A0A5K4EKW5_SCHMA Loading...

Homeobox protein six-related

AlphaFold DB (G4LYP5), UniProt , Accession A0A5K4EKW5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 271 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.4Very low78.7Confident234 Ų23490.8 Ų90.8100%1.15348%0.475SS*.  0118.80-70.3-177.5178.900107.2
2S62.2Low79.9Confident60 Ų6089.6 Ų89.642%0.4248%0.478SS..  trans-63.1133.5170.5178.40000107.8S34S2-S34 PolarHBondContact OG-OG 3.35Å
3M64.9Low81Confident72 Ų7286.6 Ų86.636%0.35546%0.461SS..  trans-87.2127.1171.8-68.2-165.6-128.100109.1F5 K32M3-F5 HydrophobicContact CB-CD2 3.76Å; M3-F5 HydrophobicContact CB-CE2 3.49Å; M3-F5 VanDerWaalsContact CB-CE2 3.49Å; M3-F5 HydrophobicContact CB-CZ 4.34Å; M3-F5 HydrophobicContact CG-CE2 4.05Å; M3-F5 PolarHBondContact O-N 3.46Å; M3-F5 HydrophobicContact SD-CE2 3.4Å; M3-F5 WeakPolarHBondContact SD-CE2 3.38Å; M3-F5 HydrophobicContact SD-CZ 3.7Å; M3-K32 HydrophobicContact CE-CB 4.26Å; M3-K32 HydrophobicContact CE-CD 3.52Å
4D72.6Confident81.9Confident153 Ų15380.4 Ų80.482%0.81843%0.428SS*.  trans-94.890.3176.2-68.2-18.1000109.3
5F78.2Confident82.7Confident68 Ų6878.8 Ų78.830%0.29842%0.417SS..  trans-101.6153.1169.3-68.1-69.9000110M3 Q9 I10 I13 F29M3-F5 HydrophobicContact CB-CD2 3.76Å; M3-F5 HydrophobicContact CB-CE2 3.49Å; M3-F5 VanDerWaalsContact CB-CE2 3.49Å; M3-F5 HydrophobicContact CB-CZ 4.34Å; M3-F5 HydrophobicContact CG-CE2 4.05Å; M3-F5 PolarHBondContact O-N 3.46Å; M3-F5 HydrophobicContact SD-CE2 3.4Å; M3-F5 WeakPolarHBondContact SD-CE2 3.38Å; M3-F5 HydrophobicContact SD-CZ 3.7Å; F5-Q9 HydrophobicContact CB-CB 4.09Å; F5-Q9 HydrophobicContact CD1-CB 4.36Å; F5-I10 HydrophobicContact CB-CD1 3.97Å; F5-I10 HydrophobicContact CB-CG1 3.48Å; F5-I10 VanDerWaalsContact CB-CG1 3.48Å; F5-I10 HydrophobicContact CD2-CG1 4.5Å; F5-I10 HydrophobicContact CG-CG1 4.38Å; F5-I13 HydrophobicContact CD1-CD1 4.38Å; F5-I13 HydrophobicContact CE1-CD1 4.3Å; F5-I13 HydrophobicContact CZ-CD1 4.37Å; F5-F29 HydrophobicContact CD2-CE2 4.02Å; F5-F29 HydrophobicContact CD2-CZ 4.29Å; F5-F29 AromaticContact CE2-CE2 3.73Å; F5-F29 HydrophobicContact CE2-CE2 3.73Å; F5-F29 HydrophobicContact CE2-CZ 4.42Å
6S86.8Confident83.6Confident57 Ų5778.3 Ų78.340%0.39942%0.418SS..  trans-68.4157.4168.3760000111N8 Q9 I10S6-N8 VanDerWaalsContact C-N 3.26Å; S6-N8 PolarHBondContact O-N 2.93Å; S6-Q9 WeakPolarHBondContact O-CB 2.99Å; S6-Q9 PolarHBondContact O-N 2.82Å; S6-Q9 VanDerWaalsContact OG-CG 3.29Å; S6-Q9 WeakPolarHBondContact OG-CG 3.23Å; S6-Q9 PolarHBondContact OG-N 2.69Å; S6-Q9 PolarHBondContact OG-OE1 3.3Å; S6-I10 WeakPolarHBondContact O-CG1 3.39Å; S6-I10 PolarHBondContact O-N 3.46Å
7L87.7Confident84.3Confident67 Ų6774.8 Ų74.835%0.35140%0.399SS..Hα-helixtrans-54.3-43.8178.5-179.362.6000112Q9 I10 E11 Y39 N42 I45L7-Q9 VanDerWaalsContact C-N 3.33Å; L7-Q9 PolarHBondContact O-N 3.1Å; L7-I10 PolarHBondContact O-N 3.48Å; L7-E11 WeakPolarHBondContact O-CB 3.31Å; L7-E11 PolarHBondContact O-N 2.99Å; L7-Y39 HydrophobicContact CD1-CD1 3.71Å; L7-Y39 HydrophobicContact CD1-CE1 4.01Å; L7-N42 HydrophobicContact CD1-CB 4.31Å; L7-I45 HydrophobicContact CD1-CD1 3.86Å
8N89.6Confident84.8Confident121 Ų12171.3 Ų71.365%0.64738%0.379SS*.Hα-helixtrans-65.1-36.2178.9-64.4-9.3000112.2S6 C12S6-N8 VanDerWaalsContact C-N 3.26Å; S6-N8 PolarHBondContact O-N 2.93Å; N8-C12 VanDerWaalsContact O-CB 3.23Å; N8-C12 WeakPolarHBondContact O-CB 3.14Å; N8-C12 PolarHBondContact O-N 3.1Å
9Q91.3Very high85.3Confident100 Ų10071.8 Ų71.847%0.46738%0.382SS..Hα-helixtrans-66.7-44.2175-75.3169.9-26.300110.8F5 S6 L7 C12 I13F5-Q9 HydrophobicContact CB-CB 4.09Å; F5-Q9 HydrophobicContact CD1-CB 4.36Å; S6-Q9 WeakPolarHBondContact O-CB 2.99Å; S6-Q9 PolarHBondContact O-N 2.82Å; S6-Q9 VanDerWaalsContact OG-CG 3.29Å; S6-Q9 WeakPolarHBondContact OG-CG 3.23Å; S6-Q9 PolarHBondContact OG-N 2.69Å; S6-Q9 PolarHBondContact OG-OE1 3.3Å; L7-Q9 VanDerWaalsContact C-N 3.33Å; L7-Q9 PolarHBondContact O-N 3.1Å; Q9-C12 PolarHBondContact O-N 3.16Å; Q9-I13 WeakPolarHBondContact O-CB 3.44Å; Q9-I13 WeakPolarHBondContact O-CD1 3.48Å; Q9-I13 WeakPolarHBondContact O-CG1 3.43Å; Q9-I13 PolarHBondContact O-N 3.07Å
10I91.1Very high85.8Confident0 Ų073.7 Ų73.70%039%0.392CS..Hα-helixtrans-63.4-46.5178.1-64.1169.5000110.4F5 S6 L7 I13 C14 F29 I33 Y39 I45F5-I10 HydrophobicContact CB-CD1 3.97Å; F5-I10 HydrophobicContact CB-CG1 3.48Å; F5-I10 VanDerWaalsContact CB-CG1 3.48Å; F5-I10 HydrophobicContact CD2-CG1 4.5Å; F5-I10 HydrophobicContact CG-CG1 4.38Å; S6-I10 WeakPolarHBondContact O-CG1 3.39Å; S6-I10 PolarHBondContact O-N 3.46Å; L7-I10 PolarHBondContact O-N 3.48Å; I10-I13 PolarHBondContact O-N 3.02Å; I10-C14 VanDerWaalsContact O-CB 3.32Å; I10-C14 WeakPolarHBondContact O-CB 3.37Å; I10-C14 PolarHBondContact O-N 3.2Å; I10-C14 PolarHBondContact O-SG 3.42Å; I10-F29 HydrophobicContact CG1-CZ 4.37Å; I10-F29 HydrophobicContact CG2-CE1 4Å; I10-F29 HydrophobicContact CG2-CZ 4.28Å; I10-I33 HydrophobicContact CD1-CG2 4.43Å; I10-I33 HydrophobicContact CG2-CD1 4.03Å; I10-Y39 HydrophobicContact CD1-CD1 4.3Å; I10-Y39 HydrophobicContact CD1-CE1 3.38Å; I10-Y39 VanDerWaalsContact CD1-CZ 3.49Å; I10-Y39 VanDerWaalsContact CD1-OH 3.31Å; I10-Y39 WeakPolarHBondContact CD1-OH 3.16Å; I10-I45 HydrophobicContact CB-CD1 4.32Å; I10-I45 HydrophobicContact CG2-CD1 3.59Å; I10-I45 HydrophobicContact CG2-CG1 4.16Å
11E92Very high86Confident67 Ų6773.8 Ų73.831%0.31339%0.391SS..Hα-helixtrans-57.5-49.2176.2176.9173.2177.800111.5L7 I13 C14 Q15 N42 V44L7-E11 WeakPolarHBondContact O-CB 3.31Å; L7-E11 PolarHBondContact O-N 2.99Å; E11-I13 PolarHBondContact O-N 3.37Å; E11-C14 PolarHBondContact O-N 3.44Å; E11-Q15 WeakPolarHBondContact O-CB 3.4Å; E11-Q15 PolarHBondContact O-N 3.3Å; E11-N42 PolarHBondContact OE2-ND2 2.92Å; E11-V44 HydrophobicContact CG-CB 4Å; E11-V44 HydrophobicContact CG-CG1 4.25Å; E11-V44 HydrophobicContact CG-CG2 4.03Å
12C93.7Very high88.2Confident76 Ų7666.3 Ų66.351%0.51435%0.353SS..Hα-helixtrans-59.1-48.5177.5-177.50000111.7N8 Q9 C14 Q15 V16N8-C12 VanDerWaalsContact O-CB 3.23Å; N8-C12 WeakPolarHBondContact O-CB 3.14Å; N8-C12 PolarHBondContact O-N 3.1Å; Q9-C12 PolarHBondContact O-N 3.16Å; C12-C14 PolarHBondContact O-N 3.26Å; C12-Q15 PolarHBondContact O-N 3.16Å; C12-V16 WeakPolarHBondContact O-CG2 3.29Å; C12-V16 PolarHBondContact O-N 3.47Å
13I93.4Very high89.7Confident51 Ų5165 Ų6526%0.26234%0.34SS..Hα-helixtrans-61.2-45.6178-66.1161.9000110.7F5 Q9 I10 E11 Q15 V16 L17 F29F5-I13 HydrophobicContact CD1-CD1 4.38Å; F5-I13 HydrophobicContact CE1-CD1 4.3Å; F5-I13 HydrophobicContact CZ-CD1 4.37Å; Q9-I13 WeakPolarHBondContact O-CB 3.44Å; Q9-I13 WeakPolarHBondContact O-CD1 3.48Å; Q9-I13 WeakPolarHBondContact O-CG1 3.43Å; Q9-I13 PolarHBondContact O-N 3.07Å; I10-I13 PolarHBondContact O-N 3.02Å; E11-I13 PolarHBondContact O-N 3.37Å; I13-Q15 PolarHBondContact O-N 3.46Å; I13-V16 PolarHBondContact O-N 3.39Å; I13-L17 HydrophobicContact CG2-CD1 3.74Å; I13-L17 HydrophobicContact CG2-CG 4.24Å; I13-L17 WeakPolarHBondContact O-CB 3.44Å; I13-L17 VanDerWaalsContact O-CG 3.26Å; I13-L17 WeakPolarHBondContact O-CG 3.34Å; I13-L17 PolarHBondContact O-N 3.05Å; I13-F29 HydrophobicContact CB-CE1 3.98Å; I13-F29 HydrophobicContact CB-CE2 4.42Å; I13-F29 HydrophobicContact CB-CZ 3.83Å; I13-F29 HydrophobicContact CD1-CE2 3.93Å; I13-F29 HydrophobicContact CD1-CZ 3.76Å; I13-F29 HydrophobicContact CG1-CZ 4.41Å; I13-F29 HydrophobicContact CG2-CD1 3.91Å; I13-F29 HydrophobicContact CG2-CD2 4.06Å; I13-F29 HydrophobicContact CG2-CE1 3.62Å; I13-F29 HydrophobicContact CG2-CE2 3.79Å; I13-F29 HydrophobicContact CG2-CG 4.12Å; I13-F29 HydrophobicContact CG2-CZ 3.57Å
14C94Very high91.2Very high0 Ų067.2 Ų67.20%035%0.354CS..Hα-helixtrans-59.4-45.9176.2-82.50000111.6I10 E11 C12 L17 Y18 L26 V44I10-C14 VanDerWaalsContact O-CB 3.32Å; I10-C14 WeakPolarHBondContact O-CB 3.37Å; I10-C14 PolarHBondContact O-N 3.2Å; I10-C14 PolarHBondContact O-SG 3.42Å; E11-C14 PolarHBondContact O-N 3.44Å; C12-C14 PolarHBondContact O-N 3.26Å; C14-L17 PolarHBondContact O-N 2.97Å; C14-Y18 WeakPolarHBondContact O-CB 3.24Å; C14-Y18 PolarHBondContact O-N 3.05Å; C14-L26 HydrophobicContact CB-CD1 4.48Å; C14-V44 HydrophobicContact CB-CG1 4.13Å
15Q93.9Very high92.2Very high56 Ų5667.2 Ų67.226%0.26234%0.343SS..Hα-helixtrans-63.1-43.4-179.9-169.660.763.800111.8E11 C12 I13 Y18 N19 V44E11-Q15 WeakPolarHBondContact O-CB 3.4Å; E11-Q15 PolarHBondContact O-N 3.3Å; C12-Q15 PolarHBondContact O-N 3.16Å; I13-Q15 PolarHBondContact O-N 3.46Å; Q15-Y18 PolarHBondContact O-N 3.2Å; Q15-N19 PolarHBondContact NE2-OD1 3.38Å; Q15-N19 WeakPolarHBondContact O-CB 3.42Å; Q15-N19 PolarHBondContact O-N 3.47Å; Q15-N19 PolarHBondContact O-ND2 3.17Å; Q15-N19 PolarHBondContact O-OD1 2.99Å; Q15-V44 HydrophobicContact CB-CG1 4.06Å
16V96.2Very high93Very high70 Ų7064 Ų6442%0.42433%0.329SS..Hα-helixtrans-63.1-52.6176.6171.20000110.6C12 I13 Y18 N19 D20C12-V16 WeakPolarHBondContact O-CG2 3.29Å; C12-V16 PolarHBondContact O-N 3.47Å; I13-V16 PolarHBondContact O-N 3.39Å; V16-Y18 PolarHBondContact O-N 2.7Å; V16-N19 PolarHBondContact O-N 3.49Å; V16-D20 WeakPolarHBondContact O-CB 3.23Å; V16-D20 PolarHBondContact O-N 3.13Å
17L95.6Very high93.3Very high19 Ų1965.4 Ų65.410%0.09933%0.327CS..Hα-helixtrans-61.7-33.6179.7-67.5175.8000112.5I13 C14 Q21 E22 R25 L26 F29I13-L17 HydrophobicContact CG2-CD1 3.74Å; I13-L17 HydrophobicContact CG2-CG 4.24Å; I13-L17 WeakPolarHBondContact O-CB 3.44Å; I13-L17 VanDerWaalsContact O-CG 3.26Å; I13-L17 WeakPolarHBondContact O-CG 3.34Å; I13-L17 PolarHBondContact O-N 3.05Å; C14-L17 PolarHBondContact O-N 2.97Å; L17-Q21 PolarHBondContact O-N 2.95Å; L17-E22 HydrophobicContact CD2-CB 4Å; L17-E22 PolarHBondContact O-N 2.97Å; L17-R25 HydrophobicContact CD2-CB 3.94Å; L17-L26 HydrophobicContact CB-CB 4.11Å; L17-L26 HydrophobicContact CB-CD1 4.09Å; L17-L26 HydrophobicContact CD1-CB 4.42Å; L17-L26 HydrophobicContact CD1-CD1 4.31Å; L17-F29 HydrophobicContact CD1-CB 4.08Å; L17-F29 HydrophobicContact CD1-CD1 4.4Å; L17-F29 HydrophobicContact CD1-CG 4.31Å
18Y94.2Very high93.5Very high12 Ų1265.2 Ų65.25%0.04733%0.329CS..Hα-helixtrans-67.6-48.4174.9-170.4-84.7000111.8C14 Q15 V16 Q21 L26 K47 L51 E78C14-Y18 WeakPolarHBondContact O-CB 3.24Å; C14-Y18 PolarHBondContact O-N 3.05Å; Q15-Y18 PolarHBondContact O-N 3.2Å; V16-Y18 PolarHBondContact O-N 2.7Å; Y18-Q21 PolarHBondContact O-N 3.03Å; Y18-L26 HydrophobicContact CD2-CD2 4.4Å; Y18-K47 HydrophobicContact CE2-CD 4.43Å; Y18-K47 HydrophobicContact CE2-CG 4.04Å; Y18-L51 HydrophobicContact CD2-CD2 3.74Å; Y18-L51 HydrophobicContact CE2-CB 4.25Å; Y18-L51 HydrophobicContact CE2-CD2 3.4Å; Y18-L51 VanDerWaalsContact CE2-CD2 3.4Å; Y18-L51 HydrophobicContact CE2-CG 4.43Å; Y18-E78 VanDerWaalsContact CE1-OE1 3.24Å; Y18-E78 WeakPolarHBondContact CE1-OE1 3.25Å; Y18-E78 VanDerWaalsContact CZ-OE1 3.27Å; Y18-E78 PolarHBondContact OH-OE1 3.25Å; Y18-E78 PolarHBondContact OH-OE2 3.38Å
19N93.8Very high93.6Very high82 Ų8260.4 Ų60.444%0.43930%0.303SS..Hα-helixtrans-65.7-39.4-179.5-71.6-5.2000112.2Q15 V16 Q21Q15-N19 PolarHBondContact NE2-OD1 3.38Å; Q15-N19 WeakPolarHBondContact O-CB 3.42Å; Q15-N19 PolarHBondContact O-N 3.47Å; Q15-N19 PolarHBondContact O-ND2 3.17Å; Q15-N19 PolarHBondContact O-OD1 2.99Å; V16-N19 PolarHBondContact O-N 3.49Å; N19-Q21 PolarHBondContact O-N 3.35Å
20D94.8Very high93.6Very high108 Ų10856.6 Ų56.658%0.57829%0.286SS*.THydrogen-bonded Turntrans-76.5-2.8178.2-67.7-10.8000112.8V16 E22V16-D20 WeakPolarHBondContact O-CB 3.23Å; V16-D20 PolarHBondContact O-N 3.13Å; D20-E22 HydrophobicContact CB-CG 3.99Å; D20-E22 PolarHBondContact O-N 3.27Å
21Q91.7Very high93.4Very high77 Ų7761 Ų6136%0.3632%0.316SS..THydrogen-bonded Turntrans59.327.9-177.7-51-173.7-5.700113.9L17 Y18 N19 I23 Y234L17-Q21 PolarHBondContact O-N 2.95Å; Y18-Q21 PolarHBondContact O-N 3.03Å; N19-Q21 PolarHBondContact O-N 3.35Å; Q21-I23 VanDerWaalsContact C-N 3.27Å; Q21-I23 WeakPolarHBondContact O-CG1 3.29Å; Q21-I23 PolarHBondContact O-N 2.86Å; Q21-Y234 HydrophobicContact CB-CD2 4.48Å; Q21-Y234 HydrophobicContact CB-CE2 4.3Å; Q21-Y234 HydrophobicContact CG-CD2 3.99Å; Q21-Y234 HydrophobicContact CG-CE2 4.31Å
22E94.9Very high93.2Very high77 Ų7762.5 Ų62.536%0.3632%0.322SS..  trans-84.364.3-178.4-76.8-87.8-140.700111.2L17 D20 D24 R25 L26L17-E22 HydrophobicContact CD2-CB 4Å; L17-E22 PolarHBondContact O-N 2.97Å; D20-E22 HydrophobicContact CB-CG 3.99Å; D20-E22 PolarHBondContact O-N 3.27Å; E22-D24 PolarHBondContact O-N 3.44Å; E22-R25 HydrophobicContact CB-CB 4.22Å; E22-R25 HydrophobicContact CB-CG 4.4Å; E22-R25 VanDerWaalsContact CD-CD 3.47Å; E22-R25 PolarHBondContact O-N 2.87Å; E22-R25 IonicContact OE1-NH1 3.38Å; E22-R25 PolarHBondContact OE1-NH1 3.44Å; E22-R25 VanDerWaalsContact OE2-CD 3.26Å; E22-R25 WeakPolarHBondContact OE2-CD 3.42Å; E22-L26 WeakPolarHBondContact O-CB 3.38Å; E22-L26 PolarHBondContact O-N 3.26Å
23I94Very high92.7Very high31 Ų3159.2 Ų59.216%0.15930%0.299CS..Hα-helixtrans-58.7-45.5-169.8-40.6178000112.5Q21 R25 L26 K27 V55 Y234 F239Q21-I23 VanDerWaalsContact C-N 3.27Å; Q21-I23 WeakPolarHBondContact O-CG1 3.29Å; Q21-I23 PolarHBondContact O-N 2.86Å; I23-R25 VanDerWaalsContact C-N 3.31Å; I23-R25 PolarHBondContact O-N 3.3Å; I23-L26 WeakPolarHBondContact O-CB 3.33Å; I23-L26 PolarHBondContact O-N 2.8Å; I23-K27 WeakPolarHBondContact O-CB 3.49Å; I23-K27 PolarHBondContact O-N 2.77Å; I23-V55 HydrophobicContact CG2-CB 4.49Å; I23-V55 HydrophobicContact CG2-CG1 4.31Å; I23-V55 HydrophobicContact CG2-CG2 3.89Å; I23-Y234 HydrophobicContact CD1-CE2 4.46Å; I23-Y234 WeakPolarHBondContact CD1-OH 3.47Å; I23-Y234 HydrophobicContact CG1-CE2 4.31Å; I23-Y234 WeakPolarHBondContact CG1-OH 3.43Å; I23-F239 HydrophobicContact CD1-CZ 4.3Å
24D95Very high91.4Very high120 Ų12059 Ų5964%0.64230%0.302SS*.Hα-helixtrans-66.4-37.6-177-69.6-50.1000111.4E22 T28E22-D24 PolarHBondContact O-N 3.44Å; D24-T28 WeakPolarHBondContact O-CB 3.5Å; D24-T28 PolarHBondContact O-N 2.97Å; D24-T28 PolarHBondContact O-OG1 3.24Å
25R95.2Very high90Very high152 Ų15264.7 Ų64.757%0.57434%0.337SS*.Hα-helixtrans-68.7-41.5174.3-57.8-178.178.8-174.91.2110.5L17 E22 I23 T28 F29L17-R25 HydrophobicContact CD2-CB 3.94Å; E22-R25 HydrophobicContact CB-CB 4.22Å; E22-R25 HydrophobicContact CB-CG 4.4Å; E22-R25 VanDerWaalsContact CD-CD 3.47Å; E22-R25 PolarHBondContact O-N 2.87Å; E22-R25 IonicContact OE1-NH1 3.38Å; E22-R25 PolarHBondContact OE1-NH1 3.44Å; E22-R25 VanDerWaalsContact OE2-CD 3.26Å; E22-R25 WeakPolarHBondContact OE2-CD 3.42Å; I23-R25 VanDerWaalsContact C-N 3.31Å; I23-R25 PolarHBondContact O-N 3.3Å; R25-T28 PolarHBondContact O-N 2.91Å; R25-F29 VanDerWaalsContact O-CB 3.25Å; R25-F29 WeakPolarHBondContact O-CB 3.36Å; R25-F29 PolarHBondContact O-N 2.74Å
26L94.1Very high88.6Confident1 Ų165 Ų651%0.00534%0.342CS..Hα-helixtrans-60.7-47.4175.1-178.860.5000111.9C14 L17 Y18 E22 I23 T28 F29 L30 C48 L51 V52C14-L26 HydrophobicContact CB-CD1 4.48Å; L17-L26 HydrophobicContact CB-CB 4.11Å; L17-L26 HydrophobicContact CB-CD1 4.09Å; L17-L26 HydrophobicContact CD1-CB 4.42Å; L17-L26 HydrophobicContact CD1-CD1 4.31Å; Y18-L26 HydrophobicContact CD2-CD2 4.4Å; E22-L26 WeakPolarHBondContact O-CB 3.38Å; E22-L26 PolarHBondContact O-N 3.26Å; I23-L26 WeakPolarHBondContact O-CB 3.33Å; I23-L26 PolarHBondContact O-N 2.8Å; L26-T28 PolarHBondContact O-N 3.41Å; L26-F29 PolarHBondContact O-N 2.93Å; L26-L30 HydrophobicContact CD1-CD1 3.96Å; L26-L30 HydrophobicContact CD1-CG 4.17Å; L26-L30 HydrophobicContact CG-CD1 4Å; L26-L30 WeakPolarHBondContact O-CB 3.39Å; L26-L30 WeakPolarHBondContact O-CG 3.25Å; L26-L30 PolarHBondContact O-N 3.27Å; L26-C48 HydrophobicContact CD1-CB 3.99Å; L26-C48 HydrophobicContact CD2-CB 3.96Å; L26-C48 HydrophobicContact CG-CB 4.37Å; L26-L51 HydrophobicContact CD2-CD2 4.36Å; L26-V52 HydrophobicContact CD2-CG2 4.44Å; L26-V52 HydrophobicContact CG-CG2 4.29Å
27K92.8Very high87Confident86 Ų8666.3 Ų66.337%0.37435%0.351SS..Hα-helixtrans-59.4-47.3175.5177.4174.9171.8175.30111.2I23 F29 L30 S31 V52 N56I23-K27 WeakPolarHBondContact O-CB 3.49Å; I23-K27 PolarHBondContact O-N 2.77Å; K27-F29 PolarHBondContact O-N 2.84Å; K27-L30 PolarHBondContact O-N 3.36Å; K27-S31 WeakPolarHBondContact O-CB 3.33Å; K27-S31 PolarHBondContact O-N 3.37Å; K27-V52 HydrophobicContact CB-CG1 4.2Å; K27-V52 HydrophobicContact CB-CG2 4.15Å; K27-V52 HydrophobicContact CD-CG1 4.44Å; K27-V52 HydrophobicContact CG-CG1 3.96Å; K27-N56 WeakPolarHBondContact CE-OD1 3.37Å; K27-N56 PolarHBondContact NZ-OD1 2.78Å
28T92.7Very high85.5Confident64 Ų6471.2 Ų71.239%0.39338%0.375SS..Hα-helixtrans-61.4-44.6177.2-59.50000111.2D24 R25 L26 S31 K32D24-T28 WeakPolarHBondContact O-CB 3.5Å; D24-T28 PolarHBondContact O-N 2.97Å; D24-T28 PolarHBondContact O-OG1 3.24Å; R25-T28 PolarHBondContact O-N 2.91Å; L26-T28 PolarHBondContact O-N 3.41Å; T28-S31 PolarHBondContact O-N 3.42Å; T28-S31 PolarHBondContact O-OG 3.44Å; T28-K32 HydrophobicContact CG2-CD 4.35Å; T28-K32 WeakPolarHBondContact O-CG 3.44Å; T28-K32 PolarHBondContact O-N 3.15Å
29F91.9Very high84.6Confident19 Ų1971.8 Ų71.88%0.08338%0.377CS..Hα-helixtrans-62.5-49.9178.5179.3-109.4000111.6F5 I10 I13 L17 R25 L26 K27 S31 K32 I33F5-F29 HydrophobicContact CD2-CE2 4.02Å; F5-F29 HydrophobicContact CD2-CZ 4.29Å; F5-F29 AromaticContact CE2-CE2 3.73Å; F5-F29 HydrophobicContact CE2-CE2 3.73Å; F5-F29 HydrophobicContact CE2-CZ 4.42Å; I10-F29 HydrophobicContact CG1-CZ 4.37Å; I10-F29 HydrophobicContact CG2-CE1 4Å; I10-F29 HydrophobicContact CG2-CZ 4.28Å; I13-F29 HydrophobicContact CB-CE1 3.98Å; I13-F29 HydrophobicContact CB-CE2 4.42Å; I13-F29 HydrophobicContact CB-CZ 3.83Å; I13-F29 HydrophobicContact CD1-CE2 3.93Å; I13-F29 HydrophobicContact CD1-CZ 3.76Å; I13-F29 HydrophobicContact CG1-CZ 4.41Å; I13-F29 HydrophobicContact CG2-CD1 3.91Å; I13-F29 HydrophobicContact CG2-CD2 4.06Å; I13-F29 HydrophobicContact CG2-CE1 3.62Å; I13-F29 HydrophobicContact CG2-CE2 3.79Å; I13-F29 HydrophobicContact CG2-CG 4.12Å; I13-F29 HydrophobicContact CG2-CZ 3.57Å; L17-F29 HydrophobicContact CD1-CB 4.08Å; L17-F29 HydrophobicContact CD1-CD1 4.4Å; L17-F29 HydrophobicContact CD1-CG 4.31Å; R25-F29 VanDerWaalsContact O-CB 3.25Å; R25-F29 WeakPolarHBondContact O-CB 3.36Å; R25-F29 PolarHBondContact O-N 2.74Å; L26-F29 PolarHBondContact O-N 2.93Å; K27-F29 PolarHBondContact O-N 2.84Å; F29-S31 PolarHBondContact O-N 2.9Å; F29-K32 PolarHBondContact O-N 3.08Å; F29-I33 HydrophobicContact CE1-CG2 4.17Å; F29-I33 HydrophobicContact CE2-CG2 4.14Å; F29-I33 HydrophobicContact CZ-CG2 3.92Å; F29-I33 PolarHBondContact O-N 2.86Å
30L90.2Very high83.8Confident21 Ų2172.3 Ų72.311%0.1138%0.376CS..Hα-helixtrans-63-27.9179-73.6172.8000113.1L26 K27 K32 I33 I45 C48 R49 V52L26-L30 HydrophobicContact CD1-CD1 3.96Å; L26-L30 HydrophobicContact CD1-CG 4.17Å; L26-L30 HydrophobicContact CG-CD1 4Å; L26-L30 WeakPolarHBondContact O-CB 3.39Å; L26-L30 WeakPolarHBondContact O-CG 3.25Å; L26-L30 PolarHBondContact O-N 3.27Å; K27-L30 PolarHBondContact O-N 3.36Å; L30-K32 VanDerWaalsContact C-N 3.33Å; L30-I33 HydrophobicContact CD2-CD1 3.69Å; L30-I33 WeakPolarHBondContact O-CG1 3.4Å; L30-I45 HydrophobicContact CD2-CG2 4.2Å; L30-C48 HydrophobicContact CD1-CB 3.96Å; L30-R49 HydrophobicContact CD1-CG 4.17Å; L30-R49 HydrophobicContact CD2-CG 4.26Å; L30-V52 HydrophobicContact CD1-CG2 3.86Å
31S88.3Confident83.4Confident91 Ų9173.6 Ų73.664%0.63638%0.383SS*.Hα-helixtrans-73.1-22.7173.776.20000114K27 T28 F29K27-S31 WeakPolarHBondContact O-CB 3.33Å; K27-S31 PolarHBondContact O-N 3.37Å; T28-S31 PolarHBondContact O-N 3.42Å; T28-S31 PolarHBondContact O-OG 3.44Å; F29-S31 PolarHBondContact O-N 2.9Å
32K86.4Confident83.3Confident100 Ų10070.9 Ų70.944%0.43537%0.371SS..Hα-helixtrans-95.2-23.3-176.1-70.6177.4-176.8177.20113.6M3 T28 F29 L30M3-K32 HydrophobicContact CE-CB 4.26Å; M3-K32 HydrophobicContact CE-CD 3.52Å; T28-K32 HydrophobicContact CG2-CD 4.35Å; T28-K32 WeakPolarHBondContact O-CG 3.44Å; T28-K32 PolarHBondContact O-N 3.15Å; F29-K32 PolarHBondContact O-N 3.08Å; L30-K32 VanDerWaalsContact C-N 3.33Å
33I83.1Confident83.3Confident7 Ų768.4 Ų68.44%0.03636%0.36CS..SBendtrans-73.6142.1173.465172.7000109.5I10 F29 L30I10-I33 HydrophobicContact CD1-CG2 4.43Å; I10-I33 HydrophobicContact CG2-CD1 4.03Å; F29-I33 HydrophobicContact CE1-CG2 4.17Å; F29-I33 HydrophobicContact CE2-CG2 4.14Å; F29-I33 HydrophobicContact CZ-CG2 3.92Å; F29-I33 PolarHBondContact O-N 2.86Å; L30-I33 HydrophobicContact CD2-CD1 3.69Å; L30-I33 WeakPolarHBondContact O-CG1 3.4Å
34S66Low83.3Confident46 Ų4667.5 Ų67.532%0.32236%0.355SS..  trans-56.7145.2174.2-79.80000110.7S2 T36 Y39S2-S34 PolarHBondContact OG-OG 3.35Å; S34-T36 WeakPolarHBondContact CB-OG1 3.43Å; S34-T36 PolarHBondContact O-N 2.98Å; S34-Y39 WeakPolarHBondContact O-CD2 3.32Å; S34-Y39 WeakPolarHBondContact O-CE2 3.37Å
35T66.1Low83.2Confident120 Ų12061.8 Ų61.874%0.73633%0.325SS*.  trans-76.430.7175.547.80000112.5T37T35-T37 PolarHBondContact O-N 3.25Å
36T64.4Low83.1Confident61 Ų6154.9 Ų54.937%0.37430%0.3SS..  trans-56.6138.2-176.3-48.10000110.6S34 M38 Y39S34-T36 WeakPolarHBondContact CB-OG1 3.43Å; S34-T36 PolarHBondContact O-N 2.98Å; T36-M38 HydrophobicContact CG2-CB 4.34Å; T36-M38 HydrophobicContact CG2-CG 4.04Å; T36-M38 PolarHBondContact O-N 3.22Å; T36-Y39 VanDerWaalsContact O-CD2 3.23Å; T36-Y39 WeakPolarHBondContact O-CD2 3.23Å; T36-Y39 PolarHBondContact O-N 2.54Å
37T62.6Low83.2Confident98 Ų9855.3 Ų55.360%0.60130%0.302SS*.G310 helixtrans-55.7-27.2-175.846.40000113.9T35 Y39 H40T35-T37 PolarHBondContact O-N 3.25Å; T37-Y39 PolarHBondContact O-N 2.97Å; T37-Y39 VanDerWaalsContact O-N 3.16Å; T37-H40 PolarHBondContact O-N 3.17Å; T37-H40 VanDerWaalsContact O-N 3.1Å
38M63.2Low83.3Confident123 Ų12351.2 Ų51.261%0.60628%0.284SS*.G310 helixtrans-56.5-29.9177.8-60.6-61.7148.400113.3T36 H40T36-M38 HydrophobicContact CG2-CB 4.34Å; T36-M38 HydrophobicContact CG2-CG 4.04Å; T36-M38 PolarHBondContact O-N 3.22Å; M38-H40 VanDerWaalsContact C-N 3.33Å; M38-H40 PolarHBondContact O-N 2.99Å
39Y76.4Confident83.3Confident24 Ų2449.9 Ų49.99%0.09427%0.272CS..G310 helixtrans-79-15.7-178.2-53.7-47.4000113.6L7 I10 S34 T36 T37 N41 I45L7-Y39 HydrophobicContact CD1-CD1 3.71Å; L7-Y39 HydrophobicContact CD1-CE1 4.01Å; I10-Y39 HydrophobicContact CD1-CD1 4.3Å; I10-Y39 HydrophobicContact CD1-CE1 3.38Å; I10-Y39 VanDerWaalsContact CD1-CZ 3.49Å; I10-Y39 VanDerWaalsContact CD1-OH 3.31Å; I10-Y39 WeakPolarHBondContact CD1-OH 3.16Å; S34-Y39 WeakPolarHBondContact O-CD2 3.32Å; S34-Y39 WeakPolarHBondContact O-CE2 3.37Å; T36-Y39 VanDerWaalsContact O-CD2 3.23Å; T36-Y39 WeakPolarHBondContact O-CD2 3.23Å; T36-Y39 PolarHBondContact O-N 2.54Å; T37-Y39 PolarHBondContact O-N 2.97Å; T37-Y39 VanDerWaalsContact O-N 3.16Å; Y39-N41 VanDerWaalsContact C-N 3.25Å; Y39-N41 PolarHBondContact O-N 3.19Å; Y39-I45 HydrophobicContact CD1-CD1 3.87Å; Y39-I45 HydrophobicContact CG-CD1 4.43Å
40H77.1Confident83.5Confident92 Ų9249 Ų4943%0.42627%0.268SS..G310 helixtrans-75.5-15-179.9-61.9-59.8000113.3T37 M38 V46 R49 F69T37-H40 PolarHBondContact O-N 3.17Å; T37-H40 VanDerWaalsContact O-N 3.1Å; M38-H40 VanDerWaalsContact C-N 3.33Å; M38-H40 PolarHBondContact O-N 2.99Å; H40-V46 WeakPolarHBondContact O-CG2 3.21Å; H40-R49 PolarHBondContact CE1-NH1 3.03Å; H40-R49 VanDerWaalsContact CE1-NH1 3.3Å; H40-R49 PolarHBondContact ND1-NH1 3.46Å; H40-R49 VanDerWaalsContact ND1-NH1 3.1Å; H40-F69 WeakPolarHBondContact O-CD2 3.24Å; H40-F69 VanDerWaalsContact O-CE2 3.25Å; H40-F69 WeakPolarHBondContact O-CE2 3.3Å
41N85Confident83.8Confident136 Ų13648.1 Ų48.173%0.72726%0.263SS*.G310 helixtrans-96.1-10179.5-65.6-14.7000113Y39Y39-N41 VanDerWaalsContact C-N 3.25Å; Y39-N41 PolarHBondContact O-N 3.19Å
42N91Very high84.1Confident20 Ų2044.5 Ų44.511%0.10724%0.237CC..  trans-90.4116.3-179.5-173.3-66.6000110.5L7 E11 V44 I45 V46L7-N42 HydrophobicContact CD1-CB 4.31Å; E11-N42 PolarHBondContact OE2-ND2 2.92Å; N42-V44 VanDerWaalsContact C-N 3.34Å; N42-V44 PolarHBondContact O-N 3.47Å; N42-V44 WeakPolarHBondContact OD1-CB 2.97Å; N42-V44 PolarHBondContact OD1-N 3.12Å; N42-V44 VanDerWaalsContact OD1-N 3.1Å; N42-I45 HydrophobicContact CB-CB 4.28Å; N42-I45 HydrophobicContact CB-CD1 3.93Å; N42-I45 HydrophobicContact CB-CG1 4.14Å; N42-I45 PolarHBondContact O-N 3.36Å; N42-I45 PolarHBondContact OD1-N 3.25Å; N42-V46 VanDerWaalsContact O-CG2 3.29Å; N42-V46 WeakPolarHBondContact O-CG2 3.49Å; N42-V46 PolarHBondContact O-N 3.44Å
43E93.7Very high84.5Confident25 Ų2541 Ų4112%0.11722%0.223CC..Hα-helixtrans-60.5-39.1-174.5-178.5164.8171.900113.4V46 K47 F69 F71 S72 N75E43-V46 PolarHBondContact O-N 3.28Å; E43-K47 WeakPolarHBondContact O-CB 3.31Å; E43-K47 PolarHBondContact O-N 2.87Å; E43-F69 VanDerWaalsContact CA-CZ 3.49Å; E43-F69 HydrophobicContact CB-CE1 3.74Å; E43-F69 HydrophobicContact CB-CZ 3.77Å; E43-F69 HydrophobicContact CG-CE1 3.76Å; E43-F69 HydrophobicContact CG-CZ 4.33Å; E43-F71 HydrophobicContact CG-CD1 3.79Å; E43-F71 HydrophobicContact CG-CE1 4.31Å; E43-S72 VanDerWaalsContact CD-N 3.26Å; E43-S72 WeakPolarHBondContact OE1-CB 3.49Å; E43-S72 PolarHBondContact OE1-N 2.7Å; E43-S72 VanDerWaalsContact OE2-CB 3.23Å; E43-S72 WeakPolarHBondContact OE2-CB 3.35Å; E43-S72 PolarHBondContact OE2-N 2.72Å; E43-S72 VanDerWaalsContact OE2-N 3.07Å; E43-S72 PolarHBondContact OE2-OG 3.11Å; E43-N75 WeakPolarHBondContact OE1-CB 3.26Å; E43-N75 PolarHBondContact OE1-ND2 2.96Å
44V93.6Very high85.2Confident11 Ų1141.9 Ų41.97%0.06723%0.227CC..Hα-helixtrans-63.6-46.8178.81770000110.5E11 C14 Q15 N42 K47 C48E11-V44 HydrophobicContact CG-CB 4Å; E11-V44 HydrophobicContact CG-CG1 4.25Å; E11-V44 HydrophobicContact CG-CG2 4.03Å; C14-V44 HydrophobicContact CB-CG1 4.13Å; Q15-V44 HydrophobicContact CB-CG1 4.06Å; N42-V44 VanDerWaalsContact C-N 3.34Å; N42-V44 PolarHBondContact O-N 3.47Å; N42-V44 WeakPolarHBondContact OD1-CB 2.97Å; N42-V44 PolarHBondContact OD1-N 3.12Å; N42-V44 VanDerWaalsContact OD1-N 3.1Å; V44-K47 WeakPolarHBondContact O-CB 3.5Å; V44-K47 PolarHBondContact O-N 3.43Å; V44-C48 PolarHBondContact O-N 3.49Å; V44-C48 PolarHBondContact O-SG 3.22Å
45I93.2Very high86.6Confident0 Ų041.7 Ų41.70%022%0.224CC..Hα-helixtrans-66.7-42.8-179.7-59.3174.5000110.4L7 I10 L30 Y39 N42 K47 C48 R49L7-I45 HydrophobicContact CD1-CD1 3.86Å; I10-I45 HydrophobicContact CB-CD1 4.32Å; I10-I45 HydrophobicContact CG2-CD1 3.59Å; I10-I45 HydrophobicContact CG2-CG1 4.16Å; L30-I45 HydrophobicContact CD2-CG2 4.2Å; Y39-I45 HydrophobicContact CD1-CD1 3.87Å; Y39-I45 HydrophobicContact CG-CD1 4.43Å; N42-I45 HydrophobicContact CB-CB 4.28Å; N42-I45 HydrophobicContact CB-CD1 3.93Å; N42-I45 HydrophobicContact CB-CG1 4.14Å; N42-I45 PolarHBondContact O-N 3.36Å; N42-I45 PolarHBondContact OD1-N 3.25Å; I45-K47 VanDerWaalsContact C-N 3.33Å; I45-K47 PolarHBondContact O-N 3.32Å; I45-C48 PolarHBondContact O-N 3.38Å; I45-R49 HydrophobicContact CG2-CG 4.5Å; I45-R49 WeakPolarHBondContact O-CB 3.28Å; I45-R49 WeakPolarHBondContact O-CG 3.5Å; I45-R49 PolarHBondContact O-N 2.98Å
46V94Very high88Confident7 Ų738.4 Ų38.44%0.04220%0.201CC..Hα-helixtrans-64-40.3177.7175.50000111.1H40 N42 E43 R49 A50 I65 F69 F71H40-V46 WeakPolarHBondContact O-CG2 3.21Å; N42-V46 VanDerWaalsContact O-CG2 3.29Å; N42-V46 WeakPolarHBondContact O-CG2 3.49Å; N42-V46 PolarHBondContact O-N 3.44Å; E43-V46 PolarHBondContact O-N 3.28Å; V46-R49 PolarHBondContact O-N 3.4Å; V46-A50 WeakPolarHBondContact O-CB 3.38Å; V46-A50 PolarHBondContact O-N 3.23Å; V46-I65 HydrophobicContact CG1-CG2 3.36Å; V46-F69 HydrophobicContact CB-CD1 4.49Å; V46-F69 HydrophobicContact CB-CD2 4.25Å; V46-F69 HydrophobicContact CB-CE2 4.31Å; V46-F69 HydrophobicContact CB-CG 4.34Å; V46-F69 HydrophobicContact CB-CZ 4.48Å; V46-F69 HydrophobicContact CG1-CB 4Å; V46-F69 HydrophobicContact CG1-CD1 4.07Å; V46-F69 HydrophobicContact CG1-CD2 3.97Å; V46-F69 HydrophobicContact CG1-CG 3.72Å; V46-F69 HydrophobicContact CG2-CD2 3.88Å; V46-F69 HydrophobicContact CG2-CE2 3.86Å; V46-F69 HydrophobicContact CG2-CG 4.45Å; V46-F69 HydrophobicContact CG2-CZ 4.41Å; V46-F71 HydrophobicContact CG1-CE1 4.39Å; V46-F71 HydrophobicContact CG1-CZ 3.89Å
47K94.7Very high89.5Confident11 Ų1140.6 Ų40.65%0.04821%0.206CC..Hα-helixtrans-58.5-49.1172.6-178.9165.778.9165.40111.9Y18 E43 V44 I45 R49 A50 L51 F71 N75 E78 M79Y18-K47 HydrophobicContact CE2-CD 4.43Å; Y18-K47 HydrophobicContact CE2-CG 4.04Å; E43-K47 WeakPolarHBondContact O-CB 3.31Å; E43-K47 PolarHBondContact O-N 2.87Å; V44-K47 WeakPolarHBondContact O-CB 3.5Å; V44-K47 PolarHBondContact O-N 3.43Å; I45-K47 VanDerWaalsContact C-N 3.33Å; I45-K47 PolarHBondContact O-N 3.32Å; K47-R49 VanDerWaalsContact C-N 3.33Å; K47-R49 PolarHBondContact O-N 3.34Å; K47-A50 WeakPolarHBondContact O-CB 3.47Å; K47-A50 PolarHBondContact O-N 3.44Å; K47-L51 PolarHBondContact O-N 2.88Å; K47-F71 HydrophobicContact CB-CE1 4.18Å; K47-N75 PolarHBondContact NZ-OD1 3.37Å; K47-E78 WeakPolarHBondContact CD-OE2 3.45Å; K47-E78 IonicContact NZ-OE2 2.79Å; K47-E78 PolarHBondContact NZ-OE2 3.01Å; K47-M79 HydrophobicContact CD-CE 3.76Å; K47-M79 HydrophobicContact CG-CE 3.58Å; K47-M79 HydrophobicContact CG-SD 4.14Å
48C95.1Very high91.1Very high0 Ų040.1 Ų40.10%020%0.197CC..Hα-helixtrans-61.5-40.8177.1-67.80000112.3L26 L30 V44 I45 L51 V52L26-C48 HydrophobicContact CD1-CB 3.99Å; L26-C48 HydrophobicContact CD2-CB 3.96Å; L26-C48 HydrophobicContact CG-CB 4.37Å; L30-C48 HydrophobicContact CD1-CB 3.96Å; V44-C48 PolarHBondContact O-N 3.49Å; V44-C48 PolarHBondContact O-SG 3.22Å; I45-C48 PolarHBondContact O-N 3.38Å; C48-L51 PolarHBondContact O-N 2.84Å; C48-V52 WeakPolarHBondContact O-CG2 3.19Å; C48-V52 PolarHBondContact O-N 2.62Å
49R94.2Very high92.8Very high36 Ų3635 Ų3514%0.13617%0.171CC..Hα-helixtrans-63.2-44.4174.7-76.8175.8171.8170.9-4.9111.9L30 H40 I45 V46 K47 L51 V52 L53 I65L30-R49 HydrophobicContact CD1-CG 4.17Å; L30-R49 HydrophobicContact CD2-CG 4.26Å; H40-R49 PolarHBondContact CE1-NH1 3.03Å; H40-R49 VanDerWaalsContact CE1-NH1 3.3Å; H40-R49 PolarHBondContact ND1-NH1 3.46Å; H40-R49 VanDerWaalsContact ND1-NH1 3.1Å; I45-R49 HydrophobicContact CG2-CG 4.5Å; I45-R49 WeakPolarHBondContact O-CB 3.28Å; I45-R49 WeakPolarHBondContact O-CG 3.5Å; I45-R49 PolarHBondContact O-N 2.98Å; V46-R49 PolarHBondContact O-N 3.4Å; K47-R49 VanDerWaalsContact C-N 3.33Å; K47-R49 PolarHBondContact O-N 3.34Å; R49-L51 VanDerWaalsContact C-N 3.28Å; R49-L51 PolarHBondContact O-N 2.8Å; R49-V52 PolarHBondContact O-N 3.07Å; R49-L53 VanDerWaalsContact O-CG 3.31Å; R49-L53 WeakPolarHBondContact O-CG 3.17Å; R49-L53 PolarHBondContact O-N 3.17Å; R49-I65 HydrophobicContact CB-CD1 4.22Å
50A95.9Very high93.8Very high0 Ų038.3 Ų38.30%019%0.194CC..Hα-helixtrans-57-44.9175.500000110.9V46 K47 L53 F54 L62 I65 L82V46-A50 WeakPolarHBondContact O-CB 3.38Å; V46-A50 PolarHBondContact O-N 3.23Å; K47-A50 WeakPolarHBondContact O-CB 3.47Å; K47-A50 PolarHBondContact O-N 3.44Å; A50-L53 PolarHBondContact O-N 3.3Å; A50-F54 PolarHBondContact O-N 3.47Å; A50-L62 HydrophobicContact CB-CD1 3.7Å; A50-L62 WeakPolarHBondContact O-CD1 3.37Å; A50-I65 HydrophobicContact CB-CG2 4.19Å; A50-L82 HydrophobicContact CB-CD2 3.8Å
51L95.7Very high94.7Very high2 Ų237.8 Ų37.81%0.0119%0.192CC..Hα-helixtrans-61.2-45.8176.1177.162.2000112.6Y18 L26 K47 C48 R49 L53 F54 V55 Y234Y18-L51 HydrophobicContact CD2-CD2 3.74Å; Y18-L51 HydrophobicContact CE2-CB 4.25Å; Y18-L51 HydrophobicContact CE2-CD2 3.4Å; Y18-L51 VanDerWaalsContact CE2-CD2 3.4Å; Y18-L51 HydrophobicContact CE2-CG 4.43Å; L26-L51 HydrophobicContact CD2-CD2 4.36Å; K47-L51 PolarHBondContact O-N 2.88Å; C48-L51 PolarHBondContact O-N 2.84Å; R49-L51 VanDerWaalsContact C-N 3.28Å; R49-L51 PolarHBondContact O-N 2.8Å; L51-L53 VanDerWaalsContact C-N 3.35Å; L51-L53 PolarHBondContact O-N 2.95Å; L51-F54 WeakPolarHBondContact O-CB 3.45Å; L51-F54 PolarHBondContact O-N 3.5Å; L51-V55 WeakPolarHBondContact O-CG2 3.46Å; L51-V55 PolarHBondContact O-N 2.87Å; L51-Y234 HydrophobicContact CD1-CD1 4.22Å; L51-Y234 HydrophobicContact CD1-CE1 3.43Å; L51-Y234 VanDerWaalsContact CD1-CE1 3.43Å; L51-Y234 WeakPolarHBondContact CD1-OH 3.46Å; L51-Y234 HydrophobicContact CD2-CE1 4.17Å; L51-Y234 HydrophobicContact CD2-CE2 3.78Å; L51-Y234 WeakPolarHBondContact CD2-OH 3.31Å; L51-Y234 HydrophobicContact CG-CE1 4.36Å
52V94.6Very high95.2Very high16 Ų1631.3 Ų31.310%0.09716%0.157CC..Hα-helixtrans-62.9-40.1178168.60000112L26 K27 L30 C48 R49 F54 V55 N56L26-V52 HydrophobicContact CD2-CG2 4.44Å; L26-V52 HydrophobicContact CG-CG2 4.29Å; K27-V52 HydrophobicContact CB-CG1 4.2Å; K27-V52 HydrophobicContact CB-CG2 4.15Å; K27-V52 HydrophobicContact CD-CG1 4.44Å; K27-V52 HydrophobicContact CG-CG1 3.96Å; L30-V52 HydrophobicContact CD1-CG2 3.86Å; C48-V52 WeakPolarHBondContact O-CG2 3.19Å; C48-V52 PolarHBondContact O-N 2.62Å; R49-V52 PolarHBondContact O-N 3.07Å; V52-F54 VanDerWaalsContact C-N 3.32Å; V52-F54 PolarHBondContact O-N 3.35Å; V52-V55 PolarHBondContact O-N 3.1Å; V52-N56 PolarHBondContact O-N 3.45Å
53L96Very high95.6Very high26 Ų2631.2 Ų31.214%0.13616%0.156CC..Hα-helixtrans-62.4-39.2174.8-69.5169.5000111.9R49 A50 L51 N56 K57 E58 E61 L62 I65R49-L53 VanDerWaalsContact O-CG 3.31Å; R49-L53 WeakPolarHBondContact O-CG 3.17Å; R49-L53 PolarHBondContact O-N 3.17Å; A50-L53 PolarHBondContact O-N 3.3Å; L51-L53 VanDerWaalsContact C-N 3.35Å; L51-L53 PolarHBondContact O-N 2.95Å; L53-N56 PolarHBondContact O-N 3.22Å; L53-K57 PolarHBondContact O-N 3.24Å; L53-E58 HydrophobicContact CB-CB 4.36Å; L53-E58 HydrophobicContact CD2-CB 3.85Å; L53-E58 VanDerWaalsContact CD2-OE2 3.23Å; L53-E58 WeakPolarHBondContact CD2-OE2 3.2Å; L53-E58 PolarHBondContact O-N 3.31Å; L53-E61 HydrophobicContact CD1-CB 3.92Å; L53-E61 HydrophobicContact CD2-CB 3.97Å; L53-L62 HydrophobicContact CB-CB 4Å; L53-I65 HydrophobicContact CD1-CD1 3.47Å; L53-I65 VanDerWaalsContact CD1-CD1 3.47Å; L53-I65 HydrophobicContact CD1-CG1 4.3Å
54F97.2Very high95.7Very high26 Ų2634.9 Ų34.911%0.11417%0.171CC..Hα-helixtrans-60.8-47.7173.8172-109.2000111.8A50 L51 V52 N56 K57 F59 L62 L82 Q85 A86 A89 F235A50-F54 PolarHBondContact O-N 3.47Å; L51-F54 WeakPolarHBondContact O-CB 3.45Å; L51-F54 PolarHBondContact O-N 3.5Å; V52-F54 VanDerWaalsContact C-N 3.32Å; V52-F54 PolarHBondContact O-N 3.35Å; F54-N56 VanDerWaalsContact C-N 3.33Å; F54-N56 PolarHBondContact O-N 2.95Å; F54-K57 WeakPolarHBondContact O-CA 3.44Å; F54-K57 PolarHBondContact O-N 3.49Å; F54-F59 HydrophobicContact CD2-CE1 4.09Å; F54-F59 HydrophobicContact CE2-CE1 4.35Å; F54-L62 HydrophobicContact CB-CD2 3.78Å; F54-L62 HydrophobicContact CD2-CD2 4.25Å; F54-L62 HydrophobicContact CG-CD2 4.5Å; F54-L82 HydrophobicContact CB-CD1 3.62Å; F54-L82 HydrophobicContact CD1-CD1 3.83Å; F54-L82 HydrophobicContact CD2-CD1 4.13Å; F54-L82 HydrophobicContact CG-CD1 3.58Å; F54-Q85 HydrophobicContact CE2-CB 3.99Å; F54-Q85 HydrophobicContact CZ-CB 3.91Å; F54-A86 HydrophobicContact CD2-CB 3.89Å; F54-A86 HydrophobicContact CE2-CB 4.25Å; F54-A89 HydrophobicContact CE2-CB 4.36Å; F54-F235 HydrophobicContact CE1-CE1 4.4Å
55V95.6Very high95.8Very high42 Ų4236.2 Ų36.226%0.25518%0.177SC..Hα-helixtrans-62.9-39.2179.6172.40000111.7I23 L51 V52 K57I23-V55 HydrophobicContact CG2-CB 4.49Å; I23-V55 HydrophobicContact CG2-CG1 4.31Å; I23-V55 HydrophobicContact CG2-CG2 3.89Å; L51-V55 WeakPolarHBondContact O-CG2 3.46Å; L51-V55 PolarHBondContact O-N 2.87Å; V52-V55 PolarHBondContact O-N 3.1Å; V55-K57 PolarHBondContact O-N 2.84Å
56N95Very high95.9Very high51 Ų5136.2 Ų36.227%0.27318%0.177SC..THydrogen-bonded Turntrans-73.1-3.6174.4-69.5-6000113.9K27 V52 L53 F54 E58K27-N56 WeakPolarHBondContact CE-OD1 3.37Å; K27-N56 PolarHBondContact NZ-OD1 2.78Å; V52-N56 PolarHBondContact O-N 3.45Å; L53-N56 PolarHBondContact O-N 3.22Å; F54-N56 VanDerWaalsContact C-N 3.33Å; F54-N56 PolarHBondContact O-N 2.95Å; N56-E58 HydrophobicContact CB-CB 4.47Å; N56-E58 HydrophobicContact CB-CG 3.86Å; N56-E58 VanDerWaalsContact CB-OE1 3.24Å; N56-E58 WeakPolarHBondContact CB-OE1 3.23Å; N56-E58 PolarHBondContact ND2-OE1 3.26Å; N56-E58 PolarHBondContact O-N 3.49Å
57K96.2Very high96Very high106 Ų10639.3 Ų39.346%0.46119%0.194SC..THydrogen-bonded Turntrans61.525.9-173.3-53.8175.9178-178.60113.3L53 F54 V55 F59 I93L53-K57 PolarHBondContact O-N 3.24Å; F54-K57 WeakPolarHBondContact O-CA 3.44Å; F54-K57 PolarHBondContact O-N 3.49Å; V55-K57 PolarHBondContact O-N 2.84Å; K57-F59 VanDerWaalsContact C-N 3.26Å; K57-F59 HydrophobicContact CB-CE2 3.91Å; K57-F59 HydrophobicContact CB-CZ 3.89Å; K57-F59 HydrophobicContact CG-CZ 4.19Å; K57-F59 WeakPolarHBondContact O-CD2 3.46Å; K57-F59 PolarHBondContact O-N 2.87Å; K57-F59 VanDerWaalsContact O-N 3.08Å; K57-I93 HydrophobicContact CD-CD1 3.94Å; K57-I93 HydrophobicContact CG-CD1 4.46Å
58E96.6Very high96Very high88 Ų8844.9 Ų44.941%0.41122%0.224SC..  trans-86.261.6177.1-68.1175.6-133.700110.7L53 N56 T60 E61 L62L53-E58 HydrophobicContact CB-CB 4.36Å; L53-E58 HydrophobicContact CD2-CB 3.85Å; L53-E58 VanDerWaalsContact CD2-OE2 3.23Å; L53-E58 WeakPolarHBondContact CD2-OE2 3.2Å; L53-E58 PolarHBondContact O-N 3.31Å; N56-E58 HydrophobicContact CB-CB 4.47Å; N56-E58 HydrophobicContact CB-CG 3.86Å; N56-E58 VanDerWaalsContact CB-OE1 3.24Å; N56-E58 WeakPolarHBondContact CB-OE1 3.23Å; N56-E58 PolarHBondContact ND2-OE1 3.26Å; N56-E58 PolarHBondContact O-N 3.49Å; E58-T60 VanDerWaalsContact C-N 3.29Å; E58-T60 PolarHBondContact O-N 3.47Å; E58-E61 PolarHBondContact O-N 3.42Å; E58-L62 PolarHBondContact O-N 3.42Å; E58-L62 VanDerWaalsContact O-N 3.15Å
59F97.5Very high95.9Very high16 Ų1646.3 Ų46.37%0.0723%0.23CC..Hα-helixtrans-63.2-31.6-170.3-54.7-61.5000113.9F54 K57 L62 F63 A86 A89 Q90 I93F54-F59 HydrophobicContact CD2-CE1 4.09Å; F54-F59 HydrophobicContact CE2-CE1 4.35Å; K57-F59 VanDerWaalsContact C-N 3.26Å; K57-F59 HydrophobicContact CB-CE2 3.91Å; K57-F59 HydrophobicContact CB-CZ 3.89Å; K57-F59 HydrophobicContact CG-CZ 4.19Å; K57-F59 WeakPolarHBondContact O-CD2 3.46Å; K57-F59 PolarHBondContact O-N 2.87Å; K57-F59 VanDerWaalsContact O-N 3.08Å; F59-L62 PolarHBondContact O-N 2.92Å; F59-F63 HydrophobicContact CB-CD2 4.27Å; F59-F63 HydrophobicContact CB-CE2 3.71Å; F59-F63 HydrophobicContact CB-CZ 4.18Å; F59-F63 WeakPolarHBondContact O-CB 3.42Å; F59-F63 WeakPolarHBondContact O-CD2 3.45Å; F59-F63 WeakPolarHBondContact O-CG 3.26Å; F59-F63 PolarHBondContact O-N 3.33Å; F59-A86 HydrophobicContact CD1-CB 3.9Å; F59-A86 HydrophobicContact CE1-CB 4.29Å; F59-A89 HydrophobicContact CE1-CB 3.95Å; F59-A89 HydrophobicContact CZ-CB 3.7Å; F59-Q90 HydrophobicContact CD2-CB 3.84Å; F59-Q90 HydrophobicContact CD2-CG 4.18Å; F59-Q90 HydrophobicContact CE2-CB 4.11Å; F59-Q90 HydrophobicContact CG-CB 4.16Å; F59-I93 HydrophobicContact CE2-CD1 3.69Å; F59-I93 HydrophobicContact CZ-CD1 3.93Å
60T97.4Very high95.9Very high93 Ų9349.1 Ų49.157%0.57125%0.253SS*.Hα-helixtrans-61.5-49.6-179.7-56.20000111.5E58 F63 K64E58-T60 VanDerWaalsContact C-N 3.29Å; E58-T60 PolarHBondContact O-N 3.47Å; T60-F63 PolarHBondContact O-N 3.46Å; T60-K64 WeakPolarHBondContact O-CG 3.27Å; T60-K64 PolarHBondContact O-N 2.95Å; T60-K64 VanDerWaalsContact O-N 3.13Å
61E95.9Very high95.8Very high82 Ų8249.6 Ų49.638%0.38326%0.255SS..Hα-helixtrans-71.1-36.8179-62.6-50.3121.900111.4L53 E58 F63 K64 I65L53-E61 HydrophobicContact CD1-CB 3.92Å; L53-E61 HydrophobicContact CD2-CB 3.97Å; E58-E61 PolarHBondContact O-N 3.42Å; E61-F63 PolarHBondContact O-N 3.24Å; E61-K64 WeakPolarHBondContact O-CB 3.33Å; E61-K64 PolarHBondContact O-N 3.46Å; E61-K64 VanDerWaalsContact O-N 3.17Å; E61-K64 WeakPolarHBondContact OE1-CE 3.38Å; E61-K64 IonicContact OE1-NZ 2.69Å; E61-K64 PolarHBondContact OE1-NZ 3.18Å; E61-K64 WeakPolarHBondContact OE2-CD 3.36Å; E61-K64 IonicContact OE2-NZ 3.46Å; E61-K64 PolarHBondContact OE2-NZ 3.05Å; E61-I65 PolarHBondContact O-N 3.12Å
62L97.3Very high95.7Very high0 Ų051.6 Ų51.60%027%0.27CS..Hα-helixtrans-56.1-50.8172.6170.157.7000111.6A50 L53 F54 E58 F59 K64 I65 L66 L82 A86A50-L62 HydrophobicContact CB-CD1 3.7Å; A50-L62 WeakPolarHBondContact O-CD1 3.37Å; L53-L62 HydrophobicContact CB-CB 4Å; F54-L62 HydrophobicContact CB-CD2 3.78Å; F54-L62 HydrophobicContact CD2-CD2 4.25Å; F54-L62 HydrophobicContact CG-CD2 4.5Å; E58-L62 PolarHBondContact O-N 3.42Å; E58-L62 VanDerWaalsContact O-N 3.15Å; F59-L62 PolarHBondContact O-N 2.92Å; L62-K64 VanDerWaalsContact C-N 3.28Å; L62-K64 PolarHBondContact O-N 3.16Å; L62-I65 PolarHBondContact O-N 3.04Å; L62-L66 HydrophobicContact CD1-CD1 3.8Å; L62-L66 HydrophobicContact CD1-CG 3.95Å; L62-L66 HydrophobicContact CG-CD1 4.15Å; L62-L66 WeakPolarHBondContact O-CG 3.43Å; L62-L66 PolarHBondContact O-N 3.5Å; L62-L82 HydrophobicContact CD1-CD2 3.91Å; L62-L82 HydrophobicContact CD1-CG 4.29Å; L62-A86 HydrophobicContact CD2-CB 3.44Å; L62-A86 VanDerWaalsContact CD2-CB 3.44Å
63F97.8Very high95.6Very high18 Ų1856.6 Ų56.68%0.07930%0.3CS..Hα-helixtrans-64.1-34.5179-62.8-41.9000111.5F59 T60 E61 L66 N67 W83 A86 K87F59-F63 HydrophobicContact CB-CD2 4.27Å; F59-F63 HydrophobicContact CB-CE2 3.71Å; F59-F63 HydrophobicContact CB-CZ 4.18Å; F59-F63 WeakPolarHBondContact O-CB 3.42Å; F59-F63 WeakPolarHBondContact O-CD2 3.45Å; F59-F63 WeakPolarHBondContact O-CG 3.26Å; F59-F63 PolarHBondContact O-N 3.33Å; T60-F63 PolarHBondContact O-N 3.46Å; E61-F63 PolarHBondContact O-N 3.24Å; F63-L66 PolarHBondContact O-N 3.43Å; F63-N67 WeakPolarHBondContact O-CB 3.43Å; F63-N67 PolarHBondContact O-N 2.79Å; F63-N67 PolarHBondContact O-ND2 3.07Å; F63-W83 HydrophobicContact CB-CZ3 4.3Å; F63-W83 HydrophobicContact CD1-CD2 4.45Å; F63-W83 AromaticContact CD1-CE3 3.69Å; F63-W83 HydrophobicContact CD1-CE3 3.69Å; F63-W83 HydrophobicContact CD1-CH2 4.31Å; F63-W83 AromaticContact CD1-CZ3 3.6Å; F63-W83 HydrophobicContact CD1-CZ3 3.6Å; F63-W83 HydrophobicContact CE1-CD2 4.5Å; F63-W83 HydrophobicContact CE1-CE3 4.16Å; F63-W83 HydrophobicContact CE1-CZ3 4.36Å; F63-W83 HydrophobicContact CG-CZ3 4.24Å; F63-A86 HydrophobicContact CE1-CB 3.72Å; F63-A86 HydrophobicContact CZ-CB 3.9Å; F63-K87 HydrophobicContact CE1-CD 3.98Å; F63-K87 HydrophobicContact CE1-CG 4.02Å; F63-K87 HydrophobicContact CE2-CD 4.14Å; F63-K87 VanDerWaalsContact CE2-NZ 3.29Å; F63-K87 HydrophobicContact CZ-CD 3.54Å; F63-K87 VanDerWaalsContact CZ-CE 3.44Å; F63-K87 HydrophobicContact CZ-CG 3.93Å
64K96.4Very high95.4Very high101 Ų10163.3 Ų63.344%0.43933%0.325SS..Hα-helixtrans-60.8-45.5173.1-73173.4-177.7171.40111.9T60 E61 L62 N67 N68T60-K64 WeakPolarHBondContact O-CG 3.27Å; T60-K64 PolarHBondContact O-N 2.95Å; T60-K64 VanDerWaalsContact O-N 3.13Å; E61-K64 WeakPolarHBondContact O-CB 3.33Å; E61-K64 PolarHBondContact O-N 3.46Å; E61-K64 VanDerWaalsContact O-N 3.17Å; E61-K64 WeakPolarHBondContact OE1-CE 3.38Å; E61-K64 IonicContact OE1-NZ 2.69Å; E61-K64 PolarHBondContact OE1-NZ 3.18Å; E61-K64 WeakPolarHBondContact OE2-CD 3.36Å; E61-K64 IonicContact OE2-NZ 3.46Å; E61-K64 PolarHBondContact OE2-NZ 3.05Å; L62-K64 VanDerWaalsContact C-N 3.28Å; L62-K64 PolarHBondContact O-N 3.16Å; K64-N67 PolarHBondContact O-N 3.08Å; K64-N68 WeakPolarHBondContact O-CB 3.42Å; K64-N68 VanDerWaalsContact O-CG 3.31Å; K64-N68 PolarHBondContact O-N 3.49Å; K64-N68 VanDerWaalsContact O-N 3.16Å; K64-N68 PolarHBondContact O-ND2 2.52Å
65I95.1Very high95.2Very high39 Ų3962.5 Ų62.520%0.232%0.321CS..Hα-helixtrans-59.1-52.7176-69.9-175.1000110.3V46 R49 A50 L53 E61 L62 N67 N68 F69 F71V46-I65 HydrophobicContact CG1-CG2 3.36Å; R49-I65 HydrophobicContact CB-CD1 4.22Å; A50-I65 HydrophobicContact CB-CG2 4.19Å; L53-I65 HydrophobicContact CD1-CD1 3.47Å; L53-I65 VanDerWaalsContact CD1-CD1 3.47Å; L53-I65 HydrophobicContact CD1-CG1 4.3Å; E61-I65 PolarHBondContact O-N 3.12Å; L62-I65 PolarHBondContact O-N 3.04Å; I65-N67 VanDerWaalsContact C-N 3.26Å; I65-N67 PolarHBondContact O-N 3.48Å; I65-N68 PolarHBondContact O-N 3.4Å; I65-F69 WeakPolarHBondContact O-CB 3.22Å; I65-F69 PolarHBondContact O-N 2.93Å; I65-F71 HydrophobicContact CG2-CZ 4.33Å
66L96.5Very high95.2Very high0 Ų061.6 Ų61.60%032%0.315CS..Hα-helixtrans-64.3-29-176.3-66.3179.4000112.9L62 F63 F71 M79 W83 P114 T116 I117L62-L66 HydrophobicContact CD1-CD1 3.8Å; L62-L66 HydrophobicContact CD1-CG 3.95Å; L62-L66 HydrophobicContact CG-CD1 4.15Å; L62-L66 WeakPolarHBondContact O-CG 3.43Å; L62-L66 PolarHBondContact O-N 3.5Å; F63-L66 PolarHBondContact O-N 3.43Å; L66-F71 HydrophobicContact CD2-CE2 3.93Å; L66-F71 HydrophobicContact CD2-CZ 4.23Å; L66-M79 HydrophobicContact CD2-CB 4.15Å; L66-M79 HydrophobicContact CD2-CG 4.37Å; L66-M79 HydrophobicContact CD2-SD 3.88Å; L66-W83 HydrophobicContact CB-CE3 4.15Å; L66-W83 HydrophobicContact CB-CZ3 4.49Å; L66-W83 HydrophobicContact CD1-CB 4.06Å; L66-W83 HydrophobicContact CD1-CE3 3.94Å; L66-P114 VanDerWaalsContact O-CG 3.31Å; L66-P114 WeakPolarHBondContact O-CG 3.48Å; L66-T116 WeakPolarHBondContact O-CB 3.42Å; L66-T116 PolarHBondContact O-OG1 3.18Å; L66-I117 HydrophobicContact CD2-CG2 4.43Å
67N95.5Very high95.1Very high73 Ų7364.4 Ų64.439%0.3933%0.329SS..Hα-helixtrans-79.9-25.5176.8-82.5-78.4000113.9F63 K64 I65 P114 T116F63-N67 WeakPolarHBondContact O-CB 3.43Å; F63-N67 PolarHBondContact O-N 2.79Å; F63-N67 PolarHBondContact O-ND2 3.07Å; K64-N67 PolarHBondContact O-N 3.08Å; I65-N67 VanDerWaalsContact C-N 3.26Å; I65-N67 PolarHBondContact O-N 3.48Å; N67-P114 VanDerWaalsContact OD1-CB 3.31Å; N67-P114 WeakPolarHBondContact OD1-CB 3.31Å; N67-T116 VanDerWaalsContact O-CG2 3.26Å; N67-T116 WeakPolarHBondContact O-CG2 3.5Å
68N94.4Very high95Very high127 Ų12761.3 Ų61.368%0.67932%0.317SS*.Hα-helixtrans-109.9-26.9-168.1-66.5-32.6000114.1K64 I65K64-N68 WeakPolarHBondContact O-CB 3.42Å; K64-N68 VanDerWaalsContact O-CG 3.31Å; K64-N68 PolarHBondContact O-N 3.49Å; K64-N68 VanDerWaalsContact O-N 3.16Å; K64-N68 PolarHBondContact O-ND2 2.52Å; I65-N68 PolarHBondContact O-N 3.4Å
69F93.9Very high95Very high30 Ų3057.2 Ų57.213%0.13230%0.297CS..SBendtrans-91.5120.2-179.1-172.3-89.1000110.9H40 E43 V46 I65 F71 T116H40-F69 WeakPolarHBondContact O-CD2 3.24Å; H40-F69 VanDerWaalsContact O-CE2 3.25Å; H40-F69 WeakPolarHBondContact O-CE2 3.3Å; E43-F69 VanDerWaalsContact CA-CZ 3.49Å; E43-F69 HydrophobicContact CB-CE1 3.74Å; E43-F69 HydrophobicContact CB-CZ 3.77Å; E43-F69 HydrophobicContact CG-CE1 3.76Å; E43-F69 HydrophobicContact CG-CZ 4.33Å; V46-F69 HydrophobicContact CB-CD1 4.49Å; V46-F69 HydrophobicContact CB-CD2 4.25Å; V46-F69 HydrophobicContact CB-CE2 4.31Å; V46-F69 HydrophobicContact CB-CG 4.34Å; V46-F69 HydrophobicContact CB-CZ 4.48Å; V46-F69 HydrophobicContact CG1-CB 4Å; V46-F69 HydrophobicContact CG1-CD1 4.07Å; V46-F69 HydrophobicContact CG1-CD2 3.97Å; V46-F69 HydrophobicContact CG1-CG 3.72Å; V46-F69 HydrophobicContact CG2-CD2 3.88Å; V46-F69 HydrophobicContact CG2-CE2 3.86Å; V46-F69 HydrophobicContact CG2-CG 4.45Å; V46-F69 HydrophobicContact CG2-CZ 4.41Å; I65-F69 WeakPolarHBondContact O-CB 3.22Å; I65-F69 PolarHBondContact O-N 2.93Å; F69-F71 HydrophobicContact CB-CD2 4.44Å; F69-F71 HydrophobicContact CB-CE2 3.96Å; F69-F71 HydrophobicContact CB-CZ 4.43Å; F69-F71 AromaticContact CD1-CD1 3.9Å; F69-F71 HydrophobicContact CD1-CD1 3.9Å; F69-F71 AromaticContact CD1-CD2 3.7Å; F69-F71 HydrophobicContact CD1-CD2 3.7Å; F69-F71 AromaticContact CD1-CE1 3.87Å; F69-F71 HydrophobicContact CD1-CE1 3.87Å; F69-F71 AromaticContact CD1-CE2 3.68Å; F69-F71 HydrophobicContact CD1-CE2 3.68Å; F69-F71 AromaticContact CD1-CG 3.83Å; F69-F71 HydrophobicContact CD1-CG 3.83Å; F69-F71 AromaticContact CD1-CZ 3.77Å; F69-F71 HydrophobicContact CD1-CZ 3.77Å; F69-F71 HydrophobicContact CE1-CD1 4.08Å; F69-F71 HydrophobicContact CE1-CE1 4.22Å; F69-F71 HydrophobicContact CE1-CG 4.27Å; F69-F71 HydrophobicContact CG-CE2 4.26Å; F69-F71 HydrophobicContact CG-CZ 4.42Å; F69-F71 WeakPolarHBondContact O-CD2 3.49Å; F69-F71 PolarHBondContact O-N 3.08Å; F69-F71 VanDerWaalsContact O-N 3.11Å; F69-T116 VanDerWaalsContact O-CB 3.28Å; F69-T116 WeakPolarHBondContact O-CB 3.36Å
70P93.2Very high94.9Very high95 Ų9558.5 Ų58.562%0.61730%0.304SS*.  trans-77.296.4178.231.5-33.2000110.5
71F94.3Very high94.9Very high10 Ų1057.3 Ų57.34%0.04429%0.294CS..  trans-72150.4177.2-70.2-92.6000111.1E43 V46 K47 I65 L66 F69 N75 H76 M79 T116 I117E43-F71 HydrophobicContact CG-CD1 3.79Å; E43-F71 HydrophobicContact CG-CE1 4.31Å; V46-F71 HydrophobicContact CG1-CE1 4.39Å; V46-F71 HydrophobicContact CG1-CZ 3.89Å; K47-F71 HydrophobicContact CB-CE1 4.18Å; I65-F71 HydrophobicContact CG2-CZ 4.33Å; L66-F71 HydrophobicContact CD2-CE2 3.93Å; L66-F71 HydrophobicContact CD2-CZ 4.23Å; F69-F71 HydrophobicContact CB-CD2 4.44Å; F69-F71 HydrophobicContact CB-CE2 3.96Å; F69-F71 HydrophobicContact CB-CZ 4.43Å; F69-F71 AromaticContact CD1-CD1 3.9Å; F69-F71 HydrophobicContact CD1-CD1 3.9Å; F69-F71 AromaticContact CD1-CD2 3.7Å; F69-F71 HydrophobicContact CD1-CD2 3.7Å; F69-F71 AromaticContact CD1-CE1 3.87Å; F69-F71 HydrophobicContact CD1-CE1 3.87Å; F69-F71 AromaticContact CD1-CE2 3.68Å; F69-F71 HydrophobicContact CD1-CE2 3.68Å; F69-F71 AromaticContact CD1-CG 3.83Å; F69-F71 HydrophobicContact CD1-CG 3.83Å; F69-F71 AromaticContact CD1-CZ 3.77Å; F69-F71 HydrophobicContact CD1-CZ 3.77Å; F69-F71 HydrophobicContact CE1-CD1 4.08Å; F69-F71 HydrophobicContact CE1-CE1 4.22Å; F69-F71 HydrophobicContact CE1-CG 4.27Å; F69-F71 HydrophobicContact CG-CE2 4.26Å; F69-F71 HydrophobicContact CG-CZ 4.42Å; F69-F71 WeakPolarHBondContact O-CD2 3.49Å; F69-F71 PolarHBondContact O-N 3.08Å; F69-F71 VanDerWaalsContact O-N 3.11Å; F71-N75 HydrophobicContact CD1-CB 4.48Å; F71-H76 PolarHBondContact O-CD2 3.35Å; F71-H76 PolarHBondContact O-NE2 3.18Å; F71-M79 HydrophobicContact CD1-CG 3.75Å; F71-M79 HydrophobicContact CD1-SD 4.18Å; F71-M79 HydrophobicContact CD2-CG 4.18Å; F71-M79 HydrophobicContact CE1-CG 3.88Å; F71-M79 HydrophobicContact CE1-SD 3.68Å; F71-M79 HydrophobicContact CE2-CG 4.29Å; F71-M79 HydrophobicContact CE2-SD 4.38Å; F71-M79 HydrophobicContact CG-CG 3.9Å; F71-M79 HydrophobicContact CZ-CG 4.14Å; F71-M79 HydrophobicContact CZ-SD 3.77Å; F71-T116 PolarHBondContact N-O 2.8Å; F71-T116 VanDerWaalsContact N-O 3.12Å; F71-I117 HydrophobicContact CB-CG2 4.25Å; F71-I117 HydrophobicContact CD2-CG2 3.39Å; F71-I117 HydrophobicContact CE2-CG2 4.05Å; F71-I117 HydrophobicContact CG-CG2 4.09Å
72S93.6Very high94.9Very high45 Ų4553.5 Ų53.532%0.31528%0.276SS..  trans-68.5148.9171.3-63.80000111.2E43 Y74 N75 H76E43-S72 VanDerWaalsContact CD-N 3.26Å; E43-S72 WeakPolarHBondContact OE1-CB 3.49Å; E43-S72 PolarHBondContact OE1-N 2.7Å; E43-S72 VanDerWaalsContact OE2-CB 3.23Å; E43-S72 WeakPolarHBondContact OE2-CB 3.35Å; E43-S72 PolarHBondContact OE2-N 2.72Å; E43-S72 VanDerWaalsContact OE2-N 3.07Å; E43-S72 PolarHBondContact OE2-OG 3.11Å; S72-Y74 VanDerWaalsContact CB-CD1 3.44Å; S72-Y74 PolarHBondContact O-N 2.94Å; S72-Y74 VanDerWaalsContact O-N 3.08Å; S72-N75 PolarHBondContact O-N 2.79Å; S72-H76 PolarHBondContact O-CD2 2.8Å; S72-H76 PolarHBondContact O-N 2.99Å
73V91.7Very high94.9Very high121 Ų12154.3 Ų54.373%0.73328%0.279SS*.Hα-helixtrans-55.8-33.6-173.8-1780000112.7N75 H76V73-N75 VanDerWaalsContact C-N 3.29Å; V73-N75 PolarHBondContact O-N 2.98Å; V73-H76 WeakPolarHBondContact O-CB 3.38Å; V73-H76 PolarHBondContact O-N 3.28Å
74Y92.5Very high94.9Very high166 Ų16655.5 Ų55.565%0.65128%0.284SS*.Hα-helixtrans-66.7-28.1178.765.3-95000113.3S72S72-Y74 VanDerWaalsContact CB-CD1 3.44Å; S72-Y74 PolarHBondContact O-N 2.94Å; S72-Y74 VanDerWaalsContact O-N 3.08Å
75N93.5Very high95Very high9 Ų954.1 Ų54.15%0.04828%0.279CS..Hα-helixtrans-89.8-8.1175.3-78.3-39.4000113E43 K47 F71 S72 V73 N77 E78 M79E43-N75 WeakPolarHBondContact OE1-CB 3.26Å; E43-N75 PolarHBondContact OE1-ND2 2.96Å; K47-N75 PolarHBondContact NZ-OD1 3.37Å; F71-N75 HydrophobicContact CD1-CB 4.48Å; S72-N75 PolarHBondContact O-N 2.79Å; V73-N75 VanDerWaalsContact C-N 3.29Å; V73-N75 PolarHBondContact O-N 2.98Å; N75-N77 VanDerWaalsContact C-N 3.34Å; N75-N77 PolarHBondContact O-N 2.92Å; N75-E78 PolarHBondContact O-N 3.44Å; N75-M79 WeakPolarHBondContact O-CG 3.42Å; N75-M79 PolarHBondContact O-N 2.94Å
76H94.3Very high95.1Very high24 Ų2452.2 Ų52.211%0.11127%0.269CS..Hα-helixtrans-57.1-44.3-176.4-77.7-168.8000112.5F71 S72 V73 E78 M79 Q80 T116 I117F71-H76 PolarHBondContact O-CD2 3.35Å; F71-H76 PolarHBondContact O-NE2 3.18Å; S72-H76 PolarHBondContact O-CD2 2.8Å; S72-H76 PolarHBondContact O-N 2.99Å; V73-H76 WeakPolarHBondContact O-CB 3.38Å; V73-H76 PolarHBondContact O-N 3.28Å; H76-E78 VanDerWaalsContact C-N 3.33Å; H76-E78 PolarHBondContact O-N 2.89Å; H76-M79 PolarHBondContact O-N 3.37Å; H76-Q80 VanDerWaalsContact O-CB 3.31Å; H76-Q80 WeakPolarHBondContact O-CB 3.43Å; H76-Q80 WeakPolarHBondContact O-CG 3.34Å; H76-Q80 PolarHBondContact O-N 3.46Å; H76-T116 PolarHBondContact NE2-O 2.98Å; H76-I117 WeakPolarHBondContact CB-O 3.34Å; H76-I117 VanDerWaalsContact CG-O 3.3Å
77N92.9Very high95.2Very high109 Ų10953.3 Ų53.358%0.58327%0.274SS*.Hα-helixtrans-58.7-46.3179.7-177.345.9000111.6N75 Q80 N81N75-N77 VanDerWaalsContact C-N 3.34Å; N75-N77 PolarHBondContact O-N 2.92Å; N77-Q80 PolarHBondContact O-N 2.96Å; N77-N81 VanDerWaalsContact O-CG 3.28Å; N77-N81 PolarHBondContact O-N 2.69Å; N77-N81 PolarHBondContact O-ND2 3.26Å
78E94.5Very high95.3Very high41 Ų4150.7 Ų50.719%0.19226%0.259CS..Hα-helixtrans-65.2-43.8179.9-170.6167.4-141.900111.8Y18 K47 N75 H76 N81 L82Y18-E78 VanDerWaalsContact CE1-OE1 3.24Å; Y18-E78 WeakPolarHBondContact CE1-OE1 3.25Å; Y18-E78 VanDerWaalsContact CZ-OE1 3.27Å; Y18-E78 PolarHBondContact OH-OE1 3.25Å; Y18-E78 PolarHBondContact OH-OE2 3.38Å; K47-E78 WeakPolarHBondContact CD-OE2 3.45Å; K47-E78 IonicContact NZ-OE2 2.79Å; K47-E78 PolarHBondContact NZ-OE2 3.01Å; N75-E78 PolarHBondContact O-N 3.44Å; H76-E78 VanDerWaalsContact C-N 3.33Å; H76-E78 PolarHBondContact O-N 2.89Å; E78-N81 WeakPolarHBondContact O-CB 3.46Å; E78-N81 PolarHBondContact O-N 3.35Å; E78-L82 PolarHBondContact O-N 2.82Å
79M96.5Very high95.4Very high2 Ų245.7 Ų45.71%0.0124%0.235CC..Hα-helixtrans-70.6-33.5178.3-64.2-58.19100113K47 L66 F71 N75 H76 L82 W83 I117K47-M79 HydrophobicContact CD-CE 3.76Å; K47-M79 HydrophobicContact CG-CE 3.58Å; K47-M79 HydrophobicContact CG-SD 4.14Å; L66-M79 HydrophobicContact CD2-CB 4.15Å; L66-M79 HydrophobicContact CD2-CG 4.37Å; L66-M79 HydrophobicContact CD2-SD 3.88Å; F71-M79 HydrophobicContact CD1-CG 3.75Å; F71-M79 HydrophobicContact CD1-SD 4.18Å; F71-M79 HydrophobicContact CD2-CG 4.18Å; F71-M79 HydrophobicContact CE1-CG 3.88Å; F71-M79 HydrophobicContact CE1-SD 3.68Å; F71-M79 HydrophobicContact CE2-CG 4.29Å; F71-M79 HydrophobicContact CE2-SD 4.38Å; F71-M79 HydrophobicContact CG-CG 3.9Å; F71-M79 HydrophobicContact CZ-CG 4.14Å; F71-M79 HydrophobicContact CZ-SD 3.77Å; N75-M79 WeakPolarHBondContact O-CG 3.42Å; N75-M79 PolarHBondContact O-N 2.94Å; H76-M79 PolarHBondContact O-N 3.37Å; M79-L82 HydrophobicContact CE-CD2 4.18Å; M79-L82 PolarHBondContact O-N 3.49Å; M79-L82 HydrophobicContact SD-CD2 4.33Å; M79-W83 WeakPolarHBondContact O-CB 2.83Å; M79-W83 PolarHBondContact O-N 3.38Å; M79-I117 HydrophobicContact CB-CB 3.98Å; M79-I117 HydrophobicContact CB-CD1 4.17Å; M79-I117 HydrophobicContact CB-CG2 3.66Å; M79-I117 HydrophobicContact CG-CG2 4.29Å
80Q96Very high95.6Very high44 Ų4447.7 Ų47.721%0.20624%0.244CC..Hα-helixtrans-65-40.9172-73.9172.434.500111.2H76 N77 W83 Y84 P113 I117H76-Q80 VanDerWaalsContact O-CB 3.31Å; H76-Q80 WeakPolarHBondContact O-CB 3.43Å; H76-Q80 WeakPolarHBondContact O-CG 3.34Å; H76-Q80 PolarHBondContact O-N 3.46Å; N77-Q80 PolarHBondContact O-N 2.96Å; Q80-W83 WeakPolarHBondContact O-CB 3.04Å; Q80-W83 PolarHBondContact O-N 3.17Å; Q80-Y84 WeakPolarHBondContact O-CD2 3.38Å; Q80-Y84 PolarHBondContact O-N 3.45Å; Q80-Y84 VanDerWaalsContact O-N 3.1Å; Q80-P113 HydrophobicContact CG-CB 4.07Å; Q80-P113 HydrophobicContact CG-CG 4.03Å; Q80-I117 HydrophobicContact CG-CD1 4.37Å; Q80-I117 HydrophobicContact CG-CG1 4.27Å; Q80-I117 WeakPolarHBondContact CG-O 3.46Å; Q80-I117 PolarHBondContact NE2-O 3.05Å
81N96.3Very high95.7Very high67 Ų6744.4 Ų44.436%0.35822%0.221SC..Hα-helixtrans-61-49.2173.6-72.5-24000110.5N77 E78 W83 Y84 Q85 F235N77-N81 VanDerWaalsContact O-CG 3.28Å; N77-N81 PolarHBondContact O-N 2.69Å; N77-N81 PolarHBondContact O-ND2 3.26Å; E78-N81 WeakPolarHBondContact O-CB 3.46Å; E78-N81 PolarHBondContact O-N 3.35Å; N81-W83 VanDerWaalsContact C-N 3.33Å; N81-W83 PolarHBondContact O-N 2.96Å; N81-Y84 PolarHBondContact O-N 2.84Å; N81-Q85 VanDerWaalsContact O-CG 3.27Å; N81-Q85 WeakPolarHBondContact O-CG 3.41Å; N81-Q85 PolarHBondContact O-N 2.93Å; N81-F235 HydrophobicContact CB-CD2 4.48Å
82L97.4Very high95.9Very high3 Ų346 Ų462%0.01623%0.229CC..Hα-helixtrans-57.6-43.6176.9-17362.8000112.3A50 F54 L62 E78 M79 Y84 Q85 A86 F235A50-L82 HydrophobicContact CB-CD2 3.8Å; F54-L82 HydrophobicContact CB-CD1 3.62Å; F54-L82 HydrophobicContact CD1-CD1 3.83Å; F54-L82 HydrophobicContact CD2-CD1 4.13Å; F54-L82 HydrophobicContact CG-CD1 3.58Å; L62-L82 HydrophobicContact CD1-CD2 3.91Å; L62-L82 HydrophobicContact CD1-CG 4.29Å; E78-L82 PolarHBondContact O-N 2.82Å; M79-L82 HydrophobicContact CE-CD2 4.18Å; M79-L82 PolarHBondContact O-N 3.49Å; M79-L82 HydrophobicContact SD-CD2 4.33Å; L82-Y84 PolarHBondContact O-N 3.28Å; L82-Q85 PolarHBondContact O-N 3.29Å; L82-A86 VanDerWaalsContact O-CB 3.24Å; L82-A86 WeakPolarHBondContact O-CB 3.38Å; L82-A86 PolarHBondContact O-N 2.88Å; L82-F235 HydrophobicContact CD1-CZ 4.11Å
83W97.8Very high96Very high16 Ų1648.6 Ų48.66%0.06124%0.238CC..Hα-helixtrans-55-50.9175.5172-92.5000112F63 L66 M79 Q80 N81 A86 K87 F111 P112 P114 I117F63-W83 HydrophobicContact CB-CZ3 4.3Å; F63-W83 HydrophobicContact CD1-CD2 4.45Å; F63-W83 AromaticContact CD1-CE3 3.69Å; F63-W83 HydrophobicContact CD1-CE3 3.69Å; F63-W83 HydrophobicContact CD1-CH2 4.31Å; F63-W83 AromaticContact CD1-CZ3 3.6Å; F63-W83 HydrophobicContact CD1-CZ3 3.6Å; F63-W83 HydrophobicContact CE1-CD2 4.5Å; F63-W83 HydrophobicContact CE1-CE3 4.16Å; F63-W83 HydrophobicContact CE1-CZ3 4.36Å; F63-W83 HydrophobicContact CG-CZ3 4.24Å; L66-W83 HydrophobicContact CB-CE3 4.15Å; L66-W83 HydrophobicContact CB-CZ3 4.49Å; L66-W83 HydrophobicContact CD1-CB 4.06Å; L66-W83 HydrophobicContact CD1-CE3 3.94Å; M79-W83 WeakPolarHBondContact O-CB 2.83Å; M79-W83 PolarHBondContact O-N 3.38Å; Q80-W83 WeakPolarHBondContact O-CB 3.04Å; Q80-W83 PolarHBondContact O-N 3.17Å; N81-W83 VanDerWaalsContact C-N 3.33Å; N81-W83 PolarHBondContact O-N 2.96Å; W83-A86 PolarHBondContact O-N 2.97Å; W83-K87 WeakPolarHBondContact O-CG 3.13Å; W83-K87 PolarHBondContact O-N 3.32Å; W83-F111 PolarHBondContact NE1-O 3.32Å; W83-P112 WeakPolarHBondContact CZ2-O 3.32Å; W83-P114 HydrophobicContact CE3-CG 4.2Å; W83-P114 HydrophobicContact CH2-CG 4.43Å; W83-P114 HydrophobicContact CZ3-CG 3.98Å; W83-I117 HydrophobicContact CB-CD1 3.99Å; W83-I117 HydrophobicContact CG-CD1 4.49Å
84Y97.6Very high96Very high44 Ų4447.4 Ų47.417%0.17324%0.235CC..Hα-helixtrans-71.8-39.9-177.9-70.9-53.6000112.7Q80 N81 L82 A86 K87 Y88 R108 F111 P113Q80-Y84 WeakPolarHBondContact O-CD2 3.38Å; Q80-Y84 PolarHBondContact O-N 3.45Å; Q80-Y84 VanDerWaalsContact O-N 3.1Å; N81-Y84 PolarHBondContact O-N 2.84Å; L82-Y84 PolarHBondContact O-N 3.28Å; Y84-A86 VanDerWaalsContact C-N 3.3Å; Y84-A86 PolarHBondContact O-N 3.35Å; Y84-K87 PolarHBondContact O-N 3.23Å; Y84-Y88 VanDerWaalsContact O-CD2 3.23Å; Y84-Y88 WeakPolarHBondContact O-CD2 3.44Å; Y84-Y88 PolarHBondContact O-N 2.87Å; Y84-R108 HydrophobicContact CD1-CB 4.47Å; Y84-R108 HydrophobicContact CD1-CG 3.73Å; Y84-R108 HydrophobicContact CE1-CB 3.92Å; Y84-R108 HydrophobicContact CE1-CG 3.62Å; Y84-R108 HydrophobicContact CE2-CG 4.47Å; Y84-R108 HydrophobicContact CG-CG 4.21Å; Y84-F111 WeakPolarHBondContact CE1-O 3.34Å; Y84-P113 HydrophobicContact CE2-CG 3.92Å; Y84-P113 VanDerWaalsContact OH-CD 3.25Å; Y84-P113 WeakPolarHBondContact OH-CD 3.31Å; Y84-P113 WeakPolarHBondContact OH-CG 3.16Å
85Q97.5Very high96.1Very high71 Ų7146.5 Ų46.533%0.33223%0.231SC..Hα-helixtrans-60.1-42.9174.8-66.4-61.8-4.300111.2F54 N81 L82 K87 Y88 A89 F235F54-Q85 HydrophobicContact CE2-CB 3.99Å; F54-Q85 HydrophobicContact CZ-CB 3.91Å; N81-Q85 VanDerWaalsContact O-CG 3.27Å; N81-Q85 WeakPolarHBondContact O-CG 3.41Å; N81-Q85 PolarHBondContact O-N 2.93Å; L82-Q85 PolarHBondContact O-N 3.29Å; Q85-K87 PolarHBondContact O-N 3.36Å; Q85-Y88 PolarHBondContact O-N 3.07Å; Q85-A89 WeakPolarHBondContact O-CB 3.39Å; Q85-A89 PolarHBondContact O-N 2.89Å; Q85-F235 HydrophobicContact CG-CD1 4.44Å
86A98.1Very high96.1Very high0 Ų049.5 Ų49.50%026%0.264CS..Hα-helixtrans-62.1-41.9174.300000112.8F54 F59 L62 F63 L82 W83 Y84 Q90F54-A86 HydrophobicContact CD2-CB 3.89Å; F54-A86 HydrophobicContact CE2-CB 4.25Å; F59-A86 HydrophobicContact CD1-CB 3.9Å; F59-A86 HydrophobicContact CE1-CB 4.29Å; L62-A86 HydrophobicContact CD2-CB 3.44Å; L62-A86 VanDerWaalsContact CD2-CB 3.44Å; F63-A86 HydrophobicContact CE1-CB 3.72Å; F63-A86 HydrophobicContact CZ-CB 3.9Å; L82-A86 VanDerWaalsContact O-CB 3.24Å; L82-A86 WeakPolarHBondContact O-CB 3.38Å; L82-A86 PolarHBondContact O-N 2.88Å; W83-A86 PolarHBondContact O-N 2.97Å; Y84-A86 VanDerWaalsContact C-N 3.3Å; Y84-A86 PolarHBondContact O-N 3.35Å; A86-Q90 VanDerWaalsContact O-CB 3.27Å; A86-Q90 WeakPolarHBondContact O-CB 3.24Å; A86-Q90 PolarHBondContact O-N 2.84Å
87K97.7Very high96.1Very high22 Ų2253.4 Ų53.410%0.09628%0.282CS..Hα-helixtrans-65.2-40.4175.5-72.6-67.3177.8-162.90112.3F63 W83 Y84 Q85 I91 V107 F111F63-K87 HydrophobicContact CE1-CD 3.98Å; F63-K87 HydrophobicContact CE1-CG 4.02Å; F63-K87 HydrophobicContact CE2-CD 4.14Å; F63-K87 VanDerWaalsContact CE2-NZ 3.29Å; F63-K87 HydrophobicContact CZ-CD 3.54Å; F63-K87 VanDerWaalsContact CZ-CE 3.44Å; F63-K87 HydrophobicContact CZ-CG 3.93Å; W83-K87 WeakPolarHBondContact O-CG 3.13Å; W83-K87 PolarHBondContact O-N 3.32Å; Y84-K87 PolarHBondContact O-N 3.23Å; Q85-K87 PolarHBondContact O-N 3.36Å; K87-I91 WeakPolarHBondContact O-CD1 3.41Å; K87-I91 VanDerWaalsContact O-CG1 3.29Å; K87-I91 WeakPolarHBondContact O-CG1 3.34Å; K87-I91 PolarHBondContact O-N 3.05Å; K87-V107 HydrophobicContact CB-CG1 3.84Å; K87-F111 HydrophobicContact CD-CB 4.29Å; K87-F111 HydrophobicContact CD-CD2 4.34Å; K87-F111 HydrophobicContact CD-CG 4.24Å; K87-F111 HydrophobicContact CG-CB 4.41Å
88Y97.9Very high96.2Very high19 Ų1955.1 Ų55.18%0.07529%0.286CS..Hα-helixtrans-63-54175-58.7-29.3000110.3Y84 Q85 Q90 I91 E92 L99 K104 V107 R108Y84-Y88 VanDerWaalsContact O-CD2 3.23Å; Y84-Y88 WeakPolarHBondContact O-CD2 3.44Å; Y84-Y88 PolarHBondContact O-N 2.87Å; Q85-Y88 PolarHBondContact O-N 3.07Å; Y88-Q90 VanDerWaalsContact C-N 3.34Å; Y88-Q90 PolarHBondContact O-N 3.02Å; Y88-I91 PolarHBondContact O-N 3.18Å; Y88-E92 WeakPolarHBondContact O-CB 3.35Å; Y88-E92 VanDerWaalsContact O-CG 3.26Å; Y88-E92 WeakPolarHBondContact O-CG 3.26Å; Y88-E92 PolarHBondContact O-N 3.49Å; Y88-L99 HydrophobicContact CD1-CD1 4.06Å; Y88-L99 HydrophobicContact CG-CD1 4.44Å; Y88-K104 HydrophobicContact CD1-CB 4.34Å; Y88-K104 HydrophobicContact CD1-CG 3.96Å; Y88-K104 HydrophobicContact CD2-CD 4.16Å; Y88-K104 HydrophobicContact CD2-CG 4.36Å; Y88-K104 HydrophobicContact CE1-CB 3.73Å; Y88-K104 HydrophobicContact CE1-CG 3.83Å; Y88-K104 HydrophobicContact CE2-CB 4.48Å; Y88-K104 HydrophobicContact CE2-CD 4.03Å; Y88-K104 HydrophobicContact CE2-CG 4.24Å; Y88-K104 HydrophobicContact CG-CD 4.47Å; Y88-K104 HydrophobicContact CG-CG 4.24Å; Y88-V107 HydrophobicContact CD1-CB 4.12Å; Y88-V107 HydrophobicContact CD1-CG1 3.77Å; Y88-V107 HydrophobicContact CE1-CB 3.87Å; Y88-V107 HydrophobicContact CE1-CG1 3.72Å; Y88-R108 HydrophobicContact CE1-CG 4.45Å; Y88-R108 VanDerWaalsContact OH-CD 3.24Å; Y88-R108 WeakPolarHBondContact OH-CD 3.34Å; Y88-R108 WeakPolarHBondContact OH-CG 3.41Å
89A97.2Very high96.2Very high22 Ų2253.6 Ų53.618%0.18228%0.28CS..Hα-helixtrans-57.2-44.2-179.700000112.5F54 F59 Q85 I91 E92 I93F54-A89 HydrophobicContact CE2-CB 4.36Å; F59-A89 HydrophobicContact CE1-CB 3.95Å; F59-A89 HydrophobicContact CZ-CB 3.7Å; Q85-A89 WeakPolarHBondContact O-CB 3.39Å; Q85-A89 PolarHBondContact O-N 2.89Å; A89-I91 VanDerWaalsContact C-N 3.3Å; A89-I91 PolarHBondContact O-N 3.01Å; A89-E92 PolarHBondContact O-N 2.92Å; A89-I93 WeakPolarHBondContact O-CB 3.46Å; A89-I93 WeakPolarHBondContact O-CD1 3.48Å; A89-I93 VanDerWaalsContact O-CG1 3.22Å; A89-I93 WeakPolarHBondContact O-CG1 3.29Å; A89-I93 PolarHBondContact O-N 3.46Å
90Q97Very high96.2Very high71 Ų7158.4 Ų58.433%0.33231%0.305SS..Hα-helixtrans-57.6-42.7176.3-179.5175.361.300112F59 A86 Y88 S94F59-Q90 HydrophobicContact CD2-CB 3.84Å; F59-Q90 HydrophobicContact CD2-CG 4.18Å; F59-Q90 HydrophobicContact CE2-CB 4.11Å; F59-Q90 HydrophobicContact CG-CB 4.16Å; A86-Q90 VanDerWaalsContact O-CB 3.27Å; A86-Q90 WeakPolarHBondContact O-CB 3.24Å; A86-Q90 PolarHBondContact O-N 2.84Å; Y88-Q90 VanDerWaalsContact C-N 3.34Å; Y88-Q90 PolarHBondContact O-N 3.02Å; Q90-S94 PolarHBondContact O-N 3.33Å
91I96.5Very high96.2Very high26 Ų2660 Ų6013%0.13333%0.326CS..Hα-helixtrans-75-41.6-179.6-67.3169.2000111K87 Y88 A89 I93 S94 R95 L99 V107 F111K87-I91 WeakPolarHBondContact O-CD1 3.41Å; K87-I91 VanDerWaalsContact O-CG1 3.29Å; K87-I91 WeakPolarHBondContact O-CG1 3.34Å; K87-I91 PolarHBondContact O-N 3.05Å; Y88-I91 PolarHBondContact O-N 3.18Å; A89-I91 VanDerWaalsContact C-N 3.3Å; A89-I91 PolarHBondContact O-N 3.01Å; I91-I93 VanDerWaalsContact C-N 3.32Å; I91-I93 PolarHBondContact O-N 3.49Å; I91-S94 WeakPolarHBondContact CA-OG 3.41Å; I91-S94 PolarHBondContact O-N 3.46Å; I91-S94 VanDerWaalsContact O-N 3.12Å; I91-S94 PolarHBondContact O-OG 3.1Å; I91-R95 HydrophobicContact CG2-CG 4.25Å; I91-R95 WeakPolarHBondContact O-CG 3.35Å; I91-R95 PolarHBondContact O-N 3.43Å; I91-L99 HydrophobicContact CB-CD1 4.15Å; I91-L99 HydrophobicContact CG2-CD1 4.04Å; I91-L99 HydrophobicContact CG2-CD2 3.9Å; I91-L99 HydrophobicContact CG2-CG 4.39Å; I91-V107 HydrophobicContact CD1-CB 4.36Å; I91-V107 HydrophobicContact CD1-CG1 4.03Å; I91-V107 HydrophobicContact CD1-CG2 3.37Å; I91-F111 HydrophobicContact CD1-CE2 4.39Å
92E96.9Very high96.2Very high45 Ų4560.9 Ų60.921%0.2133%0.334CS..Hα-helixtrans-60.1-42.7177.6-71.3174.9162.700111.1Y88 A89 S94 R95 G96 L99Y88-E92 WeakPolarHBondContact O-CB 3.35Å; Y88-E92 VanDerWaalsContact O-CG 3.26Å; Y88-E92 WeakPolarHBondContact O-CG 3.26Å; Y88-E92 PolarHBondContact O-N 3.49Å; A89-E92 PolarHBondContact O-N 2.92Å; E92-S94 VanDerWaalsContact C-N 3.34Å; E92-S94 PolarHBondContact O-N 3.21Å; E92-R95 PolarHBondContact O-N 3.37Å; E92-G96 PolarHBondContact O-N 2.81Å; E92-L99 HydrophobicContact CG-CB 4.28Å; E92-L99 HydrophobicContact CG-CD1 3.97Å; E92-L99 HydrophobicContact CG-CG 3.65Å; E92-L99 PolarHBondContact OE1-N 2.94Å
93I95.4Very high96.1Very high99 Ų9961.3 Ų61.351%0.50834%0.338SS..Hα-helixtrans-60.6-43.4173.3-69.6162.2000110.9K57 F59 A89 I91 R95K57-I93 HydrophobicContact CD-CD1 3.94Å; K57-I93 HydrophobicContact CG-CD1 4.46Å; F59-I93 HydrophobicContact CE2-CD1 3.69Å; F59-I93 HydrophobicContact CZ-CD1 3.93Å; A89-I93 WeakPolarHBondContact O-CB 3.46Å; A89-I93 WeakPolarHBondContact O-CD1 3.48Å; A89-I93 VanDerWaalsContact O-CG1 3.22Å; A89-I93 WeakPolarHBondContact O-CG1 3.29Å; A89-I93 PolarHBondContact O-N 3.46Å; I91-I93 VanDerWaalsContact C-N 3.32Å; I91-I93 PolarHBondContact O-N 3.49Å; I93-R95 VanDerWaalsContact C-N 3.32Å; I93-R95 PolarHBondContact O-N 2.89Å
94S93.4Very high96.1Very high95 Ų9564 Ų6466%0.66435%0.35SS*.Hα-helixtrans-69.3-26.5179.973.70000114.2Q90 I91 E92Q90-S94 PolarHBondContact O-N 3.33Å; I91-S94 WeakPolarHBondContact CA-OG 3.41Å; I91-S94 PolarHBondContact O-N 3.46Å; I91-S94 VanDerWaalsContact O-N 3.12Å; I91-S94 PolarHBondContact O-OG 3.1Å; E92-S94 VanDerWaalsContact C-N 3.34Å; E92-S94 PolarHBondContact O-N 3.21Å
95R93.8Very high96Very high147 Ų14766.1 Ų66.156%0.55536%0.358SS*.Hα-helixtrans-98.7-19.7-177.1-68.6-176.4176.8-168.1-3.7113.6I91 E92 I93 H97I91-R95 HydrophobicContact CG2-CG 4.25Å; I91-R95 WeakPolarHBondContact O-CG 3.35Å; I91-R95 PolarHBondContact O-N 3.43Å; E92-R95 PolarHBondContact O-N 3.37Å; I93-R95 VanDerWaalsContact C-N 3.32Å; I93-R95 PolarHBondContact O-N 2.89Å; R95-H97 VanDerWaalsContact C-N 3.29Å; R95-H97 PolarHBondContact O-N 3.09Å
96G94.4Very high96Very high72 Ų7271 Ų7174%0.74237%0.374SS*.THydrogen-bonded Turntrans75.810-176.600000114.8E92E92-G96 PolarHBondContact O-N 2.81Å
97H93.5Very high95.9Very high107 Ų10771.6 Ų71.650%0.49538%0.377SS..SBendtrans-146.5155.5177.474.793.3000111.7R95R95-H97 VanDerWaalsContact C-N 3.29Å; R95-H97 PolarHBondContact O-N 3.09Å
98Q94.8Very high95.7Very high145 Ų14575.9 Ų75.968%0.67839%0.393SS*.PPolyproline II helixtrans-67.6146.7178.3-65.3-179.68.700111.8
99L95.1Very high95.4Very high9 Ų980.2 Ų80.25%0.04741%0.412CS..PPolyproline II helixtrans-81.7126.9179.3-68.9168.3000110.8Y88 I91 E92 A103 K104 V107Y88-L99 HydrophobicContact CD1-CD1 4.06Å; Y88-L99 HydrophobicContact CG-CD1 4.44Å; I91-L99 HydrophobicContact CB-CD1 4.15Å; I91-L99 HydrophobicContact CG2-CD1 4.04Å; I91-L99 HydrophobicContact CG2-CD2 3.9Å; I91-L99 HydrophobicContact CG2-CG 4.39Å; E92-L99 HydrophobicContact CG-CB 4.28Å; E92-L99 HydrophobicContact CG-CD1 3.97Å; E92-L99 HydrophobicContact CG-CG 3.65Å; E92-L99 PolarHBondContact OE1-N 2.94Å; L99-A103 HydrophobicContact CB-CB 4.15Å; L99-A103 HydrophobicContact CD2-CB 3.6Å; L99-A103 HydrophobicContact CG-CB 4.43Å; L99-K104 HydrophobicContact CB-CG 3.79Å; L99-K104 WeakPolarHBondContact O-CE 3.36Å; L99-V107 HydrophobicContact CD1-CG2 4.29Å
100N96.4Very high95.4Very high102 Ų10286.6 Ų86.655%0.54544%0.436SS..PPolyproline II helixtrans-68.5169.3167.367.536.5000111.9V102 A103 K104N100-V102 VanDerWaalsContact C-N 3.31Å; N100-V102 PolarHBondContact O-N 2.77Å; N100-V102 PolarHBondContact OD1-N 3.32Å; N100-A103 PolarHBondContact O-N 3.39Å; N100-A103 VanDerWaalsContact O-N 3.12Å; N100-A103 WeakPolarHBondContact OD1-CB 3.26Å; N100-A103 PolarHBondContact OD1-N 3.43Å; N100-K104 PolarHBondContact O-N 2.88Å
101A96.4Very high95.3Very high79 Ų7986.3 Ų86.365%0.65343%0.433SS*.Hα-helixtrans-56.8-40.3-176.300000113.5K104 Y105A101-K104 PolarHBondContact O-N 3.41Å; A101-Y105 PolarHBondContact O-N 3.37Å
102V95.6Very high95.1Very high84 Ų8488.2 Ų88.251%0.50945%0.447SS..Hα-helixtrans-67-41.6178.9-179.60000110.7N100 Y105 R106N100-V102 VanDerWaalsContact C-N 3.31Å; N100-V102 PolarHBondContact O-N 2.77Å; N100-V102 PolarHBondContact OD1-N 3.32Å; V102-Y105 WeakPolarHBondContact O-CB 3.46Å; V102-Y105 PolarHBondContact O-N 3Å; V102-R106 WeakPolarHBondContact O-CG 3.49Å; V102-R106 PolarHBondContact O-N 2.97Å
103A96.1Very high95Very high13 Ų1386.5 Ų86.511%0.10744%0.44CS..Hα-helixtrans-65.4-42.9176.800000111.1L99 N100 Y105 R106 V107L99-A103 HydrophobicContact CB-CB 4.15Å; L99-A103 HydrophobicContact CD2-CB 3.6Å; L99-A103 HydrophobicContact CG-CB 4.43Å; N100-A103 PolarHBondContact O-N 3.39Å; N100-A103 VanDerWaalsContact O-N 3.12Å; N100-A103 WeakPolarHBondContact OD1-CB 3.26Å; N100-A103 PolarHBondContact OD1-N 3.43Å; A103-Y105 VanDerWaalsContact C-N 3.32Å; A103-Y105 PolarHBondContact O-N 2.81Å; A103-R106 PolarHBondContact O-N 3.32Å; A103-V107 WeakPolarHBondContact O-CG2 3.46Å; A103-V107 PolarHBondContact O-N 3.35Å
104K97.2Very high95Very high72 Ų7282.6 Ų82.631%0.31342%0.421SS..Hα-helixtrans-59.2-40.2172.3-69.8-174.8178.1179.30112.1Y88 L99 N100 A101 V107 R108Y88-K104 HydrophobicContact CD1-CB 4.34Å; Y88-K104 HydrophobicContact CD1-CG 3.96Å; Y88-K104 HydrophobicContact CD2-CD 4.16Å; Y88-K104 HydrophobicContact CD2-CG 4.36Å; Y88-K104 HydrophobicContact CE1-CB 3.73Å; Y88-K104 HydrophobicContact CE1-CG 3.83Å; Y88-K104 HydrophobicContact CE2-CB 4.48Å; Y88-K104 HydrophobicContact CE2-CD 4.03Å; Y88-K104 HydrophobicContact CE2-CG 4.24Å; Y88-K104 HydrophobicContact CG-CD 4.47Å; Y88-K104 HydrophobicContact CG-CG 4.24Å; L99-K104 HydrophobicContact CB-CG 3.79Å; L99-K104 WeakPolarHBondContact O-CE 3.36Å; N100-K104 PolarHBondContact O-N 2.88Å; A101-K104 PolarHBondContact O-N 3.41Å; K104-V107 PolarHBondContact O-N 3.32Å; K104-R108 WeakPolarHBondContact O-CG 3.23Å; K104-R108 PolarHBondContact O-N 3.21Å
105Y95.4Very high94.9Very high89 Ų8987.3 Ų87.335%0.34943%0.43SS..Hα-helixtrans-59.6-47.7172.8171.7-95.3000112.5A101 V102 A103 V107 R108 K109A101-Y105 PolarHBondContact O-N 3.37Å; V102-Y105 WeakPolarHBondContact O-CB 3.46Å; V102-Y105 PolarHBondContact O-N 3Å; A103-Y105 VanDerWaalsContact C-N 3.32Å; A103-Y105 PolarHBondContact O-N 2.81Å; Y105-V107 VanDerWaalsContact C-N 3.26Å; Y105-V107 PolarHBondContact O-N 2.98Å; Y105-R108 PolarHBondContact O-N 3.32Å; Y105-K109 HydrophobicContact CE1-CG 3.99Å; Y105-K109 HydrophobicContact CE2-CG 4.19Å; Y105-K109 PolarHBondContact O-N 3.39Å; Y105-K109 VanDerWaalsContact OH-CE 3.23Å; Y105-K109 WeakPolarHBondContact OH-CE 3.25Å
106R96.9Very high94.9Very high174 Ų17481.7 Ų81.766%0.65741%0.412SS*.Hα-helixtrans-59-39.2177.1-69.2174.5-177.3177.61.5111.7V102 A103 K109 K110V102-R106 WeakPolarHBondContact O-CG 3.49Å; V102-R106 PolarHBondContact O-N 2.97Å; A103-R106 PolarHBondContact O-N 3.32Å; R106-K109 PolarHBondContact O-N 3.2Å; R106-K110 WeakPolarHBondContact O-CB 3.35Å; R106-K110 PolarHBondContact O-N 3.2Å
107V95.6Very high94.9Very high11 Ų1178.2 Ų78.27%0.06738%0.376CS..Hα-helixtrans-63.4-47.5176.11720000111.3K87 Y88 I91 L99 A103 K104 Y105 K109 K110 F111K87-V107 HydrophobicContact CB-CG1 3.84Å; Y88-V107 HydrophobicContact CD1-CB 4.12Å; Y88-V107 HydrophobicContact CD1-CG1 3.77Å; Y88-V107 HydrophobicContact CE1-CB 3.87Å; Y88-V107 HydrophobicContact CE1-CG1 3.72Å; I91-V107 HydrophobicContact CD1-CB 4.36Å; I91-V107 HydrophobicContact CD1-CG1 4.03Å; I91-V107 HydrophobicContact CD1-CG2 3.37Å; L99-V107 HydrophobicContact CD1-CG2 4.29Å; A103-V107 WeakPolarHBondContact O-CG2 3.46Å; A103-V107 PolarHBondContact O-N 3.35Å; K104-V107 PolarHBondContact O-N 3.32Å; Y105-V107 VanDerWaalsContact C-N 3.26Å; Y105-V107 PolarHBondContact O-N 2.98Å; V107-K109 VanDerWaalsContact C-N 3.29Å; V107-K109 PolarHBondContact O-N 3.4Å; V107-K110 PolarHBondContact O-N 3.3Å; V107-F111 HydrophobicContact CG1-CD2 4.11Å; V107-F111 PolarHBondContact O-N 3.34Å
108R95.1Very high94.6Very high112 Ų11275.3 Ų75.342%0.42336%0.361SS..Hα-helixtrans-59.3-39.7177.4-69.5-176.7-74.1148.2-3.3112.7Y84 Y88 K104 Y105Y84-R108 HydrophobicContact CD1-CB 4.47Å; Y84-R108 HydrophobicContact CD1-CG 3.73Å; Y84-R108 HydrophobicContact CE1-CB 3.92Å; Y84-R108 HydrophobicContact CE1-CG 3.62Å; Y84-R108 HydrophobicContact CE2-CG 4.47Å; Y84-R108 HydrophobicContact CG-CG 4.21Å; Y88-R108 HydrophobicContact CE1-CG 4.45Å; Y88-R108 VanDerWaalsContact OH-CD 3.24Å; Y88-R108 WeakPolarHBondContact OH-CD 3.34Å; Y88-R108 WeakPolarHBondContact OH-CG 3.41Å; K104-R108 WeakPolarHBondContact O-CG 3.23Å; K104-R108 PolarHBondContact O-N 3.21Å; Y105-R108 PolarHBondContact O-N 3.32Å
109K91.9Very high94Very high111 Ų11172.2 Ų72.248%0.48335%0.349SS..Hα-helixtrans-67.9-40175.8-76.5-66.2-171.2179.90112.8Y105 R106 V107Y105-K109 HydrophobicContact CE1-CG 3.99Å; Y105-K109 HydrophobicContact CE2-CG 4.19Å; Y105-K109 PolarHBondContact O-N 3.39Å; Y105-K109 VanDerWaalsContact OH-CE 3.23Å; Y105-K109 WeakPolarHBondContact OH-CE 3.25Å; R106-K109 PolarHBondContact O-N 3.2Å; V107-K109 VanDerWaalsContact C-N 3.29Å; V107-K109 PolarHBondContact O-N 3.4Å
110K95.7Very high93Very high156 Ų15673.6 Ų73.668%0.67837%0.366SS*.Hα-helixtrans-74.6-33.1-178.7-172.6172.9178.7179.20112.9R106 V107R106-K110 WeakPolarHBondContact O-CB 3.35Å; R106-K110 PolarHBondContact O-N 3.2Å; V107-K110 PolarHBondContact O-N 3.3Å
111F94.8Very high92Very high64 Ų6469.2 Ų69.228%0.28134%0.342SS..SBendtrans-129.772.4-173.1-54.7-69000111.1W83 Y84 K87 I91 V107W83-F111 PolarHBondContact NE1-O 3.32Å; Y84-F111 WeakPolarHBondContact CE1-O 3.34Å; K87-F111 HydrophobicContact CD-CB 4.29Å; K87-F111 HydrophobicContact CD-CD2 4.34Å; K87-F111 HydrophobicContact CD-CG 4.24Å; K87-F111 HydrophobicContact CG-CB 4.41Å; I91-F111 HydrophobicContact CD1-CE2 4.39Å; V107-F111 HydrophobicContact CG1-CD2 4.11Å; V107-F111 PolarHBondContact O-N 3.34Å
112P93.8Very high90.8Very high66 Ų6670.2 Ų70.243%0.42933%0.333SS..PPolyproline II helixtrans-61.3157.3173.128.9-35.4000110.7W83 W118W83-P112 WeakPolarHBondContact CZ2-O 3.32Å; P112-W118 HydrophobicContact CB-CZ3 4.07Å
113P94.2Very high89.5Confident9 Ų970.1 Ų70.16%0.05833%0.333CS..PPolyproline II helixtrans-67.4151.9179.3-13.431.4000110.1Q80 Y84 I117 W118Q80-P113 HydrophobicContact CG-CB 4.07Å; Q80-P113 HydrophobicContact CG-CG 4.03Å; Y84-P113 HydrophobicContact CE2-CG 3.92Å; Y84-P113 VanDerWaalsContact OH-CD 3.25Å; Y84-P113 WeakPolarHBondContact OH-CD 3.31Å; Y84-P113 WeakPolarHBondContact OH-CG 3.16Å; P113-I117 HydrophobicContact CB-CD1 3.95Å; P113-I117 HydrophobicContact CB-CG1 3.83Å; P113-W118 HydrophobicContact CB-CB 3.99Å; P113-W118 HydrophobicContact CG-CB 4.44Å
114P94.8Very high88.3Confident17 Ų1772.2 Ų72.211%0.1134%0.344CS..PPolyproline II helixtrans-69.6159.1175.527.4-33.2000112.5L66 N67 W83 T116 I117 W118L66-P114 VanDerWaalsContact O-CG 3.31Å; L66-P114 WeakPolarHBondContact O-CG 3.48Å; N67-P114 VanDerWaalsContact OD1-CB 3.31Å; N67-P114 WeakPolarHBondContact OD1-CB 3.31Å; W83-P114 HydrophobicContact CE3-CG 4.2Å; W83-P114 HydrophobicContact CH2-CG 4.43Å; W83-P114 HydrophobicContact CZ3-CG 3.98Å; P114-T116 WeakPolarHBondContact CB-OG1 3.27Å; P114-T116 WeakPolarHBondContact CG-OG1 3.34Å; P114-T116 PolarHBondContact O-N 3.43Å; P114-T116 VanDerWaalsContact O-N 3.08Å; P114-I117 HydrophobicContact CG-CD1 4.14Å; P114-I117 HydrophobicContact CG-CG1 3.98Å; P114-I117 WeakPolarHBondContact O-CG1 3.16Å; P114-I117 PolarHBondContact O-N 3.41Å; P114-W118 PolarHBondContact O-N 3.2Å
115K92.1Very high86.9Confident195 Ų19576.7 Ų76.785%0.84836%0.361SS*.THydrogen-bonded Turntrans-60.4-20.6-177.4-67.2-175.8178.3-179.30114.3I117 W118K115-I117 VanDerWaalsContact C-N 3.28Å; K115-I117 PolarHBondContact O-N 3Å; K115-W118 CarbonylContact C-O 3.43Å; K115-W118 VanDerWaalsContact CA-O 3.3Å; K115-W118 WeakPolarHBondContact CA-O 3.34Å
116T93.7Very high85.7Confident28 Ų2882.9 Ų82.917%0.17239%0.385CS..THydrogen-bonded Turntrans-67.9-23.3175.838.10000113.9L66 N67 F69 F71 H76 P114L66-T116 WeakPolarHBondContact O-CB 3.42Å; L66-T116 PolarHBondContact O-OG1 3.18Å; N67-T116 VanDerWaalsContact O-CG2 3.26Å; N67-T116 WeakPolarHBondContact O-CG2 3.5Å; F69-T116 VanDerWaalsContact O-CB 3.28Å; F69-T116 WeakPolarHBondContact O-CB 3.36Å; F71-T116 PolarHBondContact N-O 2.8Å; F71-T116 VanDerWaalsContact N-O 3.12Å; H76-T116 PolarHBondContact NE2-O 2.98Å; P114-T116 WeakPolarHBondContact CB-OG1 3.27Å; P114-T116 WeakPolarHBondContact CG-OG1 3.34Å; P114-T116 PolarHBondContact O-N 3.43Å; P114-T116 VanDerWaalsContact O-N 3.08Å
117I93.5Very high84.5Confident0 Ų076.6 Ų76.60%036%0.362CS..SBendtrans-1266.7179.866.8176.8000112.4L66 F71 H76 M79 Q80 W83 P113 P114 K115L66-I117 HydrophobicContact CD2-CG2 4.43Å; F71-I117 HydrophobicContact CB-CG2 4.25Å; F71-I117 HydrophobicContact CD2-CG2 3.39Å; F71-I117 HydrophobicContact CE2-CG2 4.05Å; F71-I117 HydrophobicContact CG-CG2 4.09Å; H76-I117 WeakPolarHBondContact CB-O 3.34Å; H76-I117 VanDerWaalsContact CG-O 3.3Å; M79-I117 HydrophobicContact CB-CB 3.98Å; M79-I117 HydrophobicContact CB-CD1 4.17Å; M79-I117 HydrophobicContact CB-CG2 3.66Å; M79-I117 HydrophobicContact CG-CG2 4.29Å; Q80-I117 HydrophobicContact CG-CD1 4.37Å; Q80-I117 HydrophobicContact CG-CG1 4.27Å; Q80-I117 WeakPolarHBondContact CG-O 3.46Å; Q80-I117 PolarHBondContact NE2-O 3.05Å; W83-I117 HydrophobicContact CB-CD1 3.99Å; W83-I117 HydrophobicContact CG-CD1 4.49Å; P113-I117 HydrophobicContact CB-CD1 3.95Å; P113-I117 HydrophobicContact CB-CG1 3.83Å; P114-I117 HydrophobicContact CG-CD1 4.14Å; P114-I117 HydrophobicContact CG-CG1 3.98Å; P114-I117 WeakPolarHBondContact O-CG1 3.16Å; P114-I117 PolarHBondContact O-N 3.41Å; K115-I117 VanDerWaalsContact C-N 3.28Å; K115-I117 PolarHBondContact O-N 3Å
118W88.8Confident83.8Confident46 Ų4680.3 Ų80.317%0.17438%0.378CS..  trans-153.2134.6-177.5179.347.6000110.9P112 P113 P114 K115 G120 D121 Q122P112-W118 HydrophobicContact CB-CZ3 4.07Å; P113-W118 HydrophobicContact CB-CB 3.99Å; P113-W118 HydrophobicContact CG-CB 4.44Å; P114-W118 PolarHBondContact O-N 3.2Å; K115-W118 CarbonylContact C-O 3.43Å; K115-W118 VanDerWaalsContact CA-O 3.3Å; K115-W118 WeakPolarHBondContact CA-O 3.34Å; W118-G120 VanDerWaalsContact CE2-C 3.5Å; W118-G120 VanDerWaalsContact CE2-CA 3.49Å; W118-G120 WeakPolarHBondContact CZ2-O 3.24Å; W118-G120 PolarHBondContact O-N 3.03Å; W118-G120 VanDerWaalsContact O-N 3.16Å; W118-D121 PolarHBondContact NE1-O 3.4Å; W118-Q122 HydrophobicContact CH2-CG 3.8Å; W118-Q122 HydrophobicContact CZ2-CB 4.39Å; W118-Q122 HydrophobicContact CZ2-CG 3.76Å
119D80.8Confident83.2Confident79 Ų7977.1 Ų77.142%0.42237%0.369SS..  trans-73.2-0.3-179.661.1-6000114D121 K128D119-D121 PolarHBondContact O-N 2.94Å; D119-D121 WeakPolarHBondContact OD1-CB 3.36Å; D119-D121 PolarHBondContact OD1-N 3.44Å; D119-D121 VanDerWaalsContact OD1-N 3.09Å; D119-K128 IonicContact OD2-NZ 2.81Å; D119-K128 PolarHBondContact OD2-NZ 2.85Å
120G75.3Confident82.9Confident39 Ų3978.2 Ų78.240%0.40237%0.373SS..SBendtrans77.7-0.2-175.600000113.7W118 Q122W118-G120 VanDerWaalsContact CE2-C 3.5Å; W118-G120 VanDerWaalsContact CE2-CA 3.49Å; W118-G120 WeakPolarHBondContact CZ2-O 3.24Å; W118-G120 PolarHBondContact O-N 3.03Å; W118-G120 VanDerWaalsContact O-N 3.16Å; G120-Q122 PolarHBondContact O-N 2.99Å
121D74.6Confident82.6Confident10 Ų1071.5 Ų71.55%0.05335%0.346CS..  trans-82.4108.1179.9-155.7-10.7000109W118 D119 V123 K128 D129 K130W118-D121 PolarHBondContact NE1-O 3.4Å; D119-D121 PolarHBondContact O-N 2.94Å; D119-D121 WeakPolarHBondContact OD1-CB 3.36Å; D119-D121 PolarHBondContact OD1-N 3.44Å; D119-D121 VanDerWaalsContact OD1-N 3.09Å; D121-V123 PolarHBondContact O-N 2.97Å; D121-K128 HydrophobicContact CB-CD 4.44Å; D121-K128 WeakPolarHBondContact OD2-CB 3.18Å; D121-K128 WeakPolarHBondContact OD2-CD 3.2Å; D121-D129 PolarHBondContact OD1-N 3Å; D121-K130 PolarHBondContact OD1-N 3.26Å; D121-K130 WeakPolarHBondContact OD2-CB 3.48Å; D121-K130 WeakPolarHBondContact OD2-CD 3.23Å; D121-K130 WeakPolarHBondContact OD2-CG 3.32Å
122Q70.3Confident82.3Confident99 Ų9970.8 Ų70.846%0.46334%0.342SS..  trans-68.2134-178.6-71.6-179.456.400109.5W118 G120 D129W118-Q122 HydrophobicContact CH2-CG 3.8Å; W118-Q122 HydrophobicContact CZ2-CB 4.39Å; W118-Q122 HydrophobicContact CZ2-CG 3.76Å; G120-Q122 PolarHBondContact O-N 2.99Å; Q122-D129 WeakPolarHBondContact CB-OD2 3.44Å; Q122-D129 PolarHBondContact O-N 2.88Å
123V68.9Low82.2Confident83 Ų8372.3 Ų72.350%0.50335%0.346SS..EExtended strand (participates in β ladder)trans-106.4103.9175.6-178.30000108.2D121 F127 K128D121-V123 PolarHBondContact O-N 2.97Å; V123-F127 WeakPolarHBondContact CA-O 3.21Å; V123-K128 HydrophobicContact CG2-CG 4.05Å
124T71Confident82.2Confident57 Ų5772.8 Ų72.835%0.3535%0.347SS..EExtended strand (participates in β ladder)trans-95.1138.5164-47.50000107.5Y126 F127 R132T124-Y126 PolarHBondContact O-N 3.18Å; T124-F127 PolarHBondContact N-O 2.78Å; T124-F127 PolarHBondContact O-N 3.4Å; T124-F127 VanDerWaalsContact O-O 3.14Å; T124-R132 VanDerWaalsContact CB-NH1 3.26Å; T124-R132 PolarHBondContact O-NH1 3.12Å; T124-R132 PolarHBondContact O-NH2 3.27Å
125Y68.4Low82.2Confident166 Ų16672 Ų7265%0.65134%0.342SS*.THydrogen-bonded Turntrans41.741.8178.3-55.1-70.9000115.8F127Y125-F127 WeakPolarHBondContact O-CD2 3.44Å; Y125-F127 PolarHBondContact O-N 2.96Å; Y125-F127 VanDerWaalsContact O-N 3.15Å
126Y70.6Confident82.3Confident219 Ų21964.8 Ų64.886%0.85932%0.319SS*.THydrogen-bonded Turntrans657.5-177.5-51.9-85.4000116.8T124T124-Y126 PolarHBondContact O-N 3.18Å
127F70.3Confident82.4Confident42 Ų4268.9 Ų68.918%0.18434%0.336CS..EExtended strand (participates in β ladder)trans-101129.5169.3-63.1-92.4000110V123 T124 Y125 R132 L159 Q163V123-F127 WeakPolarHBondContact CA-O 3.21Å; T124-F127 PolarHBondContact N-O 2.78Å; T124-F127 PolarHBondContact O-N 3.4Å; T124-F127 VanDerWaalsContact O-O 3.14Å; Y125-F127 WeakPolarHBondContact O-CD2 3.44Å; Y125-F127 PolarHBondContact O-N 2.96Å; Y125-F127 VanDerWaalsContact O-N 3.15Å; F127-R132 HydrophobicContact CB-CG 4.13Å; F127-R132 PolarHBondContact O-NH1 3.27Å; F127-L159 HydrophobicContact CD1-CD1 3.77Å; F127-L159 HydrophobicContact CD1-CD2 3.61Å; F127-L159 HydrophobicContact CD1-CG 4.35Å; F127-L159 HydrophobicContact CE1-CD1 3.77Å; F127-L159 HydrophobicContact CE1-CD2 3.73Å; F127-L159 HydrophobicContact CE1-CG 4.37Å; F127-Q163 HydrophobicContact CE1-CB 4.23Å; F127-Q163 HydrophobicContact CZ-CB 4.37Å; F127-Q163 HydrophobicContact CZ-CG 4.39Å
128K80.3Confident82.5Confident89 Ų8971.1 Ų71.139%0.38735%0.346SS..EExtended strand (participates in β ladder)trans-63.9143.2164.5-73.8-170.4174.5-152.60110.4D119 D121 V123 K130 S131 R132D119-K128 IonicContact OD2-NZ 2.81Å; D119-K128 PolarHBondContact OD2-NZ 2.85Å; D121-K128 HydrophobicContact CB-CD 4.44Å; D121-K128 WeakPolarHBondContact OD2-CB 3.18Å; D121-K128 WeakPolarHBondContact OD2-CD 3.2Å; V123-K128 HydrophobicContact CG2-CG 4.05Å; K128-K130 VanDerWaalsContact C-N 3.27Å; K128-K130 PolarHBondContact O-N 3.11Å; K128-S131 PolarHBondContact O-N 3.36Å; K128-S131 VanDerWaalsContact O-N 3.14Å; K128-R132 PolarHBondContact O-N 3.16Å
129D82.8Confident82.9Confident44 Ų4469.7 Ų69.724%0.23534%0.342CS..Hα-helixtrans-65.9-32179.6-79.6-6.2000111.7D121 Q122 S131 R132 N133D121-D129 PolarHBondContact OD1-N 3Å; Q122-D129 WeakPolarHBondContact CB-OD2 3.44Å; Q122-D129 PolarHBondContact O-N 2.88Å; D129-S131 VanDerWaalsContact C-N 3.34Å; D129-S131 PolarHBondContact O-N 2.77Å; D129-R132 WeakPolarHBondContact O-CB 3.45Å; D129-R132 PolarHBondContact O-N 2.86Å; D129-R132 IonicContact OD1-CZ 3.95Å; D129-R132 IonicContact OD1-NH1 2.95Å; D129-R132 PolarHBondContact OD1-NH1 2.56Å; D129-N133 WeakPolarHBondContact O-CB 3.41Å; D129-N133 PolarHBondContact O-N 2.92Å; D129-N133 PolarHBondContact O-ND2 2.84Å
130K86.1Confident83.5Confident134 Ų13471.8 Ų71.858%0.58336%0.357SS*.Hα-helixtrans-56.8-46.2170-69.9179.2-167.4166.20112.6D121 K128 R132 N133 Y134D121-K130 PolarHBondContact OD1-N 3.26Å; D121-K130 WeakPolarHBondContact OD2-CB 3.48Å; D121-K130 WeakPolarHBondContact OD2-CD 3.23Å; D121-K130 WeakPolarHBondContact OD2-CG 3.32Å; K128-K130 VanDerWaalsContact C-N 3.27Å; K128-K130 PolarHBondContact O-N 3.11Å; K130-R132 VanDerWaalsContact C-N 3.33Å; K130-R132 PolarHBondContact O-N 3.42Å; K130-N133 PolarHBondContact O-N 2.89Å; K130-Y134 WeakPolarHBondContact O-CB 3.44Å; K130-Y134 PolarHBondContact O-N 3.45Å
131S89.5Confident84.5Confident16 Ų1677.2 Ų77.211%0.11237%0.371CS..Hα-helixtrans-65.4-38.2177.9-54.40000111.3K128 D129 L135 S157K128-S131 PolarHBondContact O-N 3.36Å; K128-S131 VanDerWaalsContact O-N 3.14Å; D129-S131 VanDerWaalsContact C-N 3.34Å; D129-S131 PolarHBondContact O-N 2.77Å; S131-L135 WeakPolarHBondContact O-CG 3.42Å; S131-L135 PolarHBondContact O-N 3.19Å; S131-L135 VanDerWaalsContact O-N 3.1Å; S131-S157 PolarHBondContact OG-O 3.43Å
132R89.2Confident85.4Confident49 Ų4979.3 Ų79.319%0.18538%0.382CS..Hα-helixtrans-62.5-50.7174-73.9-171.8168.884.118.4112.6T124 F127 K128 D129 K130 Y134 L135 A136T124-R132 VanDerWaalsContact CB-NH1 3.26Å; T124-R132 PolarHBondContact O-NH1 3.12Å; T124-R132 PolarHBondContact O-NH2 3.27Å; F127-R132 HydrophobicContact CB-CG 4.13Å; F127-R132 PolarHBondContact O-NH1 3.27Å; K128-R132 PolarHBondContact O-N 3.16Å; D129-R132 WeakPolarHBondContact O-CB 3.45Å; D129-R132 PolarHBondContact O-N 2.86Å; D129-R132 IonicContact OD1-CZ 3.95Å; D129-R132 IonicContact OD1-NH1 2.95Å; D129-R132 PolarHBondContact OD1-NH1 2.56Å; K130-R132 VanDerWaalsContact C-N 3.33Å; K130-R132 PolarHBondContact O-N 3.42Å; R132-Y134 VanDerWaalsContact C-N 3.29Å; R132-Y134 PolarHBondContact O-N 3.42Å; R132-L135 PolarHBondContact O-N 3.28Å; R132-L135 VanDerWaalsContact O-N 3.12Å; R132-A136 PolarHBondContact O-N 2.84Å
133N90.8Very high86.6Confident97 Ų9776.3 Ų76.352%0.51937%0.373SS..Hα-helixtrans-60.9-43.9-177-68.3-17000110.1D129 K130 L135 A136 E137D129-N133 WeakPolarHBondContact O-CB 3.41Å; D129-N133 PolarHBondContact O-N 2.92Å; D129-N133 PolarHBondContact O-ND2 2.84Å; K130-N133 PolarHBondContact O-N 2.89Å; N133-L135 PolarHBondContact O-N 3.15Å; N133-A136 WeakPolarHBondContact O-CB 3.4Å; N133-A136 PolarHBondContact O-N 3.43Å; N133-A136 VanDerWaalsContact O-N 3.15Å; N133-E137 WeakPolarHBondContact O-CG 3.35Å; N133-E137 PolarHBondContact O-N 3.35Å
134Y94.2Very high88Confident20 Ų2079.6 Ų79.68%0.07838%0.377CS..Hα-helixtrans-57.6-46.8173.3173.8-105.5000112.5K130 R132 A136 E137 Q138 M153 K156K130-Y134 WeakPolarHBondContact O-CB 3.44Å; K130-Y134 PolarHBondContact O-N 3.45Å; R132-Y134 VanDerWaalsContact C-N 3.29Å; R132-Y134 PolarHBondContact O-N 3.42Å; Y134-A136 VanDerWaalsContact C-N 3.32Å; Y134-A136 PolarHBondContact O-N 3.41Å; Y134-E137 PolarHBondContact O-N 3.23Å; Y134-Q138 HydrophobicContact CD1-CG 4.45Å; Y134-Q138 HydrophobicContact CD2-CG 4.32Å; Y134-Q138 HydrophobicContact CE1-CG 3.99Å; Y134-Q138 HydrophobicContact CE2-CG 3.82Å; Y134-Q138 VanDerWaalsContact O-CG 3.29Å; Y134-Q138 WeakPolarHBondContact O-CG 3.41Å; Y134-Q138 PolarHBondContact O-N 3.14Å; Y134-M153 HydrophobicContact CE1-CB 4.05Å; Y134-M153 HydrophobicContact CE1-CG 4.16Å; Y134-K156 HydrophobicContact CD2-CD 4.46Å; Y134-K156 HydrophobicContact CE1-CB 4.15Å; Y134-K156 HydrophobicContact CE1-CD 4.5Å; Y134-K156 HydrophobicContact CE1-CG 4.31Å; Y134-K156 HydrophobicContact CE2-CD 3.65Å; Y134-K156 HydrophobicContact CE2-CG 4.18Å
135L95.2Very high89.2Confident0 Ų077.4 Ų77.40%036%0.364CS..Hα-helixtrans-64.9-35.5176.7-68.6178.5000112.5S131 R132 N133 Q138 F139 M153 L159 V164 W167 F168S131-L135 WeakPolarHBondContact O-CG 3.42Å; S131-L135 PolarHBondContact O-N 3.19Å; S131-L135 VanDerWaalsContact O-N 3.1Å; R132-L135 PolarHBondContact O-N 3.28Å; R132-L135 VanDerWaalsContact O-N 3.12Å; N133-L135 PolarHBondContact O-N 3.15Å; L135-Q138 PolarHBondContact O-N 3.5Å; L135-F139 WeakPolarHBondContact O-CB 3.33Å; L135-F139 PolarHBondContact O-N 2.95Å; L135-M153 HydrophobicContact CD2-CB 4.25Å; L135-M153 HydrophobicContact CD2-SD 4.48Å; L135-L159 HydrophobicContact CD1-CD1 3.7Å; L135-V164 HydrophobicContact CD2-CG1 4.04Å; L135-V164 HydrophobicContact CD2-CG2 4.22Å; L135-W167 VanDerWaalsContact C-CH2 3.49Å; L135-W167 HydrophobicContact CB-CD2 3.88Å; L135-W167 HydrophobicContact CB-CE3 3.89Å; L135-W167 HydrophobicContact CB-CH2 3.9Å; L135-W167 HydrophobicContact CB-CZ2 3.83Å; L135-W167 HydrophobicContact CB-CZ3 3.91Å; L135-W167 HydrophobicContact CD1-CB 4.13Å; L135-W167 HydrophobicContact CD1-CD2 3.77Å; L135-W167 HydrophobicContact CD1-CE3 4.27Å; L135-W167 HydrophobicContact CD1-CG 3.66Å; L135-W167 HydrophobicContact CG-CD2 4.45Å; L135-W167 WeakPolarHBondContact O-CH2 3.29Å; L135-F168 HydrophobicContact CD2-CE2 4.06Å
136A94Very high90.5Very high44 Ų4472 Ų7236%0.36435%0.351SS..Hα-helixtrans-63.7-44.8174.700000111.9R132 N133 Y134 F139 V140 W167R132-A136 PolarHBondContact O-N 2.84Å; N133-A136 WeakPolarHBondContact O-CB 3.4Å; N133-A136 PolarHBondContact O-N 3.43Å; N133-A136 VanDerWaalsContact O-N 3.15Å; Y134-A136 VanDerWaalsContact C-N 3.32Å; Y134-A136 PolarHBondContact O-N 3.41Å; A136-F139 WeakPolarHBondContact O-CB 3.43Å; A136-F139 PolarHBondContact O-N 3.25Å; A136-V140 WeakPolarHBondContact O-CG2 3.47Å; A136-V140 PolarHBondContact O-N 2.77Å; A136-W167 HydrophobicContact CB-CH2 4.45Å; A136-W167 HydrophobicContact CB-CZ2 4.48Å
137E95.5Very high91.7Very high114 Ų11467.3 Ų67.353%0.53334%0.339SS..Hα-helixtrans-59-48.2173.2-70.6168.3-170.600111.2N133 Y134 F139 V140 H141N133-E137 WeakPolarHBondContact O-CG 3.35Å; N133-E137 PolarHBondContact O-N 3.35Å; Y134-E137 PolarHBondContact O-N 3.23Å; E137-F139 VanDerWaalsContact C-N 3.28Å; E137-F139 PolarHBondContact O-N 3.17Å; E137-V140 PolarHBondContact O-N 2.84Å; E137-H141 PolarHBondContact O-CD2 3.48Å; E137-H141 PolarHBondContact O-N 3.03Å
138Q96.1Very high93Very high46 Ų4670.7 Ų70.722%0.21536%0.363CS..Hα-helixtrans-61.9-35.2177.9-68.6-55.7-73.300112.9Y134 L135 H141 N142 M153 F168Y134-Q138 HydrophobicContact CD1-CG 4.45Å; Y134-Q138 HydrophobicContact CD2-CG 4.32Å; Y134-Q138 HydrophobicContact CE1-CG 3.99Å; Y134-Q138 HydrophobicContact CE2-CG 3.82Å; Y134-Q138 VanDerWaalsContact O-CG 3.29Å; Y134-Q138 WeakPolarHBondContact O-CG 3.41Å; Y134-Q138 PolarHBondContact O-N 3.14Å; L135-Q138 PolarHBondContact O-N 3.5Å; Q138-H141 PolarHBondContact O-N 2.77Å; Q138-N142 PolarHBondContact O-N 3Å; Q138-M153 HydrophobicContact CB-CE 3.62Å; Q138-M153 HydrophobicContact CB-SD 4.01Å; Q138-M153 HydrophobicContact CG-CE 3.92Å; Q138-M153 HydrophobicContact CG-CG 4.15Å; Q138-M153 HydrophobicContact CG-SD 4.22Å; Q138-F168 HydrophobicContact CB-CZ 4.26Å
139F96.5Very high93.8Very high17 Ų1770 Ų708%0.07536%0.361CS..Hα-helixtrans-65.9-37.6178.6-174.9-91.9000113.2L135 A136 E137 H141 N142 S143 W167 F168 R171 R172 D175L135-F139 WeakPolarHBondContact O-CB 3.33Å; L135-F139 PolarHBondContact O-N 2.95Å; A136-F139 WeakPolarHBondContact O-CB 3.43Å; A136-F139 PolarHBondContact O-N 3.25Å; E137-F139 VanDerWaalsContact C-N 3.28Å; E137-F139 PolarHBondContact O-N 3.17Å; F139-H141 VanDerWaalsContact C-N 3.28Å; F139-N142 CarbonylContact O-C 3.45Å; F139-S143 PolarHBondContact O-N 3.07Å; F139-S143 PolarHBondContact O-OG 3.49Å; F139-S143 VanDerWaalsContact O-OG 3.13Å; F139-W167 HydrophobicContact CB-CH2 3.97Å; F139-W167 HydrophobicContact CB-CZ3 3.86Å; F139-W167 AromaticContact CD2-CZ3 3.97Å; F139-W167 HydrophobicContact CD2-CZ3 3.97Å; F139-W167 HydrophobicContact CG-CH2 4.39Å; F139-W167 HydrophobicContact CG-CZ3 4.18Å; F139-F168 HydrophobicContact CB-CE1 4.11Å; F139-F168 AromaticContact CD2-CD1 3.6Å; F139-F168 HydrophobicContact CD2-CD1 3.6Å; F139-F168 AromaticContact CD2-CE1 3.71Å; F139-F168 HydrophobicContact CD2-CE1 3.71Å; F139-F168 HydrophobicContact CE2-CD1 4.22Å; F139-F168 HydrophobicContact CG-CE1 4.38Å; F139-R171 HydrophobicContact CD1-CG 4.1Å; F139-R171 HydrophobicContact CD2-CB 4.24Å; F139-R171 HydrophobicContact CD2-CG 3.91Å; F139-R171 HydrophobicContact CE1-CG 3.88Å; F139-R171 HydrophobicContact CE2-CB 3.93Å; F139-R171 HydrophobicContact CE2-CG 3.68Å; F139-R171 HydrophobicContact CG-CG 4.12Å; F139-R171 HydrophobicContact CZ-CB 4.31Å; F139-R171 HydrophobicContact CZ-CG 3.66Å; F139-R172 HydrophobicContact CE2-CG 3.78Å; F139-R172 HydrophobicContact CZ-CG 4Å; F139-D175 WeakPolarHBondContact CE1-OD2 3.47Å; F139-D175 VanDerWaalsContact CZ-OD2 3.31Å; F139-D175 WeakPolarHBondContact CZ-OD2 3.43Å
140V94.7Very high94.4Very high123 Ų12369.6 Ų69.675%0.74536%0.357SS*.Hα-helixtrans-64.1-37.1175.4174.40000110.6A136 E137A136-V140 WeakPolarHBondContact O-CG2 3.47Å; A136-V140 PolarHBondContact O-N 2.77Å; E137-V140 PolarHBondContact O-N 2.84Å
141H94.3Very high95Very high152 Ų15269.5 Ų69.570%0.70436%0.357SS*.Hα-helixtrans-71.1-46.7175.7-67.6-61.1000113E137 Q138 F139E137-H141 PolarHBondContact O-CD2 3.48Å; E137-H141 PolarHBondContact O-N 3.03Å; Q138-H141 PolarHBondContact O-N 2.77Å; F139-H141 VanDerWaalsContact C-N 3.28Å
142N94.6Very high95.3Very high54 Ų5474.7 Ų74.729%0.28938%0.377SS..  trans-151.3107.4-179.2-179.55.4000110.8Q138 F139 Y144 E149 F168Q138-N142 PolarHBondContact O-N 3Å; F139-N142 CarbonylContact O-C 3.45Å; N142-Y144 PolarHBondContact ND2-O 2.64Å; N142-Y144 PolarHBondContact O-N 3.02Å; N142-Y144 VanDerWaalsContact OD1-C 3.24Å; N142-Y144 PolarHBondContact OD1-N 3.25Å; N142-Y144 PolarHBondContact OD1-O 3.09Å; N142-E149 PolarHBondContact ND2-OE1 2.85Å; N142-F168 WeakPolarHBondContact O-CE1 3.48Å
143S96.2Very high95.7Very high37 Ų3772.5 Ų72.526%0.25937%0.369SS..SBendtrans-75-8.7179.5-46.80000114.3F139 R172F139-S143 PolarHBondContact O-N 3.07Å; F139-S143 PolarHBondContact O-OG 3.49Å; F139-S143 VanDerWaalsContact O-OG 3.13Å; S143-R172 PolarHBondContact O-NH1 3.48Å
144Y97.4Very high95.9Very high152 Ų15268.3 Ų68.360%0.59635%0.348SS*.SBendtrans-129.466.1179.4-64-88.1000111.1N142 R172N142-Y144 PolarHBondContact ND2-O 2.64Å; N142-Y144 PolarHBondContact O-N 3.02Å; N142-Y144 VanDerWaalsContact OD1-C 3.24Å; N142-Y144 PolarHBondContact OD1-N 3.25Å; N142-Y144 PolarHBondContact OD1-O 3.09Å; Y144-R172 VanDerWaalsContact CZ-CD 3.41Å
145P96.5Very high95.9Very high10 Ų1076.2 Ų76.27%0.06538%0.383CS..  trans-66.2141.1-179.228.8-36000111.6E149 K150 M153 F168P145-E149 HydrophobicContact CB-CB 3.86Å; P145-K150 HydrophobicContact CB-CG 4.13Å; P145-K150 HydrophobicContact CG-CG 3.88Å; P145-K150 VanDerWaalsContact O-CE 3.32Å; P145-K150 WeakPolarHBondContact O-CE 3.46Å; P145-M153 HydrophobicContact CB-CE 3.9Å; P145-M153 HydrophobicContact CB-SD 4.47Å; P145-M153 HydrophobicContact CG-CE 4.44Å; P145-F168 VanDerWaalsContact CD-CD1 3.42Å; P145-F168 HydrophobicContact CG-CD1 3.65Å; P145-F168 HydrophobicContact CG-CD2 4.17Å; P145-F168 HydrophobicContact CG-CE1 3.57Å; P145-F168 HydrophobicContact CG-CE2 4.09Å; P145-F168 HydrophobicContact CG-CG 3.98Å; P145-F168 HydrophobicContact CG-CZ 3.8Å
146S96.4Very high95.9Very high54 Ų5482.7 Ų82.738%0.37841%0.411SS..  trans-62.4166.6169.467.90000111.8V148 E149 K150S146-V148 PolarHBondContact O-N 3.41Å; S146-E149 VanDerWaalsContact CB-OE2 3.23Å; S146-E149 WeakPolarHBondContact CB-OE2 3.28Å; S146-E149 PolarHBondContact N-OE2 3.12Å; S146-E149 PolarHBondContact O-N 3.36Å; S146-E149 WeakPolarHBondContact OG-CG 3.15Å; S146-E149 PolarHBondContact OG-N 3.26Å; S146-E149 PolarHBondContact OG-OE2 3.43Å; S146-K150 WeakPolarHBondContact O-CG 3.45Å; S146-K150 PolarHBondContact O-N 2.64Å
147I95.8Very high95.8Very high119 Ų11981.2 Ų81.261%0.6140%0.398SS*.Hα-helixtrans-59.9-36.3177-62.7164.4000111K150 K151 I161I147-K150 PolarHBondContact O-N 2.87Å; I147-K151 WeakPolarHBondContact O-CG 3.29Å; I147-K151 PolarHBondContact O-N 3.09Å; I147-I161 HydrophobicContact CG2-CD1 4.35Å
148V96.4Very high95.6Very high114 Ų11479.1 Ų79.169%0.69141%0.407SS*.Hα-helixtrans-66.9-47.2179178.90000110.7S146 K150 K151 F152S146-V148 PolarHBondContact O-N 3.41Å; V148-K150 PolarHBondContact O-N 2.97Å; V148-K151 WeakPolarHBondContact O-CB 3.32Å; V148-K151 PolarHBondContact O-N 3.29Å; V148-F152 PolarHBondContact O-N 3.35Å
149E96.7Very high95.5Very high73 Ų7378 Ų7834%0.34140%0.402SS..Hα-helixtrans-61.4-43.4175.8-72.3164.2114.300111.3N142 P145 S146 K151 F152 M153N142-E149 PolarHBondContact ND2-OE1 2.85Å; P145-E149 HydrophobicContact CB-CB 3.86Å; S146-E149 VanDerWaalsContact CB-OE2 3.23Å; S146-E149 WeakPolarHBondContact CB-OE2 3.28Å; S146-E149 PolarHBondContact N-OE2 3.12Å; S146-E149 PolarHBondContact O-N 3.36Å; S146-E149 WeakPolarHBondContact OG-CG 3.15Å; S146-E149 PolarHBondContact OG-N 3.26Å; S146-E149 PolarHBondContact OG-OE2 3.43Å; E149-K151 VanDerWaalsContact C-N 3.33Å; E149-K151 PolarHBondContact O-N 3.21Å; E149-F152 WeakPolarHBondContact O-CB 3.36Å; E149-F152 PolarHBondContact O-N 3.34Å; E149-F152 VanDerWaalsContact O-N 3.13Å; E149-M153 HydrophobicContact CB-CE 4.26Å; E149-M153 VanDerWaalsContact O-CG 3.28Å; E149-M153 WeakPolarHBondContact O-CG 3.41Å; E149-M153 PolarHBondContact O-N 2.99Å
150K97Very high95.3Very high36 Ų3680.7 Ų80.716%0.15742%0.421CS..Hα-helixtrans-60.4-40.5175.8-71.4178-175.2178.80112.6P145 S146 I147 V148 F152 M153 A154 I161 V164 S165P145-K150 HydrophobicContact CB-CG 4.13Å; P145-K150 HydrophobicContact CG-CG 3.88Å; P145-K150 VanDerWaalsContact O-CE 3.32Å; P145-K150 WeakPolarHBondContact O-CE 3.46Å; S146-K150 WeakPolarHBondContact O-CG 3.45Å; S146-K150 PolarHBondContact O-N 2.64Å; I147-K150 PolarHBondContact O-N 2.87Å; V148-K150 PolarHBondContact O-N 2.97Å; K150-F152 VanDerWaalsContact C-N 3.34Å; K150-M153 PolarHBondContact O-N 2.9Å; K150-A154 VanDerWaalsContact O-CB 3.26Å; K150-A154 WeakPolarHBondContact O-CB 3.44Å; K150-A154 PolarHBondContact O-N 3.15Å; K150-I161 HydrophobicContact CB-CG1 4.08Å; K150-V164 HydrophobicContact CB-CG1 4.36Å; K150-V164 HydrophobicContact CG-CG1 4.29Å; K150-S165 PolarHBondContact NZ-OG 3.3Å
151K97Very high95.3Very high132 Ų13278 Ų7857%0.57440%0.401SS*.Hα-helixtrans-61.5-43174.3-77.8-179179.1-1770111.3I147 V148 E149 K155 I161I147-K151 WeakPolarHBondContact O-CG 3.29Å; I147-K151 PolarHBondContact O-N 3.09Å; V148-K151 WeakPolarHBondContact O-CB 3.32Å; V148-K151 PolarHBondContact O-N 3.29Å; E149-K151 VanDerWaalsContact C-N 3.33Å; E149-K151 PolarHBondContact O-N 3.21Å; K151-K155 PolarHBondContact O-N 3.49Å; K151-K155 VanDerWaalsContact O-N 3.09Å; K151-I161 HydrophobicContact CG-CD1 3.56Å; K151-I161 HydrophobicContact CG-CG1 4.46Å
152F96.8Very high95.4Very high125 Ų12574.8 Ų74.855%0.54839%0.392SS..Hα-helixtrans-63.8-45.5176.7-177.4-97.5000111.8V148 E149 K150 K155 K156V148-F152 PolarHBondContact O-N 3.35Å; E149-F152 WeakPolarHBondContact O-CB 3.36Å; E149-F152 PolarHBondContact O-N 3.34Å; E149-F152 VanDerWaalsContact O-N 3.13Å; K150-F152 VanDerWaalsContact C-N 3.34Å; F152-K155 PolarHBondContact O-N 3.41Å; F152-K156 HydrophobicContact CE1-CD 4.22Å; F152-K156 HydrophobicContact CZ-CD 4.48Å; F152-K156 PolarHBondContact O-N 3.48Å
153M96.7Very high95.3Very high3 Ų375.6 Ų75.62%0.01539%0.394CS..Hα-helixtrans-59.9-47.6176.6-67.8174.3-168.900111.7Y134 L135 Q138 P145 E149 K150 K155 K156 S157 V164 F168Y134-M153 HydrophobicContact CE1-CB 4.05Å; Y134-M153 HydrophobicContact CE1-CG 4.16Å; L135-M153 HydrophobicContact CD2-CB 4.25Å; L135-M153 HydrophobicContact CD2-SD 4.48Å; Q138-M153 HydrophobicContact CB-CE 3.62Å; Q138-M153 HydrophobicContact CB-SD 4.01Å; Q138-M153 HydrophobicContact CG-CE 3.92Å; Q138-M153 HydrophobicContact CG-CG 4.15Å; Q138-M153 HydrophobicContact CG-SD 4.22Å; P145-M153 HydrophobicContact CB-CE 3.9Å; P145-M153 HydrophobicContact CB-SD 4.47Å; P145-M153 HydrophobicContact CG-CE 4.44Å; E149-M153 HydrophobicContact CB-CE 4.26Å; E149-M153 VanDerWaalsContact O-CG 3.28Å; E149-M153 WeakPolarHBondContact O-CG 3.41Å; E149-M153 PolarHBondContact O-N 2.99Å; K150-M153 PolarHBondContact O-N 2.9Å; M153-K155 VanDerWaalsContact C-N 3.34Å; M153-K155 PolarHBondContact O-N 3.45Å; M153-K156 PolarHBondContact O-N 3.1Å; M153-S157 WeakPolarHBondContact O-CB 3.24Å; M153-S157 PolarHBondContact O-N 3.17Å; M153-S157 PolarHBondContact O-OG 2.84Å; M153-V164 HydrophobicContact CB-CG1 4.1Å; M153-V164 HydrophobicContact SD-CG1 4.3Å; M153-F168 HydrophobicContact CE-CZ 4.01Å; M153-F168 HydrophobicContact SD-CE2 3.53Å; M153-F168 VanDerWaalsContact SD-CE2 3.53Å; M153-F168 HydrophobicContact SD-CZ 3.59Å; M153-F168 VanDerWaalsContact SD-CZ 3.59Å
154A95.9Very high95.3Very high10 Ų1073.8 Ų73.88%0.08338%0.382CS..Hα-helixtrans-54.5-48.4176.800000111.9K150 K156 S157 G158 L159 V164K150-A154 VanDerWaalsContact O-CB 3.26Å; K150-A154 WeakPolarHBondContact O-CB 3.44Å; K150-A154 PolarHBondContact O-N 3.15Å; A154-K156 PolarHBondContact O-N 3.41Å; A154-S157 PolarHBondContact O-OG 3.41Å; A154-G158 PolarHBondContact O-N 3.13Å; A154-L159 CarbonylContact C-O 3.41Å; A154-L159 WeakPolarHBondContact CA-O 3.34Å; A154-L159 VanDerWaalsContact CB-O 3.24Å; A154-L159 WeakPolarHBondContact CB-O 3.26Å; A154-L159 PolarHBondContact O-N 2.95Å; A154-V164 HydrophobicContact CB-CG2 4Å
155K95.3Very high95.2Very high186 Ų18668.5 Ų68.581%0.80937%0.367SS*.Hα-helixtrans-60.4-45.2176.7-174.3178.8-179.6179.80112K151 F152 M153K151-K155 PolarHBondContact O-N 3.49Å; K151-K155 VanDerWaalsContact O-N 3.09Å; F152-K155 PolarHBondContact O-N 3.41Å; M153-K155 VanDerWaalsContact C-N 3.34Å; M153-K155 PolarHBondContact O-N 3.45Å
156K94.4Very high95.1Very high136 Ų13671.1 Ų71.159%0.59138%0.381SS*.Hα-helixtrans-73.4-34-177-173.8163.6171.2-1740112.9Y134 F152 M153 A154Y134-K156 HydrophobicContact CD2-CD 4.46Å; Y134-K156 HydrophobicContact CE1-CB 4.15Å; Y134-K156 HydrophobicContact CE1-CD 4.5Å; Y134-K156 HydrophobicContact CE1-CG 4.31Å; Y134-K156 HydrophobicContact CE2-CD 3.65Å; Y134-K156 HydrophobicContact CE2-CG 4.18Å; F152-K156 HydrophobicContact CE1-CD 4.22Å; F152-K156 HydrophobicContact CZ-CD 4.48Å; F152-K156 PolarHBondContact O-N 3.48Å; M153-K156 PolarHBondContact O-N 3.1Å; A154-K156 PolarHBondContact O-N 3.41Å
157S92.3Very high95.1Very high12 Ų1270.7 Ų70.78%0.08437%0.371CS..Hα-helixtrans-89-9.2-178.569.90000114.2S131 M153 A154 L159S131-S157 PolarHBondContact OG-O 3.43Å; M153-S157 WeakPolarHBondContact O-CB 3.24Å; M153-S157 PolarHBondContact O-N 3.17Å; M153-S157 PolarHBondContact O-OG 2.84Å; A154-S157 PolarHBondContact O-OG 3.41Å; S157-L159 VanDerWaalsContact C-N 3.31Å; S157-L159 WeakPolarHBondContact OG-CB 3.4Å; S157-L159 WeakPolarHBondContact OG-CD1 3.41Å; S157-L159 WeakPolarHBondContact OG-CG 3.34Å; S157-L159 PolarHBondContact OG-N 3.34Å
158G91.4Very high95.1Very high70 Ų7065 Ų6572%0.72234%0.342SS*.THydrogen-bonded Turntrans69.326.4-173.300000113.9A154A154-G158 PolarHBondContact O-N 3.13Å
159L92.2Very high95.1Very high22 Ų2264 Ų6412%0.11533%0.328CS..  trans-110.1162.6-178.8-62173.4000110.4F127 L135 A154 S157 Q163 V164F127-L159 HydrophobicContact CD1-CD1 3.77Å; F127-L159 HydrophobicContact CD1-CD2 3.61Å; F127-L159 HydrophobicContact CD1-CG 4.35Å; F127-L159 HydrophobicContact CE1-CD1 3.77Å; F127-L159 HydrophobicContact CE1-CD2 3.73Å; F127-L159 HydrophobicContact CE1-CG 4.37Å; L135-L159 HydrophobicContact CD1-CD1 3.7Å; A154-L159 CarbonylContact C-O 3.41Å; A154-L159 WeakPolarHBondContact CA-O 3.34Å; A154-L159 VanDerWaalsContact CB-O 3.24Å; A154-L159 WeakPolarHBondContact CB-O 3.26Å; A154-L159 PolarHBondContact O-N 2.95Å; S157-L159 VanDerWaalsContact C-N 3.31Å; S157-L159 WeakPolarHBondContact OG-CB 3.4Å; S157-L159 WeakPolarHBondContact OG-CD1 3.41Å; S157-L159 WeakPolarHBondContact OG-CG 3.34Å; S157-L159 PolarHBondContact OG-N 3.34Å; L159-Q163 HydrophobicContact CB-CB 4.27Å; L159-V164 HydrophobicContact CB-CG2 4.05Å; L159-V164 HydrophobicContact CD1-CG2 4.41Å
160T93.5Very high95Very high75 Ų7563.4 Ų63.446%0.4633%0.327SS..  trans-74.8153170.1740000110.7T162 Q163 V164T160-T162 PolarHBondContact O-N 3.03Å; T160-Q163 WeakPolarHBondContact O-CB 3.41Å; T160-Q163 PolarHBondContact O-N 3.09Å; T160-Q163 VanDerWaalsContact O-N 3.11Å; T160-Q163 VanDerWaalsContact OG1-CG 3.29Å; T160-Q163 WeakPolarHBondContact OG1-CG 3.33Å; T160-Q163 PolarHBondContact OG1-N 3.05Å; T160-Q163 VanDerWaalsContact OG1-N 3.11Å; T160-Q163 PolarHBondContact OG1-OE1 3.23Å; T160-V164 PolarHBondContact O-N 3.44Å
161I95.4Very high94.8Very high65 Ų6565.1 Ų65.133%0.33333%0.333SS..Hα-helixtrans-56.8-35.1175.4-165.9178.9000111.9I147 K150 K151 V164 S165I147-I161 HydrophobicContact CG2-CD1 4.35Å; K150-I161 HydrophobicContact CB-CG1 4.08Å; K151-I161 HydrophobicContact CG-CD1 3.56Å; K151-I161 HydrophobicContact CG-CG1 4.46Å; I161-V164 PolarHBondContact O-N 3.28Å; I161-S165 WeakPolarHBondContact O-CB 3.41Å; I161-S165 PolarHBondContact O-N 2.95Å
162T94.8Very high94.8Very high85 Ų8561.3 Ų61.352%0.52132%0.315SS..Hα-helixtrans-66.2-44.9176.9-54.10000111.2T160 V164 S165 N166T160-T162 PolarHBondContact O-N 3.03Å; T162-V164 VanDerWaalsContact C-N 3.34Å; T162-V164 PolarHBondContact O-N 3.13Å; T162-S165 PolarHBondContact O-N 3.28Å; T162-N166 WeakPolarHBondContact O-CB 3.46Å; T162-N166 PolarHBondContact O-N 3.48Å
163Q93.9Very high94.6Very high71 Ų7160.6 Ų60.633%0.33231%0.313SS..Hα-helixtrans-59.4-45.6175-76.8169.8-31.600111.3F127 L159 T160 N166 W167F127-Q163 HydrophobicContact CE1-CB 4.23Å; F127-Q163 HydrophobicContact CZ-CB 4.37Å; F127-Q163 HydrophobicContact CZ-CG 4.39Å; L159-Q163 HydrophobicContact CB-CB 4.27Å; T160-Q163 WeakPolarHBondContact O-CB 3.41Å; T160-Q163 PolarHBondContact O-N 3.09Å; T160-Q163 VanDerWaalsContact O-N 3.11Å; T160-Q163 VanDerWaalsContact OG1-CG 3.29Å; T160-Q163 WeakPolarHBondContact OG1-CG 3.33Å; T160-Q163 PolarHBondContact OG1-N 3.05Å; T160-Q163 VanDerWaalsContact OG1-N 3.11Å; T160-Q163 PolarHBondContact OG1-OE1 3.23Å; Q163-N166 PolarHBondContact O-N 2.9Å; Q163-W167 VanDerWaalsContact O-CB 3.28Å; Q163-W167 WeakPolarHBondContact O-CB 3.37Å; Q163-W167 PolarHBondContact O-N 3.02Å
164V95.3Very high94.2Very high0 Ų066.2 Ų66.20%033%0.334CS..Hα-helixtrans-61-48.4175.2176.20000110.5L135 K150 M153 A154 L159 T160 I161 T162 N166 W167 F168L135-V164 HydrophobicContact CD2-CG1 4.04Å; L135-V164 HydrophobicContact CD2-CG2 4.22Å; K150-V164 HydrophobicContact CB-CG1 4.36Å; K150-V164 HydrophobicContact CG-CG1 4.29Å; M153-V164 HydrophobicContact CB-CG1 4.1Å; M153-V164 HydrophobicContact SD-CG1 4.3Å; A154-V164 HydrophobicContact CB-CG2 4Å; L159-V164 HydrophobicContact CB-CG2 4.05Å; L159-V164 HydrophobicContact CD1-CG2 4.41Å; T160-V164 PolarHBondContact O-N 3.44Å; I161-V164 PolarHBondContact O-N 3.28Å; T162-V164 VanDerWaalsContact C-N 3.34Å; T162-V164 PolarHBondContact O-N 3.13Å; V164-N166 VanDerWaalsContact C-N 3.34Å; V164-N166 PolarHBondContact O-N 3.31Å; V164-W167 PolarHBondContact O-N 3.45Å; V164-F168 HydrophobicContact CG1-CD2 3.89Å; V164-F168 HydrophobicContact CG1-CE2 3.89Å; V164-F168 WeakPolarHBondContact O-CD2 3.4Å; V164-F168 PolarHBondContact O-N 2.83Å
165S95.7Very high93.9Very high41 Ų4168.3 Ų68.329%0.28734%0.344SS..Hα-helixtrans-59-44.3179.5-163.30000112.3K150 I161 T162 F168 K169K150-S165 PolarHBondContact NZ-OG 3.3Å; I161-S165 WeakPolarHBondContact O-CB 3.41Å; I161-S165 PolarHBondContact O-N 2.95Å; T162-S165 PolarHBondContact O-N 3.28Å; S165-F168 PolarHBondContact O-N 3.19Å; S165-K169 WeakPolarHBondContact O-CB 3.28Å; S165-K169 PolarHBondContact O-N 3.25Å
166N95Very high93.6Very high65 Ų6565.2 Ų65.235%0.34833%0.331SS..Hα-helixtrans-66.4-40.7176.4-79-23.9000112T162 Q163 V164 F168 K169 N170T162-N166 WeakPolarHBondContact O-CB 3.46Å; T162-N166 PolarHBondContact O-N 3.48Å; Q163-N166 PolarHBondContact O-N 2.9Å; V164-N166 VanDerWaalsContact C-N 3.34Å; V164-N166 PolarHBondContact O-N 3.31Å; N166-F168 PolarHBondContact O-N 3.21Å; N166-K169 PolarHBondContact O-N 2.85Å; N166-K169 PolarHBondContact OD1-NZ 3.37Å; N166-N170 WeakPolarHBondContact O-CB 3.24Å; N166-N170 PolarHBondContact O-N 3.44Å; N166-N170 PolarHBondContact O-OD1 3.47Å
167W95Very high92.9Very high44 Ų4461.9 Ų61.917%0.16732%0.321CS..Hα-helixtrans-58.3-47.9176.4-174100.8000111L135 A136 F139 Q163 V164 K169 N170 R171L135-W167 VanDerWaalsContact C-CH2 3.49Å; L135-W167 HydrophobicContact CB-CD2 3.88Å; L135-W167 HydrophobicContact CB-CE3 3.89Å; L135-W167 HydrophobicContact CB-CH2 3.9Å; L135-W167 HydrophobicContact CB-CZ2 3.83Å; L135-W167 HydrophobicContact CB-CZ3 3.91Å; L135-W167 HydrophobicContact CD1-CB 4.13Å; L135-W167 HydrophobicContact CD1-CD2 3.77Å; L135-W167 HydrophobicContact CD1-CE3 4.27Å; L135-W167 HydrophobicContact CD1-CG 3.66Å; L135-W167 HydrophobicContact CG-CD2 4.45Å; L135-W167 WeakPolarHBondContact O-CH2 3.29Å; A136-W167 HydrophobicContact CB-CH2 4.45Å; A136-W167 HydrophobicContact CB-CZ2 4.48Å; F139-W167 HydrophobicContact CB-CH2 3.97Å; F139-W167 HydrophobicContact CB-CZ3 3.86Å; F139-W167 AromaticContact CD2-CZ3 3.97Å; F139-W167 HydrophobicContact CD2-CZ3 3.97Å; F139-W167 HydrophobicContact CG-CH2 4.39Å; F139-W167 HydrophobicContact CG-CZ3 4.18Å; Q163-W167 VanDerWaalsContact O-CB 3.28Å; Q163-W167 WeakPolarHBondContact O-CB 3.37Å; Q163-W167 PolarHBondContact O-N 3.02Å; V164-W167 PolarHBondContact O-N 3.45Å; W167-K169 PolarHBondContact O-N 3.49Å; W167-N170 PolarHBondContact O-N 3.02Å; W167-R171 HydrophobicContact CE3-CB 4.44Å; W167-R171 HydrophobicContact CH2-CB 4.34Å; W167-R171 HydrophobicContact CH2-CG 4.17Å; W167-R171 HydrophobicContact CZ3-CB 4.15Å; W167-R171 HydrophobicContact CZ3-CG 4.35Å; W167-R171 WeakPolarHBondContact O-CB 3.42Å; W167-R171 PolarHBondContact O-N 3.42Å
168F96.6Very high92.3Very high0 Ų065 Ų650%034%0.337CS..Hα-helixtrans-64.1-41.6177.1-88.3-95.1000112.4L135 Q138 F139 N142 P145 M153 V164 S165 N166 R171 R172L135-F168 HydrophobicContact CD2-CE2 4.06Å; Q138-F168 HydrophobicContact CB-CZ 4.26Å; F139-F168 HydrophobicContact CB-CE1 4.11Å; F139-F168 AromaticContact CD2-CD1 3.6Å; F139-F168 HydrophobicContact CD2-CD1 3.6Å; F139-F168 AromaticContact CD2-CE1 3.71Å; F139-F168 HydrophobicContact CD2-CE1 3.71Å; F139-F168 HydrophobicContact CE2-CD1 4.22Å; F139-F168 HydrophobicContact CG-CE1 4.38Å; N142-F168 WeakPolarHBondContact O-CE1 3.48Å; P145-F168 VanDerWaalsContact CD-CD1 3.42Å; P145-F168 HydrophobicContact CG-CD1 3.65Å; P145-F168 HydrophobicContact CG-CD2 4.17Å; P145-F168 HydrophobicContact CG-CE1 3.57Å; P145-F168 HydrophobicContact CG-CE2 4.09Å; P145-F168 HydrophobicContact CG-CG 3.98Å; P145-F168 HydrophobicContact CG-CZ 3.8Å; M153-F168 HydrophobicContact CE-CZ 4.01Å; M153-F168 HydrophobicContact SD-CE2 3.53Å; M153-F168 VanDerWaalsContact SD-CE2 3.53Å; M153-F168 HydrophobicContact SD-CZ 3.59Å; M153-F168 VanDerWaalsContact SD-CZ 3.59Å; V164-F168 HydrophobicContact CG1-CD2 3.89Å; V164-F168 HydrophobicContact CG1-CE2 3.89Å; V164-F168 WeakPolarHBondContact O-CD2 3.4Å; V164-F168 PolarHBondContact O-N 2.83Å; S165-F168 PolarHBondContact O-N 3.19Å; N166-F168 PolarHBondContact O-N 3.21Å; F168-R171 PolarHBondContact O-N 3.11Å; F168-R172 WeakPolarHBondContact O-CG 3.16Å; F168-R172 PolarHBondContact O-N 3.21Å; F168-R172 VanDerWaalsContact O-N 3.1Å
169K95.2Very high91.5Very high93 Ų9364.3 Ų64.340%0.40432%0.321SS..Hα-helixtrans-57.8-51.5175.2-177.4-174.672.7-174.40110.9S165 N166 W167 R171 R172 Q173S165-K169 WeakPolarHBondContact O-CB 3.28Å; S165-K169 PolarHBondContact O-N 3.25Å; N166-K169 PolarHBondContact O-N 2.85Å; N166-K169 PolarHBondContact OD1-NZ 3.37Å; W167-K169 PolarHBondContact O-N 3.49Å; K169-R171 PolarHBondContact O-N 3.11Å; K169-R172 PolarHBondContact O-N 3.47Å; K169-Q173 WeakPolarHBondContact O-CG 3.37Å; K169-Q173 PolarHBondContact O-N 2.94Å
170N94.8Very high90.4Very high61 Ų6167.7 Ų67.733%0.32634%0.339SS..Hα-helixtrans-67.5-37.3-177.1-65.6-0.7000111.3N166 W167 Q173 R174N166-N170 WeakPolarHBondContact O-CB 3.24Å; N166-N170 PolarHBondContact O-N 3.44Å; N166-N170 PolarHBondContact O-OD1 3.47Å; W167-N170 PolarHBondContact O-N 3.02Å; N170-Q173 PolarHBondContact O-N 3.39Å; N170-R174 WeakPolarHBondContact O-CG 3.28Å; N170-R174 PolarHBondContact O-N 3.25Å
171R94.4Very high89.3Confident72 Ų7271.2 Ų71.227%0.27235%0.348SS..Hα-helixtrans-62.3-46.5175.7-173.664.3-172.5-1712.3111.8F139 W167 F168 K169 Q173 R174 D175 D198F139-R171 HydrophobicContact CD1-CG 4.1Å; F139-R171 HydrophobicContact CD2-CB 4.24Å; F139-R171 HydrophobicContact CD2-CG 3.91Å; F139-R171 HydrophobicContact CE1-CG 3.88Å; F139-R171 HydrophobicContact CE2-CB 3.93Å; F139-R171 HydrophobicContact CE2-CG 3.68Å; F139-R171 HydrophobicContact CG-CG 4.12Å; F139-R171 HydrophobicContact CZ-CB 4.31Å; F139-R171 HydrophobicContact CZ-CG 3.66Å; W167-R171 HydrophobicContact CE3-CB 4.44Å; W167-R171 HydrophobicContact CH2-CB 4.34Å; W167-R171 HydrophobicContact CH2-CG 4.17Å; W167-R171 HydrophobicContact CZ3-CB 4.15Å; W167-R171 HydrophobicContact CZ3-CG 4.35Å; W167-R171 WeakPolarHBondContact O-CB 3.42Å; W167-R171 PolarHBondContact O-N 3.42Å; F168-R171 PolarHBondContact O-N 3.11Å; K169-R171 PolarHBondContact O-N 3.11Å; R171-Q173 VanDerWaalsContact C-N 3.3Å; R171-Q173 PolarHBondContact O-N 3.3Å; R171-R174 PolarHBondContact O-N 3.24Å; R171-D175 IonicContact CZ-OD1 3.9Å; R171-D175 IonicContact NE-OD1 3.53Å; R171-D175 IonicContact NH2-OD1 3.88Å; R171-D175 PolarHBondContact O-N 3Å; R171-D198 IonicContact NH1-OD1 3.29Å; R171-D198 PolarHBondContact NH1-OD1 3.07Å
172R95.7Very high87.9Confident52 Ų5274.9 Ų74.920%0.19636%0.362CS..Hα-helixtrans-61.7-36.4174.9-69.3-167.9-59.4-86.5-4.8112.8F139 S143 Y144 F168 K169 K176F139-R172 HydrophobicContact CE2-CG 3.78Å; F139-R172 HydrophobicContact CZ-CG 4Å; S143-R172 PolarHBondContact O-NH1 3.48Å; Y144-R172 VanDerWaalsContact CZ-CD 3.41Å; F168-R172 WeakPolarHBondContact O-CG 3.16Å; F168-R172 PolarHBondContact O-N 3.21Å; F168-R172 VanDerWaalsContact O-N 3.1Å; K169-R172 PolarHBondContact O-N 3.47Å; R172-K176 WeakPolarHBondContact O-CB 3.48Å; R172-K176 VanDerWaalsContact O-CG 3.28Å; R172-K176 WeakPolarHBondContact O-CG 3.31Å; R172-K176 PolarHBondContact O-N 2.97Å
173Q92.2Very high86.3Confident110 Ų11076.1 Ų76.151%0.51437%0.37SS..Hα-helixtrans-62.7-45.4174.8-75.3175.3-24.500111.1K169 N170 R171 K176 T177K169-Q173 WeakPolarHBondContact O-CG 3.37Å; K169-Q173 PolarHBondContact O-N 2.94Å; N170-Q173 PolarHBondContact O-N 3.39Å; R171-Q173 VanDerWaalsContact C-N 3.3Å; R171-Q173 PolarHBondContact O-N 3.3Å; Q173-K176 PolarHBondContact O-N 3.38Å; Q173-T177 WeakPolarHBondContact O-CG2 3.44Å; Q173-T177 PolarHBondContact O-N 3.35Å; Q173-T177 PolarHBondContact O-OG1 3.45Å
174R90.1Very high84.4Confident121 Ų12182.9 Ų82.946%0.45739%0.392SS..Hα-helixtrans-63-42.1176.2-67.6176.9-168.3167.21.8112.7N170 R171 K176 T177 L178N170-R174 WeakPolarHBondContact O-CG 3.28Å; N170-R174 PolarHBondContact O-N 3.25Å; R171-R174 PolarHBondContact O-N 3.24Å; R174-K176 VanDerWaalsContact C-N 3.33Å; R174-K176 PolarHBondContact O-N 3.43Å; R174-T177 WeakPolarHBondContact CA-OG1 3.47Å; R174-T177 PolarHBondContact O-N 2.91Å; R174-T177 PolarHBondContact O-OG1 3.06Å; R174-L178 WeakPolarHBondContact O-CB 3.35Å; R174-L178 VanDerWaalsContact O-CG 3.24Å; R174-L178 WeakPolarHBondContact O-CG 3.47Å; R174-L178 PolarHBondContact O-N 3.36Å
175D89.4Confident82.2Confident54 Ų5485.4 Ų85.429%0.28942%0.418SS..Hα-helixtrans-66-37.3178.7-69.3-11.5000111.8F139 R171 S179F139-D175 WeakPolarHBondContact CE1-OD2 3.47Å; F139-D175 VanDerWaalsContact CZ-OD2 3.31Å; F139-D175 WeakPolarHBondContact CZ-OD2 3.43Å; R171-D175 IonicContact CZ-OD1 3.9Å; R171-D175 IonicContact NE-OD1 3.53Å; R171-D175 IonicContact NH2-OD1 3.88Å; R171-D175 PolarHBondContact O-N 3Å; D175-S179 PolarHBondContact O-N 2.94Å; D175-S179 PolarHBondContact O-OG 3.37Å
176K87.3Confident80Confident121 Ų12190.5 Ų90.553%0.52644%0.44SS..Hα-helixtrans-65.8-42.1174-74.8177.5-177.9-171.20112.7R172 Q173 R174 S179 N180R172-K176 WeakPolarHBondContact O-CB 3.48Å; R172-K176 VanDerWaalsContact O-CG 3.28Å; R172-K176 WeakPolarHBondContact O-CG 3.31Å; R172-K176 PolarHBondContact O-N 2.97Å; Q173-K176 PolarHBondContact O-N 3.38Å; R174-K176 VanDerWaalsContact C-N 3.33Å; R174-K176 PolarHBondContact O-N 3.43Å; K176-S179 WeakPolarHBondContact CA-OG 3.36Å; K176-S179 PolarHBondContact O-N 3.17Å; K176-S179 PolarHBondContact O-OG 3.07Å; K176-N180 PolarHBondContact O-N 3.27Å; K176-N180 PolarHBondContact O-ND2 2.95Å
177T80.4Confident77.3Confident65 Ų6592.8 Ų92.840%0.39946%0.457SS..Hα-helixtrans-66.4-43.5177.154.70000110.3Q173 R174 S179 N180 F181Q173-T177 WeakPolarHBondContact O-CG2 3.44Å; Q173-T177 PolarHBondContact O-N 3.35Å; Q173-T177 PolarHBondContact O-OG1 3.45Å; R174-T177 WeakPolarHBondContact CA-OG1 3.47Å; R174-T177 PolarHBondContact O-N 2.91Å; R174-T177 PolarHBondContact O-OG1 3.06Å; T177-S179 VanDerWaalsContact C-N 3.34Å; T177-S179 PolarHBondContact O-N 3.01Å; T177-N180 PolarHBondContact O-N 3.38Å; T177-N180 VanDerWaalsContact O-N 3.1Å; T177-F181 WeakPolarHBondContact O-CD2 3.23Å; T177-F181 PolarHBondContact O-N 3.1Å
178L79.5Confident74.7Confident78 Ų7899.3 Ų99.341%0.40849%0.489SS..Hα-helixtrans-59-39.9174.6-71.2169.2000112.7R174 K182R174-L178 WeakPolarHBondContact O-CB 3.35Å; R174-L178 VanDerWaalsContact O-CG 3.24Å; R174-L178 WeakPolarHBondContact O-CG 3.47Å; R174-L178 PolarHBondContact O-N 3.36Å; L178-K182 WeakPolarHBondContact O-CG 3.32Å; L178-K182 PolarHBondContact O-N 3.5Å; L178-K182 VanDerWaalsContact O-N 3.11Å
179S74.6Confident71.7Confident55 Ų55107.1 Ų107.139%0.38553%0.531SS..Hα-helixtrans-66.7-38174.2590000112.6D175 K176 T177 K182 T183D175-S179 PolarHBondContact O-N 2.94Å; D175-S179 PolarHBondContact O-OG 3.37Å; K176-S179 WeakPolarHBondContact CA-OG 3.36Å; K176-S179 PolarHBondContact O-N 3.17Å; K176-S179 PolarHBondContact O-OG 3.07Å; T177-S179 VanDerWaalsContact C-N 3.34Å; T177-S179 PolarHBondContact O-N 3.01Å; S179-K182 PolarHBondContact O-N 3.47Å; S179-T183 PolarHBondContact O-N 2.87Å; S179-T183 PolarHBondContact O-OG1 2.87Å; S179-T183 VanDerWaalsContact O-OG1 3.06Å
180N70.2Confident68.7Low94 Ų94106.4 Ų106.450%0.50355%0.55SS..Hα-helixtrans-67.5-36.3178.5-70-15.6000112.5K176 T177 R184K176-N180 PolarHBondContact O-N 3.27Å; K176-N180 PolarHBondContact O-ND2 2.95Å; T177-N180 PolarHBondContact O-N 3.38Å; T177-N180 VanDerWaalsContact O-N 3.1Å; N180-R184 PolarHBondContact O-N 3.37Å
181F70.7Confident65.9Low148 Ų148111 Ų11165%0.64957%0.574SS**Hα-helixtrans-67.7-39172.9-70.7-66.1000111.9T177 T183 R184 G185T177-F181 WeakPolarHBondContact O-CD2 3.23Å; T177-F181 PolarHBondContact O-N 3.1Å; F181-T183 PolarHBondContact O-N 3.31Å; F181-R184 PolarHBondContact O-N 3.33Å; F181-G185 PolarHBondContact O-N 2.85Å; F181-G185 VanDerWaalsContact O-N 3.13Å
182K65.1Low63Low142 Ų142113.2 Ų113.262%0.61760%0.6SS**Hα-helixtrans-61.1-41.6174.4-75.2177.2-179-178.50112.5L178 S179 R184L178-K182 WeakPolarHBondContact O-CG 3.32Å; L178-K182 PolarHBondContact O-N 3.5Å; L178-K182 VanDerWaalsContact O-N 3.11Å; S179-K182 PolarHBondContact O-N 3.47Å; K182-R184 VanDerWaalsContact C-N 3.33Å; K182-R184 PolarHBondContact O-N 2.95Å
183T61.6Low60Low112 Ų112121.4 Ų121.469%0.68763%0.633SS**Hα-helixtrans-70.9-27.9-179.3-50.70000112.8S179 F181S179-T183 PolarHBondContact O-N 2.87Å; S179-T183 PolarHBondContact O-OG1 2.87Å; S179-T183 VanDerWaalsContact O-OG1 3.06Å; F181-T183 PolarHBondContact O-N 3.31Å
184R53Low57.6Low213 Ų213124.6 Ų124.680%0.80465%0.647SS**Hα-helixtrans-89-16.8179.7-72.2-179.6175.6163.8-1.7114.5N180 F181 K182N180-R184 PolarHBondContact O-N 3.37Å; F181-R184 PolarHBondContact O-N 3.33Å; K182-R184 VanDerWaalsContact C-N 3.33Å; K182-R184 PolarHBondContact O-N 2.95Å
185G50.1Low55Low52 Ų52126.5 Ų126.554%0.53666%0.661SS.*SBendtrans-95.24-174.100000117F181 T187F181-G185 PolarHBondContact O-N 2.85Å; F181-G185 VanDerWaalsContact O-N 3.13Å; G185-T187 VanDerWaalsContact C-N 3.3Å; G185-T187 PolarHBondContact O-N 3.01Å
186I49.3Very low52.5Low148 Ų148127.1 Ų127.176%0.75967%0.668SS**  trans-83.80.4-174.8-68.1174.1000113.4
187T38.5Very low50.5Low114 Ų114126.4 Ų126.470%0.69967%0.674SS**SBendtrans-107.7114170.756.90000110.1G185G185-T187 VanDerWaalsContact C-N 3.3Å; G185-T187 PolarHBondContact O-N 3.01Å
188Q39.8Very low48.8Very low180 Ų180129.5 Ų129.584%0.84169%0.688SS**SBendtrans103.996.6173.1-54.9-173.315.800116.1
189N34.8Very low47.2Very low165 Ų165132.3 Ų132.388%0.88270%0.697SS**  trans58.7127.5147.2-67-11000120.2
190G30.9Very low45.6Very low77 Ų77136.1 Ų136.179%0.79471%0.709SS**  trans-62.4140-168.700000115.5
191L37.4Very low44.3Very low159 Ų159135.7 Ų135.783%0.83271%0.71SS**  trans-157131.8152.7-95.7143.9000106.6Y193L191-Y193 PolarHBondContact O-N 3.27Å
192S32.8Very low42.8Very low118 Ų118131.8 Ų131.883%0.82570%0.704SS**  trans-60.5116.2-177.354.60000111.4H194S192-H194 PolarHBondContact O-N 2.68Å
193Y32.9Very low41.6Very low224 Ų224130.8 Ų130.888%0.87871%0.711SS**  trans-75.9108173.9-87.1-86.8000110.7L191L191-Y193 PolarHBondContact O-N 3.27Å
194H40.7Very low40.4Very low177 Ų177133.4 Ų133.482%0.81972%0.715SS**  trans-65131.4161.2-126.1-60.3000108.5S192 P196S192-H194 PolarHBondContact O-N 2.68Å; H194-P196 WeakPolarHBondContact O-CD 3.37Å
195Q36.3Very low39.5Very low160 Ų160132.1 Ų132.175%0.74872%0.716SS**  trans-56.5119.9173.1-76.5-99.8-41.900109.5T197Q195-T197 PolarHBondContact O-N 2.72Å; Q195-T197 VanDerWaalsContact O-N 3.09Å
196P37.5Very low38.8Very low67 Ų67138.3 Ų138.344%0.43573%0.73SS.*  trans-64.9114.8174.4-15.929.3000108.1H194H194-P196 WeakPolarHBondContact O-CD 3.37Å
197T45.6Very low38Very low106 Ų106139.2 Ų139.265%0.6573%0.731SS**  trans-61.2154.4163.960.20000108.4Q195 F199 E200Q195-T197 PolarHBondContact O-N 2.72Å; Q195-T197 VanDerWaalsContact O-N 3.09Å; T197-F199 PolarHBondContact O-N 2.84Å; T197-E200 PolarHBondContact O-N 3.49Å
198D43.8Very low37.7Very low130 Ų130141.9 Ų141.970%0.69574%0.735SS**THydrogen-bonded Turntrans-55.65-171.9-70.6-54000116.2R171R171-D198 IonicContact NH1-OD1 3.29Å; R171-D198 PolarHBondContact NH1-OD1 3.07Å
199F46Very low37.5Very low137 Ų137140.9 Ų140.960%0.60173%0.729SS**THydrogen-bonded Turntrans-89.1-28.3-176.9-162.8-104000114.9T197T197-F199 PolarHBondContact O-N 2.84Å
200E40.4Very low37.7Very low135 Ų135140.2 Ų140.263%0.63172%0.72SS**G310 helixtrans-85.1-11.5-169-92.1174.4163.200115.8T197T197-E200 PolarHBondContact O-N 3.49Å
201V42.4Very low37.7Very low86 Ų86145 Ų14552%0.52172%0.722SS.*G310 helixtrans-92.9-2.2-173.9-172.20000112.9T203V201-T203 VanDerWaalsContact C-N 3.34Å; V201-T203 PolarHBondContact O-N 3.3Å
202A40.7Very low37.5Very low65 Ų65145.2 Ų145.254%0.53772%0.724SS.*G310 helixtrans-81.2-7.5-174.700000114.8
203T39.5Very low37.4Very low122 Ų122145 Ų14575%0.74872%0.718SS**G310 helixtrans-104.71-166.830.20000116.6V201V201-T203 VanDerWaalsContact C-N 3.34Å; V201-T203 PolarHBondContact O-N 3.3Å
204E36.9Very low37.4Very low166 Ų166141.9 Ų141.978%0.77672%0.716SS**SBendtrans-129.519.6-168.7-73-172.3162.200117.3
205F33.4Very low37.1Very low187 Ų187140.5 Ų140.582%0.8272%0.721SS**  trans-127.276.8173.1-78.2-90.6000111.4
206H34.9Very low36.8Very low182 Ų182136.9 Ų136.984%0.84372%0.718SS**  trans-106.7141157-144.968.5000107
207E32.2Very low36.4Very low166 Ų166141 Ų14178%0.77674%0.735SS**SBendtrans92.5124.6178.4-55.5-178.7160.600116.8
208H33.5Very low35.8Very low170 Ų170147.3 Ų147.379%0.78775%0.749SS**  trans72.6105.2173.1-65.2-68.6000117.4
209F34.3Very low35Very low160 Ų160148.2 Ų148.270%0.70275%0.754SS**  166.6125.784-141.3-122.6000111.9
210E39.4Very low34.2Very low151 Ų151146.1 Ų146.171%0.70676%0.762SS**  trans69.3118.8146.9-70.8-177.6172.800123.2N212E210-N212 PolarHBondContact O-N 3.42Å
211E31Very low33.8Very low178 Ų178149.3 Ų149.383%0.83277%0.774SS**  trans-32.7118.8157-69.7167.3144.200113.8
212N34.1Very low33.1Very low162 Ų162155.8 Ų155.887%0.86680%0.795SS**  trans-135.6101.9141.3-98.8-50.6000107.6E210 D214E210-N212 PolarHBondContact O-N 3.42Å; N212-D214 PolarHBondContact O-N 3.13Å
213T30.4Very low32.5Very low114 Ų114161.4 Ų161.470%0.69981%0.81SS**  trans-64.5110.5171.548.40000109.5
214D33.7Very low31.9Very low159 Ų159164.1 Ų164.185%0.8581%0.814SS**  trans-152.660.7147-94-24.9000107.5N212 A216N212-D214 PolarHBondContact O-N 3.13Å; D214-A216 VanDerWaalsContact C-N 3.34Å; D214-A216 PolarHBondContact O-N 3.47Å
215T32.5Very low31.5Very low148 Ų148163.2 Ų163.291%0.90882%0.82SS**  trans-8877.5165.8-50.80000107.5
216A30.6Very low31.1Very low84 Ų84159.4 Ų159.469%0.69482%0.823SS**  trans-163.4140.9160.900000107.8D214D214-A216 VanDerWaalsContact C-N 3.34Å; D214-A216 PolarHBondContact O-N 3.47Å
217L30.1Very low30.8Very low152 Ų152156.4 Ų156.480%0.79682%0.821SS**  trans90.259.5166.4-147.775000117.9
218Y32Very low30.5Very low239 Ų239153.8 Ų153.894%0.93782%0.821SS**  trans-13444.6149.7-63.1-86.1000111
219D27.5Very low30.3Very low149 Ų149152.3 Ų152.380%0.79782%0.819SS**SBendtrans-93.9139.2149-94.7-35.8000107.2
220A29.6Very low30Very low94 Ų94149.1 Ų149.178%0.77782%0.817SS**SBendtrans69.888.9173.800000117.6
221K30.5Very low29.6Very low202 Ų202147.6 Ų147.688%0.87882%0.823SS**  trans179.173.3135.8-98.3164.5-173.1-179.70112.1
222F28.8Very low30Very low221 Ų221147.5 Ų147.597%0.96982%0.82SS**  trans-141.476.1148.2-103.3-82.8000106.6
223H27.4Very low30.3Very low183 Ų183142.3 Ų142.385%0.84780%0.796SS**  trans-139.897.9170.5-141.1-79.8000107.2
224E27.1Very low31.2Very low180 Ų180137.7 Ų137.784%0.84177%0.766SS**  trans173.980140.2-98.6175.6171.400109.7
225T28.6Very low31.9Very low147 Ų147132.2 Ų132.290%0.90273%0.734SS**SBendtrans-144.5114.8135.5-13.40000105.4C227T225-C227 PolarHBondContact O-N 3.34Å; T225-C227 VanDerWaalsContact O-N 3.16Å
226A25.8Very low32.5Very low106 Ų106131.7 Ų131.788%0.87673%0.726SS**  trans-59.2111.8-166.200000112.9
227C27Very low32.7Very low119 Ų119134.9 Ų134.980%0.80473%0.727SS**  trans-161.5112.3139.4-120.90000107.7T225 D229T225-C227 PolarHBondContact O-N 3.34Å; T225-C227 VanDerWaalsContact O-N 3.16Å; C227-D229 PolarHBondContact O-N 3.29Å
228S25.7Very low33Very low111 Ų111134.9 Ų134.978%0.77673%0.727SS**  trans-36124158.641.90000112
229D29.6Very low33.3Very low140 Ų140128.6 Ų128.675%0.74971%0.705SS**  172.6153.199.9-134.6-28000112.5C227 S231C227-D229 PolarHBondContact O-N 3.29Å; D229-S231 PolarHBondContact O-N 3.06Å
230S28.3Very low33.5Very low92 Ų92124.4 Ų124.464%0.64369%0.688SS**  trans-48.6112.3-178.4163.20000115.4
231S32.1Very low33.9Very low119 Ų119126 Ų12683%0.83268%0.677SS**  trans-105.176164.357.70000111.3D229D229-S231 PolarHBondContact O-N 3.06Å
232K37.8Very low33.8Very low177 Ų177123 Ų12377%0.7767%0.666SS**  trans-68.6122.5153.9-85.3178.41761720107Y234K232-Y234 PolarHBondContact O-N 3.28Å
233S42.3Very low34Very low53 Ų53117.7 Ų117.737%0.37166%0.655SS.*  trans-68.5132.4-176.9102.50000110.1F235 D236S233-F235 PolarHBondContact O-N 3.11Å; S233-F235 VanDerWaalsContact O-N 3.11Å; S233-D236 WeakPolarHBondContact CB-OD2 3.41Å; S233-D236 WeakPolarHBondContact OG-CB 2.96Å; S233-D236 PolarHBondContact OG-N 3.06Å; S233-D236 PolarHBondContact OG-OD2 3.46Å
234Y47.8Very low34Very low17 Ų17116.3 Ų116.37%0.06765%0.649CS.*THydrogen-bonded Turntrans-62.3-14.1179.4-172.5-87.4000113.3Q21 I23 L51 K232Q21-Y234 HydrophobicContact CB-CD2 4.48Å; Q21-Y234 HydrophobicContact CB-CE2 4.3Å; Q21-Y234 HydrophobicContact CG-CD2 3.99Å; Q21-Y234 HydrophobicContact CG-CE2 4.31Å; I23-Y234 HydrophobicContact CD1-CE2 4.46Å; I23-Y234 WeakPolarHBondContact CD1-OH 3.47Å; I23-Y234 HydrophobicContact CG1-CE2 4.31Å; I23-Y234 WeakPolarHBondContact CG1-OH 3.43Å; L51-Y234 HydrophobicContact CD1-CD1 4.22Å; L51-Y234 HydrophobicContact CD1-CE1 3.43Å; L51-Y234 VanDerWaalsContact CD1-CE1 3.43Å; L51-Y234 WeakPolarHBondContact CD1-OH 3.46Å; L51-Y234 HydrophobicContact CD2-CE1 4.17Å; L51-Y234 HydrophobicContact CD2-CE2 3.78Å; L51-Y234 WeakPolarHBondContact CD2-OH 3.31Å; L51-Y234 HydrophobicContact CG-CE1 4.36Å; K232-Y234 PolarHBondContact O-N 3.28Å
235F48.6Very low34.3Very low43 Ų43116.3 Ų116.319%0.18965%0.649CS.*THydrogen-bonded Turntrans-116.31-169.6-58.7-77.2000114.1F54 N81 L82 Q85 S233 H237F54-F235 HydrophobicContact CE1-CE1 4.4Å; N81-F235 HydrophobicContact CB-CD2 4.48Å; L82-F235 HydrophobicContact CD1-CZ 4.11Å; Q85-F235 HydrophobicContact CG-CD1 4.44Å; S233-F235 PolarHBondContact O-N 3.11Å; S233-F235 VanDerWaalsContact O-N 3.11Å; F235-H237 VanDerWaalsContact C-N 3.33Å
236D44.9Very low34.3Very low137 Ų137115 Ų11573%0.73365%0.646SS**SBendtrans-79.7-14.5175.2-76.8-36.5000113S233 D238S233-D236 WeakPolarHBondContact CB-OD2 3.41Å; S233-D236 WeakPolarHBondContact OG-CB 2.96Å; S233-D236 PolarHBondContact OG-N 3.06Å; S233-D236 PolarHBondContact OG-OD2 3.46Å; D236-D238 PolarHBondContact O-N 2.99Å
237H35.5Very low34.5Very low152 Ų152113.2 Ų113.270%0.70464%0.637SS**SBendtrans-84113.1163.8-87.8-73000108.8F235 F239F235-H237 VanDerWaalsContact C-N 3.33Å; H237-F239 PolarHBondContact O-N 3.33Å
238D36.8Very low34.8Very low152 Ų152114.6 Ų114.681%0.81364%0.637SS**  trans-35.6102.4168.9-94.3-35.8000110.8D236 S240D236-D238 PolarHBondContact O-N 2.99Å; D238-S240 PolarHBondContact O-N 3.1Å
239F37.7Very low34.9Very low106 Ų106119.4 Ų119.447%0.46564%0.639SS.*  trans-70.163.8155.5-111.3-79.6000107.1I23 H237 F241I23-F239 HydrophobicContact CD1-CZ 4.3Å; H237-F239 PolarHBondContact O-N 3.33Å; F239-F241 AromaticContact CD1-CD2 3.75Å; F239-F241 HydrophobicContact CD1-CD2 3.75Å; F239-F241 AromaticContact CD1-CE2 3.37Å; F239-F241 HydrophobicContact CD1-CE2 3.37Å; F239-F241 HydrophobicContact CD1-CZ 4.14Å; F239-F241 HydrophobicContact CE1-CD2 4.5Å; F239-F241 AromaticContact CE1-CE2 3.73Å; F239-F241 HydrophobicContact CE1-CE2 3.73Å; F239-F241 HydrophobicContact CE1-CZ 4.08Å; F239-F241 HydrophobicContact CG-CE2 4.43Å; F239-F241 PolarHBondContact O-N 2.82Å
240S32.6Very low34.9Very low62 Ų62117.9 Ų117.943%0.43464%0.64SS.*  trans-70.984.5166.5-170.80000106.3D238 H242D238-S240 PolarHBondContact O-N 3.1Å; S240-H242 PolarHBondContact O-N 3.05Å; S240-H242 PolarHBondContact OG-CE1 3.34Å; S240-H242 PolarHBondContact OG-ND1 3.01Å
241F36.5Very low34.9Very low127 Ų127118.6 Ų118.656%0.55765%0.645SS**  trans-62.185.4163.8-93.7-82.6000107.4F239 C243F239-F241 AromaticContact CD1-CD2 3.75Å; F239-F241 HydrophobicContact CD1-CD2 3.75Å; F239-F241 AromaticContact CD1-CE2 3.37Å; F239-F241 HydrophobicContact CD1-CE2 3.37Å; F239-F241 HydrophobicContact CD1-CZ 4.14Å; F239-F241 HydrophobicContact CE1-CD2 4.5Å; F239-F241 AromaticContact CE1-CE2 3.73Å; F239-F241 HydrophobicContact CE1-CE2 3.73Å; F239-F241 HydrophobicContact CE1-CZ 4.08Å; F239-F241 HydrophobicContact CG-CE2 4.43Å; F239-F241 PolarHBondContact O-N 2.82Å; F241-C243 VanDerWaalsContact C-N 3.33Å; F241-C243 PolarHBondContact O-N 3.38Å
242H29.7Very low34.8Very low139 Ų139118.2 Ų118.264%0.64464%0.642SS**  trans-66.898.6162.9-86.470000107.1S240 H244S240-H242 PolarHBondContact O-N 3.05Å; S240-H242 PolarHBondContact OG-CE1 3.34Å; S240-H242 PolarHBondContact OG-ND1 3.01Å; H242-H244 PolarHBondContact O-N 3.35Å
243C32.8Very low34.6Very low110 Ų110119.3 Ų119.374%0.74365%0.647SS**  trans-6684.6161.8-172.90000107.6F241 Q245F241-C243 VanDerWaalsContact C-N 3.33Å; F241-C243 PolarHBondContact O-N 3.38Å; C243-Q245 VanDerWaalsContact C-N 3.25Å; C243-Q245 PolarHBondContact O-N 3.33Å
244H28.1Very low34.1Very low153 Ų153121.2 Ų121.271%0.70866%0.66SS**  trans-74.389160-86.9-87.3000107.3H242 S246H242-H244 PolarHBondContact O-N 3.35Å; H244-S246 PolarHBondContact O-N 3.36Å
245Q31.5Very low33.6Very low180 Ų180128 Ų12884%0.84169%0.692SS**  trans-68.189.5153.1-87.4-179.4-6.600107.5C243 G247C243-Q245 VanDerWaalsContact C-N 3.25Å; C243-Q245 PolarHBondContact O-N 3.33Å; Q245-G247 PolarHBondContact O-N 3.47Å
246S29.3Very low32.8Very low120 Ų120132.6 Ų132.684%0.83972%0.718SS**  trans-76.594.2155420000107.7H244H244-S246 PolarHBondContact O-N 3.36Å
247G31.2Very low32.3Very low68 Ų68133.1 Ų133.170%0.70172%0.721SS**  trans-148.579.7174.700000109.1Q245Q245-G247 PolarHBondContact O-N 3.47Å
248N31.3Very low32.1Very low149 Ų149130.8 Ų130.880%0.79772%0.722SS**  trans-50.5133.1176.4-83-32.4000112.2
249Y29Very low32.3Very low211 Ų211128 Ų12883%0.82771%0.714SS**  trans35.8135133.5-69.2-86.2000121.3
250S29.6Very low32.3Very low109 Ų109129.1 Ų129.176%0.76273%0.725SS**  trans95.3105.3146.1-79.10000118.7
251S27.6Very low32.8Very low106 Ų106133.8 Ų133.874%0.74174%0.74SS**  trans-21.8132.8142.655.80000114.7
252S31Very low33Very low112 Ų112133.5 Ų133.578%0.78374%0.744SS**  -175.1116.2118.2-81.20000112.3
253F32.8Very low33.3Very low200 Ų200135.8 Ų135.888%0.87775%0.753SS**  23.5120.5128.2-134.4-101000119.3
254S32.7Very low33.6Very low92 Ų92136.1 Ų136.164%0.64376%0.756SS**  trans-77.9120.9160.449.10000111.4
255H35.5Very low33.9Very low160 Ų160134.9 Ų134.974%0.74176%0.759SS**  167.9121.8129.4-96.8-56.8000113.4
256L31.9Very low34.5Very low140 Ų140133 Ų13373%0.73376%0.76SS**  trans70.5136134.9-65.9164000122.9
257N34.7Very low35.1Very low147 Ų147131.8 Ų131.879%0.78675%0.752SS**  trans83.7101.3161.2-57.2-21000116
258S32.6Very low35.8Very low104 Ų104135 Ų13573%0.72775%0.751SS**  87.4123.371.6-164.90000112.4
259S39.6Very low36.4Very low92 Ų92136.4 Ų136.464%0.64375%0.75SS**  trans73.6133.9156.5-55.60000116
260D38.2Very low37.1Very low130 Ų130135.1 Ų135.170%0.69575%0.751SS**  cis-172.3146.910.8-94.2-21000106.3
261E43.8Very low38Very low160 Ų160140.9 Ų140.975%0.74877%0.774SS**  trans55.7142.1141.1-47.5-79.5116.700119.2
262D39.7Very low38.5Very low122 Ų122142.6 Ų142.665%0.65278%0.775SS**  cis-171150.68.1-132.8-7.3000109.8
263F36.7Very low38.9Very low187 Ų187144.2 Ų144.282%0.8278%0.775SS**  trans31.2123.2146.3-95.4-102.7000123.5
264S39.4Very low39.2Very low117 Ų117141.1 Ų141.182%0.81877%0.769SS**  152.914594.859.60000114.1
265V33.1Very low39.6Very low127 Ų127144 Ų14477%0.7778%0.777SS**  trans-105.4136.9-170.31660000110.4
266T44.7Very low39.9Very low140 Ų140143 Ų14386%0.85978%0.779SS**  trans-158.9101.1146.239.30000108.5
267S42.9Very low40.4Very low94 Ų94143.2 Ų143.266%0.65778%0.782SS**  57.5118.786.2-104.70000116.8
268I45.3Very low40.8Very low135 Ų135142.9 Ų142.969%0.69278%0.782SS**  104.3111.9126.2-70.4168.1000119.9
269K44.2Very low41.4Very low179 Ų179145.9 Ų145.978%0.77879%0.786SS**  trans82.2114.2135.1-71.6173.6-166.4175.50122.4
270H43.1Very low41.6Very low184 Ų184150.4 Ų150.485%0.85280%0.798SS**  26.4124.6126.2-77.9-46.9000120.6
271N47.9Very low41.9Very low230 Ų230152.3 Ų152.3100%1.2381%0.807SS**  -122.30113.9-146.320.3000108.3

Retrieved 271 of 271 residues in 418.4 ms (Link to these results)

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