A0A087WSQ5_MOUSE Loading...

Signal transducer and activator of transcription 1

AlphaFold DB , UniProt , Accession A0A087WSQ5, Species MOUSE (Mus musculus, Mouse), Gene Stat1, Length 154 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
1M76Confident93.4Very high178 Ų17866.7 Ų66.788%0.87732%0.324SS*.  0140.10-161.6159.2-112.300106.3F5M1-F5 HydrophobicContact CE-CD1 3.57Å; M1-F5 HydrophobicContact CE-CE1 3.22Å; M1-F5 HydrophobicContact CE-CG 4.39Å; M1-F5 HydrophobicContact CE-CZ 3.81Å; M1-F5 HydrophobicContact CG-CB 4.11Å; M1-F5 HydrophobicContact CG-CD1 3.41Å; M1-F5 VanDerWaalsContact CG-CD1 3.41Å; M1-F5 HydrophobicContact CG-CE1 4.12Å; M1-F5 HydrophobicContact CG-CG 3.96Å; M1-F5 HydrophobicContact SD-CD1 3.38Å; M1-F5 WeakPolarHBondContact SD-CD1 3.42Å; M1-F5 HydrophobicContact SD-CE1 3.5Å; M1-F5 WeakPolarHBondContact SD-CE1 3.48Å; M1-F5 HydrophobicContact SD-CG 4.42Å
2S91.8Very high93.5Very high20 Ų2069.5 Ų69.514%0.1436%0.355CS..  trans-80.5151.6-178.850.20000110.9W4 F5 E6 E39S2-W4 PolarHBondContact O-N 3.35Å; S2-F5 WeakPolarHBondContact O-CB 3.38Å; S2-F5 PolarHBondContact O-N 3.41Å; S2-F5 PolarHBondContact OG-N 3.2Å; S2-E6 PolarHBondContact O-N 3.21Å; S2-E39 WeakPolarHBondContact CA-OE2 3.32Å; S2-E39 WeakPolarHBondContact CB-OE2 3.4Å
3Q95.4Very high93.5Very high25 Ų2570.1 Ų70.112%0.11735%0.353CS..Hα-helixtrans-54.6-38.8171.1-177.5-175.8-6.300110.7F5 E6 L7 E39 L109 E112 R113 L116Q3-F5 VanDerWaalsContact C-N 3.3Å; Q3-F5 PolarHBondContact O-N 3.46Å; Q3-E6 PolarHBondContact O-N 3.49Å; Q3-L7 WeakPolarHBondContact O-CG 3.4Å; Q3-L7 PolarHBondContact O-N 3.5Å; Q3-E39 HydrophobicContact CB-CG 4.19Å; Q3-E39 WeakPolarHBondContact CB-OE1 3.42Å; Q3-E39 VanDerWaalsContact N-CD 3.32Å; Q3-E39 PolarHBondContact N-OE1 3.49Å; Q3-E39 PolarHBondContact N-OE2 2.99Å; Q3-L109 PolarHBondContact NE2-O 3.5Å; Q3-L109 VanDerWaalsContact NE2-O 3.07Å; Q3-E112 PolarHBondContact NE2-OE2 3.25Å; Q3-R113 VanDerWaalsContact NE2-CG 3.27Å; Q3-L116 HydrophobicContact CG-CD1 3.72Å
4W97.1Very high93.6Very high17 Ų1765.9 Ų65.96%0.06433%0.332CS..Hα-helixtrans-57-41.7174.7-171-110.6000113.5S2 E6 L7 Q8 V18 Y22 M28 R31 Q32 A35 E39S2-W4 PolarHBondContact O-N 3.35Å; W4-E6 VanDerWaalsContact C-N 3.33Å; W4-L7 HydrophobicContact CE3-CD1 4.04Å; W4-L7 HydrophobicContact CZ3-CD1 4.4Å; W4-L7 PolarHBondContact O-N 3.01Å; W4-Q8 WeakPolarHBondContact O-CG 3.31Å; W4-Q8 PolarHBondContact O-N 3.43Å; W4-V18 HydrophobicContact CH2-CG1 4.31Å; W4-V18 HydrophobicContact CZ3-CG1 4.1Å; W4-Y22 HydrophobicContact CH2-CE2 4.49Å; W4-Y22 AromaticContact CZ3-CE2 3.98Å; W4-Y22 HydrophobicContact CZ3-CE2 3.98Å; W4-M28 HydrophobicContact CH2-CE 4.26Å; W4-M28 HydrophobicContact CH2-CG 3.65Å; W4-M28 HydrophobicContact CH2-SD 3.93Å; W4-M28 HydrophobicContact CZ2-CG 4.04Å; W4-M28 HydrophobicContact CZ2-SD 4.31Å; W4-R31 HydrophobicContact CD2-CG 4.28Å; W4-R31 HydrophobicContact CE3-CG 3.62Å; W4-R31 HydrophobicContact CH2-CG 4.24Å; W4-R31 HydrophobicContact CZ3-CG 3.6Å; W4-Q32 HydrophobicContact CZ2-CB 4.08Å; W4-A35 HydrophobicContact CB-CB 3.67Å; W4-A35 HydrophobicContact CG-CB 4.17Å; W4-E39 PolarHBondContact N-OE1 3.36Å
5F95.9Very high93.7Very high78 Ų7865.1 Ų65.134%0.34233%0.328SS..Hα-helixtrans-66-40.6179.5179.5-88.2000110.8M1 S2 Q3 Q8 Q9M1-F5 HydrophobicContact CE-CD1 3.57Å; M1-F5 HydrophobicContact CE-CE1 3.22Å; M1-F5 HydrophobicContact CE-CG 4.39Å; M1-F5 HydrophobicContact CE-CZ 3.81Å; M1-F5 HydrophobicContact CG-CB 4.11Å; M1-F5 HydrophobicContact CG-CD1 3.41Å; M1-F5 VanDerWaalsContact CG-CD1 3.41Å; M1-F5 HydrophobicContact CG-CE1 4.12Å; M1-F5 HydrophobicContact CG-CG 3.96Å; M1-F5 HydrophobicContact SD-CD1 3.38Å; M1-F5 WeakPolarHBondContact SD-CD1 3.42Å; M1-F5 HydrophobicContact SD-CE1 3.5Å; M1-F5 WeakPolarHBondContact SD-CE1 3.48Å; M1-F5 HydrophobicContact SD-CG 4.42Å; S2-F5 WeakPolarHBondContact O-CB 3.38Å; S2-F5 PolarHBondContact O-N 3.41Å; S2-F5 PolarHBondContact OG-N 3.2Å; Q3-F5 VanDerWaalsContact C-N 3.3Å; Q3-F5 PolarHBondContact O-N 3.46Å; F5-Q8 PolarHBondContact O-N 3.01Å; F5-Q9 HydrophobicContact CD1-CG 4.38Å; F5-Q9 HydrophobicContact CE1-CG 3.98Å; F5-Q9 HydrophobicContact CZ-CG 4.45Å; F5-Q9 WeakPolarHBondContact O-CG 3.38Å; F5-Q9 PolarHBondContact O-N 3.03Å
6E96Very high93.8Very high86 Ų8667.3 Ų67.340%0.40234%0.337SS..Hα-helixtrans-63.1-40.9177.7-65.6177.7-168.700111.9S2 Q3 W4 Q8 Q9 L116S2-E6 PolarHBondContact O-N 3.21Å; Q3-E6 PolarHBondContact O-N 3.49Å; W4-E6 VanDerWaalsContact C-N 3.33Å; E6-Q8 VanDerWaalsContact C-N 3.3Å; E6-Q8 PolarHBondContact O-N 3.45Å; E6-Q9 PolarHBondContact O-N 3.45Å; E6-Q9 VanDerWaalsContact O-N 3.13Å; E6-L116 HydrophobicContact CB-CD2 3.94Å
7L96.3Very high93.8Very high2 Ų267.8 Ų67.81%0.0134%0.338CS..Hα-helixtrans-59.2-41.7174.8-71.5166000112.1Q3 W4 Q9 L10 L15 V18 E112 I115 L116Q3-L7 WeakPolarHBondContact O-CG 3.4Å; Q3-L7 PolarHBondContact O-N 3.5Å; W4-L7 HydrophobicContact CE3-CD1 4.04Å; W4-L7 HydrophobicContact CZ3-CD1 4.4Å; W4-L7 PolarHBondContact O-N 3.01Å; L7-Q9 PolarHBondContact O-N 3.46Å; L7-Q9 VanDerWaalsContact O-N 3.16Å; L7-L10 HydrophobicContact CD2-CD1 4.01Å; L7-L10 WeakPolarHBondContact O-CB 3.44Å; L7-L10 WeakPolarHBondContact O-CG 3.43Å; L7-L10 PolarHBondContact O-N 3.2Å; L7-L10 VanDerWaalsContact O-N 3.08Å; L7-L15 WeakPolarHBondContact O-CD2 3.49Å; L7-V18 HydrophobicContact CD2-CG2 3.85Å; L7-E112 HydrophobicContact CD1-CB 3.79Å; L7-E112 HydrophobicContact CD1-CG 3.5Å; L7-E112 WeakPolarHBondContact CD1-OE1 3.47Å; L7-E112 HydrophobicContact CD2-CB 4.35Å; L7-I115 HydrophobicContact CD2-CG2 4.33Å; L7-L116 HydrophobicContact CD2-CD1 4.24Å; L7-L116 HydrophobicContact CD2-CD2 3.94Å; L7-L116 HydrophobicContact CD2-CG 3.71Å; L7-L116 HydrophobicContact CG-CD1 4.35Å; L7-L116 HydrophobicContact CG-CD2 4.27Å; L7-L116 HydrophobicContact CG-CG 4.26Å
8Q95.3Very high93.9Very high86 Ų8664.4 Ų64.440%0.40232%0.321SS..Hα-helixtrans-65.2-15.4179.5-70.8-178.4-31.700113.6W4 F5 E6W4-Q8 WeakPolarHBondContact O-CG 3.31Å; W4-Q8 PolarHBondContact O-N 3.43Å; F5-Q8 PolarHBondContact O-N 3.01Å; E6-Q8 VanDerWaalsContact C-N 3.3Å; E6-Q8 PolarHBondContact O-N 3.45Å
9Q95Very high93.8Very high128 Ų12866.8 Ų66.860%0.59833%0.331SS*.THydrogen-bonded Turntrans-90.4-2175.9-55.3-50.5-61.500113.5F5 E6 L7F5-Q9 HydrophobicContact CD1-CG 4.38Å; F5-Q9 HydrophobicContact CE1-CG 3.98Å; F5-Q9 HydrophobicContact CZ-CG 4.45Å; F5-Q9 WeakPolarHBondContact O-CG 3.38Å; F5-Q9 PolarHBondContact O-N 3.03Å; E6-Q9 PolarHBondContact O-N 3.45Å; E6-Q9 VanDerWaalsContact O-N 3.13Å; L7-Q9 PolarHBondContact O-N 3.46Å; L7-Q9 VanDerWaalsContact O-N 3.16Å
10L95.3Very high93.7Very high31 Ų3170.6 Ų70.616%0.16235%0.348CS..SBendtrans-76.9159.4-178.5-60.6-177.1000112.7L7 F14 I115 L116 A119L7-L10 HydrophobicContact CD2-CD1 4.01Å; L7-L10 WeakPolarHBondContact O-CB 3.44Å; L7-L10 WeakPolarHBondContact O-CG 3.43Å; L7-L10 PolarHBondContact O-N 3.2Å; L7-L10 VanDerWaalsContact O-N 3.08Å; L10-F14 HydrophobicContact CB-CB 3.86Å; L10-F14 HydrophobicContact CB-CD2 4.43Å; L10-F14 HydrophobicContact CD1-CB 3.76Å; L10-F14 HydrophobicContact CD1-CG 4.4Å; L10-F14 HydrophobicContact CG-CB 4.44Å; L10-I115 HydrophobicContact CD1-CG2 3.85Å; L10-L116 HydrophobicContact CD1-CD2 4.04Å; L10-L116 HydrophobicContact CD2-CD2 4.2Å; L10-L116 HydrophobicContact CG-CD2 4.32Å; L10-A119 HydrophobicContact CD1-CB 4.17Å; L10-A119 HydrophobicContact CD2-CB 3.6Å; L10-A119 HydrophobicContact CG-CB 4.46Å
11D93.6Very high93.6Very high83 Ų8369.2 Ų69.244%0.44434%0.342SS..  trans-59.4153.2171.3-63.9-38.5000112K13 F14 L15D11-K13 HydrophobicContact CB-CG 4.28Å; D11-K13 PolarHBondContact O-N 2.87Å; D11-F14 HydrophobicContact CB-CD2 4.16Å; D11-F14 PolarHBondContact O-N 3.21Å; D11-L15 PolarHBondContact O-N 3.43Å; D11-L15 VanDerWaalsContact O-N 3.16Å
12S93.8Very high94.3Very high100 Ų10061.8 Ų61.870%0.69930%0.304SS*.Hα-helixtrans-50.6-36.5-176.860.30000114.5F14 L15 E16S12-F14 VanDerWaalsContact C-N 3.27Å; S12-F14 PolarHBondContact O-N 3.02Å; S12-L15 PolarHBondContact O-N 3.29Å; S12-E16 PolarHBondContact O-N 3.04Å
13K94.4Very high93.9Very high77 Ų7765.6 Ų65.634%0.33532%0.323SS..Hα-helixtrans-65-26.6178.370.1-176.1-177.8-179.90114.2D11 Q17 F122D11-K13 HydrophobicContact CB-CG 4.28Å; D11-K13 PolarHBondContact O-N 2.87Å; K13-Q17 PolarHBondContact O-NE2 3.04Å; K13-F122 VanDerWaalsContact NZ-CG 3.32Å
14F95.2Very high92.8Very high12 Ų1272 Ų725%0.05336%0.358CS..Hα-helixtrans-89.1-35.6175.8-64.4-65.6000110.3L10 D11 S12 E16 Q17 V18 I115 N118 A119 F122L10-F14 HydrophobicContact CB-CB 3.86Å; L10-F14 HydrophobicContact CB-CD2 4.43Å; L10-F14 HydrophobicContact CD1-CB 3.76Å; L10-F14 HydrophobicContact CD1-CG 4.4Å; L10-F14 HydrophobicContact CG-CB 4.44Å; D11-F14 HydrophobicContact CB-CD2 4.16Å; D11-F14 PolarHBondContact O-N 3.21Å; S12-F14 VanDerWaalsContact C-N 3.27Å; S12-F14 PolarHBondContact O-N 3.02Å; F14-E16 PolarHBondContact O-N 2.99Å; F14-Q17 WeakPolarHBondContact O-CA 3.42Å; F14-Q17 WeakPolarHBondContact O-CB 3.47Å; F14-Q17 PolarHBondContact O-N 3.48Å; F14-V18 WeakPolarHBondContact O-CG2 3.34Å; F14-V18 PolarHBondContact O-N 2.78Å; F14-I115 HydrophobicContact CB-CG2 4.01Å; F14-I115 HydrophobicContact CD1-CG2 4.28Å; F14-N118 HydrophobicContact CE1-CB 4.43Å; F14-A119 HydrophobicContact CD1-CB 4.15Å; F14-A119 HydrophobicContact CD2-CB 3.67Å; F14-A119 HydrophobicContact CE1-CB 4.05Å; F14-A119 HydrophobicContact CE2-CB 3.52Å; F14-A119 HydrophobicContact CG-CB 3.99Å; F14-A119 HydrophobicContact CZ-CB 3.76Å; F14-F122 HydrophobicContact CE2-CB 4.45Å; F14-F122 HydrophobicContact CZ-CB 3.84Å; F14-F122 HydrophobicContact CZ-CG 4.15Å
15L94.8Very high91.8Very high53 Ų5373.5 Ų73.528%0.27737%0.371SS..Hα-helixtrans-58.6-37.1170.5-67.2176.6000111.9L7 D11 S12 Q17 V18 H19L7-L15 WeakPolarHBondContact O-CD2 3.49Å; D11-L15 PolarHBondContact O-N 3.43Å; D11-L15 VanDerWaalsContact O-N 3.16Å; S12-L15 PolarHBondContact O-N 3.29Å; L15-Q17 VanDerWaalsContact C-N 3.3Å; L15-Q17 PolarHBondContact O-N 2.9Å; L15-V18 CarbonylContact O-C 3.58Å; L15-V18 WeakPolarHBondContact O-CA 3.39Å; L15-V18 WeakPolarHBondContact O-CB 3.47Å; L15-V18 PolarHBondContact O-N 3.32Å; L15-V18 VanDerWaalsContact O-N 3.11Å; L15-H19 PolarHBondContact O-CD2 3.4Å; L15-H19 PolarHBondContact O-N 3.44Å
16E94.7Very high91.5Very high101 Ų10170 Ų7047%0.47236%0.356SS..Hα-helixtrans-61.4-37.8173.2-173.657.7-146.600112.4S12 F14 V18 H19 Q20S12-E16 PolarHBondContact O-N 3.04Å; F14-E16 PolarHBondContact O-N 2.99Å; E16-V18 VanDerWaalsContact C-N 3.33Å; E16-H19 PolarHBondContact O-N 2.91Å; E16-Q20 WeakPolarHBondContact O-CG 3.33Å; E16-Q20 PolarHBondContact O-N 3.35Å; E16-Q20 VanDerWaalsContact O-N 3.08Å; E16-Q20 PolarHBondContact OE1-NE2 3.39Å
17Q94.3Very high91.2Very high76 Ų7667.1 Ų67.136%0.35534%0.344SS..Hα-helixtrans-67-36.7173.7-66.1170.151.600111.5K13 F14 L15 Q20 L21 I115K13-Q17 PolarHBondContact O-NE2 3.04Å; F14-Q17 WeakPolarHBondContact O-CA 3.42Å; F14-Q17 WeakPolarHBondContact O-CB 3.47Å; F14-Q17 PolarHBondContact O-N 3.48Å; L15-Q17 VanDerWaalsContact C-N 3.3Å; L15-Q17 PolarHBondContact O-N 2.9Å; Q17-Q20 PolarHBondContact O-N 3.01Å; Q17-L21 PolarHBondContact O-N 3.3Å; Q17-I115 HydrophobicContact CB-CD1 3.88Å; Q17-I115 HydrophobicContact CB-CG1 4.26Å
18V95.1Very high91Very high6 Ų669.1 Ų69.14%0.03635%0.354CS..Hα-helixtrans-64-42.7173-179.70000110.2W4 L7 F14 L15 E16 Q20 L21 Y22 M28 I115W4-V18 HydrophobicContact CH2-CG1 4.31Å; W4-V18 HydrophobicContact CZ3-CG1 4.1Å; L7-V18 HydrophobicContact CD2-CG2 3.85Å; F14-V18 WeakPolarHBondContact O-CG2 3.34Å; F14-V18 PolarHBondContact O-N 2.78Å; L15-V18 CarbonylContact O-C 3.58Å; L15-V18 WeakPolarHBondContact O-CA 3.39Å; L15-V18 WeakPolarHBondContact O-CB 3.47Å; L15-V18 PolarHBondContact O-N 3.32Å; L15-V18 VanDerWaalsContact O-N 3.11Å; E16-V18 VanDerWaalsContact C-N 3.33Å; V18-Q20 VanDerWaalsContact C-N 3.31Å; V18-Q20 PolarHBondContact O-N 3.46Å; V18-L21 WeakPolarHBondContact O-CB 3.41Å; V18-L21 PolarHBondContact O-N 3.36Å; V18-L21 VanDerWaalsContact O-N 3.14Å; V18-Y22 HydrophobicContact CG1-CD2 4.26Å; V18-Y22 HydrophobicContact CG1-CE2 4.06Å; V18-Y22 WeakPolarHBondContact O-CD2 3.33Å; V18-M28 HydrophobicContact CG1-CE 4.49Å; V18-I115 HydrophobicContact CG2-CD1 3.96Å; V18-I115 HydrophobicContact CG2-CG2 4.26Å
19H92.2Very high90.9Very high110 Ų11069 Ų6951%0.50935%0.354SS..Hα-helixtrans-59.9-40.2176.6-77.6-59.1000112.9L15 E16 L21 Y22L15-H19 PolarHBondContact O-CD2 3.4Å; L15-H19 PolarHBondContact O-N 3.44Å; E16-H19 PolarHBondContact O-N 2.91Å; H19-L21 PolarHBondContact O-N 3.46Å; H19-Y22 PolarHBondContact O-N 3.01Å
20Q91.8Very high90.8Very high143 Ų14363 Ų6367%0.66833%0.326SS*.Hα-helixtrans-68.8-18.7178.5-69.11711300113.8E16 Q17 V18E16-Q20 WeakPolarHBondContact O-CG 3.33Å; E16-Q20 PolarHBondContact O-N 3.35Å; E16-Q20 VanDerWaalsContact O-N 3.08Å; E16-Q20 PolarHBondContact OE1-NE2 3.39Å; Q17-Q20 PolarHBondContact O-N 3.01Å; V18-Q20 VanDerWaalsContact C-N 3.31Å; V18-Q20 PolarHBondContact O-N 3.46Å
21L91.4Very high90.8Very high41 Ų4161.6 Ų61.622%0.21532%0.318CS..Hα-helixtrans-76.4-27.8178.4-176.762.8000113Q17 V18 H19 C108 E111 E112Q17-L21 PolarHBondContact O-N 3.3Å; V18-L21 WeakPolarHBondContact O-CB 3.41Å; V18-L21 PolarHBondContact O-N 3.36Å; V18-L21 VanDerWaalsContact O-N 3.14Å; H19-L21 PolarHBondContact O-N 3.46Å; L21-C108 HydrophobicContact CD2-CB 4.28Å; L21-C108 WeakPolarHBondContact CD2-O 3.41Å; L21-C108 HydrophobicContact CG-CB 4.43Å; L21-E111 HydrophobicContact CD1-CB 3.76Å; L21-E111 HydrophobicContact CD1-CG 4.07Å; L21-E111 HydrophobicContact CD2-CB 4.06Å; L21-E112 HydrophobicContact CD2-CG 3.74Å
22Y91Very high90.9Very high23 Ų2361.2 Ų61.29%0.0931%0.314CS..  trans-105.7105.6-174.6-70.4-79.8000110.3W4 V18 H19 F26 M28 R31 C108 E112W4-Y22 HydrophobicContact CH2-CE2 4.49Å; W4-Y22 AromaticContact CZ3-CE2 3.98Å; W4-Y22 HydrophobicContact CZ3-CE2 3.98Å; V18-Y22 HydrophobicContact CG1-CD2 4.26Å; V18-Y22 HydrophobicContact CG1-CE2 4.06Å; V18-Y22 WeakPolarHBondContact O-CD2 3.33Å; H19-Y22 PolarHBondContact O-N 3.01Å; Y22-F26 HydrophobicContact CD1-CD1 4.31Å; Y22-F26 WeakPolarHBondContact CD1-O 3.39Å; Y22-F26 AromaticContact CE1-CD1 3.91Å; Y22-F26 HydrophobicContact CE1-CD1 3.91Å; Y22-F26 HydrophobicContact CE1-CE1 4.35Å; Y22-M28 HydrophobicContact CD1-CB 4.32Å; Y22-M28 HydrophobicContact CD2-CE 3.52Å; Y22-M28 HydrophobicContact CE2-CE 4.46Å; Y22-M28 HydrophobicContact CG-CB 4.09Å; Y22-M28 HydrophobicContact CG-CE 3.87Å; Y22-M28 HydrophobicContact CG-CG 4.4Å; Y22-R31 HydrophobicContact CD1-CB 4.44Å; Y22-R31 HydrophobicContact CE1-CB 3.69Å; Y22-R31 HydrophobicContact CE1-CG 3.75Å; Y22-R31 HydrophobicContact CE2-CG 4.35Å; Y22-R31 WeakPolarHBondContact OH-CD 3.4Å; Y22-R31 WeakPolarHBondContact OH-CG 3.5Å; Y22-R31 PolarHBondContact OH-NE 3.04Å; Y22-C108 HydrophobicContact CE1-CB 4.38Å; Y22-E112 VanDerWaalsContact OH-CD 3.31Å; Y22-E112 PolarHBondContact OH-OE1 3.11Å
23D82.6Confident91Very high99 Ų9959.4 Ų59.453%0.52929%0.292SS..  trans-107.4-165.7172.467.35.8000111.2S25D23-S25 PolarHBondContact O-N 2.89Å; D23-S25 VanDerWaalsContact O-N 3.12Å; D23-S25 WeakPolarHBondContact OD1-CA 3.26Å; D23-S25 WeakPolarHBondContact OD1-CB 3.49Å; D23-S25 PolarHBondContact OD1-N 2.93Å; D23-S25 PolarHBondContact OD1-OG 2.66Å; D23-S25 PolarHBondContact OD2-OG 3.24Å
24D72.3Confident91.1Very high161 Ų16156 Ų5686%0.86128%0.277SS*.THydrogen-bonded Turntrans-65.3-10.1178-72-33.4000113.7
25S77.9Confident91.3Very high48 Ų4855.6 Ų55.634%0.33628%0.277SS..THydrogen-bonded Turntrans-74.8-42.2-177.3-45.50000112.2D23 F94D23-S25 PolarHBondContact O-N 2.89Å; D23-S25 VanDerWaalsContact O-N 3.12Å; D23-S25 WeakPolarHBondContact OD1-CA 3.26Å; D23-S25 WeakPolarHBondContact OD1-CB 3.49Å; D23-S25 PolarHBondContact OD1-N 2.93Å; D23-S25 PolarHBondContact OD1-OG 2.66Å; D23-S25 PolarHBondContact OD2-OG 3.24Å; S25-F94 WeakPolarHBondContact O-CE2 3.47Å; S25-F94 VanDerWaalsContact O-CZ 3.27Å; S25-F94 WeakPolarHBondContact O-CZ 3.34Å
26F88.2Confident91.3Very high4 Ų459.4 Ų59.42%0.01829%0.293CS..SBendtrans-137.7109.9174.3-174.3-108.2000110.4Y22 M28 I30 R31 L38 L90 I104 I105Y22-F26 HydrophobicContact CD1-CD1 4.31Å; Y22-F26 WeakPolarHBondContact CD1-O 3.39Å; Y22-F26 AromaticContact CE1-CD1 3.91Å; Y22-F26 HydrophobicContact CE1-CD1 3.91Å; Y22-F26 HydrophobicContact CE1-CE1 4.35Å; F26-M28 PolarHBondContact O-N 3.11Å; F26-I30 HydrophobicContact CE2-CG2 4.05Å; F26-I30 HydrophobicContact CZ-CB 4.33Å; F26-I30 HydrophobicContact CZ-CG2 3.83Å; F26-R31 HydrophobicContact CE1-CB 3.99Å; F26-L38 HydrophobicContact CE1-CD1 4.45Å; F26-L38 HydrophobicContact CZ-CD1 4.07Å; F26-L38 HydrophobicContact CZ-CD2 4.25Å; F26-L90 HydrophobicContact CD2-CD2 4.34Å; F26-I104 HydrophobicContact CB-CG2 3.69Å; F26-I104 HydrophobicContact CG-CG2 4.47Å; F26-I105 HydrophobicContact CD2-CD1 4.37Å; F26-I105 HydrophobicContact CD2-CG1 3.95Å; F26-I105 HydrophobicContact CE1-CG1 4.24Å; F26-I105 HydrophobicContact CE2-CD1 3.73Å; F26-I105 HydrophobicContact CE2-CG1 3.64Å; F26-I105 HydrophobicContact CG-CG1 4.39Å; F26-I105 HydrophobicContact CZ-CD1 4.06Å; F26-I105 HydrophobicContact CZ-CG1 3.8Å
27P90Very high91.5Very high25 Ų2556.6 Ų56.616%0.16228%0.278CS..  trans-70.2133-169.126.3-34.8000112.6E29 I30 R31P27-E29 WeakPolarHBondContact CB-OE2 3.35Å; P27-E29 PolarHBondContact O-N 3Å; P27-E29 VanDerWaalsContact O-N 3.16Å; P27-I30 HydrophobicContact CG-CB 4.13Å; P27-I30 HydrophobicContact CG-CD1 3.54Å; P27-I30 HydrophobicContact CG-CG1 3.66Å; P27-I30 PolarHBondContact O-N 3.14Å; P27-R31 PolarHBondContact O-N 2.99Å
28M93.1Very high91.6Very high45 Ų4553 Ų5322%0.22226%0.261CS..Hα-helixtrans-58-29.3178.3-174.7178.7-75.100112.5W4 V18 Y22 F26 I30 R31 Q32W4-M28 HydrophobicContact CH2-CE 4.26Å; W4-M28 HydrophobicContact CH2-CG 3.65Å; W4-M28 HydrophobicContact CH2-SD 3.93Å; W4-M28 HydrophobicContact CZ2-CG 4.04Å; W4-M28 HydrophobicContact CZ2-SD 4.31Å; V18-M28 HydrophobicContact CG1-CE 4.49Å; Y22-M28 HydrophobicContact CD1-CB 4.32Å; Y22-M28 HydrophobicContact CD2-CE 3.52Å; Y22-M28 HydrophobicContact CE2-CE 4.46Å; Y22-M28 HydrophobicContact CG-CB 4.09Å; Y22-M28 HydrophobicContact CG-CE 3.87Å; Y22-M28 HydrophobicContact CG-CG 4.4Å; F26-M28 PolarHBondContact O-N 3.11Å; M28-I30 VanDerWaalsContact C-N 3.34Å; M28-I30 PolarHBondContact O-N 3.02Å; M28-R31 WeakPolarHBondContact O-CB 3.47Å; M28-R31 PolarHBondContact O-N 3.29Å; M28-Q32 WeakPolarHBondContact O-CB 3.42Å; M28-Q32 PolarHBondContact O-N 3.15Å
29E91.4Very high91.8Very high84 Ų8455.2 Ų55.239%0.39327%0.271SS..Hα-helixtrans-60.6-43.5175.8-63.187.3163.900111.6P27 Q32 Y33P27-E29 WeakPolarHBondContact CB-OE2 3.35Å; P27-E29 PolarHBondContact O-N 3Å; P27-E29 VanDerWaalsContact O-N 3.16Å; E29-Q32 PolarHBondContact O-N 2.96Å; E29-Y33 HydrophobicContact CB-CD2 4.25Å; E29-Y33 HydrophobicContact CB-CE2 4.05Å; E29-Y33 WeakPolarHBondContact O-CD2 3.49Å; E29-Y33 PolarHBondContact O-N 3.38Å
30I94.1Very high92Very high0 Ų057.7 Ų57.70%028%0.28CS..Hα-helixtrans-66.5-45.2176.8-64.3-173.7000109.5F26 P27 M28 Q32 Y33 L34 L60 L64 L90F26-I30 HydrophobicContact CE2-CG2 4.05Å; F26-I30 HydrophobicContact CZ-CB 4.33Å; F26-I30 HydrophobicContact CZ-CG2 3.83Å; P27-I30 HydrophobicContact CG-CB 4.13Å; P27-I30 HydrophobicContact CG-CD1 3.54Å; P27-I30 HydrophobicContact CG-CG1 3.66Å; P27-I30 PolarHBondContact O-N 3.14Å; M28-I30 VanDerWaalsContact C-N 3.34Å; M28-I30 PolarHBondContact O-N 3.02Å; I30-Q32 PolarHBondContact O-N 3.26Å; I30-Y33 PolarHBondContact O-N 3.42Å; I30-L34 HydrophobicContact CG2-CD1 4.15Å; I30-L34 WeakPolarHBondContact O-CB 3.2Å; I30-L34 PolarHBondContact O-N 3.23Å; I30-L60 HydrophobicContact CG2-CD1 4.08Å; I30-L64 HydrophobicContact CD1-CD1 4Å; I30-L64 HydrophobicContact CD1-CD2 4.21Å; I30-L64 HydrophobicContact CG1-CD2 4.04Å; I30-L64 HydrophobicContact CG2-CD2 4.42Å; I30-L90 HydrophobicContact CD1-CD1 3.32Å; I30-L90 HydrophobicContact CD1-CD2 4.4Å; I30-L90 HydrophobicContact CD1-CG 3.76Å
31R95.8Very high92.3Very high2 Ų252.7 Ų52.71%0.00826%0.257CS..Hα-helixtrans-52-44.9175.817365.6-175.397.3-7.8112.1W4 Y22 F26 P27 M28 A35 E39 E112W4-R31 HydrophobicContact CD2-CG 4.28Å; W4-R31 HydrophobicContact CE3-CG 3.62Å; W4-R31 HydrophobicContact CH2-CG 4.24Å; W4-R31 HydrophobicContact CZ3-CG 3.6Å; Y22-R31 HydrophobicContact CD1-CB 4.44Å; Y22-R31 HydrophobicContact CE1-CB 3.69Å; Y22-R31 HydrophobicContact CE1-CG 3.75Å; Y22-R31 HydrophobicContact CE2-CG 4.35Å; Y22-R31 WeakPolarHBondContact OH-CD 3.4Å; Y22-R31 WeakPolarHBondContact OH-CG 3.5Å; Y22-R31 PolarHBondContact OH-NE 3.04Å; F26-R31 HydrophobicContact CE1-CB 3.99Å; P27-R31 PolarHBondContact O-N 2.99Å; M28-R31 WeakPolarHBondContact O-CB 3.47Å; M28-R31 PolarHBondContact O-N 3.29Å; R31-A35 VanDerWaalsContact NH1-CA 3.31Å; R31-A35 WeakPolarHBondContact O-CA 3.36Å; R31-A35 WeakPolarHBondContact O-CB 3.36Å; R31-A35 PolarHBondContact O-N 3.06Å; R31-E39 IonicContact CZ-OE1 2.66Å; R31-E39 IonicContact NH1-OE1 3.39Å; R31-E39 PolarHBondContact NH1-OE1 3.39Å; R31-E39 IonicContact NH2-OE1 3.22Å; R31-E39 PolarHBondContact NH2-OE1 3.26Å; R31-E112 IonicContact CZ-OE1 2.67Å; R31-E112 IonicContact CZ-OE2 3.38Å; R31-E112 IonicContact NE-OE1 3Å; R31-E112 PolarHBondContact NE-OE1 3.29Å; R31-E112 IonicContact NE-OE2 3.55Å; R31-E112 PolarHBondContact NE-OE2 2.99Å; R31-E112 IonicContact NH2-OE1 2.63Å; R31-E112 IonicContact NH2-OE2 2.84Å; R31-E112 PolarHBondContact NH2-OE2 3.16Å
32Q95.6Very high92.6Very high76 Ų7654.7 Ų54.736%0.35527%0.268SS..Hα-helixtrans-72.1-55-178.2174.8171.1-7800111.9W4 M28 E29 I30 L34 A35W4-Q32 HydrophobicContact CZ2-CB 4.08Å; M28-Q32 WeakPolarHBondContact O-CB 3.42Å; M28-Q32 PolarHBondContact O-N 3.15Å; E29-Q32 PolarHBondContact O-N 2.96Å; I30-Q32 PolarHBondContact O-N 3.26Å; Q32-L34 VanDerWaalsContact C-N 3.27Å; Q32-L34 PolarHBondContact O-N 3.03Å; Q32-A35 WeakPolarHBondContact O-CB 3.17Å; Q32-A35 PolarHBondContact O-N 3.31Å
33Y95.4Very high92.9Very high62 Ų6253.9 Ų53.924%0.24327%0.265CS..Hα-helixtrans-68.9-28.5-172.2-65.8-49.9000113.1E29 I30 F71 L79 I83E29-Y33 HydrophobicContact CB-CD2 4.25Å; E29-Y33 HydrophobicContact CB-CE2 4.05Å; E29-Y33 WeakPolarHBondContact O-CD2 3.49Å; E29-Y33 PolarHBondContact O-N 3.38Å; I30-Y33 PolarHBondContact O-N 3.42Å; Y33-F71 AromaticContact CD1-CZ 3.7Å; Y33-F71 HydrophobicContact CD1-CZ 3.7Å; Y33-F71 HydrophobicContact CD2-CE2 4.27Å; Y33-F71 HydrophobicContact CD2-CZ 4.22Å; Y33-F71 HydrophobicContact CE1-CE1 4.41Å; Y33-F71 AromaticContact CE1-CZ 3.66Å; Y33-F71 HydrophobicContact CE1-CZ 3.66Å; Y33-F71 HydrophobicContact CE2-CE2 4.29Å; Y33-F71 HydrophobicContact CE2-CZ 4.18Å; Y33-F71 HydrophobicContact CG-CE2 4.39Å; Y33-F71 HydrophobicContact CG-CZ 4Å; Y33-F71 AromaticContact CZ-CZ 3.92Å; Y33-L79 HydrophobicContact CE1-CD1 4.48Å; Y33-L79 WeakPolarHBondContact OH-CD2 3.32Å; Y33-I83 HydrophobicContact CD2-CD1 3.81Å; Y33-I83 HydrophobicContact CE2-CD1 4.41Å
34L97.1Very high93.6Very high4 Ų453.9 Ų53.92%0.02126%0.262CS..THydrogen-bonded Turntrans-107.216.5179.2-59.1-174.6000113I30 Q32 Q36 W37 L38 L60 Q63 L64 Q67I30-L34 HydrophobicContact CG2-CD1 4.15Å; I30-L34 WeakPolarHBondContact O-CB 3.2Å; I30-L34 PolarHBondContact O-N 3.23Å; Q32-L34 VanDerWaalsContact C-N 3.27Å; Q32-L34 PolarHBondContact O-N 3.03Å; L34-Q36 VanDerWaalsContact C-N 3.34Å; L34-Q36 PolarHBondContact O-N 3.3Å; L34-W37 PolarHBondContact O-N 3.33Å; L34-L38 HydrophobicContact CB-CD1 4.03Å; L34-L38 HydrophobicContact CB-CG 4.04Å; L34-L38 WeakPolarHBondContact O-CG 3.31Å; L34-L38 PolarHBondContact O-N 2.93Å; L34-L60 HydrophobicContact CD1-CD1 3.42Å; L34-L60 VanDerWaalsContact CD1-CD1 3.42Å; L34-Q63 HydrophobicContact CD1-CB 3.72Å; L34-Q63 HydrophobicContact CD2-CB 3.87Å; L34-Q63 HydrophobicContact CG-CB 4.46Å; L34-L64 HydrophobicContact CD1-CD2 3.78Å; L34-L64 HydrophobicContact CD1-CG 4.08Å; L34-L64 HydrophobicContact CG-CD2 4.48Å; L34-Q67 HydrophobicContact CD2-CG 3.4Å; L34-Q67 HydrophobicContact CG-CG 4.43Å
35A97.6Very high94.8Very high5 Ų550.2 Ų50.24%0.04124%0.239CC..Hα-helixtrans-47.2-52.8-173.300000113.6W4 R31 Q32 W37 L38 E39W4-A35 HydrophobicContact CB-CB 3.67Å; W4-A35 HydrophobicContact CG-CB 4.17Å; R31-A35 VanDerWaalsContact NH1-CA 3.31Å; R31-A35 WeakPolarHBondContact O-CA 3.36Å; R31-A35 WeakPolarHBondContact O-CB 3.36Å; R31-A35 PolarHBondContact O-N 3.06Å; Q32-A35 WeakPolarHBondContact O-CB 3.17Å; Q32-A35 PolarHBondContact O-N 3.31Å; A35-W37 VanDerWaalsContact C-N 3.28Å; A35-W37 PolarHBondContact O-N 3.05Å; A35-L38 PolarHBondContact O-N 3.15Å; A35-E39 WeakPolarHBondContact O-CB 3.36Å; A35-E39 VanDerWaalsContact O-CD 3.3Å; A35-E39 WeakPolarHBondContact O-CG 2.99Å; A35-E39 PolarHBondContact O-N 3.38Å
36Q95.9Very high95.8Very high132 Ų13247.9 Ų47.962%0.61722%0.223SC*.Hα-helixtrans-64.8-30.3-178.9-65.7-176.74.600113.7L34 K40L34-Q36 VanDerWaalsContact C-N 3.34Å; L34-Q36 PolarHBondContact O-N 3.3Å; Q36-K40 VanDerWaalsContact O-CD 3.29Å; Q36-K40 WeakPolarHBondContact O-CD 3.35Å; Q36-K40 VanDerWaalsContact O-CG 3.23Å; Q36-K40 WeakPolarHBondContact O-CG 3.49Å
37W97.8Very high96.2Very high42 Ų4248.3 Ų48.316%0.15923%0.227CC..Hα-helixtrans-79.1-47.7178.3179.689.1000110.1L34 A35 E39 K40 Q41 W43 D59 L60 Q63L34-W37 PolarHBondContact O-N 3.33Å; A35-W37 VanDerWaalsContact C-N 3.28Å; A35-W37 PolarHBondContact O-N 3.05Å; W37-E39 VanDerWaalsContact C-N 3.33Å; W37-E39 PolarHBondContact O-N 2.99Å; W37-K40 PolarHBondContact O-N 3.36Å; W37-K40 VanDerWaalsContact O-N 3.13Å; W37-Q41 HydrophobicContact CD2-CG 4.22Å; W37-Q41 HydrophobicContact CE3-CG 4.26Å; W37-Q41 HydrophobicContact CH2-CG 3.97Å; W37-Q41 HydrophobicContact CZ2-CG 3.91Å; W37-Q41 HydrophobicContact CZ3-CG 4.14Å; W37-Q41 WeakPolarHBondContact O-CG 3.46Å; W37-Q41 PolarHBondContact O-NE2 2.94Å; W37-W43 HydrophobicContact CE3-CZ2 4.5Å; W37-W43 AromaticContact CH2-CH2 3.99Å; W37-W43 HydrophobicContact CH2-CH2 3.99Å; W37-W43 HydrophobicContact CH2-CZ2 4.03Å; W37-W43 AromaticContact CZ3-CH2 3.93Å; W37-W43 HydrophobicContact CZ3-CH2 3.93Å; W37-W43 AromaticContact CZ3-CZ2 3.67Å; W37-W43 HydrophobicContact CZ3-CZ2 3.67Å; W37-D59 HydrophobicContact CH2-CB 4.11Å; W37-D59 HydrophobicContact CZ2-CB 3.58Å; W37-L60 HydrophobicContact CE3-CD1 4.26Å; W37-L60 HydrophobicContact CH2-CB 3.81Å; W37-L60 HydrophobicContact CZ3-CB 3.84Å; W37-L60 HydrophobicContact CZ3-CD1 3.72Å; W37-L60 HydrophobicContact CZ3-CG 4.34Å; W37-Q63 HydrophobicContact CD2-CG 3.71Å; W37-Q63 HydrophobicContact CE3-CG 4.28Å; W37-Q63 HydrophobicContact CG-CG 3.85Å; W37-Q63 HydrophobicContact CZ2-CG 4.3Å
38L97.9Very high96.5Very high0 Ų056.1 Ų56.10%026%0.255CS..Hα-helixtrans-56.1-46.9177.7-71.1167.6000111.1F26 L34 A35 K40 Q41 W43 L60 I105F26-L38 HydrophobicContact CE1-CD1 4.45Å; F26-L38 HydrophobicContact CZ-CD1 4.07Å; F26-L38 HydrophobicContact CZ-CD2 4.25Å; L34-L38 HydrophobicContact CB-CD1 4.03Å; L34-L38 HydrophobicContact CB-CG 4.04Å; L34-L38 WeakPolarHBondContact O-CG 3.31Å; L34-L38 PolarHBondContact O-N 2.93Å; A35-L38 PolarHBondContact O-N 3.15Å; L38-K40 PolarHBondContact O-N 3.38Å; L38-K40 VanDerWaalsContact O-N 3.14Å; L38-Q41 PolarHBondContact O-N 3.4Å; L38-W43 HydrophobicContact CD2-CH2 4.46Å; L38-W43 HydrophobicContact CD2-CZ2 3.69Å; L38-W43 PolarHBondContact O-NE1 3.3Å; L38-L60 HydrophobicContact CD2-CD1 4.22Å; L38-I105 HydrophobicContact CD2-CD1 4.28Å; L38-I105 HydrophobicContact CD2-CG2 4.26Å
39E97.8Very high96.7Very high53 Ų5356.5 Ų56.525%0.24826%0.257CS..THydrogen-bonded Turntrans-66.7-14.8-178-69.5163.5-159.200113.8S2 Q3 W4 R31 A35 W37 L109S2-E39 WeakPolarHBondContact CA-OE2 3.32Å; S2-E39 WeakPolarHBondContact CB-OE2 3.4Å; Q3-E39 HydrophobicContact CB-CG 4.19Å; Q3-E39 WeakPolarHBondContact CB-OE1 3.42Å; Q3-E39 VanDerWaalsContact N-CD 3.32Å; Q3-E39 PolarHBondContact N-OE1 3.49Å; Q3-E39 PolarHBondContact N-OE2 2.99Å; W4-E39 PolarHBondContact N-OE1 3.36Å; R31-E39 IonicContact CZ-OE1 2.66Å; R31-E39 IonicContact NH1-OE1 3.39Å; R31-E39 PolarHBondContact NH1-OE1 3.39Å; R31-E39 IonicContact NH2-OE1 3.22Å; R31-E39 PolarHBondContact NH2-OE1 3.26Å; A35-E39 WeakPolarHBondContact O-CB 3.36Å; A35-E39 VanDerWaalsContact O-CD 3.3Å; A35-E39 WeakPolarHBondContact O-CG 2.99Å; A35-E39 PolarHBondContact O-N 3.38Å; W37-E39 VanDerWaalsContact C-N 3.33Å; W37-E39 PolarHBondContact O-N 2.99Å; E39-L109 HydrophobicContact CG-CD2 4.21Å
40K97.3Very high97Very high162 Ų16257 Ų5770%0.70427%0.266SS*.THydrogen-bonded Turntrans-92.5-14.6178.9-73.7174.9-174.3177.50114.2Q36 W37 L38Q36-K40 VanDerWaalsContact O-CD 3.29Å; Q36-K40 WeakPolarHBondContact O-CD 3.35Å; Q36-K40 VanDerWaalsContact O-CG 3.23Å; Q36-K40 WeakPolarHBondContact O-CG 3.49Å; W37-K40 PolarHBondContact O-N 3.36Å; W37-K40 VanDerWaalsContact O-N 3.13Å; L38-K40 PolarHBondContact O-N 3.38Å; L38-K40 VanDerWaalsContact O-N 3.14Å
41Q97.8Very high97.1Very high38 Ų3860.6 Ų60.618%0.17829%0.291CS..SBendtrans-85.8150.3-175.7-45.1-49.2-48.400111.3W37 L38 W43 R56W37-Q41 HydrophobicContact CD2-CG 4.22Å; W37-Q41 HydrophobicContact CE3-CG 4.26Å; W37-Q41 HydrophobicContact CH2-CG 3.97Å; W37-Q41 HydrophobicContact CZ2-CG 3.91Å; W37-Q41 HydrophobicContact CZ3-CG 4.14Å; W37-Q41 WeakPolarHBondContact O-CG 3.46Å; W37-Q41 PolarHBondContact O-NE2 2.94Å; L38-Q41 PolarHBondContact O-N 3.4Å; Q41-W43 VanDerWaalsContact C-N 3.32Å; Q41-W43 HydrophobicContact CB-CD2 4.24Å; Q41-W43 HydrophobicContact CB-CG 4.49Å; Q41-W43 HydrophobicContact CB-CZ2 3.84Å; Q41-W43 HydrophobicContact CG-CZ2 3.73Å; Q41-W43 PolarHBondContact O-N 3.36Å; Q41-W43 VanDerWaalsContact O-N 3.09Å; Q41-R56 VanDerWaalsContact OE1-NE 3.07Å
42D97.6Very high97.2Very high84 Ų8462.3 Ų62.345%0.44930%0.299SS..  trans-8475.9172.7-166.9-15.5000110.7E44 H45 A46 F52D42-E44 PolarHBondContact O-N 3.21Å; D42-E44 PolarHBondContact OD1-N 3.27Å; D42-H45 HydrophobicContact CB-CB 4.21Å; D42-H45 VanDerWaalsContact CG-CB 3.45Å; D42-H45 PolarHBondContact O-N 3.08Å; D42-H45 WeakPolarHBondContact OD1-CB 3.46Å; D42-H45 PolarHBondContact OD1-N 2.86Å; D42-A46 PolarHBondContact O-N 3.11Å; D42-A46 VanDerWaalsContact O-N 3.08Å; D42-F52 HydrophobicContact CB-CE1 4.29Å
43W98Very high97.3Very high6 Ų658.7 Ų58.72%0.02328%0.282CS..Hα-helixtrans-68-22.8178.4-62106.8000113W37 L38 Q41 A46 A47 R56 M101 I105W37-W43 HydrophobicContact CE3-CZ2 4.5Å; W37-W43 AromaticContact CH2-CH2 3.99Å; W37-W43 HydrophobicContact CH2-CH2 3.99Å; W37-W43 HydrophobicContact CH2-CZ2 4.03Å; W37-W43 AromaticContact CZ3-CH2 3.93Å; W37-W43 HydrophobicContact CZ3-CH2 3.93Å; W37-W43 AromaticContact CZ3-CZ2 3.67Å; W37-W43 HydrophobicContact CZ3-CZ2 3.67Å; L38-W43 HydrophobicContact CD2-CH2 4.46Å; L38-W43 HydrophobicContact CD2-CZ2 3.69Å; L38-W43 PolarHBondContact O-NE1 3.3Å; Q41-W43 VanDerWaalsContact C-N 3.32Å; Q41-W43 HydrophobicContact CB-CD2 4.24Å; Q41-W43 HydrophobicContact CB-CG 4.49Å; Q41-W43 HydrophobicContact CB-CZ2 3.84Å; Q41-W43 HydrophobicContact CG-CZ2 3.73Å; Q41-W43 PolarHBondContact O-N 3.36Å; Q41-W43 VanDerWaalsContact O-N 3.09Å; W43-A46 HydrophobicContact CE3-CB 4.39Å; W43-A47 WeakPolarHBondContact O-CB 3.32Å; W43-A47 PolarHBondContact O-N 3.32Å; W43-R56 HydrophobicContact CH2-CB 4.16Å; W43-R56 HydrophobicContact CZ3-CB 3.91Å; W43-M101 HydrophobicContact CH2-CE 4.44Å; W43-M101 HydrophobicContact CZ3-CE 4.03Å; W43-I105 HydrophobicContact CD2-CB 4.03Å; W43-I105 HydrophobicContact CD2-CD1 4.4Å; W43-I105 HydrophobicContact CD2-CG2 3.62Å; W43-I105 HydrophobicContact CE3-CB 4.26Å; W43-I105 HydrophobicContact CE3-CD1 4.11Å; W43-I105 HydrophobicContact CE3-CG2 4.3Å; W43-I105 HydrophobicContact CG-CB 4.31Å; W43-I105 HydrophobicContact CG-CG2 3.76Å; W43-I105 HydrophobicContact CH2-CD1 3.74Å; W43-I105 HydrophobicContact CZ2-CD1 4.06Å; W43-I105 HydrophobicContact CZ2-CG2 4.19Å; W43-I105 HydrophobicContact CZ3-CD1 3.75Å
44E97.8Very high97.5Very high99 Ų9958 Ų5846%0.46329%0.285SS..Hα-helixtrans-66.1-49.9174.5-173.5164-156.600110D42 A46 A47 Y48 Y106D42-E44 PolarHBondContact O-N 3.21Å; D42-E44 PolarHBondContact OD1-N 3.27Å; E44-A46 PolarHBondContact O-N 3.02Å; E44-A47 PolarHBondContact O-N 3.42Å; E44-Y48 HydrophobicContact CG-CE2 4.4Å; E44-Y48 WeakPolarHBondContact O-CD2 3.33Å; E44-Y106 HydrophobicContact CB-CD2 3.79Å; E44-Y106 HydrophobicContact CB-CE2 3.57Å; E44-Y106 HydrophobicContact CG-CD2 4.46Å; E44-Y106 HydrophobicContact CG-CE2 3.88Å; E44-Y106 PolarHBondContact OE1-OH 2.84Å
45H97.7Very high97.5Very high83 Ų8362.1 Ų62.138%0.38431%0.305SS..Hα-helixtrans-61.6-43.6174.4179.639000112D42 A47 Y48 D49 F52D42-H45 HydrophobicContact CB-CB 4.21Å; D42-H45 VanDerWaalsContact CG-CB 3.45Å; D42-H45 PolarHBondContact O-N 3.08Å; D42-H45 WeakPolarHBondContact OD1-CB 3.46Å; D42-H45 PolarHBondContact OD1-N 2.86Å; H45-A47 PolarHBondContact O-N 3.04Å; H45-Y48 PolarHBondContact O-N 3.36Å; H45-D49 IonicContact CE1-OD2 3.62Å; H45-D49 IonicContact NE2-OD2 3.95Å; H45-D49 PolarHBondContact O-N 2.87Å; H45-D49 VanDerWaalsContact O-N 3.13Å; H45-F52 HydrophobicContact CB-CD1 4.34Å; H45-F52 HydrophobicContact CB-CE1 4.29Å; H45-F52 AromaticContact CD2-CD1 3.35Å; H45-F52 WeakPolarHBondContact CD2-CD1 3.41Å; H45-F52 AromaticContact CD2-CE1 3.54Å; H45-F52 AromaticContact CD2-CG 3.72Å; H45-F52 AromaticContact NE2-CG 3.91Å
46A97.4Very high97.5Very high0 Ų064.1 Ų64.10%031%0.312CS..Hα-helixtrans-61.7-29.817800000113D42 W43 E44 Y48 F52 A53D42-A46 PolarHBondContact O-N 3.11Å; D42-A46 VanDerWaalsContact O-N 3.08Å; W43-A46 HydrophobicContact CE3-CB 4.39Å; E44-A46 PolarHBondContact O-N 3.02Å; A46-Y48 PolarHBondContact O-N 3.16Å; A46-F52 HydrophobicContact CB-CD1 3.72Å; A46-F52 HydrophobicContact CB-CE1 4.21Å; A46-A53 HydrophobicContact CB-CB 4.47Å; A46-A53 WeakPolarHBondContact O-CB 3.41Å
47A97.1Very high97.7Very high12 Ų1257.9 Ų57.910%0.09928%0.283CS..THydrogen-bonded Turntrans-68.9-11.1176.300000114W43 E44 H45 V99 M103W43-A47 WeakPolarHBondContact O-CB 3.32Å; W43-A47 PolarHBondContact O-N 3.32Å; E44-A47 PolarHBondContact O-N 3.42Å; H45-A47 PolarHBondContact O-N 3.04Å; A47-V99 WeakPolarHBondContact O-CG1 3.38Å; A47-M103 HydrophobicContact CB-CB 4.26Å
48Y96Very high97.7Very high190 Ų19060.7 Ų60.775%0.74530%0.297SS*.THydrogen-bonded Turntrans-120.3-10.1178.8-59.7-76.2000114.3E44 H45 A46E44-Y48 HydrophobicContact CG-CE2 4.4Å; E44-Y48 WeakPolarHBondContact O-CD2 3.33Å; H45-Y48 PolarHBondContact O-N 3.36Å; A46-Y48 PolarHBondContact O-N 3.16Å
49D97.4Very high97.7Very high52 Ų5263.5 Ų63.528%0.27831%0.313SS..  trans-121.5107.4-178.9-172.7-36.5000110.7H45 S51 F52 A53H45-D49 IonicContact CE1-OD2 3.62Å; H45-D49 IonicContact NE2-OD2 3.95Å; H45-D49 PolarHBondContact O-N 2.87Å; H45-D49 VanDerWaalsContact O-N 3.13Å; D49-S51 VanDerWaalsContact C-N 3.28Å; D49-S51 PolarHBondContact O-N 3.24Å; D49-S51 WeakPolarHBondContact OD1-CA 3.47Å; D49-S51 WeakPolarHBondContact OD1-CB 3.33Å; D49-S51 PolarHBondContact OD1-N 3.46Å; D49-S51 PolarHBondContact OD1-OG 3.32Å; D49-F52 HydrophobicContact CB-CB 3.88Å; D49-F52 PolarHBondContact O-N 3.21Å; D49-F52 PolarHBondContact OD1-N 2.94Å; D49-A53 WeakPolarHBondContact O-CB 3.49Å; D49-A53 PolarHBondContact O-N 3.47Å
50V97Very high97.7Very high95 Ų9561 Ų6158%0.57630%0.301SS*.Hα-helixtrans-57.6-40.2-179.1-1800000112.1T54 V99V50-T54 WeakPolarHBondContact O-CB 3.49Å; V50-T54 PolarHBondContact O-N 3.46Å; V50-T54 PolarHBondContact O-OG1 2.97Å; V50-V99 HydrophobicContact CB-CG2 4.19Å; V50-V99 HydrophobicContact CG2-CG2 3.79Å
51S97.3Very high97.7Very high75 Ų7553.9 Ų53.952%0.52427%0.27SS..Hα-helixtrans-68.6-43-177.772.10000110.9D49 T54 I55D49-S51 VanDerWaalsContact C-N 3.28Å; D49-S51 PolarHBondContact O-N 3.24Å; D49-S51 WeakPolarHBondContact OD1-CA 3.47Å; D49-S51 WeakPolarHBondContact OD1-CB 3.33Å; D49-S51 PolarHBondContact OD1-N 3.46Å; D49-S51 PolarHBondContact OD1-OG 3.32Å; S51-T54 PolarHBondContact O-N 3.01Å; S51-I55 WeakPolarHBondContact O-CG1 3.39Å; S51-I55 PolarHBondContact O-N 3.47Å; S51-I55 VanDerWaalsContact O-N 3.09Å
52F97.9Very high97.7Very high39 Ų3954.8 Ų54.817%0.17128%0.281CS..Hα-helixtrans-68.6-40.6177.2-166.1-115.1000111.8D42 H45 A46 D49 T54 I55 R56D42-F52 HydrophobicContact CB-CE1 4.29Å; H45-F52 HydrophobicContact CB-CD1 4.34Å; H45-F52 HydrophobicContact CB-CE1 4.29Å; H45-F52 AromaticContact CD2-CD1 3.35Å; H45-F52 WeakPolarHBondContact CD2-CD1 3.41Å; H45-F52 AromaticContact CD2-CE1 3.54Å; H45-F52 AromaticContact CD2-CG 3.72Å; H45-F52 AromaticContact NE2-CG 3.91Å; A46-F52 HydrophobicContact CB-CD1 3.72Å; A46-F52 HydrophobicContact CB-CE1 4.21Å; D49-F52 HydrophobicContact CB-CB 3.88Å; D49-F52 PolarHBondContact O-N 3.21Å; D49-F52 PolarHBondContact OD1-N 2.94Å; F52-T54 VanDerWaalsContact C-N 3.32Å; F52-T54 PolarHBondContact O-N 3.04Å; F52-I55 PolarHBondContact O-N 3.02Å; F52-R56 HydrophobicContact CD1-CG 4.41Å; F52-R56 HydrophobicContact CE1-CG 4.21Å; F52-R56 HydrophobicContact CZ-CG 4.45Å; F52-R56 WeakPolarHBondContact O-CG 3.41Å; F52-R56 PolarHBondContact O-N 3.24Å
53A98.1Very high97.8Very high0 Ų052.9 Ų52.90%027%0.27CS..Hα-helixtrans-58.3-44.2173.300000112A46 D49 I55 R56 F57 P98 V99A46-A53 HydrophobicContact CB-CB 4.47Å; A46-A53 WeakPolarHBondContact O-CB 3.41Å; D49-A53 WeakPolarHBondContact O-CB 3.49Å; D49-A53 PolarHBondContact O-N 3.47Å; A53-I55 PolarHBondContact O-N 3.25Å; A53-R56 PolarHBondContact O-N 2.85Å; A53-F57 WeakPolarHBondContact O-CB 3.35Å; A53-F57 PolarHBondContact O-N 2.8Å; A53-P98 HydrophobicContact CB-CB 3.97Å; A53-V99 HydrophobicContact CB-CG2 3.83Å
54T98.1Very high97.7Very high48 Ų4852.6 Ų52.629%0.29427%0.268SS..Hα-helixtrans-63.1-43.3178.8-570000111.2V50 S51 F52 F57 H58V50-T54 WeakPolarHBondContact O-CB 3.49Å; V50-T54 PolarHBondContact O-N 3.46Å; V50-T54 PolarHBondContact O-OG1 2.97Å; S51-T54 PolarHBondContact O-N 3.01Å; F52-T54 VanDerWaalsContact C-N 3.32Å; F52-T54 PolarHBondContact O-N 3.04Å; T54-F57 PolarHBondContact O-N 3.12Å; T54-H58 PolarHBondContact O-CD2 3.4Å; T54-H58 PolarHBondContact O-N 3.13Å; T54-H58 VanDerWaalsContact O-N 3.1Å
55I98.3Very high97.7Very high90 Ų9051.2 Ų51.246%0.46226%0.264SS..Hα-helixtrans-60.3-49.5174.5-67.5166.1000110.1S51 F52 A53 F57 H58 D59S51-I55 WeakPolarHBondContact O-CG1 3.39Å; S51-I55 PolarHBondContact O-N 3.47Å; S51-I55 VanDerWaalsContact O-N 3.09Å; F52-I55 PolarHBondContact O-N 3.02Å; A53-I55 PolarHBondContact O-N 3.25Å; I55-F57 VanDerWaalsContact C-N 3.3Å; I55-F57 PolarHBondContact O-N 3.14Å; I55-H58 PolarHBondContact O-N 3.48Å; I55-D59 VanDerWaalsContact O-CG 3.25Å; I55-D59 PolarHBondContact O-N 3.26Å
56R98.3Very high97.7Very high46 Ų4650.6 Ų50.617%0.17426%0.264CS..Hα-helixtrans-64.3-33.5-179.3-73.6-68.6173.7-85.6-4.9113.3Q41 W43 F52 A53 D59 L60Q41-R56 VanDerWaalsContact OE1-NE 3.07Å; W43-R56 HydrophobicContact CH2-CB 4.16Å; W43-R56 HydrophobicContact CZ3-CB 3.91Å; F52-R56 HydrophobicContact CD1-CG 4.41Å; F52-R56 HydrophobicContact CE1-CG 4.21Å; F52-R56 HydrophobicContact CZ-CG 4.45Å; F52-R56 WeakPolarHBondContact O-CG 3.41Å; F52-R56 PolarHBondContact O-N 3.24Å; A53-R56 PolarHBondContact O-N 2.85Å; R56-D59 IonicContact CZ-OD2 3.91Å; R56-D59 IonicContact NH1-OD2 2.87Å; R56-D59 PolarHBondContact NH1-OD2 3.34Å; R56-D59 PolarHBondContact O-N 3.2Å; R56-L60 WeakPolarHBondContact O-CB 3.07Å; R56-L60 PolarHBondContact O-N 3.25Å
57F98.1Very high97.7Very high1 Ų151.6 Ų51.60%0.00427%0.268CS..Hα-helixtrans-62.9-49173173.8-106.3000111.5A53 T54 I55 D59 L60 L61 Q91 F94 Q95 P98 M101A53-F57 WeakPolarHBondContact O-CB 3.35Å; A53-F57 PolarHBondContact O-N 2.8Å; T54-F57 PolarHBondContact O-N 3.12Å; I55-F57 VanDerWaalsContact C-N 3.3Å; I55-F57 PolarHBondContact O-N 3.14Å; F57-D59 PolarHBondContact O-N 3.08Å; F57-L60 WeakPolarHBondContact O-CB 3.44Å; F57-L60 PolarHBondContact O-N 3.16Å; F57-L61 HydrophobicContact CD1-CD1 4.22Å; F57-L61 HydrophobicContact CE1-CD1 3.64Å; F57-L61 HydrophobicContact CE1-CG 4.39Å; F57-L61 HydrophobicContact CE2-CD1 4.47Å; F57-L61 HydrophobicContact CE2-CD2 4.44Å; F57-L61 HydrophobicContact CE2-CG 4.47Å; F57-L61 HydrophobicContact CZ-CD1 3.79Å; F57-L61 HydrophobicContact CZ-CD2 4.35Å; F57-L61 HydrophobicContact CZ-CG 4.26Å; F57-L61 WeakPolarHBondContact O-CG 3.44Å; F57-L61 PolarHBondContact O-N 3.48Å; F57-Q91 HydrophobicContact CZ-CG 4.38Å; F57-F94 HydrophobicContact CD2-CB 4.41Å; F57-F94 HydrophobicContact CE2-CB 4Å; F57-Q95 HydrophobicContact CE1-CB 4.11Å; F57-Q95 HydrophobicContact CE1-CG 4.22Å; F57-Q95 HydrophobicContact CZ-CB 4.08Å; F57-P98 HydrophobicContact CB-CB 3.98Å; F57-P98 HydrophobicContact CB-CG 4.47Å; F57-P98 HydrophobicContact CG-CB 4.41Å; F57-M101 HydrophobicContact CB-CE 3.91Å; F57-M101 HydrophobicContact CD2-CE 3.82Å; F57-M101 HydrophobicContact CD2-SD 3.62Å; F57-M101 HydrophobicContact CE2-SD 4.25Å; F57-M101 HydrophobicContact CG-CE 4.38Å
58H98.3Very high97.7Very high101 Ų10154.7 Ų54.747%0.46828%0.278SS..Hα-helixtrans-66.5-37.1176.6-72.7-61.6000112.9T54 I55 L60 L61 S62T54-H58 PolarHBondContact O-CD2 3.4Å; T54-H58 PolarHBondContact O-N 3.13Å; T54-H58 VanDerWaalsContact O-N 3.1Å; I55-H58 PolarHBondContact O-N 3.48Å; H58-L60 VanDerWaalsContact C-N 3.31Å; H58-L60 PolarHBondContact O-N 3.4Å; H58-L61 PolarHBondContact O-N 3.02Å; H58-S62 PolarHBondContact O-N 3.27Å
59D98.4Very high97.8Very high60 Ų6048.8 Ų48.832%0.32127%0.265SS..Hα-helixtrans-59.6-43.7172.8-67.1-28.3000110.9W37 I55 R56 F57 L61 S62 Q63W37-D59 HydrophobicContact CH2-CB 4.11Å; W37-D59 HydrophobicContact CZ2-CB 3.58Å; I55-D59 VanDerWaalsContact O-CG 3.25Å; I55-D59 PolarHBondContact O-N 3.26Å; R56-D59 IonicContact CZ-OD2 3.91Å; R56-D59 IonicContact NH1-OD2 2.87Å; R56-D59 PolarHBondContact NH1-OD2 3.34Å; R56-D59 PolarHBondContact O-N 3.2Å; F57-D59 PolarHBondContact O-N 3.08Å; D59-L61 PolarHBondContact O-N 3.34Å; D59-S62 WeakPolarHBondContact O-CB 3.35Å; D59-S62 PolarHBondContact O-N 3.33Å; D59-Q63 WeakPolarHBondContact O-CG 3.39Å; D59-Q63 PolarHBondContact O-N 2.66Å
60L98Very high97.7Very high0 Ų052.6 Ų52.60%028%0.275CS..Hα-helixtrans-60.5-44.1176.4174.862.5000111.5I30 L34 W37 L38 R56 F57 H58 S62 Q63 L64 L90 M101 I105I30-L60 HydrophobicContact CG2-CD1 4.08Å; L34-L60 HydrophobicContact CD1-CD1 3.42Å; L34-L60 VanDerWaalsContact CD1-CD1 3.42Å; W37-L60 HydrophobicContact CE3-CD1 4.26Å; W37-L60 HydrophobicContact CH2-CB 3.81Å; W37-L60 HydrophobicContact CZ3-CB 3.84Å; W37-L60 HydrophobicContact CZ3-CD1 3.72Å; W37-L60 HydrophobicContact CZ3-CG 4.34Å; L38-L60 HydrophobicContact CD2-CD1 4.22Å; R56-L60 WeakPolarHBondContact O-CB 3.07Å; R56-L60 PolarHBondContact O-N 3.25Å; F57-L60 WeakPolarHBondContact O-CB 3.44Å; F57-L60 PolarHBondContact O-N 3.16Å; H58-L60 VanDerWaalsContact C-N 3.31Å; H58-L60 PolarHBondContact O-N 3.4Å; L60-S62 VanDerWaalsContact C-N 3.29Å; L60-S62 PolarHBondContact O-N 2.92Å; L60-Q63 WeakPolarHBondContact O-CB 3.39Å; L60-Q63 PolarHBondContact O-N 2.93Å; L60-L64 WeakPolarHBondContact O-CG 3.27Å; L60-L64 PolarHBondContact O-N 3.47Å; L60-L90 HydrophobicContact CD2-CD1 3.7Å; L60-L90 HydrophobicContact CG-CD1 4.2Å; L60-M101 HydrophobicContact CD2-CE 4.09Å; L60-M101 HydrophobicContact CD2-SD 3.59Å; L60-M101 VanDerWaalsContact CD2-SD 3.59Å; L60-I105 HydrophobicContact CD2-CD1 4.36Å
61L97.8Very high97.7Very high12 Ų1248.7 Ų48.76%0.06325%0.25CS..Hα-helixtrans-61.7-38.5175.8-64.2179.2000111.9F57 H58 D59 L64 D65 K87 Q91F57-L61 HydrophobicContact CD1-CD1 4.22Å; F57-L61 HydrophobicContact CE1-CD1 3.64Å; F57-L61 HydrophobicContact CE1-CG 4.39Å; F57-L61 HydrophobicContact CE2-CD1 4.47Å; F57-L61 HydrophobicContact CE2-CD2 4.44Å; F57-L61 HydrophobicContact CE2-CG 4.47Å; F57-L61 HydrophobicContact CZ-CD1 3.79Å; F57-L61 HydrophobicContact CZ-CD2 4.35Å; F57-L61 HydrophobicContact CZ-CG 4.26Å; F57-L61 WeakPolarHBondContact O-CG 3.44Å; F57-L61 PolarHBondContact O-N 3.48Å; H58-L61 PolarHBondContact O-N 3.02Å; D59-L61 PolarHBondContact O-N 3.34Å; L61-L64 PolarHBondContact O-N 3.09Å; L61-D65 PolarHBondContact O-N 3.21Å; L61-K87 HydrophobicContact CD2-CG 3.86Å; L61-Q91 HydrophobicContact CD1-CG 3.93Å; L61-Q91 HydrophobicContact CD2-CG 3.78Å
62S98.3Very high97.6Very high58 Ų5847.8 Ų47.841%0.40624%0.244SC..Hα-helixtrans-66.2-40.3174.7-171.10000111.7H58 D59 L60 L64 D65 D66H58-S62 PolarHBondContact O-N 3.27Å; D59-S62 WeakPolarHBondContact O-CB 3.35Å; D59-S62 PolarHBondContact O-N 3.33Å; L60-S62 VanDerWaalsContact C-N 3.29Å; L60-S62 PolarHBondContact O-N 2.92Å; S62-L64 PolarHBondContact O-N 2.89Å; S62-D65 WeakPolarHBondContact O-CB 3.44Å; S62-D65 PolarHBondContact O-N 3.42Å; S62-D65 VanDerWaalsContact O-N 3.13Å; S62-D66 PolarHBondContact O-N 2.93Å
63Q98.3Very high97.5Very high44 Ų4453 Ų5321%0.20627%0.272CS..Hα-helixtrans-61.5-34.7174.7-69.9-58.5-60.400112L34 W37 D59 L60 D66 Q67L34-Q63 HydrophobicContact CD1-CB 3.72Å; L34-Q63 HydrophobicContact CD2-CB 3.87Å; L34-Q63 HydrophobicContact CG-CB 4.46Å; W37-Q63 HydrophobicContact CD2-CG 3.71Å; W37-Q63 HydrophobicContact CE3-CG 4.28Å; W37-Q63 HydrophobicContact CG-CG 3.85Å; W37-Q63 HydrophobicContact CZ2-CG 4.3Å; D59-Q63 WeakPolarHBondContact O-CG 3.39Å; D59-Q63 PolarHBondContact O-N 2.66Å; L60-Q63 WeakPolarHBondContact O-CB 3.39Å; L60-Q63 PolarHBondContact O-N 2.93Å; Q63-D66 PolarHBondContact O-N 3.44Å; Q63-Q67 WeakPolarHBondContact O-CG 3.19Å; Q63-Q67 PolarHBondContact O-N 3.31Å
64L97.3Very high97.4Very high0 Ų059 Ų590%030%0.301CS..Hα-helixtrans-68.1-35.2174.5-67.9172.4000112.6I30 L34 L60 L61 S62 D66 Q67 Y68 I83 K87 L90I30-L64 HydrophobicContact CD1-CD1 4Å; I30-L64 HydrophobicContact CD1-CD2 4.21Å; I30-L64 HydrophobicContact CG1-CD2 4.04Å; I30-L64 HydrophobicContact CG2-CD2 4.42Å; L34-L64 HydrophobicContact CD1-CD2 3.78Å; L34-L64 HydrophobicContact CD1-CG 4.08Å; L34-L64 HydrophobicContact CG-CD2 4.48Å; L60-L64 WeakPolarHBondContact O-CG 3.27Å; L60-L64 PolarHBondContact O-N 3.47Å; L61-L64 PolarHBondContact O-N 3.09Å; S62-L64 PolarHBondContact O-N 2.89Å; L64-D66 VanDerWaalsContact C-N 3.35Å; L64-Q67 PolarHBondContact O-N 3.4Å; L64-Y68 WeakPolarHBondContact O-CB 3.35Å; L64-Y68 PolarHBondContact O-N 2.95Å; L64-I83 HydrophobicContact CB-CG2 4.29Å; L64-I83 HydrophobicContact CD2-CD1 4.02Å; L64-I83 HydrophobicContact CD2-CG2 4.4Å; L64-I83 WeakPolarHBondContact O-CG2 3.48Å; L64-K87 HydrophobicContact CB-CD 4.39Å; L64-K87 HydrophobicContact CD1-CB 3.91Å; L64-K87 HydrophobicContact CD1-CG 4.17Å; L64-L90 HydrophobicContact CD1-CD1 3.9Å
65D97.7Very high97.3Very high69 Ų6963.3 Ų63.337%0.36932%0.322SS..Hα-helixtrans-65.9-39.1174-68.5-37.7000111.8L61 S62 Y68 S69 K87L61-D65 PolarHBondContact O-N 3.21Å; S62-D65 WeakPolarHBondContact O-CB 3.44Å; S62-D65 PolarHBondContact O-N 3.42Å; S62-D65 VanDerWaalsContact O-N 3.13Å; D65-Y68 PolarHBondContact O-N 3.49Å; D65-S69 PolarHBondContact O-N 3.45Å; D65-S69 PolarHBondContact O-OG 3.19Å; D65-K87 IonicContact OD1-NZ 2.85Å; D65-K87 PolarHBondContact OD1-NZ 3.35Å; D65-K87 IonicContact OD2-NZ 2.73Å; D65-K87 PolarHBondContact OD2-NZ 3.49Å
66D97.8Very high97.1Very high71 Ų7161.6 Ų61.638%0.3831%0.314SS..Hα-helixtrans-63.6-44.5174.2-70.9-19.5000111.2S62 Q63 L64 S69 R70S62-D66 PolarHBondContact O-N 2.93Å; Q63-D66 PolarHBondContact O-N 3.44Å; L64-D66 VanDerWaalsContact C-N 3.35Å; D66-S69 PolarHBondContact O-N 2.9Å; D66-R70 WeakPolarHBondContact O-CG 3.32Å; D66-R70 PolarHBondContact O-N 3.4Å; D66-R70 VanDerWaalsContact O-N 3.11Å
67Q96.6Very high97Very high21 Ų2167.3 Ų67.310%0.09834%0.34CS..Hα-helixtrans-65.6-40.4176-68.5-57.6-30.100112.4L34 Q63 L64 S69 R70 F71L34-Q67 HydrophobicContact CD2-CG 3.4Å; L34-Q67 HydrophobicContact CG-CG 4.43Å; Q63-Q67 WeakPolarHBondContact O-CG 3.19Å; Q63-Q67 PolarHBondContact O-N 3.31Å; L64-Q67 PolarHBondContact O-N 3.4Å; Q67-S69 VanDerWaalsContact C-N 3.27Å; Q67-S69 PolarHBondContact O-N 3.27Å; Q67-R70 WeakPolarHBondContact O-CB 3.5Å; Q67-R70 PolarHBondContact O-N 2.87Å; Q67-F71 HydrophobicContact CB-CE2 4.43Å; Q67-F71 WeakPolarHBondContact O-CD2 3.49Å; Q67-F71 PolarHBondContact O-N 3.22Å
68Y97Very high97Very high77 Ų7772.4 Ų72.430%0.30237%0.367SS..Hα-helixtrans-56.8-45.1174.1-179.9-87.9000111L64 D65 R70 F71 S72 Q80 I83 R84L64-Y68 WeakPolarHBondContact O-CB 3.35Å; L64-Y68 PolarHBondContact O-N 2.95Å; D65-Y68 PolarHBondContact O-N 3.49Å; Y68-R70 VanDerWaalsContact C-N 3.32Å; Y68-R70 PolarHBondContact O-N 3.04Å; Y68-F71 PolarHBondContact O-N 3.25Å; Y68-S72 PolarHBondContact O-N 3.16Å; Y68-Q80 HydrophobicContact CD2-CB 4.2Å; Y68-Q80 HydrophobicContact CD2-CG 4.38Å; Y68-Q80 HydrophobicContact CE2-CB 3.74Å; Y68-Q80 HydrophobicContact CE2-CG 4.09Å; Y68-I83 HydrophobicContact CD2-CG2 4.44Å; Y68-R84 HydrophobicContact CE2-CB 4.42Å
69S97.1Very high96.8Very high66 Ų6669 Ų6946%0.46235%0.352SS..Hα-helixtrans-61.5-39.9178-59.10000111.9D65 D66 Q67 S72 L73D65-S69 PolarHBondContact O-N 3.45Å; D65-S69 PolarHBondContact O-OG 3.19Å; D66-S69 PolarHBondContact O-N 2.9Å; Q67-S69 VanDerWaalsContact C-N 3.27Å; Q67-S69 PolarHBondContact O-N 3.27Å; S69-S72 WeakPolarHBondContact O-CB 3.42Å; S69-S72 PolarHBondContact O-N 2.73Å; S69-L73 WeakPolarHBondContact O-CG 3.5Å; S69-L73 PolarHBondContact O-N 2.48Å; S69-L73 VanDerWaalsContact O-N 3.11Å
70R96.5Very high96.7Very high132 Ų13267.5 Ų67.550%0.49834%0.343SS..Hα-helixtrans-62.3-47.9174.3-66.3171.2-169.8-163.13.3111.9D66 Q67 Y68 S72 L73 E74D66-R70 WeakPolarHBondContact O-CG 3.32Å; D66-R70 PolarHBondContact O-N 3.4Å; D66-R70 VanDerWaalsContact O-N 3.11Å; Q67-R70 WeakPolarHBondContact O-CB 3.5Å; Q67-R70 PolarHBondContact O-N 2.87Å; Y68-R70 VanDerWaalsContact C-N 3.32Å; Y68-R70 PolarHBondContact O-N 3.04Å; R70-S72 PolarHBondContact O-N 3.42Å; R70-L73 WeakPolarHBondContact O-CB 3.49Å; R70-L73 PolarHBondContact O-N 3.23Å; R70-L73 VanDerWaalsContact O-N 3.1Å; R70-E74 PolarHBondContact O-N 3.29Å; R70-E74 VanDerWaalsContact O-N 3.16Å
71F96.5Very high96.6Very high13 Ų1372.4 Ų72.46%0.05737%0.366CS..Hα-helixtrans-65.6-25.9176.4-63-37.3000113.3Y33 Q67 Y68 N75 N76 L79 Q80 I83Y33-F71 AromaticContact CD1-CZ 3.7Å; Y33-F71 HydrophobicContact CD1-CZ 3.7Å; Y33-F71 HydrophobicContact CD2-CE2 4.27Å; Y33-F71 HydrophobicContact CD2-CZ 4.22Å; Y33-F71 HydrophobicContact CE1-CE1 4.41Å; Y33-F71 AromaticContact CE1-CZ 3.66Å; Y33-F71 HydrophobicContact CE1-CZ 3.66Å; Y33-F71 HydrophobicContact CE2-CE2 4.29Å; Y33-F71 HydrophobicContact CE2-CZ 4.18Å; Y33-F71 HydrophobicContact CG-CE2 4.39Å; Y33-F71 HydrophobicContact CG-CZ 4Å; Y33-F71 AromaticContact CZ-CZ 3.92Å; Q67-F71 HydrophobicContact CB-CE2 4.43Å; Q67-F71 WeakPolarHBondContact O-CD2 3.49Å; Q67-F71 PolarHBondContact O-N 3.22Å; Y68-F71 PolarHBondContact O-N 3.25Å; F71-N75 PolarHBondContact O-N 3.4Å; F71-N76 HydrophobicContact CB-CB 4.44Å; F71-N76 PolarHBondContact O-N 3.05Å; F71-L79 HydrophobicContact CB-CB 4.3Å; F71-L79 HydrophobicContact CD1-CB 4.04Å; F71-L79 HydrophobicContact CD1-CD1 3.87Å; F71-L79 HydrophobicContact CD2-CB 3.67Å; F71-L79 HydrophobicContact CE1-CB 4.28Å; F71-L79 HydrophobicContact CE1-CD1 3.55Å; F71-L79 HydrophobicContact CE2-CB 3.91Å; F71-L79 HydrophobicContact CE2-CD1 4.38Å; F71-L79 HydrophobicContact CG-CB 3.75Å; F71-L79 HydrophobicContact CG-CD1 4.44Å; F71-L79 HydrophobicContact CZ-CB 4.22Å; F71-L79 HydrophobicContact CZ-CD1 3.84Å; F71-Q80 HydrophobicContact CB-CG 3.76Å; F71-Q80 PolarHBondContact O-NE2 2.96Å; F71-I83 HydrophobicContact CD2-CG1 3.76Å; F71-I83 HydrophobicContact CE2-CD1 4.1Å; F71-I83 HydrophobicContact CE2-CG1 3.52Å
72S95.3Very high96.4Very high55 Ų5573.9 Ų73.939%0.38537%0.374SS..Hα-helixtrans-66.8-42.1170.9-167.80000112.1Y68 S69 R70 E74 N75Y68-S72 PolarHBondContact O-N 3.16Å; S69-S72 WeakPolarHBondContact O-CB 3.42Å; S69-S72 PolarHBondContact O-N 2.73Å; R70-S72 PolarHBondContact O-N 3.42Å; S72-E74 VanDerWaalsContact C-N 3.27Å; S72-E74 PolarHBondContact O-N 2.85Å; S72-N75 PolarHBondContact O-N 3.02Å; S72-N75 VanDerWaalsContact O-N 3.14Å
73L96.7Very high96.3Very high148 Ų14871.2 Ų71.278%0.77536%0.355SS*.Hα-helixtrans-64.7-34.6176.6-65.9171.6000111.9S69 R70 N75S69-L73 WeakPolarHBondContact O-CG 3.5Å; S69-L73 PolarHBondContact O-N 2.48Å; S69-L73 VanDerWaalsContact O-N 3.11Å; R70-L73 WeakPolarHBondContact O-CB 3.49Å; R70-L73 PolarHBondContact O-N 3.23Å; R70-L73 VanDerWaalsContact O-N 3.1Å; L73-N75 PolarHBondContact O-N 3.28Å
74E95.8Very high96.1Very high127 Ų12776.6 Ų76.659%0.59337%0.373SS*.THydrogen-bonded Turntrans-79.3-2.1176.8-66173-172.800113.4R70 S72 N76R70-E74 PolarHBondContact O-N 3.29Å; R70-E74 VanDerWaalsContact O-N 3.16Å; S72-E74 VanDerWaalsContact C-N 3.27Å; S72-E74 PolarHBondContact O-N 2.85Å; E74-N76 HydrophobicContact CB-CB 4.41Å; E74-N76 PolarHBondContact O-N 3.2Å
75N95Very high96Very high139 Ų13982.1 Ų82.174%0.74340%0.397SS*.THydrogen-bonded Turntrans53.129.9-172.1-62.1-75.9000113.6F71 S72 L73 F77F71-N75 PolarHBondContact O-N 3.4Å; S72-N75 PolarHBondContact O-N 3.02Å; S72-N75 VanDerWaalsContact O-N 3.14Å; L73-N75 PolarHBondContact O-N 3.28Å; N75-F77 PolarHBondContact O-N 3.36Å; N75-F77 VanDerWaalsContact O-N 3.07Å
76N95.6Very high95.8Very high54 Ų5479.3 Ų79.329%0.28938%0.383SS..  trans-84.984.8-178.5-164.4-36.1000111.2F71 E74 L78 L79 Q80F71-N76 HydrophobicContact CB-CB 4.44Å; F71-N76 PolarHBondContact O-N 3.05Å; E74-N76 HydrophobicContact CB-CB 4.41Å; E74-N76 PolarHBondContact O-N 3.2Å; N76-L78 VanDerWaalsContact C-N 3.31Å; N76-L78 PolarHBondContact O-N 3.4Å; N76-L79 HydrophobicContact CB-CB 4.3Å; N76-L79 VanDerWaalsContact ND2-CD1 3.3Å; N76-L79 WeakPolarHBondContact ND2-CD1 3.36Å; N76-L79 WeakPolarHBondContact ND2-CG 3.49Å; N76-L79 PolarHBondContact O-N 3.23Å; N76-L79 WeakPolarHBondContact OD1-CG 3.47Å; N76-L79 PolarHBondContact OD1-N 2.85Å; N76-L79 VanDerWaalsContact OD1-N 3.11Å; N76-Q80 WeakPolarHBondContact O-CG 3.38Å; N76-Q80 PolarHBondContact O-N 3.21Å; N76-Q80 PolarHBondContact O-NE2 3.5Å
77F95.8Very high95.7Very high166 Ų16677.9 Ų77.973%0.72837%0.373SS*.Hα-helixtrans-56.5-41.9-176.8179.4-102.4000113.3N75 H81N75-F77 PolarHBondContact O-N 3.36Å; N75-F77 VanDerWaalsContact O-N 3.07Å; F77-H81 WeakPolarHBondContact O-CB 3.48Å; F77-H81 PolarHBondContact O-N 3.27Å
78L96.7Very high95.6Very high108 Ų10883.4 Ų83.457%0.56539%0.393SS*.Hα-helixtrans-64.5-47.5-178.6178.861.7000111.2N76 H81 N82N76-L78 VanDerWaalsContact C-N 3.31Å; N76-L78 PolarHBondContact O-N 3.4Å; L78-H81 PolarHBondContact O-N 3.01Å; L78-N82 PolarHBondContact O-N 3.17Å; L78-N82 PolarHBondContact O-OD1 3.22Å
79L95.4Very high95.5Very high28 Ų2883 Ų8315%0.14740%0.396CS..Hα-helixtrans-70-35.1-178.7-63.1-170.6000112.5Y33 F71 N76 N82 I83Y33-L79 HydrophobicContact CE1-CD1 4.48Å; Y33-L79 WeakPolarHBondContact OH-CD2 3.32Å; F71-L79 HydrophobicContact CB-CB 4.3Å; F71-L79 HydrophobicContact CD1-CB 4.04Å; F71-L79 HydrophobicContact CD1-CD1 3.87Å; F71-L79 HydrophobicContact CD2-CB 3.67Å; F71-L79 HydrophobicContact CE1-CB 4.28Å; F71-L79 HydrophobicContact CE1-CD1 3.55Å; F71-L79 HydrophobicContact CE2-CB 3.91Å; F71-L79 HydrophobicContact CE2-CD1 4.38Å; F71-L79 HydrophobicContact CG-CB 3.75Å; F71-L79 HydrophobicContact CG-CD1 4.44Å; F71-L79 HydrophobicContact CZ-CB 4.22Å; F71-L79 HydrophobicContact CZ-CD1 3.84Å; N76-L79 HydrophobicContact CB-CB 4.3Å; N76-L79 VanDerWaalsContact ND2-CD1 3.3Å; N76-L79 WeakPolarHBondContact ND2-CD1 3.36Å; N76-L79 WeakPolarHBondContact ND2-CG 3.49Å; N76-L79 PolarHBondContact O-N 3.23Å; N76-L79 WeakPolarHBondContact OD1-CG 3.47Å; N76-L79 PolarHBondContact OD1-N 2.85Å; N76-L79 VanDerWaalsContact OD1-N 3.11Å; L79-N82 PolarHBondContact O-N 3.45Å; L79-I83 WeakPolarHBondContact O-CG1 3.5Å; L79-I83 PolarHBondContact O-N 3.22Å
80Q96.3Very high95.3Very high29 Ų2980 Ų8014%0.13638%0.375CS..Hα-helixtrans-59.3-47.7171-74.4173.255.400111.8Y68 F71 N76 N82 R84Y68-Q80 HydrophobicContact CD2-CB 4.2Å; Y68-Q80 HydrophobicContact CD2-CG 4.38Å; Y68-Q80 HydrophobicContact CE2-CB 3.74Å; Y68-Q80 HydrophobicContact CE2-CG 4.09Å; F71-Q80 HydrophobicContact CB-CG 3.76Å; F71-Q80 PolarHBondContact O-NE2 2.96Å; N76-Q80 WeakPolarHBondContact O-CG 3.38Å; N76-Q80 PolarHBondContact O-N 3.21Å; N76-Q80 PolarHBondContact O-NE2 3.5Å; Q80-N82 VanDerWaalsContact C-N 3.34Å; Q80-N82 PolarHBondContact O-N 2.91Å; Q80-R84 VanDerWaalsContact O-CB 3.32Å; Q80-R84 WeakPolarHBondContact O-CB 3.42Å; Q80-R84 PolarHBondContact O-N 3.26Å
81H95.7Very high95.3Very high103 Ų10376.7 Ų76.748%0.47737%0.365SS..Hα-helixtrans-60-46177173.7-86.5000111.4F77 L78 R84 K85F77-H81 WeakPolarHBondContact O-CB 3.48Å; F77-H81 PolarHBondContact O-N 3.27Å; L78-H81 PolarHBondContact O-N 3.01Å; H81-R84 PolarHBondContact O-N 3.07Å; H81-K85 PolarHBondContact O-N 3.33Å
82N94.3Very high95.2Very high43 Ų4381.8 Ų81.823%0.2339%0.393CS..Hα-helixtrans-63.7-48.9-179.2-69-8.6000111.8L78 L79 Q80 R84 K85 S86L78-N82 PolarHBondContact O-N 3.17Å; L78-N82 PolarHBondContact O-OD1 3.22Å; L79-N82 PolarHBondContact O-N 3.45Å; Q80-N82 VanDerWaalsContact C-N 3.34Å; Q80-N82 PolarHBondContact O-N 2.91Å; N82-R84 VanDerWaalsContact C-N 3.3Å; N82-R84 PolarHBondContact O-N 3.15Å; N82-K85 PolarHBondContact O-N 3.02Å; N82-K85 VanDerWaalsContact O-N 3.16Å; N82-S86 PolarHBondContact O-N 3.19Å; N82-S86 PolarHBondContact O-OG 2.96Å
83I94.7Very high95.2Very high2 Ų283.6 Ų83.61%0.0140%0.398CS..Hα-helixtrans-58.7-42.8176.1-71.5-63000111.5Y33 L64 Y68 F71 L79 K85 S86 K87Y33-I83 HydrophobicContact CD2-CD1 3.81Å; Y33-I83 HydrophobicContact CE2-CD1 4.41Å; L64-I83 HydrophobicContact CB-CG2 4.29Å; L64-I83 HydrophobicContact CD2-CD1 4.02Å; L64-I83 HydrophobicContact CD2-CG2 4.4Å; L64-I83 WeakPolarHBondContact O-CG2 3.48Å; Y68-I83 HydrophobicContact CD2-CG2 4.44Å; F71-I83 HydrophobicContact CD2-CG1 3.76Å; F71-I83 HydrophobicContact CE2-CD1 4.1Å; F71-I83 HydrophobicContact CE2-CG1 3.52Å; L79-I83 WeakPolarHBondContact O-CG1 3.5Å; L79-I83 PolarHBondContact O-N 3.22Å; I83-K85 VanDerWaalsContact C-N 3.32Å; I83-K85 PolarHBondContact O-N 3.07Å; I83-S86 PolarHBondContact O-N 3.24Å; I83-K87 WeakPolarHBondContact O-CB 3.36Å; I83-K87 PolarHBondContact O-N 3.43Å
84R95.4Very high95.1Very high157 Ų15776.8 Ų76.859%0.59236%0.363SS*.Hα-helixtrans-62.4-40.4178.4-173.4176177174.8-0.4111.9Y68 Q80 H81 N82 R88Y68-R84 HydrophobicContact CE2-CB 4.42Å; Q80-R84 VanDerWaalsContact O-CB 3.32Å; Q80-R84 WeakPolarHBondContact O-CB 3.42Å; Q80-R84 PolarHBondContact O-N 3.26Å; H81-R84 PolarHBondContact O-N 3.07Å; N82-R84 VanDerWaalsContact C-N 3.3Å; N82-R84 PolarHBondContact O-N 3.15Å; R84-R88 PolarHBondContact O-N 3.25Å
85K94.8Very high95.1Very high117 Ų11775.4 Ų75.451%0.50936%0.356SS..Hα-helixtrans-66.5-48.9175.1-175-176.4174.9-169.10111H81 N82 I83 K87 R88 N89H81-K85 PolarHBondContact O-N 3.33Å; N82-K85 PolarHBondContact O-N 3.02Å; N82-K85 VanDerWaalsContact O-N 3.16Å; I83-K85 VanDerWaalsContact C-N 3.32Å; I83-K85 PolarHBondContact O-N 3.07Å; K85-K87 VanDerWaalsContact C-N 3.33Å; K85-K87 PolarHBondContact O-N 3.16Å; K85-R88 PolarHBondContact O-N 2.93Å; K85-N89 PolarHBondContact O-N 3.11Å; K85-N89 PolarHBondContact O-OD1 3.39Å
86S93.4Very high95.2Very high10 Ų1077 Ų777%0.0736%0.359CS..Hα-helixtrans-63.1-38.7-178.9-54.10000112.1N82 I83 N89 L90N82-S86 PolarHBondContact O-N 3.19Å; N82-S86 PolarHBondContact O-OG 2.96Å; I83-S86 PolarHBondContact O-N 3.24Å; S86-N89 PolarHBondContact O-N 3.33Å; S86-L90 PolarHBondContact O-N 2.96Å
87K94.8Very high95.2Very high40 Ų4077.9 Ų77.917%0.17436%0.364CS..Hα-helixtrans-59.8-47.8173.1-176.6174.2170.2170.90111.7L61 L64 D65 I83 K85 N89 L90 Q91L61-K87 HydrophobicContact CD2-CG 3.86Å; L64-K87 HydrophobicContact CB-CD 4.39Å; L64-K87 HydrophobicContact CD1-CB 3.91Å; L64-K87 HydrophobicContact CD1-CG 4.17Å; D65-K87 IonicContact OD1-NZ 2.85Å; D65-K87 PolarHBondContact OD1-NZ 3.35Å; D65-K87 IonicContact OD2-NZ 2.73Å; D65-K87 PolarHBondContact OD2-NZ 3.49Å; I83-K87 WeakPolarHBondContact O-CB 3.36Å; I83-K87 PolarHBondContact O-N 3.43Å; K85-K87 VanDerWaalsContact C-N 3.33Å; K85-K87 PolarHBondContact O-N 3.16Å; K87-N89 PolarHBondContact O-N 2.9Å; K87-L90 PolarHBondContact O-N 3.34Å; K87-Q91 WeakPolarHBondContact O-CG 3.48Å; K87-Q91 PolarHBondContact O-N 3.02Å; K87-Q91 VanDerWaalsContact O-N 3.08Å
88R95.4Very high95.2Very high138 Ų13870.4 Ų70.452%0.52133%0.332SS..Hα-helixtrans-59.9-47.4177.1-177.4-177-66.4156.9-3.2111.4R84 K85 L90 Q91 D92R84-R88 PolarHBondContact O-N 3.25Å; K85-R88 PolarHBondContact O-N 2.93Å; R88-L90 VanDerWaalsContact C-N 3.31Å; R88-L90 PolarHBondContact O-N 3.35Å; R88-Q91 WeakPolarHBondContact O-CB 3.3Å; R88-Q91 PolarHBondContact O-N 3.03Å; R88-Q91 VanDerWaalsContact O-N 3.08Å; R88-D92 WeakPolarHBondContact CG-OD2 3.49Å; R88-D92 PolarHBondContact O-N 2.91Å
89N93.9Very high95.3Very high68 Ų6866.8 Ų66.836%0.36431%0.314SS..Hα-helixtrans-59.1-41.5178.6-72.48000112.1K85 S86 K87 Q91 D92 N93K85-N89 PolarHBondContact O-N 3.11Å; K85-N89 PolarHBondContact O-OD1 3.39Å; S86-N89 PolarHBondContact O-N 3.33Å; K87-N89 PolarHBondContact O-N 2.9Å; N89-Q91 VanDerWaalsContact C-N 3.33Å; N89-Q91 PolarHBondContact O-N 3.08Å; N89-D92 PolarHBondContact O-N 3.36Å; N89-N93 VanDerWaalsContact O-CB 3.29Å; N89-N93 WeakPolarHBondContact O-CB 3.35Å; N89-N93 VanDerWaalsContact O-CG 3.24Å; N89-N93 PolarHBondContact O-N 3.5Å; N89-N93 PolarHBondContact O-ND2 3.4Å
90L93.7Very high95.4Very high3 Ų370.1 Ų70.12%0.01633%0.329CS..Hα-helixtrans-62-41175-78-174.8000112.3F26 I30 L60 L64 S86 K87 R88 F94 M101F26-L90 HydrophobicContact CD2-CD2 4.34Å; I30-L90 HydrophobicContact CD1-CD1 3.32Å; I30-L90 HydrophobicContact CD1-CD2 4.4Å; I30-L90 HydrophobicContact CD1-CG 3.76Å; L60-L90 HydrophobicContact CD2-CD1 3.7Å; L60-L90 HydrophobicContact CG-CD1 4.2Å; L64-L90 HydrophobicContact CD1-CD1 3.9Å; S86-L90 PolarHBondContact O-N 2.96Å; K87-L90 PolarHBondContact O-N 3.34Å; R88-L90 VanDerWaalsContact C-N 3.31Å; R88-L90 PolarHBondContact O-N 3.35Å; L90-F94 HydrophobicContact CD2-CD2 3.62Å; L90-F94 HydrophobicContact CD2-CE2 3.68Å; L90-F94 WeakPolarHBondContact O-CB 3.33Å; L90-F94 PolarHBondContact O-N 2.86Å; L90-M101 HydrophobicContact CD2-SD 4.46Å
91Q95.4Very high95.4Very high63 Ų6368.8 Ų68.829%0.29432%0.323SS..Hα-helixtrans-64-49.6177.1-67.4-178.4-89.600111.5F57 L61 K87 R88 N89 N93 Q95F57-Q91 HydrophobicContact CZ-CG 4.38Å; L61-Q91 HydrophobicContact CD1-CG 3.93Å; L61-Q91 HydrophobicContact CD2-CG 3.78Å; K87-Q91 WeakPolarHBondContact O-CG 3.48Å; K87-Q91 PolarHBondContact O-N 3.02Å; K87-Q91 VanDerWaalsContact O-N 3.08Å; R88-Q91 WeakPolarHBondContact O-CB 3.3Å; R88-Q91 PolarHBondContact O-N 3.03Å; R88-Q91 VanDerWaalsContact O-N 3.08Å; N89-Q91 VanDerWaalsContact C-N 3.33Å; N89-Q91 PolarHBondContact O-N 3.08Å; Q91-N93 VanDerWaalsContact C-N 3.25Å; Q91-N93 PolarHBondContact O-N 3.39Å; Q91-Q95 WeakPolarHBondContact O-CB 2.99Å; Q91-Q95 PolarHBondContact O-N 3.19Å; Q91-Q95 VanDerWaalsContact O-N 3.11Å
92D95.5Very high95.5Very high120 Ų12063.9 Ų63.964%0.64230%0.3SS*.Hα-helixtrans-63.3-33.2-177.9-64.4-17.3000112R88 N89R88-D92 WeakPolarHBondContact CG-OD2 3.49Å; R88-D92 PolarHBondContact O-N 2.91Å; N89-D92 PolarHBondContact O-N 3.36Å
93N94.2Very high95.6Very high92 Ų9267 Ų6749%0.49231%0.314SS..Hα-helixtrans-91-29.9-175.8-68.5-20000114.7N89 Q91N89-N93 VanDerWaalsContact O-CB 3.29Å; N89-N93 WeakPolarHBondContact O-CB 3.35Å; N89-N93 VanDerWaalsContact O-CG 3.24Å; N89-N93 PolarHBondContact O-N 3.5Å; N89-N93 PolarHBondContact O-ND2 3.4Å; Q91-N93 VanDerWaalsContact C-N 3.25Å; Q91-N93 PolarHBondContact O-N 3.39Å
94F95.9Very high95.7Very high6 Ų668.5 Ų68.53%0.02632%0.323CS..Hα-helixtrans-130.3-3.2-166.2-56.5-64.2000115.3S25 F57 L90 E96 D97 P98 Q100 M101 I104S25-F94 WeakPolarHBondContact O-CE2 3.47Å; S25-F94 VanDerWaalsContact O-CZ 3.27Å; S25-F94 WeakPolarHBondContact O-CZ 3.34Å; F57-F94 HydrophobicContact CD2-CB 4.41Å; F57-F94 HydrophobicContact CE2-CB 4Å; L90-F94 HydrophobicContact CD2-CD2 3.62Å; L90-F94 HydrophobicContact CD2-CE2 3.68Å; L90-F94 WeakPolarHBondContact O-CB 3.33Å; L90-F94 PolarHBondContact O-N 2.86Å; F94-E96 VanDerWaalsContact C-N 3.26Å; F94-E96 PolarHBondContact O-N 3.03Å; F94-D97 CarbonylContact O-C 3.1Å; F94-D97 PolarHBondContact O-N 3.34Å; F94-P98 WeakPolarHBondContact O-CA 3.38Å; F94-P98 WeakPolarHBondContact O-CD 3.29Å; F94-P98 VanDerWaalsContact O-N 3.08Å; F94-Q100 HydrophobicContact CE1-CG 4.31Å; F94-M101 HydrophobicContact CB-CB 3.85Å; F94-M101 HydrophobicContact CB-CG 4.39Å; F94-M101 HydrophobicContact CD1-CB 3.68Å; F94-M101 HydrophobicContact CD1-CG 4.4Å; F94-M101 HydrophobicContact CD2-CB 4.1Å; F94-M101 HydrophobicContact CD2-CG 3.96Å; F94-M101 HydrophobicContact CD2-SD 4.47Å; F94-M101 HydrophobicContact CE1-CB 4.23Å; F94-M101 HydrophobicContact CE2-CG 4.33Å; F94-M101 HydrophobicContact CG-CB 3.61Å; F94-M101 HydrophobicContact CG-CG 4Å; F94-I104 HydrophobicContact CE1-CD1 3.67Å; F94-I104 HydrophobicContact CZ-CD1 3.76Å
95Q95.4Very high95.8Very high97 Ų9761.1 Ų61.145%0.45330%0.295SS..SBendtrans-62.6-36.2179.3-174.9178.3-75.100112.3F57 Q91F57-Q95 HydrophobicContact CE1-CB 4.11Å; F57-Q95 HydrophobicContact CE1-CG 4.22Å; F57-Q95 HydrophobicContact CZ-CB 4.08Å; Q91-Q95 WeakPolarHBondContact O-CB 2.99Å; Q91-Q95 PolarHBondContact O-N 3.19Å; Q91-Q95 VanDerWaalsContact O-N 3.11Å
96E96.3Very high95.9Very high173 Ų17357.4 Ų57.481%0.80828%0.278SS*.SBendtrans-82.6-22.1178.1-57.3-58.1126.500112.8F94F94-E96 VanDerWaalsContact C-N 3.26Å; F94-E96 PolarHBondContact O-N 3.03Å
97D95.9Very high96.1Very high72 Ų7260 Ų6039%0.38529%0.291SS..  trans-138.678.7175.5-169.6-3.5000112.8F94 V99 Q100F94-D97 CarbonylContact O-C 3.1Å; F94-D97 PolarHBondContact O-N 3.34Å; D97-V99 PolarHBondContact O-N 3.45Å; D97-V99 PolarHBondContact OD1-N 2.85Å; D97-Q100 HydrophobicContact CB-CB 4.39Å; D97-Q100 PolarHBondContact O-N 3.03Å; D97-Q100 PolarHBondContact OD1-N 3.3Å
98P96.8Very high96.1Very high10 Ų1058.6 Ų58.67%0.06529%0.286CS..Hα-helixtrans-65.5-20.5177.4-25.336.5000114.3A53 F57 F94 M101 S102A53-P98 HydrophobicContact CB-CB 3.97Å; F57-P98 HydrophobicContact CB-CB 3.98Å; F57-P98 HydrophobicContact CB-CG 4.47Å; F57-P98 HydrophobicContact CG-CB 4.41Å; F94-P98 WeakPolarHBondContact O-CA 3.38Å; F94-P98 WeakPolarHBondContact O-CD 3.29Å; F94-P98 VanDerWaalsContact O-N 3.08Å; P98-M101 PolarHBondContact O-N 3.39Å; P98-S102 PolarHBondContact O-N 3.02Å; P98-S102 VanDerWaalsContact O-N 3.11Å; P98-S102 PolarHBondContact O-OG 3.3Å
99V97.9Very high96.2Very high31 Ų3152.4 Ų52.419%0.18826%0.263CS..Hα-helixtrans-70.2-42.5179.9174.90000109.9A47 V50 A53 D97 M101 S102 M103A47-V99 WeakPolarHBondContact O-CG1 3.38Å; V50-V99 HydrophobicContact CB-CG2 4.19Å; V50-V99 HydrophobicContact CG2-CG2 3.79Å; A53-V99 HydrophobicContact CB-CG2 3.83Å; D97-V99 PolarHBondContact O-N 3.45Å; D97-V99 PolarHBondContact OD1-N 2.85Å; V99-M101 VanDerWaalsContact C-N 3.3Å; V99-M101 PolarHBondContact O-N 3.27Å; V99-S102 WeakPolarHBondContact O-CB 3.08Å; V99-S102 PolarHBondContact O-N 3.48Å; V99-S102 VanDerWaalsContact O-N 3.12Å; V99-M103 PolarHBondContact O-N 2.97Å
100Q96.9Very high96.4Very high99 Ų9952.9 Ų52.946%0.46326%0.262SS..Hα-helixtrans-56.5-44.8174.4-175.5-179.2-8.300111.6F94 D97 S102 M103 I104F94-Q100 HydrophobicContact CE1-CG 4.31Å; D97-Q100 HydrophobicContact CB-CB 4.39Å; D97-Q100 PolarHBondContact O-N 3.03Å; D97-Q100 PolarHBondContact OD1-N 3.3Å; Q100-S102 VanDerWaalsContact C-N 3.34Å; Q100-S102 PolarHBondContact O-N 3.33Å; Q100-M103 PolarHBondContact O-N 2.96Å; Q100-I104 HydrophobicContact CG-CD1 4.14Å; Q100-I104 WeakPolarHBondContact O-CG1 3.4Å; Q100-I104 PolarHBondContact O-N 3.46Å
101M96.7Very high96.5Very high0 Ų056 Ų560%028%0.277CS..Hα-helixtrans-59.1-46.8175.5-172.1-163.762.400111.7W43 F57 L60 L90 F94 P98 V99 M103 I104 I105W43-M101 HydrophobicContact CH2-CE 4.44Å; W43-M101 HydrophobicContact CZ3-CE 4.03Å; F57-M101 HydrophobicContact CB-CE 3.91Å; F57-M101 HydrophobicContact CD2-CE 3.82Å; F57-M101 HydrophobicContact CD2-SD 3.62Å; F57-M101 HydrophobicContact CE2-SD 4.25Å; F57-M101 HydrophobicContact CG-CE 4.38Å; L60-M101 HydrophobicContact CD2-CE 4.09Å; L60-M101 HydrophobicContact CD2-SD 3.59Å; L60-M101 VanDerWaalsContact CD2-SD 3.59Å; L90-M101 HydrophobicContact CD2-SD 4.46Å; F94-M101 HydrophobicContact CB-CB 3.85Å; F94-M101 HydrophobicContact CB-CG 4.39Å; F94-M101 HydrophobicContact CD1-CB 3.68Å; F94-M101 HydrophobicContact CD1-CG 4.4Å; F94-M101 HydrophobicContact CD2-CB 4.1Å; F94-M101 HydrophobicContact CD2-CG 3.96Å; F94-M101 HydrophobicContact CD2-SD 4.47Å; F94-M101 HydrophobicContact CE1-CB 4.23Å; F94-M101 HydrophobicContact CE2-CG 4.33Å; F94-M101 HydrophobicContact CG-CB 3.61Å; F94-M101 HydrophobicContact CG-CG 4Å; P98-M101 PolarHBondContact O-N 3.39Å; V99-M101 VanDerWaalsContact C-N 3.3Å; V99-M101 PolarHBondContact O-N 3.27Å; M101-M103 VanDerWaalsContact C-N 3.27Å; M101-M103 PolarHBondContact O-N 3.19Å; M101-I104 PolarHBondContact O-N 3.45Å; M101-I105 HydrophobicContact CE-CD1 4.12Å; M101-I105 HydrophobicContact CG-CD1 3.89Å; M101-I105 HydrophobicContact CG-CG1 4.44Å; M101-I105 WeakPolarHBondContact O-CG1 3.22Å; M101-I105 PolarHBondContact O-N 3.17Å; M101-I105 HydrophobicContact SD-CD1 4.13Å
102S97.9Very high96.6Very high0 Ų053 Ų530%026%0.263CS..Hα-helixtrans-60.4-40.1-179.7-59.70000111.5P98 V99 Q100 I105 Y106P98-S102 PolarHBondContact O-N 3.02Å; P98-S102 VanDerWaalsContact O-N 3.11Å; P98-S102 PolarHBondContact O-OG 3.3Å; V99-S102 WeakPolarHBondContact O-CB 3.08Å; V99-S102 PolarHBondContact O-N 3.48Å; V99-S102 VanDerWaalsContact O-N 3.12Å; Q100-S102 VanDerWaalsContact C-N 3.34Å; Q100-S102 PolarHBondContact O-N 3.33Å; S102-I105 PolarHBondContact O-N 3.37Å; S102-Y106 VanDerWaalsContact O-CB 3.3Å; S102-Y106 WeakPolarHBondContact O-CB 3.44Å; S102-Y106 PolarHBondContact O-N 3.3Å
103M97.3Very high96.7Very high108 Ų10852 Ų5253%0.53225%0.25SC..Hα-helixtrans-64.8-42.3175.3-170.4174.8-173.100112.2A47 V99 Q100 M101 Y106 N107A47-M103 HydrophobicContact CB-CB 4.26Å; V99-M103 PolarHBondContact O-N 2.97Å; Q100-M103 PolarHBondContact O-N 2.96Å; M101-M103 VanDerWaalsContact C-N 3.27Å; M101-M103 PolarHBondContact O-N 3.19Å; M103-Y106 PolarHBondContact O-N 3.37Å; M103-N107 WeakPolarHBondContact O-CB 3.18Å; M103-N107 PolarHBondContact O-N 3.47Å; M103-N107 PolarHBondContact O-ND2 3Å; M103-N107 VanDerWaalsContact O-ND2 3.17Å
104I96.4Very high96.9Very high35 Ų3551.6 Ų51.618%0.17924%0.244CC..Hα-helixtrans-61.2-51.7175.9-68.2164.9000110.1F26 F94 Q100 M101 Y106 N107 C108F26-I104 HydrophobicContact CB-CG2 3.69Å; F26-I104 HydrophobicContact CG-CG2 4.47Å; F94-I104 HydrophobicContact CE1-CD1 3.67Å; F94-I104 HydrophobicContact CZ-CD1 3.76Å; Q100-I104 HydrophobicContact CG-CD1 4.14Å; Q100-I104 WeakPolarHBondContact O-CG1 3.4Å; Q100-I104 PolarHBondContact O-N 3.46Å; M101-I104 PolarHBondContact O-N 3.45Å; I104-Y106 VanDerWaalsContact C-N 3.34Å; I104-Y106 PolarHBondContact O-N 3.29Å; I104-N107 PolarHBondContact O-N 2.98Å; I104-C108 PolarHBondContact O-N 2.94Å; I104-C108 PolarHBondContact O-SG 3.49Å
105I96.8Very high97Very high2 Ų251.9 Ų51.91%0.0125%0.245CC..Hα-helixtrans-60.4-44.9-179.6-63.3169.3000110.8F26 L38 W43 L60 M101 S102 N107 C108 L109F26-I105 HydrophobicContact CD2-CD1 4.37Å; F26-I105 HydrophobicContact CD2-CG1 3.95Å; F26-I105 HydrophobicContact CE1-CG1 4.24Å; F26-I105 HydrophobicContact CE2-CD1 3.73Å; F26-I105 HydrophobicContact CE2-CG1 3.64Å; F26-I105 HydrophobicContact CG-CG1 4.39Å; F26-I105 HydrophobicContact CZ-CD1 4.06Å; F26-I105 HydrophobicContact CZ-CG1 3.8Å; L38-I105 HydrophobicContact CD2-CD1 4.28Å; L38-I105 HydrophobicContact CD2-CG2 4.26Å; W43-I105 HydrophobicContact CD2-CB 4.03Å; W43-I105 HydrophobicContact CD2-CD1 4.4Å; W43-I105 HydrophobicContact CD2-CG2 3.62Å; W43-I105 HydrophobicContact CE3-CB 4.26Å; W43-I105 HydrophobicContact CE3-CD1 4.11Å; W43-I105 HydrophobicContact CE3-CG2 4.3Å; W43-I105 HydrophobicContact CG-CB 4.31Å; W43-I105 HydrophobicContact CG-CG2 3.76Å; W43-I105 HydrophobicContact CH2-CD1 3.74Å; W43-I105 HydrophobicContact CZ2-CD1 4.06Å; W43-I105 HydrophobicContact CZ2-CG2 4.19Å; W43-I105 HydrophobicContact CZ3-CD1 3.75Å; L60-I105 HydrophobicContact CD2-CD1 4.36Å; M101-I105 HydrophobicContact CE-CD1 4.12Å; M101-I105 HydrophobicContact CG-CD1 3.89Å; M101-I105 HydrophobicContact CG-CG1 4.44Å; M101-I105 WeakPolarHBondContact O-CG1 3.22Å; M101-I105 PolarHBondContact O-N 3.17Å; M101-I105 HydrophobicContact SD-CD1 4.13Å; S102-I105 PolarHBondContact O-N 3.37Å; I105-N107 PolarHBondContact O-N 3.45Å; I105-C108 PolarHBondContact O-N 2.99Å; I105-L109 HydrophobicContact CG2-CD1 4.01Å; I105-L109 HydrophobicContact CG2-CG 4.36Å; I105-L109 WeakPolarHBondContact O-CG 3.39Å; I105-L109 PolarHBondContact O-N 3.36Å
106Y97.6Very high97.1Very high38 Ų3848 Ų4815%0.14923%0.228CC..Hα-helixtrans-56.5-48.9175.9170.8-103.4000111.7E44 S102 M103 I104 L109 K110E44-Y106 HydrophobicContact CB-CD2 3.79Å; E44-Y106 HydrophobicContact CB-CE2 3.57Å; E44-Y106 HydrophobicContact CG-CD2 4.46Å; E44-Y106 HydrophobicContact CG-CE2 3.88Å; E44-Y106 PolarHBondContact OE1-OH 2.84Å; S102-Y106 VanDerWaalsContact O-CB 3.3Å; S102-Y106 WeakPolarHBondContact O-CB 3.44Å; S102-Y106 PolarHBondContact O-N 3.3Å; M103-Y106 PolarHBondContact O-N 3.37Å; I104-Y106 VanDerWaalsContact C-N 3.34Å; I104-Y106 PolarHBondContact O-N 3.29Å; Y106-L109 PolarHBondContact O-N 3.31Å; Y106-K110 HydrophobicContact CE1-CD 3.92Å; Y106-K110 VanDerWaalsContact O-CB 3.26Å; Y106-K110 WeakPolarHBondContact O-CB 3.36Å; Y106-K110 PolarHBondContact O-N 3.37Å; Y106-K110 PolarHBondContact OH-NZ 3.14Å
107N96.4Very high97.1Very high65 Ų6544.5 Ų44.535%0.34821%0.211SC..Hα-helixtrans-64-44-180-72.9-27.2000111.5M103 I104 I105 L109 K110 E111M103-N107 WeakPolarHBondContact O-CB 3.18Å; M103-N107 PolarHBondContact O-N 3.47Å; M103-N107 PolarHBondContact O-ND2 3Å; M103-N107 VanDerWaalsContact O-ND2 3.17Å; I104-N107 PolarHBondContact O-N 2.98Å; I105-N107 PolarHBondContact O-N 3.45Å; N107-L109 PolarHBondContact O-N 2.95Å; N107-K110 WeakPolarHBondContact O-CB 3.21Å; N107-K110 PolarHBondContact O-N 3.06Å; N107-E111 WeakPolarHBondContact O-CG 3.26Å; N107-E111 PolarHBondContact O-N 3.27Å
108C96.4Very high97.1Very high10 Ų1044.8 Ų44.87%0.06821%0.213CC..Hα-helixtrans-56.8-53.7175.7-68.20000111.2L21 Y22 I104 I105 K110 E111 E112L21-C108 HydrophobicContact CD2-CB 4.28Å; L21-C108 WeakPolarHBondContact CD2-O 3.41Å; L21-C108 HydrophobicContact CG-CB 4.43Å; Y22-C108 HydrophobicContact CE1-CB 4.38Å; I104-C108 PolarHBondContact O-N 2.94Å; I104-C108 PolarHBondContact O-SG 3.49Å; I105-C108 PolarHBondContact O-N 2.99Å; C108-K110 PolarHBondContact O-N 3.39Å; C108-E111 PolarHBondContact O-N 3.4Å; C108-E112 WeakPolarHBondContact O-CB 3.49Å; C108-E112 WeakPolarHBondContact O-CG 3.35Å; C108-E112 PolarHBondContact O-N 2.81Å
109L97.2Very high97Very high9 Ų944.3 Ų44.35%0.04721%0.21CC..Hα-helixtrans-61.1-33.6180-66.4176.5000112.3Q3 E39 I105 Y106 N107 E112 R113Q3-L109 PolarHBondContact NE2-O 3.5Å; Q3-L109 VanDerWaalsContact NE2-O 3.07Å; E39-L109 HydrophobicContact CG-CD2 4.21Å; I105-L109 HydrophobicContact CG2-CD1 4.01Å; I105-L109 HydrophobicContact CG2-CG 4.36Å; I105-L109 WeakPolarHBondContact O-CG 3.39Å; I105-L109 PolarHBondContact O-N 3.36Å; Y106-L109 PolarHBondContact O-N 3.31Å; N107-L109 PolarHBondContact O-N 2.95Å; L109-E112 WeakPolarHBondContact CD2-OE2 3.41Å; L109-R113 WeakPolarHBondContact O-CG 3.15Å; L109-R113 PolarHBondContact O-N 3.31Å; L109-R113 PolarHBondContact O-NH1 2.92Å; L109-R113 VanDerWaalsContact O-NH1 3.15Å
110K97.3Very high96.8Very high78 Ų7848.2 Ų48.234%0.33923%0.226SC..Hα-helixtrans-70.4-45.2176.9-174.9177.4-175.1168.40112.5Y106 N107 C108 E112 R113 K114Y106-K110 HydrophobicContact CE1-CD 3.92Å; Y106-K110 VanDerWaalsContact O-CB 3.26Å; Y106-K110 WeakPolarHBondContact O-CB 3.36Å; Y106-K110 PolarHBondContact O-N 3.37Å; Y106-K110 PolarHBondContact OH-NZ 3.14Å; N107-K110 WeakPolarHBondContact O-CB 3.21Å; N107-K110 PolarHBondContact O-N 3.06Å; C108-K110 PolarHBondContact O-N 3.39Å; K110-E112 VanDerWaalsContact C-N 3.34Å; K110-R113 PolarHBondContact O-N 3.08Å; K110-K114 PolarHBondContact O-N 2.85Å
111E97.1Very high96.6Very high69 Ų6951.3 Ų51.332%0.32223%0.234SC..Hα-helixtrans-66-38.4176.1-67.2-49.4127.600111.4L21 N107 C108 R113 K114 I115L21-E111 HydrophobicContact CD1-CB 3.76Å; L21-E111 HydrophobicContact CD1-CG 4.07Å; L21-E111 HydrophobicContact CD2-CB 4.06Å; N107-E111 WeakPolarHBondContact O-CG 3.26Å; N107-E111 PolarHBondContact O-N 3.27Å; C108-E111 PolarHBondContact O-N 3.4Å; E111-R113 VanDerWaalsContact C-N 3.3Å; E111-R113 PolarHBondContact O-N 3.44Å; E111-K114 WeakPolarHBondContact O-CB 3.3Å; E111-K114 PolarHBondContact O-N 3.42Å; E111-K114 VanDerWaalsContact O-N 3.09Å; E111-K114 WeakPolarHBondContact OE1-CE 3.49Å; E111-K114 IonicContact OE1-NZ 3.34Å; E111-K114 PolarHBondContact OE1-NZ 3.11Å; E111-K114 WeakPolarHBondContact OE2-CD 3.36Å; E111-K114 IonicContact OE2-NZ 3.57Å; E111-K114 PolarHBondContact OE2-NZ 2.88Å; E111-I115 WeakPolarHBondContact O-CG1 3.47Å; E111-I115 PolarHBondContact O-N 2.97Å
112E97.4Very high96.3Very high0 Ų055 Ų550%025%0.249CC..Hα-helixtrans-56.1-42171.5-76.6-177.7164.900112.7Q3 L7 L21 Y22 R31 C108 L109 K110 K114 I115 L116Q3-E112 PolarHBondContact NE2-OE2 3.25Å; L7-E112 HydrophobicContact CD1-CB 3.79Å; L7-E112 HydrophobicContact CD1-CG 3.5Å; L7-E112 WeakPolarHBondContact CD1-OE1 3.47Å; L7-E112 HydrophobicContact CD2-CB 4.35Å; L21-E112 HydrophobicContact CD2-CG 3.74Å; Y22-E112 VanDerWaalsContact OH-CD 3.31Å; Y22-E112 PolarHBondContact OH-OE1 3.11Å; R31-E112 IonicContact CZ-OE1 2.67Å; R31-E112 IonicContact CZ-OE2 3.38Å; R31-E112 IonicContact NE-OE1 3Å; R31-E112 PolarHBondContact NE-OE1 3.29Å; R31-E112 IonicContact NE-OE2 3.55Å; R31-E112 PolarHBondContact NE-OE2 2.99Å; R31-E112 IonicContact NH2-OE1 2.63Å; R31-E112 IonicContact NH2-OE2 2.84Å; R31-E112 PolarHBondContact NH2-OE2 3.16Å; C108-E112 WeakPolarHBondContact O-CB 3.49Å; C108-E112 WeakPolarHBondContact O-CG 3.35Å; C108-E112 PolarHBondContact O-N 2.81Å; L109-E112 WeakPolarHBondContact CD2-OE2 3.41Å; K110-E112 VanDerWaalsContact C-N 3.34Å; E112-K114 VanDerWaalsContact C-N 3.33Å; E112-K114 PolarHBondContact O-N 3.26Å; E112-I115 PolarHBondContact O-N 3.23Å; E112-L116 PolarHBondContact O-N 3.1Å
113R97.7Very high95.9Very high99 Ų9958.1 Ų58.137%0.37427%0.266SS..Hα-helixtrans-63-40.6175.9-74.8-173.1-69.7-82.14.4111.4Q3 L109 K110 E111 I115 L116 E117Q3-R113 VanDerWaalsContact NE2-CG 3.27Å; L109-R113 WeakPolarHBondContact O-CG 3.15Å; L109-R113 PolarHBondContact O-N 3.31Å; L109-R113 PolarHBondContact O-NH1 2.92Å; L109-R113 VanDerWaalsContact O-NH1 3.15Å; K110-R113 PolarHBondContact O-N 3.08Å; E111-R113 VanDerWaalsContact C-N 3.3Å; E111-R113 PolarHBondContact O-N 3.44Å; R113-I115 VanDerWaalsContact C-N 3.33Å; R113-I115 PolarHBondContact O-N 3.35Å; R113-L116 WeakPolarHBondContact O-CB 3.04Å; R113-L116 PolarHBondContact O-N 3.18Å; R113-E117 WeakPolarHBondContact O-CG 3.39Å; R113-E117 PolarHBondContact O-N 3.31Å
114K97.9Very high95.3Very high83 Ų8359.1 Ų59.136%0.36127%0.27SS..Hα-helixtrans-63.4-39.5175.4-66.5174.6-177.5171.90111.9K110 E111 E112 L116 E117 N118K110-K114 PolarHBondContact O-N 2.85Å; E111-K114 WeakPolarHBondContact O-CB 3.3Å; E111-K114 PolarHBondContact O-N 3.42Å; E111-K114 VanDerWaalsContact O-N 3.09Å; E111-K114 WeakPolarHBondContact OE1-CE 3.49Å; E111-K114 IonicContact OE1-NZ 3.34Å; E111-K114 PolarHBondContact OE1-NZ 3.11Å; E111-K114 WeakPolarHBondContact OE2-CD 3.36Å; E111-K114 IonicContact OE2-NZ 3.57Å; E111-K114 PolarHBondContact OE2-NZ 2.88Å; E112-K114 VanDerWaalsContact C-N 3.33Å; E112-K114 PolarHBondContact O-N 3.26Å; K114-L116 VanDerWaalsContact C-N 3.35Å; K114-E117 PolarHBondContact O-N 3.4Å; K114-N118 VanDerWaalsContact O-CB 3.31Å; K114-N118 WeakPolarHBondContact O-CB 3.42Å; K114-N118 PolarHBondContact O-N 3.39Å; K114-N118 PolarHBondContact O-ND2 2.91Å
115I97.1Very high94.7Very high11 Ų1160.6 Ų60.66%0.05629%0.287CS..Hα-helixtrans-60.9-46175.5-66.3168.2000110.1L7 L10 F14 Q17 V18 E111 E112 R113 N118 A119L7-I115 HydrophobicContact CD2-CG2 4.33Å; L10-I115 HydrophobicContact CD1-CG2 3.85Å; F14-I115 HydrophobicContact CB-CG2 4.01Å; F14-I115 HydrophobicContact CD1-CG2 4.28Å; Q17-I115 HydrophobicContact CB-CD1 3.88Å; Q17-I115 HydrophobicContact CB-CG1 4.26Å; V18-I115 HydrophobicContact CG2-CD1 3.96Å; V18-I115 HydrophobicContact CG2-CG2 4.26Å; E111-I115 WeakPolarHBondContact O-CG1 3.47Å; E111-I115 PolarHBondContact O-N 2.97Å; E112-I115 PolarHBondContact O-N 3.23Å; R113-I115 VanDerWaalsContact C-N 3.33Å; R113-I115 PolarHBondContact O-N 3.35Å; I115-N118 PolarHBondContact O-N 2.86Å; I115-A119 WeakPolarHBondContact O-CB 3.48Å; I115-A119 PolarHBondContact O-N 2.91Å
116L97.2Very high93.4Very high17 Ų1766 Ų669%0.08931%0.313CS..Hα-helixtrans-59.6-48.4176-72.7166.9000112.1Q3 E6 L7 L10 E112 R113 K114 N118 A119 Q120Q3-L116 HydrophobicContact CG-CD1 3.72Å; E6-L116 HydrophobicContact CB-CD2 3.94Å; L7-L116 HydrophobicContact CD2-CD1 4.24Å; L7-L116 HydrophobicContact CD2-CD2 3.94Å; L7-L116 HydrophobicContact CD2-CG 3.71Å; L7-L116 HydrophobicContact CG-CD1 4.35Å; L7-L116 HydrophobicContact CG-CD2 4.27Å; L7-L116 HydrophobicContact CG-CG 4.26Å; L10-L116 HydrophobicContact CD1-CD2 4.04Å; L10-L116 HydrophobicContact CD2-CD2 4.2Å; L10-L116 HydrophobicContact CG-CD2 4.32Å; E112-L116 PolarHBondContact O-N 3.1Å; R113-L116 WeakPolarHBondContact O-CB 3.04Å; R113-L116 PolarHBondContact O-N 3.18Å; K114-L116 VanDerWaalsContact C-N 3.35Å; L116-N118 VanDerWaalsContact C-N 3.33Å; L116-N118 PolarHBondContact O-N 3.2Å; L116-A119 PolarHBondContact O-N 3.12Å; L116-Q120 WeakPolarHBondContact O-CG 3.4Å; L116-Q120 PolarHBondContact O-N 3.27Å
117E96.9Very high91.6Very high98 Ų9870.4 Ų70.446%0.45833%0.334SS..Hα-helixtrans-60.3-42.2177.6-73176.1-166.400112R113 K114 A119 Q120 R121R113-E117 WeakPolarHBondContact O-CG 3.39Å; R113-E117 PolarHBondContact O-N 3.31Å; K114-E117 PolarHBondContact O-N 3.4Å; E117-A119 VanDerWaalsContact C-N 3.34Å; E117-Q120 PolarHBondContact O-N 2.97Å; E117-R121 WeakPolarHBondContact O-CG 3.46Å; E117-R121 PolarHBondContact O-N 2.76Å
118N95.7Very high89.7Confident78 Ų7870.3 Ų70.342%0.41735%0.349SS..Hα-helixtrans-64.7-38.9176.9-73-22.4000111.9F14 K114 I115 L116 R121 F122F14-N118 HydrophobicContact CE1-CB 4.43Å; K114-N118 VanDerWaalsContact O-CB 3.31Å; K114-N118 WeakPolarHBondContact O-CB 3.42Å; K114-N118 PolarHBondContact O-N 3.39Å; K114-N118 PolarHBondContact O-ND2 2.91Å; I115-N118 PolarHBondContact O-N 2.86Å; L116-N118 VanDerWaalsContact C-N 3.33Å; L116-N118 PolarHBondContact O-N 3.2Å; N118-R121 PolarHBondContact O-N 3.25Å; N118-F122 WeakPolarHBondContact O-CB 3.43Å; N118-F122 PolarHBondContact O-N 3.39Å
119A95.1Very high87.7Confident1 Ų174.3 Ų74.31%0.00837%0.369CS..Hα-helixtrans-65.1-43.9175.700000112.4L10 F14 I115 L116 E117 R121 F122 N123L10-A119 HydrophobicContact CD1-CB 4.17Å; L10-A119 HydrophobicContact CD2-CB 3.6Å; L10-A119 HydrophobicContact CG-CB 4.46Å; F14-A119 HydrophobicContact CD1-CB 4.15Å; F14-A119 HydrophobicContact CD2-CB 3.67Å; F14-A119 HydrophobicContact CE1-CB 4.05Å; F14-A119 HydrophobicContact CE2-CB 3.52Å; F14-A119 HydrophobicContact CG-CB 3.99Å; F14-A119 HydrophobicContact CZ-CB 3.76Å; I115-A119 WeakPolarHBondContact O-CB 3.48Å; I115-A119 PolarHBondContact O-N 2.91Å; L116-A119 PolarHBondContact O-N 3.12Å; E117-A119 VanDerWaalsContact C-N 3.34Å; A119-R121 PolarHBondContact O-N 3.25Å; A119-F122 PolarHBondContact O-N 3.14Å; A119-N123 PolarHBondContact O-N 3.41Å
120Q93.4Very high85.5Confident113 Ų11377.9 Ų77.953%0.52839%0.388SS..Hα-helixtrans-60.1-45.7175.2-71176.5-4.700111.8L116 E117 F122 N123 Q124L116-Q120 WeakPolarHBondContact O-CG 3.4Å; L116-Q120 PolarHBondContact O-N 3.27Å; E117-Q120 PolarHBondContact O-N 2.97Å; Q120-F122 VanDerWaalsContact C-N 3.34Å; Q120-F122 PolarHBondContact O-N 3.13Å; Q120-N123 PolarHBondContact O-N 2.84Å; Q120-Q124 WeakPolarHBondContact O-CG 3.36Å; Q120-Q124 PolarHBondContact O-N 3.11Å
121R92.8Very high83.3Confident164 Ų16482.1 Ų82.162%0.61941%0.409SS*.Hα-helixtrans-62.9-39.8176.6-72.5177.5-179.2-171.63.5112.4E117 N118 A119 N123 Q124 A125E117-R121 WeakPolarHBondContact O-CG 3.46Å; E117-R121 PolarHBondContact O-N 2.76Å; N118-R121 PolarHBondContact O-N 3.25Å; A119-R121 PolarHBondContact O-N 3.25Å; R121-N123 VanDerWaalsContact C-N 3.35Å; R121-Q124 PolarHBondContact O-N 3.27Å; R121-A125 WeakPolarHBondContact O-CB 3.45Å; R121-A125 PolarHBondContact O-N 3.25Å
122F91.8Very high81.1Confident76 Ų7683.3 Ų83.333%0.33342%0.418SS..Hα-helixtrans-61.6-44.7177-176.9-86.5000111.5K13 F14 N118 A119 Q120 A125 Q126K13-F122 VanDerWaalsContact NZ-CG 3.32Å; F14-F122 HydrophobicContact CE2-CB 4.45Å; F14-F122 HydrophobicContact CZ-CB 3.84Å; F14-F122 HydrophobicContact CZ-CG 4.15Å; N118-F122 WeakPolarHBondContact O-CB 3.43Å; N118-F122 PolarHBondContact O-N 3.39Å; A119-F122 PolarHBondContact O-N 3.14Å; Q120-F122 VanDerWaalsContact C-N 3.34Å; Q120-F122 PolarHBondContact O-N 3.13Å; F122-A125 PolarHBondContact O-N 3.4Å; F122-Q126 HydrophobicContact CD1-CG 4.25Å; F122-Q126 HydrophobicContact CE1-CG 3.68Å; F122-Q126 VanDerWaalsContact CE1-NE2 3.31Å; F122-Q126 HydrophobicContact CZ-CG 4.02Å; F122-Q126 VanDerWaalsContact CZ-NE2 3.3Å; F122-Q126 PolarHBondContact O-N 2.96Å
123N87.7Confident78.9Confident67 Ų6786.7 Ų86.736%0.35844%0.438SS..Hα-helixtrans-64.9-43.9179.2-67.5-12.8000111.6A119 Q120 R121 A125 Q126 E127A119-N123 PolarHBondContact O-N 3.41Å; Q120-N123 PolarHBondContact O-N 2.84Å; R121-N123 VanDerWaalsContact C-N 3.35Å; N123-A125 VanDerWaalsContact C-N 3.32Å; N123-A125 PolarHBondContact O-N 3.05Å; N123-Q126 PolarHBondContact O-N 3.21Å; N123-Q126 VanDerWaalsContact O-N 3.15Å; N123-E127 WeakPolarHBondContact O-CG 3.46Å; N123-E127 PolarHBondContact O-N 2.96Å
124Q85.4Confident77Confident128 Ų12885.4 Ų85.460%0.59844%0.441SS*.Hα-helixtrans-60.7-39.5174.9-70.7172.511.100112.6Q120 R121 Q126 E127 G128Q120-Q124 WeakPolarHBondContact O-CG 3.36Å; Q120-Q124 PolarHBondContact O-N 3.11Å; R121-Q124 PolarHBondContact O-N 3.27Å; Q124-Q126 VanDerWaalsContact C-N 3.33Å; Q124-E127 PolarHBondContact O-N 3.4Å; Q124-G128 PolarHBondContact O-N 3.42Å
125A83.6Confident75Confident67 Ų6787.8 Ų87.855%0.55446%0.455SS*.Hα-helixtrans-67.4-33.1176.700000112.5R121 F122 N123 N129R121-A125 WeakPolarHBondContact O-CB 3.45Å; R121-A125 PolarHBondContact O-N 3.25Å; F122-A125 PolarHBondContact O-N 3.4Å; N123-A125 VanDerWaalsContact C-N 3.32Å; N123-A125 PolarHBondContact O-N 3.05Å; A125-N129 PolarHBondContact O-N 2.93Å
126Q70.4Confident73.2Confident115 Ų11592.4 Ų92.454%0.53748%0.479SS..Hα-helixtrans-71.5-39.1172.8-73.2-153.2-24.500112.4F122 N123 Q124 G128 N129 I130F122-Q126 HydrophobicContact CD1-CG 4.25Å; F122-Q126 HydrophobicContact CE1-CG 3.68Å; F122-Q126 VanDerWaalsContact CE1-NE2 3.31Å; F122-Q126 HydrophobicContact CZ-CG 4.02Å; F122-Q126 VanDerWaalsContact CZ-NE2 3.3Å; F122-Q126 PolarHBondContact O-N 2.96Å; N123-Q126 PolarHBondContact O-N 3.21Å; N123-Q126 VanDerWaalsContact O-N 3.15Å; Q124-Q126 VanDerWaalsContact C-N 3.33Å; Q126-G128 VanDerWaalsContact C-N 3.35Å; Q126-G128 PolarHBondContact O-N 3.09Å; Q126-N129 WeakPolarHBondContact O-CB 3.37Å; Q126-N129 PolarHBondContact O-N 2.91Å; Q126-I130 PolarHBondContact O-N 3.39Å
127E59.7Low71.5Confident130 Ų13096 Ų9661%0.60750%0.499SS*.Hα-helixtrans-63.9-38.9175.8-72.4176.6-18000112.3N123 Q124 N129 I130N123-E127 WeakPolarHBondContact O-CG 3.46Å; N123-E127 PolarHBondContact O-N 2.96Å; Q124-E127 PolarHBondContact O-N 3.4Å; E127-N129 PolarHBondContact O-N 2.99Å; E127-I130 HydrophobicContact CB-CD1 4.1Å; E127-I130 HydrophobicContact CG-CD1 4.22Å; E127-I130 WeakPolarHBondContact O-CB 3.33Å; E127-I130 WeakPolarHBondContact O-CD1 3.21Å; E127-I130 WeakPolarHBondContact O-CG1 3.23Å; E127-I130 PolarHBondContact O-N 3.11Å
128G56.6Low70.2Confident63 Ų6397.4 Ų97.465%0.64950%0.503SS*.Hα-helixtrans-64.6-20.4171.600000114.2Q124 Q126Q124-G128 PolarHBondContact O-N 3.42Å; Q126-G128 VanDerWaalsContact C-N 3.35Å; Q126-G128 PolarHBondContact O-N 3.09Å
129N52.8Low68.9Low94 Ų9499.3 Ų99.350%0.50351%0.51SS..THydrogen-bonded Turntrans-94.51.5-180-140.6-1.9000113.2A125 Q126 E127 Q131 N132A125-N129 PolarHBondContact O-N 2.93Å; Q126-N129 WeakPolarHBondContact O-CB 3.37Å; Q126-N129 PolarHBondContact O-N 2.91Å; E127-N129 PolarHBondContact O-N 2.99Å; N129-Q131 PolarHBondContact O-N 3.32Å; N129-N132 PolarHBondContact O-N 3.18Å; N129-N132 PolarHBondContact OD1-ND2 3.18Å
130I53Low68Low84 Ų84105.7 Ų105.743%0.43154%0.537SS..Hα-helixtrans-58.4-20.5179.1-69171.1000112.5Q126 E127 N132 T133 V134Q126-I130 PolarHBondContact O-N 3.39Å; E127-I130 HydrophobicContact CB-CD1 4.1Å; E127-I130 HydrophobicContact CG-CD1 4.22Å; E127-I130 WeakPolarHBondContact O-CB 3.33Å; E127-I130 WeakPolarHBondContact O-CD1 3.21Å; E127-I130 WeakPolarHBondContact O-CG1 3.23Å; E127-I130 PolarHBondContact O-N 3.11Å; I130-N132 PolarHBondContact O-N 2.67Å; I130-N132 VanDerWaalsContact O-N 3.15Å; I130-T133 PolarHBondContact O-N 3.13Å; I130-V134 HydrophobicContact CG2-CG2 4.23Å; I130-V134 WeakPolarHBondContact O-CG2 3.29Å; I130-V134 PolarHBondContact O-N 3.06Å; I130-V134 VanDerWaalsContact O-N 3.11Å
131Q51Low67.5Low168 Ų168105.1 Ų105.179%0.78554%0.535SS*.Hα-helixtrans-56.5-29.5171.4-70-168.5-16.800112.8N129N129-Q131 PolarHBondContact O-N 3.32Å
132N49.6Very low66.9Low94 Ų94102.2 Ų102.250%0.50353%0.531SS..Hα-helixtrans-82.6-29.9174.2-73.5-46000113.2N129 I130 M135 L136N129-N132 PolarHBondContact O-N 3.18Å; N129-N132 PolarHBondContact OD1-ND2 3.18Å; I130-N132 PolarHBondContact O-N 2.67Å; I130-N132 VanDerWaalsContact O-N 3.15Å; N132-M135 PolarHBondContact O-N 2.63Å; N132-L136 PolarHBondContact O-N 3.42Å
133T52.3Low66.4Low71 Ų71103.1 Ų103.144%0.43654%0.539SS..Hα-helixtrans-69.1-36.3177.8-50.60000112.1I130 M135 L136 D137I130-T133 PolarHBondContact O-N 3.13Å; T133-M135 PolarHBondContact O-N 3.01Å; T133-L136 PolarHBondContact O-N 2.98Å; T133-D137 PolarHBondContact O-N 3.42Å
134V56.6Low66.3Low71 Ų71103.2 Ų103.243%0.4355%0.545SS..Hα-helixtrans-61.3-30.3175.1-179.50000111.8I130 K138I130-V134 HydrophobicContact CG2-CG2 4.23Å; I130-V134 WeakPolarHBondContact O-CG2 3.29Å; I130-V134 PolarHBondContact O-N 3.06Å; I130-V134 VanDerWaalsContact O-N 3.11Å; V134-K138 HydrophobicContact CG1-CD 4.22Å; V134-K138 WeakPolarHBondContact O-CB 3.45Å; V134-K138 VanDerWaalsContact O-CG 3.26Å; V134-K138 WeakPolarHBondContact O-CG 3.39Å; V134-K138 PolarHBondContact O-N 3.19Å; V134-K138 VanDerWaalsContact O-N 3.14Å
135M56.8Low66.4Low133 Ų133102.6 Ų102.666%0.65554%0.54SS*.Hα-helixtrans-70.7-38.7173.1-73.6-176169.500112N132 T133 Q139N132-M135 PolarHBondContact O-N 2.63Å; T133-M135 PolarHBondContact O-N 3.01Å; M135-Q139 WeakPolarHBondContact O-CB 3.46Å; M135-Q139 PolarHBondContact O-N 3.3Å
136L58.8Low66.4Low108 Ų108104 Ų10457%0.56554%0.542SS*.Hα-helixtrans-68.5-39.7178.3-115.2115.5000112.9N132 T133 Q139 K140N132-L136 PolarHBondContact O-N 3.42Å; T133-L136 PolarHBondContact O-N 2.98Å; L136-Q139 WeakPolarHBondContact O-CB 3.49Å; L136-Q139 PolarHBondContact O-N 3.26Å; L136-K140 WeakPolarHBondContact O-CG 3.39Å; L136-K140 PolarHBondContact O-N 3.05Å
137D61.4Low67.1Low94 Ų94107.2 Ų107.250%0.50355%0.549SS..Hα-helixtrans-70.3-38.9176.3-76.7-26.2000111.6T133 Q139 K140 E141T133-D137 PolarHBondContact O-N 3.42Å; D137-Q139 VanDerWaalsContact C-N 3.32Å; D137-Q139 PolarHBondContact O-N 3.48Å; D137-K140 PolarHBondContact O-N 3.21Å; D137-E141 WeakPolarHBondContact O-CB 3.12Å; D137-E141 PolarHBondContact O-N 3.45Å
138K69.3Low68.3Low127 Ų127105.8 Ų105.855%0.55255%0.545SS*.Hα-helixtrans-63.1-37.5171.2-78.2178.9177.3179.70112.4V134 E141 L142V134-K138 HydrophobicContact CG1-CD 4.22Å; V134-K138 WeakPolarHBondContact O-CB 3.45Å; V134-K138 VanDerWaalsContact O-CG 3.26Å; V134-K138 WeakPolarHBondContact O-CG 3.39Å; V134-K138 PolarHBondContact O-N 3.19Å; V134-K138 VanDerWaalsContact O-N 3.14Å; K138-E141 PolarHBondContact O-N 3.35Å; K138-L142 WeakPolarHBondContact O-CB 3.49Å; K138-L142 WeakPolarHBondContact O-CG 3.34Å; K138-L142 PolarHBondContact O-N 3.1Å
139Q68.8Low69.6Low117 Ų117107 Ų10755%0.54754%0.54SS..Hα-helixtrans-63.2-47.7175.9-16684.833.500110.8M135 L136 D137 E141 L142 D143M135-Q139 WeakPolarHBondContact O-CB 3.46Å; M135-Q139 PolarHBondContact O-N 3.3Å; L136-Q139 WeakPolarHBondContact O-CB 3.49Å; L136-Q139 PolarHBondContact O-N 3.26Å; D137-Q139 VanDerWaalsContact C-N 3.32Å; D137-Q139 PolarHBondContact O-N 3.48Å; Q139-E141 VanDerWaalsContact C-N 3.35Å; Q139-E141 PolarHBondContact O-N 2.89Å; Q139-L142 PolarHBondContact O-N 3.03Å; Q139-D143 PolarHBondContact O-N 3.2Å
140K76.5Confident70.8Confident135 Ų135108.6 Ų108.659%0.58754%0.542SS*.Hα-helixtrans-63.3-38.7176.4-73.9178.3179.9174.20112.7L136 D137 D143 S144L136-K140 WeakPolarHBondContact O-CG 3.39Å; L136-K140 PolarHBondContact O-N 3.05Å; D137-K140 PolarHBondContact O-N 3.21Å; K140-D143 PolarHBondContact O-N 3.23Å; K140-S144 WeakPolarHBondContact O-CB 3.39Å; K140-S144 PolarHBondContact O-N 3.48Å; K140-S144 PolarHBondContact O-OG 2.82Å
141E81.6Confident72Confident101 Ų101109.4 Ų109.447%0.47255%0.548SS..Hα-helixtrans-66.3-42.2176.9-161.3-167150.200111.1D137 K138 Q139 S144 K145D137-E141 WeakPolarHBondContact O-CB 3.12Å; D137-E141 PolarHBondContact O-N 3.45Å; K138-E141 PolarHBondContact O-N 3.35Å; Q139-E141 VanDerWaalsContact C-N 3.35Å; Q139-E141 PolarHBondContact O-N 2.89Å; E141-S144 PolarHBondContact O-N 3.4Å; E141-S144 PolarHBondContact O-OG 3.18Å; E141-K145 WeakPolarHBondContact O-CG 3.42Å; E141-K145 PolarHBondContact O-N 2.92Å; E141-K145 WeakPolarHBondContact OE1-CE 3.39Å; E141-K145 IonicContact OE1-NZ 2.66Å; E141-K145 PolarHBondContact OE1-NZ 2.87Å
142L81.5Confident73.2Confident104 Ų104108.6 Ų108.655%0.54554%0.544SS..Hα-helixtrans-63-45.9174.3-79.1164000111.8K138 Q139 S144 K145 V146K138-L142 WeakPolarHBondContact O-CB 3.49Å; K138-L142 WeakPolarHBondContact O-CG 3.34Å; K138-L142 PolarHBondContact O-N 3.1Å; Q139-L142 PolarHBondContact O-N 3.03Å; L142-S144 VanDerWaalsContact C-N 3.31Å; L142-S144 PolarHBondContact O-N 3.36Å; L142-K145 PolarHBondContact O-N 3.5Å; L142-V146 VanDerWaalsContact O-CG2 3.31Å; L142-V146 WeakPolarHBondContact O-CG2 3.34Å; L142-V146 PolarHBondContact O-N 2.72Å
143D81.5Confident74.2Confident95 Ų95109.9 Ų109.951%0.50856%0.555SS.*Hα-helixtrans-62.2-38.9178.6-75-30.8000111.9Q139 K140 R147Q139-D143 PolarHBondContact O-N 3.2Å; K140-D143 PolarHBondContact O-N 3.23Å; D143-R147 WeakPolarHBondContact O-CB 3.39Å; D143-R147 PolarHBondContact O-N 2.94Å
144S86.1Confident74.1Confident68 Ų68115.5 Ų115.548%0.47658%0.578SS.*Hα-helixtrans-67.2-40175.767.60000112.4K140 E141 L142 R147 N148K140-S144 WeakPolarHBondContact O-CB 3.39Å; K140-S144 PolarHBondContact O-N 3.48Å; K140-S144 PolarHBondContact O-OG 2.82Å; E141-S144 PolarHBondContact O-N 3.4Å; E141-S144 PolarHBondContact O-OG 3.18Å; L142-S144 VanDerWaalsContact C-N 3.31Å; L142-S144 PolarHBondContact O-N 3.36Å; S144-R147 PolarHBondContact O-N 3.38Å; S144-N148 WeakPolarHBondContact O-CB 3.43Å; S144-N148 PolarHBondContact O-N 3.49Å
145K85.7Confident75Confident115 Ų115117.7 Ų117.750%0.559%0.586SS.*Hα-helixtrans-64.3-44.6174.5-77.3170.8171.6168.30112.1E141 L142 R147 N148 V149E141-K145 WeakPolarHBondContact O-CG 3.42Å; E141-K145 PolarHBondContact O-N 2.92Å; E141-K145 WeakPolarHBondContact OE1-CE 3.39Å; E141-K145 IonicContact OE1-NZ 2.66Å; E141-K145 PolarHBondContact OE1-NZ 2.87Å; L142-K145 PolarHBondContact O-N 3.5Å; K145-R147 VanDerWaalsContact C-N 3.31Å; K145-R147 PolarHBondContact O-N 3.45Å; K145-N148 PolarHBondContact O-N 2.84Å; K145-V149 WeakPolarHBondContact O-CG2 3.42Å; K145-V149 PolarHBondContact O-N 3.31Å
146V84.8Confident76Confident97 Ų97116.9 Ų116.959%0.58858%0.582SS**Hα-helixtrans-61.4-41.9177.2169.70000111L142 V149 K150L142-V146 VanDerWaalsContact O-CG2 3.31Å; L142-V146 WeakPolarHBondContact O-CG2 3.34Å; L142-V146 PolarHBondContact O-N 2.72Å; V146-V149 PolarHBondContact O-N 3.26Å; V146-K150 WeakPolarHBondContact O-CB 3.48Å; V146-K150 PolarHBondContact O-N 3.13Å
147R85.3Confident76.9Confident183 Ų183117.4 Ų117.469%0.69158%0.583SS**Hα-helixtrans-63-44.3177.2-155.2174.8-1601665.2111.8D143 S144 K145 V149 K150 D151D143-R147 WeakPolarHBondContact O-CB 3.39Å; D143-R147 PolarHBondContact O-N 2.94Å; S144-R147 PolarHBondContact O-N 3.38Å; K145-R147 VanDerWaalsContact C-N 3.31Å; K145-R147 PolarHBondContact O-N 3.45Å; R147-V149 PolarHBondContact O-N 3.26Å; R147-K150 WeakPolarHBondContact O-CB 3.37Å; R147-K150 PolarHBondContact O-N 2.92Å; R147-D151 VanDerWaalsContact O-CG 3.26Å; R147-D151 PolarHBondContact O-N 2.87Å
148N84.9Confident77.8Confident99 Ų99118.8 Ų118.853%0.52959%0.588SS.*Hα-helixtrans-64.9-39.1179.8-152.62.4000112.3S144 K145 D151 Q152S144-N148 WeakPolarHBondContact O-CB 3.43Å; S144-N148 PolarHBondContact O-N 3.49Å; K145-N148 PolarHBondContact O-N 2.84Å; N148-D151 PolarHBondContact O-N 3.09Å; N148-Q152 WeakPolarHBondContact O-CG 3.35Å; N148-Q152 PolarHBondContact O-N 3.3Å
149V84.2Confident78.4Confident88 Ų88118.3 Ų118.353%0.53359%0.59SS.*Hα-helixtrans-65.8-40.8174.3172.80000111.3K145 V146 R147 D151 Q152 V153K145-V149 WeakPolarHBondContact O-CG2 3.42Å; K145-V149 PolarHBondContact O-N 3.31Å; V146-V149 PolarHBondContact O-N 3.26Å; R147-V149 PolarHBondContact O-N 3.26Å; V149-D151 VanDerWaalsContact C-N 3.28Å; V149-D151 PolarHBondContact O-N 2.62Å; V149-Q152 PolarHBondContact O-N 2.89Å; V149-V153 WeakPolarHBondContact O-CG2 3.41Å; V149-V153 PolarHBondContact O-N 3.06Å
150K76.9Confident79Confident128 Ų128118.3 Ų118.356%0.55759%0.593SS**Hα-helixtrans-60.2-39.7175.8179.1-179.8173.1179.10111.8V146 R147 Q152 V153 M154V146-K150 WeakPolarHBondContact O-CB 3.48Å; V146-K150 PolarHBondContact O-N 3.13Å; R147-K150 WeakPolarHBondContact O-CB 3.37Å; R147-K150 PolarHBondContact O-N 2.92Å; K150-Q152 VanDerWaalsContact C-N 3.29Å; K150-Q152 PolarHBondContact O-N 3.48Å; K150-V153 PolarHBondContact O-N 3.08Å; K150-M154 HydrophobicContact CD-CE 4.02Å; K150-M154 HydrophobicContact CG-CE 3.45Å; K150-M154 VanDerWaalsContact CG-CE 3.45Å; K150-M154 PolarHBondContact O-N 3.41Å
151D77.9Confident79.2Confident101 Ų101117.1 Ų117.154%0.5459%0.593SS.*Hα-helixtrans-74.4-17179.9-64.1-21.5000113.1R147 N148 V149R147-D151 VanDerWaalsContact O-CG 3.26Å; R147-D151 PolarHBondContact O-N 2.87Å; N148-D151 PolarHBondContact O-N 3.09Å; V149-D151 VanDerWaalsContact C-N 3.28Å; V149-D151 PolarHBondContact O-N 2.62Å
152Q76.5Confident79Confident152 Ų152118.4 Ų118.471%0.7160%0.603SS**Hα-helixtrans-90.4-15.7176.1-75.1-171.7-23.400114.3N148 V149 K150N148-Q152 WeakPolarHBondContact O-CG 3.35Å; N148-Q152 PolarHBondContact O-N 3.3Å; V149-Q152 PolarHBondContact O-N 2.89Å; K150-Q152 VanDerWaalsContact C-N 3.29Å; K150-Q152 PolarHBondContact O-N 3.48Å
153V69.9Low78.8Confident121 Ų121119.6 Ų119.673%0.73361%0.608SS**Hα-helixtrans-104.3-13.9-175178.50000112.4V149 K150V149-V153 WeakPolarHBondContact O-CG2 3.41Å; V149-V153 PolarHBondContact O-N 3.06Å; K150-V153 PolarHBondContact O-N 3.08Å
154M51.9Low78.6Confident188 Ų188121.8 Ų121.893%0.92662%0.617SS**  trans-100.30170-81.4-170.4-80.800111.4K150K150-M154 HydrophobicContact CD-CE 4.02Å; K150-M154 HydrophobicContact CG-CE 3.45Å; K150-M154 VanDerWaalsContact CG-CE 3.45Å; K150-M154 PolarHBondContact O-N 3.41Å

Retrieved 154 of 154 residues in 312.1 ms (Link to these results)

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