A0A5K4F6M7_SCHMA Loading...

G_PROTEIN_RECEP_F1_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6M7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 126 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
1M53.7Low69Low207 Ų207105.5 Ų105.5100%1.0257%0.574SS**  0-220-90.3165.37800114.6T4M1-T4 PolarHBondContact O-OG1 2.93Å
2N58.9Low70.6Confident127 Ų12799.7 Ų99.768%0.67954%0.54SS*.Hα-helixtrans-66.3-46.7178.2-106.124.4000114.7T4 V5 D6N2-T4 VanDerWaalsContact C-N 3.27Å; N2-T4 PolarHBondContact O-N 3.02Å; N2-T4 VanDerWaalsContact O-N 3.17Å; N2-V5 PolarHBondContact O-N 2.98Å; N2-D6 PolarHBondContact O-N 3.13Å
3K58.5Low72.1Confident186 Ų18698.8 Ų98.881%0.80953%0.533SS*.Hα-helixtrans-57.9-35.5-174.5-81.7-172.4173.7-1790114.4L7K3-L7 WeakPolarHBondContact O-CB 3.37Å; K3-L7 PolarHBondContact O-N 2.95Å
4T63.6Low73.7Confident100 Ų10099.4 Ų99.461%0.61353%0.534SS*.Hα-helixtrans-71.8-34.4179.3440000112.2M1 N2 S8M1-T4 PolarHBondContact O-OG1 2.93Å; N2-T4 VanDerWaalsContact C-N 3.27Å; N2-T4 PolarHBondContact O-N 3.02Å; N2-T4 VanDerWaalsContact O-N 3.17Å; T4-S8 PolarHBondContact O-N 3.02Å
5V61.4Low74.9Confident90 Ų9095.8 Ų95.855%0.54552%0.517SS..Hα-helixtrans-72.6-44.7176.5179.40000110.1N2 L7 S8 S9N2-V5 PolarHBondContact O-N 2.98Å; V5-L7 PolarHBondContact O-N 3.45Å; V5-S8 PolarHBondContact O-N 3.44Å; V5-S9 PolarHBondContact O-N 3.37Å; V5-S9 PolarHBondContact O-OG 2.76Å
6D62.6Low76Confident94 Ų9491.1 Ų91.150%0.50349%0.493SS..Hα-helixtrans-61.6-41.6177.4-74.1-29.6000112.6N2 S10N2-D6 PolarHBondContact O-N 3.13Å; D6-S10 WeakPolarHBondContact O-CB 3.45Å; D6-S10 PolarHBondContact O-N 3.13Å; D6-S10 PolarHBondContact O-OG 3.41Å
7L66.1Low77.1Confident110 Ų11090.7 Ų90.758%0.57649%0.494SS*.Hα-helixtrans-65.4-41.6177.4-174.865.1000111.4K3 V5 S10 I11K3-L7 WeakPolarHBondContact O-CB 3.37Å; K3-L7 PolarHBondContact O-N 2.95Å; V5-L7 PolarHBondContact O-N 3.45Å; L7-S10 PolarHBondContact O-N 3.44Å; L7-I11 HydrophobicContact CD1-CD1 4.32Å; L7-I11 HydrophobicContact CG-CD1 4.05Å; L7-I11 WeakPolarHBondContact O-CG1 3.37Å; L7-I11 PolarHBondContact O-N 3.45Å; L7-I11 VanDerWaalsContact O-N 3.08Å
8S78.2Confident78.1Confident56 Ų5692.4 Ų92.439%0.39250%0.498SS..Hα-helixtrans-61-50.8177.2-172.40000110.9T4 V5 S10 I11 Q12T4-S8 PolarHBondContact O-N 3.02Å; V5-S8 PolarHBondContact O-N 3.44Å; S8-S10 VanDerWaalsContact C-N 3.31Å; S8-S10 PolarHBondContact O-N 3.45Å; S8-I11 PolarHBondContact O-N 3.13Å; S8-Q12 VanDerWaalsContact O-CG 3.26Å; S8-Q12 WeakPolarHBondContact O-CG 3.39Å; S8-Q12 PolarHBondContact O-N 3.35Å; S8-Q12 PolarHBondContact OG-NE2 3.12Å
9S80.5Confident79Confident44 Ų4487.7 Ų87.731%0.30847%0.474SS..Hα-helixtrans-60.3-40179.3-60.50000112.6V5 Q12 I13V5-S9 PolarHBondContact O-N 3.37Å; V5-S9 PolarHBondContact O-OG 2.76Å; S9-Q12 PolarHBondContact O-N 3.29Å; S9-I13 WeakPolarHBondContact O-CG1 3.21Å; S9-I13 PolarHBondContact O-N 2.87Å
10S87.2Confident79.8Confident61 Ų6187.6 Ų87.643%0.42747%0.472SS..Hα-helixtrans-63.1-45.3178.4-580000111.9D6 L7 S8 Q12 I13 I14D6-S10 WeakPolarHBondContact O-CB 3.45Å; D6-S10 PolarHBondContact O-N 3.13Å; D6-S10 PolarHBondContact O-OG 3.41Å; L7-S10 PolarHBondContact O-N 3.44Å; S8-S10 VanDerWaalsContact C-N 3.31Å; S8-S10 PolarHBondContact O-N 3.45Å; S10-Q12 VanDerWaalsContact C-N 3.32Å; S10-Q12 PolarHBondContact O-N 2.88Å; S10-I13 PolarHBondContact O-N 3.31Å; S10-I14 WeakPolarHBondContact O-CG1 3.3Å; S10-I14 PolarHBondContact O-N 2.95Å; S10-I14 VanDerWaalsContact O-N 3.12Å
11I87.8Confident80.7Confident86 Ų8688.9 Ų88.944%0.44147%0.474SS..Hα-helixtrans-61.6-42.6176.3-67.8167.6000110.4L7 S8 I13 I14 V15L7-I11 HydrophobicContact CD1-CD1 4.32Å; L7-I11 HydrophobicContact CG-CD1 4.05Å; L7-I11 WeakPolarHBondContact O-CG1 3.37Å; L7-I11 PolarHBondContact O-N 3.45Å; L7-I11 VanDerWaalsContact O-N 3.08Å; S8-I11 PolarHBondContact O-N 3.13Å; I11-I13 VanDerWaalsContact C-N 3.35Å; I11-I13 PolarHBondContact O-N 3.32Å; I11-I14 PolarHBondContact O-N 2.93Å; I11-V15 HydrophobicContact CG2-CG2 4.12Å; I11-V15 WeakPolarHBondContact O-CB 3.45Å; I11-V15 VanDerWaalsContact O-CG2 3.26Å; I11-V15 WeakPolarHBondContact O-CG2 3.4Å; I11-V15 PolarHBondContact O-N 3.4Å
12Q88.6Confident82.8Confident35 Ų3579.6 Ų79.616%0.16443%0.43CS..Hα-helixtrans-61.3-42.2178.9-66179.620.900112.2S8 S9 S10 V15 T16 Y65S8-Q12 VanDerWaalsContact O-CG 3.26Å; S8-Q12 WeakPolarHBondContact O-CG 3.39Å; S8-Q12 PolarHBondContact O-N 3.35Å; S8-Q12 PolarHBondContact OG-NE2 3.12Å; S9-Q12 PolarHBondContact O-N 3.29Å; S10-Q12 VanDerWaalsContact C-N 3.32Å; S10-Q12 PolarHBondContact O-N 2.88Å; Q12-V15 PolarHBondContact O-N 3.11Å; Q12-T16 VanDerWaalsContact O-CB 3.3Å; Q12-T16 WeakPolarHBondContact O-CB 3.27Å; Q12-T16 PolarHBondContact O-N 3.36Å; Q12-T16 PolarHBondContact O-OG1 3.17Å; Q12-Y65 HydrophobicContact CB-CD1 3.88Å; Q12-Y65 HydrophobicContact CB-CE1 4.39Å; Q12-Y65 HydrophobicContact CG-CD1 3.53Å; Q12-Y65 HydrophobicContact CG-CE1 3.7Å
13I90.8Very high84.6Confident88 Ų8875.1 Ų75.145%0.45141%0.406SS..Hα-helixtrans-62.6-46.1177.6-68.8165.5000110.6S9 S10 I11 T16 T17 F69S9-I13 WeakPolarHBondContact O-CG1 3.21Å; S9-I13 PolarHBondContact O-N 2.87Å; S10-I13 PolarHBondContact O-N 3.31Å; I11-I13 VanDerWaalsContact C-N 3.35Å; I11-I13 PolarHBondContact O-N 3.32Å; I13-T16 PolarHBondContact O-N 3.29Å; I13-T17 WeakPolarHBondContact O-CB 3.41Å; I13-T17 PolarHBondContact O-N 3.03Å; I13-T17 PolarHBondContact O-OG1 3.43Å; I13-F69 HydrophobicContact CD1-CE2 4.47Å; I13-F69 HydrophobicContact CG1-CE2 4.32Å
14I93.9Very high86.5Confident108 Ų10871 Ų7155%0.55439%0.392SS*.Hα-helixtrans-60.6-51.7178.6-67.1166.4000110.1S10 I11 T16 T17 E18S10-I14 WeakPolarHBondContact O-CG1 3.3Å; S10-I14 PolarHBondContact O-N 2.95Å; S10-I14 VanDerWaalsContact O-N 3.12Å; I11-I14 PolarHBondContact O-N 2.93Å; I14-T16 VanDerWaalsContact C-N 3.31Å; I14-T16 PolarHBondContact O-N 2.89Å; I14-T17 PolarHBondContact O-N 3.45Å; I14-T17 VanDerWaalsContact O-N 3.15Å; I14-E18 PolarHBondContact O-N 3Å
15V92.5Very high88.1Confident45 Ų4570.4 Ų70.427%0.27338%0.384SS..Hα-helixtrans-63.4-37.5-178.2175.80000111.7I11 Q12 G19 T61 Y65I11-V15 HydrophobicContact CG2-CG2 4.12Å; I11-V15 WeakPolarHBondContact O-CB 3.45Å; I11-V15 VanDerWaalsContact O-CG2 3.26Å; I11-V15 WeakPolarHBondContact O-CG2 3.4Å; I11-V15 PolarHBondContact O-N 3.4Å; Q12-V15 PolarHBondContact O-N 3.11Å; V15-G19 PolarHBondContact O-N 2.95Å; V15-T61 HydrophobicContact CG1-CG2 3.47Å; V15-T61 VanDerWaalsContact CG1-CG2 3.47Å; V15-Y65 HydrophobicContact CB-CD2 4.29Å; V15-Y65 HydrophobicContact CB-CE2 4.17Å; V15-Y65 HydrophobicContact CG1-CD2 3.64Å; V15-Y65 HydrophobicContact CG1-CE2 3.42Å; V15-Y65 VanDerWaalsContact CG1-CE2 3.42Å
16T92.6Very high89.9Confident21 Ų2167.2 Ų67.213%0.12936%0.364CS..Hα-helixtrans-65.1-42.7175.4-56.20000111.3Q12 I13 I14 G19 I20 Y65 I66Q12-T16 VanDerWaalsContact O-CB 3.3Å; Q12-T16 WeakPolarHBondContact O-CB 3.27Å; Q12-T16 PolarHBondContact O-N 3.36Å; Q12-T16 PolarHBondContact O-OG1 3.17Å; I13-T16 PolarHBondContact O-N 3.29Å; I14-T16 VanDerWaalsContact C-N 3.31Å; I14-T16 PolarHBondContact O-N 2.89Å; T16-G19 PolarHBondContact O-N 3.34Å; T16-I20 HydrophobicContact CG2-CD1 4.1Å; T16-I20 WeakPolarHBondContact O-CG1 3.12Å; T16-I20 PolarHBondContact O-N 3.3Å; T16-Y65 WeakPolarHBondContact OG1-CB 3.44Å; T16-I66 HydrophobicContact CG2-CD1 4.16Å; T16-I66 HydrophobicContact CG2-CG1 3.75Å
17T94.8Very high91.6Very high84 Ų8466.9 Ų66.952%0.51536%0.362SS..Hα-helixtrans-64.7-46.2179.4-53.90000111I13 I14 G19 I20 F21I13-T17 WeakPolarHBondContact O-CB 3.41Å; I13-T17 PolarHBondContact O-N 3.03Å; I13-T17 PolarHBondContact O-OG1 3.43Å; I14-T17 PolarHBondContact O-N 3.45Å; I14-T17 VanDerWaalsContact O-N 3.15Å; T17-G19 VanDerWaalsContact C-N 3.32Å; T17-G19 PolarHBondContact O-N 3.37Å; T17-I20 PolarHBondContact O-N 2.95Å; T17-F21 WeakPolarHBondContact O-CB 3.43Å; T17-F21 PolarHBondContact O-N 2.73Å
18E95Very high93.1Very high121 Ų12165.4 Ų65.457%0.56536%0.358SS*.Hα-helixtrans-59.9-41.3173.1-75.2-61.8141.900111.8I14 I20 F21 G22I14-E18 PolarHBondContact O-N 3Å; E18-I20 PolarHBondContact O-N 3.12Å; E18-F21 PolarHBondContact O-N 2.9Å; E18-G22 PolarHBondContact O-N 3.09Å
19G94.7Very high94Very high4 Ų464.3 Ų64.34%0.04135%0.352CS..Hα-helixtrans-59.1-47.3174.500000112.4V15 T16 T17 G22 I23V15-G19 PolarHBondContact O-N 2.95Å; T16-G19 PolarHBondContact O-N 3.34Å; T17-G19 VanDerWaalsContact C-N 3.32Å; T17-G19 PolarHBondContact O-N 3.37Å; G19-G22 PolarHBondContact O-N 3.43Å; G19-I23 VanDerWaalsContact O-CG1 3.26Å; G19-I23 WeakPolarHBondContact O-CG1 3.28Å; G19-I23 PolarHBondContact O-N 3.39Å
20I95.4Very high94.8Very high84 Ų8464.2 Ų64.243%0.43135%0.347SS..Hα-helixtrans-63.5-45.1178-67.7166.7000111.1T16 T17 E18 I23 I24 A62T16-I20 HydrophobicContact CG2-CD1 4.1Å; T16-I20 WeakPolarHBondContact O-CG1 3.12Å; T16-I20 PolarHBondContact O-N 3.3Å; T17-I20 PolarHBondContact O-N 2.95Å; E18-I20 PolarHBondContact O-N 3.12Å; I20-I23 WeakPolarHBondContact O-CB 3.5Å; I20-I23 PolarHBondContact O-N 3.46Å; I20-I24 HydrophobicContact CG2-CD1 4.47Å; I20-I24 PolarHBondContact O-N 2.94Å; I20-A62 HydrophobicContact CG1-CB 4.42Å
21F97.6Very high95.3Very high116 Ų11665.6 Ų65.651%0.50935%0.353SS..Hα-helixtrans-63.1-43.6177.9-172.3-111.1000111.7T17 E18 I23 I24 L25T17-F21 WeakPolarHBondContact O-CB 3.43Å; T17-F21 PolarHBondContact O-N 2.73Å; E18-F21 PolarHBondContact O-N 2.9Å; F21-I23 VanDerWaalsContact C-N 3.32Å; F21-I23 PolarHBondContact O-N 3.37Å; F21-I24 PolarHBondContact O-N 3.48Å; F21-L25 HydrophobicContact CD1-CD1 3.75Å; F21-L25 HydrophobicContact CD1-CG 4.25Å; F21-L25 HydrophobicContact CE1-CD1 3.28Å; F21-L25 HydrophobicContact CE1-CD2 4.48Å; F21-L25 HydrophobicContact CE1-CG 3.94Å; F21-L25 HydrophobicContact CZ-CD1 3.83Å; F21-L25 HydrophobicContact CZ-CD2 4.2Å; F21-L25 HydrophobicContact CZ-CG 4.08Å; F21-L25 PolarHBondContact O-N 3.49Å
22G97.4Very high95.7Very high11 Ų1165.4 Ų65.411%0.11336%0.356CS..Hα-helixtrans-60.2-36.8175.100000113.3E18 G19 N26E18-G22 PolarHBondContact O-N 3.09Å; G19-G22 PolarHBondContact O-N 3.43Å; G22-N26 VanDerWaalsContact O-CB 3.3Å; G22-N26 WeakPolarHBondContact O-CB 3.15Å; G22-N26 PolarHBondContact O-N 2.95Å; G22-N26 PolarHBondContact O-ND2 3.05Å
23I97.9Very high96Very high34 Ų3464.7 Ų64.717%0.17435%0.354CS..Hα-helixtrans-59.3-49.1173.6-70.7161.2000110.6G19 I20 F21 N26 I27 L55 C58 F59 A62G19-I23 VanDerWaalsContact O-CG1 3.26Å; G19-I23 WeakPolarHBondContact O-CG1 3.28Å; G19-I23 PolarHBondContact O-N 3.39Å; I20-I23 WeakPolarHBondContact O-CB 3.5Å; I20-I23 PolarHBondContact O-N 3.46Å; F21-I23 VanDerWaalsContact C-N 3.32Å; F21-I23 PolarHBondContact O-N 3.37Å; I23-N26 PolarHBondContact O-N 3.44Å; I23-I27 HydrophobicContact CG2-CD1 3.78Å; I23-I27 VanDerWaalsContact O-CG1 3.28Å; I23-I27 WeakPolarHBondContact O-CG1 3.34Å; I23-I27 PolarHBondContact O-N 2.9Å; I23-L55 HydrophobicContact CB-CD1 4.06Å; I23-L55 HydrophobicContact CG1-CD1 4.17Å; I23-L55 HydrophobicContact CG2-CD1 3.82Å; I23-C58 HydrophobicContact CG1-CB 3.96Å; I23-F59 HydrophobicContact CD1-CB 4.28Å; I23-F59 HydrophobicContact CD1-CD2 4.1Å; I23-F59 HydrophobicContact CG1-CB 4.27Å; I23-A62 HydrophobicContact CD1-CB 4.15Å
24I98.1Very high96.2Very high98 Ų9865 Ų6550%0.50335%0.352SS..Hα-helixtrans-62.8-47.2-178-62.7167.5000110.6I20 F21 I27 T28I20-I24 HydrophobicContact CG2-CD1 4.47Å; I20-I24 PolarHBondContact O-N 2.94Å; F21-I24 PolarHBondContact O-N 3.48Å; I24-I27 PolarHBondContact O-N 3.34Å; I24-T28 PolarHBondContact O-N 3.08Å; I24-T28 VanDerWaalsContact O-N 3.09Å; I24-T28 PolarHBondContact O-OG1 2.99Å
25L98.1Very high96.2Very high88 Ų8865.5 Ų65.546%0.46136%0.361SS..Hα-helixtrans-63.2-42.5179-71-174.6000112.1F21 T28 A29F21-L25 HydrophobicContact CD1-CD1 3.75Å; F21-L25 HydrophobicContact CD1-CG 4.25Å; F21-L25 HydrophobicContact CE1-CD1 3.28Å; F21-L25 HydrophobicContact CE1-CD2 4.48Å; F21-L25 HydrophobicContact CE1-CG 3.94Å; F21-L25 HydrophobicContact CZ-CD1 3.83Å; F21-L25 HydrophobicContact CZ-CD2 4.2Å; F21-L25 HydrophobicContact CZ-CG 4.08Å; F21-L25 PolarHBondContact O-N 3.49Å; L25-T28 WeakPolarHBondContact O-CB 3.31Å; L25-T28 PolarHBondContact O-N 3.11Å; L25-A29 WeakPolarHBondContact O-CB 3.14Å; L25-A29 PolarHBondContact O-N 3.42Å
26N98Very high96.1Very high23 Ų2365.2 Ų65.212%0.12336%0.361CS..Hα-helixtrans-71.9-34-179.1-77.9-64.9000113G22 I23 T28 A29 I30 D54 L55G22-N26 VanDerWaalsContact O-CB 3.3Å; G22-N26 WeakPolarHBondContact O-CB 3.15Å; G22-N26 PolarHBondContact O-N 2.95Å; G22-N26 PolarHBondContact O-ND2 3.05Å; I23-N26 PolarHBondContact O-N 3.44Å; N26-T28 VanDerWaalsContact C-N 3.3Å; N26-T28 PolarHBondContact O-N 3.02Å; N26-A29 PolarHBondContact O-N 3.28Å; N26-I30 VanDerWaalsContact O-CG1 3.27Å; N26-I30 WeakPolarHBondContact O-CG1 3.41Å; N26-I30 PolarHBondContact O-N 2.99Å; N26-D54 VanDerWaalsContact OD1-CB 3.25Å; N26-D54 WeakPolarHBondContact OD1-CB 3.42Å; N26-L55 HydrophobicContact CB-CB 3.78Å; N26-L55 HydrophobicContact CB-CD1 4.24Å
27I98.1Very high95.9Very high87 Ų8772.8 Ų72.845%0.44639%0.394SS..Hα-helixtrans-60.7-43.6169.9-70.8167.7000110.5I23 I24 I30 T31 L55I23-I27 HydrophobicContact CG2-CD1 3.78Å; I23-I27 VanDerWaalsContact O-CG1 3.28Å; I23-I27 WeakPolarHBondContact O-CG1 3.34Å; I23-I27 PolarHBondContact O-N 2.9Å; I24-I27 PolarHBondContact O-N 3.34Å; I27-I30 PolarHBondContact O-N 3.26Å; I27-T31 PolarHBondContact O-N 3.16Å; I27-T31 VanDerWaalsContact O-N 3.13Å; I27-T31 PolarHBondContact O-OG1 3.12Å; I27-L55 HydrophobicContact CD1-CD1 4.38Å; I27-L55 HydrophobicContact CG1-CD1 3.91Å; I27-L55 HydrophobicContact CG1-CD2 4.07Å
28T97.6Very high95.5Very high80 Ų8071.7 Ų71.749%0.49138%0.382SS..Hα-helixtrans-62.2-45.9176.2-540000110.6I24 L25 N26 I30 T31 V32I24-T28 PolarHBondContact O-N 3.08Å; I24-T28 VanDerWaalsContact O-N 3.09Å; I24-T28 PolarHBondContact O-OG1 2.99Å; L25-T28 WeakPolarHBondContact O-CB 3.31Å; L25-T28 PolarHBondContact O-N 3.11Å; N26-T28 VanDerWaalsContact C-N 3.3Å; N26-T28 PolarHBondContact O-N 3.02Å; T28-I30 PolarHBondContact O-N 3.21Å; T28-T31 WeakPolarHBondContact O-CB 3.45Å; T28-T31 PolarHBondContact O-N 3.36Å; T28-T31 VanDerWaalsContact O-N 3.16Å; T28-V32 PolarHBondContact O-N 3.19Å; T28-V32 VanDerWaalsContact O-N 3.12Å
29A97.4Very high95Very high33 Ų3370 Ų7027%0.27340%0.397SS..Hα-helixtrans-61.3-43177.500000112.2L25 N26 T31 V32 V33 P51L25-A29 WeakPolarHBondContact O-CB 3.14Å; L25-A29 PolarHBondContact O-N 3.42Å; N26-A29 PolarHBondContact O-N 3.28Å; A29-T31 VanDerWaalsContact C-N 3.28Å; A29-T31 PolarHBondContact O-N 3.48Å; A29-V32 PolarHBondContact O-N 3.32Å; A29-V33 WeakPolarHBondContact O-CB 3.39Å; A29-V33 WeakPolarHBondContact O-CG2 3.5Å; A29-V33 PolarHBondContact O-N 2.84Å; A29-P51 HydrophobicContact CB-CB 3.82Å; A29-P51 HydrophobicContact CB-CG 4.47Å
30I97.8Very high94.7Very high41 Ų4172.4 Ų72.421%0.2141%0.414CS..Hα-helixtrans-54.6-48.4173.6-72.9165.5000109.8N26 I27 T28 V32 V33 F34 P51 I52 L55N26-I30 VanDerWaalsContact O-CG1 3.27Å; N26-I30 WeakPolarHBondContact O-CG1 3.41Å; N26-I30 PolarHBondContact O-N 2.99Å; I27-I30 PolarHBondContact O-N 3.26Å; T28-I30 PolarHBondContact O-N 3.21Å; I30-V32 VanDerWaalsContact C-N 3.31Å; I30-V32 PolarHBondContact O-N 3.37Å; I30-V33 PolarHBondContact O-N 3.13Å; I30-F34 HydrophobicContact CG2-CD2 3.76Å; I30-F34 HydrophobicContact CG2-CE2 3.96Å; I30-F34 VanDerWaalsContact O-CB 3.3Å; I30-F34 WeakPolarHBondContact O-CB 3.27Å; I30-F34 WeakPolarHBondContact O-CD2 3.2Å; I30-F34 PolarHBondContact O-N 3.15Å; I30-P51 HydrophobicContact CG1-CB 3.89Å; I30-P51 HydrophobicContact CG1-CG 3.84Å; I30-I52 HydrophobicContact CD1-CG1 4.03Å; I30-I52 HydrophobicContact CG1-CG1 4.17Å; I30-L55 HydrophobicContact CD1-CB 4.47Å; I30-L55 HydrophobicContact CD1-CD2 3.67Å
31T96.4Very high94.5Very high90 Ų9077.7 Ų77.755%0.55243%0.434SS*.Hα-helixtrans-58.4-42.6-179.6-52.30000112.1I27 T28 A29 T35I27-T31 PolarHBondContact O-N 3.16Å; I27-T31 VanDerWaalsContact O-N 3.13Å; I27-T31 PolarHBondContact O-OG1 3.12Å; T28-T31 WeakPolarHBondContact O-CB 3.45Å; T28-T31 PolarHBondContact O-N 3.36Å; T28-T31 VanDerWaalsContact O-N 3.16Å; A29-T31 VanDerWaalsContact C-N 3.28Å; A29-T31 PolarHBondContact O-N 3.48Å; T31-T35 WeakPolarHBondContact O-CG2 3.48Å; T31-T35 PolarHBondContact O-OG1 3.19Å; T31-T35 VanDerWaalsContact O-OG1 3.11Å
32V96.4Very high94.2Very high82 Ų8277.4 Ų77.450%0.49743%0.432SS..Hα-helixtrans-72.2-45.7179.5175.80000112.2T28 A29 I30 F34 T35 S36T28-V32 PolarHBondContact O-N 3.19Å; T28-V32 VanDerWaalsContact O-N 3.12Å; A29-V32 PolarHBondContact O-N 3.32Å; I30-V32 VanDerWaalsContact C-N 3.31Å; I30-V32 PolarHBondContact O-N 3.37Å; V32-F34 VanDerWaalsContact C-N 3.35Å; V32-F34 PolarHBondContact O-N 2.85Å; V32-T35 PolarHBondContact O-N 3.13Å; V32-T35 PolarHBondContact O-OG1 3.32Å; V32-S36 WeakPolarHBondContact O-CB 3.42Å; V32-S36 PolarHBondContact O-N 3.13Å; V32-S36 PolarHBondContact O-OG 2.84Å
33V95.8Very high94Very high20 Ų2077 Ų7712%0.12143%0.428CS..Hα-helixtrans-74-29.8-173.6-179.30000111.2A29 I30 T35 S36 F38 F47 R48A29-V33 WeakPolarHBondContact O-CB 3.39Å; A29-V33 WeakPolarHBondContact O-CG2 3.5Å; A29-V33 PolarHBondContact O-N 2.84Å; I30-V33 PolarHBondContact O-N 3.13Å; V33-T35 VanDerWaalsContact C-N 3.34Å; V33-S36 PolarHBondContact O-N 2.83Å; V33-F38 HydrophobicContact CB-CE2 4.34Å; V33-F38 HydrophobicContact CG1-CD2 4.41Å; V33-F38 HydrophobicContact CG1-CE2 3.64Å; V33-F38 HydrophobicContact CG1-CZ 4.39Å; V33-F47 HydrophobicContact CG1-CB 3.99Å; V33-F47 WeakPolarHBondContact CG1-O 3.39Å; V33-R48 HydrophobicContact CG1-CB 4.28Å; V33-R48 HydrophobicContact CG1-CG 3.56Å; V33-R48 PolarHBondContact O-NE 2.88Å
34F94.6Very high93.8Very high96 Ų9676.1 Ų76.142%0.42142%0.424SS..Hα-helixtrans-74-24.7176-86.4-104.9000113.6I30 V32 S36 R48 I52I30-F34 HydrophobicContact CG2-CD2 3.76Å; I30-F34 HydrophobicContact CG2-CE2 3.96Å; I30-F34 VanDerWaalsContact O-CB 3.3Å; I30-F34 WeakPolarHBondContact O-CB 3.27Å; I30-F34 WeakPolarHBondContact O-CD2 3.2Å; I30-F34 PolarHBondContact O-N 3.15Å; V32-F34 VanDerWaalsContact C-N 3.35Å; V32-F34 PolarHBondContact O-N 2.85Å; F34-S36 VanDerWaalsContact C-N 3.33Å; F34-R48 HydrophobicContact CD2-CB 4.35Å; F34-R48 HydrophobicContact CD2-CG 4Å; F34-R48 HydrophobicContact CE2-CB 3.78Å; F34-R48 HydrophobicContact CE2-CG 3.94Å; F34-R48 HydrophobicContact CG-CG 4.46Å; F34-R48 HydrophobicContact CZ-CB 4.04Å; F34-R48 HydrophobicContact CZ-CG 4.31Å; F34-R48 PolarHBondContact O-NH2 3.02Å; F34-R48 VanDerWaalsContact O-NH2 3.12Å; F34-I52 HydrophobicContact CE2-CD1 4.05Å; F34-I52 HydrophobicContact CZ-CD1 3.9Å
35T93.9Very high93.7Very high118 Ų11877.8 Ų77.872%0.72443%0.428SS*.Hα-helixtrans-85.1-8.817354.10000113T31 V32 V33T31-T35 WeakPolarHBondContact O-CG2 3.48Å; T31-T35 PolarHBondContact O-OG1 3.19Å; T31-T35 VanDerWaalsContact O-OG1 3.11Å; V32-T35 PolarHBondContact O-N 3.13Å; V32-T35 PolarHBondContact O-OG1 3.32Å; V33-T35 VanDerWaalsContact C-N 3.34Å
36S91Very high93.6Very high39 Ų3973.7 Ų73.727%0.27341%0.406SS..  trans-105152-177.3-59.40000112.5V32 V33 F34 F38 R48V32-S36 WeakPolarHBondContact O-CB 3.42Å; V32-S36 PolarHBondContact O-N 3.13Å; V32-S36 PolarHBondContact O-OG 2.84Å; V33-S36 PolarHBondContact O-N 2.83Å; F34-S36 VanDerWaalsContact C-N 3.33Å; S36-F38 VanDerWaalsContact CB-CE2 3.47Å; S36-R48 PolarHBondContact O-NH2 3.09Å
37Q88.6Confident93.5Very high179 Ų17975 Ų7584%0.83641%0.411SS*.  trans-115127.5167.2-74.1-172.2-5.900109.5
38F84.7Confident93.4Very high61 Ų6174.2 Ų74.227%0.26840%0.402SS..  trans-112.392.5-177.1-61.3-83.4000109.4V33 S36 S40 T43 T44 F47V33-F38 HydrophobicContact CB-CE2 4.34Å; V33-F38 HydrophobicContact CG1-CD2 4.41Å; V33-F38 HydrophobicContact CG1-CE2 3.64Å; V33-F38 HydrophobicContact CG1-CZ 4.39Å; S36-F38 VanDerWaalsContact CB-CE2 3.47Å; F38-S40 PolarHBondContact O-N 3.3Å; F38-T43 HydrophobicContact CB-CG2 3.71Å; F38-T43 WeakPolarHBondContact O-CB 3.38Å; F38-T43 WeakPolarHBondContact O-CG2 3.02Å; F38-T44 PolarHBondContact N-OG1 3.47Å; F38-T44 PolarHBondContact O-OG1 2.88Å; F38-T44 VanDerWaalsContact O-OG1 3.13Å; F38-F47 HydrophobicContact CB-CD2 4.16Å; F38-F47 HydrophobicContact CD2-CB 4.02Å; F38-F47 HydrophobicContact CD2-CG 4.33Å; F38-F47 HydrophobicContact CE2-CB 4.32Å; F38-F47 HydrophobicContact CG-CD2 4.2Å; F38-F47 HydrophobicContact CG-CG 4.35Å
39G85.1Confident93.3Very high85 Ų8570.8 Ų70.888%0.87638%0.383SS*.SBendtrans54-106.517400000113.3
40S89.3Confident93.3Very high55 Ų5570.1 Ų70.139%0.38537%0.374SS..SBendtrans-80.6162.9-179.185.70000113.1F38 F42 T43 T44F38-S40 PolarHBondContact O-N 3.3Å; S40-F42 VanDerWaalsContact C-N 3.3Å; S40-F42 PolarHBondContact O-N 2.95Å; S40-F42 PolarHBondContact OG-N 3.5Å; S40-T43 PolarHBondContact O-N 2.83Å; S40-T43 WeakPolarHBondContact OG-CB 3.43Å; S40-T43 PolarHBondContact OG-N 3.37Å; S40-T43 PolarHBondContact OG-OG1 3.45Å; S40-T44 PolarHBondContact O-N 2.92Å; S40-T44 PolarHBondContact O-OG1 3.23Å
41K91.4Very high93.3Very high195 Ų19568.4 Ų68.485%0.84837%0.365SS*.Hα-helixtrans-59.9-40.8172.6-68.7-176.4-179.9178.50112T44 F45K41-T44 PolarHBondContact O-N 3.01Å; K41-F45 WeakPolarHBondContact O-CB 3.38Å; K41-F45 PolarHBondContact O-N 3.39Å
42F91.1Very high93.4Very high111 Ų11167.3 Ų67.349%0.48736%0.355SS..Hα-helixtrans-65.5-48.4179.2178-102.7000111.3S40 T44 F45 V46 D113S40-F42 VanDerWaalsContact C-N 3.3Å; S40-F42 PolarHBondContact O-N 2.95Å; S40-F42 PolarHBondContact OG-N 3.5Å; F42-T44 VanDerWaalsContact C-N 3.32Å; F42-T44 PolarHBondContact O-N 3.48Å; F42-F45 WeakPolarHBondContact O-CB 3.45Å; F42-F45 PolarHBondContact O-N 2.95Å; F42-F45 VanDerWaalsContact O-N 3.09Å; F42-V46 HydrophobicContact CD1-CG1 4.48Å; F42-V46 HydrophobicContact CE1-CG1 3.94Å; F42-V46 HydrophobicContact CE2-CG1 3.97Å; F42-V46 HydrophobicContact CZ-CG1 3.65Å; F42-V46 PolarHBondContact O-N 3.2Å; F42-D113 HydrophobicContact CE1-CB 4.48Å
43T93.3Very high93.4Very high2 Ų265.9 Ų65.91%0.01234%0.342CS..Hα-helixtrans-52.6-51.3173.7-55.10000110.8F38 S40 F45 V46 F47 D113F38-T43 HydrophobicContact CB-CG2 3.71Å; F38-T43 WeakPolarHBondContact O-CB 3.38Å; F38-T43 WeakPolarHBondContact O-CG2 3.02Å; S40-T43 PolarHBondContact O-N 2.83Å; S40-T43 WeakPolarHBondContact OG-CB 3.43Å; S40-T43 PolarHBondContact OG-N 3.37Å; S40-T43 PolarHBondContact OG-OG1 3.45Å; T43-F45 VanDerWaalsContact C-N 3.28Å; T43-F45 PolarHBondContact O-N 3.48Å; T43-V46 WeakPolarHBondContact O-CG2 3.47Å; T43-V46 PolarHBondContact O-N 3.2Å; T43-F47 HydrophobicContact CG2-CD2 3.68Å; T43-F47 HydrophobicContact CG2-CE2 3.76Å; T43-F47 VanDerWaalsContact O-CD2 3.28Å; T43-F47 WeakPolarHBondContact O-CD2 3.42Å; T43-F47 PolarHBondContact O-N 2.94Å; T43-D113 WeakPolarHBondContact CG2-OD2 3.43Å; T43-D113 VanDerWaalsContact OG1-CG 3.29Å; T43-D113 PolarHBondContact OG1-OD1 2.92Å; T43-D113 PolarHBondContact OG1-OD2 3.02Å; T43-D113 VanDerWaalsContact OG1-OD2 3.12Å
44T93.7Very high93.5Very high15 Ų1566.9 Ų66.99%0.09235%0.347CS..Hα-helixtrans-61.1-39179.6-590000111.7F38 S40 K41 F42 R48F38-T44 PolarHBondContact N-OG1 3.47Å; F38-T44 PolarHBondContact O-OG1 2.88Å; F38-T44 VanDerWaalsContact O-OG1 3.13Å; S40-T44 PolarHBondContact O-N 2.92Å; S40-T44 PolarHBondContact O-OG1 3.23Å; K41-T44 PolarHBondContact O-N 3.01Å; F42-T44 VanDerWaalsContact C-N 3.32Å; F42-T44 PolarHBondContact O-N 3.48Å; T44-R48 HydrophobicContact CG2-CG 4.49Å; T44-R48 WeakPolarHBondContact O-CB 3.27Å; T44-R48 VanDerWaalsContact O-CG 3.27Å; T44-R48 WeakPolarHBondContact O-CG 3.23Å; T44-R48 PolarHBondContact O-N 3.39Å
45F95Very high93.6Very high133 Ų13364 Ų6458%0.58334%0.336SS*.Hα-helixtrans-61.3-51.2175.7171.6-96.1000112K41 F42 T43 F47 R48 A49K41-F45 WeakPolarHBondContact O-CB 3.38Å; K41-F45 PolarHBondContact O-N 3.39Å; F42-F45 WeakPolarHBondContact O-CB 3.45Å; F42-F45 PolarHBondContact O-N 2.95Å; F42-F45 VanDerWaalsContact O-N 3.09Å; T43-F45 VanDerWaalsContact C-N 3.28Å; T43-F45 PolarHBondContact O-N 3.48Å; F45-F47 VanDerWaalsContact C-N 3.35Å; F45-F47 PolarHBondContact O-N 3.45Å; F45-R48 PolarHBondContact O-N 2.99Å; F45-A49 WeakPolarHBondContact O-CB 3.41Å; F45-A49 PolarHBondContact O-N 3.48Å
46V95.5Very high93.7Very high2 Ų260.6 Ų60.61%0.01232%0.317CS..Hα-helixtrans-65.1-38.2-178.9-63.60000112F42 T43 R48 A49 Q50 N106 C109 I110F42-V46 HydrophobicContact CD1-CG1 4.48Å; F42-V46 HydrophobicContact CE1-CG1 3.94Å; F42-V46 HydrophobicContact CE2-CG1 3.97Å; F42-V46 HydrophobicContact CZ-CG1 3.65Å; F42-V46 PolarHBondContact O-N 3.2Å; T43-V46 WeakPolarHBondContact O-CG2 3.47Å; T43-V46 PolarHBondContact O-N 3.2Å; V46-R48 VanDerWaalsContact C-N 3.34Å; V46-R48 PolarHBondContact O-N 3.39Å; V46-A49 PolarHBondContact O-N 3.26Å; V46-Q50 PolarHBondContact O-N 3.4Å; V46-Q50 VanDerWaalsContact O-N 3.13Å; V46-N106 PolarHBondContact O-ND2 3.35Å; V46-C109 HydrophobicContact CG1-CB 4.22Å; V46-I110 HydrophobicContact CB-CG1 3.91Å; V46-I110 HydrophobicContact CG2-CG1 3.69Å
47F95.9Very high93.9Very high52 Ų5259.2 Ų59.223%0.22831%0.308CS..Hα-helixtrans-63.9-38.1174.6-88.7-75.9000112.2V33 F38 T43 F45 P51 I110V33-F47 HydrophobicContact CG1-CB 3.99Å; V33-F47 WeakPolarHBondContact CG1-O 3.39Å; F38-F47 HydrophobicContact CB-CD2 4.16Å; F38-F47 HydrophobicContact CD2-CB 4.02Å; F38-F47 HydrophobicContact CD2-CG 4.33Å; F38-F47 HydrophobicContact CE2-CB 4.32Å; F38-F47 HydrophobicContact CG-CD2 4.2Å; F38-F47 HydrophobicContact CG-CG 4.35Å; T43-F47 HydrophobicContact CG2-CD2 3.68Å; T43-F47 HydrophobicContact CG2-CE2 3.76Å; T43-F47 VanDerWaalsContact O-CD2 3.28Å; T43-F47 WeakPolarHBondContact O-CD2 3.42Å; T43-F47 PolarHBondContact O-N 2.94Å; F45-F47 VanDerWaalsContact C-N 3.35Å; F45-F47 PolarHBondContact O-N 3.45Å; F47-P51 WeakPolarHBondContact O-CD 3.36Å; F47-I110 HydrophobicContact CE1-CG2 4.43Å; F47-I110 HydrophobicContact CE2-CG2 4.39Å; F47-I110 HydrophobicContact CZ-CG2 4Å
48R96.2Very high94.2Very high69 Ų6952 Ų5226%0.2628%0.277SS..Hα-helixtrans-73.3-34.7177.5-74.5176.9-176.1-175.60.2113.2V33 F34 S36 T44 F45 V46 P51 I52V33-R48 HydrophobicContact CG1-CB 4.28Å; V33-R48 HydrophobicContact CG1-CG 3.56Å; V33-R48 PolarHBondContact O-NE 2.88Å; F34-R48 HydrophobicContact CD2-CB 4.35Å; F34-R48 HydrophobicContact CD2-CG 4Å; F34-R48 HydrophobicContact CE2-CB 3.78Å; F34-R48 HydrophobicContact CE2-CG 3.94Å; F34-R48 HydrophobicContact CG-CG 4.46Å; F34-R48 HydrophobicContact CZ-CB 4.04Å; F34-R48 HydrophobicContact CZ-CG 4.31Å; F34-R48 PolarHBondContact O-NH2 3.02Å; F34-R48 VanDerWaalsContact O-NH2 3.12Å; S36-R48 PolarHBondContact O-NH2 3.09Å; T44-R48 HydrophobicContact CG2-CG 4.49Å; T44-R48 WeakPolarHBondContact O-CB 3.27Å; T44-R48 VanDerWaalsContact O-CG 3.27Å; T44-R48 WeakPolarHBondContact O-CG 3.23Å; T44-R48 PolarHBondContact O-N 3.39Å; F45-R48 PolarHBondContact O-N 2.99Å; V46-R48 VanDerWaalsContact C-N 3.34Å; V46-R48 PolarHBondContact O-N 3.39Å; R48-P51 WeakPolarHBondContact O-CD 3.48Å; R48-I52 WeakPolarHBondContact O-CD1 3.49Å; R48-I52 WeakPolarHBondContact O-CG1 3.44Å
49A96.6Very high94.7Very high9 Ų954.1 Ų54.17%0.07429%0.286CS..Hα-helixtrans-68.7-35.2178.300000112F45 V46 I52 F53F45-A49 WeakPolarHBondContact O-CB 3.41Å; F45-A49 PolarHBondContact O-N 3.48Å; V46-A49 PolarHBondContact O-N 3.26Å; A49-I52 WeakPolarHBondContact O-CB 3.42Å; A49-I52 PolarHBondContact O-N 2.83Å; A49-I52 VanDerWaalsContact O-N 3.13Å; A49-F53 HydrophobicContact CB-CD2 4.3Å; A49-F53 HydrophobicContact CB-CE2 3.71Å; A49-F53 HydrophobicContact CB-CZ 4.09Å; A49-F53 WeakPolarHBondContact O-CD2 3.5Å; A49-F53 WeakPolarHBondContact O-CG 3.36Å; A49-F53 PolarHBondContact O-N 2.98Å
50Q97.8Very high95.1Very high18 Ų1851.1 Ų51.18%0.08425%0.25CS..Hα-helixtrans-52.4-59.8-177-172.661.936.200113.7V46 I52 F53 D54 S103 N106 I110V46-Q50 PolarHBondContact O-N 3.4Å; V46-Q50 VanDerWaalsContact O-N 3.13Å; Q50-I52 PolarHBondContact O-N 3.47Å; Q50-F53 PolarHBondContact O-N 2.92Å; Q50-F53 VanDerWaalsContact O-N 3.15Å; Q50-D54 PolarHBondContact NE2-OD1 3.03Å; Q50-D54 PolarHBondContact NE2-OD2 2.94Å; Q50-D54 PolarHBondContact O-N 3.38Å; Q50-S103 PolarHBondContact NE2-OG 2.94Å; Q50-S103 PolarHBondContact OE1-O 3.45Å; Q50-N106 WeakPolarHBondContact CA-ND2 3.29Å; Q50-N106 WeakPolarHBondContact CB-ND2 3.34Å; Q50-N106 PolarHBondContact N-ND2 3.3Å; Q50-N106 PolarHBondContact OE1-ND2 3Å; Q50-I110 HydrophobicContact CB-CD1 4.09Å; Q50-I110 HydrophobicContact CG-CD1 4.26Å
51P97.8Very high95.1Very high6 Ų649.4 Ų49.44%0.03924%0.237CC..Hα-helixtrans-69.4-18.3-177.332.2-39.4000112.6A29 I30 F47 R48 L55A29-P51 HydrophobicContact CB-CB 3.82Å; A29-P51 HydrophobicContact CB-CG 4.47Å; I30-P51 HydrophobicContact CG1-CB 3.89Å; I30-P51 HydrophobicContact CG1-CG 3.84Å; F47-P51 WeakPolarHBondContact O-CD 3.36Å; R48-P51 WeakPolarHBondContact O-CD 3.48Å; P51-L55 WeakPolarHBondContact O-CB 3.29Å; P51-L55 PolarHBondContact O-N 2.91Å
52I97.7Very high95.2Very high66 Ų6640.3 Ų40.334%0.33820%0.198SC..Hα-helixtrans-71.5-44.8172.7-63.2172000110.4I30 F34 R48 A49 Q50 S56I30-I52 HydrophobicContact CD1-CG1 4.03Å; I30-I52 HydrophobicContact CG1-CG1 4.17Å; F34-I52 HydrophobicContact CE2-CD1 4.05Å; F34-I52 HydrophobicContact CZ-CD1 3.9Å; R48-I52 WeakPolarHBondContact O-CD1 3.49Å; R48-I52 WeakPolarHBondContact O-CG1 3.44Å; A49-I52 WeakPolarHBondContact O-CB 3.42Å; A49-I52 PolarHBondContact O-N 2.83Å; A49-I52 VanDerWaalsContact O-N 3.13Å; Q50-I52 PolarHBondContact O-N 3.47Å; I52-S56 WeakPolarHBondContact O-CB 3.41Å; I52-S56 PolarHBondContact O-N 3.44Å; I52-S56 PolarHBondContact O-OG 3.24Å
53F97.2Very high95.1Very high52 Ų5238 Ų3823%0.22819%0.19CC..Hα-helixtrans-67-43176.6-60.2-35.2000111.3A49 Q50 S56 A57 L102 N106A49-F53 HydrophobicContact CB-CD2 4.3Å; A49-F53 HydrophobicContact CB-CE2 3.71Å; A49-F53 HydrophobicContact CB-CZ 4.09Å; A49-F53 WeakPolarHBondContact O-CD2 3.5Å; A49-F53 WeakPolarHBondContact O-CG 3.36Å; A49-F53 PolarHBondContact O-N 2.98Å; Q50-F53 PolarHBondContact O-N 2.92Å; Q50-F53 VanDerWaalsContact O-N 3.15Å; F53-S56 WeakPolarHBondContact O-CB 3.06Å; F53-S56 PolarHBondContact O-N 3.49Å; F53-A57 PolarHBondContact O-N 3Å; F53-L102 HydrophobicContact CB-CB 4.48Å; F53-L102 HydrophobicContact CD1-CB 4.08Å; F53-L102 HydrophobicContact CD1-CD1 4.28Å; F53-L102 HydrophobicContact CD2-CB 4.06Å; F53-L102 HydrophobicContact CE1-CB 4.31Å; F53-L102 HydrophobicContact CE1-CD1 4.14Å; F53-L102 HydrophobicContact CE2-CB 4.28Å; F53-L102 HydrophobicContact CG-CB 3.96Å; F53-L102 HydrophobicContact CZ-CB 4.41Å; F53-N106 HydrophobicContact CD2-CB 4.01Å; F53-N106 HydrophobicContact CE2-CB 4.07Å
54D97.2Very high94.7Very high41 Ų4140.2 Ų40.222%0.21920%0.199CC..Hα-helixtrans-64.1-43.4176.7-67.7-24.3000111.6N26 Q50 S56 A57 C58 S103N26-D54 VanDerWaalsContact OD1-CB 3.25Å; N26-D54 WeakPolarHBondContact OD1-CB 3.42Å; Q50-D54 PolarHBondContact NE2-OD1 3.03Å; Q50-D54 PolarHBondContact NE2-OD2 2.94Å; Q50-D54 PolarHBondContact O-N 3.38Å; D54-S56 VanDerWaalsContact C-N 3.31Å; D54-S56 PolarHBondContact O-N 2.91Å; D54-A57 PolarHBondContact O-N 3.4Å; D54-C58 WeakPolarHBondContact O-CB 3.34Å; D54-C58 PolarHBondContact O-N 2.89Å; D54-C58 PolarHBondContact O-SG 2.95Å; D54-C58 VanDerWaalsContact O-SG 3.34Å; D54-S103 WeakPolarHBondContact OD1-CB 3.42Å; D54-S103 PolarHBondContact OD1-OG 3.08Å
55L97.5Very high94.3Very high37 Ų3742 Ų4219%0.19420%0.204CC..Hα-helixtrans-56.9-46.8173178.761000111.3I23 N26 I27 I30 P51 A57 C58 F59I23-L55 HydrophobicContact CB-CD1 4.06Å; I23-L55 HydrophobicContact CG1-CD1 4.17Å; I23-L55 HydrophobicContact CG2-CD1 3.82Å; N26-L55 HydrophobicContact CB-CB 3.78Å; N26-L55 HydrophobicContact CB-CD1 4.24Å; I27-L55 HydrophobicContact CD1-CD1 4.38Å; I27-L55 HydrophobicContact CG1-CD1 3.91Å; I27-L55 HydrophobicContact CG1-CD2 4.07Å; I30-L55 HydrophobicContact CD1-CB 4.47Å; I30-L55 HydrophobicContact CD1-CD2 3.67Å; P51-L55 WeakPolarHBondContact O-CB 3.29Å; P51-L55 PolarHBondContact O-N 2.91Å; L55-A57 VanDerWaalsContact C-N 3.35Å; L55-A57 PolarHBondContact O-N 3.42Å; L55-C58 PolarHBondContact O-N 3.45Å; L55-F59 WeakPolarHBondContact O-CB 3.28Å; L55-F59 PolarHBondContact O-N 2.97Å
56S95.7Very high94Very high45 Ų4539.3 Ų39.332%0.31520%0.195SC..Hα-helixtrans-62-44.2-179.9-57.70000111I52 F53 D54 F59 I60I52-S56 WeakPolarHBondContact O-CB 3.41Å; I52-S56 PolarHBondContact O-N 3.44Å; I52-S56 PolarHBondContact O-OG 3.24Å; F53-S56 WeakPolarHBondContact O-CB 3.06Å; F53-S56 PolarHBondContact O-N 3.49Å; D54-S56 VanDerWaalsContact C-N 3.31Å; D54-S56 PolarHBondContact O-N 2.91Å; S56-F59 PolarHBondContact O-N 3.27Å; S56-I60 WeakPolarHBondContact O-CB 3.3Å; S56-I60 WeakPolarHBondContact O-CD1 3.33Å; S56-I60 WeakPolarHBondContact O-CG1 3.44Å; S56-I60 PolarHBondContact O-N 2.77Å
57A94.8Very high93.3Very high11 Ų1142.3 Ų42.39%0.09121%0.211CC..Hα-helixtrans-61.3-50.4176.700000111.6F53 D54 L55 F59 I60 T61 P99F53-A57 PolarHBondContact O-N 3Å; D54-A57 PolarHBondContact O-N 3.4Å; L55-A57 VanDerWaalsContact C-N 3.35Å; L55-A57 PolarHBondContact O-N 3.42Å; A57-F59 VanDerWaalsContact C-N 3.34Å; A57-F59 PolarHBondContact O-N 2.96Å; A57-I60 PolarHBondContact O-N 3.37Å; A57-T61 VanDerWaalsContact O-CB 3.25Å; A57-T61 WeakPolarHBondContact O-CB 3.43Å; A57-T61 PolarHBondContact O-N 2.8Å; A57-T61 PolarHBondContact O-OG1 2.85Å; A57-P99 HydrophobicContact CB-CB 4.03Å; A57-P99 HydrophobicContact CB-CG 4.17Å
58C95.8Very high92.6Very high27 Ų2742.4 Ų42.418%0.18221%0.212CC..Hα-helixtrans-61.4-41.9178.2-69.50000112I23 D54 L55 T61 A62I23-C58 HydrophobicContact CG1-CB 3.96Å; D54-C58 WeakPolarHBondContact O-CB 3.34Å; D54-C58 PolarHBondContact O-N 2.89Å; D54-C58 PolarHBondContact O-SG 2.95Å; D54-C58 VanDerWaalsContact O-SG 3.34Å; L55-C58 PolarHBondContact O-N 3.45Å; C58-T61 PolarHBondContact O-N 2.86Å; C58-A62 WeakPolarHBondContact O-CB 3.25Å; C58-A62 PolarHBondContact O-N 2.85Å
59F94.9Very high91.8Very high105 Ų10545.3 Ų45.346%0.46123%0.226SC..Hα-helixtrans-63.5-50.8178.8-177.3-101.1000112.4I23 L55 S56 A57 T61 A62 I63I23-F59 HydrophobicContact CD1-CB 4.28Å; I23-F59 HydrophobicContact CD1-CD2 4.1Å; I23-F59 HydrophobicContact CG1-CB 4.27Å; L55-F59 WeakPolarHBondContact O-CB 3.28Å; L55-F59 PolarHBondContact O-N 2.97Å; S56-F59 PolarHBondContact O-N 3.27Å; A57-F59 VanDerWaalsContact C-N 3.34Å; A57-F59 PolarHBondContact O-N 2.96Å; F59-T61 VanDerWaalsContact C-N 3.3Å; F59-T61 PolarHBondContact O-N 3.29Å; F59-A62 PolarHBondContact O-N 3.24Å; F59-I63 HydrophobicContact CD1-CD1 4.23Å; F59-I63 HydrophobicContact CE1-CD1 3.48Å; F59-I63 VanDerWaalsContact CE1-CD1 3.48Å; F59-I63 HydrophobicContact CE1-CG1 4.38Å; F59-I63 HydrophobicContact CE2-CD1 3.94Å; F59-I63 HydrophobicContact CE2-CG1 4.45Å; F59-I63 HydrophobicContact CZ-CD1 3.32Å; F59-I63 HydrophobicContact CZ-CG1 4.25Å; F59-I63 PolarHBondContact O-N 2.95Å
60I92Very high90.9Very high23 Ų2349.3 Ų49.312%0.11825%0.25CS..Hα-helixtrans-63.6-40179.2-69.6157.1000110.5S56 A57 Y64 W90 L95 F96 P99S56-I60 WeakPolarHBondContact O-CB 3.3Å; S56-I60 WeakPolarHBondContact O-CD1 3.33Å; S56-I60 WeakPolarHBondContact O-CG1 3.44Å; S56-I60 PolarHBondContact O-N 2.77Å; A57-I60 PolarHBondContact O-N 3.37Å; I60-Y64 WeakPolarHBondContact O-CB 3.48Å; I60-Y64 PolarHBondContact O-N 3.46Å; I60-W90 HydrophobicContact CG2-CH2 4.43Å; I60-L95 HydrophobicContact CD1-CD2 3.42Å; I60-L95 VanDerWaalsContact CD1-CD2 3.42Å; I60-L95 HydrophobicContact CG1-CD2 4.13Å; I60-F96 HydrophobicContact CG2-CB 4.23Å; I60-P99 HydrophobicContact CD1-CG 3.86Å
61T90.8Very high89.6Confident18 Ų1854.3 Ų54.311%0.1128%0.277CS..Hα-helixtrans-60.8-49.2175.4-58.30000111.8V15 A57 C58 F59 Y64 Y65 F96V15-T61 HydrophobicContact CG1-CG2 3.47Å; V15-T61 VanDerWaalsContact CG1-CG2 3.47Å; A57-T61 VanDerWaalsContact O-CB 3.25Å; A57-T61 WeakPolarHBondContact O-CB 3.43Å; A57-T61 PolarHBondContact O-N 2.8Å; A57-T61 PolarHBondContact O-OG1 2.85Å; C58-T61 PolarHBondContact O-N 2.86Å; F59-T61 VanDerWaalsContact C-N 3.3Å; F59-T61 PolarHBondContact O-N 3.29Å; T61-Y64 WeakPolarHBondContact O-CB 3.43Å; T61-Y64 PolarHBondContact O-N 3.23Å; T61-Y65 HydrophobicContact CG2-CD2 3.99Å; T61-Y65 HydrophobicContact CG2-CE2 4.07Å; T61-Y65 WeakPolarHBondContact O-CD2 3.18Å; T61-Y65 PolarHBondContact O-N 2.5Å; T61-F96 HydrophobicContact CG2-CE2 3.99Å; T61-F96 WeakPolarHBondContact OG1-CE2 3.3Å
62A91.9Very high88Confident4 Ų454.9 Ų54.93%0.03329%0.285CS..Hα-helixtrans-62.5-46.9-179.800000111.3I20 I23 C58 F59 Y64 Y65 I66I20-A62 HydrophobicContact CG1-CB 4.42Å; I23-A62 HydrophobicContact CD1-CB 4.15Å; C58-A62 WeakPolarHBondContact O-CB 3.25Å; C58-A62 PolarHBondContact O-N 2.85Å; F59-A62 PolarHBondContact O-N 3.24Å; A62-Y64 VanDerWaalsContact C-N 3.33Å; A62-Y64 PolarHBondContact O-N 3.41Å; A62-Y65 PolarHBondContact O-N 2.96Å; A62-I66 WeakPolarHBondContact O-CB 3.35Å; A62-I66 WeakPolarHBondContact O-CD1 3.22Å; A62-I66 WeakPolarHBondContact O-CG1 3.35Å; A62-I66 PolarHBondContact O-N 3.49Å
63I88.9Confident86.6Confident62 Ų6257.7 Ų57.732%0.31829%0.292SS..Hα-helixtrans-60.3-43.8177.1-74-165000111.4F59 Y65 I66 I67 W90F59-I63 HydrophobicContact CD1-CD1 4.23Å; F59-I63 HydrophobicContact CE1-CD1 3.48Å; F59-I63 VanDerWaalsContact CE1-CD1 3.48Å; F59-I63 HydrophobicContact CE1-CG1 4.38Å; F59-I63 HydrophobicContact CE2-CD1 3.94Å; F59-I63 HydrophobicContact CE2-CG1 4.45Å; F59-I63 HydrophobicContact CZ-CD1 3.32Å; F59-I63 HydrophobicContact CZ-CG1 4.25Å; F59-I63 PolarHBondContact O-N 2.95Å; I63-Y65 PolarHBondContact O-N 3.45Å; I63-I66 PolarHBondContact O-N 3.4Å; I63-I67 HydrophobicContact CG2-CD1 3.57Å; I63-I67 HydrophobicContact CG2-CG1 4.26Å; I63-I67 VanDerWaalsContact O-CG1 3.31Å; I63-I67 WeakPolarHBondContact O-CG1 3.19Å; I63-I67 PolarHBondContact O-N 2.92Å; I63-W90 HydrophobicContact CG2-CH2 4.22Å
64Y85.7Confident85.1Confident49 Ų4960.9 Ų60.919%0.19231%0.311CS..Hα-helixtrans-53.6-53.4179.2179.5-120.4000112I60 T61 A62 I67 Q68 W90I60-Y64 WeakPolarHBondContact O-CB 3.48Å; I60-Y64 PolarHBondContact O-N 3.46Å; T61-Y64 WeakPolarHBondContact O-CB 3.43Å; T61-Y64 PolarHBondContact O-N 3.23Å; A62-Y64 VanDerWaalsContact C-N 3.33Å; A62-Y64 PolarHBondContact O-N 3.41Å; Y64-I67 PolarHBondContact O-N 3.41Å; Y64-Q68 HydrophobicContact CD2-CG 4.44Å; Y64-Q68 HydrophobicContact CE1-CG 4.32Å; Y64-Q68 HydrophobicContact CE2-CG 4.08Å; Y64-Q68 WeakPolarHBondContact O-CG 3.29Å; Y64-Q68 PolarHBondContact O-N 2.88Å; Y64-Q68 PolarHBondContact OH-NE2 3.37Å; Y64-W90 AromaticContact CD2-CE2 3.57Å; Y64-W90 AromaticContact CD2-CZ2 3.53Å; Y64-W90 HydrophobicContact CD2-CZ2 3.53Å; Y64-W90 AromaticContact CD2-NE1 3.08Å; Y64-W90 AromaticContact CE2-NE1 3.34Å; Y64-W90 VanDerWaalsContact CE2-NE1 3.34Å; Y64-W90 HydrophobicContact CG-CZ2 4Å
65Y86.3Confident83.8Confident52 Ų5266.7 Ų66.720%0.20434%0.335CS..Hα-helixtrans-74.6-29.9-175.2-76.1-69.4000112.7Q12 V15 T16 T61 A62 I63 Q68 F69Q12-Y65 HydrophobicContact CB-CD1 3.88Å; Q12-Y65 HydrophobicContact CB-CE1 4.39Å; Q12-Y65 HydrophobicContact CG-CD1 3.53Å; Q12-Y65 HydrophobicContact CG-CE1 3.7Å; V15-Y65 HydrophobicContact CB-CD2 4.29Å; V15-Y65 HydrophobicContact CB-CE2 4.17Å; V15-Y65 HydrophobicContact CG1-CD2 3.64Å; V15-Y65 HydrophobicContact CG1-CE2 3.42Å; V15-Y65 VanDerWaalsContact CG1-CE2 3.42Å; T16-Y65 WeakPolarHBondContact OG1-CB 3.44Å; T61-Y65 HydrophobicContact CG2-CD2 3.99Å; T61-Y65 HydrophobicContact CG2-CE2 4.07Å; T61-Y65 WeakPolarHBondContact O-CD2 3.18Å; T61-Y65 PolarHBondContact O-N 2.5Å; A62-Y65 PolarHBondContact O-N 2.96Å; I63-Y65 PolarHBondContact O-N 3.45Å; Y65-Q68 PolarHBondContact O-N 3.44Å; Y65-F69 WeakPolarHBondContact O-CB 3.33Å; Y65-F69 PolarHBondContact O-N 3.21Å
66I87.1Confident82.6Confident77 Ų7773.3 Ų73.340%0.39536%0.362SS..Hα-helixtrans-63.7-43171-70.1166.5000111.1T16 A62 I63 F69 T70T16-I66 HydrophobicContact CG2-CD1 4.16Å; T16-I66 HydrophobicContact CG2-CG1 3.75Å; A62-I66 WeakPolarHBondContact O-CB 3.35Å; A62-I66 WeakPolarHBondContact O-CD1 3.22Å; A62-I66 WeakPolarHBondContact O-CG1 3.35Å; A62-I66 PolarHBondContact O-N 3.49Å; I63-I66 PolarHBondContact O-N 3.4Å; I66-F69 PolarHBondContact O-N 3.22Å; I66-T70 WeakPolarHBondContact O-CG2 2.99Å; I66-T70 PolarHBondContact O-N 2.96Å; I66-T70 VanDerWaalsContact O-N 3.1Å; I66-T70 PolarHBondContact O-OG1 2.98Å
67I82.2Confident81.9Confident66 Ų6674.7 Ų74.734%0.33837%0.369SS..Hα-helixtrans-65-41176.8-68.6171000110.9I63 Y64 T70 G72I63-I67 HydrophobicContact CG2-CD1 3.57Å; I63-I67 HydrophobicContact CG2-CG1 4.26Å; I63-I67 VanDerWaalsContact O-CG1 3.31Å; I63-I67 WeakPolarHBondContact O-CG1 3.19Å; I63-I67 PolarHBondContact O-N 2.92Å; Y64-I67 PolarHBondContact O-N 3.41Å; I67-T70 PolarHBondContact O-N 3.38Å; I67-T70 PolarHBondContact O-OG1 3.29Å; I67-T70 VanDerWaalsContact O-OG1 3.08Å; I67-G72 PolarHBondContact O-N 2.95Å; I67-G72 VanDerWaalsContact O-N 3.11Å
68Q80.2Confident81.2Confident54 Ų5477.4 Ų77.425%0.25240%0.398SS..Hα-helixtrans-60.4-46.9174.1-74.9-80.124.400111.2Y64 Y65 T70 N71Y64-Q68 HydrophobicContact CD2-CG 4.44Å; Y64-Q68 HydrophobicContact CE1-CG 4.32Å; Y64-Q68 HydrophobicContact CE2-CG 4.08Å; Y64-Q68 WeakPolarHBondContact O-CG 3.29Å; Y64-Q68 PolarHBondContact O-N 2.88Å; Y64-Q68 PolarHBondContact OH-NE2 3.37Å; Y65-Q68 PolarHBondContact O-N 3.44Å; Q68-T70 VanDerWaalsContact C-N 3.28Å; Q68-T70 PolarHBondContact O-N 3.05Å; Q68-N71 PolarHBondContact O-N 3.41Å; Q68-N71 VanDerWaalsContact O-N 3.12Å
69F79.6Confident80.5Confident129 Ų12981.1 Ų81.157%0.56642%0.415SS*.Hα-helixtrans-62.3-34.1-178.9-162.5-91.3000113.1I13 Y65 I66 N71I13-F69 HydrophobicContact CD1-CE2 4.47Å; I13-F69 HydrophobicContact CG1-CE2 4.32Å; Y65-F69 WeakPolarHBondContact O-CB 3.33Å; Y65-F69 PolarHBondContact O-N 3.21Å; I66-F69 PolarHBondContact O-N 3.22Å; F69-N71 PolarHBondContact O-N 3.28Å
70T77.5Confident80Confident94 Ų9483.7 Ų83.758%0.57742%0.423SS*.THydrogen-bonded Turntrans-824.5179.651.70000113.9I66 I67 Q68 G72I66-T70 WeakPolarHBondContact O-CG2 2.99Å; I66-T70 PolarHBondContact O-N 2.96Å; I66-T70 VanDerWaalsContact O-N 3.1Å; I66-T70 PolarHBondContact O-OG1 2.98Å; I67-T70 PolarHBondContact O-N 3.38Å; I67-T70 PolarHBondContact O-OG1 3.29Å; I67-T70 VanDerWaalsContact O-OG1 3.08Å; Q68-T70 VanDerWaalsContact C-N 3.28Å; Q68-T70 PolarHBondContact O-N 3.05Å; T70-G72 PolarHBondContact O-N 3.36Å
71N70.4Confident79.6Confident122 Ų12288.6 Ų88.665%0.65245%0.448SS*.THydrogen-bonded Turntrans50.625.4-168.9-80.3-36.2000112.5Q68 F69 Y73Q68-N71 PolarHBondContact O-N 3.41Å; Q68-N71 VanDerWaalsContact O-N 3.12Å; F69-N71 PolarHBondContact O-N 3.28Å; N71-Y73 VanDerWaalsContact C-N 3.34Å
72G65.2Low79.1Confident19 Ų1991.4 Ų91.420%0.19646%0.461CS..G310 helixtrans-82.8-11.6-176.500000113.4I67 T70 N74 K75I67-G72 PolarHBondContact O-N 2.95Å; I67-G72 VanDerWaalsContact O-N 3.11Å; T70-G72 PolarHBondContact O-N 3.36Å; G72-N74 PolarHBondContact O-N 3.26Å; G72-N74 VanDerWaalsContact O-N 3.08Å; G72-K75 PolarHBondContact O-N 2.85Å
73Y67.2Low78.5Confident125 Ų12592.4 Ų92.449%0.4947%0.466SS..G310 helixtrans-60.3-24.4-171.272.9-90.5000114.6N71N71-Y73 VanDerWaalsContact C-N 3.34Å
74N66.9Low78.2Confident118 Ų11897 Ų9763%0.63148%0.479SS*.G310 helixtrans-99.82.6177.3-83.6-13.9000113.9G72G72-N74 PolarHBondContact O-N 3.26Å; G72-N74 VanDerWaalsContact O-N 3.08Å
75K69.7Low77.9Confident164 Ų16498.9 Ų98.971%0.71349%0.493SS*.  trans-90.8120.6178.7-71.9-176.6178.2176.10109.7G72 T77G72-K75 PolarHBondContact O-N 2.85Å; K75-T77 PolarHBondContact O-N 2.9Å
76F72.6Confident77.5Confident175 Ų175100 Ų10077%0.76850%0.502SS*.  trans-59.8135.2166.9-70.8-82.4000109.4G78 D83F76-G78 PolarHBondContact O-N 2.99Å; F76-D83 HydrophobicContact CD1-CB 3.96Å; F76-D83 WeakPolarHBondContact CD1-OD2 3.4Å
77T79.2Confident77.1Confident75 Ų75100.7 Ų100.746%0.4651%0.512SS..  trans-65.1-16.3172.962.10000111.7K75 L79 I82 D83 L86K75-T77 PolarHBondContact O-N 2.9Å; T77-L79 VanDerWaalsContact C-N 3.26Å; T77-L79 PolarHBondContact OG1-N 3.1Å; T77-I82 HydrophobicContact CG2-CG2 4.25Å; T77-D83 VanDerWaalsContact CB-OD1 3.3Å; T77-D83 WeakPolarHBondContact CB-OD1 3.41Å; T77-D83 WeakPolarHBondContact CG2-OD1 3.21Å; T77-D83 PolarHBondContact N-OD1 3.29Å; T77-D83 PolarHBondContact N-OD2 3.29Å; T77-D83 PolarHBondContact OG1-OD1 3.48Å; T77-D83 PolarHBondContact OG1-OD2 2.98Å; T77-L86 HydrophobicContact CG2-CD1 4.18Å
78G80.2Confident76.9Confident67 Ų67104.6 Ų104.669%0.69153%0.529SS*.SBendtrans87.7-4.4-17700000112.7F76 D83F76-G78 PolarHBondContact O-N 2.99Å; G78-D83 PolarHBondContact N-OD2 3.39Å
79L82.3Confident76.6Confident105 Ų105107.2 Ų107.255%0.5554%0.54SS..  trans-109.9101.9175.7-69.4171.6000108.9T77 I81 I82 D83T77-L79 VanDerWaalsContact C-N 3.26Å; T77-L79 PolarHBondContact OG1-N 3.1Å; L79-I81 PolarHBondContact O-N 3.31Å; L79-I82 HydrophobicContact CB-CB 4.15Å; L79-I82 HydrophobicContact CB-CD1 4.08Å; L79-I82 HydrophobicContact CB-CG1 4.04Å; L79-I82 HydrophobicContact CD1-CD1 3.58Å; L79-I82 HydrophobicContact CD1-CG1 4.39Å; L79-I82 HydrophobicContact CG-CD1 4.49Å; L79-I82 PolarHBondContact O-N 2.83Å; L79-D83 PolarHBondContact O-N 3.3Å
80Y83.9Confident76.3Confident160 Ų160104.2 Ų104.263%0.62752%0.524SS*.Hα-helixtrans-48.1-40.1-175.3-179.3-101.1000114.1R84Y80-R84 VanDerWaalsContact O-CB 3.29Å; Y80-R84 WeakPolarHBondContact O-CB 3.4Å; Y80-R84 PolarHBondContact O-N 3.17Å; Y80-R84 PolarHBondContact OH-NE 3.44Å; Y80-R84 PolarHBondContact OH-NH2 3.22Å
81I84Confident75.8Confident125 Ų125105.4 Ų105.464%0.64152%0.522SS*.Hα-helixtrans-65.9-46179.9-62.6166.2000110.6L79 R84 L85L79-I81 PolarHBondContact O-N 3.31Å; I81-R84 PolarHBondContact O-N 2.82Å; I81-L85 HydrophobicContact CG2-CD1 4.04Å; I81-L85 WeakPolarHBondContact O-CB 3.43Å; I81-L85 VanDerWaalsContact O-CG 3.27Å; I81-L85 WeakPolarHBondContact O-CG 3.27Å; I81-L85 PolarHBondContact O-N 3.49Å
82I80Confident75.7Confident77 Ų77106.5 Ų106.540%0.39552%0.523SS..Hα-helixtrans-67.3-44.9179.8-60.2-174.2000109.8T77 L79 R84 L85 L86T77-I82 HydrophobicContact CG2-CG2 4.25Å; L79-I82 HydrophobicContact CB-CB 4.15Å; L79-I82 HydrophobicContact CB-CD1 4.08Å; L79-I82 HydrophobicContact CB-CG1 4.04Å; L79-I82 HydrophobicContact CD1-CD1 3.58Å; L79-I82 HydrophobicContact CD1-CG1 4.39Å; L79-I82 HydrophobicContact CG-CD1 4.49Å; L79-I82 PolarHBondContact O-N 2.83Å; I82-R84 VanDerWaalsContact C-N 3.31Å; I82-R84 PolarHBondContact O-N 3.37Å; I82-L85 PolarHBondContact O-N 2.77Å; I82-L86 HydrophobicContact CG2-CD1 3.75Å; I82-L86 HydrophobicContact CG2-CG 4.1Å; I82-L86 WeakPolarHBondContact O-CB 3.46Å; I82-L86 WeakPolarHBondContact O-CG 3.37Å; I82-L86 PolarHBondContact O-N 3.02Å
83D79.7Confident76.1Confident25 Ų25108.4 Ų108.413%0.13453%0.529CS..Hα-helixtrans-60-41.5178.5-67.9-31.4000111.7F76 T77 G78 L79 C87F76-D83 HydrophobicContact CD1-CB 3.96Å; F76-D83 WeakPolarHBondContact CD1-OD2 3.4Å; T77-D83 VanDerWaalsContact CB-OD1 3.3Å; T77-D83 WeakPolarHBondContact CB-OD1 3.41Å; T77-D83 WeakPolarHBondContact CG2-OD1 3.21Å; T77-D83 PolarHBondContact N-OD1 3.29Å; T77-D83 PolarHBondContact N-OD2 3.29Å; T77-D83 PolarHBondContact OG1-OD1 3.48Å; T77-D83 PolarHBondContact OG1-OD2 2.98Å; G78-D83 PolarHBondContact N-OD2 3.39Å; L79-D83 PolarHBondContact O-N 3.3Å; D83-C87 WeakPolarHBondContact O-CB 3.19Å; D83-C87 PolarHBondContact O-N 2.98Å
84R82.3Confident76.4Confident158 Ų158105.4 Ų105.460%0.59653%0.526SS*.Hα-helixtrans-68.1-43.9176.5-167.3-164.4-97-154-3111.8Y80 I81 I82 C87 H88Y80-R84 VanDerWaalsContact O-CB 3.29Å; Y80-R84 WeakPolarHBondContact O-CB 3.4Å; Y80-R84 PolarHBondContact O-N 3.17Å; Y80-R84 PolarHBondContact OH-NE 3.44Å; Y80-R84 PolarHBondContact OH-NH2 3.22Å; I81-R84 PolarHBondContact O-N 2.82Å; I82-R84 VanDerWaalsContact C-N 3.31Å; I82-R84 PolarHBondContact O-N 3.37Å; R84-C87 PolarHBondContact O-N 3.32Å; R84-H88 WeakPolarHBondContact O-CB 3.44Å; R84-H88 PolarHBondContact O-N 3.42Å
85L79.4Confident76.9Confident90 Ų90102.3 Ų102.347%0.47151%0.509SS..Hα-helixtrans-62.6-49.7177.5-73.5173.7000110.8I81 I82 C87 H88 F89I81-L85 HydrophobicContact CG2-CD1 4.04Å; I81-L85 WeakPolarHBondContact O-CB 3.43Å; I81-L85 VanDerWaalsContact O-CG 3.27Å; I81-L85 WeakPolarHBondContact O-CG 3.27Å; I81-L85 PolarHBondContact O-N 3.49Å; I82-L85 PolarHBondContact O-N 2.77Å; L85-C87 PolarHBondContact O-N 2.6Å; L85-H88 PolarHBondContact O-N 3.43Å; L85-F89 HydrophobicContact CB-CD2 4.17Å; L85-F89 HydrophobicContact CB-CE2 4.42Å; L85-F89 HydrophobicContact CD2-CD2 4.32Å; L85-F89 HydrophobicContact CD2-CE2 3.82Å; L85-F89 WeakPolarHBondContact O-CB 3.28Å; L85-F89 VanDerWaalsContact O-CD2 3.22Å; L85-F89 WeakPolarHBondContact O-CD2 3.26Å; L85-F89 PolarHBondContact O-N 3.47Å
86L77.6Confident77.3Confident75 Ų7596.4 Ų96.439%0.39348%0.484SS..Hα-helixtrans-56.5-52.3175-73174.7000110.1T77 I82 H88 F89 W90T77-L86 HydrophobicContact CG2-CD1 4.18Å; I82-L86 HydrophobicContact CG2-CD1 3.75Å; I82-L86 HydrophobicContact CG2-CG 4.1Å; I82-L86 WeakPolarHBondContact O-CB 3.46Å; I82-L86 WeakPolarHBondContact O-CG 3.37Å; I82-L86 PolarHBondContact O-N 3.02Å; L86-H88 VanDerWaalsContact C-N 3.3Å; L86-H88 PolarHBondContact O-N 2.95Å; L86-F89 PolarHBondContact O-N 2.93Å; L86-W90 HydrophobicContact CD2-CE3 4.04Å; L86-W90 HydrophobicContact CD2-CZ3 4.1Å; L86-W90 WeakPolarHBondContact O-CA 3.36Å; L86-W90 WeakPolarHBondContact O-CB 3.49Å; L86-W90 PolarHBondContact O-N 3.49Å
87C79.3Confident78Confident91 Ų9194.7 Ų94.762%0.61547%0.472SS*.Hα-helixtrans-55.2-44.6179.5-176.80000112.6D83 R84 L85 F91D83-C87 WeakPolarHBondContact O-CB 3.19Å; D83-C87 PolarHBondContact O-N 2.98Å; R84-C87 PolarHBondContact O-N 3.32Å; L85-C87 PolarHBondContact O-N 2.6Å; C87-F91 WeakPolarHBondContact O-CB 3.45Å; C87-F91 PolarHBondContact O-N 3.34Å
88H78.4Confident78.6Confident148 Ų14895.9 Ų95.969%0.68548%0.475SS*.Hα-helixtrans-74.6-42.3-176.6-155.748.4000112.8R84 L85 L86 F91R84-H88 WeakPolarHBondContact O-CB 3.44Å; R84-H88 PolarHBondContact O-N 3.42Å; L85-H88 PolarHBondContact O-N 3.43Å; L86-H88 VanDerWaalsContact C-N 3.3Å; L86-H88 PolarHBondContact O-N 2.95Å; H88-F91 WeakPolarHBondContact O-CB 3.46Å; H88-F91 PolarHBondContact O-N 3.44Å
89F72.4Confident79.2Confident110 Ų11093.1 Ų93.148%0.48245%0.445SS..Hα-helixtrans-73.9-34.7180-83.1-50.9000113L85 L86 F91 L95L85-F89 HydrophobicContact CB-CD2 4.17Å; L85-F89 HydrophobicContact CB-CE2 4.42Å; L85-F89 HydrophobicContact CD2-CD2 4.32Å; L85-F89 HydrophobicContact CD2-CE2 3.82Å; L85-F89 WeakPolarHBondContact O-CB 3.28Å; L85-F89 VanDerWaalsContact O-CD2 3.22Å; L85-F89 WeakPolarHBondContact O-CD2 3.26Å; L85-F89 PolarHBondContact O-N 3.47Å; L86-F89 PolarHBondContact O-N 2.93Å; F89-F91 VanDerWaalsContact C-N 3.26Å; F89-L95 HydrophobicContact CB-CB 4.21Å; F89-L95 HydrophobicContact CB-CD1 3.3Å; F89-L95 HydrophobicContact CB-CG 4.32Å; F89-L95 HydrophobicContact CD1-CD1 3.56Å; F89-L95 HydrophobicContact CD2-CD1 4.02Å; F89-L95 HydrophobicContact CE1-CD1 4.34Å; F89-L95 HydrophobicContact CG-CD1 3.37Å; F89-L95 WeakPolarHBondContact O-CB 3.49Å; F89-L95 PolarHBondContact O-N 3.42Å
90W75.3Confident79.7Confident65 Ų6589.8 Ų89.825%0.24643%0.43CS..Hα-helixtrans-79.8-11.1175.2-132.3-77.2000112.8I60 I63 Y64 L86 Q92 N93I60-W90 HydrophobicContact CG2-CH2 4.43Å; I63-W90 HydrophobicContact CG2-CH2 4.22Å; Y64-W90 AromaticContact CD2-CE2 3.57Å; Y64-W90 AromaticContact CD2-CZ2 3.53Å; Y64-W90 HydrophobicContact CD2-CZ2 3.53Å; Y64-W90 AromaticContact CD2-NE1 3.08Å; Y64-W90 AromaticContact CE2-NE1 3.34Å; Y64-W90 VanDerWaalsContact CE2-NE1 3.34Å; Y64-W90 HydrophobicContact CG-CZ2 4Å; L86-W90 HydrophobicContact CD2-CE3 4.04Å; L86-W90 HydrophobicContact CD2-CZ3 4.1Å; L86-W90 WeakPolarHBondContact O-CA 3.36Å; L86-W90 WeakPolarHBondContact O-CB 3.49Å; L86-W90 PolarHBondContact O-N 3.49Å; W90-Q92 PolarHBondContact O-N 2.89Å; W90-N93 PolarHBondContact O-N 2.9Å
91F67.1Low80.3Confident120 Ų12086.5 Ų86.553%0.52642%0.422SS..G310 helixtrans-54125.2176.4-169.6-105.7000109.6C87 H88 F89 N93 S94C87-F91 WeakPolarHBondContact O-CB 3.45Å; C87-F91 PolarHBondContact O-N 3.34Å; H88-F91 WeakPolarHBondContact O-CB 3.46Å; H88-F91 PolarHBondContact O-N 3.44Å; F89-F91 VanDerWaalsContact C-N 3.26Å; F91-N93 PolarHBondContact O-N 2.67Å; F91-N93 VanDerWaalsContact O-N 3.13Å; F91-S94 WeakPolarHBondContact O-CB 3.46Å; F91-S94 PolarHBondContact O-N 2.89Å; F91-S94 VanDerWaalsContact O-N 3.11Å; F91-S94 PolarHBondContact O-OG 3.25Å
92Q66.9Low80.8Confident145 Ų14584 Ų8468%0.67841%0.41SS*.G310 helixtrans5525.1-175.9-62.9-179-8.700115.2W90 S94W90-Q92 PolarHBondContact O-N 2.89Å; Q92-S94 PolarHBondContact O-N 3.45Å
93N74.8Confident81.7Confident59 Ų5980.8 Ų80.832%0.31640%0.395SS..G310 helixtrans59.527.3-176.4-52.6-59.5000112.8W90 F91 L95 F96 W97W90-N93 PolarHBondContact O-N 2.9Å; F91-N93 PolarHBondContact O-N 2.67Å; F91-N93 VanDerWaalsContact O-N 3.13Å; N93-L95 VanDerWaalsContact C-N 3.34Å; N93-L95 PolarHBondContact O-N 3.04Å; N93-F96 HydrophobicContact CB-CB 4.14Å; N93-F96 WeakPolarHBondContact O-CB 3.43Å; N93-F96 PolarHBondContact O-N 3.26Å; N93-W97 PolarHBondContact O-N 2.9Å
94S73.7Confident82.5Confident62 Ų6283.7 Ų83.743%0.43441%0.413SS..Hα-helixtrans-58.8-44.9-174.9-60.80000112.1F91 Q92 F96 W97 L98F91-S94 WeakPolarHBondContact O-CB 3.46Å; F91-S94 PolarHBondContact O-N 2.89Å; F91-S94 VanDerWaalsContact O-N 3.11Å; F91-S94 PolarHBondContact O-OG 3.25Å; Q92-S94 PolarHBondContact O-N 3.45Å; S94-F96 VanDerWaalsContact C-N 3.28Å; S94-F96 PolarHBondContact O-N 2.78Å; S94-W97 PolarHBondContact O-N 3.37Å; S94-L98 WeakPolarHBondContact O-CB 3.25Å; S94-L98 PolarHBondContact O-N 3.13Å
95L76.2Confident83.2Confident52 Ų5281.5 Ų81.527%0.27241%0.409SS..Hα-helixtrans-71.6-22.6178.7-143151.5000112.8I60 F89 N93 P99I60-L95 HydrophobicContact CD1-CD2 3.42Å; I60-L95 VanDerWaalsContact CD1-CD2 3.42Å; I60-L95 HydrophobicContact CG1-CD2 4.13Å; F89-L95 HydrophobicContact CB-CB 4.21Å; F89-L95 HydrophobicContact CB-CD1 3.3Å; F89-L95 HydrophobicContact CB-CG 4.32Å; F89-L95 HydrophobicContact CD1-CD1 3.56Å; F89-L95 HydrophobicContact CD2-CD1 4.02Å; F89-L95 HydrophobicContact CE1-CD1 4.34Å; F89-L95 HydrophobicContact CG-CD1 3.37Å; F89-L95 WeakPolarHBondContact O-CB 3.49Å; F89-L95 PolarHBondContact O-N 3.42Å; N93-L95 VanDerWaalsContact C-N 3.34Å; N93-L95 PolarHBondContact O-N 3.04Å; L95-P99 WeakPolarHBondContact O-CD 3.45Å
96F79.3Confident84.1Confident40 Ų4077.8 Ų77.818%0.17539%0.39CS..Hα-helixtrans-71.6-45170169.3-87.9000111.4I60 T61 N93 S94 P99 C100I60-F96 HydrophobicContact CG2-CB 4.23Å; T61-F96 HydrophobicContact CG2-CE2 3.99Å; T61-F96 WeakPolarHBondContact OG1-CE2 3.3Å; N93-F96 HydrophobicContact CB-CB 4.14Å; N93-F96 WeakPolarHBondContact O-CB 3.43Å; N93-F96 PolarHBondContact O-N 3.26Å; S94-F96 VanDerWaalsContact C-N 3.28Å; S94-F96 PolarHBondContact O-N 2.78Å; F96-P99 WeakPolarHBondContact O-CD 3.36Å; F96-P99 WeakPolarHBondContact O-CG 3.04Å; F96-C100 PolarHBondContact O-SG 3.11Å; F96-C100 VanDerWaalsContact O-SG 3.42Å
97W86.6Confident85Confident140 Ų14078.1 Ų78.153%0.5339%0.392SS..Hα-helixtrans-75.2-31.4-176.6-73.1113.7000113.7N93 S94 C100 I101N93-W97 PolarHBondContact O-N 2.9Å; S94-W97 PolarHBondContact O-N 3.37Å; W97-C100 HydrophobicContact CE3-CB 4.46Å; W97-C100 WeakPolarHBondContact O-CB 3.34Å; W97-C100 PolarHBondContact O-N 3.06Å; W97-I101 HydrophobicContact CB-CD1 4.23Å; W97-I101 VanDerWaalsContact O-CG1 3.28Å; W97-I101 WeakPolarHBondContact O-CG1 3.45Å; W97-I101 PolarHBondContact O-N 3.39Å
98L90.9Very high85.9Confident99 Ų9977.1 Ų77.152%0.51838%0.383SS..Hα-helixtrans-54.4-55.2-177.8-178.463.7000114S94 C100 I101 L102S94-L98 WeakPolarHBondContact O-CB 3.25Å; S94-L98 PolarHBondContact O-N 3.13Å; L98-C100 VanDerWaalsContact C-N 3.3Å; L98-C100 PolarHBondContact O-N 2.75Å; L98-I101 PolarHBondContact O-N 2.94Å; L98-L102 HydrophobicContact CD1-CD1 4.28Å; L98-L102 HydrophobicContact CD1-CG 4.39Å; L98-L102 HydrophobicContact CG-CD1 4.19Å; L98-L102 WeakPolarHBondContact O-CG 3.19Å; L98-L102 PolarHBondContact O-N 3.5Å
99P93.1Very high86.7Confident10 Ų1072.4 Ų72.47%0.06537%0.366CS..Hα-helixtrans-64.7-34.1178.727.1-36.1000112.3A57 I60 L95 F96 L102 S103A57-P99 HydrophobicContact CB-CB 4.03Å; A57-P99 HydrophobicContact CB-CG 4.17Å; I60-P99 HydrophobicContact CD1-CG 3.86Å; L95-P99 WeakPolarHBondContact O-CD 3.45Å; F96-P99 WeakPolarHBondContact O-CD 3.36Å; F96-P99 WeakPolarHBondContact O-CG 3.04Å; P99-L102 PolarHBondContact O-N 3.19Å; P99-S103 WeakPolarHBondContact O-CB 3.17Å; P99-S103 PolarHBondContact O-N 2.99Å
100C93.5Very high87.8Confident34 Ų3468 Ų6823%0.2335%0.347CS..Hα-helixtrans-62.4-45.4174.1-63.30000111.5F96 W97 L98 S103 V104F96-C100 PolarHBondContact O-SG 3.11Å; F96-C100 VanDerWaalsContact O-SG 3.42Å; W97-C100 HydrophobicContact CE3-CB 4.46Å; W97-C100 WeakPolarHBondContact O-CB 3.34Å; W97-C100 PolarHBondContact O-N 3.06Å; L98-C100 VanDerWaalsContact C-N 3.3Å; L98-C100 PolarHBondContact O-N 2.75Å; C100-S103 PolarHBondContact O-N 2.94Å; C100-V104 WeakPolarHBondContact O-CG2 3.4Å; C100-V104 PolarHBondContact O-N 3.35Å
101I95.4Very high88.8Confident91 Ų9168.2 Ų68.247%0.46736%0.359SS..Hα-helixtrans-64-45.1177.4-68.2164.5000110.2W97 L98 S103 V104 Q105W97-I101 HydrophobicContact CB-CD1 4.23Å; W97-I101 VanDerWaalsContact O-CG1 3.28Å; W97-I101 WeakPolarHBondContact O-CG1 3.45Å; W97-I101 PolarHBondContact O-N 3.39Å; L98-I101 PolarHBondContact O-N 2.94Å; I101-S103 VanDerWaalsContact C-N 3.33Å; I101-S103 PolarHBondContact O-N 3.39Å; I101-V104 PolarHBondContact O-N 2.96Å; I101-Q105 HydrophobicContact CG2-CG 4.25Å; I101-Q105 WeakPolarHBondContact O-CB 3.36Å; I101-Q105 VanDerWaalsContact O-CG 3.27Å; I101-Q105 WeakPolarHBondContact O-CG 3.41Å; I101-Q105 PolarHBondContact O-N 3.4Å
102L96.1Very high90.1Very high73 Ų7367.4 Ų67.438%0.38236%0.359SS..Hα-helixtrans-61.1-41.5177.5-70.9172.5000111.9F53 L98 P99 Q105 N106F53-L102 HydrophobicContact CB-CB 4.48Å; F53-L102 HydrophobicContact CD1-CB 4.08Å; F53-L102 HydrophobicContact CD1-CD1 4.28Å; F53-L102 HydrophobicContact CD2-CB 4.06Å; F53-L102 HydrophobicContact CE1-CB 4.31Å; F53-L102 HydrophobicContact CE1-CD1 4.14Å; F53-L102 HydrophobicContact CE2-CB 4.28Å; F53-L102 HydrophobicContact CG-CB 3.96Å; F53-L102 HydrophobicContact CZ-CB 4.41Å; L98-L102 HydrophobicContact CD1-CD1 4.28Å; L98-L102 HydrophobicContact CD1-CG 4.39Å; L98-L102 HydrophobicContact CG-CD1 4.19Å; L98-L102 WeakPolarHBondContact O-CG 3.19Å; L98-L102 PolarHBondContact O-N 3.5Å; P99-L102 PolarHBondContact O-N 3.19Å; L102-Q105 PolarHBondContact O-N 3.26Å; L102-N106 VanDerWaalsContact O-CB 3.23Å; L102-N106 WeakPolarHBondContact O-CB 3.31Å; L102-N106 PolarHBondContact O-N 3.2Å
103S96.9Very high91.3Very high10 Ų1061.2 Ų61.27%0.0733%0.331CS..Hα-helixtrans-60.1-49.4174.11690000111.9Q50 D54 P99 C100 I101 Q105 N106 L107Q50-S103 PolarHBondContact NE2-OG 2.94Å; Q50-S103 PolarHBondContact OE1-O 3.45Å; D54-S103 WeakPolarHBondContact OD1-CB 3.42Å; D54-S103 PolarHBondContact OD1-OG 3.08Å; P99-S103 WeakPolarHBondContact O-CB 3.17Å; P99-S103 PolarHBondContact O-N 2.99Å; C100-S103 PolarHBondContact O-N 2.94Å; I101-S103 VanDerWaalsContact C-N 3.33Å; I101-S103 PolarHBondContact O-N 3.39Å; S103-Q105 PolarHBondContact O-N 3.27Å; S103-N106 PolarHBondContact O-N 2.88Å; S103-L107 PolarHBondContact O-N 2.81Å
104V97.4Very high92.1Very high85 Ų8563.1 Ų63.152%0.51533%0.333SS..Hα-helixtrans-62.6-44179.5172.10000111.4C100 I101 N106 L107 V108C100-V104 WeakPolarHBondContact O-CG2 3.4Å; C100-V104 PolarHBondContact O-N 3.35Å; I101-V104 PolarHBondContact O-N 2.96Å; V104-N106 VanDerWaalsContact C-N 3.31Å; V104-N106 PolarHBondContact O-N 3.02Å; V104-L107 WeakPolarHBondContact O-CB 3.38Å; V104-L107 PolarHBondContact O-N 3.08Å; V104-V108 WeakPolarHBondContact O-CG2 3.35Å; V104-V108 PolarHBondContact O-N 3.01Å; V104-V108 VanDerWaalsContact O-N 3.1Å
105Q97.3Very high93Very high112 Ų11266 Ų6652%0.52334%0.342SS..Hα-helixtrans-63.9-39177.2-67.7-61.5-19.200111.6I101 L102 S103 V108 C109I101-Q105 HydrophobicContact CG2-CG 4.25Å; I101-Q105 WeakPolarHBondContact O-CB 3.36Å; I101-Q105 VanDerWaalsContact O-CG 3.27Å; I101-Q105 WeakPolarHBondContact O-CG 3.41Å; I101-Q105 PolarHBondContact O-N 3.4Å; L102-Q105 PolarHBondContact O-N 3.26Å; S103-Q105 PolarHBondContact O-N 3.27Å; Q105-V108 WeakPolarHBondContact O-CB 3.48Å; Q105-V108 PolarHBondContact O-N 3.41Å; Q105-C109 PolarHBondContact O-N 3.06Å; Q105-C109 PolarHBondContact O-SG 3.44Å; Q105-C109 VanDerWaalsContact O-SG 3.37Å
106N97.6Very high93.7Very high12 Ų1268.5 Ų68.56%0.06436%0.355CS..Hα-helixtrans-68.7-35177.8-167.769.2000112.3V46 Q50 F53 L102 S103 V104 V108 C109 I110V46-N106 PolarHBondContact O-ND2 3.35Å; Q50-N106 WeakPolarHBondContact CA-ND2 3.29Å; Q50-N106 WeakPolarHBondContact CB-ND2 3.34Å; Q50-N106 PolarHBondContact N-ND2 3.3Å; Q50-N106 PolarHBondContact OE1-ND2 3Å; F53-N106 HydrophobicContact CD2-CB 4.01Å; F53-N106 HydrophobicContact CE2-CB 4.07Å; L102-N106 VanDerWaalsContact O-CB 3.23Å; L102-N106 WeakPolarHBondContact O-CB 3.31Å; L102-N106 PolarHBondContact O-N 3.2Å; S103-N106 PolarHBondContact O-N 2.88Å; V104-N106 VanDerWaalsContact C-N 3.31Å; V104-N106 PolarHBondContact O-N 3.02Å; N106-V108 VanDerWaalsContact C-N 3.33Å; N106-V108 PolarHBondContact O-N 3.42Å; N106-C109 WeakPolarHBondContact O-CB 3.11Å; N106-C109 PolarHBondContact O-N 3.31Å; N106-I110 WeakPolarHBondContact O-CG1 3.3Å; N106-I110 PolarHBondContact O-N 3.33Å
107L96.9Very high94.2Very high83 Ų8369.2 Ų69.244%0.43536%0.362SS..Hα-helixtrans-61.3-39.2169.9-82.5167.2000112.7S103 V104 I110 S111S103-L107 PolarHBondContact O-N 2.81Å; V104-L107 WeakPolarHBondContact O-CB 3.38Å; V104-L107 PolarHBondContact O-N 3.08Å; L107-I110 PolarHBondContact O-N 3.1Å; L107-S111 WeakPolarHBondContact O-CB 3.43Å; L107-S111 PolarHBondContact O-N 3.15Å; L107-S111 PolarHBondContact O-OG 3.12Å
108V97.4Very high94.4Very high70 Ų7067.7 Ų67.742%0.42436%0.364SS..Hα-helixtrans-62.5-45.1172.9174.60000110.2V104 Q105 N106 I110 S111 L112V104-V108 WeakPolarHBondContact O-CG2 3.35Å; V104-V108 PolarHBondContact O-N 3.01Å; V104-V108 VanDerWaalsContact O-N 3.1Å; Q105-V108 WeakPolarHBondContact O-CB 3.48Å; Q105-V108 PolarHBondContact O-N 3.41Å; N106-V108 VanDerWaalsContact C-N 3.33Å; N106-V108 PolarHBondContact O-N 3.42Å; V108-I110 PolarHBondContact O-N 3.34Å; V108-S111 WeakPolarHBondContact O-CB 3.34Å; V108-S111 PolarHBondContact O-N 3.41Å; V108-L112 HydrophobicContact CG1-CD1 4.12Å; V108-L112 HydrophobicContact CG1-CG 4.5Å; V108-L112 WeakPolarHBondContact O-CG 3.44Å; V108-L112 PolarHBondContact O-N 2.88Å
109C95.7Very high94.5Very high48 Ų4867.6 Ų67.632%0.32436%0.364SS..Hα-helixtrans-60-43.1175.4-65.40000112.8V46 Q105 N106 S111 L112 D113V46-C109 HydrophobicContact CG1-CB 4.22Å; Q105-C109 PolarHBondContact O-N 3.06Å; Q105-C109 PolarHBondContact O-SG 3.44Å; Q105-C109 VanDerWaalsContact O-SG 3.37Å; N106-C109 WeakPolarHBondContact O-CB 3.11Å; N106-C109 PolarHBondContact O-N 3.31Å; C109-S111 VanDerWaalsContact C-N 3.32Å; C109-S111 PolarHBondContact O-N 3.11Å; C109-L112 PolarHBondContact O-N 3.39Å; C109-D113 WeakPolarHBondContact O-CB 3.15Å; C109-D113 PolarHBondContact O-N 3.48Å
110I96.1Very high94.2Very high19 Ų1970.4 Ų70.410%0.09738%0.384CS..Hα-helixtrans-60.4-44.7175.2-70.3166000110.3V46 F47 Q50 N106 L107 V108 L112 D113 R114V46-I110 HydrophobicContact CB-CG1 3.91Å; V46-I110 HydrophobicContact CG2-CG1 3.69Å; F47-I110 HydrophobicContact CE1-CG2 4.43Å; F47-I110 HydrophobicContact CE2-CG2 4.39Å; F47-I110 HydrophobicContact CZ-CG2 4Å; Q50-I110 HydrophobicContact CB-CD1 4.09Å; Q50-I110 HydrophobicContact CG-CD1 4.26Å; N106-I110 WeakPolarHBondContact O-CG1 3.3Å; N106-I110 PolarHBondContact O-N 3.33Å; L107-I110 PolarHBondContact O-N 3.1Å; V108-I110 PolarHBondContact O-N 3.34Å; I110-L112 PolarHBondContact O-N 2.91Å; I110-D113 WeakPolarHBondContact O-CB 3.47Å; I110-D113 PolarHBondContact O-N 2.75Å; I110-R114 HydrophobicContact CG2-CG 4.42Å; I110-R114 VanDerWaalsContact O-CG 3.29Å; I110-R114 WeakPolarHBondContact O-CG 3.35Å; I110-R114 PolarHBondContact O-N 2.95Å
111S95.9Very high94Very high69 Ų6975.6 Ų75.648%0.48340%0.403SS..Hα-helixtrans-61.9-44.6179.9-580000111.5L107 V108 C109 R114 M115L107-S111 WeakPolarHBondContact O-CB 3.43Å; L107-S111 PolarHBondContact O-N 3.15Å; L107-S111 PolarHBondContact O-OG 3.12Å; V108-S111 WeakPolarHBondContact O-CB 3.34Å; V108-S111 PolarHBondContact O-N 3.41Å; C109-S111 VanDerWaalsContact C-N 3.32Å; C109-S111 PolarHBondContact O-N 3.11Å; S111-R114 PolarHBondContact O-N 3.36Å; S111-M115 VanDerWaalsContact O-CG 3.29Å; S111-M115 WeakPolarHBondContact O-CG 3.35Å; S111-M115 PolarHBondContact O-N 3.04Å
112L94.5Very high93.9Very high103 Ų10376.4 Ų76.454%0.53941%0.407SS..Hα-helixtrans-65.6-40.7175.9-68.4173.7000112.5V108 C109 I110 R114 M115 N116V108-L112 HydrophobicContact CG1-CD1 4.12Å; V108-L112 HydrophobicContact CG1-CG 4.5Å; V108-L112 WeakPolarHBondContact O-CG 3.44Å; V108-L112 PolarHBondContact O-N 2.88Å; C109-L112 PolarHBondContact O-N 3.39Å; I110-L112 PolarHBondContact O-N 2.91Å; L112-R114 PolarHBondContact O-N 2.69Å; L112-M115 PolarHBondContact O-N 2.88Å; L112-N116 WeakPolarHBondContact O-CB 3.26Å; L112-N116 PolarHBondContact O-N 3.43Å
113D92.5Very high93.5Very high15 Ų1577.9 Ų77.98%0.0841%0.414CS..Hα-helixtrans-57.6-48.4173.9175.689.5000111F42 T43 C109 I110 M115 N116 V117F42-D113 HydrophobicContact CE1-CB 4.48Å; T43-D113 WeakPolarHBondContact CG2-OD2 3.43Å; T43-D113 VanDerWaalsContact OG1-CG 3.29Å; T43-D113 PolarHBondContact OG1-OD1 2.92Å; T43-D113 PolarHBondContact OG1-OD2 3.02Å; T43-D113 VanDerWaalsContact OG1-OD2 3.12Å; C109-D113 WeakPolarHBondContact O-CB 3.15Å; C109-D113 PolarHBondContact O-N 3.48Å; I110-D113 WeakPolarHBondContact O-CB 3.47Å; I110-D113 PolarHBondContact O-N 2.75Å; D113-M115 PolarHBondContact O-N 3.36Å; D113-N116 PolarHBondContact O-N 3.34Å; D113-V117 WeakPolarHBondContact O-CG2 3.37Å; D113-V117 PolarHBondContact O-N 3.29Å
114R91.6Very high92.9Very high98 Ų9882.6 Ų82.637%0.3745%0.446SS..Hα-helixtrans-61.4-45178-68.5-62.796.8169.40.4111.9I110 S111 L112 V117 L118I110-R114 HydrophobicContact CG2-CG 4.42Å; I110-R114 VanDerWaalsContact O-CG 3.29Å; I110-R114 WeakPolarHBondContact O-CG 3.35Å; I110-R114 PolarHBondContact O-N 2.95Å; S111-R114 PolarHBondContact O-N 3.36Å; L112-R114 PolarHBondContact O-N 2.69Å; R114-V117 PolarHBondContact O-N 3.03Å; R114-L118 WeakPolarHBondContact O-CG 3.26Å; R114-L118 PolarHBondContact O-N 3.12Å; R114-L118 VanDerWaalsContact O-N 3.08Å
115M92.8Very high92.4Very high124 Ų12482.6 Ų82.661%0.61146%0.455SS*.Hα-helixtrans-61.9-44.1178.2-72.7-63.3-67.700112S111 L112 D113 V117 L118 L119S111-M115 VanDerWaalsContact O-CG 3.29Å; S111-M115 WeakPolarHBondContact O-CG 3.35Å; S111-M115 PolarHBondContact O-N 3.04Å; L112-M115 PolarHBondContact O-N 2.88Å; D113-M115 PolarHBondContact O-N 3.36Å; M115-V117 PolarHBondContact O-N 3.46Å; M115-L118 PolarHBondContact O-N 3.08Å; M115-L119 WeakPolarHBondContact O-CB 3.48Å; M115-L119 PolarHBondContact O-N 3.26Å
116N90.1Very high91.6Very high104 Ų10486.4 Ų86.456%0.55648%0.478SS*.Hα-helixtrans-63.5-40.6178.5-77.5-14000112.4L112 D113 L118 L119 S120L112-N116 WeakPolarHBondContact O-CB 3.26Å; L112-N116 PolarHBondContact O-N 3.43Å; D113-N116 PolarHBondContact O-N 3.34Å; N116-L118 VanDerWaalsContact C-N 3.35Å; N116-L119 PolarHBondContact O-N 3.33Å; N116-S120 WeakPolarHBondContact O-CB 3.42Å; N116-S120 PolarHBondContact O-N 3.22Å
117V89.4Confident91.3Very high54 Ų5490.2 Ų90.233%0.32750%0.499SS..Hα-helixtrans-63.2-42.41761710000111.2D113 R114 M115 K121D113-V117 WeakPolarHBondContact O-CG2 3.37Å; D113-V117 PolarHBondContact O-N 3.29Å; R114-V117 PolarHBondContact O-N 3.03Å; M115-V117 PolarHBondContact O-N 3.46Å; V117-K121 HydrophobicContact CG1-CD 4.37Å; V117-K121 VanDerWaalsContact O-CG 3.31Å; V117-K121 WeakPolarHBondContact O-CG 3.35Å; V117-K121 PolarHBondContact O-N 3.3Å; V117-K121 VanDerWaalsContact O-N 3.11Å
118L91.6Very high91Very high108 Ų10890.5 Ų90.557%0.56550%0.502SS*.Hα-helixtrans-66.2-44.3177.8-69.4170.9000111.8R114 M115 N116 K121 L122R114-L118 WeakPolarHBondContact O-CG 3.26Å; R114-L118 PolarHBondContact O-N 3.12Å; R114-L118 VanDerWaalsContact O-N 3.08Å; M115-L118 PolarHBondContact O-N 3.08Å; N116-L118 VanDerWaalsContact C-N 3.35Å; L118-K121 PolarHBondContact O-N 3.02Å; L118-L122 PolarHBondContact O-N 3.35Å
119L92.7Very high90.6Very high97 Ų9791.7 Ų91.751%0.50851%0.506SS..Hα-helixtrans-62.1-45.6178.5-177.264.2000111.6M115 N116 K121 L122 I123M115-L119 WeakPolarHBondContact O-CB 3.48Å; M115-L119 PolarHBondContact O-N 3.26Å; N116-L119 PolarHBondContact O-N 3.33Å; L119-K121 VanDerWaalsContact C-N 3.32Å; L119-K121 PolarHBondContact O-N 3.41Å; L119-L122 PolarHBondContact O-N 3.02Å; L119-I123 HydrophobicContact CD1-CD1 4.32Å; L119-I123 HydrophobicContact CG-CD1 4.05Å; L119-I123 WeakPolarHBondContact O-CG1 3.33Å; L119-I123 PolarHBondContact O-N 3.25Å
120S87.4Confident90.3Very high70 Ų7094.2 Ų94.249%0.4952%0.517SS..Hα-helixtrans-60.9-40.9176.8174.70000112N116 I123 C124N116-S120 WeakPolarHBondContact O-CB 3.42Å; N116-S120 PolarHBondContact O-N 3.22Å; S120-I123 PolarHBondContact O-N 2.77Å; S120-C124 PolarHBondContact O-N 3.43Å; S120-C124 VanDerWaalsContact O-N 3.13Å
121K89.5Confident90Very high143 Ų14398.9 Ų98.962%0.62254%0.543SS*.Hα-helixtrans-63.7-39.8175.5-75.9179178.6-170.20112.7V117 L118 L119 A125V117-K121 HydrophobicContact CG1-CD 4.37Å; V117-K121 VanDerWaalsContact O-CG 3.31Å; V117-K121 WeakPolarHBondContact O-CG 3.35Å; V117-K121 PolarHBondContact O-N 3.3Å; V117-K121 VanDerWaalsContact O-N 3.11Å; L118-K121 PolarHBondContact O-N 3.02Å; L119-K121 VanDerWaalsContact C-N 3.32Å; L119-K121 PolarHBondContact O-N 3.41Å; K121-A125 PolarHBondContact O-N 3.18Å
122L92Very high89.6Confident107 Ų107100.9 Ų100.956%0.5655%0.547SS*.Hα-helixtrans-64.8-44.8177.8-176.467.3000111.4L118 L119 C124 A125 L126L118-L122 PolarHBondContact O-N 3.35Å; L119-L122 PolarHBondContact O-N 3.02Å; L122-C124 VanDerWaalsContact C-N 3.33Å; L122-C124 PolarHBondContact O-N 3.05Å; L122-A125 PolarHBondContact O-N 3.07Å; L122-A125 VanDerWaalsContact O-N 3.13Å; L122-L126 HydrophobicContact CG-CD1 4.49Å; L122-L126 PolarHBondContact O-N 3.17Å
123I89.4Confident89.2Confident105 Ų105100.8 Ų100.854%0.53855%0.548SS..Hα-helixtrans-62.3-40.4179-67.3167000111.2L119 S120 A125 L126L119-I123 HydrophobicContact CD1-CD1 4.32Å; L119-I123 HydrophobicContact CG-CD1 4.05Å; L119-I123 WeakPolarHBondContact O-CG1 3.33Å; L119-I123 PolarHBondContact O-N 3.25Å; S120-I123 PolarHBondContact O-N 2.77Å; I123-A125 PolarHBondContact O-N 2.99Å; I123-L126 PolarHBondContact O-N 3.01Å
124C83.3Confident89Confident109 Ų109107.4 Ų107.474%0.73658%0.584SS**Hα-helixtrans-72.6-12.9177.4-71.60000114.4S120 L122S120-C124 PolarHBondContact O-N 3.43Å; S120-C124 VanDerWaalsContact O-N 3.13Å; L122-C124 VanDerWaalsContact C-N 3.33Å; L122-C124 PolarHBondContact O-N 3.05Å
125A85.9Confident88.8Confident84 Ų84108.2 Ų108.269%0.69460%0.602SS**Hα-helixtrans-92.8-11.9178.200000113.3K121 L122 I123K121-A125 PolarHBondContact O-N 3.18Å; L122-A125 PolarHBondContact O-N 3.07Å; L122-A125 VanDerWaalsContact O-N 3.13Å; I123-A125 PolarHBondContact O-N 2.99Å
126L81.2Confident88.4Confident193 Ų193106.7 Ų106.7100%1.0160%0.601SS**  trans-95.80175.8-69.3168.2000110.4L122 I123L122-L126 HydrophobicContact CG-CD1 4.49Å; L122-L126 PolarHBondContact O-N 3.17Å; I123-L126 PolarHBondContact O-N 3.01Å

Retrieved 126 of 126 residues in 126.5 ms (Link to these results)

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