A0A3Q0KF51_SCHMA Loading...

FAR-17a/AIG1-like protein

AlphaFold DB , UniProt , Accession A0A3Q0KF51, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 242 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
1M77.4Confident93.4Very high188 Ų18872.9 Ų72.993%0.92641%0.41SS*.  0-59.90-159.7176.8-76.600112.7I3 V4 L5M1-I3 VanDerWaalsContact C-N 3.35Å; M1-I3 PolarHBondContact O-N 3.06Å; M1-V4 PolarHBondContact O-N 2.93Å; M1-V4 VanDerWaalsContact O-N 3.13Å; M1-L5 HydrophobicContact CG-CD1 4.06Å; M1-L5 HydrophobicContact CG-CG 4.44Å; M1-L5 PolarHBondContact O-N 3.41Å
2A85.8Confident93.8Very high57 Ų5774.4 Ų74.447%0.47142%0.422SS..Hα-helixtrans-56.5-40.5-177.300000114.8L5 S6A2-L5 PolarHBondContact O-N 2.72Å; A2-S6 WeakPolarHBondContact O-CB 3.48Å; A2-S6 PolarHBondContact O-N 3.26Å; A2-S6 PolarHBondContact O-OG 3.33Å
3I90.1Very high94.2Very high114 Ų11469.2 Ų69.259%0.58539%0.394SS*.Hα-helixtrans-62-48.4176.3-62.7172.4000111M1 L5 S6 V7M1-I3 VanDerWaalsContact C-N 3.35Å; M1-I3 PolarHBondContact O-N 3.06Å; I3-L5 VanDerWaalsContact C-N 3.35Å; I3-L5 PolarHBondContact O-N 3.36Å; I3-S6 WeakPolarHBondContact O-CB 3.43Å; I3-S6 PolarHBondContact O-N 3.42Å; I3-S6 VanDerWaalsContact O-N 3.15Å; I3-V7 HydrophobicContact CG2-CG2 4.49Å; I3-V7 WeakPolarHBondContact O-CG2 3.21Å; I3-V7 PolarHBondContact O-N 2.99Å
4V93.7Very high94.5Very high103 Ų10367.1 Ų67.162%0.62438%0.381SS*.Hα-helixtrans-60.1-45.2179.4179.80000110.9M1 S6 V7 L8M1-V4 PolarHBondContact O-N 2.93Å; M1-V4 VanDerWaalsContact O-N 3.13Å; V4-S6 VanDerWaalsContact C-N 3.34Å; V4-S6 PolarHBondContact O-N 2.91Å; V4-V7 PolarHBondContact O-N 3.46Å; V4-L8 WeakPolarHBondContact O-CB 3.39Å; V4-L8 PolarHBondContact O-N 3.12Å
5L95.9Very high94.8Very high81 Ų8168.3 Ų68.342%0.42439%0.394SS..Hα-helixtrans-63.4-38.3175.9-67.8174.7000112.4M1 A2 I3 H9 L133M1-L5 HydrophobicContact CG-CD1 4.06Å; M1-L5 HydrophobicContact CG-CG 4.44Å; M1-L5 PolarHBondContact O-N 3.41Å; A2-L5 PolarHBondContact O-N 2.72Å; I3-L5 VanDerWaalsContact C-N 3.35Å; I3-L5 PolarHBondContact O-N 3.36Å; L5-H9 WeakPolarHBondContact O-CB 3.34Å; L5-H9 PolarHBondContact O-N 3.22Å; L5-L133 HydrophobicContact CB-CD2 4.12Å
6S95.6Very high95Very high1 Ų168 Ų681%0.00739%0.387CS..Hα-helixtrans-63.3-47.1176.2-54.10000111A2 I3 V4 H9 R10 L133A2-S6 WeakPolarHBondContact O-CB 3.48Å; A2-S6 PolarHBondContact O-N 3.26Å; A2-S6 PolarHBondContact O-OG 3.33Å; I3-S6 WeakPolarHBondContact O-CB 3.43Å; I3-S6 PolarHBondContact O-N 3.42Å; I3-S6 VanDerWaalsContact O-N 3.15Å; V4-S6 VanDerWaalsContact C-N 3.34Å; V4-S6 PolarHBondContact O-N 2.91Å; S6-H9 PolarHBondContact O-N 3.24Å; S6-R10 WeakPolarHBondContact O-CB 3.5Å; S6-R10 WeakPolarHBondContact O-CD 3.39Å; S6-R10 WeakPolarHBondContact O-CG 3.4Å; S6-R10 PolarHBondContact O-N 3.01Å; S6-L133 WeakPolarHBondContact OG-CB 3.44Å
7V96.9Very high95.2Very high55 Ų5564.2 Ų64.233%0.33337%0.365SS..Hα-helixtrans-63.4-46.2178.8173.80000110.6I3 V4 H9 R10 S11 T62I3-V7 HydrophobicContact CG2-CG2 4.49Å; I3-V7 WeakPolarHBondContact O-CG2 3.21Å; I3-V7 PolarHBondContact O-N 2.99Å; V4-V7 PolarHBondContact O-N 3.46Å; V7-H9 PolarHBondContact O-N 2.94Å; V7-R10 PolarHBondContact O-N 3.3Å; V7-S11 PolarHBondContact O-N 3.35Å; V7-S11 PolarHBondContact O-OG 3.07Å; V7-S11 VanDerWaalsContact O-OG 3.11Å; V7-T62 HydrophobicContact CG2-CG2 3.94Å
8L97.6Very high95.3Very high106 Ų10665.4 Ų65.456%0.55537%0.369SS*.Hα-helixtrans-59.7-48.4177.9-179.164.6000111.9V4 R10 S11 V12V4-L8 WeakPolarHBondContact O-CB 3.39Å; V4-L8 PolarHBondContact O-N 3.12Å; L8-R10 PolarHBondContact O-N 2.95Å; L8-S11 PolarHBondContact O-N 3.45Å; L8-V12 HydrophobicContact CD1-CG2 4.45Å; L8-V12 WeakPolarHBondContact O-CG2 3.43Å; L8-V12 PolarHBondContact O-N 3Å
9H98.1Very high95.4Very high34 Ų3467.9 Ų67.916%0.15737%0.373CS..Hα-helixtrans-55.9-50.7176174.328.2000111.3L5 S6 V7 S11 V12 A13 A126 L133L5-H9 WeakPolarHBondContact O-CB 3.34Å; L5-H9 PolarHBondContact O-N 3.22Å; S6-H9 PolarHBondContact O-N 3.24Å; V7-H9 PolarHBondContact O-N 2.94Å; H9-S11 VanDerWaalsContact C-N 3.34Å; H9-S11 PolarHBondContact O-N 3.23Å; H9-V12 PolarHBondContact O-N 3.04Å; H9-A13 WeakPolarHBondContact O-CB 3.36Å; H9-A13 PolarHBondContact O-N 3.44Å; H9-A126 PolarHBondContact NE2-O 3.27Å; H9-L133 HydrophobicContact CB-CD1 3.87Å
10R98.1Very high95.4Very high3 Ų364.6 Ų64.61%0.01135%0.354CS..Hα-helixtrans-61.4-40.4-178.9-67.7164.8-175.7173.84.2112.4S6 V7 L8 A13 L14 Y58 A61 T62 H73 D130S6-R10 WeakPolarHBondContact O-CB 3.5Å; S6-R10 WeakPolarHBondContact O-CD 3.39Å; S6-R10 WeakPolarHBondContact O-CG 3.4Å; S6-R10 PolarHBondContact O-N 3.01Å; V7-R10 PolarHBondContact O-N 3.3Å; L8-R10 PolarHBondContact O-N 2.95Å; R10-A13 PolarHBondContact O-N 2.92Å; R10-L14 WeakPolarHBondContact O-CB 3.45Å; R10-L14 PolarHBondContact O-N 3.3Å; R10-Y58 HydrophobicContact CB-CD1 4.05Å; R10-Y58 HydrophobicContact CG-CD1 3.91Å; R10-Y58 HydrophobicContact CG-CE1 4.35Å; R10-A61 HydrophobicContact CG-CB 4.49Å; R10-A61 PolarHBondContact NH1-O 2.83Å; R10-T62 VanDerWaalsContact CD-OG1 3.29Å; R10-T62 WeakPolarHBondContact CD-OG1 3.29Å; R10-H73 PolarHBondContact NH2-CE1 3.45Å; R10-D130 IonicContact CZ-OD1 3.49Å; R10-D130 IonicContact NE-OD1 3.51Å; R10-D130 PolarHBondContact NE-OD1 3.32Å; R10-D130 IonicContact NE-OD2 2.86Å; R10-D130 IonicContact NH2-OD1 3.3Å; R10-D130 PolarHBondContact NH2-OD1 2.89Å; R10-D130 IonicContact NH2-OD2 3.95Å
11S98.2Very high95.4Very high60 Ų6062.5 Ų62.542%0.4234%0.344SS..Hα-helixtrans-64-44.9176.2-62.10000111.7V7 L8 H9 L14 C15V7-S11 PolarHBondContact O-N 3.35Å; V7-S11 PolarHBondContact O-OG 3.07Å; V7-S11 VanDerWaalsContact O-OG 3.11Å; L8-S11 PolarHBondContact O-N 3.45Å; H9-S11 VanDerWaalsContact C-N 3.34Å; H9-S11 PolarHBondContact O-N 3.23Å; S11-L14 PolarHBondContact O-N 2.81Å; S11-C15 PolarHBondContact O-N 2.9Å; S11-C15 PolarHBondContact O-SG 3.2Å; S11-C15 VanDerWaalsContact O-SG 3.32Å
12V98.4Very high96.1Very high91 Ų9158.7 Ų58.755%0.55232%0.322SS*.Hα-helixtrans-63.3-46.6176.8172.20000110.9L8 H9 L14 C15 F16L8-V12 HydrophobicContact CD1-CG2 4.45Å; L8-V12 WeakPolarHBondContact O-CG2 3.43Å; L8-V12 PolarHBondContact O-N 3Å; H9-V12 PolarHBondContact O-N 3.04Å; V12-L14 PolarHBondContact O-N 3.23Å; V12-C15 PolarHBondContact O-N 3.36Å; V12-F16 VanDerWaalsContact O-CB 3.3Å; V12-F16 WeakPolarHBondContact O-CB 3.28Å; V12-F16 PolarHBondContact O-N 2.93Å
13A98.5Very high96.4Very high7 Ų758.1 Ų58.16%0.05831%0.308CS..Hα-helixtrans-61.4-43.1177.600000111.9H9 R10 F16 F17 Y58H9-A13 WeakPolarHBondContact O-CB 3.36Å; H9-A13 PolarHBondContact O-N 3.44Å; R10-A13 PolarHBondContact O-N 2.92Å; A13-F16 PolarHBondContact O-N 3.03Å; A13-F17 HydrophobicContact CB-CD2 4.48Å; A13-F17 HydrophobicContact CB-CE2 4.3Å; A13-F17 WeakPolarHBondContact O-CD2 3.49Å; A13-F17 PolarHBondContact O-N 3.07Å; A13-Y58 HydrophobicContact CB-CD1 3.91Å; A13-Y58 HydrophobicContact CB-CD2 3.92Å; A13-Y58 HydrophobicContact CB-CE1 3.74Å; A13-Y58 HydrophobicContact CB-CE2 3.79Å; A13-Y58 HydrophobicContact CB-CG 4Å
14L98.6Very high96.5Very high39 Ų3952.8 Ų52.820%0.20428%0.281CS..Hα-helixtrans-59.7-51.8176.8-179.759.7000111.4R10 S11 V12 F16 F17 I18 I55 A59R10-L14 WeakPolarHBondContact O-CB 3.45Å; R10-L14 PolarHBondContact O-N 3.3Å; S11-L14 PolarHBondContact O-N 2.81Å; V12-L14 PolarHBondContact O-N 3.23Å; L14-F16 VanDerWaalsContact C-N 3.29Å; L14-F16 PolarHBondContact O-N 3.3Å; L14-F17 PolarHBondContact O-N 3.19Å; L14-I18 HydrophobicContact CD1-CD1 3.95Å; L14-I18 HydrophobicContact CD1-CG1 4.36Å; L14-I18 HydrophobicContact CG-CD1 3.96Å; L14-I18 VanDerWaalsContact O-CG1 3.31Å; L14-I18 WeakPolarHBondContact O-CG1 3.44Å; L14-I18 PolarHBondContact O-N 3.12Å; L14-I55 HydrophobicContact CD1-CB 4.37Å; L14-I55 HydrophobicContact CD1-CG2 3.83Å; L14-I55 WeakPolarHBondContact CD1-O 3.18Å; L14-A59 HydrophobicContact CD1-CB 4.23Å; L14-A59 HydrophobicContact CD2-CB 4.36Å
15C98.5Very high96.3Very high86 Ų8648.3 Ų48.358%0.58125%0.253SS*.Hα-helixtrans-59.5-41.8177.1-68.40000111.7S11 V12 I18 Y19S11-C15 PolarHBondContact O-N 2.9Å; S11-C15 PolarHBondContact O-SG 3.2Å; S11-C15 VanDerWaalsContact O-SG 3.32Å; V12-C15 PolarHBondContact O-N 3.36Å; C15-I18 PolarHBondContact O-N 2.72Å; C15-Y19 WeakPolarHBondContact O-CB 3.47Å; C15-Y19 PolarHBondContact O-N 3.42Å
16F98.6Very high96.1Very high63 Ų6347.9 Ų47.928%0.27625%0.249SC..Hα-helixtrans-60-51177.4177.4-99.3000111.8V12 A13 L14 I18 Y19 I20 A118 I122V12-F16 VanDerWaalsContact O-CB 3.3Å; V12-F16 WeakPolarHBondContact O-CB 3.28Å; V12-F16 PolarHBondContact O-N 2.93Å; A13-F16 PolarHBondContact O-N 3.03Å; L14-F16 VanDerWaalsContact C-N 3.29Å; L14-F16 PolarHBondContact O-N 3.3Å; F16-I18 PolarHBondContact O-N 3.42Å; F16-Y19 WeakPolarHBondContact O-CB 3.43Å; F16-Y19 PolarHBondContact O-N 3.35Å; F16-Y19 VanDerWaalsContact O-N 3.17Å; F16-I20 HydrophobicContact CD1-CG1 4.26Å; F16-I20 HydrophobicContact CE1-CD1 4.36Å; F16-I20 HydrophobicContact CE1-CG1 3.84Å; F16-I20 HydrophobicContact CE2-CD1 4.17Å; F16-I20 HydrophobicContact CE2-CG1 4.37Å; F16-I20 HydrophobicContact CZ-CD1 3.9Å; F16-I20 HydrophobicContact CZ-CG1 3.9Å; F16-I20 WeakPolarHBondContact O-CG1 3.31Å; F16-I20 PolarHBondContact O-N 3.18Å; F16-A118 HydrophobicContact CE1-CB 4.39Å; F16-A118 HydrophobicContact CZ-CB 3.78Å; F16-I122 HydrophobicContact CE1-CB 4.45Å; F16-I122 HydrophobicContact CE1-CD1 4.37Å; F16-I122 HydrophobicContact CE1-CG2 3.86Å; F16-I122 HydrophobicContact CZ-CD1 3.88Å; F16-I122 HydrophobicContact CZ-CG2 4.36Å
17F98.2Very high95.8Very high3 Ų350.3 Ų50.31%0.01326%0.261CS..Hα-helixtrans-70.1-31.9-178.4-69.7-61.4000113.2A13 L14 Y19 I20 V21 I51 Q54 I55 Y58 I122A13-F17 HydrophobicContact CB-CD2 4.48Å; A13-F17 HydrophobicContact CB-CE2 4.3Å; A13-F17 WeakPolarHBondContact O-CD2 3.49Å; A13-F17 PolarHBondContact O-N 3.07Å; L14-F17 PolarHBondContact O-N 3.19Å; F17-Y19 VanDerWaalsContact C-N 3.33Å; F17-I20 PolarHBondContact O-N 3Å; F17-V21 PolarHBondContact O-N 3.28Å; F17-V21 VanDerWaalsContact O-N 3.08Å; F17-I51 HydrophobicContact CB-CG2 4.18Å; F17-I51 HydrophobicContact CD1-CG2 4.2Å; F17-Q54 HydrophobicContact CD1-CB 4.41Å; F17-Q54 HydrophobicContact CD2-CB 3.88Å; F17-Q54 HydrophobicContact CE2-CB 4.21Å; F17-Q54 HydrophobicContact CE2-CG 4.47Å; F17-Q54 HydrophobicContact CG-CB 4.03Å; F17-Q54 HydrophobicContact CZ-CG 4.48Å; F17-I55 HydrophobicContact CB-CD1 4.45Å; F17-I55 HydrophobicContact CB-CG1 3.75Å; F17-Y58 AromaticContact CD2-CD2 3.91Å; F17-Y58 HydrophobicContact CD2-CD2 3.91Å; F17-Y58 AromaticContact CD2-CE2 3.85Å; F17-Y58 HydrophobicContact CD2-CE2 3.85Å; F17-Y58 HydrophobicContact CE2-CD2 4.09Å; F17-Y58 AromaticContact CE2-CE2 3.54Å; F17-Y58 HydrophobicContact CE2-CE2 3.54Å; F17-I122 HydrophobicContact CZ-CG2 4.48Å
18I97.2Very high95.2Very high86 Ų8652.3 Ų52.344%0.44127%0.266SS..Hα-helixtrans-61-45.6169.4-70.4169.2000110.2L14 C15 F16 I20 V21 F22 I55L14-I18 HydrophobicContact CD1-CD1 3.95Å; L14-I18 HydrophobicContact CD1-CG1 4.36Å; L14-I18 HydrophobicContact CG-CD1 3.96Å; L14-I18 VanDerWaalsContact O-CG1 3.31Å; L14-I18 WeakPolarHBondContact O-CG1 3.44Å; L14-I18 PolarHBondContact O-N 3.12Å; C15-I18 PolarHBondContact O-N 2.72Å; F16-I18 PolarHBondContact O-N 3.42Å; I18-I20 VanDerWaalsContact C-N 3.32Å; I18-I20 PolarHBondContact O-N 3.46Å; I18-V21 PolarHBondContact O-N 3.18Å; I18-F22 PolarHBondContact O-N 3.09Å; I18-I55 HydrophobicContact CG1-CD1 4.05Å; I18-I55 HydrophobicContact CG1-CG1 4.18Å; I18-I55 HydrophobicContact CG1-CG2 4.21Å
19Y96.9Very high94.8Very high114 Ų11449.2 Ų49.245%0.44725%0.248SC..Hα-helixtrans-60.8-40.8175.8171.4-102.6000112C15 F16 F17 V21 F22 Y23 W114C15-Y19 WeakPolarHBondContact O-CB 3.47Å; C15-Y19 PolarHBondContact O-N 3.42Å; F16-Y19 WeakPolarHBondContact O-CB 3.43Å; F16-Y19 PolarHBondContact O-N 3.35Å; F16-Y19 VanDerWaalsContact O-N 3.17Å; F17-Y19 VanDerWaalsContact C-N 3.33Å; Y19-V21 PolarHBondContact O-N 3.46Å; Y19-F22 WeakPolarHBondContact O-CB 3.44Å; Y19-F22 PolarHBondContact O-N 3.09Å; Y19-Y23 WeakPolarHBondContact O-CB 3.47Å; Y19-Y23 PolarHBondContact O-N 2.98Å; Y19-W114 HydrophobicContact CE1-CH2 4.42Å
20I96.7Very high94.2Very high0 Ų049.3 Ų49.30%026%0.259CS..Hα-helixtrans-60.8-43.7175.9-64.1-52.5000111.3F16 F17 I18 F22 Y23 T24 I51 W114 Y115 A118 C119F16-I20 HydrophobicContact CD1-CG1 4.26Å; F16-I20 HydrophobicContact CE1-CD1 4.36Å; F16-I20 HydrophobicContact CE1-CG1 3.84Å; F16-I20 HydrophobicContact CE2-CD1 4.17Å; F16-I20 HydrophobicContact CE2-CG1 4.37Å; F16-I20 HydrophobicContact CZ-CD1 3.9Å; F16-I20 HydrophobicContact CZ-CG1 3.9Å; F16-I20 WeakPolarHBondContact O-CG1 3.31Å; F16-I20 PolarHBondContact O-N 3.18Å; F17-I20 PolarHBondContact O-N 3Å; I18-I20 VanDerWaalsContact C-N 3.32Å; I18-I20 PolarHBondContact O-N 3.46Å; I20-F22 VanDerWaalsContact C-N 3.34Å; I20-F22 PolarHBondContact O-N 3.42Å; I20-Y23 PolarHBondContact O-N 3.4Å; I20-T24 WeakPolarHBondContact O-CB 3.21Å; I20-T24 PolarHBondContact O-N 3.42Å; I20-T24 PolarHBondContact O-OG1 3.19Å; I20-I51 HydrophobicContact CG2-CD1 3.89Å; I20-W114 HydrophobicContact CD1-CZ3 4.11Å; I20-Y115 HydrophobicContact CG2-CE2 4.12Å; I20-A118 HydrophobicContact CD1-CB 3.59Å; I20-A118 HydrophobicContact CG1-CB 4.17Å; I20-C119 VanDerWaalsContact CG2-SG 3.57Å
21V93.9Very high93.6Very high22 Ų2256.6 Ų56.613%0.13330%0.298CS..Hα-helixtrans-61.7-43175.9172.80000111.7F17 I18 Y19 T24 Y25 L39 I51 I55F17-V21 PolarHBondContact O-N 3.28Å; F17-V21 VanDerWaalsContact O-N 3.08Å; I18-V21 PolarHBondContact O-N 3.18Å; Y19-V21 PolarHBondContact O-N 3.46Å; V21-T24 WeakPolarHBondContact O-CB 3.45Å; V21-T24 PolarHBondContact O-N 2.98Å; V21-Y25 PolarHBondContact O-N 3.39Å; V21-L39 HydrophobicContact CG1-CD1 3.8Å; V21-I51 HydrophobicContact CG2-CG2 3.57Å; V21-I55 HydrophobicContact CG2-CD1 3.67Å
22F92.2Very high93.1Very high108 Ų10858.8 Ų58.847%0.47431%0.305SS..Hα-helixtrans-61.2-45.7175.5173.6-98.9000111.8I18 Y19 I20 Y25 Q26I18-F22 PolarHBondContact O-N 3.09Å; Y19-F22 WeakPolarHBondContact O-CB 3.44Å; Y19-F22 PolarHBondContact O-N 3.09Å; I20-F22 VanDerWaalsContact C-N 3.34Å; I20-F22 PolarHBondContact O-N 3.42Å; F22-Y25 WeakPolarHBondContact O-CB 3.46Å; F22-Y25 PolarHBondContact O-N 3.19Å; F22-Q26 HydrophobicContact CE1-CG 4.1Å; F22-Q26 HydrophobicContact CE2-CG 4.44Å; F22-Q26 VanDerWaalsContact CZ-CD 3.44Å; F22-Q26 HydrophobicContact CZ-CG 4.06Å; F22-Q26 PolarHBondContact O-N 2.8Å
23Y93Very high92.6Very high45 Ų4558.7 Ų58.718%0.17631%0.306CS..Hα-helixtrans-64.7-40.2177.5-173.1-89.9000111.9Y19 I20 Y25 Q26 L27 W114 Y115Y19-Y23 WeakPolarHBondContact O-CB 3.47Å; Y19-Y23 PolarHBondContact O-N 2.98Å; I20-Y23 PolarHBondContact O-N 3.4Å; Y23-Y25 VanDerWaalsContact C-N 3.3Å; Y23-Y25 PolarHBondContact O-N 3.33Å; Y23-Q26 PolarHBondContact O-N 3.24Å; Y23-L27 WeakPolarHBondContact O-CB 3.26Å; Y23-L27 PolarHBondContact O-N 3.14Å; Y23-W114 AromaticContact CD1-CH2 3.87Å; Y23-W114 HydrophobicContact CD1-CH2 3.87Å; Y23-W114 HydrophobicContact CD1-CZ2 4.35Å; Y23-W114 HydrophobicContact CD2-CH2 4.05Å; Y23-W114 HydrophobicContact CD2-CZ2 4.36Å; Y23-W114 AromaticContact CE1-CH2 3.74Å; Y23-W114 HydrophobicContact CE1-CH2 3.74Å; Y23-W114 AromaticContact CE1-CZ2 3.75Å; Y23-W114 HydrophobicContact CE1-CZ2 3.75Å; Y23-W114 AromaticContact CE2-CH2 3.94Å; Y23-W114 HydrophobicContact CE2-CH2 3.94Å; Y23-W114 AromaticContact CE2-CZ2 3.79Å; Y23-W114 HydrophobicContact CE2-CZ2 3.79Å; Y23-W114 HydrophobicContact CG-CH2 4.02Å; Y23-W114 AromaticContact CZ-CH2 3.79Å; Y23-W114 AromaticContact CZ-CZ2 3.45Å; Y23-W114 VanDerWaalsContact CZ-CZ2 3.45Å; Y23-Y115 AromaticContact CD1-CD2 3.36Å; Y23-Y115 HydrophobicContact CD1-CD2 3.36Å; Y23-Y115 AromaticContact CD1-CE2 3.61Å; Y23-Y115 HydrophobicContact CD1-CE2 3.61Å; Y23-Y115 HydrophobicContact CD1-CG 4.22Å; Y23-Y115 AromaticContact CE1-CD2 3.67Å; Y23-Y115 HydrophobicContact CE1-CD2 3.67Å; Y23-Y115 HydrophobicContact CE1-CE2 4.22Å; Y23-Y115 HydrophobicContact CE1-CG 4.08Å; Y23-Y115 HydrophobicContact CG-CD2 4.48Å
24T92.1Very high92Very high2 Ų264.1 Ų64.11%0.01233%0.329CS..Hα-helixtrans-54.9-49.5171-57.90000110I20 V21 Q26 L27 F28 L42 I48 Y115I20-T24 WeakPolarHBondContact O-CB 3.21Å; I20-T24 PolarHBondContact O-N 3.42Å; I20-T24 PolarHBondContact O-OG1 3.19Å; V21-T24 WeakPolarHBondContact O-CB 3.45Å; V21-T24 PolarHBondContact O-N 2.98Å; T24-Q26 VanDerWaalsContact C-N 3.34Å; T24-Q26 PolarHBondContact O-N 3.16Å; T24-L27 PolarHBondContact O-N 3.22Å; T24-L27 VanDerWaalsContact O-N 3.16Å; T24-F28 HydrophobicContact CG2-CD2 3.75Å; T24-F28 HydrophobicContact CG2-CE2 3.85Å; T24-F28 VanDerWaalsContact O-CD2 3.27Å; T24-F28 WeakPolarHBondContact O-CD2 3.25Å; T24-F28 PolarHBondContact O-N 3.18Å; T24-F28 VanDerWaalsContact O-N 3.14Å; T24-L42 HydrophobicContact CG2-CD1 4.08Å; T24-I48 HydrophobicContact CG2-CD1 3.66Å; T24-I48 HydrophobicContact CG2-CG1 4.41Å; T24-Y115 WeakPolarHBondContact CB-OH 3.37Å; T24-Y115 WeakPolarHBondContact CG2-OH 3.15Å; T24-Y115 PolarHBondContact OG1-OH 3.48Å
25Y90.1Very high91.4Very high9 Ų967 Ų674%0.03534%0.341CS..Hα-helixtrans-56.6-49.1179.6-172.7-87.7000111.5V21 F22 Y23 L27 F28 H29 P33 F34 H35 D38V21-Y25 PolarHBondContact O-N 3.39Å; F22-Y25 WeakPolarHBondContact O-CB 3.46Å; F22-Y25 PolarHBondContact O-N 3.19Å; Y23-Y25 VanDerWaalsContact C-N 3.3Å; Y23-Y25 PolarHBondContact O-N 3.33Å; Y25-L27 VanDerWaalsContact C-N 3.31Å; Y25-L27 PolarHBondContact O-N 3.16Å; Y25-F28 PolarHBondContact O-N 2.77Å; Y25-H29 HydrophobicContact CD1-CB 4.37Å; Y25-H29 AromaticContact CD2-ND1 3.98Å; Y25-H29 HydrophobicContact CE1-CB 3.92Å; Y25-H29 AromaticContact CE2-ND1 3.95Å; Y25-H29 PolarHBondContact O-N 2.74Å; Y25-H29 PolarHBondContact O-ND1 2.87Å; Y25-P33 PolarHBondContact OH-O 3.36Å; Y25-F34 HydrophobicContact CD1-CD2 4.38Å; Y25-F34 AromaticContact CD2-CD2 3.8Å; Y25-F34 HydrophobicContact CD2-CD2 3.8Å; Y25-F34 AromaticContact CD2-CE2 3.99Å; Y25-F34 HydrophobicContact CD2-CE2 3.99Å; Y25-F34 HydrophobicContact CE1-CD2 4.35Å; Y25-F34 AromaticContact CE2-CD2 3.73Å; Y25-F34 HydrophobicContact CE2-CD2 3.73Å; Y25-F34 HydrophobicContact CE2-CE2 4.14Å; Y25-F34 HydrophobicContact CG-CD2 4.12Å; Y25-F34 VanDerWaalsContact OH-CA 3.32Å; Y25-F34 WeakPolarHBondContact OH-CA 3.32Å; Y25-H35 PolarHBondContact OH-N 3.35Å; Y25-D38 HydrophobicContact CE2-CB 3.86Å; Y25-D38 PolarHBondContact OH-OD2 3.12Å
26Q90.2Very high90.7Very high72 Ų7270.2 Ų70.234%0.33635%0.345SS..Hα-helixtrans-62.3-35.4177.7-69.3-172-44.200113.2F22 Y23 T24 F28 G30F22-Q26 HydrophobicContact CE1-CG 4.1Å; F22-Q26 HydrophobicContact CE2-CG 4.44Å; F22-Q26 VanDerWaalsContact CZ-CD 3.44Å; F22-Q26 HydrophobicContact CZ-CG 4.06Å; F22-Q26 PolarHBondContact O-N 2.8Å; Y23-Q26 PolarHBondContact O-N 3.24Å; T24-Q26 VanDerWaalsContact C-N 3.34Å; T24-Q26 PolarHBondContact O-N 3.16Å; Q26-F28 VanDerWaalsContact C-N 3.32Å; Q26-F28 PolarHBondContact O-N 3Å; Q26-G30 WeakPolarHBondContact CA-O 3.22Å; Q26-G30 WeakPolarHBondContact O-CA 3.46Å; Q26-G30 PolarHBondContact O-N 3.05Å
27L89.3Confident90.2Very high52 Ų5275.4 Ų75.427%0.27237%0.368SS..Hα-helixtrans-66.8-35.1178.8-17166.3000112.1Y23 T24 Y25 V111 Y115Y23-L27 WeakPolarHBondContact O-CB 3.26Å; Y23-L27 PolarHBondContact O-N 3.14Å; T24-L27 PolarHBondContact O-N 3.22Å; T24-L27 VanDerWaalsContact O-N 3.16Å; Y25-L27 VanDerWaalsContact C-N 3.31Å; Y25-L27 PolarHBondContact O-N 3.16Å; L27-V111 HydrophobicContact CD2-CG2 4.06Å; L27-Y115 HydrophobicContact CD2-CD1 4.45Å; L27-Y115 HydrophobicContact CD2-CE1 4.12Å
28F86.1Confident89.7Confident96 Ų9677.4 Ų77.442%0.42138%0.379SS..Hα-helixtrans-93.8-29.5-177.6-75.7-76.8000114.3T24 Y25 Q26 L42T24-F28 HydrophobicContact CG2-CD2 3.75Å; T24-F28 HydrophobicContact CG2-CE2 3.85Å; T24-F28 VanDerWaalsContact O-CD2 3.27Å; T24-F28 WeakPolarHBondContact O-CD2 3.25Å; T24-F28 PolarHBondContact O-N 3.18Å; T24-F28 VanDerWaalsContact O-N 3.14Å; Y25-F28 PolarHBondContact O-N 2.77Å; Q26-F28 VanDerWaalsContact C-N 3.32Å; Q26-F28 PolarHBondContact O-N 3Å; F28-L42 HydrophobicContact CB-CD2 4.45Å; F28-L42 HydrophobicContact CD2-CD2 3.94Å; F28-L42 HydrophobicContact CE2-CD2 4.38Å; F28-L42 HydrophobicContact CG-CD2 4.11Å
29H87.5Confident89.1Confident41 Ų4174.9 Ų74.919%0.1937%0.366CS..Hα-helixtrans-120.65.5-174.7-55.884.5000113Y25 N31 D32 D38Y25-H29 HydrophobicContact CD1-CB 4.37Å; Y25-H29 AromaticContact CD2-ND1 3.98Å; Y25-H29 HydrophobicContact CE1-CB 3.92Å; Y25-H29 AromaticContact CE2-ND1 3.95Å; Y25-H29 PolarHBondContact O-N 2.74Å; Y25-H29 PolarHBondContact O-ND1 2.87Å; H29-N31 PolarHBondContact O-N 2.86Å; H29-D32 HydrophobicContact CB-CB 4.38Å; H29-D32 VanDerWaalsContact O-CB 3.29Å; H29-D32 WeakPolarHBondContact O-CB 3.18Å; H29-D32 VanDerWaalsContact O-CG 3.29Å; H29-D32 PolarHBondContact O-N 2.85Å; H29-D32 VanDerWaalsContact O-N 3.11Å; H29-D38 IonicContact CD2-OD2 3.69Å
30G86.9Confident88.5Confident37 Ų3771.1 Ų71.138%0.38136%0.359SS..THydrogen-bonded Turntrans59.4-128.3-179.500000112.5Q26Q26-G30 WeakPolarHBondContact CA-O 3.22Å; Q26-G30 WeakPolarHBondContact O-CA 3.46Å; Q26-G30 PolarHBondContact O-N 3.05Å
31N85.8Confident88Confident156 Ų15675.7 Ų75.783%0.83438%0.378SS*.THydrogen-bonded Turntrans-97.413178.9-66.9-38000112.9H29H29-N31 PolarHBondContact O-N 2.86Å
32D86.9Confident87.8Confident105 Ų10574.8 Ų74.856%0.56137%0.373SS*.PPolyproline II helixtrans-61145.3178.1-69.4-16.2000110.4H29H29-D32 HydrophobicContact CB-CB 4.38Å; H29-D32 VanDerWaalsContact O-CB 3.29Å; H29-D32 WeakPolarHBondContact O-CB 3.18Å; H29-D32 VanDerWaalsContact O-CG 3.29Å; H29-D32 PolarHBondContact O-N 2.85Å; H29-D32 VanDerWaalsContact O-N 3.11Å
33P87.4Confident87.7Confident90 Ų9072.1 Ų72.158%0.58436%0.363SS*.PPolyproline II helixtrans-54.5144.6177.3-24.233.7000111.4Y25 H35Y25-P33 PolarHBondContact OH-O 3.36Å; P33-H35 PolarHBondContact O-CD2 3.48Å; P33-H35 PolarHBondContact O-N 3.31Å; P33-H35 PolarHBondContact O-NE2 3.39Å
34F85.3Confident87.7Confident120 Ų12071.6 Ų71.653%0.52636%0.361SS..PPolyproline II helixtrans-63.9120.9179.5178.7-95.2000111.6Y25 L39Y25-F34 HydrophobicContact CD1-CD2 4.38Å; Y25-F34 AromaticContact CD2-CD2 3.8Å; Y25-F34 HydrophobicContact CD2-CD2 3.8Å; Y25-F34 AromaticContact CD2-CE2 3.99Å; Y25-F34 HydrophobicContact CD2-CE2 3.99Å; Y25-F34 HydrophobicContact CE1-CD2 4.35Å; Y25-F34 AromaticContact CE2-CD2 3.73Å; Y25-F34 HydrophobicContact CE2-CD2 3.73Å; Y25-F34 HydrophobicContact CE2-CE2 4.14Å; Y25-F34 HydrophobicContact CG-CD2 4.12Å; Y25-F34 VanDerWaalsContact OH-CA 3.32Å; Y25-F34 WeakPolarHBondContact OH-CA 3.32Å; F34-L39 HydrophobicContact CE2-CB 4.17Å; F34-L39 HydrophobicContact CE2-CD2 4.35Å; F34-L39 HydrophobicContact CZ-CB 4.08Å; F34-L39 HydrophobicContact CZ-CD2 3.9Å
35H87.1Confident87.8Confident99 Ų9973.1 Ų73.146%0.45837%0.367SS..  trans-117.1129.5170.6-59.5-64.3000111.4Y25 P33 K37 D38 L39Y25-H35 PolarHBondContact OH-N 3.35Å; P33-H35 PolarHBondContact O-CD2 3.48Å; P33-H35 PolarHBondContact O-N 3.31Å; P33-H35 PolarHBondContact O-NE2 3.39Å; H35-K37 PolarHBondContact O-N 3.26Å; H35-D38 HydrophobicContact CB-CB 4.5Å; H35-D38 WeakPolarHBondContact CB-OD2 3.36Å; H35-D38 IonicContact CD2-OD2 3.97Å; H35-D38 IonicContact CG-OD2 2.73Å; H35-D38 WeakPolarHBondContact O-CB 3.1Å; H35-D38 PolarHBondContact O-N 2.88Å; H35-D38 VanDerWaalsContact O-N 3.1Å; H35-L39 PolarHBondContact O-N 3.3Å
36F84.5Confident88.1Confident154 Ų15474 Ų7468%0.67537%0.372SS*.Hα-helixtrans-59.6-31.3179.1-177.5-98.5000113D38 L39 A40F36-D38 VanDerWaalsContact C-N 3.28Å; F36-D38 PolarHBondContact O-N 3.46Å; F36-L39 PolarHBondContact O-N 2.89Å; F36-A40 WeakPolarHBondContact O-CB 3.45Å; F36-A40 PolarHBondContact O-N 3.26Å
37K87.9Confident88.4Confident173 Ų17371.3 Ų71.375%0.75236%0.361SS*.Hα-helixtrans-62-38.4178.2-56.2-177.4-175.5179.30111.5H35 A40 F41H35-K37 PolarHBondContact O-N 3.26Å; K37-A40 PolarHBondContact O-N 3.11Å; K37-F41 WeakPolarHBondContact O-CB 3.49Å; K37-F41 PolarHBondContact O-N 3.45Å
38D87.6Confident88.6Confident45 Ų4569.2 Ų69.224%0.24135%0.35CS..Hα-helixtrans-72-40.2-179.3-61.5-11.4000110.3Y25 H29 H35 F36 F41 L42Y25-D38 HydrophobicContact CE2-CB 3.86Å; Y25-D38 PolarHBondContact OH-OD2 3.12Å; H29-D38 IonicContact CD2-OD2 3.69Å; H35-D38 HydrophobicContact CB-CB 4.5Å; H35-D38 WeakPolarHBondContact CB-OD2 3.36Å; H35-D38 IonicContact CD2-OD2 3.97Å; H35-D38 IonicContact CG-OD2 2.73Å; H35-D38 WeakPolarHBondContact O-CB 3.1Å; H35-D38 PolarHBondContact O-N 2.88Å; H35-D38 VanDerWaalsContact O-N 3.1Å; F36-D38 VanDerWaalsContact C-N 3.28Å; F36-D38 PolarHBondContact O-N 3.46Å; D38-F41 WeakPolarHBondContact O-CB 3.33Å; D38-F41 PolarHBondContact O-N 3.02Å; D38-L42 WeakPolarHBondContact O-CG 3.47Å; D38-L42 PolarHBondContact O-N 3.23Å
39L83.6Confident89.1Confident32 Ų3266.6 Ų66.617%0.16834%0.34CS..Hα-helixtrans-61.2-44.9170.3-179.463.8000111.7V21 F34 H35 F36 F41 L42 L43V21-L39 HydrophobicContact CG1-CD1 3.8Å; F34-L39 HydrophobicContact CE2-CB 4.17Å; F34-L39 HydrophobicContact CE2-CD2 4.35Å; F34-L39 HydrophobicContact CZ-CB 4.08Å; F34-L39 HydrophobicContact CZ-CD2 3.9Å; H35-L39 PolarHBondContact O-N 3.3Å; F36-L39 PolarHBondContact O-N 2.89Å; L39-F41 VanDerWaalsContact C-N 3.25Å; L39-F41 PolarHBondContact O-N 2.85Å; L39-L42 WeakPolarHBondContact O-CB 3.45Å; L39-L42 PolarHBondContact O-N 3.47Å; L39-L42 VanDerWaalsContact O-N 3.11Å; L39-L43 PolarHBondContact O-N 3.38Å
40A84.7Confident89.6Confident36 Ų3664.8 Ų64.830%0.29833%0.332SS..Hα-helixtrans-61.8-36.8177.600000111.5F36 K37 L43F36-A40 WeakPolarHBondContact O-CB 3.45Å; F36-A40 PolarHBondContact O-N 3.26Å; K37-A40 PolarHBondContact O-N 3.11Å; A40-L43 WeakPolarHBondContact O-CB 3.47Å; A40-L43 PolarHBondContact O-N 2.93Å
41F86.1Confident90.2Very high95 Ų9563.1 Ų63.142%0.41732%0.315SS..Hα-helixtrans-64.1-39.8173.3-175.3-107.3000112.1K37 D38 L39 L43 R44 F168K37-F41 WeakPolarHBondContact O-CB 3.49Å; K37-F41 PolarHBondContact O-N 3.45Å; D38-F41 WeakPolarHBondContact O-CB 3.33Å; D38-F41 PolarHBondContact O-N 3.02Å; L39-F41 VanDerWaalsContact C-N 3.25Å; L39-F41 PolarHBondContact O-N 2.85Å; F41-L43 PolarHBondContact O-N 3.38Å; F41-R44 VanDerWaalsContact O-CB 3.29Å; F41-R44 WeakPolarHBondContact O-CB 3.34Å; F41-R44 WeakPolarHBondContact O-CD 3.44Å; F41-R44 WeakPolarHBondContact O-CG 3.5Å; F41-R44 PolarHBondContact O-N 3.38Å; F41-R44 VanDerWaalsContact O-N 3.12Å; F41-F168 HydrophobicContact CE1-CZ 4.38Å; F41-F168 AromaticContact CE2-CE1 3.8Å; F41-F168 HydrophobicContact CE2-CE1 3.8Å; F41-F168 AromaticContact CE2-CZ 3.87Å; F41-F168 HydrophobicContact CE2-CZ 3.87Å; F41-F168 AromaticContact CZ-CE1 3.78Å; F41-F168 HydrophobicContact CZ-CE1 3.78Å; F41-F168 HydrophobicContact CZ-CE2 4.19Å; F41-F168 AromaticContact CZ-CZ 3.38Å; F41-F168 HydrophobicContact CZ-CZ 3.38Å
42L90.1Very high90.6Very high4 Ų457.6 Ų57.62%0.02129%0.288CS..Hα-helixtrans-63.8-22.9175.6-68173000113.5T24 F28 D38 L39 R44 F45 I48T24-L42 HydrophobicContact CG2-CD1 4.08Å; F28-L42 HydrophobicContact CB-CD2 4.45Å; F28-L42 HydrophobicContact CD2-CD2 3.94Å; F28-L42 HydrophobicContact CE2-CD2 4.38Å; F28-L42 HydrophobicContact CG-CD2 4.11Å; D38-L42 WeakPolarHBondContact O-CG 3.47Å; D38-L42 PolarHBondContact O-N 3.23Å; L39-L42 WeakPolarHBondContact O-CB 3.45Å; L39-L42 PolarHBondContact O-N 3.47Å; L39-L42 VanDerWaalsContact O-N 3.11Å; L42-R44 PolarHBondContact O-N 2.86Å; L42-R44 VanDerWaalsContact O-N 3.1Å; L42-F45 HydrophobicContact CD2-CD2 4.45Å; L42-F45 HydrophobicContact CD2-CE2 4.3Å; L42-F45 PolarHBondContact O-N 3.06Å; L42-I48 HydrophobicContact CB-CG2 4.22Å
43L90.5Very high91.2Very high51 Ų5153.7 Ų53.727%0.26727%0.267SS..THydrogen-bonded Turntrans-65.5-8.3173.9-63175.5000113.5L39 A40 F41 F45 I48 L49L39-L43 PolarHBondContact O-N 3.38Å; A40-L43 WeakPolarHBondContact O-CB 3.47Å; A40-L43 PolarHBondContact O-N 2.93Å; F41-L43 PolarHBondContact O-N 3.38Å; L43-F45 PolarHBondContact O-N 3.43Å; L43-I48 HydrophobicContact CD2-CG2 4.19Å; L43-L49 HydrophobicContact CD2-CD1 4.17Å
44R92.9Very high91.7Very high35 Ų3549.4 Ų49.413%0.13224%0.239CC..THydrogen-bonded Turntrans-57.8-25.2166.375.5-176.7175112.8-8.1113F41 L42 Y155 Y158 L162 F168 P170F41-R44 VanDerWaalsContact O-CB 3.29Å; F41-R44 WeakPolarHBondContact O-CB 3.34Å; F41-R44 WeakPolarHBondContact O-CD 3.44Å; F41-R44 WeakPolarHBondContact O-CG 3.5Å; F41-R44 PolarHBondContact O-N 3.38Å; F41-R44 VanDerWaalsContact O-N 3.12Å; L42-R44 PolarHBondContact O-N 2.86Å; L42-R44 VanDerWaalsContact O-N 3.1Å; R44-Y155 PolarHBondContact O-OH 3.46Å; R44-Y158 HydrophobicContact CB-CE1 4.34Å; R44-L162 HydrophobicContact CB-CD1 4.07Å; R44-F168 VanDerWaalsContact CD-CE1 3.48Å; R44-P170 HydrophobicContact CB-CB 4.44Å; R44-P170 PolarHBondContact NH1-O 2.9Å
45F94Very high92.3Very high33 Ų3345.6 Ų45.615%0.14522%0.224CC..SBendtrans-91.1121.2176.7-60.8-62.5000109.5L42 L43 T47 I48 L49 P170 Y171L42-F45 HydrophobicContact CD2-CD2 4.45Å; L42-F45 HydrophobicContact CD2-CE2 4.3Å; L42-F45 PolarHBondContact O-N 3.06Å; L43-F45 PolarHBondContact O-N 3.43Å; F45-T47 PolarHBondContact O-N 3Å; F45-T47 VanDerWaalsContact O-N 3.09Å; F45-I48 HydrophobicContact CB-CB 4.48Å; F45-I48 HydrophobicContact CB-CG1 4.05Å; F45-I48 HydrophobicContact CD2-CG1 4.46Å; F45-I48 PolarHBondContact O-N 3.44Å; F45-L49 PolarHBondContact O-N 3.45Å; F45-L49 VanDerWaalsContact O-N 3.08Å; F45-P170 WeakPolarHBondContact CE1-O 3.1Å; F45-Y171 WeakPolarHBondContact CA-OH 3.22Å; F45-Y171 HydrophobicContact CD1-CD1 4.35Å; F45-Y171 AromaticContact CD1-CE1 3.7Å; F45-Y171 HydrophobicContact CD1-CE1 3.7Å; F45-Y171 AromaticContact CD1-CZ 3.97Å; F45-Y171 HydrophobicContact CE1-CE1 4.28Å
46L95.8Very high92.8Very high27 Ų2743 Ų4314%0.14122%0.22CC..Hα-helixtrans-54-32.9177.5-174.457.1000112.4L49 T50 V87 Y151 F152 Y155 Y171L46-L49 HydrophobicContact CD1-CD2 4.28Å; L46-L49 PolarHBondContact O-N 2.85Å; L46-T50 VanDerWaalsContact O-CB 3.27Å; L46-T50 WeakPolarHBondContact O-CB 3.49Å; L46-T50 PolarHBondContact O-N 3.14Å; L46-T50 PolarHBondContact O-OG1 3.5Å; L46-V87 HydrophobicContact CD2-CG2 4.08Å; L46-V87 HydrophobicContact CG-CG2 3.87Å; L46-Y151 HydrophobicContact CD1-CE1 4.13Å; L46-F152 HydrophobicContact CD1-CE1 4.46Å; L46-F152 HydrophobicContact CD2-CE1 4.47Å; L46-Y155 HydrophobicContact CB-CE1 3.84Å; L46-Y155 HydrophobicContact CB-CE2 4.14Å; L46-Y155 HydrophobicContact CD1-CD1 3.95Å; L46-Y155 HydrophobicContact CD1-CD2 4.25Å; L46-Y155 HydrophobicContact CD1-CE1 4.1Å; L46-Y155 HydrophobicContact CD1-CE2 4.37Å; L46-Y155 HydrophobicContact CD1-CG 4.03Å; L46-Y155 HydrophobicContact CD2-CE1 4.3Å; L46-Y155 HydrophobicContact CG-CE1 4.3Å; L46-Y155 PolarHBondContact N-OH 2.97Å; L46-Y155 VanDerWaalsContact N-OH 3.13Å; L46-Y171 PolarHBondContact N-OH 3.19Å
47T96.2Very high93.5Very high17 Ų1735.9 Ų35.910%0.10419%0.188CC..Hα-helixtrans-60.5-48.4175-54.90000111.7F45 T50 I51 V87 C119 H120F45-T47 PolarHBondContact O-N 3Å; F45-T47 VanDerWaalsContact O-N 3.09Å; T47-T50 PolarHBondContact O-N 3.05Å; T47-I51 HydrophobicContact CG2-CD1 4.08Å; T47-I51 WeakPolarHBondContact O-CG1 3.36Å; T47-I51 PolarHBondContact O-N 3.17Å; T47-V87 HydrophobicContact CG2-CG1 4.29Å; T47-C119 HydrophobicContact CG2-CB 3.76Å; T47-H120 VanDerWaalsContact CG2-NE2 3.29Å; T47-H120 WeakPolarHBondContact CG2-NE2 3.44Å; T47-H120 PolarHBondContact OG1-CD2 3.39Å; T47-H120 PolarHBondContact OG1-NE2 3.47Å
48I94.9Very high94Very high8 Ų827.8 Ų27.84%0.04115%0.153CC..Hα-helixtrans-67.9-41.5-179.4-56.1-51.5000110.2T24 L42 L43 F45 T50 I51 S52T24-I48 HydrophobicContact CG2-CD1 3.66Å; T24-I48 HydrophobicContact CG2-CG1 4.41Å; L42-I48 HydrophobicContact CB-CG2 4.22Å; L43-I48 HydrophobicContact CD2-CG2 4.19Å; F45-I48 HydrophobicContact CB-CB 4.48Å; F45-I48 HydrophobicContact CB-CG1 4.05Å; F45-I48 HydrophobicContact CD2-CG1 4.46Å; F45-I48 PolarHBondContact O-N 3.44Å; I48-T50 PolarHBondContact O-N 3.49Å; I48-I51 HydrophobicContact CD1-CD1 4.18Å; I48-I51 PolarHBondContact O-N 2.95Å; I48-S52 PolarHBondContact O-N 2.99Å; I48-S52 PolarHBondContact O-OG 3.31Å; I48-S52 VanDerWaalsContact O-OG 3.12Å
49L96.3Very high94.5Very high40 Ų4027.9 Ų27.921%0.20916%0.16CC..Hα-helixtrans-57.3-39.7172.6-174.564.4000111.8L43 F45 L46 S52 L53 Y151 Y155L43-L49 HydrophobicContact CD2-CD1 4.17Å; F45-L49 PolarHBondContact O-N 3.45Å; F45-L49 VanDerWaalsContact O-N 3.08Å; L46-L49 HydrophobicContact CD1-CD2 4.28Å; L46-L49 PolarHBondContact O-N 2.85Å; L49-S52 WeakPolarHBondContact O-CB 3.44Å; L49-S52 PolarHBondContact O-N 3.12Å; L49-L53 PolarHBondContact O-N 3.49Å; L49-Y151 VanDerWaalsContact C-OH 3.29Å; L49-Y151 HydrophobicContact CD1-CE2 4.43Å; L49-Y151 HydrophobicContact CD2-CE2 3.96Å; L49-Y151 HydrophobicContact CG-CE2 3.77Å; L49-Y151 PolarHBondContact O-OH 3.48Å; L49-Y155 HydrophobicContact CD2-CD2 3.67Å; L49-Y155 HydrophobicContact CD2-CE2 4.44Å; L49-Y155 HydrophobicContact CD2-CG 4.24Å
50T98.2Very high95.2Very high3 Ų330.2 Ų30.22%0.01817%0.172CC..Hα-helixtrans-70.9-36.4178.3-59.10000112L46 T47 I48 L53 Q54 A83 V87 Y151L46-T50 VanDerWaalsContact O-CB 3.27Å; L46-T50 WeakPolarHBondContact O-CB 3.49Å; L46-T50 PolarHBondContact O-N 3.14Å; L46-T50 PolarHBondContact O-OG1 3.5Å; T47-T50 PolarHBondContact O-N 3.05Å; I48-T50 PolarHBondContact O-N 3.49Å; T50-L53 WeakPolarHBondContact O-CB 3.45Å; T50-L53 PolarHBondContact O-N 2.98Å; T50-Q54 WeakPolarHBondContact O-CG 3.43Å; T50-Q54 PolarHBondContact O-N 3.43Å; T50-A83 HydrophobicContact CG2-CB 3.81Å; T50-V87 HydrophobicContact CG2-CG2 4.3Å; T50-V87 WeakPolarHBondContact OG1-CG2 3.32Å; T50-Y151 WeakPolarHBondContact CA-OH 3.27Å; T50-Y151 PolarHBondContact N-OH 3.41Å; T50-Y151 VanDerWaalsContact N-OH 3.14Å; T50-Y151 PolarHBondContact OG1-OH 3.48Å
51I97.8Very high95.8Very high3 Ų328.5 Ų28.52%0.01516%0.158CC..Hα-helixtrans-65.6-40.6171.9-65.7162.4000110.4F17 I20 V21 T47 I48 L53 Q54 I55 C119F17-I51 HydrophobicContact CB-CG2 4.18Å; F17-I51 HydrophobicContact CD1-CG2 4.2Å; I20-I51 HydrophobicContact CG2-CD1 3.89Å; V21-I51 HydrophobicContact CG2-CG2 3.57Å; T47-I51 HydrophobicContact CG2-CD1 4.08Å; T47-I51 WeakPolarHBondContact O-CG1 3.36Å; T47-I51 PolarHBondContact O-N 3.17Å; I48-I51 HydrophobicContact CD1-CD1 4.18Å; I48-I51 PolarHBondContact O-N 2.95Å; I51-L53 VanDerWaalsContact C-N 3.3Å; I51-L53 PolarHBondContact O-N 3.26Å; I51-Q54 WeakPolarHBondContact O-CB 3.42Å; I51-Q54 PolarHBondContact O-N 3.45Å; I51-Q54 VanDerWaalsContact O-N 3.1Å; I51-I55 HydrophobicContact CG2-CD1 4.46Å; I51-I55 WeakPolarHBondContact O-CG1 3.39Å; I51-I55 PolarHBondContact O-N 3.03Å; I51-C119 HydrophobicContact CD1-CB 4.08Å
52S96.1Very high96.3Very high40 Ų4026 Ų2628%0.2815%0.151SC..Hα-helixtrans-61.3-39.6173-570000111.9I48 L49 Q54 I55 A56I48-S52 PolarHBondContact O-N 2.99Å; I48-S52 PolarHBondContact O-OG 3.31Å; I48-S52 VanDerWaalsContact O-OG 3.12Å; L49-S52 WeakPolarHBondContact O-CB 3.44Å; L49-S52 PolarHBondContact O-N 3.12Å; S52-Q54 VanDerWaalsContact C-N 3.34Å; S52-I55 PolarHBondContact O-N 2.9Å; S52-A56 PolarHBondContact O-N 3.43Å
53L97.6Very high96.7Very high22 Ų2228.5 Ų28.512%0.11517%0.167CC..Hα-helixtrans-62.4-38.9172174.365.6000112L49 T50 I51 A56 Y57 L79 A80 A83 Y151L49-L53 PolarHBondContact O-N 3.49Å; T50-L53 WeakPolarHBondContact O-CB 3.45Å; T50-L53 PolarHBondContact O-N 2.98Å; I51-L53 VanDerWaalsContact C-N 3.3Å; I51-L53 PolarHBondContact O-N 3.26Å; L53-A56 PolarHBondContact O-N 3.04Å; L53-Y57 WeakPolarHBondContact O-CB 3.43Å; L53-Y57 PolarHBondContact O-N 3.49Å; L53-L79 HydrophobicContact CD1-CD2 3.81Å; L53-L79 HydrophobicContact CD1-CG 4.33Å; L53-L79 HydrophobicContact CD2-CD1 4.5Å; L53-L79 HydrophobicContact CD2-CD2 4.18Å; L53-L79 HydrophobicContact CD2-CG 3.91Å; L53-A80 HydrophobicContact CD2-CB 4.32Å; L53-A80 HydrophobicContact CG-CB 4.31Å; L53-A83 HydrophobicContact CD2-CB 3.75Å; L53-Y151 HydrophobicContact CB-CE2 4.13Å; L53-Y151 HydrophobicContact CD2-CD2 4.34Å; L53-Y151 HydrophobicContact CD2-CE1 4.38Å; L53-Y151 HydrophobicContact CD2-CE2 3.83Å; L53-Y151 HydrophobicContact CG-CE2 4.44Å
54Q98.3Very high97Very high0 Ų027.1 Ų27.10%016%0.16CC..Hα-helixtrans-61.6-45.7173.9-68.6-74.386.100111.4F17 T50 I51 S52 A56 Y57 Y58 N84F17-Q54 HydrophobicContact CD1-CB 4.41Å; F17-Q54 HydrophobicContact CD2-CB 3.88Å; F17-Q54 HydrophobicContact CE2-CB 4.21Å; F17-Q54 HydrophobicContact CE2-CG 4.47Å; F17-Q54 HydrophobicContact CG-CB 4.03Å; F17-Q54 HydrophobicContact CZ-CG 4.48Å; T50-Q54 WeakPolarHBondContact O-CG 3.43Å; T50-Q54 PolarHBondContact O-N 3.43Å; I51-Q54 WeakPolarHBondContact O-CB 3.42Å; I51-Q54 PolarHBondContact O-N 3.45Å; I51-Q54 VanDerWaalsContact O-N 3.1Å; S52-Q54 VanDerWaalsContact C-N 3.34Å; Q54-A56 VanDerWaalsContact C-N 3.34Å; Q54-A56 PolarHBondContact O-N 3.13Å; Q54-Y57 PolarHBondContact O-N 3.47Å; Q54-Y58 HydrophobicContact CB-CD2 4.37Å; Q54-Y58 HydrophobicContact CB-CE2 4.4Å; Q54-Y58 WeakPolarHBondContact O-CD2 3.4Å; Q54-Y58 PolarHBondContact O-N 2.97Å; Q54-N84 PolarHBondContact NE2-ND2 2.82Å; Q54-N84 PolarHBondContact NE2-OD1 3.25Å; Q54-N84 PolarHBondContact OE1-ND2 3.45Å
55I98.2Very high97.1Very high41 Ų4127.1 Ų27.121%0.2116%0.161CC..Hα-helixtrans-57.9-49.1176.2-67.2170000110L14 F17 I18 V21 I51 S52 Y57 Y58 A59L14-I55 HydrophobicContact CD1-CB 4.37Å; L14-I55 HydrophobicContact CD1-CG2 3.83Å; L14-I55 WeakPolarHBondContact CD1-O 3.18Å; F17-I55 HydrophobicContact CB-CD1 4.45Å; F17-I55 HydrophobicContact CB-CG1 3.75Å; I18-I55 HydrophobicContact CG1-CD1 4.05Å; I18-I55 HydrophobicContact CG1-CG1 4.18Å; I18-I55 HydrophobicContact CG1-CG2 4.21Å; V21-I55 HydrophobicContact CG2-CD1 3.67Å; I51-I55 HydrophobicContact CG2-CD1 4.46Å; I51-I55 WeakPolarHBondContact O-CG1 3.39Å; I51-I55 PolarHBondContact O-N 3.03Å; S52-I55 PolarHBondContact O-N 2.9Å; I55-Y57 PolarHBondContact O-N 2.87Å; I55-Y58 PolarHBondContact O-N 3.15Å; I55-A59 WeakPolarHBondContact O-CB 3.48Å; I55-A59 PolarHBondContact O-N 3.45Å
56A97.9Very high97.2Very high45 Ų4534.2 Ų34.237%0.37219%0.189SC..Hα-helixtrans-60.5-44.2177.300000112.1S52 L53 Q54 L60S52-A56 PolarHBondContact O-N 3.43Å; L53-A56 PolarHBondContact O-N 3.04Å; Q54-A56 VanDerWaalsContact C-N 3.34Å; Q54-A56 PolarHBondContact O-N 3.13Å; A56-L60 WeakPolarHBondContact O-CB 3.44Å; A56-L60 VanDerWaalsContact O-CG 3.22Å; A56-L60 WeakPolarHBondContact O-CG 3.29Å; A56-L60 PolarHBondContact O-N 2.72Å
57Y98.4Very high97.3Very high3 Ų339.4 Ų39.41%0.01221%0.21CC..Hα-helixtrans-58.7-54177174.4-96.3000111.6L53 Q54 I55 A59 L60 A61 H73 L76 Y77 A80 I127 D130L53-Y57 WeakPolarHBondContact O-CB 3.43Å; L53-Y57 PolarHBondContact O-N 3.49Å; Q54-Y57 PolarHBondContact O-N 3.47Å; I55-Y57 PolarHBondContact O-N 2.87Å; Y57-A59 PolarHBondContact O-N 3.3Å; Y57-L60 PolarHBondContact O-N 3.26Å; Y57-A61 HydrophobicContact CE1-CB 4.39Å; Y57-A61 VanDerWaalsContact O-CB 3.29Å; Y57-A61 WeakPolarHBondContact O-CB 3.32Å; Y57-A61 PolarHBondContact O-N 2.9Å; Y57-H73 AromaticContact CE2-CD2 3.83Å; Y57-H73 AromaticContact CE2-NE2 3.96Å; Y57-H73 AromaticContact CZ-NE2 3.75Å; Y57-H73 PolarHBondContact OH-NE2 3.49Å; Y57-H73 VanDerWaalsContact OH-NE2 3.15Å; Y57-L76 HydrophobicContact CD2-CB 4Å; Y57-L76 HydrophobicContact CE2-CB 4.39Å; Y57-Y77 VanDerWaalsContact CE2-CA 3.47Å; Y57-A80 HydrophobicContact CD2-CB 4.24Å; Y57-A80 HydrophobicContact CG-CB 4.24Å; Y57-I127 HydrophobicContact CD1-CD1 4.29Å; Y57-I127 HydrophobicContact CE1-CD1 4.17Å; Y57-I127 HydrophobicContact CE1-CG1 4.31Å; Y57-D130 WeakPolarHBondContact CE1-OD2 3.42Å; Y57-D130 PolarHBondContact OH-OD2 2.85Å
58Y98.5Very high97.3Very high4 Ų446.3 Ų46.32%0.01624%0.239CC..Hα-helixtrans-69.3-32.7-176.1-73.7-64.7000112.7R10 A13 F17 Q54 I55 L60 A126 I127 D130R10-Y58 HydrophobicContact CB-CD1 4.05Å; R10-Y58 HydrophobicContact CG-CD1 3.91Å; R10-Y58 HydrophobicContact CG-CE1 4.35Å; A13-Y58 HydrophobicContact CB-CD1 3.91Å; A13-Y58 HydrophobicContact CB-CD2 3.92Å; A13-Y58 HydrophobicContact CB-CE1 3.74Å; A13-Y58 HydrophobicContact CB-CE2 3.79Å; A13-Y58 HydrophobicContact CB-CG 4Å; F17-Y58 AromaticContact CD2-CD2 3.91Å; F17-Y58 HydrophobicContact CD2-CD2 3.91Å; F17-Y58 AromaticContact CD2-CE2 3.85Å; F17-Y58 HydrophobicContact CD2-CE2 3.85Å; F17-Y58 HydrophobicContact CE2-CD2 4.09Å; F17-Y58 AromaticContact CE2-CE2 3.54Å; F17-Y58 HydrophobicContact CE2-CE2 3.54Å; Q54-Y58 HydrophobicContact CB-CD2 4.37Å; Q54-Y58 HydrophobicContact CB-CE2 4.4Å; Q54-Y58 WeakPolarHBondContact O-CD2 3.4Å; Q54-Y58 PolarHBondContact O-N 2.97Å; I55-Y58 PolarHBondContact O-N 3.15Å; Y58-L60 VanDerWaalsContact C-N 3.35Å; Y58-A126 VanDerWaalsContact OH-C 3.22Å; Y58-A126 PolarHBondContact OH-O 3.06Å; Y58-I127 PolarHBondContact OH-N 2.81Å; Y58-D130 HydrophobicContact CE1-CB 4.4Å
59A98.3Very high97.3Very high46 Ų4650 Ų5038%0.3826%0.258SS..Hα-helixtrans-64.8-37.7172.200000112.3L14 I55 Y57 P63L14-A59 HydrophobicContact CD1-CB 4.23Å; L14-A59 HydrophobicContact CD2-CB 4.36Å; I55-A59 WeakPolarHBondContact O-CB 3.48Å; I55-A59 PolarHBondContact O-N 3.45Å; Y57-A59 PolarHBondContact O-N 3.3Å; A59-P63 VanDerWaalsContact O-CD 3.27Å; A59-P63 WeakPolarHBondContact O-CD 3.33Å; A59-P63 WeakPolarHBondContact O-CG 3.27Å
60L98.2Very high97.2Very high81 Ų8151.7 Ų51.742%0.42426%0.263SS..Hα-helixtrans-89.2-25.3-177-67.1173.1000114A56 Y57 Y58 T62 P63 L64 L76A56-L60 WeakPolarHBondContact O-CB 3.44Å; A56-L60 VanDerWaalsContact O-CG 3.22Å; A56-L60 WeakPolarHBondContact O-CG 3.29Å; A56-L60 PolarHBondContact O-N 2.72Å; Y57-L60 PolarHBondContact O-N 3.26Å; Y58-L60 VanDerWaalsContact C-N 3.35Å; L60-T62 PolarHBondContact O-N 3.46Å; L60-P63 WeakPolarHBondContact O-CD 3.22Å; L60-L64 HydrophobicContact CB-CD1 3.95Å; L60-L64 HydrophobicContact CB-CG 4.35Å; L60-L64 WeakPolarHBondContact O-CB 3.38Å; L60-L64 WeakPolarHBondContact O-CG 3.43Å; L60-L64 PolarHBondContact O-N 3.05Å; L60-L76 HydrophobicContact CD1-CD1 4.19Å
61A97.9Very high97.1Very high0 Ų058.4 Ų58.40%029%0.292CS..Hα-helixtrans-57.3-46.6-171.800000113.2R10 Y57 Q65 H73R10-A61 HydrophobicContact CG-CB 4.49Å; R10-A61 PolarHBondContact NH1-O 2.83Å; Y57-A61 HydrophobicContact CE1-CB 4.39Å; Y57-A61 VanDerWaalsContact O-CB 3.29Å; Y57-A61 WeakPolarHBondContact O-CB 3.32Å; Y57-A61 PolarHBondContact O-N 2.9Å; A61-Q65 WeakPolarHBondContact O-CB 3.25Å; A61-Q65 PolarHBondContact O-N 2.93Å; A61-Q65 VanDerWaalsContact O-N 3.11Å; A61-H73 WeakPolarHBondContact CB-NE2 3.32Å
62T97.1Very high96.9Very high44 Ų4461.5 Ų61.527%0.2731%0.308SS..Hα-helixtrans-69.8-49179.3-63.60000112.5V7 R10 L60 L64 Q65 Y66V7-T62 HydrophobicContact CG2-CG2 3.94Å; R10-T62 VanDerWaalsContact CD-OG1 3.29Å; R10-T62 WeakPolarHBondContact CD-OG1 3.29Å; L60-T62 PolarHBondContact O-N 3.46Å; T62-L64 PolarHBondContact O-N 3.48Å; T62-Q65 PolarHBondContact O-N 3.35Å; T62-Y66 WeakPolarHBondContact O-CB 3.33Å; T62-Y66 PolarHBondContact O-N 3.15Å
63P97.6Very high96.9Very high56 Ų5659.6 Ų59.636%0.36430%0.295SS..Hα-helixtrans-54.7-48.3172.3-28.434.5000113.7A59 L60 Q65 Y66 F67A59-P63 VanDerWaalsContact O-CD 3.27Å; A59-P63 WeakPolarHBondContact O-CD 3.33Å; A59-P63 WeakPolarHBondContact O-CG 3.27Å; L60-P63 WeakPolarHBondContact O-CD 3.22Å; P63-Q65 VanDerWaalsContact C-N 3.27Å; P63-Q65 PolarHBondContact O-N 3.33Å; P63-Y66 WeakPolarHBondContact O-CB 3.34Å; P63-Y66 PolarHBondContact O-N 3.21Å; P63-Y66 VanDerWaalsContact O-N 3.12Å; P63-F67 HydrophobicContact CB-CD2 4.43Å; P63-F67 HydrophobicContact CB-CE2 4.43Å; P63-F67 WeakPolarHBondContact O-CD2 3.41Å; P63-F67 PolarHBondContact O-N 3.44Å
64L97.3Very high96.9Very high21 Ų2158.6 Ų58.611%0.1129%0.289CS..Hα-helixtrans-59.3-40.4179.6-70.8171.2000111.6L60 T62 K68 I69 M72 H73 L76L60-L64 HydrophobicContact CB-CD1 3.95Å; L60-L64 HydrophobicContact CB-CG 4.35Å; L60-L64 WeakPolarHBondContact O-CB 3.38Å; L60-L64 WeakPolarHBondContact O-CG 3.43Å; L60-L64 PolarHBondContact O-N 3.05Å; T62-L64 PolarHBondContact O-N 3.48Å; L64-K68 PolarHBondContact O-N 3.13Å; L64-K68 VanDerWaalsContact O-N 3.12Å; L64-I69 HydrophobicContact CD2-CB 3.91Å; L64-I69 HydrophobicContact CD2-CD1 4.21Å; L64-I69 HydrophobicContact CD2-CG2 4.11Å; L64-I69 PolarHBondContact O-N 2.9Å; L64-M72 HydrophobicContact CD1-CG 4.19Å; L64-M72 HydrophobicContact CD2-CB 4.25Å; L64-M72 HydrophobicContact CD2-CG 4.09Å; L64-H73 HydrophobicContact CB-CB 4Å; L64-H73 HydrophobicContact CD1-CB 4.03Å; L64-L76 HydrophobicContact CD1-CD1 3.74Å
65Q94.9Very high96.8Very high35 Ų3558.7 Ų58.716%0.16429%0.29CS..Hα-helixtrans-68.8-39.9176.1-177.5169.5-17.700112.3A61 T62 P63 K68 F70 W134A61-Q65 WeakPolarHBondContact O-CB 3.25Å; A61-Q65 PolarHBondContact O-N 2.93Å; A61-Q65 VanDerWaalsContact O-N 3.11Å; T62-Q65 PolarHBondContact O-N 3.35Å; P63-Q65 VanDerWaalsContact C-N 3.27Å; P63-Q65 PolarHBondContact O-N 3.33Å; Q65-K68 PolarHBondContact O-N 3.01Å; Q65-F70 HydrophobicContact CG-CE1 4.13Å; Q65-W134 VanDerWaalsContact OE1-CD1 3.25Å
66Y95.6Very high96.7Very high182 Ų18257.6 Ų57.671%0.71428%0.284SS*.Hα-helixtrans-61.7-45.7176.5178.2-98.2000111.6T62 P63 K68T62-Y66 WeakPolarHBondContact O-CB 3.33Å; T62-Y66 PolarHBondContact O-N 3.15Å; P63-Y66 WeakPolarHBondContact O-CB 3.34Å; P63-Y66 PolarHBondContact O-N 3.21Å; P63-Y66 VanDerWaalsContact O-N 3.12Å; Y66-K68 PolarHBondContact O-N 3.3Å
67F97.5Very high96.6Very high136 Ų13655.5 Ų55.560%0.59627%0.267SS*.THydrogen-bonded Turntrans-81.27.5176.3-63.4-64.6000113.9P63 I69P63-F67 HydrophobicContact CB-CD2 4.43Å; P63-F67 HydrophobicContact CB-CE2 4.43Å; P63-F67 WeakPolarHBondContact O-CD2 3.41Å; P63-F67 PolarHBondContact O-N 3.44Å; F67-I69 HydrophobicContact CB-CD1 4.03Å; F67-I69 HydrophobicContact CB-CG1 3.93Å; F67-I69 WeakPolarHBondContact O-CG1 3.4Å; F67-I69 PolarHBondContact O-N 3.4Å
68K95.7Very high96.6Very high163 Ų16355.5 Ų55.571%0.70927%0.268SS*.THydrogen-bonded Turntrans58.927.9177.7-53179.5-1771740114.5L64 Q65 Y66 F70L64-K68 PolarHBondContact O-N 3.13Å; L64-K68 VanDerWaalsContact O-N 3.12Å; Q65-K68 PolarHBondContact O-N 3.01Å; Y66-K68 PolarHBondContact O-N 3.3Å; K68-F70 HydrophobicContact CB-CD2 4.39Å; K68-F70 HydrophobicContact CB-CE2 3.73Å; K68-F70 HydrophobicContact CB-CZ 4.11Å; K68-F70 HydrophobicContact CG-CE2 4.25Å; K68-F70 HydrophobicContact CG-CZ 4.28Å; K68-F70 WeakPolarHBondContact O-CD2 3.46Å; K68-F70 PolarHBondContact O-N 2.99Å; K68-F70 VanDerWaalsContact O-N 3.07Å
69I96.3Very high96.5Very high85 Ų8555.7 Ų55.744%0.43627%0.269SS..  trans-87.757.5178.3-45.1-178.8000110L64 F67 K71 M72 H73L64-I69 HydrophobicContact CD2-CB 3.91Å; L64-I69 HydrophobicContact CD2-CD1 4.21Å; L64-I69 HydrophobicContact CD2-CG2 4.11Å; L64-I69 PolarHBondContact O-N 2.9Å; F67-I69 HydrophobicContact CB-CD1 4.03Å; F67-I69 HydrophobicContact CB-CG1 3.93Å; F67-I69 WeakPolarHBondContact O-CG1 3.4Å; F67-I69 PolarHBondContact O-N 3.4Å; I69-K71 PolarHBondContact O-N 3.08Å; I69-M72 HydrophobicContact CG2-CB 3.69Å; I69-M72 PolarHBondContact O-N 3.33Å; I69-H73 PolarHBondContact O-N 2.94Å
70F94.9Very high96.5Very high75 Ų7553.5 Ų53.533%0.32925%0.251SS..Hα-helixtrans-65-34.8-169.8-58.7-65.7000114.2Q65 K68 M72 H73 S74 T137Q65-F70 HydrophobicContact CG-CE1 4.13Å; K68-F70 HydrophobicContact CB-CD2 4.39Å; K68-F70 HydrophobicContact CB-CE2 3.73Å; K68-F70 HydrophobicContact CB-CZ 4.11Å; K68-F70 HydrophobicContact CG-CE2 4.25Å; K68-F70 HydrophobicContact CG-CZ 4.28Å; K68-F70 WeakPolarHBondContact O-CD2 3.46Å; K68-F70 PolarHBondContact O-N 2.99Å; K68-F70 VanDerWaalsContact O-N 3.07Å; F70-M72 PolarHBondContact O-N 3.24Å; F70-H73 PolarHBondContact O-N 3.09Å; F70-S74 WeakPolarHBondContact O-CB 3.44Å; F70-S74 PolarHBondContact O-N 3.24Å; F70-S74 PolarHBondContact O-OG 3.43Å; F70-S74 VanDerWaalsContact O-OG 3.05Å; F70-T137 HydrophobicContact CB-CG2 3.81Å; F70-T137 HydrophobicContact CG-CG2 4.37Å
71K94.6Very high96.5Very high144 Ų14450 Ų5063%0.62623%0.232SC*.Hα-helixtrans-63.4-42.4-179.6-66.5-176.7-179.81780112.1I69 S75 V139I69-K71 PolarHBondContact O-N 3.08Å; K71-S75 WeakPolarHBondContact O-CB 3.28Å; K71-S75 PolarHBondContact O-N 2.95Å; K71-S75 PolarHBondContact O-OG 3.01Å; K71-V139 HydrophobicContact CB-CG1 4.13Å; K71-V139 HydrophobicContact CG-CG1 4.35Å
72M94.8Very high96.6Very high69 Ų6950 Ų5034%0.3423%0.232SC..Hα-helixtrans-65.3-47176.2-176.761.9176.700110.2L64 I69 F70 S74 S75 L76 F147L64-M72 HydrophobicContact CD1-CG 4.19Å; L64-M72 HydrophobicContact CD2-CB 4.25Å; L64-M72 HydrophobicContact CD2-CG 4.09Å; I69-M72 HydrophobicContact CG2-CB 3.69Å; I69-M72 PolarHBondContact O-N 3.33Å; F70-M72 PolarHBondContact O-N 3.24Å; M72-S74 VanDerWaalsContact C-N 3.32Å; M72-S74 PolarHBondContact O-N 2.89Å; M72-S75 PolarHBondContact O-N 2.66Å; M72-S75 VanDerWaalsContact O-N 3.13Å; M72-L76 HydrophobicContact CE-CD1 4.05Å; M72-L76 HydrophobicContact CE-CD2 4.07Å; M72-L76 HydrophobicContact CE-CG 4.03Å; M72-L76 HydrophobicContact CG-CD1 4.27Å; M72-L76 WeakPolarHBondContact O-CG 3.28Å; M72-L76 PolarHBondContact O-N 3.28Å; M72-L76 HydrophobicContact SD-CG 4.46Å; M72-F147 HydrophobicContact CE-CE1 4.05Å; M72-F147 HydrophobicContact CE-CE2 4.48Å; M72-F147 HydrophobicContact CE-CZ 3.58Å; M72-F147 HydrophobicContact SD-CE2 4.02Å; M72-F147 HydrophobicContact SD-CZ 3.59Å; M72-F147 VanDerWaalsContact SD-CZ 3.59Å
73H95.7Very high96.6Very high0 Ų048 Ų480%022%0.219CC..Hα-helixtrans-57.9-44177.7-172.8-168.7000111.9R10 Y57 A61 L64 I69 F70 S75 L76 Y77 W134R10-H73 PolarHBondContact NH2-CE1 3.45Å; Y57-H73 AromaticContact CE2-CD2 3.83Å; Y57-H73 AromaticContact CE2-NE2 3.96Å; Y57-H73 AromaticContact CZ-NE2 3.75Å; Y57-H73 PolarHBondContact OH-NE2 3.49Å; Y57-H73 VanDerWaalsContact OH-NE2 3.15Å; A61-H73 WeakPolarHBondContact CB-NE2 3.32Å; L64-H73 HydrophobicContact CB-CB 4Å; L64-H73 HydrophobicContact CD1-CB 4.03Å; I69-H73 PolarHBondContact O-N 2.94Å; F70-H73 PolarHBondContact O-N 3.09Å; H73-S75 PolarHBondContact O-N 3.03Å; H73-L76 PolarHBondContact O-N 3.45Å; H73-Y77 WeakPolarHBondContact O-CB 3.49Å; H73-Y77 PolarHBondContact O-N 2.87Å; H73-W134 HydrophobicContact CB-CH2 3.93Å; H73-W134 HydrophobicContact CB-CZ2 4.02Å; H73-W134 AromaticContact CD2-CH2 3.72Å; H73-W134 AromaticContact CD2-CZ3 3.83Å; H73-W134 AromaticContact CE1-CD2 3.46Å; H73-W134 VanDerWaalsContact CE1-CD2 3.46Å; H73-W134 AromaticContact CE1-CE2 3.56Å; H73-W134 AromaticContact CE1-CE3 3.51Å; H73-W134 AromaticContact CE1-CH2 3.65Å; H73-W134 AromaticContact CE1-CZ2 3.7Å; H73-W134 AromaticContact CE1-CZ3 3.57Å; H73-W134 AromaticContact CG-CH2 3.44Å; H73-W134 VanDerWaalsContact CG-CH2 3.44Å; H73-W134 AromaticContact CG-CZ2 3.64Å; H73-W134 AromaticContact CG-CZ3 3.99Å; H73-W134 AromaticContact ND1-CD2 3.82Å; H73-W134 AromaticContact ND1-CE2 3.39Å; H73-W134 AromaticContact ND1-CH2 3.43Å; H73-W134 WeakPolarHBondContact ND1-CH2 3.1Å; H73-W134 AromaticContact ND1-CZ2 3.22Å; H73-W134 WeakPolarHBondContact ND1-CZ2 3.47Å; H73-W134 AromaticContact ND1-CZ3 3.87Å; H73-W134 AromaticContact ND1-NE1 3.93Å; H73-W134 AromaticContact NE2-CE3 3.78Å; H73-W134 AromaticContact NE2-CH2 3.82Å; H73-W134 AromaticContact NE2-CZ3 3.54Å
74S96.4Very high96.7Very high0 Ų045.8 Ų45.80%021%0.205CC..Hα-helixtrans-68-34.6177.4-600000112.8F70 M72 Y77 S78 W134 T137F70-S74 WeakPolarHBondContact O-CB 3.44Å; F70-S74 PolarHBondContact O-N 3.24Å; F70-S74 PolarHBondContact O-OG 3.43Å; F70-S74 VanDerWaalsContact O-OG 3.05Å; M72-S74 VanDerWaalsContact C-N 3.32Å; M72-S74 PolarHBondContact O-N 2.89Å; S74-Y77 PolarHBondContact O-N 2.85Å; S74-S78 PolarHBondContact O-N 3.4Å; S74-S78 PolarHBondContact O-OG 2.86Å; S74-W134 VanDerWaalsContact OG-CH2 3.25Å; S74-W134 WeakPolarHBondContact OG-CH2 3.29Å; S74-T137 VanDerWaalsContact CB-O 3.26Å; S74-T137 WeakPolarHBondContact CB-O 3.37Å; S74-T137 PolarHBondContact OG-N 3.27Å; S74-T137 PolarHBondContact OG-O 3Å; S74-T137 PolarHBondContact OG-OG1 3.35Å
75S96.2Very high96.7Very high2 Ų246.1 Ų46.11%0.01421%0.207CC..Hα-helixtrans-67.9-43.9175.9-55.30000111.5K71 M72 H73 S78 L79K71-S75 WeakPolarHBondContact O-CB 3.28Å; K71-S75 PolarHBondContact O-N 2.95Å; K71-S75 PolarHBondContact O-OG 3.01Å; M72-S75 PolarHBondContact O-N 2.66Å; M72-S75 VanDerWaalsContact O-N 3.13Å; H73-S75 PolarHBondContact O-N 3.03Å; S75-S78 PolarHBondContact O-N 2.95Å; S75-L79 PolarHBondContact O-N 3.05Å
76L96.3Very high96.9Very high19 Ų1944.6 Ų44.610%0.09920%0.199CC..Hα-helixtrans-64.3-39.9174.3-70.9176.9000111.9Y57 L60 L64 M72 H73 S78 L79 A80Y57-L76 HydrophobicContact CD2-CB 4Å; Y57-L76 HydrophobicContact CE2-CB 4.39Å; L60-L76 HydrophobicContact CD1-CD1 4.19Å; L64-L76 HydrophobicContact CD1-CD1 3.74Å; M72-L76 HydrophobicContact CE-CD1 4.05Å; M72-L76 HydrophobicContact CE-CD2 4.07Å; M72-L76 HydrophobicContact CE-CG 4.03Å; M72-L76 HydrophobicContact CG-CD1 4.27Å; M72-L76 WeakPolarHBondContact O-CG 3.28Å; M72-L76 PolarHBondContact O-N 3.28Å; M72-L76 HydrophobicContact SD-CG 4.46Å; H73-L76 PolarHBondContact O-N 3.45Å; L76-S78 VanDerWaalsContact C-N 3.31Å; L76-S78 PolarHBondContact O-N 3.42Å; L76-L79 PolarHBondContact O-N 2.89Å; L76-A80 WeakPolarHBondContact O-CB 3.11Å; L76-A80 PolarHBondContact O-N 3.07Å
77Y97.3Very high97Very high0 Ų036.3 Ų36.30%017%0.168CC..Hα-helixtrans-56.4-47.9172.7165.3-96.7000110.8Y57 H73 S74 L79 A80 F81 I127 A131 P136 V204Y57-Y77 VanDerWaalsContact CE2-CA 3.47Å; H73-Y77 WeakPolarHBondContact O-CB 3.49Å; H73-Y77 PolarHBondContact O-N 2.87Å; S74-Y77 PolarHBondContact O-N 2.85Å; Y77-L79 PolarHBondContact O-N 3.22Å; Y77-A80 PolarHBondContact O-N 3.22Å; Y77-F81 HydrophobicContact CE2-CB 4.26Å; Y77-F81 VanDerWaalsContact O-CB 3.27Å; Y77-F81 WeakPolarHBondContact O-CB 3.22Å; Y77-F81 PolarHBondContact O-N 3.42Å; Y77-I127 HydrophobicContact CD2-CD1 4.1Å; Y77-I127 HydrophobicContact CD2-CG1 3.67Å; Y77-I127 HydrophobicContact CE2-CD1 4.4Å; Y77-I127 HydrophobicContact CE2-CG1 3.64Å; Y77-A131 HydrophobicContact CD2-CB 4.33Å; Y77-A131 HydrophobicContact CE1-CB 4.47Å; Y77-A131 HydrophobicContact CE2-CB 3.48Å; Y77-A131 VanDerWaalsContact CE2-CB 3.48Å; Y77-A131 WeakPolarHBondContact OH-CB 3.3Å; Y77-P136 HydrophobicContact CD1-CB 4.08Å; Y77-P136 HydrophobicContact CD1-CG 3.69Å; Y77-P136 HydrophobicContact CD2-CG 4.31Å; Y77-P136 HydrophobicContact CE1-CG 3.85Å; Y77-P136 HydrophobicContact CE2-CG 4.46Å; Y77-P136 HydrophobicContact CG-CB 4.46Å; Y77-P136 HydrophobicContact CG-CG 3.93Å; Y77-V204 HydrophobicContact CD1-CG2 3.91Å; Y77-V204 HydrophobicContact CE1-CG2 3.59Å
78S97.3Very high97.1Very high4 Ų431 Ų313%0.02815%0.147CC..Hα-helixtrans-64.6-40.1-179.7-76.10000112.8S74 S75 L76 T82 S200S74-S78 PolarHBondContact O-N 3.4Å; S74-S78 PolarHBondContact O-OG 2.86Å; S75-S78 PolarHBondContact O-N 2.95Å; L76-S78 VanDerWaalsContact C-N 3.31Å; L76-S78 PolarHBondContact O-N 3.42Å; S78-T82 VanDerWaalsContact O-CB 3.29Å; S78-T82 WeakPolarHBondContact O-CB 3.44Å; S78-T82 PolarHBondContact O-N 2.83Å; S78-T82 VanDerWaalsContact O-N 3.07Å; S78-T82 PolarHBondContact O-OG1 3.23Å; S78-S200 VanDerWaalsContact CA-OG 3.28Å; S78-S200 WeakPolarHBondContact CA-OG 3.42Å; S78-S200 WeakPolarHBondContact CB-OG 3.33Å; S78-S200 PolarHBondContact OG-OG 3.41Å; S78-S200 VanDerWaalsContact OG-OG 3.12Å
79L97.6Very high97.2Very high8 Ų827.3 Ų27.34%0.04213%0.134CC..Hα-helixtrans-60.7-56.2173.1171.562.6000110.9L53 S75 L76 Y77 F81 T82 A83 F147 L148 Y151L53-L79 HydrophobicContact CD1-CD2 3.81Å; L53-L79 HydrophobicContact CD1-CG 4.33Å; L53-L79 HydrophobicContact CD2-CD1 4.5Å; L53-L79 HydrophobicContact CD2-CD2 4.18Å; L53-L79 HydrophobicContact CD2-CG 3.91Å; S75-L79 PolarHBondContact O-N 3.05Å; L76-L79 PolarHBondContact O-N 2.89Å; Y77-L79 PolarHBondContact O-N 3.22Å; L79-F81 PolarHBondContact O-N 3.44Å; L79-T82 PolarHBondContact O-N 3.33Å; L79-A83 WeakPolarHBondContact O-CB 3.34Å; L79-A83 PolarHBondContact O-N 3.47Å; L79-F147 HydrophobicContact CB-CB 4.36Å; L79-F147 HydrophobicContact CD2-CB 4.07Å; L79-L148 HydrophobicContact CD1-CD2 3.76Å; L79-L148 HydrophobicContact CD1-CG 4.36Å; L79-Y151 HydrophobicContact CD1-CD1 4.09Å; L79-Y151 HydrophobicContact CD1-CG 3.95Å
80A98.2Very high97.2Very high0 Ų025.5 Ų25.50%012%0.124CC..Hα-helixtrans-61.2-43.7-176.800000111.6L53 Y57 L76 Y77 T82 A83 N84 I127L53-A80 HydrophobicContact CD2-CB 4.32Å; L53-A80 HydrophobicContact CG-CB 4.31Å; Y57-A80 HydrophobicContact CD2-CB 4.24Å; Y57-A80 HydrophobicContact CG-CB 4.24Å; L76-A80 WeakPolarHBondContact O-CB 3.11Å; L76-A80 PolarHBondContact O-N 3.07Å; Y77-A80 PolarHBondContact O-N 3.22Å; A80-T82 PolarHBondContact O-N 3.36Å; A80-A83 PolarHBondContact O-N 3.15Å; A80-N84 PolarHBondContact O-N 2.55Å; A80-N84 PolarHBondContact O-ND2 3.03Å; A80-I127 HydrophobicContact CB-CD1 3.34Å
81F98.4Very high97.3Very high8 Ų822.8 Ų22.84%0.03511%0.112CC..Hα-helixtrans-63.7-42.5177.5179.6-135.7000111.8Y77 L79 A83 N84 L85 T124 I127 I128 V199 M203Y77-F81 HydrophobicContact CE2-CB 4.26Å; Y77-F81 VanDerWaalsContact O-CB 3.27Å; Y77-F81 WeakPolarHBondContact O-CB 3.22Å; Y77-F81 PolarHBondContact O-N 3.42Å; L79-F81 PolarHBondContact O-N 3.44Å; F81-A83 PolarHBondContact O-N 3.41Å; F81-N84 PolarHBondContact O-N 2.79Å; F81-L85 HydrophobicContact CZ-CD2 4.38Å; F81-L85 VanDerWaalsContact O-CB 3.3Å; F81-L85 WeakPolarHBondContact O-CB 3.49Å; F81-L85 PolarHBondContact O-N 2.97Å; F81-T124 HydrophobicContact CE2-CG2 4.05Å; F81-I127 HydrophobicContact CB-CD1 4.25Å; F81-I127 HydrophobicContact CB-CG1 4.46Å; F81-I127 HydrophobicContact CB-CG2 4Å; F81-I127 HydrophobicContact CD2-CG2 3.49Å; F81-I127 VanDerWaalsContact CD2-CG2 3.49Å; F81-I127 HydrophobicContact CE2-CG2 4.4Å; F81-I127 HydrophobicContact CG-CG2 4.12Å; F81-I128 HydrophobicContact CD2-CG1 4.42Å; F81-I128 HydrophobicContact CE2-CD1 3.92Å; F81-I128 HydrophobicContact CE2-CG1 3.74Å; F81-I128 HydrophobicContact CZ-CD1 4.28Å; F81-I128 HydrophobicContact CZ-CG1 4.16Å; F81-V199 HydrophobicContact CE1-CG1 4.2Å; F81-V199 HydrophobicContact CZ-CG1 4.32Å; F81-M203 HydrophobicContact CE1-CB 4.37Å
82T98.4Very high97.5Very high0 Ų017.8 Ų17.80%09%0.09CC..Hα-helixtrans-60.7-45.3175.6-56.50000111.2S78 L79 A80 L85 I86 L148 F152 T193 C196 F197S78-T82 VanDerWaalsContact O-CB 3.29Å; S78-T82 WeakPolarHBondContact O-CB 3.44Å; S78-T82 PolarHBondContact O-N 2.83Å; S78-T82 VanDerWaalsContact O-N 3.07Å; S78-T82 PolarHBondContact O-OG1 3.23Å; L79-T82 PolarHBondContact O-N 3.33Å; A80-T82 PolarHBondContact O-N 3.36Å; T82-L85 PolarHBondContact O-N 3.06Å; T82-I86 WeakPolarHBondContact O-CG2 3.46Å; T82-I86 PolarHBondContact O-N 3.47Å; T82-L148 HydrophobicContact CG2-CD2 3.83Å; T82-F152 HydrophobicContact CG2-CE2 4.27Å; T82-T193 HydrophobicContact CG2-CG2 3.85Å; T82-C196 HydrophobicContact CG2-CB 4.03Å; T82-F197 HydrophobicContact CG2-CB 3.93Å; T82-F197 WeakPolarHBondContact OG1-CA 3.4Å
83A98.6Very high97.6Very high0 Ų016.4 Ų16.40%09%0.093CC..Hα-helixtrans-62.3-47.3179.100000112.8T50 L53 L79 A80 F81 L85 I86 V87 Y151 F152T50-A83 HydrophobicContact CG2-CB 3.81Å; L53-A83 HydrophobicContact CD2-CB 3.75Å; L79-A83 WeakPolarHBondContact O-CB 3.34Å; L79-A83 PolarHBondContact O-N 3.47Å; A80-A83 PolarHBondContact O-N 3.15Å; F81-A83 PolarHBondContact O-N 3.41Å; A83-L85 VanDerWaalsContact C-N 3.32Å; A83-L85 PolarHBondContact O-N 3.37Å; A83-I86 WeakPolarHBondContact O-CG2 3.35Å; A83-V87 WeakPolarHBondContact O-CB 3.35Å; A83-V87 VanDerWaalsContact O-CG2 3.31Å; A83-V87 WeakPolarHBondContact O-CG2 3.46Å; A83-V87 PolarHBondContact O-N 3.49Å; A83-Y151 HydrophobicContact CB-CE1 4.02Å; A83-F152 HydrophobicContact CB-CZ 4.11Å
84N98.7Very high97.6Very high10 Ų1017.6 Ų17.65%0.05310%0.1CC..Hα-helixtrans-62.5-41.5176.2-71.3-73.2000112Q54 A80 F81 C88 G123 T124Q54-N84 PolarHBondContact NE2-ND2 2.82Å; Q54-N84 PolarHBondContact NE2-OD1 3.25Å; Q54-N84 PolarHBondContact OE1-ND2 3.45Å; A80-N84 PolarHBondContact O-N 2.55Å; A80-N84 PolarHBondContact O-ND2 3.03Å; F81-N84 PolarHBondContact O-N 2.79Å; N84-C88 VanDerWaalsContact O-CB 3.23Å; N84-C88 WeakPolarHBondContact O-CB 3.21Å; N84-C88 PolarHBondContact O-N 2.85Å; N84-G123 WeakPolarHBondContact OD1-CA 3.27Å; N84-T124 PolarHBondContact O-OG1 3.18Å
85L98.6Very high97.5Very high29 Ų2919.2 Ų19.215%0.15211%0.106CC..Hα-helixtrans-67.4-45-177-173.958.7000111.5F81 T82 A83 C88 I89 T124 C196 V199F81-L85 HydrophobicContact CZ-CD2 4.38Å; F81-L85 VanDerWaalsContact O-CB 3.3Å; F81-L85 WeakPolarHBondContact O-CB 3.49Å; F81-L85 PolarHBondContact O-N 2.97Å; T82-L85 PolarHBondContact O-N 3.06Å; A83-L85 VanDerWaalsContact C-N 3.32Å; A83-L85 PolarHBondContact O-N 3.37Å; L85-C88 WeakPolarHBondContact O-CB 3.4Å; L85-C88 PolarHBondContact O-N 2.97Å; L85-I89 HydrophobicContact CD1-CD1 4.02Å; L85-I89 HydrophobicContact CD1-CG1 4.45Å; L85-I89 HydrophobicContact CG-CD1 3.96Å; L85-I89 WeakPolarHBondContact O-CG1 3.14Å; L85-I89 PolarHBondContact O-N 3.46Å; L85-T124 HydrophobicContact CD1-CG2 4.21Å; L85-C196 HydrophobicContact CB-CB 4.35Å; L85-C196 HydrophobicContact CD2-CB 3.91Å; L85-C196 HydrophobicContact CG-CB 4.2Å; L85-V199 HydrophobicContact CD2-CB 4.24Å; L85-V199 HydrophobicContact CD2-CG1 4.2Å
86I98.3Very high97.4Very high2 Ų225.6 Ų25.61%0.0114%0.139CC..Hα-helixtrans-68.4-40.2178.5-169.763.2000111.9T82 A83 C88 I89 M90 F152 A192T82-I86 WeakPolarHBondContact O-CG2 3.46Å; T82-I86 PolarHBondContact O-N 3.47Å; A83-I86 WeakPolarHBondContact O-CG2 3.35Å; I86-C88 VanDerWaalsContact C-N 3.32Å; I86-C88 PolarHBondContact O-N 2.93Å; I86-I89 PolarHBondContact O-N 3.43Å; I86-M90 HydrophobicContact CD1-CG 3.78Å; I86-M90 HydrophobicContact CD1-SD 4.4Å; I86-M90 HydrophobicContact CG1-CG 3.95Å; I86-M90 VanDerWaalsContact O-CB 3.3Å; I86-M90 WeakPolarHBondContact O-CB 3.37Å; I86-M90 VanDerWaalsContact O-CG 3.3Å; I86-M90 WeakPolarHBondContact O-CG 3.5Å; I86-M90 PolarHBondContact O-N 2.89Å; I86-F152 HydrophobicContact CG2-CE1 3.83Å; I86-F152 HydrophobicContact CG2-CZ 3.74Å; I86-A192 HydrophobicContact CD1-CB 3.64Å
87V98.1Very high97.4Very high8 Ų829.7 Ų29.75%0.04817%0.17CC..Hα-helixtrans-61.1-43.7175.3166.60000110.6L46 T47 T50 A83 F91L46-V87 HydrophobicContact CD2-CG2 4.08Å; L46-V87 HydrophobicContact CG-CG2 3.87Å; T47-V87 HydrophobicContact CG2-CG1 4.29Å; T50-V87 HydrophobicContact CG2-CG2 4.3Å; T50-V87 WeakPolarHBondContact OG1-CG2 3.32Å; A83-V87 WeakPolarHBondContact O-CB 3.35Å; A83-V87 VanDerWaalsContact O-CG2 3.31Å; A83-V87 WeakPolarHBondContact O-CG2 3.46Å; A83-V87 PolarHBondContact O-N 3.49Å; V87-F91 WeakPolarHBondContact O-CB 3.33Å; V87-F91 PolarHBondContact O-N 3.47Å
88C98.5Very high97.2Very high24 Ų2432.9 Ų32.916%0.16219%0.187CC..Hα-helixtrans-58.2-53.1176.2-175.60000111.6N84 L85 I86 W92 H120N84-C88 VanDerWaalsContact O-CB 3.23Å; N84-C88 WeakPolarHBondContact O-CB 3.21Å; N84-C88 PolarHBondContact O-N 2.85Å; L85-C88 WeakPolarHBondContact O-CB 3.4Å; L85-C88 PolarHBondContact O-N 2.97Å; I86-C88 VanDerWaalsContact C-N 3.32Å; I86-C88 PolarHBondContact O-N 2.93Å; C88-W92 WeakPolarHBondContact O-CB 3.42Å; C88-W92 PolarHBondContact O-N 2.99Å; C88-H120 WeakPolarHBondContact CA-O 3.33Å; C88-H120 WeakPolarHBondContact CB-O 3.47Å; C88-H120 PolarHBondContact SG-O 3.47Å; C88-H120 VanDerWaalsContact SG-O 3.42Å
89I98.1Very high97Very high86 Ų8636.6 Ų36.644%0.44120%0.202SC..Hα-helixtrans-63.1-49.2-177.3-69.3167.2000110.9L85 I86 G93L85-I89 HydrophobicContact CD1-CD1 4.02Å; L85-I89 HydrophobicContact CD1-CG1 4.45Å; L85-I89 HydrophobicContact CG-CD1 3.96Å; L85-I89 WeakPolarHBondContact O-CG1 3.14Å; L85-I89 PolarHBondContact O-N 3.46Å; I86-I89 PolarHBondContact O-N 3.43Å; I89-G93 WeakPolarHBondContact O-CA 3.13Å; I89-G93 PolarHBondContact O-N 3.46Å
90M97.1Very high96.7Very high47 Ų4739.2 Ų39.223%0.23222%0.219CC..Hα-helixtrans-66.6-45-177.3-71-58.2-57.600111.7I86 I94 F185I86-M90 HydrophobicContact CD1-CG 3.78Å; I86-M90 HydrophobicContact CD1-SD 4.4Å; I86-M90 HydrophobicContact CG1-CG 3.95Å; I86-M90 VanDerWaalsContact O-CB 3.3Å; I86-M90 WeakPolarHBondContact O-CB 3.37Å; I86-M90 VanDerWaalsContact O-CG 3.3Å; I86-M90 WeakPolarHBondContact O-CG 3.5Å; I86-M90 PolarHBondContact O-N 2.89Å; M90-I94 HydrophobicContact CE-CD1 4.12Å; M90-I94 WeakPolarHBondContact O-CB 3.22Å; M90-I94 VanDerWaalsContact O-CG1 3.26Å; M90-I94 WeakPolarHBondContact O-CG1 3.46Å; M90-I94 PolarHBondContact O-N 3.32Å; M90-F185 HydrophobicContact CE-CE2 4.03Å; M90-F185 HydrophobicContact CE-CZ 3.77Å
91F97Very high96.5Very high18 Ų1841.5 Ų41.58%0.07923%0.23CC..Hα-helixtrans-61.1-55.5179.1174.8-96.1000111V87 G93 I94 F95 L102 N116 H120V87-F91 WeakPolarHBondContact O-CB 3.33Å; V87-F91 PolarHBondContact O-N 3.47Å; F91-G93 VanDerWaalsContact C-N 3.34Å; F91-G93 PolarHBondContact O-N 2.93Å; F91-I94 PolarHBondContact O-N 3.34Å; F91-F95 HydrophobicContact CE1-CB 4.36Å; F91-F95 HydrophobicContact CE1-CD2 4.09Å; F91-F95 HydrophobicContact CE1-CG 4.37Å; F91-F95 HydrophobicContact CE2-CD2 4.41Å; F91-F95 AromaticContact CZ-CD2 3.73Å; F91-F95 HydrophobicContact CZ-CD2 3.73Å; F91-F95 HydrophobicContact CZ-CE2 4.34Å; F91-F95 HydrophobicContact CZ-CG 4.41Å; F91-F95 WeakPolarHBondContact O-CB 3.42Å; F91-F95 PolarHBondContact O-N 3.11Å; F91-L102 HydrophobicContact CD2-CD1 3.77Å; F91-L102 HydrophobicContact CD2-CD2 4.46Å; F91-L102 HydrophobicContact CE2-CD1 3.72Å; F91-L102 HydrophobicContact CZ-CD1 4.48Å; F91-N116 HydrophobicContact CZ-CB 4.42Å; F91-H120 HydrophobicContact CB-CB 4.15Å; F91-H120 HydrophobicContact CD1-CB 3.51Å; F91-H120 AromaticContact CD1-CD2 3.79Å; F91-H120 AromaticContact CD1-CG 3.38Å; F91-H120 AromaticContact CD1-ND1 3.71Å; F91-H120 AromaticContact CD2-CD2 3.37Å; F91-H120 WeakPolarHBondContact CD2-CD2 3.43Å; F91-H120 AromaticContact CD2-CE1 3.55Å; F91-H120 AromaticContact CD2-CG 3.76Å; F91-H120 AromaticContact CD2-ND1 3.87Å; F91-H120 AromaticContact CD2-NE2 3.25Å; F91-H120 VanDerWaalsContact CD2-NE2 3.25Å; F91-H120 WeakPolarHBondContact CD2-NE2 3.45Å; F91-H120 HydrophobicContact CE1-CB 4.05Å; F91-H120 AromaticContact CE1-CG 3.73Å; F91-H120 AromaticContact CE1-ND1 3.54Å; F91-H120 AromaticContact CE2-CD2 3.96Å; F91-H120 AromaticContact CE2-CE1 3.31Å; F91-H120 WeakPolarHBondContact CE2-CE1 3.34Å; F91-H120 AromaticContact CE2-ND1 3.69Å; F91-H120 AromaticContact CE2-NE2 3.51Å; F91-H120 HydrophobicContact CG-CB 3.86Å; F91-H120 AromaticContact CG-CD2 3.26Å; F91-H120 WeakPolarHBondContact CG-CD2 3.37Å; F91-H120 AromaticContact CG-CG 3.39Å; F91-H120 AromaticContact CG-ND1 3.87Å; F91-H120 AromaticContact CG-NE2 3.7Å; F91-H120 AromaticContact CZ-CE1 3.58Å; F91-H120 AromaticContact CZ-ND1 3.52Å
92W97.7Very high96.3Very high39 Ų3942 Ų4215%0.14823%0.233CC..Hα-helixtrans-69.1-33.6-176.6-71.3112.8000112.4C88 F95 I96 W113 N116 H117 T121C88-W92 WeakPolarHBondContact O-CB 3.42Å; C88-W92 PolarHBondContact O-N 2.99Å; W92-F95 HydrophobicContact CE3-CB 4.32Å; W92-F95 AromaticContact CE3-CD1 3.95Å; W92-F95 HydrophobicContact CE3-CD1 3.95Å; W92-F95 HydrophobicContact CE3-CG 4.18Å; W92-F95 AromaticContact CZ3-CD1 3.84Å; W92-F95 HydrophobicContact CZ3-CD1 3.84Å; W92-F95 HydrophobicContact CZ3-CE1 4Å; W92-F95 HydrophobicContact CZ3-CG 4.2Å; W92-F95 HydrophobicContact CZ3-CZ 4.45Å; W92-F95 PolarHBondContact O-N 2.94Å; W92-I96 WeakPolarHBondContact O-CB 3.39Å; W92-I96 WeakPolarHBondContact O-CD1 3.19Å; W92-I96 WeakPolarHBondContact O-CG1 3.41Å; W92-I96 PolarHBondContact O-N 3.5Å; W92-W113 HydrophobicContact CH2-CE3 4.38Å; W92-W113 AromaticContact CH2-CZ3 3.87Å; W92-W113 HydrophobicContact CH2-CZ3 3.87Å; W92-W113 AromaticContact CZ3-CZ3 3.89Å; W92-W113 HydrophobicContact CZ3-CZ3 3.89Å; W92-N116 HydrophobicContact CH2-CB 4.29Å; W92-H117 AromaticContact CH2-CE1 3.77Å; W92-H117 AromaticContact CZ2-CE1 3.51Å; W92-H117 AromaticContact CZ2-ND1 3.5Å; W92-H117 WeakPolarHBondContact CZ2-ND1 3.32Å; W92-T121 PolarHBondContact NE1-OG1 2.86Å
93G96.9Very high95.8Very high40 Ų4043 Ų4341%0.41224%0.241SC..Hα-helixtrans-58.4-52.4172.900000111.8I89 F91 S97I89-G93 WeakPolarHBondContact O-CA 3.13Å; I89-G93 PolarHBondContact O-N 3.46Å; F91-G93 VanDerWaalsContact C-N 3.34Å; F91-G93 PolarHBondContact O-N 2.93Å; G93-S97 WeakPolarHBondContact O-CB 3.47Å; G93-S97 PolarHBondContact O-N 3.46Å; G93-S97 PolarHBondContact O-OG 3.28Å; G93-S97 VanDerWaalsContact O-OG 3.11Å
94I95.3Very high95.2Very high26 Ų2647.5 Ų47.513%0.13327%0.266CS..Hα-helixtrans-67.9-43.5178-61.1168.3000110.7M90 F91 I96 S97 D98 L101 L102M90-I94 HydrophobicContact CE-CD1 4.12Å; M90-I94 WeakPolarHBondContact O-CB 3.22Å; M90-I94 VanDerWaalsContact O-CG1 3.26Å; M90-I94 WeakPolarHBondContact O-CG1 3.46Å; M90-I94 PolarHBondContact O-N 3.32Å; F91-I94 PolarHBondContact O-N 3.34Å; I94-I96 VanDerWaalsContact C-N 3.31Å; I94-I96 PolarHBondContact O-N 2.96Å; I94-S97 PolarHBondContact O-N 3.02Å; I94-D98 CarbonylContact O-C 3.55Å; I94-D98 PolarHBondContact O-N 3.02Å; I94-L101 HydrophobicContact CG2-CB 3.67Å; I94-L101 HydrophobicContact CG2-CD1 4.34Å; I94-L102 HydrophobicContact CB-CD1 4.35Å; I94-L102 HydrophobicContact CB-CD2 4.02Å; I94-L102 HydrophobicContact CB-CG 4.15Å; I94-L102 HydrophobicContact CD1-CD2 4.1Å; I94-L102 HydrophobicContact CG2-CD1 4.21Å; I94-L102 HydrophobicContact CG2-CD2 3.83Å; I94-L102 HydrophobicContact CG2-CG 3.63Å
95F94.7Very high94.4Very high33 Ų3351.9 Ų51.915%0.14529%0.286CS..Hα-helixtrans-58.2-41.7-177.9-177-80.4000112.6F91 W92 K99 L102 M108 W113F91-F95 HydrophobicContact CE1-CB 4.36Å; F91-F95 HydrophobicContact CE1-CD2 4.09Å; F91-F95 HydrophobicContact CE1-CG 4.37Å; F91-F95 HydrophobicContact CE2-CD2 4.41Å; F91-F95 AromaticContact CZ-CD2 3.73Å; F91-F95 HydrophobicContact CZ-CD2 3.73Å; F91-F95 HydrophobicContact CZ-CE2 4.34Å; F91-F95 HydrophobicContact CZ-CG 4.41Å; F91-F95 WeakPolarHBondContact O-CB 3.42Å; F91-F95 PolarHBondContact O-N 3.11Å; W92-F95 HydrophobicContact CE3-CB 4.32Å; W92-F95 AromaticContact CE3-CD1 3.95Å; W92-F95 HydrophobicContact CE3-CD1 3.95Å; W92-F95 HydrophobicContact CE3-CG 4.18Å; W92-F95 AromaticContact CZ3-CD1 3.84Å; W92-F95 HydrophobicContact CZ3-CD1 3.84Å; W92-F95 HydrophobicContact CZ3-CE1 4Å; W92-F95 HydrophobicContact CZ3-CG 4.2Å; W92-F95 HydrophobicContact CZ3-CZ 4.45Å; W92-F95 PolarHBondContact O-N 2.94Å; F95-K99 HydrophobicContact CD2-CB 4.25Å; F95-L102 HydrophobicContact CB-CD1 3.86Å; F95-L102 HydrophobicContact CD2-CD1 4.28Å; F95-M108 HydrophobicContact CD2-CE 3.63Å; F95-M108 HydrophobicContact CE2-CE 3.31Å; F95-M108 HydrophobicContact CZ-CE 4.47Å; F95-W113 AromaticContact CE1-CH2 3.62Å; F95-W113 HydrophobicContact CE1-CH2 3.62Å; F95-W113 HydrophobicContact CE1-CZ2 4.42Å; F95-W113 HydrophobicContact CE1-CZ3 4.2Å; F95-W113 AromaticContact CZ-CH2 3.61Å; F95-W113 HydrophobicContact CZ-CH2 3.61Å; F95-W113 HydrophobicContact CZ-CZ2 4.12Å; F95-W113 HydrophobicContact CZ-CZ3 4.11Å
96I95.3Very high93.5Very high136 Ų13654.7 Ų54.770%0.69731%0.308SS*.Hα-helixtrans-74.9-37.6179.6-66.8166000111.1W92 I94W92-I96 WeakPolarHBondContact O-CB 3.39Å; W92-I96 WeakPolarHBondContact O-CD1 3.19Å; W92-I96 WeakPolarHBondContact O-CG1 3.41Å; W92-I96 PolarHBondContact O-N 3.5Å; I94-I96 VanDerWaalsContact C-N 3.31Å; I94-I96 PolarHBondContact O-N 2.96Å
97S94.8Very high92.6Very high106 Ų10658.6 Ų58.674%0.74133%0.326SS*.Hα-helixtrans-72.6-55.6178.9-63.60000112.6G93 I94G93-S97 WeakPolarHBondContact O-CB 3.47Å; G93-S97 PolarHBondContact O-N 3.46Å; G93-S97 PolarHBondContact O-OG 3.28Å; G93-S97 VanDerWaalsContact O-OG 3.11Å; I94-S97 PolarHBondContact O-N 3.02Å
98D93.6Very high91.8Very high67 Ų6759.5 Ų59.536%0.35833%0.33SS..Hα-helixtrans-160.6100.4175.6-176.2-6.2000110.2I94 T100 L101I94-D98 CarbonylContact O-C 3.55Å; I94-D98 PolarHBondContact O-N 3.02Å; D98-T100 VanDerWaalsContact CG-OG1 3.24Å; D98-T100 PolarHBondContact O-N 2.88Å; D98-T100 WeakPolarHBondContact OD1-CB 3.45Å; D98-T100 WeakPolarHBondContact OD1-CG2 3.3Å; D98-T100 PolarHBondContact OD1-N 3.16Å; D98-T100 PolarHBondContact OD1-OG1 3.46Å; D98-T100 PolarHBondContact OD2-OG1 3.44Å; D98-L101 HydrophobicContact CB-CD1 3.95Å; D98-L101 HydrophobicContact CB-CG 4.05Å; D98-L101 WeakPolarHBondContact O-CB 3.38Å; D98-L101 PolarHBondContact O-N 3.3Å
99K92.4Very high91.1Very high81 Ų8165.4 Ų65.435%0.35235%0.353SS..G310 helixtrans-61.2-21.4178.664.1178.1178177.90114.4F95 L101 L102 M108F95-K99 HydrophobicContact CD2-CB 4.25Å; K99-L101 PolarHBondContact O-N 3.04Å; K99-L102 WeakPolarHBondContact O-CB 3.3Å; K99-L102 PolarHBondContact O-N 3.47Å; K99-L102 VanDerWaalsContact O-N 3.07Å; K99-M108 HydrophobicContact CB-CE 4.33Å
100T92.6Very high90.4Very high64 Ų6464.9 Ų64.939%0.39336%0.357SS..G310 helixtrans-69.1-17-179.970.80000112.3D98 L102 A103D98-T100 VanDerWaalsContact CG-OG1 3.24Å; D98-T100 PolarHBondContact O-N 2.88Å; D98-T100 WeakPolarHBondContact OD1-CB 3.45Å; D98-T100 WeakPolarHBondContact OD1-CG2 3.3Å; D98-T100 PolarHBondContact OD1-N 3.16Å; D98-T100 PolarHBondContact OD1-OG1 3.46Å; D98-T100 PolarHBondContact OD2-OG1 3.44Å; T100-L102 VanDerWaalsContact C-N 3.25Å; T100-L102 PolarHBondContact O-N 3.22Å; T100-A103 WeakPolarHBondContact CA-O 3.47Å
101L94.5Very high90Very high47 Ų4763.9 Ų63.925%0.24635%0.353CS..G310 helixtrans-73.1-15172.6-62.6179.3000113.4I94 D98 K99 P172 V173 V176I94-L101 HydrophobicContact CG2-CB 3.67Å; I94-L101 HydrophobicContact CG2-CD1 4.34Å; D98-L101 HydrophobicContact CB-CD1 3.95Å; D98-L101 HydrophobicContact CB-CG 4.05Å; D98-L101 WeakPolarHBondContact O-CB 3.38Å; D98-L101 PolarHBondContact O-N 3.3Å; K99-L101 PolarHBondContact O-N 3.04Å; L101-P172 WeakPolarHBondContact O-CD 3.35Å; L101-V173 HydrophobicContact CB-CB 4.01Å; L101-V173 HydrophobicContact CB-CG2 4.32Å; L101-V173 HydrophobicContact CD1-CG2 4.37Å; L101-V173 HydrophobicContact CD2-CG2 4.5Å; L101-V173 WeakPolarHBondContact O-CB 3.36Å; L101-V173 PolarHBondContact O-N 3.24Å; L101-V176 HydrophobicContact CD2-CG2 4.28Å
102L93.2Very high89.8Confident19 Ų1964.7 Ų64.710%0.09936%0.36CS..THydrogen-bonded Turntrans-95.7-45.3178.6-66.4170.7000112.7F91 I94 F95 K99 T100 P172F91-L102 HydrophobicContact CD2-CD1 3.77Å; F91-L102 HydrophobicContact CD2-CD2 4.46Å; F91-L102 HydrophobicContact CE2-CD1 3.72Å; F91-L102 HydrophobicContact CZ-CD1 4.48Å; I94-L102 HydrophobicContact CB-CD1 4.35Å; I94-L102 HydrophobicContact CB-CD2 4.02Å; I94-L102 HydrophobicContact CB-CG 4.15Å; I94-L102 HydrophobicContact CD1-CD2 4.1Å; I94-L102 HydrophobicContact CG2-CD1 4.21Å; I94-L102 HydrophobicContact CG2-CD2 3.83Å; I94-L102 HydrophobicContact CG2-CG 3.63Å; F95-L102 HydrophobicContact CB-CD1 3.86Å; F95-L102 HydrophobicContact CD2-CD1 4.28Å; K99-L102 WeakPolarHBondContact O-CB 3.3Å; K99-L102 PolarHBondContact O-N 3.47Å; K99-L102 VanDerWaalsContact O-N 3.07Å; T100-L102 VanDerWaalsContact C-N 3.25Å; T100-L102 PolarHBondContact O-N 3.22Å; L102-P172 VanDerWaalsContact O-CD 3.25Å; L102-P172 WeakPolarHBondContact O-CD 3.33Å
103A88Confident89.6Confident20 Ų2070.4 Ų70.417%0.16538%0.382CS..SBendtrans-161.7167-177.700000110.1T100 E107 M108T100-A103 WeakPolarHBondContact CA-O 3.47Å; A103-E107 HydrophobicContact CB-CB 4.32Å; A103-E107 WeakPolarHBondContact CB-OE2 3.32Å; A103-M108 HydrophobicContact CB-CG 4.04Å; A103-M108 HydrophobicContact CB-SD 3.78Å
104N85.4Confident89.6Confident96 Ų9674.2 Ų74.251%0.51338%0.384SS..  trans-68.6153.7-179.8-68.5-12.8000111.1S106 E107 M108N104-S106 VanDerWaalsContact C-N 3.25Å; N104-S106 PolarHBondContact O-N 2.85Å; N104-E107 HydrophobicContact CB-CG 4.32Å; N104-E107 PolarHBondContact N-OE2 3.44Å; N104-E107 WeakPolarHBondContact O-CB 3.27Å; N104-E107 PolarHBondContact O-N 3.19Å; N104-E107 VanDerWaalsContact O-N 3.09Å; N104-M108 WeakPolarHBondContact O-CG 3.3Å; N104-M108 PolarHBondContact O-N 2.95Å
105E82.2Confident89.6Confident102 Ų10273.6 Ų73.648%0.47738%0.38SS..Hα-helixtrans-60.8-34-174.2-161.7-169.7158.700113.1M108 K109E105-M108 PolarHBondContact O-N 2.97Å; E105-K109 WeakPolarHBondContact O-CG 3.31Å; E105-K109 PolarHBondContact O-N 3.35Å; E105-K109 WeakPolarHBondContact OE1-CE 3.43Å; E105-K109 IonicContact OE1-NZ 3.65Å; E105-K109 PolarHBondContact OE1-NZ 3.47Å
106S79Confident89.6Confident88 Ų8872.5 Ų72.562%0.61538%0.376SS*.Hα-helixtrans-63.7-44.9175.252.60000112.3N104 M108 K109 S110N104-S106 VanDerWaalsContact C-N 3.25Å; N104-S106 PolarHBondContact O-N 2.85Å; S106-M108 VanDerWaalsContact C-N 3.34Å; S106-K109 PolarHBondContact O-N 3.45Å; S106-S110 PolarHBondContact O-N 3.4Å
107E80.4Confident89.7Confident84 Ų8469.8 Ų69.839%0.39336%0.36SS..Hα-helixtrans-64.6-40.8176.3-60.3174.114300110.4A103 N104 K109 S110 V111A103-E107 HydrophobicContact CB-CB 4.32Å; A103-E107 WeakPolarHBondContact CB-OE2 3.32Å; N104-E107 HydrophobicContact CB-CG 4.32Å; N104-E107 PolarHBondContact N-OE2 3.44Å; N104-E107 WeakPolarHBondContact O-CB 3.27Å; N104-E107 PolarHBondContact O-N 3.19Å; N104-E107 VanDerWaalsContact O-N 3.09Å; E107-K109 VanDerWaalsContact C-N 3.29Å; E107-K109 PolarHBondContact O-N 3.23Å; E107-S110 PolarHBondContact O-N 3.39Å; E107-S110 PolarHBondContact O-OG 2.98Å; E107-V111 VanDerWaalsContact O-CG2 3.26Å; E107-V111 WeakPolarHBondContact O-CG2 3.49Å; E107-V111 PolarHBondContact O-N 2.87Å
108M80.8Confident89.9Confident26 Ų2664.9 Ų64.913%0.12833%0.326CS..Hα-helixtrans-67.2-29.2178.6-68.3-57.6-65.800113.2F95 K99 A103 N104 E105 S106F95-M108 HydrophobicContact CD2-CE 3.63Å; F95-M108 HydrophobicContact CE2-CE 3.31Å; F95-M108 HydrophobicContact CZ-CE 4.47Å; K99-M108 HydrophobicContact CB-CE 4.33Å; A103-M108 HydrophobicContact CB-CG 4.04Å; A103-M108 HydrophobicContact CB-SD 3.78Å; N104-M108 WeakPolarHBondContact O-CG 3.3Å; N104-M108 PolarHBondContact O-N 2.95Å; E105-M108 PolarHBondContact O-N 2.97Å; S106-M108 VanDerWaalsContact C-N 3.34Å
109K83.3Confident90Very high148 Ų14862 Ų6264%0.64331%0.311SS*.Hα-helixtrans-74.4-27.9177.2-78.3174.1-177.4165.40112.9E105 S106 E107E105-K109 WeakPolarHBondContact O-CG 3.31Å; E105-K109 PolarHBondContact O-N 3.35Å; E105-K109 WeakPolarHBondContact OE1-CE 3.43Å; E105-K109 IonicContact OE1-NZ 3.65Å; E105-K109 PolarHBondContact OE1-NZ 3.47Å; S106-K109 PolarHBondContact O-N 3.45Å; E107-K109 VanDerWaalsContact C-N 3.29Å; E107-K109 PolarHBondContact O-N 3.23Å
110S84.2Confident90.3Very high75 Ų7559 Ų5952%0.52430%0.298SS..Hα-helixtrans-82.5-18.7179.662.90000113.3S106 E107 P112S106-S110 PolarHBondContact O-N 3.4Å; E107-S110 PolarHBondContact O-N 3.39Å; E107-S110 PolarHBondContact O-OG 2.98Å; S110-P112 WeakPolarHBondContact O-CD 3.48Å
111V89.3Confident90.6Very high26 Ų2658 Ų5816%0.15829%0.292CS..SBendtrans-81.1118.3-177.8178.90000111.2L27 E107 Y115L27-V111 HydrophobicContact CD2-CG2 4.06Å; E107-V111 VanDerWaalsContact O-CG2 3.26Å; E107-V111 WeakPolarHBondContact O-CG2 3.49Å; E107-V111 PolarHBondContact O-N 2.87Å; V111-Y115 HydrophobicContact CG1-CD1 3.49Å; V111-Y115 VanDerWaalsContact CG1-CD1 3.49Å; V111-Y115 HydrophobicContact CG1-CE1 4.04Å
112P92.7Very high90.7Very high35 Ų3558.8 Ų58.823%0.22730%0.296CS..  trans-65.7145.4178.1-21.934.5000113.1S110 W114 Y115 N116S110-P112 WeakPolarHBondContact O-CD 3.48Å; P112-W114 VanDerWaalsContact C-N 3.35Å; P112-W114 HydrophobicContact CB-CG 4.36Å; P112-W114 VanDerWaalsContact CB-NE1 3.33Å; P112-W114 PolarHBondContact O-N 3.49Å; P112-Y115 WeakPolarHBondContact O-CB 3.31Å; P112-Y115 PolarHBondContact O-N 2.94Å; P112-Y115 VanDerWaalsContact O-N 3.08Å; P112-N116 PolarHBondContact O-N 3.28Å
113W92.9Very high91Very high160 Ų16058 Ų5861%0.60629%0.292SS*.Hα-helixtrans-57.9-42179.2-89102.9000114.3W92 F95 Y115 N116 H117W92-W113 HydrophobicContact CH2-CE3 4.38Å; W92-W113 AromaticContact CH2-CZ3 3.87Å; W92-W113 HydrophobicContact CH2-CZ3 3.87Å; W92-W113 AromaticContact CZ3-CZ3 3.89Å; W92-W113 HydrophobicContact CZ3-CZ3 3.89Å; F95-W113 AromaticContact CE1-CH2 3.62Å; F95-W113 HydrophobicContact CE1-CH2 3.62Å; F95-W113 HydrophobicContact CE1-CZ2 4.42Å; F95-W113 HydrophobicContact CE1-CZ3 4.2Å; F95-W113 AromaticContact CZ-CH2 3.61Å; F95-W113 HydrophobicContact CZ-CH2 3.61Å; F95-W113 HydrophobicContact CZ-CZ2 4.12Å; F95-W113 HydrophobicContact CZ-CZ3 4.11Å; W113-Y115 PolarHBondContact O-N 2.92Å; W113-N116 PolarHBondContact O-N 3.33Å; W113-H117 PolarHBondContact O-CD2 2.71Å; W113-H117 PolarHBondContact O-N 3.35Å
114W96.1Very high91.5Very high119 Ų11957.9 Ų57.945%0.45129%0.289SS..Hα-helixtrans-61.7-34.8178.768.7-99.3000111.5Y19 I20 Y23 P112 H117 A118Y19-W114 HydrophobicContact CE1-CH2 4.42Å; I20-W114 HydrophobicContact CD1-CZ3 4.11Å; Y23-W114 AromaticContact CD1-CH2 3.87Å; Y23-W114 HydrophobicContact CD1-CH2 3.87Å; Y23-W114 HydrophobicContact CD1-CZ2 4.35Å; Y23-W114 HydrophobicContact CD2-CH2 4.05Å; Y23-W114 HydrophobicContact CD2-CZ2 4.36Å; Y23-W114 AromaticContact CE1-CH2 3.74Å; Y23-W114 HydrophobicContact CE1-CH2 3.74Å; Y23-W114 AromaticContact CE1-CZ2 3.75Å; Y23-W114 HydrophobicContact CE1-CZ2 3.75Å; Y23-W114 AromaticContact CE2-CH2 3.94Å; Y23-W114 HydrophobicContact CE2-CH2 3.94Å; Y23-W114 AromaticContact CE2-CZ2 3.79Å; Y23-W114 HydrophobicContact CE2-CZ2 3.79Å; Y23-W114 HydrophobicContact CG-CH2 4.02Å; Y23-W114 AromaticContact CZ-CH2 3.79Å; Y23-W114 AromaticContact CZ-CZ2 3.45Å; Y23-W114 VanDerWaalsContact CZ-CZ2 3.45Å; P112-W114 VanDerWaalsContact C-N 3.35Å; P112-W114 HydrophobicContact CB-CG 4.36Å; P112-W114 VanDerWaalsContact CB-NE1 3.33Å; P112-W114 PolarHBondContact O-N 3.49Å; W114-H117 PolarHBondContact O-N 3.44Å; W114-A118 HydrophobicContact CE3-CB 4.47Å; W114-A118 WeakPolarHBondContact O-CB 3.33Å; W114-A118 PolarHBondContact O-N 2.92Å
115Y95.7Very high92.1Very high13 Ų1356.1 Ų56.15%0.05128%0.283CS..Hα-helixtrans-70.1-40.5179.2171.7-92.8000110.9I20 Y23 T24 L27 V111 P112 W113 H117 A118 C119I20-Y115 HydrophobicContact CG2-CE2 4.12Å; Y23-Y115 AromaticContact CD1-CD2 3.36Å; Y23-Y115 HydrophobicContact CD1-CD2 3.36Å; Y23-Y115 AromaticContact CD1-CE2 3.61Å; Y23-Y115 HydrophobicContact CD1-CE2 3.61Å; Y23-Y115 HydrophobicContact CD1-CG 4.22Å; Y23-Y115 AromaticContact CE1-CD2 3.67Å; Y23-Y115 HydrophobicContact CE1-CD2 3.67Å; Y23-Y115 HydrophobicContact CE1-CE2 4.22Å; Y23-Y115 HydrophobicContact CE1-CG 4.08Å; Y23-Y115 HydrophobicContact CG-CD2 4.48Å; T24-Y115 WeakPolarHBondContact CB-OH 3.37Å; T24-Y115 WeakPolarHBondContact CG2-OH 3.15Å; T24-Y115 PolarHBondContact OG1-OH 3.48Å; L27-Y115 HydrophobicContact CD2-CD1 4.45Å; L27-Y115 HydrophobicContact CD2-CE1 4.12Å; V111-Y115 HydrophobicContact CG1-CD1 3.49Å; V111-Y115 VanDerWaalsContact CG1-CD1 3.49Å; V111-Y115 HydrophobicContact CG1-CE1 4.04Å; P112-Y115 WeakPolarHBondContact O-CB 3.31Å; P112-Y115 PolarHBondContact O-N 2.94Å; P112-Y115 VanDerWaalsContact O-N 3.08Å; W113-Y115 PolarHBondContact O-N 2.92Å; Y115-H117 VanDerWaalsContact C-N 3.29Å; Y115-H117 PolarHBondContact O-N 2.99Å; Y115-A118 WeakPolarHBondContact O-CB 3.4Å; Y115-A118 PolarHBondContact O-N 3.47Å; Y115-C119 WeakPolarHBondContact CE2-SG 3.18Å; Y115-C119 PolarHBondContact O-N 3.26Å; Y115-C119 PolarHBondContact O-SG 3.39Å
116N95.2Very high92.9Very high10 Ų1051.9 Ų51.95%0.05327%0.265CS..Hα-helixtrans-56.4-44.1173-81.2-40000112F91 W92 P112 W113 H120F91-N116 HydrophobicContact CZ-CB 4.42Å; W92-N116 HydrophobicContact CH2-CB 4.29Å; P112-N116 PolarHBondContact O-N 3.28Å; W113-N116 PolarHBondContact O-N 3.33Å; N116-H120 WeakPolarHBondContact O-CB 3.46Å; N116-H120 PolarHBondContact O-N 3.47Å; N116-H120 PolarHBondContact O-ND1 2.88Å
117H97.8Very high93.8Very high80 Ų8047.7 Ų47.737%0.3724%0.236SC..Hα-helixtrans-66.8-39.5173.9-77.2-63.8000113W92 W113 W114 Y115 C119 T121 I122W92-H117 AromaticContact CH2-CE1 3.77Å; W92-H117 AromaticContact CZ2-CE1 3.51Å; W92-H117 AromaticContact CZ2-ND1 3.5Å; W92-H117 WeakPolarHBondContact CZ2-ND1 3.32Å; W113-H117 PolarHBondContact O-CD2 2.71Å; W113-H117 PolarHBondContact O-N 3.35Å; W114-H117 PolarHBondContact O-N 3.44Å; Y115-H117 VanDerWaalsContact C-N 3.29Å; Y115-H117 PolarHBondContact O-N 2.99Å; H117-C119 VanDerWaalsContact C-N 3.32Å; H117-C119 PolarHBondContact O-N 3.11Å; H117-T121 PolarHBondContact ND1-OG1 3.05Å; H117-T121 VanDerWaalsContact ND1-OG1 3.11Å; H117-T121 CarbonylContact O-C 3.15Å; H117-T121 WeakPolarHBondContact O-CA 3.04Å; H117-T121 WeakPolarHBondContact O-CB 3.36Å; H117-T121 PolarHBondContact O-N 3.2Å; H117-I122 PolarHBondContact O-N 3.14Å
118A97.9Very high94.6Very high2 Ų246 Ų462%0.01723%0.23CC..Hα-helixtrans-59.3-42.8177.400000112.5F16 I20 W114 Y115 I122F16-A118 HydrophobicContact CE1-CB 4.39Å; F16-A118 HydrophobicContact CZ-CB 3.78Å; I20-A118 HydrophobicContact CD1-CB 3.59Å; I20-A118 HydrophobicContact CG1-CB 4.17Å; W114-A118 HydrophobicContact CE3-CB 4.47Å; W114-A118 WeakPolarHBondContact O-CB 3.33Å; W114-A118 PolarHBondContact O-N 2.92Å; Y115-A118 WeakPolarHBondContact O-CB 3.4Å; Y115-A118 PolarHBondContact O-N 3.47Å; A118-I122 HydrophobicContact CB-CD1 4.35Å
119C97.3Very high95.5Very high7 Ų748.7 Ų48.75%0.04724%0.243CC..Hα-helixtrans-78.5-38-178.7-66.80000113.6I20 T47 I51 Y115 H117I20-C119 VanDerWaalsContact CG2-SG 3.57Å; T47-C119 HydrophobicContact CG2-CB 3.76Å; I51-C119 HydrophobicContact CD1-CB 4.08Å; Y115-C119 WeakPolarHBondContact CE2-SG 3.18Å; Y115-C119 PolarHBondContact O-N 3.26Å; Y115-C119 PolarHBondContact O-SG 3.39Å; H117-C119 VanDerWaalsContact C-N 3.32Å; H117-C119 PolarHBondContact O-N 3.11Å
120H97.7Very high96.2Very high19 Ų1941.7 Ų41.79%0.08821%0.213CC..Hα-helixtrans-112.4-21.9-167.2-53.998.5000114.1T47 C88 F91 N116T47-H120 VanDerWaalsContact CG2-NE2 3.29Å; T47-H120 WeakPolarHBondContact CG2-NE2 3.44Å; T47-H120 PolarHBondContact OG1-CD2 3.39Å; T47-H120 PolarHBondContact OG1-NE2 3.47Å; C88-H120 WeakPolarHBondContact CA-O 3.33Å; C88-H120 WeakPolarHBondContact CB-O 3.47Å; C88-H120 PolarHBondContact SG-O 3.47Å; C88-H120 VanDerWaalsContact SG-O 3.42Å; F91-H120 HydrophobicContact CB-CB 4.15Å; F91-H120 HydrophobicContact CD1-CB 3.51Å; F91-H120 AromaticContact CD1-CD2 3.79Å; F91-H120 AromaticContact CD1-CG 3.38Å; F91-H120 AromaticContact CD1-ND1 3.71Å; F91-H120 AromaticContact CD2-CD2 3.37Å; F91-H120 WeakPolarHBondContact CD2-CD2 3.43Å; F91-H120 AromaticContact CD2-CE1 3.55Å; F91-H120 AromaticContact CD2-CG 3.76Å; F91-H120 AromaticContact CD2-ND1 3.87Å; F91-H120 AromaticContact CD2-NE2 3.25Å; F91-H120 VanDerWaalsContact CD2-NE2 3.25Å; F91-H120 WeakPolarHBondContact CD2-NE2 3.45Å; F91-H120 HydrophobicContact CE1-CB 4.05Å; F91-H120 AromaticContact CE1-CG 3.73Å; F91-H120 AromaticContact CE1-ND1 3.54Å; F91-H120 AromaticContact CE2-CD2 3.96Å; F91-H120 AromaticContact CE2-CE1 3.31Å; F91-H120 WeakPolarHBondContact CE2-CE1 3.34Å; F91-H120 AromaticContact CE2-ND1 3.69Å; F91-H120 AromaticContact CE2-NE2 3.51Å; F91-H120 HydrophobicContact CG-CB 3.86Å; F91-H120 AromaticContact CG-CD2 3.26Å; F91-H120 WeakPolarHBondContact CG-CD2 3.37Å; F91-H120 AromaticContact CG-CG 3.39Å; F91-H120 AromaticContact CG-ND1 3.87Å; F91-H120 AromaticContact CG-NE2 3.7Å; F91-H120 AromaticContact CZ-CE1 3.58Å; F91-H120 AromaticContact CZ-ND1 3.52Å; N116-H120 WeakPolarHBondContact O-CB 3.46Å; N116-H120 PolarHBondContact O-N 3.47Å; N116-H120 PolarHBondContact O-ND1 2.88Å
121T98.3Very high96.8Very high41 Ų4138.1 Ų38.125%0.25219%0.188SC..THydrogen-bonded Turntrans-106.9-53.8-177.7-53.60000111.9W92 H117 G123 T124 P125W92-T121 PolarHBondContact NE1-OG1 2.86Å; H117-T121 PolarHBondContact ND1-OG1 3.05Å; H117-T121 VanDerWaalsContact ND1-OG1 3.11Å; H117-T121 CarbonylContact O-C 3.15Å; H117-T121 WeakPolarHBondContact O-CA 3.04Å; H117-T121 WeakPolarHBondContact O-CB 3.36Å; H117-T121 PolarHBondContact O-N 3.2Å; T121-G123 VanDerWaalsContact C-N 3.27Å; T121-G123 PolarHBondContact O-N 2.98Å; T121-G123 VanDerWaalsContact O-N 3.14Å; T121-T124 PolarHBondContact O-N 3.43Å; T121-P125 WeakPolarHBondContact O-CD 3.44Å
122I98.2Very high97.1Very high64 Ų6440.8 Ų40.833%0.32820%0.201SC..THydrogen-bonded Turntrans-60.7-30.3-164.2-68.8-175.9000113.6F16 F17 H117 A118 T124 P125 A126F16-I122 HydrophobicContact CE1-CB 4.45Å; F16-I122 HydrophobicContact CE1-CD1 4.37Å; F16-I122 HydrophobicContact CE1-CG2 3.86Å; F16-I122 HydrophobicContact CZ-CD1 3.88Å; F16-I122 HydrophobicContact CZ-CG2 4.36Å; F17-I122 HydrophobicContact CZ-CG2 4.48Å; H117-I122 PolarHBondContact O-N 3.14Å; A118-I122 HydrophobicContact CB-CD1 4.35Å; I122-T124 VanDerWaalsContact C-N 3.28Å; I122-T124 PolarHBondContact O-N 3.17Å; I122-P125 WeakPolarHBondContact O-CD 3.44Å; I122-P125 WeakPolarHBondContact O-CG 3.3Å; I122-A126 WeakPolarHBondContact O-CB 3.44Å; I122-A126 PolarHBondContact O-N 2.91Å
123G98.5Very high97.3Very high2 Ų241.4 Ų41.42%0.02120%0.202CC..Hα-helixtrans-56.6-38.8178.200000114N84 T121 I127N84-G123 WeakPolarHBondContact OD1-CA 3.27Å; T121-G123 VanDerWaalsContact C-N 3.27Å; T121-G123 PolarHBondContact O-N 2.98Å; T121-G123 VanDerWaalsContact O-N 3.14Å; G123-I127 VanDerWaalsContact O-CG2 3.3Å; G123-I127 WeakPolarHBondContact O-CG2 3.5Å; G123-I127 PolarHBondContact O-N 2.93Å
124T98.5Very high97.3Very high18 Ų1835.1 Ų35.111%0.1118%0.178CC..Hα-helixtrans-66.4-56.3-179.8-64.60000113.5F81 N84 L85 T121 I122 A126 I127 I128F81-T124 HydrophobicContact CE2-CG2 4.05Å; N84-T124 PolarHBondContact O-OG1 3.18Å; L85-T124 HydrophobicContact CD1-CG2 4.21Å; T121-T124 PolarHBondContact O-N 3.43Å; I122-T124 VanDerWaalsContact C-N 3.28Å; I122-T124 PolarHBondContact O-N 3.17Å; T124-A126 VanDerWaalsContact C-N 3.33Å; T124-A126 PolarHBondContact O-N 2.86Å; T124-I127 VanDerWaalsContact O-CG2 3.32Å; T124-I127 WeakPolarHBondContact O-CG2 3.14Å; T124-I127 PolarHBondContact O-N 3.31Å; T124-I128 HydrophobicContact CG2-CD1 4.03Å; T124-I128 WeakPolarHBondContact O-CD1 3.44Å; T124-I128 VanDerWaalsContact O-CG1 3.27Å; T124-I128 WeakPolarHBondContact O-CG1 3.45Å; T124-I128 PolarHBondContact O-N 3.35Å; T124-I128 VanDerWaalsContact O-N 3.11Å
125P98.3Very high97.2Very high60 Ų6032.5 Ų32.539%0.3917%0.168SC..Hα-helixtrans-64.2-36.7174.924.8-31.7000112.2T121 I122 I127 I128 I129T121-P125 WeakPolarHBondContact O-CD 3.44Å; I122-P125 WeakPolarHBondContact O-CD 3.44Å; I122-P125 WeakPolarHBondContact O-CG 3.3Å; P125-I127 VanDerWaalsContact C-N 3.35Å; P125-I127 PolarHBondContact O-N 3.48Å; P125-I128 PolarHBondContact O-N 3.26Å; P125-I129 VanDerWaalsContact O-CG1 3.3Å; P125-I129 WeakPolarHBondContact O-CG1 3.31Å; P125-I129 PolarHBondContact O-N 3.11Å
126A98.4Very high97.1Very high12 Ų1231.9 Ų31.910%0.09917%0.166CC..Hα-helixtrans-60.2-42.8178.900000112.3H9 Y58 I122 T124 I129 D130H9-A126 PolarHBondContact NE2-O 3.27Å; Y58-A126 VanDerWaalsContact OH-C 3.22Å; Y58-A126 PolarHBondContact OH-O 3.06Å; I122-A126 WeakPolarHBondContact O-CB 3.44Å; I122-A126 PolarHBondContact O-N 2.91Å; T124-A126 VanDerWaalsContact C-N 3.33Å; T124-A126 PolarHBondContact O-N 2.86Å; A126-I129 PolarHBondContact O-N 3.12Å; A126-D130 PolarHBondContact O-N 2.92Å
127I98.3Very high97Very high0 Ų033.6 Ų33.60%018%0.177CC..Hα-helixtrans-76.5-29.9178.9-161.8156.4000112.5Y57 Y58 Y77 A80 F81 G123 T124 P125 D130 A131Y57-I127 HydrophobicContact CD1-CD1 4.29Å; Y57-I127 HydrophobicContact CE1-CD1 4.17Å; Y57-I127 HydrophobicContact CE1-CG1 4.31Å; Y58-I127 PolarHBondContact OH-N 2.81Å; Y77-I127 HydrophobicContact CD2-CD1 4.1Å; Y77-I127 HydrophobicContact CD2-CG1 3.67Å; Y77-I127 HydrophobicContact CE2-CD1 4.4Å; Y77-I127 HydrophobicContact CE2-CG1 3.64Å; A80-I127 HydrophobicContact CB-CD1 3.34Å; F81-I127 HydrophobicContact CB-CD1 4.25Å; F81-I127 HydrophobicContact CB-CG1 4.46Å; F81-I127 HydrophobicContact CB-CG2 4Å; F81-I127 HydrophobicContact CD2-CG2 3.49Å; F81-I127 VanDerWaalsContact CD2-CG2 3.49Å; F81-I127 HydrophobicContact CE2-CG2 4.4Å; F81-I127 HydrophobicContact CG-CG2 4.12Å; G123-I127 VanDerWaalsContact O-CG2 3.3Å; G123-I127 WeakPolarHBondContact O-CG2 3.5Å; G123-I127 PolarHBondContact O-N 2.93Å; T124-I127 VanDerWaalsContact O-CG2 3.32Å; T124-I127 WeakPolarHBondContact O-CG2 3.14Å; T124-I127 PolarHBondContact O-N 3.31Å; P125-I127 VanDerWaalsContact C-N 3.35Å; P125-I127 PolarHBondContact O-N 3.48Å; I127-D130 PolarHBondContact O-N 3.3Å; I127-A131 PolarHBondContact O-N 3.31Å
128I98.3Very high96.8Very high50 Ų5034.7 Ų34.726%0.25618%0.184SC..Hα-helixtrans-61.7-45.3169.7-72.1166.5000110.8F81 T124 P125 D130 A131 L132 M203F81-I128 HydrophobicContact CD2-CG1 4.42Å; F81-I128 HydrophobicContact CE2-CD1 3.92Å; F81-I128 HydrophobicContact CE2-CG1 3.74Å; F81-I128 HydrophobicContact CZ-CD1 4.28Å; F81-I128 HydrophobicContact CZ-CG1 4.16Å; T124-I128 HydrophobicContact CG2-CD1 4.03Å; T124-I128 WeakPolarHBondContact O-CD1 3.44Å; T124-I128 VanDerWaalsContact O-CG1 3.27Å; T124-I128 WeakPolarHBondContact O-CG1 3.45Å; T124-I128 PolarHBondContact O-N 3.35Å; T124-I128 VanDerWaalsContact O-N 3.11Å; P125-I128 PolarHBondContact O-N 3.26Å; I128-D130 VanDerWaalsContact C-N 3.32Å; I128-D130 PolarHBondContact O-N 2.83Å; I128-A131 WeakPolarHBondContact O-CB 3.32Å; I128-A131 PolarHBondContact O-N 2.97Å; I128-L132 HydrophobicContact CG2-CD1 4.09Å; I128-L132 HydrophobicContact CG2-CG 4.49Å; I128-L132 WeakPolarHBondContact O-CG 3.31Å; I128-L132 PolarHBondContact O-N 3.02Å; I128-M203 HydrophobicContact CG2-CE 3.87Å
129I98Very high96.4Very high82 Ų8235.6 Ų35.642%0.42119%0.19SC..Hα-helixtrans-59.6-44.2176.7-68.6165.2000110.4P125 A126 A131 L132 L133P125-I129 VanDerWaalsContact O-CG1 3.3Å; P125-I129 WeakPolarHBondContact O-CG1 3.31Å; P125-I129 PolarHBondContact O-N 3.11Å; A126-I129 PolarHBondContact O-N 3.12Å; I129-A131 VanDerWaalsContact C-N 3.33Å; I129-A131 PolarHBondContact O-N 3.1Å; I129-L132 WeakPolarHBondContact O-CB 3.49Å; I129-L132 PolarHBondContact O-N 3.43Å; I129-L132 VanDerWaalsContact O-N 3.15Å; I129-L133 HydrophobicContact CG2-CD1 4.03Å; I129-L133 HydrophobicContact CG2-CG 4.44Å; I129-L133 WeakPolarHBondContact O-CG 3.3Å; I129-L133 PolarHBondContact O-N 2.93Å
130D97.9Very high95.9Very high0 Ų038.7 Ų38.70%021%0.209CC..Hα-helixtrans-61.5-41.5177.3-174.758000112R10 Y57 Y58 A126 I127 I128 L132 L133 W134R10-D130 IonicContact CZ-OD1 3.49Å; R10-D130 IonicContact NE-OD1 3.51Å; R10-D130 PolarHBondContact NE-OD1 3.32Å; R10-D130 IonicContact NE-OD2 2.86Å; R10-D130 IonicContact NH2-OD1 3.3Å; R10-D130 PolarHBondContact NH2-OD1 2.89Å; R10-D130 IonicContact NH2-OD2 3.95Å; Y57-D130 WeakPolarHBondContact CE1-OD2 3.42Å; Y57-D130 PolarHBondContact OH-OD2 2.85Å; Y58-D130 HydrophobicContact CE1-CB 4.4Å; A126-D130 PolarHBondContact O-N 2.92Å; I127-D130 PolarHBondContact O-N 3.3Å; I128-D130 VanDerWaalsContact C-N 3.32Å; I128-D130 PolarHBondContact O-N 2.83Å; D130-L132 VanDerWaalsContact C-N 3.32Å; D130-L132 PolarHBondContact O-N 2.89Å; D130-L133 PolarHBondContact O-N 3.31Å; D130-W134 PolarHBondContact O-N 2.83Å
131A97.3Very high95.5Very high0 Ų041.2 Ų41.20%022%0.223CC..Hα-helixtrans-62.9-36.6174.400000113.3Y77 I127 I128 I129 L133 R135 P136 L207Y77-A131 HydrophobicContact CD2-CB 4.33Å; Y77-A131 HydrophobicContact CE1-CB 4.47Å; Y77-A131 HydrophobicContact CE2-CB 3.48Å; Y77-A131 VanDerWaalsContact CE2-CB 3.48Å; Y77-A131 WeakPolarHBondContact OH-CB 3.3Å; I127-A131 PolarHBondContact O-N 3.31Å; I128-A131 WeakPolarHBondContact O-CB 3.32Å; I128-A131 PolarHBondContact O-N 2.97Å; I129-A131 VanDerWaalsContact C-N 3.33Å; I129-A131 PolarHBondContact O-N 3.1Å; A131-L133 VanDerWaalsContact C-N 3.32Å; A131-R135 WeakPolarHBondContact O-CA 3.31Å; A131-R135 PolarHBondContact O-N 3.22Å; A131-P136 HydrophobicContact CB-CG 3.97Å; A131-L207 HydrophobicContact CB-CD1 3.84Å
132L96.4Very high95Very high82 Ų8242.9 Ų42.943%0.42924%0.236SC..Hα-helixtrans-67.2-34.9176.6-70.6169.8000112.2I128 I129 D130 R135 L207I128-L132 HydrophobicContact CG2-CD1 4.09Å; I128-L132 HydrophobicContact CG2-CG 4.49Å; I128-L132 WeakPolarHBondContact O-CG 3.31Å; I128-L132 PolarHBondContact O-N 3.02Å; I129-L132 WeakPolarHBondContact O-CB 3.49Å; I129-L132 PolarHBondContact O-N 3.43Å; I129-L132 VanDerWaalsContact O-N 3.15Å; D130-L132 VanDerWaalsContact C-N 3.32Å; D130-L132 PolarHBondContact O-N 2.89Å; L132-R135 PolarHBondContact O-NH2 3.38Å; L132-L207 HydrophobicContact CD2-CD2 3.65Å
133L95.6Very high94.5Very high49 Ų4943.2 Ų43.226%0.25724%0.239SC..Hα-helixtrans-76.4-46.8-179.3-68.7174000112.6L5 S6 H9 I129 D130 A131L5-L133 HydrophobicContact CB-CD2 4.12Å; S6-L133 WeakPolarHBondContact OG-CB 3.44Å; H9-L133 HydrophobicContact CB-CD1 3.87Å; I129-L133 HydrophobicContact CG2-CD1 4.03Å; I129-L133 HydrophobicContact CG2-CG 4.44Å; I129-L133 WeakPolarHBondContact O-CG 3.3Å; I129-L133 PolarHBondContact O-N 2.93Å; D130-L133 PolarHBondContact O-N 3.31Å; A131-L133 VanDerWaalsContact C-N 3.32Å
134W94Very high94Very high28 Ų2843.2 Ų43.211%0.10624%0.239CC..Hα-helixtrans-95.5-31.7-175.4155.666.1000114.5Q65 H73 S74 D130 P136Q65-W134 VanDerWaalsContact OE1-CD1 3.25Å; H73-W134 HydrophobicContact CB-CH2 3.93Å; H73-W134 HydrophobicContact CB-CZ2 4.02Å; H73-W134 AromaticContact CD2-CH2 3.72Å; H73-W134 AromaticContact CD2-CZ3 3.83Å; H73-W134 AromaticContact CE1-CD2 3.46Å; H73-W134 VanDerWaalsContact CE1-CD2 3.46Å; H73-W134 AromaticContact CE1-CE2 3.56Å; H73-W134 AromaticContact CE1-CE3 3.51Å; H73-W134 AromaticContact CE1-CH2 3.65Å; H73-W134 AromaticContact CE1-CZ2 3.7Å; H73-W134 AromaticContact CE1-CZ3 3.57Å; H73-W134 AromaticContact CG-CH2 3.44Å; H73-W134 VanDerWaalsContact CG-CH2 3.44Å; H73-W134 AromaticContact CG-CZ2 3.64Å; H73-W134 AromaticContact CG-CZ3 3.99Å; H73-W134 AromaticContact ND1-CD2 3.82Å; H73-W134 AromaticContact ND1-CE2 3.39Å; H73-W134 AromaticContact ND1-CH2 3.43Å; H73-W134 WeakPolarHBondContact ND1-CH2 3.1Å; H73-W134 AromaticContact ND1-CZ2 3.22Å; H73-W134 WeakPolarHBondContact ND1-CZ2 3.47Å; H73-W134 AromaticContact ND1-CZ3 3.87Å; H73-W134 AromaticContact ND1-NE1 3.93Å; H73-W134 AromaticContact NE2-CE3 3.78Å; H73-W134 AromaticContact NE2-CH2 3.82Å; H73-W134 AromaticContact NE2-CZ3 3.54Å; S74-W134 VanDerWaalsContact OG-CH2 3.25Å; S74-W134 WeakPolarHBondContact OG-CH2 3.29Å; D130-W134 PolarHBondContact O-N 2.83Å; W134-P136 HydrophobicContact CE3-CB 4.07Å; W134-P136 HydrophobicContact CE3-CG 3.73Å; W134-P136 HydrophobicContact CH2-CB 3.56Å; W134-P136 HydrophobicContact CH2-CG 4.1Å; W134-P136 HydrophobicContact CZ2-CB 4.33Å; W134-P136 VanDerWaalsContact CZ3-CA 3.46Å; W134-P136 HydrophobicContact CZ3-CB 3.39Å; W134-P136 HydrophobicContact CZ3-CG 3.38Å
135R93.1Very high93.7Very high63 Ų6345.9 Ų45.924%0.23825%0.251CS..  trans63.591.7-174.5-53.7-177.5-176-71.5-19.7112.6A131 L132 Q211A131-R135 WeakPolarHBondContact O-CA 3.31Å; A131-R135 PolarHBondContact O-N 3.22Å; L132-R135 PolarHBondContact O-NH2 3.38Å; R135-Q211 VanDerWaalsContact CD-OE1 3.26Å
136P93.8Very high93.5Very high0 Ų048.7 Ų48.70%026%0.263CS..PPolyproline II helixtrans-56.7140.7-179.9-17.425000112.4Y77 A131 W134 V204 N208Y77-P136 HydrophobicContact CD1-CB 4.08Å; Y77-P136 HydrophobicContact CD1-CG 3.69Å; Y77-P136 HydrophobicContact CD2-CG 4.31Å; Y77-P136 HydrophobicContact CE1-CG 3.85Å; Y77-P136 HydrophobicContact CE2-CG 4.46Å; Y77-P136 HydrophobicContact CG-CB 4.46Å; Y77-P136 HydrophobicContact CG-CG 3.93Å; A131-P136 HydrophobicContact CB-CG 3.97Å; W134-P136 HydrophobicContact CE3-CB 4.07Å; W134-P136 HydrophobicContact CE3-CG 3.73Å; W134-P136 HydrophobicContact CH2-CB 3.56Å; W134-P136 HydrophobicContact CH2-CG 4.1Å; W134-P136 HydrophobicContact CZ2-CB 4.33Å; W134-P136 VanDerWaalsContact CZ3-CA 3.46Å; W134-P136 HydrophobicContact CZ3-CB 3.39Å; W134-P136 HydrophobicContact CZ3-CG 3.38Å; P136-V204 HydrophobicContact CB-CG1 4.29Å; P136-V204 HydrophobicContact CB-CG2 4.06Å; P136-V204 HydrophobicContact CG-CG2 4.3Å; P136-N208 PolarHBondContact O-ND2 2.71Å
137T93.8Very high93.2Very high46 Ų4651.1 Ų51.128%0.28227%0.271SS..PPolyproline II helixtrans-70.8148.9172.958.70000111.3F70 S74 V139F70-T137 HydrophobicContact CB-CG2 3.81Å; F70-T137 HydrophobicContact CG-CG2 4.37Å; S74-T137 VanDerWaalsContact CB-O 3.26Å; S74-T137 WeakPolarHBondContact CB-O 3.37Å; S74-T137 PolarHBondContact OG-N 3.27Å; S74-T137 PolarHBondContact OG-O 3Å; S74-T137 PolarHBondContact OG-OG1 3.35Å; T137-V139 PolarHBondContact O-N 3.39Å
138I93.9Very high93.1Very high103 Ų10352 Ų5253%0.52828%0.275SS..PPolyproline II helixtrans-68.7124.7172.4-60.4173.1000108.4V204 N208I138-V204 HydrophobicContact CG1-CG1 4.22Å; I138-N208 HydrophobicContact CD1-CB 3.94Å; I138-N208 HydrophobicContact CG1-CB 4.13Å
139V89.4Confident93Very high22 Ų2255.1 Ų55.113%0.13329%0.292CS..  trans-115.2153.1175.7-66.60000110.9K71 T137 I141K71-V139 HydrophobicContact CB-CG1 4.13Å; K71-V139 HydrophobicContact CG-CG1 4.35Å; T137-V139 PolarHBondContact O-N 3.39Å; V139-I141 PolarHBondContact O-N 3.42Å
140P87.2Confident92.9Very high71 Ų7154.4 Ų54.446%0.46130%0.299SS..  trans-56.1134.5168.3-23.134.2000110.6S142 N143P140-S142 PolarHBondContact O-N 3.02Å; P140-N143 PolarHBondContact O-N 2.9Å
141I88.7Confident92.9Very high72 Ų7255.9 Ų55.937%0.36930%0.304SS..Hα-helixtrans-58.6-33.9-177.3-57.1-178.2000110.9V139 N143 S144 I145 F197V139-I141 PolarHBondContact O-N 3.42Å; I141-N143 VanDerWaalsContact C-N 3.26Å; I141-N143 PolarHBondContact O-N 3.32Å; I141-S144 PolarHBondContact O-N 3.24Å; I141-S144 VanDerWaalsContact O-N 3.16Å; I141-I145 HydrophobicContact CG2-CD1 3.64Å; I141-I145 HydrophobicContact CG2-CG1 4.01Å; I141-I145 WeakPolarHBondContact O-CG1 3.09Å; I141-I145 PolarHBondContact O-N 2.97Å; I141-F197 HydrophobicContact CG2-CE1 3.52Å; I141-F197 HydrophobicContact CG2-CZ 3.7Å
142S87.8Confident92.9Very high76 Ų7657 Ų5753%0.53131%0.309SS..Hα-helixtrans-53-39.3178.454.30000113.6P140 I145 L146P140-S142 PolarHBondContact O-N 3.02Å; S142-I145 PolarHBondContact O-N 3.48Å; S142-L146 PolarHBondContact O-N 3.42Å
143N86.5Confident93Very high72 Ų7254.4 Ų54.439%0.38530%0.302SS..Hα-helixtrans-68.2-42.1-178.1-6813.9000111.1P140 I141 F147P140-N143 PolarHBondContact O-N 2.9Å; I141-N143 VanDerWaalsContact C-N 3.26Å; I141-N143 PolarHBondContact O-N 3.32Å; N143-F147 WeakPolarHBondContact O-CD2 3.23Å
144S89.4Confident93Very high2 Ų253.7 Ų53.71%0.01431%0.307CS..Hα-helixtrans-71-34.1176.8-61.20000112.2I141 L146 F147 L148I141-S144 PolarHBondContact O-N 3.24Å; I141-S144 VanDerWaalsContact O-N 3.16Å; S144-L146 VanDerWaalsContact C-N 3.33Å; S144-L146 PolarHBondContact O-N 2.96Å; S144-F147 PolarHBondContact O-N 3.09Å; S144-L148 WeakPolarHBondContact O-CG 3.21Å; S144-L148 PolarHBondContact O-N 3.48Å
145I92Very high93.2Very high73 Ų7353.4 Ų53.437%0.37431%0.306SS..Hα-helixtrans-60.7-42.7175.6-73169000111I141 S142 F147 L148 L149 F197I141-I145 HydrophobicContact CG2-CD1 3.64Å; I141-I145 HydrophobicContact CG2-CG1 4.01Å; I141-I145 WeakPolarHBondContact O-CG1 3.09Å; I141-I145 PolarHBondContact O-N 2.97Å; S142-I145 PolarHBondContact O-N 3.48Å; I145-F147 VanDerWaalsContact C-N 3.33Å; I145-F147 PolarHBondContact O-N 3.4Å; I145-L148 PolarHBondContact O-N 2.76Å; I145-L149 HydrophobicContact CG2-CD1 3.76Å; I145-L149 HydrophobicContact CG2-CG 4.07Å; I145-L149 WeakPolarHBondContact O-CB 3.35Å; I145-L149 WeakPolarHBondContact O-CG 3.46Å; I145-L149 PolarHBondContact O-N 3.17Å; I145-F197 HydrophobicContact CG1-CE1 4.05Å; I145-F197 HydrophobicContact CG1-CZ 4.47Å
146L93.2Very high93.4Very high120 Ų12052.6 Ų52.663%0.62831%0.306SS*.Hα-helixtrans-58.1-45.9177.8179.461.8000111.8S142 S144 L148 L149 A150S142-L146 PolarHBondContact O-N 3.42Å; S144-L146 VanDerWaalsContact C-N 3.33Å; S144-L146 PolarHBondContact O-N 2.96Å; L146-L148 PolarHBondContact O-N 3.48Å; L146-L149 PolarHBondContact O-N 3.43Å; L146-A150 WeakPolarHBondContact O-CB 3.38Å; L146-A150 PolarHBondContact O-N 3.25Å
147F93.7Very high93.5Very high62 Ų6258.6 Ų58.627%0.27234%0.337SS..Hα-helixtrans-63-40.5176.3-75.6-61.2000112.6M72 L79 N143 S144 I145 Y151M72-F147 HydrophobicContact CE-CE1 4.05Å; M72-F147 HydrophobicContact CE-CE2 4.48Å; M72-F147 HydrophobicContact CE-CZ 3.58Å; M72-F147 HydrophobicContact SD-CE2 4.02Å; M72-F147 HydrophobicContact SD-CZ 3.59Å; M72-F147 VanDerWaalsContact SD-CZ 3.59Å; L79-F147 HydrophobicContact CB-CB 4.36Å; L79-F147 HydrophobicContact CD2-CB 4.07Å; N143-F147 WeakPolarHBondContact O-CD2 3.23Å; S144-F147 PolarHBondContact O-N 3.09Å; I145-F147 VanDerWaalsContact C-N 3.33Å; I145-F147 PolarHBondContact O-N 3.4Å; F147-Y151 VanDerWaalsContact O-CB 3.22Å; F147-Y151 WeakPolarHBondContact O-CB 3.22Å; F147-Y151 PolarHBondContact O-N 2.95Å
148L95.9Very high93.6Very high18 Ų1860 Ų609%0.09434%0.337CS..Hα-helixtrans-64.8-44.9176.9-72.4166.9000112.1L79 T82 S144 I145 L146 Y151 F152 F197L79-L148 HydrophobicContact CD1-CD2 3.76Å; L79-L148 HydrophobicContact CD1-CG 4.36Å; T82-L148 HydrophobicContact CG2-CD2 3.83Å; S144-L148 WeakPolarHBondContact O-CG 3.21Å; S144-L148 PolarHBondContact O-N 3.48Å; I145-L148 PolarHBondContact O-N 2.76Å; L146-L148 PolarHBondContact O-N 3.48Å; L148-Y151 PolarHBondContact O-N 2.99Å; L148-F152 HydrophobicContact CB-CD2 4.44Å; L148-F152 HydrophobicContact CD2-CD2 3.84Å; L148-F152 HydrophobicContact CD2-CE2 3.51Å; L148-F152 WeakPolarHBondContact O-CB 3Å; L148-F152 PolarHBondContact O-N 3.23Å; L148-F197 HydrophobicContact CD1-CB 3.99Å; L148-F197 HydrophobicContact CD1-CD1 3.79Å; L148-F197 HydrophobicContact CD1-CD2 3.47Å; L148-F197 VanDerWaalsContact CD1-CD2 3.47Å; L148-F197 HydrophobicContact CD1-CE1 4.08Å; L148-F197 HydrophobicContact CD1-CE2 3.79Å; L148-F197 HydrophobicContact CD1-CG 3.46Å; L148-F197 VanDerWaalsContact CD1-CG 3.46Å; L148-F197 HydrophobicContact CD1-CZ 4.08Å
149L96.1Very high93.7Very high117 Ų11755.2 Ų55.261%0.61331%0.313SS*.Iπ-helixtrans-63-45.3177.7-72.4175000111.1I145 L146 G153I145-L149 HydrophobicContact CG2-CD1 3.76Å; I145-L149 HydrophobicContact CG2-CG 4.07Å; I145-L149 WeakPolarHBondContact O-CB 3.35Å; I145-L149 WeakPolarHBondContact O-CG 3.46Å; I145-L149 PolarHBondContact O-N 3.17Å; L146-L149 PolarHBondContact O-N 3.43Å; L149-G153 WeakPolarHBondContact O-CA 3.34Å; L149-G153 PolarHBondContact O-N 3.33Å
150A96.1Very high94.1Very high67 Ų6755.3 Ų55.355%0.55431%0.312SS*.Iπ-helixtrans-61.7-45.9176.700000111.6L146 G154L146-A150 WeakPolarHBondContact O-CB 3.38Å; L146-A150 PolarHBondContact O-N 3.25Å; A150-G154 WeakPolarHBondContact O-CA 3.4Å; A150-G154 PolarHBondContact O-N 2.85Å
151Y97.5Very high94.5Very high30 Ų3057.4 Ų57.412%0.11831%0.311CS..Iπ-helixtrans-70.6-59.2-176.7-176.2-97.2000112.7L46 L49 T50 L53 L79 A83 F147 L148 Y155L46-Y151 HydrophobicContact CD1-CE1 4.13Å; L49-Y151 VanDerWaalsContact C-OH 3.29Å; L49-Y151 HydrophobicContact CD1-CE2 4.43Å; L49-Y151 HydrophobicContact CD2-CE2 3.96Å; L49-Y151 HydrophobicContact CG-CE2 3.77Å; L49-Y151 PolarHBondContact O-OH 3.48Å; T50-Y151 WeakPolarHBondContact CA-OH 3.27Å; T50-Y151 PolarHBondContact N-OH 3.41Å; T50-Y151 VanDerWaalsContact N-OH 3.14Å; T50-Y151 PolarHBondContact OG1-OH 3.48Å; L53-Y151 HydrophobicContact CB-CE2 4.13Å; L53-Y151 HydrophobicContact CD2-CD2 4.34Å; L53-Y151 HydrophobicContact CD2-CE1 4.38Å; L53-Y151 HydrophobicContact CD2-CE2 3.83Å; L53-Y151 HydrophobicContact CG-CE2 4.44Å; L79-Y151 HydrophobicContact CD1-CD1 4.09Å; L79-Y151 HydrophobicContact CD1-CG 3.95Å; A83-Y151 HydrophobicContact CB-CE1 4.02Å; F147-Y151 VanDerWaalsContact O-CB 3.22Å; F147-Y151 WeakPolarHBondContact O-CB 3.22Å; F147-Y151 PolarHBondContact O-N 2.95Å; L148-Y151 PolarHBondContact O-N 2.99Å; Y151-Y155 WeakPolarHBondContact O-CB 3.39Å; Y151-Y155 PolarHBondContact O-N 2.87Å
152F97.7Very high94.8Very high25 Ų2554.8 Ų54.811%0.1130%0.298CS..Iπ-helixtrans-77.5-39.7-176.6-69.4-70.6000112.5L46 T82 A83 I86 L148 Y155 L156 T193L46-F152 HydrophobicContact CD1-CE1 4.46Å; L46-F152 HydrophobicContact CD2-CE1 4.47Å; T82-F152 HydrophobicContact CG2-CE2 4.27Å; A83-F152 HydrophobicContact CB-CZ 4.11Å; I86-F152 HydrophobicContact CG2-CE1 3.83Å; I86-F152 HydrophobicContact CG2-CZ 3.74Å; L148-F152 HydrophobicContact CB-CD2 4.44Å; L148-F152 HydrophobicContact CD2-CD2 3.84Å; L148-F152 HydrophobicContact CD2-CE2 3.51Å; L148-F152 WeakPolarHBondContact O-CB 3Å; L148-F152 PolarHBondContact O-N 3.23Å; F152-Y155 PolarHBondContact O-N 3.2Å; F152-L156 WeakPolarHBondContact O-CG 3.29Å; F152-L156 PolarHBondContact O-N 3.01Å; F152-T193 HydrophobicContact CD2-CG2 3.77Å; F152-T193 HydrophobicContact CE1-CG2 4.33Å; F152-T193 HydrophobicContact CE2-CG2 3.5Å; F152-T193 VanDerWaalsContact CE2-CG2 3.5Å; F152-T193 HydrophobicContact CG-CG2 4.29Å; F152-T193 HydrophobicContact CZ-CG2 3.79Å
153G97.1Very high95.3Very high26 Ų2651.4 Ų51.427%0.26827%0.274SS..Iπ-helixtrans-65-43.1175.500000111.5L149 Y155 L156 I157L149-G153 WeakPolarHBondContact O-CA 3.34Å; L149-G153 PolarHBondContact O-N 3.33Å; G153-Y155 VanDerWaalsContact C-N 3.33Å; G153-Y155 PolarHBondContact O-N 3.16Å; G153-L156 PolarHBondContact O-N 2.81Å; G153-I157 WeakPolarHBondContact O-CG1 3.37Å; G153-I157 PolarHBondContact O-N 2.83Å
154G96.9Very high95.7Very high35 Ų3553.3 Ų53.336%0.36128%0.276SS..Hα-helixtrans-59.6-42.9172.900000112.5A150 I157 Y158A150-G154 WeakPolarHBondContact O-CA 3.4Å; A150-G154 PolarHBondContact O-N 2.85Å; G154-I157 PolarHBondContact O-N 2.87Å; G154-Y158 WeakPolarHBondContact O-CB 3.46Å; G154-Y158 PolarHBondContact O-N 3.43Å
155Y97.1Very high96.1Very high21 Ų2158.5 Ų58.58%0.08230%0.302CS..Hα-helixtrans-62.7-43.7175.4-178.8-103.6000112.6R44 L46 L49 Y151 F152 G153 I157 Y158 V159 Y171R44-Y155 PolarHBondContact O-OH 3.46Å; L46-Y155 HydrophobicContact CB-CE1 3.84Å; L46-Y155 HydrophobicContact CB-CE2 4.14Å; L46-Y155 HydrophobicContact CD1-CD1 3.95Å; L46-Y155 HydrophobicContact CD1-CD2 4.25Å; L46-Y155 HydrophobicContact CD1-CE1 4.1Å; L46-Y155 HydrophobicContact CD1-CE2 4.37Å; L46-Y155 HydrophobicContact CD1-CG 4.03Å; L46-Y155 HydrophobicContact CD2-CE1 4.3Å; L46-Y155 HydrophobicContact CG-CE1 4.3Å; L46-Y155 PolarHBondContact N-OH 2.97Å; L46-Y155 VanDerWaalsContact N-OH 3.13Å; L49-Y155 HydrophobicContact CD2-CD2 3.67Å; L49-Y155 HydrophobicContact CD2-CE2 4.44Å; L49-Y155 HydrophobicContact CD2-CG 4.24Å; Y151-Y155 WeakPolarHBondContact O-CB 3.39Å; Y151-Y155 PolarHBondContact O-N 2.87Å; F152-Y155 PolarHBondContact O-N 3.2Å; G153-Y155 VanDerWaalsContact C-N 3.33Å; G153-Y155 PolarHBondContact O-N 3.16Å; Y155-I157 PolarHBondContact O-N 2.95Å; Y155-Y158 WeakPolarHBondContact O-CB 3.12Å; Y155-Y158 PolarHBondContact O-N 3.38Å; Y155-V159 HydrophobicContact CD1-CG2 3.98Å; Y155-V159 HydrophobicContact CD2-CG2 4.33Å; Y155-V159 HydrophobicContact CE1-CG2 3.51Å; Y155-V159 HydrophobicContact CE2-CG2 3.92Å; Y155-V159 HydrophobicContact CG-CG2 4.37Å; Y155-V159 VanDerWaalsContact CZ-CG2 3.47Å; Y155-V159 VanDerWaalsContact O-CG2 3.31Å; Y155-V159 WeakPolarHBondContact O-CG2 3.27Å; Y155-V159 PolarHBondContact O-N 3.38Å; Y155-Y171 WeakPolarHBondContact OH-CE2 3.34Å
156L96.8Very high96.2Very high46 Ų4660 Ų6024%0.24131%0.308CS..Hα-helixtrans-62.1-42.7176.9-72.7176.3000112.3F152 G153 Y158 V159 E160 Y186 I190F152-L156 WeakPolarHBondContact O-CG 3.29Å; F152-L156 PolarHBondContact O-N 3.01Å; G153-L156 PolarHBondContact O-N 2.81Å; L156-Y158 VanDerWaalsContact C-N 3.3Å; L156-Y158 PolarHBondContact O-N 3.4Å; L156-V159 PolarHBondContact O-N 2.86Å; L156-E160 PolarHBondContact O-N 3.07Å; L156-Y186 HydrophobicContact CD2-CD1 3.7Å; L156-Y186 HydrophobicContact CD2-CD2 4.32Å; L156-Y186 HydrophobicContact CD2-CE1 4.04Å; L156-Y186 HydrophobicContact CD2-CG 3.87Å; L156-I190 HydrophobicContact CD1-CD1 3.86Å; L156-I190 HydrophobicContact CD1-CG1 4.2Å
157I96.8Very high96.3Very high127 Ų12758.9 Ų58.965%0.65131%0.309SS*.Hα-helixtrans-59.5-44.2174.6-68.4165.7000110.2G153 G154 Y155 Y161G153-I157 WeakPolarHBondContact O-CG1 3.37Å; G153-I157 PolarHBondContact O-N 2.83Å; G154-I157 PolarHBondContact O-N 2.87Å; Y155-I157 PolarHBondContact O-N 2.95Å; I157-Y161 VanDerWaalsContact O-CB 3.31Å; I157-Y161 WeakPolarHBondContact O-CB 3.44Å; I157-Y161 PolarHBondContact O-N 3.02Å
158Y95.8Very high96.3Very high75 Ų7559 Ų5929%0.29431%0.31SS..Hα-helixtrans-64-44.7178.2176.3-130.7000112.5R44 G154 Y155 L156 Y161 L162R44-Y158 HydrophobicContact CB-CE1 4.34Å; G154-Y158 WeakPolarHBondContact O-CB 3.46Å; G154-Y158 PolarHBondContact O-N 3.43Å; Y155-Y158 WeakPolarHBondContact O-CB 3.12Å; Y155-Y158 PolarHBondContact O-N 3.38Å; L156-Y158 VanDerWaalsContact C-N 3.3Å; L156-Y158 PolarHBondContact O-N 3.4Å; Y158-Y161 HydrophobicContact CD2-CD1 4.37Å; Y158-Y161 WeakPolarHBondContact O-CB 3.38Å; Y158-Y161 PolarHBondContact O-N 3.27Å; Y158-L162 HydrophobicContact CD1-CD1 4.43Å; Y158-L162 HydrophobicContact CD2-CD1 4.43Å; Y158-L162 HydrophobicContact CD2-CG 4.21Å; Y158-L162 HydrophobicContact CE1-CD1 3.96Å; Y158-L162 HydrophobicContact CE2-CD1 3.92Å; Y158-L162 HydrophobicContact CE2-CD2 3.87Å; Y158-L162 HydrophobicContact CE2-CG 3.82Å; Y158-L162 WeakPolarHBondContact O-CG 3.5Å; Y158-L162 PolarHBondContact O-N 3.48Å
159V96.5Very high96.3Very high2 Ų262.1 Ų62.11%0.01232%0.321CS..Hα-helixtrans-61-47.9177.2169.70000111.1Y155 L156 Y161 L162 I163 P170 L174Y155-V159 HydrophobicContact CD1-CG2 3.98Å; Y155-V159 HydrophobicContact CD2-CG2 4.33Å; Y155-V159 HydrophobicContact CE1-CG2 3.51Å; Y155-V159 HydrophobicContact CE2-CG2 3.92Å; Y155-V159 HydrophobicContact CG-CG2 4.37Å; Y155-V159 VanDerWaalsContact CZ-CG2 3.47Å; Y155-V159 VanDerWaalsContact O-CG2 3.31Å; Y155-V159 WeakPolarHBondContact O-CG2 3.27Å; Y155-V159 PolarHBondContact O-N 3.38Å; L156-V159 PolarHBondContact O-N 2.86Å; V159-Y161 VanDerWaalsContact C-N 3.33Å; V159-Y161 PolarHBondContact O-N 3.14Å; V159-L162 PolarHBondContact O-N 3.3Å; V159-I163 HydrophobicContact CG1-CD1 3.78Å; V159-I163 WeakPolarHBondContact O-CG1 3.44Å; V159-I163 PolarHBondContact O-N 3.46Å; V159-P170 HydrophobicContact CG1-CG 4.15Å; V159-P170 HydrophobicContact CG2-CG 4.2Å; V159-L174 HydrophobicContact CG1-CD1 3.69Å
160E96.8Very high96.1Very high24 Ų2456.7 Ų56.711%0.11229%0.293CS..Hα-helixtrans-67-34.5177-82.3-68128.200111.8L156 L162 I163 R164 R182 Y186L156-E160 PolarHBondContact O-N 3.07Å; E160-L162 PolarHBondContact O-N 3.02Å; E160-I163 PolarHBondContact O-N 3.26Å; E160-R164 WeakPolarHBondContact O-CB 3.32Å; E160-R164 WeakPolarHBondContact O-CG 3.39Å; E160-R164 PolarHBondContact O-N 3.47Å; E160-R164 IonicContact OE2-CZ 3.33Å; E160-R164 IonicContact OE2-NE 3.6Å; E160-R164 PolarHBondContact OE2-NE 3.26Å; E160-R164 IonicContact OE2-NH2 3.2Å; E160-R182 IonicContact OE1-CZ 2.87Å; E160-R182 IonicContact OE1-NE 3.54Å; E160-R182 PolarHBondContact OE1-NE 3.19Å; E160-R182 IonicContact OE1-NH2 3.33Å; E160-R182 IonicContact OE2-NH2 3.67Å; E160-Y186 HydrophobicContact CG-CE2 3.93Å; E160-Y186 WeakPolarHBondContact OE1-CE2 3.31Å; E160-Y186 PolarHBondContact OE1-OH 3.21Å; E160-Y186 VanDerWaalsContact OE1-OH 3.07Å
161Y96.7Very high96Very high116 Ų11655.4 Ų55.446%0.45527%0.274SS..Hα-helixtrans-58.1-46.6171.7167.9-98.1000111.8I157 Y158 V159 I163 I165 H166I157-Y161 VanDerWaalsContact O-CB 3.31Å; I157-Y161 WeakPolarHBondContact O-CB 3.44Å; I157-Y161 PolarHBondContact O-N 3.02Å; Y158-Y161 HydrophobicContact CD2-CD1 4.37Å; Y158-Y161 WeakPolarHBondContact O-CB 3.38Å; Y158-Y161 PolarHBondContact O-N 3.27Å; V159-Y161 VanDerWaalsContact C-N 3.33Å; V159-Y161 PolarHBondContact O-N 3.14Å; Y161-I163 PolarHBondContact O-N 3Å; Y161-I165 HydrophobicContact CD2-CB 4.24Å; Y161-I165 HydrophobicContact CD2-CG1 3.68Å; Y161-I165 HydrophobicContact CE2-CB 4.09Å; Y161-I165 HydrophobicContact CE2-CG1 3.83Å; Y161-I165 HydrophobicContact CE2-CG2 4.19Å; Y161-I165 VanDerWaalsContact O-CB 3.27Å; Y161-I165 WeakPolarHBondContact O-CB 3.39Å; Y161-I165 WeakPolarHBondContact O-CG1 3.26Å; Y161-I165 PolarHBondContact O-N 2.95Å; Y161-H166 AromaticContact CE1-CD2 3.81Å; Y161-H166 AromaticContact CE1-NE2 3.62Å; Y161-H166 AromaticContact CZ-CD2 3.97Å; Y161-H166 AromaticContact CZ-NE2 3.43Å; Y161-H166 PolarHBondContact OH-NE2 2.81Å; Y161-H166 VanDerWaalsContact OH-NE2 3.11Å
162L95.8Very high95.8Very high16 Ų1655.9 Ų55.98%0.08428%0.281CS..Hα-helixtrans-60.9-44.4176.2-68.1175.4000112R44 Y158 V159 E160 H166 S167 F168 P170R44-L162 HydrophobicContact CB-CD1 4.07Å; Y158-L162 HydrophobicContact CD1-CD1 4.43Å; Y158-L162 HydrophobicContact CD2-CD1 4.43Å; Y158-L162 HydrophobicContact CD2-CG 4.21Å; Y158-L162 HydrophobicContact CE1-CD1 3.96Å; Y158-L162 HydrophobicContact CE2-CD1 3.92Å; Y158-L162 HydrophobicContact CE2-CD2 3.87Å; Y158-L162 HydrophobicContact CE2-CG 3.82Å; Y158-L162 WeakPolarHBondContact O-CG 3.5Å; Y158-L162 PolarHBondContact O-N 3.48Å; V159-L162 PolarHBondContact O-N 3.3Å; E160-L162 PolarHBondContact O-N 3.02Å; L162-H166 CarbonylContact O-C 3.33Å; L162-H166 WeakPolarHBondContact O-CA 3.43Å; L162-H166 WeakPolarHBondContact O-CB 3.45Å; L162-H166 PolarHBondContact O-N 3.39Å; L162-H166 VanDerWaalsContact O-N 3.08Å; L162-S167 PolarHBondContact O-N 3.08Å; L162-F168 CarbonylContact C-O 3.42Å; L162-F168 HydrophobicContact CB-CD1 4.46Å; L162-F168 HydrophobicContact CD1-CD1 4.4Å; L162-F168 PolarHBondContact O-N 3.09Å; L162-P170 HydrophobicContact CD1-CG 3.97Å
163I96.7Very high95.6Very high6 Ų655.2 Ų55.23%0.03128%0.279CS..Hα-helixtrans-68.3-47.8-178.2-68.3169.6000111.1V159 E160 Y161 S167 F168 Y169 L174V159-I163 HydrophobicContact CG1-CD1 3.78Å; V159-I163 WeakPolarHBondContact O-CG1 3.44Å; V159-I163 PolarHBondContact O-N 3.46Å; E160-I163 PolarHBondContact O-N 3.26Å; Y161-I163 PolarHBondContact O-N 3Å; I163-S167 WeakPolarHBondContact O-CA 3.49Å; I163-S167 PolarHBondContact O-N 2.96Å; I163-S167 VanDerWaalsContact O-N 3.15Å; I163-F168 WeakPolarHBondContact CG1-O 3.46Å; I163-F168 PolarHBondContact N-O 2.97Å; I163-Y169 HydrophobicContact CB-CE1 4.39Å; I163-Y169 HydrophobicContact CD1-CD1 3.86Å; I163-Y169 HydrophobicContact CD1-CE1 4.15Å; I163-Y169 HydrophobicContact CG1-CD1 3.74Å; I163-Y169 HydrophobicContact CG1-CE1 4Å; I163-Y169 HydrophobicContact CG1-CG 4.29Å; I163-Y169 HydrophobicContact CG2-CD1 4.21Å; I163-Y169 HydrophobicContact CG2-CE1 3.56Å; I163-L174 HydrophobicContact CD1-CB 4.24Å; I163-L174 HydrophobicContact CD1-CD1 4.14Å
164R95.9Very high95.6Very high111 Ų11154.2 Ų54.242%0.41927%0.267SS..Hα-helixtrans-76.7-39.8-171.7-63.4-69.7-176.2170.73.1113E160 D179 R182E160-R164 WeakPolarHBondContact O-CB 3.32Å; E160-R164 WeakPolarHBondContact O-CG 3.39Å; E160-R164 PolarHBondContact O-N 3.47Å; E160-R164 IonicContact OE2-CZ 3.33Å; E160-R164 IonicContact OE2-NE 3.6Å; E160-R164 PolarHBondContact OE2-NE 3.26Å; E160-R164 IonicContact OE2-NH2 3.2Å; R164-D179 VanDerWaalsContact CZ-CG 3.44Å; R164-D179 IonicContact CZ-OD1 3.22Å; R164-D179 IonicContact CZ-OD2 2.67Å; R164-D179 IonicContact NH1-OD1 3.26Å; R164-D179 PolarHBondContact NH1-OD1 3.17Å; R164-D179 IonicContact NH1-OD2 2.72Å; R164-D179 PolarHBondContact NH1-OD2 3.27Å; R164-D179 IonicContact NH2-OD1 2.79Å; R164-D179 PolarHBondContact NH2-OD1 3.13Å; R164-D179 IonicContact NH2-OD2 3.89Å; R164-D179 PolarHBondContact NH2-OD2 2.85Å; R164-R182 VanDerWaalsContact CZ-NH2 3.28Å
165I96.8Very high95.5Very high112 Ų11255.1 Ų55.157%0.57427%0.271SS*.Hα-helixtrans-94.8-36.2-172.9-53.6-54.8000111.3Y161Y161-I165 HydrophobicContact CD2-CB 4.24Å; Y161-I165 HydrophobicContact CD2-CG1 3.68Å; Y161-I165 HydrophobicContact CE2-CB 4.09Å; Y161-I165 HydrophobicContact CE2-CG1 3.83Å; Y161-I165 HydrophobicContact CE2-CG2 4.19Å; Y161-I165 VanDerWaalsContact O-CB 3.27Å; Y161-I165 WeakPolarHBondContact O-CB 3.39Å; Y161-I165 WeakPolarHBondContact O-CG1 3.26Å; Y161-I165 PolarHBondContact O-N 2.95Å
166H95.5Very high95.4Very high105 Ų10559.2 Ų59.249%0.48630%0.298SS..Hα-helixtrans-110.50.7-175-60.7-80.8000113.6Y161 L162 F168Y161-H166 AromaticContact CE1-CD2 3.81Å; Y161-H166 AromaticContact CE1-NE2 3.62Å; Y161-H166 AromaticContact CZ-CD2 3.97Å; Y161-H166 AromaticContact CZ-NE2 3.43Å; Y161-H166 PolarHBondContact OH-NE2 2.81Å; Y161-H166 VanDerWaalsContact OH-NE2 3.11Å; L162-H166 CarbonylContact O-C 3.33Å; L162-H166 WeakPolarHBondContact O-CA 3.43Å; L162-H166 WeakPolarHBondContact O-CB 3.45Å; L162-H166 PolarHBondContact O-N 3.39Å; L162-H166 VanDerWaalsContact O-N 3.08Å; H166-F168 HydrophobicContact CB-CB 4.04Å; H166-F168 PolarHBondContact O-N 2.72Å
167S95Very high95.3Very high95 Ų9560.7 Ų60.766%0.66430%0.302SS*.  trans5130.8-173.5-60.60000112.8L162 I163L162-S167 PolarHBondContact O-N 3.08Å; I163-S167 WeakPolarHBondContact O-CA 3.49Å; I163-S167 PolarHBondContact O-N 2.96Å; I163-S167 VanDerWaalsContact O-N 3.15Å
168F94Very high95.2Very high66 Ų6658.4 Ų58.429%0.28930%0.298SS..  trans-113.1118.2-170.3-175.5-104.5000110.5F41 R44 L162 I163 H166 P170F41-F168 HydrophobicContact CE1-CZ 4.38Å; F41-F168 AromaticContact CE2-CE1 3.8Å; F41-F168 HydrophobicContact CE2-CE1 3.8Å; F41-F168 AromaticContact CE2-CZ 3.87Å; F41-F168 HydrophobicContact CE2-CZ 3.87Å; F41-F168 AromaticContact CZ-CE1 3.78Å; F41-F168 HydrophobicContact CZ-CE1 3.78Å; F41-F168 HydrophobicContact CZ-CE2 4.19Å; F41-F168 AromaticContact CZ-CZ 3.38Å; F41-F168 HydrophobicContact CZ-CZ 3.38Å; R44-F168 VanDerWaalsContact CD-CE1 3.48Å; L162-F168 CarbonylContact C-O 3.42Å; L162-F168 HydrophobicContact CB-CD1 4.46Å; L162-F168 HydrophobicContact CD1-CD1 4.4Å; L162-F168 PolarHBondContact O-N 3.09Å; I163-F168 WeakPolarHBondContact CG1-O 3.46Å; I163-F168 PolarHBondContact N-O 2.97Å; H166-F168 HydrophobicContact CB-CB 4.04Å; H166-F168 PolarHBondContact O-N 2.72Å; F168-P170 WeakPolarHBondContact O-CD 3.35Å
169Y94.8Very high95.2Very high82 Ų8258.2 Ų58.232%0.32230%0.302SS..  trans-99.2119.6-175.5-64.4-94000110.1I163 Y171 L174 A175I163-Y169 HydrophobicContact CB-CE1 4.39Å; I163-Y169 HydrophobicContact CD1-CD1 3.86Å; I163-Y169 HydrophobicContact CD1-CE1 4.15Å; I163-Y169 HydrophobicContact CG1-CD1 3.74Å; I163-Y169 HydrophobicContact CG1-CE1 4Å; I163-Y169 HydrophobicContact CG1-CG 4.29Å; I163-Y169 HydrophobicContact CG2-CD1 4.21Å; I163-Y169 HydrophobicContact CG2-CE1 3.56Å; Y169-Y171 PolarHBondContact O-N 3.5Å; Y169-L174 HydrophobicContact CD1-CB 3.99Å; Y169-A175 HydrophobicContact CD1-CB 3.8Å; Y169-A175 HydrophobicContact CD2-CB 4.02Å; Y169-A175 HydrophobicContact CE1-CB 4.15Å; Y169-A175 HydrophobicContact CE2-CB 4.36Å; Y169-A175 HydrophobicContact CG-CB 3.72Å
170P92.8Very high95.2Very high3 Ų363.8 Ų63.82%0.01934%0.336CS..SBendtrans-60.9-32.1176-27.637.4000113.2R44 F45 V159 L162 F168R44-P170 HydrophobicContact CB-CB 4.44Å; R44-P170 PolarHBondContact NH1-O 2.9Å; F45-P170 WeakPolarHBondContact CE1-O 3.1Å; V159-P170 HydrophobicContact CG1-CG 4.15Å; V159-P170 HydrophobicContact CG2-CG 4.2Å; L162-P170 HydrophobicContact CD1-CG 3.97Å; F168-P170 WeakPolarHBondContact O-CD 3.35Å
171Y92.7Very high95.2Very high40 Ų4063.6 Ų63.616%0.15734%0.341CS..SBendtrans-134.5139.9179.7-58.7-74.4000110.5F45 L46 Y155 Y169 V173 L174F45-Y171 WeakPolarHBondContact CA-OH 3.22Å; F45-Y171 HydrophobicContact CD1-CD1 4.35Å; F45-Y171 AromaticContact CD1-CE1 3.7Å; F45-Y171 HydrophobicContact CD1-CE1 3.7Å; F45-Y171 AromaticContact CD1-CZ 3.97Å; F45-Y171 HydrophobicContact CE1-CE1 4.28Å; L46-Y171 PolarHBondContact N-OH 3.19Å; Y155-Y171 WeakPolarHBondContact OH-CE2 3.34Å; Y169-Y171 PolarHBondContact O-N 3.5Å; Y171-V173 PolarHBondContact O-N 3.05Å; Y171-L174 HydrophobicContact CD2-CD1 4.26Å; Y171-L174 PolarHBondContact O-N 3.1Å
172P94.1Very high95.3Very high40 Ų4058.2 Ų58.226%0.2632%0.319SS..Hα-helixtrans-53.3-35.9174.4-27.134.6000113.7L101 L102 L174 A175 V176L101-P172 WeakPolarHBondContact O-CD 3.35Å; L102-P172 VanDerWaalsContact O-CD 3.25Å; L102-P172 WeakPolarHBondContact O-CD 3.33Å; P172-L174 PolarHBondContact O-N 3.12Å; P172-L174 VanDerWaalsContact O-N 3.1Å; P172-A175 WeakPolarHBondContact O-CB 3.18Å; P172-A175 PolarHBondContact O-N 3.26Å; P172-V176 PolarHBondContact O-N 3.25Å
173V94Very high95.3Very high11 Ų1162.8 Ų62.87%0.06734%0.339CS..Hα-helixtrans-53-34.9176.9740000113.2L101 Y171 F177 F185L101-V173 HydrophobicContact CB-CB 4.01Å; L101-V173 HydrophobicContact CB-CG2 4.32Å; L101-V173 HydrophobicContact CD1-CG2 4.37Å; L101-V173 HydrophobicContact CD2-CG2 4.5Å; L101-V173 WeakPolarHBondContact O-CB 3.36Å; L101-V173 PolarHBondContact O-N 3.24Å; Y171-V173 PolarHBondContact O-N 3.05Å; V173-F177 HydrophobicContact CG2-CE2 3.98Å; V173-F177 WeakPolarHBondContact O-CD2 3.49Å; V173-F185 HydrophobicContact CG1-CZ 4.44Å
174L95.7Very high95.4Very high6 Ų664.2 Ų64.23%0.03136%0.355CS..Hα-helixtrans-76.8-26.3-179.5-62.8177.7000112.1V159 I163 Y169 Y171 P172 V176 R182 F185 Y186V159-L174 HydrophobicContact CG1-CD1 3.69Å; I163-L174 HydrophobicContact CD1-CB 4.24Å; I163-L174 HydrophobicContact CD1-CD1 4.14Å; Y169-L174 HydrophobicContact CD1-CB 3.99Å; Y171-L174 HydrophobicContact CD2-CD1 4.26Å; Y171-L174 PolarHBondContact O-N 3.1Å; P172-L174 PolarHBondContact O-N 3.12Å; P172-L174 VanDerWaalsContact O-N 3.1Å; L174-V176 VanDerWaalsContact C-N 3.33Å; L174-R182 WeakPolarHBondContact O-CD 3.38Å; L174-F185 HydrophobicContact CD2-CD1 3.79Å; L174-F185 HydrophobicContact CD2-CE1 3.99Å; L174-Y186 HydrophobicContact CD2-CE1 3.73Å
175A95.1Very high95.4Very high53 Ų5361.1 Ų61.144%0.43835%0.345SS..Hα-helixtrans-75-24.9176.500000112.4Y169 P172 F177Y169-A175 HydrophobicContact CD1-CB 3.8Å; Y169-A175 HydrophobicContact CD2-CB 4.02Å; Y169-A175 HydrophobicContact CE1-CB 4.15Å; Y169-A175 HydrophobicContact CE2-CB 4.36Å; Y169-A175 HydrophobicContact CG-CB 3.72Å; P172-A175 WeakPolarHBondContact O-CB 3.18Å; P172-A175 PolarHBondContact O-N 3.26Å; A175-F177 VanDerWaalsContact C-N 3.31Å
176V94.4Very high95.4Very high107 Ų10756.6 Ų56.665%0.64832%0.32SS*.Hα-helixtrans-70.9-29.2176.3178.50000111.7L101 P172 L174L101-V176 HydrophobicContact CD2-CG2 4.28Å; P172-V176 PolarHBondContact O-N 3.25Å; L174-V176 VanDerWaalsContact C-N 3.33Å
177F94.8Very high95.5Very high77 Ų7755.2 Ų55.234%0.33832%0.323SS..SBendtrans-87.7139.4-176.1-71.7-59.1000113V173 A175 R182 F185V173-F177 HydrophobicContact CG2-CE2 3.98Å; V173-F177 WeakPolarHBondContact O-CD2 3.49Å; A175-F177 VanDerWaalsContact C-N 3.31Å; F177-R182 HydrophobicContact CB-CG 3.65Å; F177-R182 PolarHBondContact O-NH1 3.25Å; F177-F185 HydrophobicContact CD2-CB 4.26Å; F177-F185 HydrophobicContact CE2-CB 3.98Å; F177-F185 AromaticContact CE2-CD2 3.93Å; F177-F185 HydrophobicContact CE2-CD2 3.93Å; F177-F185 HydrophobicContact CE2-CG 4.06Å; F177-F185 HydrophobicContact CZ-CD2 4.49Å
178S96.1Very high95.6Very high79 Ų7955.6 Ų55.655%0.55232%0.321SS*.  trans-60.5168.6158.870.10000110.8V180 G181 R182S178-V180 VanDerWaalsContact C-N 3.29Å; S178-V180 PolarHBondContact O-N 3.11Å; S178-G181 CarbonylContact O-C 3.6Å; S178-G181 WeakPolarHBondContact O-CA 3.5Å; S178-G181 PolarHBondContact O-N 3.32Å; S178-G181 PolarHBondContact OG-N 3.24Å; S178-R182 PolarHBondContact O-N 3.02Å
179D95.1Very high95.8Very high71 Ų7153.8 Ų53.838%0.3832%0.315SS..Hα-helixtrans-52.9-47.2176.8-67-12.3000112.9R164 G181 R182 F183R164-D179 VanDerWaalsContact CZ-CG 3.44Å; R164-D179 IonicContact CZ-OD1 3.22Å; R164-D179 IonicContact CZ-OD2 2.67Å; R164-D179 IonicContact NH1-OD1 3.26Å; R164-D179 PolarHBondContact NH1-OD1 3.17Å; R164-D179 IonicContact NH1-OD2 2.72Å; R164-D179 PolarHBondContact NH1-OD2 3.27Å; R164-D179 IonicContact NH2-OD1 2.79Å; R164-D179 PolarHBondContact NH2-OD1 3.13Å; R164-D179 IonicContact NH2-OD2 3.89Å; R164-D179 PolarHBondContact NH2-OD2 2.85Å; D179-G181 VanDerWaalsContact C-N 3.31Å; D179-G181 PolarHBondContact O-N 3.46Å; D179-R182 PolarHBondContact O-N 3.44Å; D179-R182 IonicContact OD1-CZ 3.84Å; D179-R182 VanDerWaalsContact OD1-CZ 3.26Å; D179-R182 IonicContact OD1-NH1 3.43Å; D179-R182 PolarHBondContact OD1-NH1 2.89Å; D179-R182 IonicContact OD1-NH2 2.97Å; D179-R182 PolarHBondContact OD1-NH2 3.38Å; D179-F183 WeakPolarHBondContact O-CD2 3.2Å; D179-F183 PolarHBondContact O-N 3.31Å; D179-F183 VanDerWaalsContact O-N 3.16Å
180V96.9Very high95.9Very high119 Ų11953.8 Ų53.872%0.72132%0.32SS*.Hα-helixtrans-64-40.2176.8179.80000110.5S178 R182 F183 G184S178-V180 VanDerWaalsContact C-N 3.29Å; S178-V180 PolarHBondContact O-N 3.11Å; V180-R182 PolarHBondContact O-N 3.01Å; V180-F183 PolarHBondContact O-N 2.9Å; V180-G184 PolarHBondContact O-N 3.17Å
181G97.4Very high96.1Very high21 Ų2159.5 Ų59.522%0.21635%0.348CS..Hα-helixtrans-60.2-42.1175.500000112.8S178 D179 G184 F185S178-G181 CarbonylContact O-C 3.6Å; S178-G181 WeakPolarHBondContact O-CA 3.5Å; S178-G181 PolarHBondContact O-N 3.32Å; S178-G181 PolarHBondContact OG-N 3.24Å; D179-G181 VanDerWaalsContact C-N 3.31Å; D179-G181 PolarHBondContact O-N 3.46Å; G181-G184 PolarHBondContact O-N 2.96Å; G181-F185 PolarHBondContact O-N 3.08Å
182R97.5Very high96.4Very high3 Ų358.9 Ų58.91%0.01135%0.351CS..Hα-helixtrans-63.6-44.6176.8-69.1-163.3-53.1-78-0.3111.6E160 R164 L174 F177 S178 D179 V180 G184 F185 Y186E160-R182 IonicContact OE1-CZ 2.87Å; E160-R182 IonicContact OE1-NE 3.54Å; E160-R182 PolarHBondContact OE1-NE 3.19Å; E160-R182 IonicContact OE1-NH2 3.33Å; E160-R182 IonicContact OE2-NH2 3.67Å; R164-R182 VanDerWaalsContact CZ-NH2 3.28Å; L174-R182 WeakPolarHBondContact O-CD 3.38Å; F177-R182 HydrophobicContact CB-CG 3.65Å; F177-R182 PolarHBondContact O-NH1 3.25Å; S178-R182 PolarHBondContact O-N 3.02Å; D179-R182 PolarHBondContact O-N 3.44Å; D179-R182 IonicContact OD1-CZ 3.84Å; D179-R182 VanDerWaalsContact OD1-CZ 3.26Å; D179-R182 IonicContact OD1-NH1 3.43Å; D179-R182 PolarHBondContact OD1-NH1 2.89Å; D179-R182 IonicContact OD1-NH2 2.97Å; D179-R182 PolarHBondContact OD1-NH2 3.38Å; V180-R182 PolarHBondContact O-N 3.01Å; R182-G184 VanDerWaalsContact C-N 3.3Å; R182-G184 PolarHBondContact O-N 3.47Å; R182-F185 WeakPolarHBondContact O-CB 3.33Å; R182-F185 PolarHBondContact O-N 3.33Å; R182-F185 VanDerWaalsContact O-N 3.15Å; R182-Y186 HydrophobicContact CB-CE2 4.05Å; R182-Y186 VanDerWaalsContact O-CD2 3.31Å; R182-Y186 WeakPolarHBondContact O-CD2 3.29Å; R182-Y186 PolarHBondContact O-N 3.1Å
183F97.1Very high96.6Very high111 Ų11157.7 Ų57.749%0.48734%0.343SS..Hα-helixtrans-63.8-34.9175.1-74-65.9000112.9D179 V180 Y186 S187D179-F183 WeakPolarHBondContact O-CD2 3.2Å; D179-F183 PolarHBondContact O-N 3.31Å; D179-F183 VanDerWaalsContact O-N 3.16Å; V180-F183 PolarHBondContact O-N 2.9Å; F183-Y186 HydrophobicContact CD1-CD2 4.08Å; F183-Y186 PolarHBondContact O-N 2.92Å; F183-S187 WeakPolarHBondContact O-CB 3.38Å; F183-S187 PolarHBondContact O-N 3.05Å; F183-S187 PolarHBondContact O-OG 2.99Å
184G97.6Very high96.8Very high36 Ų3661.2 Ų61.237%0.37136%0.364SS..Hα-helixtrans-60-49.7169.400000111.9V180 G181 R182 Y186 S187 V188V180-G184 PolarHBondContact O-N 3.17Å; G181-G184 PolarHBondContact O-N 2.96Å; R182-G184 VanDerWaalsContact C-N 3.3Å; R182-G184 PolarHBondContact O-N 3.47Å; G184-Y186 PolarHBondContact O-N 3.49Å; G184-S187 WeakPolarHBondContact O-CB 3.4Å; G184-S187 PolarHBondContact O-N 3.29Å; G184-V188 PolarHBondContact O-N 3.35Å; G184-V188 VanDerWaalsContact O-N 3.09Å
185F96.6Very high96.9Very high47 Ų4766.5 Ų66.521%0.20639%0.392CS..Hα-helixtrans-59.7-42.5176.6179-99.3000112.6M90 V173 L174 F177 G181 R182 S187 V188 T189M90-F185 HydrophobicContact CE-CE2 4.03Å; M90-F185 HydrophobicContact CE-CZ 3.77Å; V173-F185 HydrophobicContact CG1-CZ 4.44Å; L174-F185 HydrophobicContact CD2-CD1 3.79Å; L174-F185 HydrophobicContact CD2-CE1 3.99Å; F177-F185 HydrophobicContact CD2-CB 4.26Å; F177-F185 HydrophobicContact CE2-CB 3.98Å; F177-F185 AromaticContact CE2-CD2 3.93Å; F177-F185 HydrophobicContact CE2-CD2 3.93Å; F177-F185 HydrophobicContact CE2-CG 4.06Å; F177-F185 HydrophobicContact CZ-CD2 4.49Å; G181-F185 PolarHBondContact O-N 3.08Å; R182-F185 WeakPolarHBondContact O-CB 3.33Å; R182-F185 PolarHBondContact O-N 3.33Å; R182-F185 VanDerWaalsContact O-N 3.15Å; F185-S187 VanDerWaalsContact C-N 3.34Å; F185-S187 PolarHBondContact O-N 2.89Å; F185-V188 PolarHBondContact O-N 3.22Å; F185-T189 WeakPolarHBondContact O-CB 3.45Å; F185-T189 PolarHBondContact O-N 3.15Å; F185-T189 PolarHBondContact O-OG1 3.42Å
186Y97.3Very high97Very high16 Ų1664.2 Ų64.26%0.06337%0.373CS..Hα-helixtrans-63-40.6175.4-59.8-26.4000111.7L156 E160 L174 R182 F183 G184 V188 T189 I190L156-Y186 HydrophobicContact CD2-CD1 3.7Å; L156-Y186 HydrophobicContact CD2-CD2 4.32Å; L156-Y186 HydrophobicContact CD2-CE1 4.04Å; L156-Y186 HydrophobicContact CD2-CG 3.87Å; E160-Y186 HydrophobicContact CG-CE2 3.93Å; E160-Y186 WeakPolarHBondContact OE1-CE2 3.31Å; E160-Y186 PolarHBondContact OE1-OH 3.21Å; E160-Y186 VanDerWaalsContact OE1-OH 3.07Å; L174-Y186 HydrophobicContact CD2-CE1 3.73Å; R182-Y186 HydrophobicContact CB-CE2 4.05Å; R182-Y186 VanDerWaalsContact O-CD2 3.31Å; R182-Y186 WeakPolarHBondContact O-CD2 3.29Å; R182-Y186 PolarHBondContact O-N 3.1Å; F183-Y186 HydrophobicContact CD1-CD2 4.08Å; F183-Y186 PolarHBondContact O-N 2.92Å; G184-Y186 PolarHBondContact O-N 3.49Å; Y186-V188 PolarHBondContact O-N 3.47Å; Y186-T189 PolarHBondContact O-N 2.67Å; Y186-I190 WeakPolarHBondContact O-CB 3.41Å; Y186-I190 WeakPolarHBondContact O-CD1 3.47Å; Y186-I190 WeakPolarHBondContact O-CG1 3.43Å; Y186-I190 PolarHBondContact O-N 3.18Å
187S97.4Very high97.2Very high76 Ų7660 Ų6053%0.53135%0.346SS..Hα-helixtrans-62.3-44.4178.4-590000111.8F183 G184 F185 I190 M191F183-S187 WeakPolarHBondContact O-CB 3.38Å; F183-S187 PolarHBondContact O-N 3.05Å; F183-S187 PolarHBondContact O-OG 2.99Å; G184-S187 WeakPolarHBondContact O-CB 3.4Å; G184-S187 PolarHBondContact O-N 3.29Å; F185-S187 VanDerWaalsContact C-N 3.34Å; F185-S187 PolarHBondContact O-N 2.89Å; S187-I190 PolarHBondContact O-N 3.48Å; S187-M191 PolarHBondContact O-N 3.29Å
188V97.2Very high97.3Very high104 Ų10457.9 Ų57.963%0.6335%0.345SS*.Hα-helixtrans-63.4-44.4175.1175.50000110.9G184 F185 Y186 M191 A192G184-V188 PolarHBondContact O-N 3.35Å; G184-V188 VanDerWaalsContact O-N 3.09Å; F185-V188 PolarHBondContact O-N 3.22Å; Y186-V188 PolarHBondContact O-N 3.47Å; V188-M191 WeakPolarHBondContact O-CB 3.41Å; V188-M191 PolarHBondContact O-N 2.85Å; V188-A192 PolarHBondContact O-N 3.35Å
189T96.8Very high97.4Very high28 Ų2857.5 Ų57.517%0.17234%0.34CS..Hα-helixtrans-63.8-43.4179.4-55.30000111.5F185 Y186 M191 A192 T193F185-T189 WeakPolarHBondContact O-CB 3.45Å; F185-T189 PolarHBondContact O-N 3.15Å; F185-T189 PolarHBondContact O-OG1 3.42Å; Y186-T189 PolarHBondContact O-N 2.67Å; T189-M191 VanDerWaalsContact C-N 3.34Å; T189-M191 PolarHBondContact O-N 3.01Å; T189-A192 PolarHBondContact O-N 2.88Å; T189-T193 PolarHBondContact O-N 2.97Å; T189-T193 PolarHBondContact O-OG1 3.15Å
190I97.5Very high97.5Very high82 Ų8254.1 Ų54.142%0.42132%0.322SS..Hα-helixtrans-60.3-44.7175.4-71.5163.5000110.5L156 Y186 S187 A192 T193 V194L156-I190 HydrophobicContact CD1-CD1 3.86Å; L156-I190 HydrophobicContact CD1-CG1 4.2Å; Y186-I190 WeakPolarHBondContact O-CB 3.41Å; Y186-I190 WeakPolarHBondContact O-CD1 3.47Å; Y186-I190 WeakPolarHBondContact O-CG1 3.43Å; Y186-I190 PolarHBondContact O-N 3.18Å; S187-I190 PolarHBondContact O-N 3.48Å; I190-A192 VanDerWaalsContact C-N 3.33Å; I190-A192 PolarHBondContact O-N 2.72Å; I190-T193 WeakPolarHBondContact O-CB 3.39Å; I190-T193 PolarHBondContact O-N 2.97Å; I190-T193 VanDerWaalsContact O-N 3.16Å; I190-V194 HydrophobicContact CG2-CG2 4.49Å; I190-V194 WeakPolarHBondContact O-CG2 3.43Å; I190-V194 PolarHBondContact O-N 3.22Å
191M97.8Very high97.5Very high123 Ų12349.6 Ų49.661%0.60629%0.294SS*.Hα-helixtrans-58-47176.1-171.866.968.500111.1S187 V188 T189 T193 V194 L195S187-M191 PolarHBondContact O-N 3.29Å; V188-M191 WeakPolarHBondContact O-CB 3.41Å; V188-M191 PolarHBondContact O-N 2.85Å; T189-M191 VanDerWaalsContact C-N 3.34Å; T189-M191 PolarHBondContact O-N 3.01Å; M191-T193 VanDerWaalsContact C-N 3.34Å; M191-T193 PolarHBondContact O-N 3.11Å; M191-V194 PolarHBondContact O-N 3.24Å; M191-L195 WeakPolarHBondContact O-CG 3.48Å; M191-L195 PolarHBondContact O-N 3.08Å
192A98.2Very high97.5Very high27 Ų2754 Ų5422%0.22331%0.312CS..Hα-helixtrans-61.8-39.5175.700000112.3I86 V188 T189 I190 L195 C196I86-A192 HydrophobicContact CD1-CB 3.64Å; V188-A192 PolarHBondContact O-N 3.35Å; T189-A192 PolarHBondContact O-N 2.88Å; I190-A192 VanDerWaalsContact C-N 3.33Å; I190-A192 PolarHBondContact O-N 2.72Å; A192-L195 PolarHBondContact O-N 3.29Å; A192-C196 PolarHBondContact O-N 2.9Å; A192-C196 PolarHBondContact O-SG 3.05Å
193T98.2Very high97.4Very high15 Ų1556 Ų569%0.09232%0.322CS..Hα-helixtrans-61.9-42.4174-55.80000111.8T82 F152 T189 I190 M191 L195 C196 F197T82-T193 HydrophobicContact CG2-CG2 3.85Å; F152-T193 HydrophobicContact CD2-CG2 3.77Å; F152-T193 HydrophobicContact CE1-CG2 4.33Å; F152-T193 HydrophobicContact CE2-CG2 3.5Å; F152-T193 VanDerWaalsContact CE2-CG2 3.5Å; F152-T193 HydrophobicContact CG-CG2 4.29Å; F152-T193 HydrophobicContact CZ-CG2 3.79Å; T189-T193 PolarHBondContact O-N 2.97Å; T189-T193 PolarHBondContact O-OG1 3.15Å; I190-T193 WeakPolarHBondContact O-CB 3.39Å; I190-T193 PolarHBondContact O-N 2.97Å; I190-T193 VanDerWaalsContact O-N 3.16Å; M191-T193 VanDerWaalsContact C-N 3.34Å; M191-T193 PolarHBondContact O-N 3.11Å; T193-L195 VanDerWaalsContact C-N 3.33Å; T193-L195 PolarHBondContact O-N 3.37Å; T193-C196 WeakPolarHBondContact O-CB 3.27Å; T193-C196 PolarHBondContact O-N 3.34Å; T193-F197 PolarHBondContact O-N 3.42Å
194V97.3Very high97.4Very high85 Ų8551.1 Ų51.152%0.51530%0.301SS..Hα-helixtrans-62.4-41176.8170.60000110.9I190 M191 F197 G198I190-V194 HydrophobicContact CG2-CG2 4.49Å; I190-V194 WeakPolarHBondContact O-CG2 3.43Å; I190-V194 PolarHBondContact O-N 3.22Å; M191-V194 PolarHBondContact O-N 3.24Å; V194-F197 PolarHBondContact O-N 3.07Å; V194-G198 PolarHBondContact O-N 3.06Å
195L98.2Very high97.3Very high117 Ų11755.4 Ų55.461%0.61331%0.306SS*.Hα-helixtrans-62.6-44.8173.9-65.9174.2000111.6M191 A192 T193 F197 G198 V199M191-L195 WeakPolarHBondContact O-CG 3.48Å; M191-L195 PolarHBondContact O-N 3.08Å; A192-L195 PolarHBondContact O-N 3.29Å; T193-L195 VanDerWaalsContact C-N 3.33Å; T193-L195 PolarHBondContact O-N 3.37Å; L195-F197 VanDerWaalsContact C-N 3.29Å; L195-F197 PolarHBondContact O-N 3.06Å; L195-G198 WeakPolarHBondContact O-CA 3.45Å; L195-G198 PolarHBondContact O-N 2.92Å; L195-G198 VanDerWaalsContact O-N 3.09Å; L195-V199 PolarHBondContact O-N 3.43Å
196C98.4Very high97.2Very high5 Ų556.3 Ų56.33%0.03432%0.318CS..Hα-helixtrans-59.7-39.9175.1-67.10000112.1T82 L85 A192 T193 V199 S200T82-C196 HydrophobicContact CG2-CB 4.03Å; L85-C196 HydrophobicContact CB-CB 4.35Å; L85-C196 HydrophobicContact CD2-CB 3.91Å; L85-C196 HydrophobicContact CG-CB 4.2Å; A192-C196 PolarHBondContact O-N 2.9Å; A192-C196 PolarHBondContact O-SG 3.05Å; T193-C196 WeakPolarHBondContact O-CB 3.27Å; T193-C196 PolarHBondContact O-N 3.34Å; C196-V199 WeakPolarHBondContact O-CB 3.36Å; C196-V199 PolarHBondContact O-N 2.92Å; C196-S200 PolarHBondContact O-N 3.45Å
197F97.9Very high97.1Very high19 Ų1956.1 Ų56.18%0.08332%0.318CS..Hα-helixtrans-65.7-39.1174175.6-123.2000112T82 I141 I145 L148 T193 V194 L195 V199 S200 V201T82-F197 HydrophobicContact CG2-CB 3.93Å; T82-F197 WeakPolarHBondContact OG1-CA 3.4Å; I141-F197 HydrophobicContact CG2-CE1 3.52Å; I141-F197 HydrophobicContact CG2-CZ 3.7Å; I145-F197 HydrophobicContact CG1-CE1 4.05Å; I145-F197 HydrophobicContact CG1-CZ 4.47Å; L148-F197 HydrophobicContact CD1-CB 3.99Å; L148-F197 HydrophobicContact CD1-CD1 3.79Å; L148-F197 HydrophobicContact CD1-CD2 3.47Å; L148-F197 VanDerWaalsContact CD1-CD2 3.47Å; L148-F197 HydrophobicContact CD1-CE1 4.08Å; L148-F197 HydrophobicContact CD1-CE2 3.79Å; L148-F197 HydrophobicContact CD1-CG 3.46Å; L148-F197 VanDerWaalsContact CD1-CG 3.46Å; L148-F197 HydrophobicContact CD1-CZ 4.08Å; T193-F197 PolarHBondContact O-N 3.42Å; V194-F197 PolarHBondContact O-N 3.07Å; L195-F197 VanDerWaalsContact C-N 3.29Å; L195-F197 PolarHBondContact O-N 3.06Å; F197-V199 VanDerWaalsContact C-N 3.3Å; F197-V199 PolarHBondContact O-N 2.91Å; F197-S200 WeakPolarHBondContact O-CA 3.37Å; F197-S200 VanDerWaalsContact O-CB 3.25Å; F197-S200 WeakPolarHBondContact O-CB 3.5Å; F197-S200 PolarHBondContact O-N 2.95Å; F197-S200 VanDerWaalsContact O-N 3.08Å; F197-V201 HydrophobicContact CD2-CG2 4.31Å; F197-V201 HydrophobicContact CE1-CG2 4.19Å; F197-V201 HydrophobicContact CE2-CG2 3.84Å; F197-V201 HydrophobicContact CZ-CG2 3.78Å; F197-V201 WeakPolarHBondContact O-CG2 3.37Å; F197-V201 PolarHBondContact O-N 3Å
198G97.3Very high96.9Very high31 Ų3154.3 Ų54.332%0.3230%0.303SS..Hα-helixtrans-55-45170.500000112.2V194 L195 S200 V201 L202V194-G198 PolarHBondContact O-N 3.06Å; L195-G198 WeakPolarHBondContact O-CA 3.45Å; L195-G198 PolarHBondContact O-N 2.92Å; L195-G198 VanDerWaalsContact O-N 3.09Å; G198-S200 VanDerWaalsContact C-N 3.32Å; G198-S200 PolarHBondContact O-N 2.85Å; G198-V201 PolarHBondContact O-N 2.68Å; G198-L202 WeakPolarHBondContact O-CG 3.48Å; G198-L202 PolarHBondContact O-N 3.14Å
199V98Very high96.7Very high72 Ų7256.1 Ų56.144%0.43630%0.302SS..Hα-helixtrans-59.8-42.3174.2177.40000111.2F81 L85 L195 C196 F197 V201 L202 M203F81-V199 HydrophobicContact CE1-CG1 4.2Å; F81-V199 HydrophobicContact CZ-CG1 4.32Å; L85-V199 HydrophobicContact CD2-CB 4.24Å; L85-V199 HydrophobicContact CD2-CG1 4.2Å; L195-V199 PolarHBondContact O-N 3.43Å; C196-V199 WeakPolarHBondContact O-CB 3.36Å; C196-V199 PolarHBondContact O-N 2.92Å; F197-V199 VanDerWaalsContact C-N 3.3Å; F197-V199 PolarHBondContact O-N 2.91Å; V199-V201 PolarHBondContact O-N 3.18Å; V199-L202 PolarHBondContact O-N 3.16Å; V199-M203 WeakPolarHBondContact O-CB 3.15Å; V199-M203 PolarHBondContact O-N 3.07Å
200S97.4Very high96.3Very high0 Ų057.2 Ų57.20%031%0.309CS..Hα-helixtrans-57.7-48.4174.3-175.60000112.6S78 C196 F197 G198 L202 M203 V204S78-S200 VanDerWaalsContact CA-OG 3.28Å; S78-S200 WeakPolarHBondContact CA-OG 3.42Å; S78-S200 WeakPolarHBondContact CB-OG 3.33Å; S78-S200 PolarHBondContact OG-OG 3.41Å; S78-S200 VanDerWaalsContact OG-OG 3.12Å; C196-S200 PolarHBondContact O-N 3.45Å; F197-S200 WeakPolarHBondContact O-CA 3.37Å; F197-S200 VanDerWaalsContact O-CB 3.25Å; F197-S200 WeakPolarHBondContact O-CB 3.5Å; F197-S200 PolarHBondContact O-N 2.95Å; F197-S200 VanDerWaalsContact O-N 3.08Å; G198-S200 VanDerWaalsContact C-N 3.32Å; G198-S200 PolarHBondContact O-N 2.85Å; S200-L202 PolarHBondContact O-N 3.4Å; S200-M203 WeakPolarHBondContact O-CB 3.49Å; S200-M203 PolarHBondContact O-N 2.88Å; S200-V204 WeakPolarHBondContact O-CG2 3.49Å; S200-V204 PolarHBondContact O-N 3.39Å
201V96.3Very high95.7Very high24 Ų2457 Ų5715%0.14531%0.306CS..Hα-helixtrans-62.4-43.1178.3173.80000111.2F197 G198 V199 V204 R205F197-V201 HydrophobicContact CD2-CG2 4.31Å; F197-V201 HydrophobicContact CE1-CG2 4.19Å; F197-V201 HydrophobicContact CE2-CG2 3.84Å; F197-V201 HydrophobicContact CZ-CG2 3.78Å; F197-V201 WeakPolarHBondContact O-CG2 3.37Å; F197-V201 PolarHBondContact O-N 3Å; G198-V201 PolarHBondContact O-N 2.68Å; V199-V201 PolarHBondContact O-N 3.18Å; V201-V204 PolarHBondContact O-N 3.44Å; V201-R205 WeakPolarHBondContact O-CB 3.21Å; V201-R205 WeakPolarHBondContact O-CG 3.5Å; V201-R205 PolarHBondContact O-N 2.98Å
202L96.6Very high95.2Very high114 Ų11459.5 Ų59.560%0.59731%0.31SS*.Hα-helixtrans-63.8-40.2177.3-70176.2000112G198 V199 S200 R205 S206G198-L202 WeakPolarHBondContact O-CG 3.48Å; G198-L202 PolarHBondContact O-N 3.14Å; V199-L202 PolarHBondContact O-N 3.16Å; S200-L202 PolarHBondContact O-N 3.4Å; L202-R205 PolarHBondContact O-N 2.88Å; L202-S206 VanDerWaalsContact O-CB 3.28Å; L202-S206 WeakPolarHBondContact O-CB 3.25Å; L202-S206 PolarHBondContact O-N 2.81Å
203M96.5Very high94.7Very high43 Ų4364.2 Ų64.221%0.21233%0.325CS..Hα-helixtrans-60.6-50.8176.1-17857.9163.300111.1F81 I128 V199 S200 R205 S206 L207F81-M203 HydrophobicContact CE1-CB 4.37Å; I128-M203 HydrophobicContact CG2-CE 3.87Å; V199-M203 WeakPolarHBondContact O-CB 3.15Å; V199-M203 PolarHBondContact O-N 3.07Å; S200-M203 WeakPolarHBondContact O-CB 3.49Å; S200-M203 PolarHBondContact O-N 2.88Å; M203-R205 VanDerWaalsContact C-N 3.34Å; M203-R205 PolarHBondContact O-N 3.3Å; M203-S206 PolarHBondContact O-N 3.25Å; M203-L207 HydrophobicContact CE-CD1 4.1Å; M203-L207 HydrophobicContact CE-CD2 4.39Å; M203-L207 HydrophobicContact CE-CG 4.4Å; M203-L207 HydrophobicContact CG-CD1 4.27Å; M203-L207 WeakPolarHBondContact O-CG 3.38Å; M203-L207 PolarHBondContact O-N 3.03Å; M203-L207 HydrophobicContact SD-CD1 4.29Å; M203-L207 HydrophobicContact SD-CG 4.22Å
204V96.2Very high94.2Very high9 Ų970.3 Ų70.36%0.05535%0.347CS..Hα-helixtrans-57.5-46.9177175.20000110.9Y77 P136 I138 S200 V201 S206 L207 N208Y77-V204 HydrophobicContact CD1-CG2 3.91Å; Y77-V204 HydrophobicContact CE1-CG2 3.59Å; P136-V204 HydrophobicContact CB-CG1 4.29Å; P136-V204 HydrophobicContact CB-CG2 4.06Å; P136-V204 HydrophobicContact CG-CG2 4.3Å; I138-V204 HydrophobicContact CG1-CG1 4.22Å; S200-V204 WeakPolarHBondContact O-CG2 3.49Å; S200-V204 PolarHBondContact O-N 3.39Å; V201-V204 PolarHBondContact O-N 3.44Å; V204-S206 PolarHBondContact O-N 3.46Å; V204-L207 PolarHBondContact O-N 2.85Å; V204-N208 PolarHBondContact O-N 2.8Å; V204-N208 VanDerWaalsContact O-N 3.14Å; V204-N208 PolarHBondContact O-ND2 3.42Å
205R95.5Very high93.8Very high127 Ų12770.8 Ų70.848%0.47935%0.346SS..Hα-helixtrans-62.2-42.7178.5-73.2175.7176.8177.5-0112.4V201 L202 M203 N208 K209V201-R205 WeakPolarHBondContact O-CB 3.21Å; V201-R205 WeakPolarHBondContact O-CG 3.5Å; V201-R205 PolarHBondContact O-N 2.98Å; L202-R205 PolarHBondContact O-N 2.88Å; M203-R205 VanDerWaalsContact C-N 3.34Å; M203-R205 PolarHBondContact O-N 3.3Å; R205-N208 PolarHBondContact O-N 3.27Å; R205-K209 WeakPolarHBondContact O-CB 3.39Å; R205-K209 PolarHBondContact O-N 3.46Å
206S95.6Very high93.5Very high66 Ų6667.8 Ų67.846%0.46234%0.335SS..Hα-helixtrans-62.4-45179.2-178.60000112.1L202 M203 V204 N208 K209 T210L202-S206 VanDerWaalsContact O-CB 3.28Å; L202-S206 WeakPolarHBondContact O-CB 3.25Å; L202-S206 PolarHBondContact O-N 2.81Å; M203-S206 PolarHBondContact O-N 3.25Å; V204-S206 PolarHBondContact O-N 3.46Å; S206-N208 VanDerWaalsContact C-N 3.35Å; S206-N208 PolarHBondContact O-N 3.4Å; S206-K209 PolarHBondContact O-N 3.37Å; S206-T210 WeakPolarHBondContact O-CB 3.37Å; S206-T210 PolarHBondContact O-N 3.47Å; S206-T210 PolarHBondContact O-OG1 3.28Å
207L95.1Very high93.1Very high12 Ų1270.5 Ų70.56%0.06335%0.354CS..Hα-helixtrans-62.9-40.4177.8-67.6176.2000112.3A131 L132 M203 V204 Q211A131-L207 HydrophobicContact CB-CD1 3.84Å; L132-L207 HydrophobicContact CD2-CD2 3.65Å; M203-L207 HydrophobicContact CE-CD1 4.1Å; M203-L207 HydrophobicContact CE-CD2 4.39Å; M203-L207 HydrophobicContact CE-CG 4.4Å; M203-L207 HydrophobicContact CG-CD1 4.27Å; M203-L207 WeakPolarHBondContact O-CG 3.38Å; M203-L207 PolarHBondContact O-N 3.03Å; M203-L207 HydrophobicContact SD-CD1 4.29Å; M203-L207 HydrophobicContact SD-CG 4.22Å; V204-L207 PolarHBondContact O-N 2.85Å; L207-Q211 PolarHBondContact O-N 2.92Å
208N94Very high92.7Very high38 Ų3876.4 Ų76.420%0.20338%0.38CS..Hα-helixtrans-70.6-42.6177.6-80.6-86.3000112.6P136 I138 V204 R205 S206 T210 Q211 Y212P136-N208 PolarHBondContact O-ND2 2.71Å; I138-N208 HydrophobicContact CD1-CB 3.94Å; I138-N208 HydrophobicContact CG1-CB 4.13Å; V204-N208 PolarHBondContact O-N 2.8Å; V204-N208 VanDerWaalsContact O-N 3.14Å; V204-N208 PolarHBondContact O-ND2 3.42Å; R205-N208 PolarHBondContact O-N 3.27Å; S206-N208 VanDerWaalsContact C-N 3.35Å; S206-N208 PolarHBondContact O-N 3.4Å; N208-T210 VanDerWaalsContact C-N 3.26Å; N208-T210 PolarHBondContact O-N 3.39Å; N208-Q211 WeakPolarHBondContact O-CB 3.12Å; N208-Q211 PolarHBondContact O-N 3.5Å; N208-Q211 VanDerWaalsContact O-N 3.09Å; N208-Y212 PolarHBondContact O-N 3.14Å
209K92.5Very high92.4Very high141 Ų14179.2 Ų79.261%0.61339%0.391SS*.Hα-helixtrans-58.4-41.6175.4-175.8176.3-177.4176.30111.3R205 S206 Q211 Y212 K213R205-K209 WeakPolarHBondContact O-CB 3.39Å; R205-K209 PolarHBondContact O-N 3.46Å; S206-K209 PolarHBondContact O-N 3.37Å; K209-Q211 VanDerWaalsContact C-N 3.31Å; K209-Q211 PolarHBondContact O-N 3.2Å; K209-Y212 PolarHBondContact O-N 3.45Å; K209-K213 WeakPolarHBondContact O-CG 3.25Å; K209-K213 PolarHBondContact O-N 2.99Å; K209-K213 VanDerWaalsContact O-N 3.09Å
210T87.3Confident92Very high52 Ų5281.3 Ų81.332%0.31940%0.396SS..Hα-helixtrans-63.7-37.3177-57.20000111.6S206 N208 R214S206-T210 WeakPolarHBondContact O-CB 3.37Å; S206-T210 PolarHBondContact O-N 3.47Å; S206-T210 PolarHBondContact O-OG1 3.28Å; N208-T210 VanDerWaalsContact C-N 3.26Å; N208-T210 PolarHBondContact O-N 3.39Å; T210-R214 WeakPolarHBondContact O-CG 3.26Å; T210-R214 PolarHBondContact O-N 3.05Å
211Q86.4Confident91.6Very high78 Ų7887.7 Ų87.736%0.36443%0.425SS..Hα-helixtrans-67.8-45.8176.1179.3174.2-24.700112.4R135 L207 N208 K209 K213 R214 L215R135-Q211 VanDerWaalsContact CD-OE1 3.26Å; L207-Q211 PolarHBondContact O-N 2.92Å; N208-Q211 WeakPolarHBondContact O-CB 3.12Å; N208-Q211 PolarHBondContact O-N 3.5Å; N208-Q211 VanDerWaalsContact O-N 3.09Å; K209-Q211 VanDerWaalsContact C-N 3.31Å; K209-Q211 PolarHBondContact O-N 3.2Å; Q211-K213 PolarHBondContact O-N 3.1Å; Q211-R214 PolarHBondContact O-N 3.2Å; Q211-L215 HydrophobicContact CG-CD1 4.04Å; Q211-L215 WeakPolarHBondContact O-CG 3.5Å; Q211-L215 PolarHBondContact O-N 3.42Å
212Y85.8Confident91.3Very high174 Ų17494.8 Ų94.868%0.68245%0.45SS*.Hα-helixtrans-58.8-46.5177-178.7-97.7000111.6N208 K209 R214 L215 S216N208-Y212 PolarHBondContact O-N 3.14Å; K209-Y212 PolarHBondContact O-N 3.45Å; Y212-R214 PolarHBondContact O-N 2.96Å; Y212-L215 PolarHBondContact O-N 3.07Å; Y212-S216 PolarHBondContact O-N 3.38Å; Y212-S216 PolarHBondContact O-OG 3.32Å
213K89.3Confident90.9Very high126 Ų12692.5 Ų92.555%0.54844%0.44SS..Hα-helixtrans-56.7-47.1176.2-75.4-174.5173.8-167.30112.3K209 Q211 L215 S216 S217K209-K213 WeakPolarHBondContact O-CG 3.25Å; K209-K213 PolarHBondContact O-N 2.99Å; K209-K213 VanDerWaalsContact O-N 3.09Å; Q211-K213 PolarHBondContact O-N 3.1Å; K213-L215 VanDerWaalsContact C-N 3.32Å; K213-L215 PolarHBondContact O-N 2.8Å; K213-S216 WeakPolarHBondContact CA-OG 3.44Å; K213-S216 PolarHBondContact O-N 3.33Å; K213-S216 PolarHBondContact O-OG 3.19Å; K213-S217 PolarHBondContact O-N 3.08Å; K213-S217 PolarHBondContact O-OG 3.33Å
214R87Confident90.5Very high143 Ų14395.2 Ų95.254%0.5445%0.453SS..Hα-helixtrans-64-34.8178.2-73.2175.9180-172.6-0.3113.3T210 Q211 Y212 S217 K218T210-R214 WeakPolarHBondContact O-CG 3.26Å; T210-R214 PolarHBondContact O-N 3.05Å; Q211-R214 PolarHBondContact O-N 3.2Å; Y212-R214 PolarHBondContact O-N 2.96Å; R214-S217 PolarHBondContact O-OG 3.48Å; R214-K218 WeakPolarHBondContact O-CB 3.4Å; R214-K218 VanDerWaalsContact O-CG 3.31Å; R214-K218 WeakPolarHBondContact O-CG 3.14Å; R214-K218 PolarHBondContact O-N 3.25Å
215L89.4Confident90.1Very high95 Ų95104 Ų10450%0.49749%0.485SS..Hα-helixtrans-70.9-44.8175.8-73167.8000110.6Q211 Y212 K213 S217 K218 T219Q211-L215 HydrophobicContact CG-CD1 4.04Å; Q211-L215 WeakPolarHBondContact O-CG 3.5Å; Q211-L215 PolarHBondContact O-N 3.42Å; Y212-L215 PolarHBondContact O-N 3.07Å; K213-L215 VanDerWaalsContact C-N 3.32Å; K213-L215 PolarHBondContact O-N 2.8Å; L215-S217 PolarHBondContact O-N 3.49Å; L215-K218 PolarHBondContact O-N 3.23Å; L215-T219 PolarHBondContact O-N 2.88Å; L215-T219 PolarHBondContact O-OG1 3.3Å
216S91Very high89.5Confident54 Ų54105 Ų10538%0.37849%0.493SS..Hα-helixtrans-60.2-43.7177.465.20000112.5Y212 K213 T219 Q220Y212-S216 PolarHBondContact O-N 3.38Å; Y212-S216 PolarHBondContact O-OG 3.32Å; K213-S216 WeakPolarHBondContact CA-OG 3.44Å; K213-S216 PolarHBondContact O-N 3.33Å; K213-S216 PolarHBondContact O-OG 3.19Å; S216-T219 PolarHBondContact O-N 3.11Å; S216-Q220 WeakPolarHBondContact O-CB 3.29Å; S216-Q220 PolarHBondContact O-N 3.24Å
217S90.8Very high88.9Confident62 Ų62109.2 Ų109.243%0.43451%0.505SS..Hα-helixtrans-67.2-38.9179.367.70000112.6K213 R214 L215 Q220 Q221K213-S217 PolarHBondContact O-N 3.08Å; K213-S217 PolarHBondContact O-OG 3.33Å; R214-S217 PolarHBondContact O-OG 3.48Å; L215-S217 PolarHBondContact O-N 3.49Å; S217-Q220 PolarHBondContact O-N 3.11Å; S217-Q221 WeakPolarHBondContact O-CB 3.5Å; S217-Q221 PolarHBondContact O-N 3.22Å
218K89.6Confident88.1Confident144 Ų144112.7 Ų112.763%0.62653%0.53SS*.Hα-helixtrans-66.1-38.9174.5-77.4-177.3177-170.40112.4R214 L215 R222R214-K218 WeakPolarHBondContact O-CB 3.4Å; R214-K218 VanDerWaalsContact O-CG 3.31Å; R214-K218 WeakPolarHBondContact O-CG 3.14Å; R214-K218 PolarHBondContact O-N 3.25Å; L215-K218 PolarHBondContact O-N 3.23Å; K218-R222 WeakPolarHBondContact O-CB 3.48Å; K218-R222 PolarHBondContact O-N 3.32Å
219T90.1Very high86.9Confident90 Ų90115.3 Ų115.355%0.55255%0.548SS*.Hα-helixtrans-64.3-46.9175.5-60.70000110.3L215 S216 R222 T223L215-T219 PolarHBondContact O-N 2.88Å; L215-T219 PolarHBondContact O-OG1 3.3Å; S216-T219 PolarHBondContact O-N 3.11Å; T219-R222 PolarHBondContact O-N 3.25Å; T219-T223 PolarHBondContact O-N 3.2Å; T219-T223 PolarHBondContact O-OG1 2.66Å; T219-T223 VanDerWaalsContact O-OG1 3.12Å
220Q90.2Very high85.4Confident116 Ų116113 Ų11354%0.54255%0.547SS..Hα-helixtrans-58.7-49.9176.8-176.6177.4-6.800111.8S216 S217 R222 T223 E224S216-Q220 WeakPolarHBondContact O-CB 3.29Å; S216-Q220 PolarHBondContact O-N 3.24Å; S217-Q220 PolarHBondContact O-N 3.11Å; Q220-R222 PolarHBondContact O-N 3.21Å; Q220-T223 WeakPolarHBondContact O-CB 3.34Å; Q220-T223 PolarHBondContact O-N 2.8Å; Q220-E224 HydrophobicContact CG-CG 4.49Å; Q220-E224 WeakPolarHBondContact CG-OE1 3.5Å; Q220-E224 PolarHBondContact NE2-OE1 3.42Å; Q220-E224 WeakPolarHBondContact O-CG 3.34Å; Q220-E224 PolarHBondContact O-N 3.2Å
221Q89.1Confident84.1Confident133 Ų133117.4 Ų117.462%0.62157%0.574SS**Hα-helixtrans-60-33.9177.8-169.5-177.815.600112.6S217 R225S217-Q221 WeakPolarHBondContact O-CB 3.5Å; S217-Q221 PolarHBondContact O-N 3.22Å; Q221-R225 VanDerWaalsContact O-CB 3.28Å; Q221-R225 WeakPolarHBondContact O-CB 3.26Å; Q221-R225 PolarHBondContact O-N 3.3Å
222R90.1Very high82.5Confident173 Ų173121.8 Ų121.865%0.65359%0.594SS**Hα-helixtrans-72-34.8176-171178.9-177.1-169.20.9112.1K218 T219 Q220 K226K218-R222 WeakPolarHBondContact O-CB 3.48Å; K218-R222 PolarHBondContact O-N 3.32Å; T219-R222 PolarHBondContact O-N 3.25Å; Q220-R222 PolarHBondContact O-N 3.21Å; R222-K226 WeakPolarHBondContact O-CG 3.33Å; R222-K226 PolarHBondContact O-N 2.9Å
223T88.7Confident80.9Confident66 Ų66118.8 Ų118.841%0.40560%0.598SS.*Hα-helixtrans-68.6-50.3174.9-56.70000110.5T219 Q220 R225 K226 E227T219-T223 PolarHBondContact O-N 3.2Å; T219-T223 PolarHBondContact O-OG1 2.66Å; T219-T223 VanDerWaalsContact O-OG1 3.12Å; Q220-T223 WeakPolarHBondContact O-CB 3.34Å; Q220-T223 PolarHBondContact O-N 2.8Å; T223-R225 VanDerWaalsContact C-N 3.32Å; T223-R225 PolarHBondContact O-N 2.91Å; T223-K226 WeakPolarHBondContact O-CB 3.49Å; T223-K226 PolarHBondContact O-N 3.17Å; T223-E227 PolarHBondContact O-N 3.44Å
224E87.2Confident79Confident100 Ų100122 Ų12247%0.46761%0.612SS.*Hα-helixtrans-57.5-43.2176.8-70.6170.2-173.900111.7Q220 K226 E227 S228Q220-E224 HydrophobicContact CG-CG 4.49Å; Q220-E224 WeakPolarHBondContact CG-OE1 3.5Å; Q220-E224 PolarHBondContact NE2-OE1 3.42Å; Q220-E224 WeakPolarHBondContact O-CG 3.34Å; Q220-E224 PolarHBondContact O-N 3.2Å; E224-K226 VanDerWaalsContact C-N 3.3Å; E224-K226 PolarHBondContact O-N 2.96Å; E224-E227 PolarHBondContact O-N 3.37Å; E224-S228 WeakPolarHBondContact O-CB 3.45Å; E224-S228 PolarHBondContact O-N 3.09Å; E224-S228 PolarHBondContact O-OG 3.01Å
225R87.3Confident77.2Confident194 Ų194124.3 Ų124.373%0.73263%0.629SS**Hα-helixtrans-64.1-31.6175.7-173.2178.2-179-167.91.7113.2Q221 T223 S228 V229Q221-R225 VanDerWaalsContact O-CB 3.28Å; Q221-R225 WeakPolarHBondContact O-CB 3.26Å; Q221-R225 PolarHBondContact O-N 3.3Å; T223-R225 VanDerWaalsContact C-N 3.32Å; T223-R225 PolarHBondContact O-N 2.91Å; R225-S228 PolarHBondContact O-OG 3.35Å; R225-V229 WeakPolarHBondContact O-CG2 3.08Å
226K83.1Confident75.3Confident149 Ų149129.8 Ų129.865%0.64865%0.649SS**Hα-helixtrans-73.3-36.6176.4-79.9179.7175-171.60111.5R222 T223 E224R222-K226 WeakPolarHBondContact O-CG 3.33Å; R222-K226 PolarHBondContact O-N 2.9Å; T223-K226 WeakPolarHBondContact O-CB 3.49Å; T223-K226 PolarHBondContact O-N 3.17Å; E224-K226 VanDerWaalsContact C-N 3.3Å; E224-K226 PolarHBondContact O-N 2.96Å
227E82.6Confident73.3Confident153 Ų153137.3 Ų137.372%0.71568%0.675SS**Hα-helixtrans-72.6-31.9176.7-69.6174.5-175.400112.3T223 E224 V229T223-E227 PolarHBondContact O-N 3.44Å; E224-E227 PolarHBondContact O-N 3.37Å; E227-V229 VanDerWaalsContact C-N 3.35Å; E227-V229 PolarHBondContact O-N 3.32Å
228S79.2Confident71.3Confident85 Ų85138.8 Ų138.859%0.59469%0.685SS**THydrogen-bonded Turntrans-79.7-8.5-179.775.40000114.8E224 R225 P230E224-S228 WeakPolarHBondContact O-CB 3.45Å; E224-S228 PolarHBondContact O-N 3.09Å; E224-S228 PolarHBondContact O-OG 3.01Å; R225-S228 PolarHBondContact O-OG 3.35Å; S228-P230 WeakPolarHBondContact O-CD 3.37Å
229V68.5Low69.3Low94 Ų94141.9 Ų141.957%0.5770%0.699SS**SBendtrans-76.8110.7172.4176.20000107.4R225 E227 V231R225-V229 WeakPolarHBondContact O-CG2 3.08Å; E227-V229 VanDerWaalsContact C-N 3.35Å; E227-V229 PolarHBondContact O-N 3.32Å; V229-V231 PolarHBondContact O-N 3.07Å
230P61.4Low67.3Low93 Ų93145.9 Ų145.960%0.60471%0.708SS**  trans-60.4138.6178.6-16.730.8000109.1S228 Q232S228-P230 WeakPolarHBondContact O-CD 3.37Å; P230-Q232 HydrophobicContact CB-CG 4.18Å; P230-Q232 PolarHBondContact O-N 2.73Å
231V60.4Low65.5Low144 Ų144146 Ų14687%0.87372%0.717SS**  trans-68.965.5166.9-175.10000108.6V229V229-V231 PolarHBondContact O-N 3.07Å
232Q51.3Low63.8Low169 Ų169150.9 Ų150.979%0.7975%0.747SS**  trans-104.384.2169.7-78.8-169.1-4.400108.2P230P230-Q232 HydrophobicContact CB-CG 4.18Å; P230-Q232 PolarHBondContact O-N 2.73Å
233S51.9Low62.4Low111 Ų111149.8 Ų149.878%0.77675%0.752SS**SBendtrans15859.7149.9540000112.8
234K51.1Low61.1Low193 Ų193154.2 Ų154.284%0.83977%0.77SS**SBendtrans-120.84.6153.1-85.2-168.4176.7-177.70114.5
235H48.3Very low59.6Low192 Ų192157.2 Ų157.289%0.88979%0.787SS**SBendtrans-116.966.9170.2-91.4-3.2000111.6
236K48.8Very low58Low210 Ų210155 Ų15591%0.91379%0.79SS**SBendtrans-155.344.6156.6-113.6-173.7-170.1-176.60111.9
237K48.8Very low56.4Low212 Ų212155.4 Ų155.492%0.92280%0.799SS**SBendtrans-146.166.4161-88.6-168.4176.4-179.40109.3
238S50.6Low54.7Low94 Ų94155.5 Ų155.566%0.65781%0.805SS**  trans-157.564.8160.5179.60000109.7
239K47Very low52.9Low209 Ų209160.6 Ų160.691%0.90982%0.82SS**  trans-116.7105.5138.5-79.5-177.4168.8-173.30102.3
240K47.6Very low51.7Low173 Ų173165.7 Ų165.775%0.75284%0.839SS**  cis40.4111.537.2-80.7-156.2174.6-175.60110.7
241T51.6Low50.9Low119 Ų119171.8 Ų171.873%0.7386%0.859SS**  cis-163.415210.68.50000105.5
242D53.5Low50.1Low235 Ų235174.3 Ų174.3100%1.25786%0.858SS**  trans-18.10159.7-49.9-41.6000116.8

Retrieved 242 of 242 residues in 63.5 ms (Link to these results)

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