å; V425-M429 PolarHBondContact O-N 2.91Å; V425-Q452 HydrophobicContact CG2-CB 3.64Å; V425-Q452 HydrophobicContact CG2-CG 4.37Å; V425-D454 HydrophobicContact CG1-CB 4.38Å
426V83.6Confident77.5Confident86 Ų8664.2 Ų64.252%0.52134%0.337SS..Hα-helixtrans-60.4-41.3179.8167.80000111.3N422 K423 M429 F430N422-V426 VanDerWaalsContact O-CB 3.27Å; N422-V426 WeakPolarHBondContact O-CB 3.22Å; N422-V426 WeakPolarHBondContact O-CG2 3.4Å; N422-V426 PolarHBondContact O-N 2.86Å; K423-V426 PolarHBondContact O-N 3.18Å; V426-M429 PolarHBondContact O-N 3.28Å; V426-F430 VanDerWaalsContact O-CB 3.31Å; V426-F430 WeakPolarHBondContact O-CB 3.25Å; V426-F430 PolarHBondContact O-N 3.37Å
427N85.8Confident78.5Confident77 Ų7760.7 Ų60.741%0.41233%0.326SS..Hα-helixtrans-66-38.3175.8-70-23.3000111.8K423 S424 V425 F430 A431 F443K423-N427 VanDerWaalsContact O-CB 3.24Å; K423-N427 WeakPolarHBondContact O-CB 3.27Å; K423-N427 PolarHBondContact O-N 2.97Å; K423-N427 PolarHBondContact O-ND2 2.57Å; K423-N427 VanDerWaalsContact O-ND2 3.13Å; S424-N427 PolarHBondContact O-N 3.49Å; V425-N427 VanDerWaalsContact C-N 3.31Å; V425-N427 PolarHBondContact O-N 3Å; N427-F430 PolarHBondContact O-N 3.4Å; N427-A431 PolarHBondContact O-N 3.33Å; N427-F443 HydrophobicContact CB-CZ 4.01Å
428L87.8Confident80.1Confident0 Ų061.9 Ų61.90%034%0.336CS..Hα-helixtrans-63.6-46.5173.7179.169.3000111S424 V425 F430 A431 A432 L440 F443 M450 A460S424-L428 WeakPolarHBondContact O-CB 3.24Å; S424-L428 PolarHBondContact O-N 2.96Å; V425-L428 CarbonylContact O-C 2.96Å; V425-L428 WeakPolarHBondContact O-CA 3.47Å; V425-L428 WeakPolarHBondContact O-CB 3.46Å; V425-L428 PolarHBondContact O-N 2.92Å; V425-L428 VanDerWaalsContact O-N 3.1Å; L428-F430 VanDerWaalsContact C-N 3.33Å; L428-F430 PolarHBondContact O-N 2.83Å; L428-A431 WeakPolarHBondContact O-CB 3.33Å; L428-A431 PolarHBondContact O-N 3.49Å; L428-A432 PolarHBondContact O-N 3.09Å; L428-L440 HydrophobicContact CD1-CD2 3.61Å; L428-F443 HydrophobicContact CD1-CB 3.96Å; L428-F443 HydrophobicContact CD1-CD2 3.89Å; L428-F443 HydrophobicContact CD1-CG 4.08Å; L428-M450 HydrophobicContact CD1-CE 4.04Å; L428-M450 HydrophobicContact CD1-SD 3.53Å; L428-M450 VanDerWaalsContact CD1-SD 3.53Å; L428-M450 HydrophobicContact CD2-SD 3.86Å; L428-M450 HydrophobicContact CG-SD 4.32Å; L428-A460 HydrophobicContact CD2-CB 4.35Å; L428-A460 HydrophobicContact CG-CB 4.27Å
429M87.8Confident81.8Confident15 Ų1556.7 Ų56.77%0.07431%0.31CS..Hα-helixtrans-63.5-39.1176.7-64-55.1167.100111.6V425 V426 A431 A432 Y433 Q452 D454 R458 T459 A460 V463V425-M429 HydrophobicContact CG1-CE 3.79Å; V425-M429 HydrophobicContact CG1-CG 4.18Å; V425-M429 VanDerWaalsContact O-CG 3.25Å; V425-M429 WeakPolarHBondContact O-CG 3.36Å; V425-M429 PolarHBondContact O-N 2.91Å; V426-M429 PolarHBondContact O-N 3.28Å; M429-A431 VanDerWaalsContact C-N 3.35Å; M429-A432 WeakPolarHBondContact O-CB 3.19Å; M429-A432 PolarHBondContact O-N 3.26Å; M429-Y433 WeakPolarHBondContact O-CB 3.25Å; M429-Y433 PolarHBondContact O-N 3.35Å; M429-Q452 VanDerWaalsContact CE-O 3.31Å; M429-Q452 WeakPolarHBondContact CE-O 3.44Å; M429-D454 HydrophobicContact CE-CB 4.37Å; M429-D454 HydrophobicContact CG-CB 4.38Å; M429-R458 VanDerWaalsContact CE-O 3.23Å; M429-R458 WeakPolarHBondContact CE-O 3.42Å; M429-T459 VanDerWaalsContact SD-C 3.57Å; M429-A460 WeakPolarHBondContact SD-CA 3.37Å; M429-A460 HydrophobicContact SD-CB 4.14Å; M429-A460 PolarHBondContact SD-N 3.26Å; M429-A460 VanDerWaalsContact SD-N 3.38Å; M429-V463 HydrophobicContact CB-CG2 4.49Å; M429-V463 HydrophobicContact SD-CG2 3.84Å
430F88.9Confident83.4Confident132 Ų13253.5 Ų53.558%0.57929%0.293SS*.Hα-helixtrans-66.6-37176.9-174.2-97.6000112.2V426 N427 L428 A432 Y433 S434V426-F430 VanDerWaalsContact O-CB 3.31Å; V426-F430 WeakPolarHBondContact O-CB 3.25Å; V426-F430 PolarHBondContact O-N 3.37Å; N427-F430 PolarHBondContact O-N 3.4Å; L428-F430 VanDerWaalsContact C-N 3.33Å; L428-F430 PolarHBondContact O-N 2.83Å; F430-A432 VanDerWaalsContact C-N 3.35Å; F430-Y433 PolarHBondContact O-N 3.3Å; F430-S434 WeakPolarHBondContact O-CB 3.32Å; F430-S434 PolarHBondContact O-N 2.98Å; F430-S434 PolarHBondContact O-OG 2.84Å
431A90.3Very high84.7Confident6 Ų657 Ų575%0.0530%0.301CS..Hα-helixtrans-63.3-41.6171.700000111.4N427 L428 M429 S434 G435 D436 A439 L440 F443N427-A431 PolarHBondContact O-N 3.33Å; L428-A431 WeakPolarHBondContact O-CB 3.33Å; L428-A431 PolarHBondContact O-N 3.49Å; M429-A431 VanDerWaalsContact C-N 3.35Å; A431-S434 PolarHBondContact O-N 2.88Å; A431-G435 PolarHBondContact O-N 3.21Å; A431-G435 VanDerWaalsContact O-N 3.11Å; A431-D436 PolarHBondContact O-N 2.97Å; A431-A439 HydrophobicContact CB-CB 3.77Å; A431-L440 HydrophobicContact CB-CD2 3.99Å; A431-L440 HydrophobicContact CB-CG 4.25Å; A431-F443 HydrophobicContact CB-CE2 4.29Å
432A90.1Very high85.9Confident0 Ų061.3 Ų61.30%031%0.308CS..Hα-helixtrans-64.8-41.2174.300000112.5L428 M429 F430 G435 A460 V463 A464 H469L428-A432 PolarHBondContact O-N 3.09Å; M429-A432 WeakPolarHBondContact O-CB 3.19Å; M429-A432 PolarHBondContact O-N 3.26Å; F430-A432 VanDerWaalsContact C-N 3.35Å; A432-G435 PolarHBondContact O-N 3.32Å; A432-A460 HydrophobicContact CB-CB 4.19Å; A432-V463 HydrophobicContact CB-CB 4.32Å; A432-V463 HydrophobicContact CB-CG1 4.37Å; A432-A464 HydrophobicContact CB-CB 4.32Å; A432-H469 PolarHBondContact O-CD2 3.3Å; A432-H469 VanDerWaalsContact O-CD2 3.28Å
433Y90.1Very high86.6Confident150 Ų15059.2 Ų59.259%0.58830%0.295SS*.Hα-helixtrans-64.6-38.2176.5175-102.6000112.9M429 F430 G435 V463 H469M429-Y433 WeakPolarHBondContact O-CB 3.25Å; M429-Y433 PolarHBondContact O-N 3.35Å; F430-Y433 PolarHBondContact O-N 3.3Å; Y433-G435 VanDerWaalsContact C-N 3.3Å; Y433-V463 HydrophobicContact CD2-CG1 4.49Å; Y433-H469 PolarHBondContact O-CD2 2.98Å; Y433-H469 PolarHBondContact O-NE2 3.25Å
434S90.1Very high87.1Confident61 Ų6155.4 Ų55.443%0.42729%0.285SS..Hα-helixtrans-81.2-11.2179-52.80000113.1F430 A431 D436F430-S434 WeakPolarHBondContact O-CB 3.32Å; F430-S434 PolarHBondContact O-N 2.98Å; F430-S434 PolarHBondContact O-OG 2.84Å; A431-S434 PolarHBondContact O-N 2.88Å; S434-D436 VanDerWaalsContact C-N 3.3Å; S434-D436 PolarHBondContact O-N 2.87Å
435G89Confident87.4Confident22 Ų2260.7 Ų60.723%0.22731%0.309CS..THydrogen-bonded Turntrans71.419-173.200000114.1A431 A432 Y433 V437A431-G435 PolarHBondContact O-N 3.21Å; A431-G435 VanDerWaalsContact O-N 3.11Å; A432-G435 PolarHBondContact O-N 3.32Å; Y433-G435 VanDerWaalsContact C-N 3.3Å; G435-V437 PolarHBondContact O-N 3.41Å
436D91.9Very high87.3Confident67 Ų6763 Ų6336%0.35833%0.326SS..  trans-78.288-178.7-175.9-4.2000111.2A431 S434 C438 A439 L440A431-D436 PolarHBondContact O-N 2.97Å; S434-D436 VanDerWaalsContact C-N 3.3Å; S434-D436 PolarHBondContact O-N 2.87Å; D436-C438 PolarHBondContact O-N 3.05Å; D436-C438 WeakPolarHBondContact OD1-CA 3.5Å; D436-C438 VanDerWaalsContact OD1-CB 3.26Å; D436-C438 WeakPolarHBondContact OD1-CB 3.45Å; D436-C438 PolarHBondContact OD1-N 2.96Å; D436-A439 HydrophobicContact CB-CB 4.08Å; D436-A439 PolarHBondContact O-N 3.41Å; D436-A439 PolarHBondContact OD1-N 3.39Å; D436-A439 WeakPolarHBondContact OD2-CB 3.41Å; D436-L440 PolarHBondContact O-N 3.02Å; D436-L440 VanDerWaalsContact O-N 3.09Å
437V88.8Confident86.8Confident25 Ų2563.2 Ų63.215%0.15234%0.337CS..Hα-helixtrans-62.1-28.7176.7-173.90000111.9G435 L440 R441 D471 A472 F475G435-V437 PolarHBondContact O-N 3.41Å; V437-L440 PolarHBondContact O-N 3.47Å; V437-R441 HydrophobicContact CG1-CG 4.3Å; V437-R441 WeakPolarHBondContact O-CB 3.23Å; V437-R441 VanDerWaalsContact O-CG 3.22Å; V437-R441 WeakPolarHBondContact O-CG 3.32Å; V437-R441 PolarHBondContact O-N 3.07Å; V437-D471 HydrophobicContact CG2-CB 3.79Å; V437-A472 HydrophobicContact CG2-CB 4.45Å; V437-F475 HydrophobicContact CG1-CB 4.21Å; V437-F475 HydrophobicContact CG1-CD2 4.32Å; V437-F475 HydrophobicContact CG1-CG 4.22Å
438C89.1Confident86.4Confident85 Ų8561.3 Ų61.357%0.57433%0.327SS*.Hα-helixtrans-69.2-39.9177.9-70.50000111.3D436 R442D436-C438 PolarHBondContact O-N 3.05Å; D436-C438 WeakPolarHBondContact OD1-CA 3.5Å; D436-C438 VanDerWaalsContact OD1-CB 3.26Å; D436-C438 WeakPolarHBondContact OD1-CB 3.45Å; D436-C438 PolarHBondContact OD1-N 2.96Å; C438-R442 WeakPolarHBondContact O-CG 3.28Å; C438-R442 PolarHBondContact O-N 3.16Å; C438-R442 VanDerWaalsContact O-N 3.13Å; C438-R442 PolarHBondContact O-NE 2.83Å
439A87.3Confident86Confident9 Ų965.5 Ų65.57%0.07435%0.35CS..Hα-helixtrans-64.2-46.6170.600000111.7A431 D436 R441 R442 F443A431-A439 HydrophobicContact CB-CB 3.77Å; D436-A439 HydrophobicContact CB-CB 4.08Å; D436-A439 PolarHBondContact O-N 3.41Å; D436-A439 PolarHBondContact OD1-N 3.39Å; D436-A439 WeakPolarHBondContact OD2-CB 3.41Å; A439-R441 VanDerWaalsContact C-N 3.33Å; A439-R441 PolarHBondContact O-N 3.37Å; A439-R442 WeakPolarHBondContact O-CB 3.29Å; A439-R442 PolarHBondContact O-N 2.99Å; A439-R442 VanDerWaalsContact O-N 3.09Å; A439-F443 HydrophobicContact CB-CE2 4.34Å; A439-F443 WeakPolarHBondContact O-CD2 3.27Å; A439-F443 PolarHBondContact O-N 2.76Å
440L87.2Confident85.8Confident0 Ų065.4 Ų65.40%035%0.349CS..Hα-helixtrans-58.5-42.2177.1-67.3176.9000112.4L428 A431 D436 V437 R442 F443 A444 A472 F475L428-L440 HydrophobicContact CD1-CD2 3.61Å; A431-L440 HydrophobicContact CB-CD2 3.99Å; A431-L440 HydrophobicContact CB-CG 4.25Å; D436-L440 PolarHBondContact O-N 3.02Å; D436-L440 VanDerWaalsContact O-N 3.09Å; V437-L440 PolarHBondContact O-N 3.47Å; L440-R442 PolarHBondContact O-N 3.37Å; L440-F443 PolarHBondContact O-N 2.97Å; L440-A444 PolarHBondContact O-N 3.25Å; L440-A472 HydrophobicContact CD1-CB 3.82Å; L440-F475 HydrophobicContact CB-CD1 3.84Å; L440-F475 HydrophobicContact CB-CE1 3.74Å; L440-F475 HydrophobicContact CD1-CD1 4.41Å
441R88.6Confident85.6Confident139 Ų13962.8 Ų62.853%0.52534%0.339SS..Hα-helixtrans-60-43173.7-77.2172.6-177.2-156.84.4112.3V437 A439 A444 L445 F475V437-R441 HydrophobicContact CG1-CG 4.3Å; V437-R441 WeakPolarHBondContact O-CB 3.23Å; V437-R441 VanDerWaalsContact O-CG 3.22Å; V437-R441 WeakPolarHBondContact O-CG 3.32Å; V437-R441 PolarHBondContact O-N 3.07Å; A439-R441 VanDerWaalsContact C-N 3.33Å; A439-R441 PolarHBondContact O-N 3.37Å; R441-A444 PolarHBondContact O-N 3.22Å; R441-L445 WeakPolarHBondContact O-CB 3.45Å; R441-L445 VanDerWaalsContact O-CG 3.28Å; R441-L445 WeakPolarHBondContact O-CG 2.98Å; R441-L445 PolarHBondContact O-N 3.17Å; R441-F475 HydrophobicContact CB-CE2 4.36Å; R441-F475 HydrophobicContact CB-CZ 4.31Å; R441-F475 HydrophobicContact CG-CD2 3.92Å; R441-F475 HydrophobicContact CG-CE2 3.35Å; R441-F475 HydrophobicContact CG-CZ 3.74Å
442R85.6Confident85.3Confident158 Ų15865.4 Ų65.460%0.59635%0.35SS*.Hα-helixtrans-64.5-39.9176.7-74.5-177.5-67.2176.20.1112.1C438 A439 L440 L445 S446C438-R442 WeakPolarHBondContact O-CG 3.28Å; C438-R442 PolarHBondContact O-N 3.16Å; C438-R442 VanDerWaalsContact O-N 3.13Å; C438-R442 PolarHBondContact O-NE 2.83Å; A439-R442 WeakPolarHBondContact O-CB 3.29Å; A439-R442 PolarHBondContact O-N 2.99Å; A439-R442 VanDerWaalsContact O-N 3.09Å; L440-R442 PolarHBondContact O-N 3.37Å; R442-L445 PolarHBondContact O-N 3.42Å; R442-S446 WeakPolarHBondContact O-CB 3.44Å; R442-S446 PolarHBondContact O-N 3.47Å; R442-S446 PolarHBondContact O-OG 3.28Å
443F84.3Confident85.1Confident51 Ų5171.7 Ų71.722%0.22437%0.374CS..Hα-helixtrans-65.5-41.1174.9-72.3-59.5000111.8N427 L428 A431 A439 L440 L445 S446 V448 M450N427-F443 HydrophobicContact CB-CZ 4.01Å; L428-F443 HydrophobicContact CD1-CB 3.96Å; L428-F443 HydrophobicContact CD1-CD2 3.89Å; L428-F443 HydrophobicContact CD1-CG 4.08Å; A431-F443 HydrophobicContact CB-CE2 4.29Å; A439-F443 HydrophobicContact CB-CE2 4.34Å; A439-F443 WeakPolarHBondContact O-CD2 3.27Å; A439-F443 PolarHBondContact O-N 2.76Å; L440-F443 PolarHBondContact O-N 2.97Å; F443-L445 VanDerWaalsContact C-N 3.35Å; F443-L445 PolarHBondContact O-N 3.23Å; F443-S446 PolarHBondContact O-N 2.91Å; F443-S446 VanDerWaalsContact O-N 3.08Å; F443-V448 HydrophobicContact CD1-CG2 4.3Å; F443-V448 PolarHBondContact O-N 3.44Å; F443-M450 HydrophobicContact CB-CE 3.6Å
444A83.9Confident84.9Confident35 Ų3565.6 Ų65.629%0.28935%0.352SS..Hα-helixtrans-62.5-43.1177.200000111.6L440 R441 S446 A447 M450 F475L440-A444 PolarHBondContact O-N 3.25Å; R441-A444 PolarHBondContact O-N 3.22Å; A444-S446 PolarHBondContact O-N 2.71Å; A444-A447 PolarHBondContact O-N 3.48Å; A444-M450 HydrophobicContact CB-CE 3.64Å; A444-F475 HydrophobicContact CB-CE1 4.25Å; A444-F475 HydrophobicContact CB-CZ 3.74Å
445L84.4Confident84.5Confident150 Ų15070.4 Ų70.479%0.78536%0.362SS*.Hα-helixtrans-65.9-26.2175.2-72168.2000112.9R441 R442 F443 A447R441-L445 WeakPolarHBondContact O-CB 3.45Å; R441-L445 VanDerWaalsContact O-CG 3.28Å; R441-L445 WeakPolarHBondContact O-CG 2.98Å; R441-L445 PolarHBondContact O-N 3.17Å; R442-L445 PolarHBondContact O-N 3.42Å; F443-L445 VanDerWaalsContact C-N 3.35Å; F443-L445 PolarHBondContact O-N 3.23Å; L445-A447 PolarHBondContact O-N 2.98Å
446S78.1Confident84.4Confident56 Ų5669.8 Ų69.839%0.39235%0.353SS..THydrogen-bonded Turntrans-82.88.7178.6-57.40000113.4R442 F443 A444 V448R442-S446 WeakPolarHBondContact O-CB 3.44Å; R442-S446 PolarHBondContact O-N 3.47Å; R442-S446 PolarHBondContact O-OG 3.28Å; F443-S446 PolarHBondContact O-N 2.91Å; F443-S446 VanDerWaalsContact O-N 3.08Å; A444-S446 PolarHBondContact O-N 2.71Å; S446-V448 PolarHBondContact O-N 2.93Å
447A72.9Confident84.1Confident90 Ų9068.8 Ų68.874%0.74435%0.351SS*.THydrogen-bonded Turntrans56.428.7-177.600000114.1A444 L445A444-A447 PolarHBondContact O-N 3.48Å; L445-A447 PolarHBondContact O-N 2.98Å
448V77.5Confident84.1Confident36 Ų3670.7 Ų70.722%0.21836%0.356CS..  trans-70.1132.7169.6178.80000108.2F443 S446 M450F443-V448 HydrophobicContact CD1-CG2 4.3Å; F443-V448 PolarHBondContact O-N 3.44Å; S446-V448 PolarHBondContact O-N 2.93Å; V448-M450 PolarHBondContact O-N 3.29Å
449D80.9Confident84.2Confident88 Ų8866.7 Ų66.747%0.47133%0.328SS..  trans-67115.4174.4178.610.3000110E451 Q452D449-E451 VanDerWaalsContact C-N 3.26Å; D449-E451 PolarHBondContact O-N 3.42Å; D449-E451 PolarHBondContact OD1-N 3.48Å; D449-Q452 HydrophobicContact CB-CG 3.96Å; D449-Q452 WeakPolarHBondContact O-CG 3.44Å
450M81.9Confident84.3Confident13 Ų1366.2 Ų66.26%0.06433%0.325CS..THydrogen-bonded Turntrans-78.8-9.6-176.5-68.1-67.2175.600113.2L428 F443 A444 V448 Q452 L476 C480 V482L428-M450 HydrophobicContact CD1-CE 4.04Å; L428-M450 HydrophobicContact CD1-SD 3.53Å; L428-M450 VanDerWaalsContact CD1-SD 3.53Å; L428-M450 HydrophobicContact CD2-SD 3.86Å; L428-M450 HydrophobicContact CG-SD 4.32Å; F443-M450 HydrophobicContact CB-CE 3.6Å; A444-M450 HydrophobicContact CB-CE 3.64Å; V448-M450 PolarHBondContact O-N 3.29Å; M450-Q452 VanDerWaalsContact C-N 3.34Å; M450-L476 HydrophobicContact SD-CD2 4.43Å; M450-C480 HydrophobicContact CB-CB 4.27Å; M450-C480 HydrophobicContact CG-CB 4.14Å; M450-V482 HydrophobicContact CB-CG2 3.9Å
451E85.4Confident84.5Confident77 Ų7766.2 Ų66.236%0.3633%0.325SS..THydrogen-bonded Turntrans-91.31.5176.7-55.1-155.3129.100113.1D449 V482 N483D449-E451 VanDerWaalsContact C-N 3.26Å; D449-E451 PolarHBondContact O-N 3.42Å; D449-E451 PolarHBondContact OD1-N 3.48Å; E451-V482 HydrophobicContact CG-CG1 4.36Å; E451-N483 WeakPolarHBondContact OE1-CB 3.13Å; E451-N483 PolarHBondContact OE1-N 2.83Å
452Q83.9Confident84.6Confident61 Ų6159.7 Ų59.729%0.28530%0.3SS..  trans-60142.1175.6-69.9-178.28.100111.4V425 M429 D449 M450V425-Q452 HydrophobicContact CG2-CB 3.64Å; V425-Q452 HydrophobicContact CG2-CG 4.37Å; M429-Q452 VanDerWaalsContact CE-O 3.31Å; M429-Q452 WeakPolarHBondContact CE-O 3.44Å; D449-Q452 HydrophobicContact CB-CG 3.96Å; D449-Q452 WeakPolarHBondContact O-CG 3.44Å; M450-Q452 VanDerWaalsContact C-N 3.34Å
453R86.8Confident84.8Confident132 Ų13253 Ų5350%0.49828%0.277SS..  trans-109.8145.4-172.5-56.7-178.1-171-176.32.3111.3R458 T459 I486R453-R458 CarbonylContact C-O 3.58Å; R453-R458 VanDerWaalsContact CA-O 3.27Å; R453-R458 WeakPolarHBondContact CA-O 3.4Å; R453-T459 HydrophobicContact CG-CG2 4.1Å; R453-I486 VanDerWaalsContact CZ-CG2 3.47Å
454D85.8Confident85.2Confident23 Ų2350.6 Ų50.612%0.12327%0.266CS..  trans-78.6-175172.978-6.8000112.3V425 M429 D456 S457 R458V425-D454 HydrophobicContact CG1-CB 4.38Å; M429-D454 HydrophobicContact CE-CB 4.37Å; M429-D454 HydrophobicContact CG-CB 4.38Å; D454-D456 PolarHBondContact O-N 2.76Å; D454-D456 VanDerWaalsContact OD1-C 3.29Å; D454-D456 WeakPolarHBondContact OD1-CA 3.35Å; D454-D456 PolarHBondContact OD1-N 3.44Å; D454-S457 PolarHBondContact O-N 3.32Å; D454-S457 PolarHBondContact OD1-N 3.2Å; D454-S457 VanDerWaalsContact OD1-N 3.13Å; D454-R458 PolarHBondContact N-O 3.02Å; D454-R458 WeakPolarHBondContact OD1-CB 3.35Å; D454-R458 PolarHBondContact OD1-N 3.02Å; D454-R458 IonicContact OD1-NE 2.97Å; D454-R458 IonicContact OD2-CZ 3.43Å; D454-R458 VanDerWaalsContact OD2-CZ 3.31Å; D454-R458 IonicContact OD2-NE 3.98Å; D454-R458 PolarHBondContact OD2-NE 3.1Å; D454-R458 IonicContact OD2-NH2 3.31Å; D454-R458 PolarHBondContact OD2-NH2 3.5Å
455Y81.4Confident85.5Confident162 Ų16248.9 Ų48.964%0.63525%0.253SS*.THydrogen-bonded Turntrans-61.7-21.9178.772.1-91000113.6S457 R489Y455-S457 VanDerWaalsContact C-N 3.35Å; Y455-R489 PolarHBondContact O-NH2 3.47Å
456D86.2Confident85.8Confident9 Ų943.1 Ų43.15%0.04823%0.226CC..THydrogen-bonded Turntrans-96.514.5175.2-84.9-25.6000112.2D454 R458 R489 W490D454-D456 PolarHBondContact O-N 2.76Å; D454-D456 VanDerWaalsContact OD1-C 3.29Å; D454-D456 WeakPolarHBondContact OD1-CA 3.35Å; D454-D456 PolarHBondContact OD1-N 3.44Å; D456-R458 HydrophobicContact CB-CG 4.17Å; D456-R458 PolarHBondContact O-N 3.5Å; D456-R489 WeakPolarHBondContact O-CB 2.84Å; D456-R489 PolarHBondContact O-N 2.99Å; D456-R489 IonicContact OD1-CZ 3.85Å; D456-R489 VanDerWaalsContact OD1-CZ 3.25Å; D456-R489 IonicContact OD1-NE 2.79Å; D456-R489 PolarHBondContact OD1-NE 3.35Å; D456-R489 IonicContact OD1-NH1 3.09Å; D456-R489 PolarHBondContact OD1-NH1 3.43Å; D456-R489 IonicContact OD1-NH2 2.8Å; D456-W490 HydrophobicContact CB-CH2 4.13Å; D456-W490 HydrophobicContact CB-CZ3 3.88Å; D456-W490 VanDerWaalsContact CG-CH2 3.41Å; D456-W490 WeakPolarHBondContact OD2-CH2 3.35Å
457S86.8Confident86.2Confident46 Ų4641.9 Ų41.932%0.32222%0.222SC..SBendtrans61.919.3-177.6-59.20000114.3D454 Y455D454-S457 PolarHBondContact O-N 3.32Å; D454-S457 PolarHBondContact OD1-N 3.2Å; D454-S457 VanDerWaalsContact OD1-N 3.13Å; Y455-S457 VanDerWaalsContact C-N 3.35Å
458R88.8Confident87Confident65 Ų6538.6 Ų38.625%0.24520%0.198CC..  trans-86.9143.2179.4-62.7178.6-59.4-175.4-1.6111M429 R453 D454 D456 H462 D488M429-R458 VanDerWaalsContact CE-O 3.23Å; M429-R458 WeakPolarHBondContact CE-O 3.42Å; R453-R458 CarbonylContact C-O 3.58Å; R453-R458 VanDerWaalsContact CA-O 3.27Å; R453-R458 WeakPolarHBondContact CA-O 3.4Å; D454-R458 PolarHBondContact N-O 3.02Å; D454-R458 WeakPolarHBondContact OD1-CB 3.35Å; D454-R458 PolarHBondContact OD1-N 3.02Å; D454-R458 IonicContact OD1-NE 2.97Å; D454-R458 IonicContact OD2-CZ 3.43Å; D454-R458 VanDerWaalsContact OD2-CZ 3.31Å; D454-R458 IonicContact OD2-NE 3.98Å; D454-R458 PolarHBondContact OD2-NE 3.1Å; D454-R458 IonicContact OD2-NH2 3.31Å; D454-R458 PolarHBondContact OD2-NH2 3.5Å; D456-R458 HydrophobicContact CB-CG 4.17Å; D456-R458 PolarHBondContact O-N 3.5Å; R458-H462 HydrophobicContact CB-CB 3.97Å; R458-H462 HydrophobicContact CG-CB 4.31Å; R458-D488 HydrophobicContact CG-CB 3.72Å
459T89.9Confident87.7Confident0 Ų039.7 Ų39.70%020%0.2CC..  trans-92.7167.9171.261.10000111.3M429 R453 L461 H462 V463 I486M429-T459 VanDerWaalsContact SD-C 3.57Å; R453-T459 HydrophobicContact CG-CG2 4.1Å; T459-L461 PolarHBondContact O-N 3.4Å; T459-H462 PolarHBondContact N-ND1 2.97Å; T459-H462 VanDerWaalsContact N-ND1 3.18Å; T459-H462 WeakPolarHBondContact O-CB 3.25Å; T459-H462 PolarHBondContact O-N 2.84Å; T459-H462 PolarHBondContact OG1-ND1 2.96Å; T459-V463 PolarHBondContact O-N 3.32Å; T459-I486 HydrophobicContact CG2-CB 4.36Å; T459-I486 HydrophobicContact CG2-CD1 3.7Å; T459-I486 HydrophobicContact CG2-CG2 4Å
460A90.1Very high88.1Confident0 Ų037.8 Ų37.80%019%0.192CC..Hα-helixtrans-55.6-27.9174.100000112.4L428 M429 A432 A464 L476L428-A460 HydrophobicContact CD2-CB 4.35Å; L428-A460 HydrophobicContact CG-CB 4.27Å; M429-A460 WeakPolarHBondContact SD-CA 3.37Å; M429-A460 HydrophobicContact SD-CB 4.14Å; M429-A460 PolarHBondContact SD-N 3.26Å; M429-A460 VanDerWaalsContact SD-N 3.38Å; A432-A460 HydrophobicContact CB-CB 4.19Å; A460-A464 WeakPolarHBondContact O-CB 3.48Å; A460-A464 PolarHBondContact O-N 2.94Å; A460-L476 HydrophobicContact CB-CD1 3.98Å; A460-L476 HydrophobicContact CB-CD2 4.29Å
461L90.9Very high88.4Confident0 Ų042.6 Ų42.60%022%0.218CC..Hα-helixtrans-68.4-39.7176.3-170.862.3000112.7T459 A465 V473 L476 T477 V482 P484 P494 L510T459-L461 PolarHBondContact O-N 3.4Å; L461-A465 WeakPolarHBondContact O-CB 3.06Å; L461-A465 PolarHBondContact O-N 3.45Å; L461-V473 HydrophobicContact CD1-CG1 4.07Å; L461-V473 HydrophobicContact CD1-CG2 4.46Å; L461-L476 HydrophobicContact CD1-CB 4.16Å; L461-L476 HydrophobicContact CD1-CD1 4.44Å; L461-T477 HydrophobicContact CD1-CG2 3.92Å; L461-T477 HydrophobicContact CD2-CG2 4.39Å; L461-V482 HydrophobicContact CB-CG1 4.29Å; L461-V482 HydrophobicContact CD2-CG1 4.48Å; L461-P484 HydrophobicContact CD2-CB 4.49Å; L461-P494 HydrophobicContact CB-CG 4.48Å; L461-P494 HydrophobicContact CD2-CB 4.26Å; L461-P494 HydrophobicContact CD2-CG 4.05Å; L461-P494 HydrophobicContact CG-CB 4.01Å; L461-P494 HydrophobicContact CG-CG 4.13Å; L461-L510 HydrophobicContact CD1-CD2 4.05Å; L461-L510 HydrophobicContact CD2-CD2 4.23Å; L461-L510 HydrophobicContact CG-CD2 4.32Å
462H90.3Very high88.6Confident1 Ų139 Ų391%0.00520%0.201CC..Hα-helixtrans-61.3-47.5174.9-69.282.8000110.5R458 T459 A465 A466 I486 P494 D497R458-H462 HydrophobicContact CB-CB 3.97Å; R458-H462 HydrophobicContact CG-CB 4.31Å; T459-H462 PolarHBondContact N-ND1 2.97Å; T459-H462 VanDerWaalsContact N-ND1 3.18Å; T459-H462 WeakPolarHBondContact O-CB 3.25Å; T459-H462 PolarHBondContact O-N 2.84Å; T459-H462 PolarHBondContact OG1-ND1 2.96Å; H462-A465 PolarHBondContact O-N 2.94Å; H462-A466 WeakPolarHBondContact O-CB 3.32Å; H462-A466 PolarHBondContact O-N 2.94Å; H462-I486 PolarHBondContact CE1-O 3.05Å; H462-I486 PolarHBondContact NE2-O 3.5Å; H462-I486 VanDerWaalsContact NE2-O 3.1Å; H462-P494 WeakPolarHBondContact NE2-CD 3.46Å; H462-D497 IonicContact CD2-OD2 3.46Å; H462-D497 PolarHBondContact CD2-OD2 3.07Å; H462-D497 IonicContact CG-OD2 2.78Å
463V91.1Very high88.8Confident18 Ų1836 Ų3611%0.10919%0.187CC..Hα-helixtrans-66-42.1-178.4-177.40000111.6M429 A432 Y433 T459 A465 G467M429-V463 HydrophobicContact CB-CG2 4.49Å; M429-V463 HydrophobicContact SD-CG2 3.84Å; A432-V463 HydrophobicContact CB-CB 4.32Å; A432-V463 HydrophobicContact CB-CG1 4.37Å; Y433-V463 HydrophobicContact CD2-CG1 4.49Å; T459-V463 PolarHBondContact O-N 3.32Å; V463-A465 VanDerWaalsContact C-N 3.35Å; V463-G467 PolarHBondContact O-N 3.28Å
464A92.1Very high89Confident0 Ų031.6 Ų31.60%018%0.175CC..Hα-helixtrans-65.9-37.5175.700000112.3A432 A460 G467 G468 H469 A472 V473 L476A432-A464 HydrophobicContact CB-CB 4.32Å; A460-A464 WeakPolarHBondContact O-CB 3.48Å; A460-A464 PolarHBondContact O-N 2.94Å; A464-G467 PolarHBondContact O-N 3.35Å; A464-G468 PolarHBondContact O-N 3.38Å; A464-H469 PolarHBondContact O-N 2.91Å; A464-A472 HydrophobicContact CB-CB 4.15Å; A464-V473 HydrophobicContact CB-CG2 3.82Å; A464-L476 HydrophobicContact CB-CD1 4.16Å
465A90.9Very high89.1Confident0 Ų031 Ų310%017%0.171CC..Hα-helixtrans-69.3-43.1179.300000112.3L461 H462 V463 G467 G468 P494 A498 H503 V506 L510L461-A465 WeakPolarHBondContact O-CB 3.06Å; L461-A465 PolarHBondContact O-N 3.45Å; H462-A465 PolarHBondContact O-N 2.94Å; V463-A465 VanDerWaalsContact C-N 3.35Å; A465-G467 VanDerWaalsContact C-N 3.29Å; A465-G467 PolarHBondContact O-N 3.36Å; A465-G468 PolarHBondContact O-N 3.49Å; A465-P494 HydrophobicContact CB-CB 4.29Å; A465-P494 WeakPolarHBondContact CB-O 3.49Å; A465-A498 HydrophobicContact CB-CB 4.3Å; A465-H503 PolarHBondContact O-CD2 3.29Å; A465-V506 HydrophobicContact CB-CG1 4.14Å; A465-L510 HydrophobicContact CB-CD1 3.97Å
466A89.7Confident89.4Confident28 Ų2823.3 Ų23.323%0.23114%0.141CC..Hα-helixtrans-65.4-30.7173.900000113H462 F501 H503H462-A466 WeakPolarHBondContact O-CB 3.32Å; H462-A466 PolarHBondContact O-N 2.94Å; A466-F501 HydrophobicContact CB-CD2 3.72Å; A466-F501 HydrophobicContact CB-CE2 3.63Å; A466-H503 PolarHBondContact O-NE2 3.19Å
467G86.6Confident89.4Confident30 Ų3023 Ų2331%0.30914%0.14SC..THydrogen-bonded Turntrans-82.1-9.6176.400000115V463 A464 A465 H469V463-G467 PolarHBondContact O-N 3.28Å; A464-G467 PolarHBondContact O-N 3.35Å; A465-G467 VanDerWaalsContact C-N 3.29Å; A465-G467 PolarHBondContact O-N 3.36Å; G467-H469 VanDerWaalsContact C-N 3.31Å; G467-H469 PolarHBondContact O-N 3.24Å
468G90.6Very high89.3Confident22 Ų2227.2 Ų27.223%0.22715%0.154CC..THydrogen-bonded Turntrans73.716.2-17900000115A464 A465 T470 H503A464-G468 PolarHBondContact O-N 3.38Å; A465-G468 PolarHBondContact O-N 3.49Å; G468-T470 PolarHBondContact O-N 3.5Å; G468-T470 VanDerWaalsContact O-N 3.11Å; G468-H503 VanDerWaalsContact CA-CD2 3.5Å; G468-H503 WeakPolarHBondContact CA-CD2 3.38Å
469H91.3Very high89.1Confident58 Ų5829.3 Ų29.327%0.26917%0.169SC..  trans-82.190.6-174.2-64.4-55.6000111.9A432 Y433 A464 G467 D471 A472 V473A432-H469 PolarHBondContact O-CD2 3.3Å; A432-H469 VanDerWaalsContact O-CD2 3.28Å; Y433-H469 PolarHBondContact O-CD2 2.98Å; Y433-H469 PolarHBondContact O-NE2 3.25Å; A464-H469 PolarHBondContact O-N 2.91Å; G467-H469 VanDerWaalsContact C-N 3.31Å; G467-H469 PolarHBondContact O-N 3.24Å; H469-D471 VanDerWaalsContact C-N 3.34Å; H469-D471 PolarHBondContact O-N 2.96Å; H469-A472 HydrophobicContact CB-CB 3.93Å; H469-A472 PolarHBondContact O-N 3.12Å; H469-V473 WeakPolarHBondContact O-CG2 3.35Å; H469-V473 PolarHBondContact O-N 3.15Å
470T89.1Confident88.6Confident49 Ų4930.9 Ų30.930%0.30118%0.18SC..Hα-helixtrans-54.1-46.3-176.653.10000113.2G468 A472 V473 T474 V505 V506G468-T470 PolarHBondContact O-N 3.5Å; G468-T470 VanDerWaalsContact O-N 3.11Å; T470-A472 PolarHBondContact O-N 3.32Å; T470-V473 PolarHBondContact O-N 2.97Å; T470-T474 PolarHBondContact O-N 3.14Å; T470-T474 PolarHBondContact O-OG1 3.37Å; T470-V505 HydrophobicContact CG2-CB 4.03Å; T470-V505 HydrophobicContact CG2-CG1 3.58Å; T470-V506 HydrophobicContact CG2-CG2 4Å
471D89.6Confident88.3Confident113 Ų11338 Ų3860%0.60421%0.21SC*.Hα-helixtrans-68.5-36.4-174.9-62-9000112.1V437 H469 F475V437-D471 HydrophobicContact CG2-CB 3.79Å; H469-D471 VanDerWaalsContact C-N 3.34Å; H469-D471 PolarHBondContact O-N 2.96Å; D471-F475 WeakPolarHBondContact O-CB 3.3Å; D471-F475 PolarHBondContact O-N 3.04Å
472A88.8Confident87.9Confident1 Ų138 Ų381%0.00821%0.21CC..Hα-helixtrans-68.6-41.617500000111.2V437 L440 A464 H469 T470 F475 L476V437-A472 HydrophobicContact CG2-CB 4.45Å; L440-A472 HydrophobicContact CD1-CB 3.82Å; A464-A472 HydrophobicContact CB-CB 4.15Å; H469-A472 HydrophobicContact CB-CB 3.93Å; H469-A472 PolarHBondContact O-N 3.12Å; T470-A472 PolarHBondContact O-N 3.32Å; A472-F475 PolarHBondContact O-N 3.02Å; A472-L476 WeakPolarHBondContact O-CB 3.4Å; A472-L476 VanDerWaalsContact O-CG 3.3Å; A472-L476 WeakPolarHBondContact O-CG 3.46Å; A472-L476 PolarHBondContact O-N 3.39Å
473V89.2Confident87.6Confident0 Ų040 Ų400%022%0.221CC..Hα-helixtrans-64.2-44.3175.6173.30000110.9L461 A464 H469 T470 F475 L476 T477 V506 V509 L510L461-V473 HydrophobicContact CD1-CG1 4.07Å; L461-V473 HydrophobicContact CD1-CG2 4.46Å; A464-V473 HydrophobicContact CB-CG2 3.82Å; H469-V473 WeakPolarHBondContact O-CG2 3.35Å; H469-V473 PolarHBondContact O-N 3.15Å; T470-V473 PolarHBondContact O-N 2.97Å; V473-F475 VanDerWaalsContact C-N 3.33Å; V473-F475 PolarHBondContact O-N 3.4Å; V473-L476 PolarHBondContact O-N 3.27Å; V473-T477 HydrophobicContact CG1-CG2 4.27Å; V473-T477 WeakPolarHBondContact O-CB 3.46Å; V473-T477 WeakPolarHBondContact O-CG2 3.34Å; V473-T477 PolarHBondContact O-N 3.08Å; V473-T477 PolarHBondContact O-OG1 3.2Å; V473-V506 HydrophobicContact CG1-CG1 4.36Å; V473-V506 HydrophobicContact CG2-CG1 4.04Å; V473-V509 HydrophobicContact CG1-CG1 4.11Å; V473-L510 HydrophobicContact CG1-CD2 3.85Å; V473-L510 HydrophobicContact CG1-CG 4.16Å
474T89.4Confident87.3Confident39 Ų3939.1 Ų39.124%0.23922%0.216CC..Hα-helixtrans-61.8-41.7175.6-57.10000111.4T470 T477 Q478T470-T474 PolarHBondContact O-N 3.14Å; T470-T474 PolarHBondContact O-OG1 3.37Å; T474-T477 PolarHBondContact O-OG1 2.86Å; T474-Q478 VanDerWaalsContact CG2-CD 3.43Å; T474-Q478 HydrophobicContact CG2-CG 4.05Å; T474-Q478 VanDerWaalsContact CG2-OE1 3.29Å; T474-Q478 VanDerWaalsContact O-CB 3.27Å; T474-Q478 WeakPolarHBondContact O-CB 3.5Å; T474-Q478 WeakPolarHBondContact O-CG 3.12Å; T474-Q478 PolarHBondContact O-N 3.25Å
475F89.1Confident87Confident11 Ų1143 Ų435%0.04823%0.231CC..Iπ-helixtrans-61-49.1175.3177.9-98.4000112.2V437 L440 R441 A444 D471 A472 V473 T477 I479 C480V437-F475 HydrophobicContact CG1-CB 4.21Å; V437-F475 HydrophobicContact CG1-CD2 4.32Å; V437-F475 HydrophobicContact CG1-CG 4.22Å; L440-F475 HydrophobicContact CB-CD1 3.84Å; L440-F475 HydrophobicContact CB-CE1 3.74Å; L440-F475 HydrophobicContact CD1-CD1 4.41Å; R441-F475 HydrophobicContact CB-CE2 4.36Å; R441-F475 HydrophobicContact CB-CZ 4.31Å; R441-F475 HydrophobicContact CG-CD2 3.92Å; R441-F475 HydrophobicContact CG-CE2 3.35Å; R441-F475 HydrophobicContact CG-CZ 3.74Å; A444-F475 HydrophobicContact CB-CE1 4.25Å; A444-F475 HydrophobicContact CB-CZ 3.74Å; D471-F475 WeakPolarHBondContact O-CB 3.3Å; D471-F475 PolarHBondContact O-N 3.04Å; A472-F475 PolarHBondContact O-N 3.02Å; V473-F475 VanDerWaalsContact C-N 3.33Å; V473-F475 PolarHBondContact O-N 3.4Å; F475-T477 PolarHBondContact O-N 2.68Å; F475-I479 HydrophobicContact CD2-CB 4.24Å; F475-I479 HydrophobicContact CD2-CD1 3.44Å; F475-I479 VanDerWaalsContact CD2-CD1 3.44Å; F475-I479 HydrophobicContact CD2-CG1 4.39Å; F475-I479 HydrophobicContact CE2-CB 4.13Å; F475-I479 HydrophobicContact CE2-CD1 3.71Å; F475-I479 HydrophobicContact CE2-CG2 3.96Å; F475-I479 HydrophobicContact CG-CD1 4.47Å; F475-I479 HydrophobicContact CZ-CG2 4.38Å; F475-I479 WeakPolarHBondContact O-CB 3.38Å; F475-I479 PolarHBondContact O-N 3.05Å; F475-C480 VanDerWaalsContact CE1-SG 3.54Å; F475-C480 PolarHBondContact O-N 3.4Å
476L87.3Confident86.6Confident0 Ų043.4 Ų43.40%023%0.234CC..Iπ-helixtrans-67.6-34.9-177.4-70.8169.7000113M450 A460 L461 A464 A472 V473 C480 K481 V482M450-L476 HydrophobicContact SD-CD2 4.43Å; A460-L476 HydrophobicContact CB-CD1 3.98Å; A460-L476 HydrophobicContact CB-CD2 4.29Å; L461-L476 HydrophobicContact CD1-CB 4.16Å; L461-L476 HydrophobicContact CD1-CD1 4.44Å; A464-L476 HydrophobicContact CB-CD1 4.16Å; A472-L476 WeakPolarHBondContact O-CB 3.4Å; A472-L476 VanDerWaalsContact O-CG 3.3Å; A472-L476 WeakPolarHBondContact O-CG 3.46Å; A472-L476 PolarHBondContact O-N 3.39Å; V473-L476 PolarHBondContact O-N 3.27Å; L476-C480 CarbonylContact O-C 3.52Å; L476-C480 WeakPolarHBondContact O-CB 3.26Å; L476-K481 PolarHBondContact O-N 3.35Å; L476-K481 VanDerWaalsContact O-N 3.1Å; L476-V482 HydrophobicContact CB-CG2 4.46Å; L476-V482 HydrophobicContact CD2-CG2 4.37Å; L476-V482 PolarHBondContact O-N 2.83Å
477T86.6Confident86.6Confident3 Ų348.1 Ų48.12%0.01825%0.249CC..Iπ-helixtrans-81.3-50.3-179.852.10000112.3L461 V473 T474 F475 K481 L510 Y513L461-T477 HydrophobicContact CD1-CG2 3.92Å; L461-T477 HydrophobicContact CD2-CG2 4.39Å; V473-T477 HydrophobicContact CG1-CG2 4.27Å; V473-T477 WeakPolarHBondContact O-CB 3.46Å; V473-T477 WeakPolarHBondContact O-CG2 3.34Å; V473-T477 PolarHBondContact O-N 3.08Å; V473-T477 PolarHBondContact O-OG1 3.2Å; T474-T477 PolarHBondContact O-OG1 2.86Å; F475-T477 PolarHBondContact O-N 2.68Å; T477-K481 WeakPolarHBondContact O-CA 3.29Å; T477-K481 PolarHBondContact O-N 2.95Å; T477-L510 HydrophobicContact CG2-CD2 4.25Å; T477-Y513 HydrophobicContact CG2-CD1 3.54Å; T477-Y513 HydrophobicContact CG2-CD2 4.33Å; T477-Y513 HydrophobicContact CG2-CE1 3.81Å; T477-Y513 HydrophobicContact CG2-CG 3.82Å; T477-Y513 WeakPolarHBondContact O-CE2 3.46Å; T477-Y513 PolarHBondContact O-OH 3.01Å
478Q84.4Confident86.7Confident134 Ų13447.3 Ų47.363%0.62624%0.237SC*.Iπ-helixtrans-79.5-39.3-174.1-64.2-175-15.600113.4T474T474-Q478 VanDerWaalsContact CG2-CD 3.43Å; T474-Q478 HydrophobicContact CG2-CG 4.05Å; T474-Q478 VanDerWaalsContact CG2-OE1 3.29Å; T474-Q478 VanDerWaalsContact O-CB 3.27Å; T474-Q478 WeakPolarHBondContact O-CB 3.5Å; T474-Q478 WeakPolarHBondContact O-CG 3.12Å; T474-Q478 PolarHBondContact O-N 3.25Å
479I83.6Confident86.6Confident108 Ų10853.6 Ų53.655%0.55425%0.254SS*.Iπ-helixtrans-96.8-49.6-173.2-64.9162.4000110.7F475F475-I479 HydrophobicContact CD2-CB 4.24Å; F475-I479 HydrophobicContact CD2-CD1 3.44Å; F475-I479 VanDerWaalsContact CD2-CD1 3.44Å; F475-I479 HydrophobicContact CD2-CG1 4.39Å; F475-I479 HydrophobicContact CE2-CB 4.13Å; F475-I479 HydrophobicContact CE2-CD1 3.71Å; F475-I479 HydrophobicContact CE2-CG2 3.96Å; F475-I479 HydrophobicContact CG-CD1 4.47Å; F475-I479 HydrophobicContact CZ-CG2 4.38Å; F475-I479 WeakPolarHBondContact O-CB 3.38Å; F475-I479 PolarHBondContact O-N 3.05Å
480C79.9Confident86.4Confident33 Ų3358.4 Ų58.422%0.22327%0.27CS..SBendtrans-85.1-15-177-61.40000114M450 F475 L476 V482M450-C480 HydrophobicContact CB-CB 4.27Å; M450-C480 HydrophobicContact CG-CB 4.14Å; F475-C480 VanDerWaalsContact CE1-SG 3.54Å; F475-C480 PolarHBondContact O-N 3.4Å; L476-C480 CarbonylContact O-C 3.52Å; L476-C480 WeakPolarHBondContact O-CB 3.26Å; C480-V482 VanDerWaalsContact C-N 3.28Å; C480-V482 HydrophobicContact CB-CG2 4.02Å; C480-V482 PolarHBondContact O-N 2.9Å
481K83.5Confident86.3Confident149 Ų14957.8 Ų57.865%0.64827%0.273SS*.  trans50.242.2-179-63-170.6177.4-1730114.5L476 T477 Y513L476-K481 PolarHBondContact O-N 3.35Å; L476-K481 VanDerWaalsContact O-N 3.1Å; T477-K481 WeakPolarHBondContact O-CA 3.29Å; T477-K481 PolarHBondContact O-N 2.95Å; K481-Y513 VanDerWaalsContact C-OH 3.26Å; K481-Y513 VanDerWaalsContact CA-OH 3.25Å; K481-Y513 WeakPolarHBondContact CA-OH 3.36Å
482V83.4Confident86.3Confident0 Ų054.6 Ų54.60%026%0.256CS..  trans-63.9139.5178.21790000110.3M450 E451 L461 L476 C480 P484 Y513M450-V482 HydrophobicContact CB-CG2 3.9Å; E451-V482 HydrophobicContact CG-CG1 4.36Å; L461-V482 HydrophobicContact CB-CG1 4.29Å; L461-V482 HydrophobicContact CD2-CG1 4.48Å; L476-V482 HydrophobicContact CB-CG2 4.46Å; L476-V482 HydrophobicContact CD2-CG2 4.37Å; L476-V482 PolarHBondContact O-N 2.83Å; C480-V482 VanDerWaalsContact C-N 3.28Å; C480-V482 HydrophobicContact CB-CG2 4.02Å; C480-V482 PolarHBondContact O-N 2.9Å; V482-P484 WeakPolarHBondContact O-CD 3.45Å; V482-Y513 WeakPolarHBondContact O-CE1 3.45Å; V482-Y513 PolarHBondContact O-OH 3.04Å; V482-Y513 VanDerWaalsContact O-OH 3.11Å
483N84.4Confident86.4Confident43 Ų4355.3 Ų55.323%0.2326%0.261CS..  trans-65121.9179-177.3-10.5000112.5E451 Y485 I486E451-N483 WeakPolarHBondContact OE1-CB 3.13Å; E451-N483 PolarHBondContact OE1-N 2.83Å; N483-Y485 VanDerWaalsContact C-N 3.33Å; N483-Y485 PolarHBondContact O-N 2.95Å; N483-Y485 WeakPolarHBondContact OD1-CB 3.31Å; N483-Y485 PolarHBondContact OD1-N 2.9Å; N483-I486 HydrophobicContact CB-CD1 3.91Å; N483-I486 HydrophobicContact CB-CG1 4Å
484P84.4Confident86.4Confident1 Ų155.4 Ų55.41%0.00626%0.261CS..THydrogen-bonded Turntrans-83-4.5-177.134.6-35.2000114.2L461 V482 P494 Y513 Q514 Y517L461-P484 HydrophobicContact CD2-CB 4.49Å; V482-P484 WeakPolarHBondContact O-CD 3.45Å; P484-P494 WeakPolarHBondContact O-CD 3.45Å; P484-Y513 HydrophobicContact CB-CD1 3.99Å; P484-Y513 HydrophobicContact CB-CE1 4.09Å; P484-Y513 HydrophobicContact CG-CD1 3.97Å; P484-Y513 HydrophobicContact CG-CE1 3.87Å; P484-Q514 HydrophobicContact CB-CG 3.95Å; P484-Q514 HydrophobicContact CG-CG 4.05Å; P484-Y517 HydrophobicContact CG-CD1 4.38Å; P484-Y517 HydrophobicContact CG-CG 4.12Å
485Y84.5Confident86.4Confident80 Ų8054.3 Ų54.331%0.31425%0.254SS..THydrogen-bonded Turntrans-100.72.2-178.1-62.3-67000113.8N483 K487 Q514 Y517 K518N483-Y485 VanDerWaalsContact C-N 3.33Å; N483-Y485 PolarHBondContact O-N 2.95Å; N483-Y485 WeakPolarHBondContact OD1-CB 3.31Å; N483-Y485 PolarHBondContact OD1-N 2.9Å; Y485-K487 PolarHBondContact O-N 2.85Å; Y485-Q514 HydrophobicContact CE1-CG 4.18Å; Y485-Q514 PolarHBondContact OH-O 3.32Å; Y485-Q514 VanDerWaalsContact OH-O 3.1Å; Y485-Y517 HydrophobicContact CD2-CD1 4.19Å; Y485-Y517 HydrophobicContact CD2-CE1 4.48Å; Y485-Y517 AromaticContact CE2-CD1 3.96Å; Y485-Y517 HydrophobicContact CE2-CD1 3.96Å; Y485-K518 HydrophobicContact CE2-CG 4.49Å; Y485-K518 WeakPolarHBondContact OH-CE 3.44Å; Y485-K518 WeakPolarHBondContact OH-CG 3.37Å
486I84.4Confident86.4Confident10 Ų1056.9 Ų56.95%0.05127%0.268CS..  trans-62.4131.3173.7-64.1171.9000107.7R453 T459 H462 N483R453-I486 VanDerWaalsContact CZ-CG2 3.47Å; T459-I486 HydrophobicContact CG2-CB 4.36Å; T459-I486 HydrophobicContact CG2-CD1 3.7Å; T459-I486 HydrophobicContact CG2-CG2 4Å; H462-I486 PolarHBondContact CE1-O 3.05Å; H462-I486 PolarHBondContact NE2-O 3.5Å; H462-I486 VanDerWaalsContact NE2-O 3.1Å; N483-I486 HydrophobicContact CB-CD1 3.91Å; N483-I486 HydrophobicContact CB-CG1 4Å
487K88.4Confident86.4Confident127 Ų12757.4 Ų57.455%0.55227%0.271SS*.  trans-98.7142.8175.7-62.5-175.6178.6-169.30110.3Y485 N492 T493Y485-K487 PolarHBondContact O-N 2.85Å; K487-N492 WeakPolarHBondContact CA-O 3.31Å; K487-T493 HydrophobicContact CG-CG2 4.26Å
488D88.6Confident86.6Confident12 Ų1257.3 Ų57.36%0.06427%0.27CS..  trans-75.6-175.7169.172.84.8000112.1R458 W490 G491 N492R458-D488 HydrophobicContact CG-CB 3.72Å; D488-W490 HydrophobicContact CB-CE3 4.46Å; D488-W490 PolarHBondContact O-N 3.49Å; D488-W490 VanDerWaalsContact OD1-C 3.28Å; D488-W490 VanDerWaalsContact OD1-CA 3.3Å; D488-W490 WeakPolarHBondContact OD1-CA 3.02Å; D488-W490 PolarHBondContact OD1-N 3.39Å; D488-G491 PolarHBondContact O-N 3.4Å; D488-G491 PolarHBondContact OD1-N 3.28Å; D488-N492 PolarHBondContact N-O 2.99Å; D488-N492 PolarHBondContact OD1-N 3.4Å
489R89.6Confident86.8Confident154 Ų15455.2 Ų55.258%0.58126%0.261SS*.THydrogen-bonded Turntrans-60.4-27.3175.1-179.2-177.7-74.1-176.6-5.8113.7Y455 D456Y455-R489 PolarHBondContact O-NH2 3.47Å; D456-R489 WeakPolarHBondContact O-CB 2.84Å; D456-R489 PolarHBondContact O-N 2.99Å; D456-R489 IonicContact OD1-CZ 3.85Å; D456-R489 VanDerWaalsContact OD1-CZ 3.25Å; D456-R489 IonicContact OD1-NE 2.79Å; D456-R489 PolarHBondContact OD1-NE 3.35Å; D456-R489 IonicContact OD1-NH1 3.09Å; D456-R489 PolarHBondContact OD1-NH1 3.43Å; D456-R489 IonicContact OD1-NH2 2.8Å
490W86.5Confident87Confident160 Ų16056.5 Ų56.561%0.60627%0.265SS*.THydrogen-bonded Turntrans-89.8-3.9-179.7-62.9-81.1000113D456 D488 N492D456-W490 HydrophobicContact CB-CH2 4.13Å; D456-W490 HydrophobicContact CB-CZ3 3.88Å; D456-W490 VanDerWaalsContact CG-CH2 3.41Å; D456-W490 WeakPolarHBondContact OD2-CH2 3.35Å; D488-W490 HydrophobicContact CB-CE3 4.46Å; D488-W490 PolarHBondContact O-N 3.49Å; D488-W490 VanDerWaalsContact OD1-C 3.28Å; D488-W490 VanDerWaalsContact OD1-CA 3.3Å; D488-W490 WeakPolarHBondContact OD1-CA 3.02Å; D488-W490 PolarHBondContact OD1-N 3.39Å; W490-N492 VanDerWaalsContact C-N 3.32Å
491G86.6Confident87.4Confident35 Ų3560.5 Ų60.536%0.36128%0.279SS..SBendtrans84.76.4-17900000113.8D488D488-G491 PolarHBondContact O-N 3.4Å; D488-G491 PolarHBondContact OD1-N 3.28Å
492N89.6Confident87.7Confident46 Ų4655.5 Ų55.525%0.24627%0.27CS..  trans-80.3144.6177.8-63.8-19.9000110.3K487 D488 W490 D496K487-N492 WeakPolarHBondContact CA-O 3.31Å; D488-N492 PolarHBondContact N-O 2.99Å; D488-N492 PolarHBondContact OD1-N 3.4Å; W490-N492 VanDerWaalsContact C-N 3.32Å; N492-D496 HydrophobicContact CB-CB 4.12Å
493T90.5Very high88Confident17 Ų1758.4 Ų58.410%0.10428%0.283CS..  trans-92.7165.2168.366.70000110.3K487 L495 D496 D497K487-T493 HydrophobicContact CG-CG2 4.26Å; T493-L495 PolarHBondContact O-N 3.47Å; T493-D496 WeakPolarHBondContact CB-OD2 3.39Å; T493-D496 PolarHBondContact N-OD2 2.81Å; T493-D496 WeakPolarHBondContact O-CB 3.21Å; T493-D496 PolarHBondContact O-N 2.85Å; T493-D496 PolarHBondContact OG1-N 2.78Å; T493-D496 PolarHBondContact OG1-OD2 3.17Å; T493-D497 PolarHBondContact O-N 2.84Å
494P88.9Confident88.1Confident1 Ų162.1 Ų62.11%0.00630%0.303CS..Hα-helixtrans-56.3-27.2175-22.832000113.4L461 H462 A465 P484 A498 L510L461-P494 HydrophobicContact CB-CG 4.48Å; L461-P494 HydrophobicContact CD2-CB 4.26Å; L461-P494 HydrophobicContact CD2-CG 4.05Å; L461-P494 HydrophobicContact CG-CB 4.01Å; L461-P494 HydrophobicContact CG-CG 4.13Å; H462-P494 WeakPolarHBondContact NE2-CD 3.46Å; A465-P494 HydrophobicContact CB-CB 4.29Å; A465-P494 WeakPolarHBondContact CB-O 3.49Å; P484-P494 WeakPolarHBondContact O-CD 3.45Å; P494-A498 PolarHBondContact O-N 2.88Å; P494-A498 VanDerWaalsContact O-N 3.12Å; P494-L510 HydrophobicContact CB-CD1 4.36Å
495L89.9Confident88.3Confident16 Ų1666.6 Ų66.68%0.08433%0.33CS..Hα-helixtrans-71.7-42.7175.4-179.466.5000111.5T493 D497 A498 M499 I507 L510 Q511T493-L495 PolarHBondContact O-N 3.47Å; L495-D497 VanDerWaalsContact C-N 3.31Å; L495-A498 PolarHBondContact O-N 3.29Å; L495-M499 HydrophobicContact CD1-CE 4.08Å; L495-M499 HydrophobicContact CD2-CE 4.09Å; L495-M499 HydrophobicContact CG-CE 3.95Å; L495-M499 WeakPolarHBondContact O-CG 3.41Å; L495-M499 PolarHBondContact O-N 3.22Å; L495-I507 HydrophobicContact CD1-CB 4.42Å; L495-I507 HydrophobicContact CD1-CG2 4.01Å; L495-L510 HydrophobicContact CD1-CB 3.97Å; L495-Q511 HydrophobicContact CD1-CG 3.87Å; L495-Q511 HydrophobicContact CD2-CG 4.15Å
496D89.1Confident88.5Confident66 Ų6662.9 Ų62.935%0.35332%0.316SS..Hα-helixtrans-64.5-39.7178.1-56-46.4000110.4N492 T493 M499 Q500N492-D496 HydrophobicContact CB-CB 4.12Å; T493-D496 WeakPolarHBondContact CB-OD2 3.39Å; T493-D496 PolarHBondContact N-OD2 2.81Å; T493-D496 WeakPolarHBondContact O-CB 3.21Å; T493-D496 PolarHBondContact O-N 2.85Å; T493-D496 PolarHBondContact OG1-N 2.78Å; T493-D496 PolarHBondContact OG1-OD2 3.17Å; D496-M499 PolarHBondContact O-N 3.07Å; D496-Q500 WeakPolarHBondContact O-CB 3.47Å; D496-Q500 PolarHBondContact O-N 3.45Å
497D87.8Confident88.7Confident11 Ų1163.4 Ų63.46%0.05932%0.319CS..Hα-helixtrans-60.9-47.1173-74.4-11.4000111.1H462 T493 L495 M499 Q500 F501H462-D497 IonicContact CD2-OD2 3.46Å; H462-D497 PolarHBondContact CD2-OD2 3.07Å; H462-D497 IonicContact CG-OD2 2.78Å; T493-D497 PolarHBondContact O-N 2.84Å; L495-D497 VanDerWaalsContact C-N 3.31Å; D497-M499 VanDerWaalsContact C-N 3.29Å; D497-M499 PolarHBondContact O-N 3.14Å; D497-Q500 PolarHBondContact O-N 2.81Å; D497-F501 WeakPolarHBondContact O-CD2 3.48Å; D497-F501 PolarHBondContact O-N 2.89Å; D497-F501 VanDerWaalsContact O-N 3.1Å
498A90.4Very high88.7Confident0 Ų060.8 Ų60.80%032%0.317CS..Hα-helixtrans-61.5-36.4176.800000112.8A465 P494 L495 G502 H503 V506 I507 L510A465-A498 HydrophobicContact CB-CB 4.3Å; P494-A498 PolarHBondContact O-N 2.88Å; P494-A498 VanDerWaalsContact O-N 3.12Å; L495-A498 PolarHBondContact O-N 3.29Å; A498-G502 PolarHBondContact O-N 3.4Å; A498-G502 VanDerWaalsContact O-N 3.09Å; A498-H503 PolarHBondContact O-N 2.83Å; A498-V506 HydrophobicContact CB-CG1 3.98Å; A498-I507 HydrophobicContact CB-CG1 3.81Å; A498-L510 HydrophobicContact CB-CD1 4.14Å
499M88.9Confident88.6Confident91 Ų9162.2 Ų62.245%0.44833%0.326SS..Hα-helixtrans-68.5-40.9174.5-73.4-175-179.600112L495 D496 D497 F501 G502 I507L495-M499 HydrophobicContact CD1-CE 4.08Å; L495-M499 HydrophobicContact CD2-CE 4.09Å; L495-M499 HydrophobicContact CG-CE 3.95Å; L495-M499 WeakPolarHBondContact O-CG 3.41Å; L495-M499 PolarHBondContact O-N 3.22Å; D496-M499 PolarHBondContact O-N 3.07Å; D497-M499 VanDerWaalsContact C-N 3.29Å; D497-M499 PolarHBondContact O-N 3.14Å; M499-F501 VanDerWaalsContact C-N 3.32Å; M499-F501 PolarHBondContact O-N 2.88Å; M499-G502 PolarHBondContact O-N 2.94Å; M499-I507 HydrophobicContact CB-CD1 4.41Å; M499-I507 HydrophobicContact CE-CG2 4.07Å; M499-I507 HydrophobicContact CG-CD1 3.83Å; M499-I507 HydrophobicContact CG-CG1 4.07Å
500Q88.5Confident88.5Confident134 Ų13455 Ų5563%0.62630%0.298SS*.Hα-helixtrans-63-38.1179.3-177.1174.9-7.100112.2D496 D497D496-Q500 WeakPolarHBondContact O-CB 3.47Å; D496-Q500 PolarHBondContact O-N 3.45Å; D497-Q500 PolarHBondContact O-N 2.81Å
501F88.2Confident88.5Confident117 Ų11751.3 Ų51.351%0.51329%0.288SS..Hα-helixtrans-89.7-5.4177.8-65.2-70.7000114.1A466 D497 M499A466-F501 HydrophobicContact CB-CD2 3.72Å; A466-F501 HydrophobicContact CB-CE2 3.63Å; D497-F501 WeakPolarHBondContact O-CD2 3.48Å; D497-F501 PolarHBondContact O-N 2.89Å; D497-F501 VanDerWaalsContact O-N 3.1Å; M499-F501 VanDerWaalsContact C-N 3.32Å; M499-F501 PolarHBondContact O-N 2.88Å
502G88.6Confident88.4Confident45 Ų4556.2 Ų56.246%0.46430%0.299SS..THydrogen-bonded Turntrans7538.5173.700000114.7A498 M499 D504A498-G502 PolarHBondContact O-N 3.4Å; A498-G502 VanDerWaalsContact O-N 3.09Å; M499-G502 PolarHBondContact O-N 2.94Å; G502-D504 PolarHBondContact O-N 3.23Å
503H90.4Very high88.2Confident60 Ų6054.8 Ų54.828%0.27829%0.291SS..  trans-97.178.7-178.6-64.9-46.3000112.9A465 A466 G468 A498 V505 V506 I507A465-H503 PolarHBondContact O-CD2 3.29Å; A466-H503 PolarHBondContact O-NE2 3.19Å; G468-H503 VanDerWaalsContact CA-CD2 3.5Å; G468-H503 WeakPolarHBondContact CA-CD2 3.38Å; A498-H503 PolarHBondContact O-N 2.83Å; H503-V505 VanDerWaalsContact C-N 3.3Å; H503-V505 PolarHBondContact O-N 3.21Å; H503-V505 VanDerWaalsContact O-N 3.15Å; H503-V506 HydrophobicContact CB-CB 4.11Å; H503-V506 HydrophobicContact CB-CG2 4.29Å; H503-V506 PolarHBondContact O-N 3.12Å; H503-I507 WeakPolarHBondContact O-CG1 3.02Å; H503-I507 PolarHBondContact O-N 3.29Å
504D87.1Confident87.8Confident121 Ų12155.5 Ų55.565%0.64729%0.293SS*.Hα-helixtrans-51.4-39.9-173.9-60.1-35.3000115.1G502 S508G502-D504 PolarHBondContact O-N 3.23Å; D504-S508 PolarHBondContact O-N 2.75Å; D504-S508 VanDerWaalsContact O-N 3.09Å; D504-S508 PolarHBondContact O-OG 2.6Å
505V88.8Confident87.3Confident95 Ų9561.8 Ų61.858%0.57632%0.322SS*.Hα-helixtrans-68.3-42-179.5-174.20000110.9T470 H503 S508 V509T470-V505 HydrophobicContact CG2-CB 4.03Å; T470-V505 HydrophobicContact CG2-CG1 3.58Å; H503-V505 VanDerWaalsContact C-N 3.3Å; H503-V505 PolarHBondContact O-N 3.21Å; H503-V505 VanDerWaalsContact O-N 3.15Å; V505-S508 PolarHBondContact O-N 3.38Å; V505-V509 WeakPolarHBondContact O-CG2 3.44Å; V505-V509 PolarHBondContact O-N 3.1Å
506V87.8Confident86.7Confident2 Ų265.8 Ų65.81%0.01234%0.34CS..Hα-helixtrans-69.4-40178.41740000110.7A465 T470 V473 A498 H503 S508 V509 L510A465-V506 HydrophobicContact CB-CG1 4.14Å; T470-V506 HydrophobicContact CG2-CG2 4Å; V473-V506 HydrophobicContact CG1-CG1 4.36Å; V473-V506 HydrophobicContact CG2-CG1 4.04Å; A498-V506 HydrophobicContact CB-CG1 3.98Å; H503-V506 HydrophobicContact CB-CB 4.11Å; H503-V506 HydrophobicContact CB-CG2 4.29Å; H503-V506 PolarHBondContact O-N 3.12Å; V506-S508 VanDerWaalsContact C-N 3.31Å; V506-S508 PolarHBondContact O-N 2.89Å; V506-V509 PolarHBondContact O-N 2.83Å; V506-L510 HydrophobicContact CG1-CD1 3.73Å; V506-L510 HydrophobicContact CG1-CG 4.14Å; V506-L510 WeakPolarHBondContact O-CB 3.5Å; V506-L510 WeakPolarHBondContact O-CG 2.87Å; V506-L510 PolarHBondContact O-N 3.2Å
507I88.6Confident86.1Confident21 Ų2165.4 Ų65.411%0.10833%0.334CS..Hα-helixtrans-56.1-47.3175-67.1165.1000110.3L495 A498 M499 H503 V509 L510 Q511L495-I507 HydrophobicContact CD1-CB 4.42Å; L495-I507 HydrophobicContact CD1-CG2 4.01Å; A498-I507 HydrophobicContact CB-CG1 3.81Å; M499-I507 HydrophobicContact CB-CD1 4.41Å; M499-I507 HydrophobicContact CE-CG2 4.07Å; M499-I507 HydrophobicContact CG-CD1 3.83Å; M499-I507 HydrophobicContact CG-CG1 4.07Å; H503-I507 WeakPolarHBondContact O-CG1 3.02Å; H503-I507 PolarHBondContact O-N 3.29Å; I507-V509 VanDerWaalsContact C-N 3.34Å; I507-V509 PolarHBondContact O-N 3.31Å; I507-L510 PolarHBondContact O-N 3.41Å; I507-Q511 HydrophobicContact CG2-CG 4.32Å; I507-Q511 WeakPolarHBondContact O-CB 3.07Å; I507-Q511 VanDerWaalsContact O-CG 3.3Å; I507-Q511 WeakPolarHBondContact O-CG 3.34Å; I507-Q511 PolarHBondContact O-N 2.91Å
508S88.3Confident85Confident73 Ų7370.7 Ų70.751%0.5136%0.356SS..Hα-helixtrans-61.2-42.3179.4-57.80000112.1D504 V505 V506 K512D504-S508 PolarHBondContact O-N 2.75Å; D504-S508 VanDerWaalsContact O-N 3.09Å; D504-S508 PolarHBondContact O-OG 2.6Å; V505-S508 PolarHBondContact O-N 3.38Å; V506-S508 VanDerWaalsContact C-N 3.31Å; V506-S508 PolarHBondContact O-N 2.89Å; S508-K512 WeakPolarHBondContact O-CB 3.48Å; S508-K512 PolarHBondContact O-N 2.74Å
509V87.8Confident83.5Confident42 Ų4276.5 Ų76.526%0.25539%0.387SS..Hα-helixtrans-66.8-45177.7173.70000111.2V473 V505 V506 I507 K512 Y513V473-V509 HydrophobicContact CG1-CG1 4.11Å; V505-V509 WeakPolarHBondContact O-CG2 3.44Å; V505-V509 PolarHBondContact O-N 3.1Å; V506-V509 PolarHBondContact O-N 2.83Å; I507-V509 VanDerWaalsContact C-N 3.34Å; I507-V509 PolarHBondContact O-N 3.31Å; V509-K512 PolarHBondContact O-N 3.46Å; V509-Y513 WeakPolarHBondContact O-CB 3.28Å; V509-Y513 PolarHBondContact O-N 3.36Å
510L85.6Confident82Confident2 Ų274.9 Ų74.91%0.0139%0.385CS..Hα-helixtrans-68.4-39.9-179.5-72.6175.2000112.5L461 A465 V473 T477 P494 L495 A498 V506 I507 Y513 Q514L461-L510 HydrophobicContact CD1-CD2 4.05Å; L461-L510 HydrophobicContact CD2-CD2 4.23Å; L461-L510 HydrophobicContact CG-CD2 4.32Å; A465-L510 HydrophobicContact CB-CD1 3.97Å; V473-L510 HydrophobicContact CG1-CD2 3.85Å; V473-L510 HydrophobicContact CG1-CG 4.16Å; T477-L510 HydrophobicContact CG2-CD2 4.25Å; P494-L510 HydrophobicContact CB-CD1 4.36Å; L495-L510 HydrophobicContact CD1-CB 3.97Å; A498-L510 HydrophobicContact CB-CD1 4.14Å; V506-L510 HydrophobicContact CG1-CD1 3.73Å; V506-L510 HydrophobicContact CG1-CG 4.14Å; V506-L510 WeakPolarHBondContact O-CB 3.5Å; V506-L510 WeakPolarHBondContact O-CG 2.87Å; V506-L510 PolarHBondContact O-N 3.2Å; I507-L510 PolarHBondContact O-N 3.41Å; L510-Y513 PolarHBondContact O-N 3.47Å; L510-Q514 WeakPolarHBondContact O-CB 3.36Å; L510-Q514 WeakPolarHBondContact O-CG 3.19Å; L510-Q514 PolarHBondContact O-N 3.32Å
511Q86.4Confident80.3Confident82 Ų8271 Ų7138%0.38337%0.373SS..Hα-helixtrans-61.4-45.5174.9-76.8177-16.400111.3L495 I507 Y513 Q514 H515L495-Q511 HydrophobicContact CD1-CG 3.87Å; L495-Q511 HydrophobicContact CD2-CG 4.15Å; I507-Q511 HydrophobicContact CG2-CG 4.32Å; I507-Q511 WeakPolarHBondContact O-CB 3.07Å; I507-Q511 VanDerWaalsContact O-CG 3.3Å; I507-Q511 WeakPolarHBondContact O-CG 3.34Å; I507-Q511 PolarHBondContact O-N 2.91Å; Q511-Y513 VanDerWaalsContact C-N 3.32Å; Q511-Y513 PolarHBondContact O-N 3.03Å; Q511-Q514 PolarHBondContact O-N 3.46Å; Q511-H515 PolarHBondContact O-CD2 3.27Å; Q511-H515 PolarHBondContact O-N 3.41Å
512K85.7Confident78.1Confident138 Ų13869 Ų6960%0.637%0.373SS*.Hα-helixtrans-59.5-45.7175.6-171.2-178.2-180-170.10111.2S508 V509 H515 E516S508-K512 WeakPolarHBondContact O-CB 3.48Å; S508-K512 PolarHBondContact O-N 2.74Å; V509-K512 PolarHBondContact O-N 3.46Å; K512-H515 PolarHBondContact O-N 3.34Å; K512-E516 VanDerWaalsContact CE-OE1 3.24Å; K512-E516 WeakPolarHBondContact CE-OE1 3.31Å; K512-E516 IonicContact NZ-OE1 4Å; K512-E516 PolarHBondContact O-N 3.06Å
513Y84.8Confident75.9Confident17 Ų1771 Ų717%0.06738%0.38CS..Hα-helixtrans-67.5-36.1179.6-176.8-109.9000113.1T477 K481 V482 P484 V509 L510 Q511 H515 E516 Y517T477-Y513 HydrophobicContact CG2-CD1 3.54Å; T477-Y513 HydrophobicContact CG2-CD2 4.33Å; T477-Y513 HydrophobicContact CG2-CE1 3.81Å; T477-Y513 HydrophobicContact CG2-CG 3.82Å; T477-Y513 WeakPolarHBondContact O-CE2 3.46Å; T477-Y513 PolarHBondContact O-OH 3.01Å; K481-Y513 VanDerWaalsContact C-OH 3.26Å; K481-Y513 VanDerWaalsContact CA-OH 3.25Å; K481-Y513 WeakPolarHBondContact CA-OH 3.36Å; V482-Y513 WeakPolarHBondContact O-CE1 3.45Å; V482-Y513 PolarHBondContact O-OH 3.04Å; V482-Y513 VanDerWaalsContact O-OH 3.11Å; P484-Y513 HydrophobicContact CB-CD1 3.99Å; P484-Y513 HydrophobicContact CB-CE1 4.09Å; P484-Y513 HydrophobicContact CG-CD1 3.97Å; P484-Y513 HydrophobicContact CG-CE1 3.87Å; V509-Y513 WeakPolarHBondContact O-CB 3.28Å; V509-Y513 PolarHBondContact O-N 3.36Å; L510-Y513 PolarHBondContact O-N 3.47Å; Q511-Y513 VanDerWaalsContact C-N 3.32Å; Q511-Y513 PolarHBondContact O-N 3.03Å; Y513-H515 VanDerWaalsContact C-N 3.3Å; Y513-H515 PolarHBondContact O-N 3.42Å; Y513-E516 PolarHBondContact O-N 3.38Å; Y513-Y517 HydrophobicContact CE1-CD2 4.27Å; Y513-Y517 AromaticContact CZ-CD2 3.97Å; Y513-Y517 VanDerWaalsContact O-CB 3.28Å; Y513-Y517 WeakPolarHBondContact O-CB 3.49Å; Y513-Y517 PolarHBondContact O-N 2.93Å
514Q82.8Confident73.5Confident32 Ų3273.3 Ų73.315%0.1540%0.399CS..Hα-helixtrans-61.5-38.1173.4-80.1-176.7-5.500112.3P484 Y485 L510 Q511 K518P484-Q514 HydrophobicContact CB-CG 3.95Å; P484-Q514 HydrophobicContact CG-CG 4.05Å; Y485-Q514 HydrophobicContact CE1-CG 4.18Å; Y485-Q514 PolarHBondContact OH-O 3.32Å; Y485-Q514 VanDerWaalsContact OH-O 3.1Å; L510-Q514 WeakPolarHBondContact O-CB 3.36Å; L510-Q514 WeakPolarHBondContact O-CG 3.19Å; L510-Q514 PolarHBondContact O-N 3.32Å; Q511-Q514 PolarHBondContact O-N 3.46Å; Q514-K518 PolarHBondContact O-N 2.82Å
515H78.5Confident70.9Confident133 Ų13376 Ų7662%0.61641%0.407SS*.Hα-helixtrans-65.1-49.2172.9-78.3-67.3000111.7Q511 K512 Y513 Y517 K518 D519Q511-H515 PolarHBondContact O-CD2 3.27Å; Q511-H515 PolarHBondContact O-N 3.41Å; K512-H515 PolarHBondContact O-N 3.34Å; Y513-H515 VanDerWaalsContact C-N 3.3Å; Y513-H515 PolarHBondContact O-N 3.42Å; H515-Y517 VanDerWaalsContact C-N 3.3Å; H515-Y517 PolarHBondContact O-N 3.03Å; H515-K518 PolarHBondContact O-N 3.19Å; H515-D519 PolarHBondContact O-N 3.22Å
516E76.9Confident68.2Low100 Ų10080.1 Ų80.147%0.46742%0.42SS..Hα-helixtrans-61.6-36.3178-70.2175.5-177.300112.7K512 Y513 S520K512-E516 VanDerWaalsContact CE-OE1 3.24Å; K512-E516 WeakPolarHBondContact CE-OE1 3.31Å; K512-E516 IonicContact NZ-OE1 4Å; K512-E516 PolarHBondContact O-N 3.06Å; Y513-E516 PolarHBondContact O-N 3.38Å; E516-S520 PolarHBondContact O-N 3.34Å
517Y75.3Confident65.6Low58 Ų5889 Ų8923%0.22746%0.459CS..Hα-helixtrans-69.8-40.1179.4-164.5-88.2000112P484 Y485 Y513 H515 D519 S520 S521P484-Y517 HydrophobicContact CG-CD1 4.38Å; P484-Y517 HydrophobicContact CG-CG 4.12Å; Y485-Y517 HydrophobicContact CD2-CD1 4.19Å; Y485-Y517 HydrophobicContact CD2-CE1 4.48Å; Y485-Y517 AromaticContact CE2-CD1 3.96Å; Y485-Y517 HydrophobicContact CE2-CD1 3.96Å; Y513-Y517 HydrophobicContact CE1-CD2 4.27Å; Y513-Y517 AromaticContact CZ-CD2 3.97Å; Y513-Y517 VanDerWaalsContact O-CB 3.28Å; Y513-Y517 WeakPolarHBondContact O-CB 3.49Å; Y513-Y517 PolarHBondContact O-N 2.93Å; H515-Y517 VanDerWaalsContact C-N 3.3Å; H515-Y517 PolarHBondContact O-N 3.03Å; Y517-D519 VanDerWaalsContact C-N 3.34Å; Y517-D519 PolarHBondContact O-N 2.94Å; Y517-S520 PolarHBondContact O-N 3.29Å; Y517-S520 PolarHBondContact O-OG 3.22Å; Y517-S521 PolarHBondContact O-N 3.11Å
518K65.4Low62.9Low121 Ų12195.7 Ų95.753%0.52650%0.495SS..Hα-helixtrans-58.4-44.4174.3-94.3176.9176.2179.50112.2Y485 Q514 H515 S520 S521 S522Y485-K518 HydrophobicContact CE2-CG 4.49Å; Y485-K518 WeakPolarHBondContact OH-CE 3.44Å; Y485-K518 WeakPolarHBondContact OH-CG 3.37Å; Q514-K518 PolarHBondContact O-N 2.82Å; H515-K518 PolarHBondContact O-N 3.19Å; K518-S520 VanDerWaalsContact C-N 3.27Å; K518-S520 PolarHBondContact O-N 3.3Å; K518-S521 PolarHBondContact O-N 3.15Å; K518-S521 PolarHBondContact O-OG 2.91Å; K518-S522 PolarHBondContact O-N 3.24Å; K518-S522 PolarHBondContact O-OG 3.36Å
519D58.9Low60.3Low122 Ų12298.1 Ų98.165%0.65251%0.509SS*.Hα-helixtrans-66.5-29.7178.5-68.7-19.4000112.4H515 Y517 S522H515-D519 PolarHBondContact O-N 3.22Å; Y517-D519 VanDerWaalsContact C-N 3.34Å; Y517-D519 PolarHBondContact O-N 2.94Å; D519-S522 PolarHBondContact O-OG 3.42Å; D519-S522 VanDerWaalsContact O-OG 3.09Å
520S58.1Low57.6Low57 Ų57100.4 Ų100.440%0.39953%0.532SS..Hα-helixtrans-75.3-37.5174.774.80000113.1E516 Y517 K518 S523 T524E516-S520 PolarHBondContact O-N 3.34Å; Y517-S520 PolarHBondContact O-N 3.29Å; Y517-S520 PolarHBondContact O-OG 3.22Å; K518-S520 VanDerWaalsContact C-N 3.27Å; K518-S520 PolarHBondContact O-N 3.3Å; S520-S523 PolarHBondContact O-N 2.87Å; S520-S523 PolarHBondContact O-OG 3.25Å; S520-T524 PolarHBondContact O-OG1 3.42Å
521S51.8Low55.1Low52 Ų52109.4 Ų109.436%0.36458%0.577SS.*Hα-helixtrans-70.6-32.7-177.964.70000113.8Y517 K518 S523 T524Y517-S521 PolarHBondContact O-N 3.11Å; K518-S521 PolarHBondContact O-N 3.15Å; K518-S521 PolarHBondContact O-OG 2.91Å; S521-S523 VanDerWaalsContact C-N 3.27Å; S521-S523 PolarHBondContact O-N 3.48Å; S521-T524 PolarHBondContact O-N 3.31Å; S521-T524 PolarHBondContact O-OG1 2.95Å
522S43.7Very low52.4Low76 Ų76113 Ų11353%0.53160%0.599SS.*Hα-helixtrans-70.4-21.9175.558.40000113.1K518 D519K518-S522 PolarHBondContact O-N 3.24Å; K518-S522 PolarHBondContact O-OG 3.36Å; D519-S522 PolarHBondContact O-OG 3.42Å; D519-S522 VanDerWaalsContact O-OG 3.09Å
523S41.9Very low50.1Low87 Ų87112.6 Ų112.661%0.60861%0.608SS**Hα-helixtrans-83.3-15.5177.572.60000114.3S520 S521S520-S523 PolarHBondContact O-N 2.87Å; S520-S523 PolarHBondContact O-OG 3.25Å; S521-S523 VanDerWaalsContact C-N 3.27Å; S521-S523 PolarHBondContact O-N 3.48Å
524T38.6Very low47.6Very low109 Ų109120.4 Ų120.467%0.66965%0.647SS**Hα-helixtrans-92.4-14.5-178.5280000114.9S520 S521 E526S520-T524 PolarHBondContact O-OG1 3.42Å; S521-T524 PolarHBondContact O-N 3.31Å; S521-T524 PolarHBondContact O-OG1 2.95Å; T524-E526 VanDerWaalsContact C-N 3.33Å; T524-E526 PolarHBondContact O-N 3.2Å
525E33.6Very low45.2Very low176 Ų176128.2 Ų128.282%0.82268%0.68SS**THydrogen-bonded Turntrans-78.9-8.3-179.7-74.7-170.415600114.5
526E32.8Very low42.9Very low182 Ų182129 Ų12985%0.8569%0.689SS**THydrogen-bonded Turntrans-949.6-177-83.5-167.9161.800116.5T524T524-E526 VanDerWaalsContact C-N 3.33Å; T524-E526 PolarHBondContact O-N 3.2Å
527K32.4Very low40.8Very low190 Ų190129.4 Ų129.483%0.82670%0.703SS**  trans-124.769.2174.5-76.1-173.2179.7176.80113.7
528N32.2Very low39Very low161 Ų161137.1 Ų137.186%0.86176%0.756SS**  trans-126.592.2149.9-97.3-16.8000108.9
529P34Very low37.7Very low123 Ų123138 Ų13880%0.79977%0.767SS**  trans-80122.115525.4-13.9000108
530A30.1Very low36.5Very low91 Ų91138.8 Ų138.875%0.75277%0.773SS**  trans-47.9153.1173.600000113D532A530-D532 PolarHBondContact O-N 3.08Å
531M33.5Very low35.3Very low191 Ų191143.3 Ų143.394%0.94179%0.794SS**  trans-37.7124.3159.2-74.2176.6171.100111.2
532D30.4Very low34.4Very low158 Ų158148.7 Ų148.785%0.84582%0.819SS**  trans-136.4124.9151.5-112.1-24.3000110.7A530A530-D532 PolarHBondContact O-N 3.08Å
533T36.8Very low33.8Very low128 Ų128153.3 Ų153.379%0.78584%0.837SS**  trans-51.5130176.226.70000115.2
534M31Very low33.3Very low182 Ų182157.7 Ų157.790%0.89785%0.853SS**  trans-153.6103.7142.4-75.6-155.7-172.900108.2
535K33.8Very low32.9Very low195 Ų195161.1 Ų161.185%0.84887%0.866SS**  25111.398.7-81.1-173.8177.6177.60114.7
536N30.6Very low32.8Very low151 Ų151160 Ų16081%0.80787%0.869SS**  trans-165.6110.8140.2-86.1-23.5000105.4
537S32.2Very low32.8Very low107 Ų107158.2 Ų158.275%0.74887%0.871SS**  53.886.966.3-43.30000111.5
538V36.8Very low32.9Very low221 Ų221155.3 Ų155.3100%1.33988%0.875SS**  -168.20113.5162.80000107.5

Retrieved 538 of 538 residues in 1025.5 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).