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Gap junction beta-2 protein

Structural component of gap junctions. Gap junctions are dodecameric channels that connect the cytoplasm of adjoining cells. They are formed by the docking of two hexameric hemichannels, one from each cell membrane. Small molecules and ions diffuse from one cell to a neighboring cell via the central pore.

AlphaFold DB , UniProt , Accession Q8MIT8, Species MACMU (Macaca mulatta, Rhesus macaque), Gene GJB2, Length 226 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
1M50.5Low68.2Low163 Ų16380.4 Ų80.480%0.80346%0.462SS*.  0108.70-139.5160.29600106.5W3M1-W3 HydrophobicContact CE-CH2 3.39Å; M1-W3 HydrophobicContact CE-CZ2 3.4Å; M1-W3 VanDerWaalsContact CE-CZ2 3.4Å; M1-W3 HydrophobicContact CE-CZ3 4.06Å; M1-W3 VanDerWaalsContact O-CD1 3.28Å; M1-W3 PolarHBondContact O-N 3.28Å
2D69Low68.2Low142 Ų14276.8 Ų76.876%0.75946%0.455SS*.  trans-77.885.5-173.3-77.4-29.2000111.4G4 A5D2-G4 PolarHBondContact O-N 3.04Å; D2-G4 VanDerWaalsContact O-N 3.17Å; D2-A5 HydrophobicContact CB-CB 4.43Å; D2-A5 PolarHBondContact O-N 3Å; D2-A5 VanDerWaalsContact O-N 3.16Å
3W67.9Low68.3Low74 Ų7471.2 Ų71.228%0.2842%0.423SS..Hα-helixtrans-57.7-25.5174.4-63.2108.7000112.7M1 L6 Q7 I33 V37 L81M1-W3 HydrophobicContact CE-CH2 3.39Å; M1-W3 HydrophobicContact CE-CZ2 3.4Å; M1-W3 VanDerWaalsContact CE-CZ2 3.4Å; M1-W3 HydrophobicContact CE-CZ3 4.06Å; M1-W3 VanDerWaalsContact O-CD1 3.28Å; M1-W3 PolarHBondContact O-N 3.28Å; W3-L6 HydrophobicContact CE3-CD2 3.92Å; W3-L6 HydrophobicContact CZ3-CD2 4Å; W3-L6 PolarHBondContact O-N 3.22Å; W3-Q7 WeakPolarHBondContact O-CB 3.4Å; W3-Q7 PolarHBondContact O-N 3.47Å; W3-I33 HydrophobicContact CE3-CG2 4.33Å; W3-V37 HydrophobicContact CD2-CG2 4.5Å; W3-V37 HydrophobicContact CG-CG2 4.31Å; W3-L81 HydrophobicContact CZ3-CD2 4.41Å
4G72.7Confident68.6Low44 Ų4470.6 Ų70.645%0.45442%0.416SS..Hα-helixtrans-65.7-35.9176.200000114.1D2 Q7 T8D2-G4 PolarHBondContact O-N 3.04Å; D2-G4 VanDerWaalsContact O-N 3.17Å; G4-Q7 PolarHBondContact O-N 2.54Å; G4-T8 PolarHBondContact O-N 3.02Å; G4-T8 PolarHBondContact O-OG1 2.97Å
5A73.4Confident68.5Low53 Ų5375 Ų7544%0.43843%0.428SS..Hα-helixtrans-67.8-45.3175.600000110.4D2 Q7 T8 I9D2-A5 HydrophobicContact CB-CB 4.43Å; D2-A5 PolarHBondContact O-N 3Å; D2-A5 VanDerWaalsContact O-N 3.16Å; A5-Q7 PolarHBondContact O-N 2.83Å; A5-T8 PolarHBondContact O-N 3.4Å; A5-I9 WeakPolarHBondContact O-CG1 3.43Å; A5-I9 PolarHBondContact O-N 2.76Å
6L67.1Low68.4Low42 Ų4273.4 Ų73.422%0.2241%0.413CS..Hα-helixtrans-58-40.5174.1-171.471.4000110.8W3 I9 L10 I33 L81W3-L6 HydrophobicContact CE3-CD2 3.92Å; W3-L6 HydrophobicContact CZ3-CD2 4Å; W3-L6 PolarHBondContact O-N 3.22Å; L6-I9 PolarHBondContact O-N 3.18Å; L6-L10 HydrophobicContact CD1-CD1 4.13Å; L6-L10 HydrophobicContact CD1-CG 4.32Å; L6-L10 HydrophobicContact CD2-CD1 4.27Å; L6-L10 HydrophobicContact CG-CD1 3.81Å; L6-L10 HydrophobicContact CG-CG 4.34Å; L6-L10 WeakPolarHBondContact O-CB 3.31Å; L6-L10 WeakPolarHBondContact O-CG 3.34Å; L6-L10 PolarHBondContact O-N 3.26Å; L6-I33 HydrophobicContact CD2-CD1 4.4Å; L6-L81 HydrophobicContact CD2-CD2 3.87Å
7Q67.1Low68.6Low119 Ų11970.2 Ų70.256%0.55640%0.397SS*.Hα-helixtrans-64.7-40.2177.9179.317211.600113.7W3 G4 A5 G11 F29W3-Q7 WeakPolarHBondContact O-CB 3.4Å; W3-Q7 PolarHBondContact O-N 3.47Å; G4-Q7 PolarHBondContact O-N 2.54Å; A5-Q7 PolarHBondContact O-N 2.83Å; Q7-G11 PolarHBondContact O-N 3.3Å; Q7-F29 HydrophobicContact CB-CE1 3.63Å; Q7-F29 HydrophobicContact CB-CZ 4.19Å; Q7-F29 HydrophobicContact CG-CD1 4.25Å; Q7-F29 HydrophobicContact CG-CE1 3.5Å; Q7-F29 VanDerWaalsContact CG-CE1 3.5Å; Q7-F29 HydrophobicContact CG-CZ 4.04Å; Q7-F29 VanDerWaalsContact O-CZ 3.28Å; Q7-F29 WeakPolarHBondContact O-CZ 3.28Å
8T74Confident69.2Low109 Ų10966.9 Ų66.967%0.66938%0.379SS*.Hα-helixtrans-66.5-44.2176.8-54.90000111G4 A5 G11 G12G4-T8 PolarHBondContact O-N 3.02Å; G4-T8 PolarHBondContact O-OG1 2.97Å; A5-T8 PolarHBondContact O-N 3.4Å; T8-G11 PolarHBondContact O-N 3.07Å; T8-G12 PolarHBondContact O-N 3.31Å; T8-G12 VanDerWaalsContact O-N 3.14Å
9I72.5Confident69.8Low99 Ų9967.7 Ų67.751%0.50839%0.389SS..Hα-helixtrans-66.3-51.2-178.4-63.4165.5000110.5A5 L6 G11 G12 V13 L89A5-I9 WeakPolarHBondContact O-CG1 3.43Å; A5-I9 PolarHBondContact O-N 2.76Å; L6-I9 PolarHBondContact O-N 3.18Å; I9-G11 VanDerWaalsContact C-N 3.31Å; I9-G11 PolarHBondContact O-N 3.27Å; I9-G12 PolarHBondContact O-N 2.93Å; I9-G12 VanDerWaalsContact O-N 3.13Å; I9-V13 PolarHBondContact O-N 3.36Å; I9-L89 HydrophobicContact CB-CD2 4.5Å; I9-L89 HydrophobicContact CG2-CD2 3.37Å
10L67.5Low70.4Confident1 Ų166.5 Ų66.51%0.00538%0.381CS..Hα-helixtrans-66.9-32.3-179.7-74.9174.7000111.6L6 G12 V13 F29 L89L6-L10 HydrophobicContact CD1-CD1 4.13Å; L6-L10 HydrophobicContact CD1-CG 4.32Å; L6-L10 HydrophobicContact CD2-CD1 4.27Å; L6-L10 HydrophobicContact CG-CD1 3.81Å; L6-L10 HydrophobicContact CG-CG 4.34Å; L6-L10 WeakPolarHBondContact O-CB 3.31Å; L6-L10 WeakPolarHBondContact O-CG 3.34Å; L6-L10 PolarHBondContact O-N 3.26Å; L10-G12 VanDerWaalsContact C-N 3.29Å; L10-G12 PolarHBondContact O-N 3.15Å; L10-V13 HydrophobicContact CD2-CG2 4.48Å; L10-V13 VanDerWaalsContact O-CB 3.27Å; L10-V13 WeakPolarHBondContact O-CB 3.24Å; L10-V13 PolarHBondContact O-N 2.71Å; L10-V13 VanDerWaalsContact O-N 3.12Å; L10-F29 HydrophobicContact CB-CD2 4.36Å; L10-F29 HydrophobicContact CB-CE1 4.26Å; L10-F29 HydrophobicContact CB-CE2 3.21Å; L10-F29 HydrophobicContact CB-CZ 3.16Å; L10-F29 HydrophobicContact CD1-CE1 4.44Å; L10-F29 HydrophobicContact CD1-CE2 4.24Å; L10-F29 HydrophobicContact CD1-CZ 4.03Å; L10-F29 HydrophobicContact CG-CE2 4.36Å; L10-F29 HydrophobicContact CG-CZ 4.23Å; L10-L89 HydrophobicContact CD2-CD2 3.65Å; L10-L89 HydrophobicContact CD2-CG 3.96Å; L10-L89 HydrophobicContact CG-CD2 4.23Å
11G68.2Low70.9Confident38 Ų3863.4 Ų63.439%0.39236%0.363SS..Hα-helixtrans-62.3-35.4171.900000112.8Q7 T8 I9 V13 N14Q7-G11 PolarHBondContact O-N 3.3Å; T8-G11 PolarHBondContact O-N 3.07Å; I9-G11 VanDerWaalsContact C-N 3.31Å; I9-G11 PolarHBondContact O-N 3.27Å; G11-V13 VanDerWaalsContact C-N 3.26Å; G11-V13 PolarHBondContact O-N 2.96Å; G11-N14 WeakPolarHBondContact O-CB 3.5Å; G11-N14 PolarHBondContact O-N 3.25Å
12G68Low72.5Confident37 Ų3759.9 Ų59.938%0.38134%0.343SS..Hα-helixtrans-63.5-28.417300000113.8T8 I9 L10 N14 K15 Y16T8-G12 PolarHBondContact O-N 3.31Å; T8-G12 VanDerWaalsContact O-N 3.14Å; I9-G12 PolarHBondContact O-N 2.93Å; I9-G12 VanDerWaalsContact O-N 3.13Å; L10-G12 VanDerWaalsContact C-N 3.29Å; L10-G12 PolarHBondContact O-N 3.15Å; G12-N14 VanDerWaalsContact C-N 3.26Å; G12-N14 PolarHBondContact O-N 2.93Å; G12-K15 PolarHBondContact O-N 2.63Å; G12-Y16 WeakPolarHBondContact O-CD2 3.4Å; G12-Y16 WeakPolarHBondContact O-CE2 3.26Å
13V69.9Low73.4Confident5 Ų557.7 Ų57.73%0.0333%0.331CS..Hα-helixtrans-65.8-31.3176.8-173.30000111.4I9 L10 G11 K15 Y16 S17 L25 L89 A92I9-V13 PolarHBondContact O-N 3.36Å; L10-V13 HydrophobicContact CD2-CG2 4.48Å; L10-V13 VanDerWaalsContact O-CB 3.27Å; L10-V13 WeakPolarHBondContact O-CB 3.24Å; L10-V13 PolarHBondContact O-N 2.71Å; L10-V13 VanDerWaalsContact O-N 3.12Å; G11-V13 VanDerWaalsContact C-N 3.26Å; G11-V13 PolarHBondContact O-N 2.96Å; V13-K15 PolarHBondContact O-N 3.37Å; V13-Y16 PolarHBondContact O-N 3.31Å; V13-S17 PolarHBondContact O-N 3.08Å; V13-S17 PolarHBondContact O-OG 3.29Å; V13-L25 HydrophobicContact CB-CD1 4.08Å; V13-L25 HydrophobicContact CG1-CD1 4.01Å; V13-L89 HydrophobicContact CG2-CD2 4.07Å; V13-A92 HydrophobicContact CB-CB 4.15Å; V13-A92 HydrophobicContact CG1-CB 3.99Å; V13-A92 HydrophobicContact CG2-CB 3.6Å
14N72.7Confident74.4Confident62 Ų6254.1 Ų54.133%0.33232%0.317SS..THydrogen-bonded Turntrans-57.3-26.4-178.4-15913.1000112.7G11 G12 Y16 K22 L25G11-N14 WeakPolarHBondContact O-CB 3.5Å; G11-N14 PolarHBondContact O-N 3.25Å; G12-N14 VanDerWaalsContact C-N 3.26Å; G12-N14 PolarHBondContact O-N 2.93Å; N14-Y16 PolarHBondContact O-N 2.81Å; N14-K22 VanDerWaalsContact O-CE 3.26Å; N14-K22 WeakPolarHBondContact O-CE 3.39Å; N14-K22 VanDerWaalsContact OD1-CB 3.27Å; N14-K22 WeakPolarHBondContact OD1-CB 3.43Å; N14-K22 WeakPolarHBondContact OD1-CD 3.37Å; N14-K22 WeakPolarHBondContact OD1-CG 3.31Å; N14-L25 HydrophobicContact CB-CD1 4.18Å
15K67.4Low74.9Confident137 Ų13752.3 Ų52.360%0.59630%0.297SS*.THydrogen-bonded Turntrans-68.9-20.8175.9-168.2169.8-176.4174.60113.3G12 V13G12-K15 PolarHBondContact O-N 2.63Å; V13-K15 PolarHBondContact O-N 3.37Å
16Y67.3Low75.4Confident49 Ų4952.8 Ų52.819%0.19230%0.295CS..THydrogen-bonded Turntrans-113.6-6.2-170.5-50.8-58.1000113.9G12 V13 N14 A92 V95 V126G12-Y16 WeakPolarHBondContact O-CD2 3.4Å; G12-Y16 WeakPolarHBondContact O-CE2 3.26Å; V13-Y16 PolarHBondContact O-N 3.31Å; N14-Y16 PolarHBondContact O-N 2.81Å; Y16-A92 HydrophobicContact CD2-CB 4.36Å; Y16-V95 HydrophobicContact CD1-CB 4.42Å; Y16-V95 HydrophobicContact CD1-CG1 3.42Å; Y16-V95 VanDerWaalsContact CD1-CG1 3.42Å; Y16-V95 HydrophobicContact CD2-CG1 4.46Å; Y16-V95 HydrophobicContact CE1-CG1 3.79Å; Y16-V95 HydrophobicContact CG-CB 4.33Å; Y16-V95 HydrophobicContact CG-CG1 3.78Å; Y16-V126 HydrophobicContact CD1-CG2 3.85Å; Y16-V126 HydrophobicContact CE1-CG2 4.43Å
17S71.6Confident76.3Confident19 Ų1951.9 Ų51.913%0.13329%0.291CS..SBendtrans-88.9153.8-178.4-60.60000113.3V13 K22V13-S17 PolarHBondContact O-N 3.08Å; V13-S17 PolarHBondContact O-OG 3.29Å; S17-K22 WeakPolarHBondContact O-CE 3.46Å
18T78.4Confident77.1Confident11 Ų1146.2 Ų46.27%0.06726%0.264CS..  trans-63.3163.6167.774.10000110.5I20 G21 K22 I128 Y136 E209 V226T18-I20 PolarHBondContact O-N 3.23Å; T18-I20 VanDerWaalsContact O-N 3.15Å; T18-I20 PolarHBondContact OG1-N 2.94Å; T18-G21 CarbonylContact O-C 3.5Å; T18-G21 WeakPolarHBondContact O-CA 3.39Å; T18-G21 PolarHBondContact O-N 2.85Å; T18-G21 PolarHBondContact OG1-N 2.87Å; T18-G21 VanDerWaalsContact OG1-N 3.08Å; T18-K22 VanDerWaalsContact O-CG 3.31Å; T18-K22 WeakPolarHBondContact O-CG 3.44Å; T18-K22 PolarHBondContact O-N 2.96Å; T18-I128 HydrophobicContact CG2-CD1 3.72Å; T18-Y136 HydrophobicContact CG2-CE1 3.85Å; T18-Y136 WeakPolarHBondContact CG2-OH 3.26Å; T18-E209 WeakPolarHBondContact CB-OE1 3.07Å; T18-E209 WeakPolarHBondContact CG2-OE1 3.43Å; T18-E209 VanDerWaalsContact OG1-CD 3.3Å; T18-E209 PolarHBondContact OG1-OE1 3.04Å; T18-V226 HydrophobicContact CG2-CG1 3.63Å
19S80.4Confident77.2Confident82 Ų8242.7 Ų42.757%0.57324%0.24SC*.Hα-helixtrans-51.8-38175.9-56.60000113.5K22 I23S19-K22 PolarHBondContact O-N 3.14Å; S19-I23 WeakPolarHBondContact O-CG1 3.32Å; S19-I23 PolarHBondContact O-N 3.43Å
20I82.7Confident77.6Confident44 Ų4442.2 Ų42.223%0.22624%0.237CC..Hα-helixtrans-70.2-44176.7-59.7172.5000110.4T18 K22 I23 W24 E209T18-I20 PolarHBondContact O-N 3.23Å; T18-I20 VanDerWaalsContact O-N 3.15Å; T18-I20 PolarHBondContact OG1-N 2.94Å; I20-K22 PolarHBondContact O-N 3.44Å; I20-I23 WeakPolarHBondContact O-CB 3.05Å; I20-I23 PolarHBondContact O-N 3.46Å; I20-I23 VanDerWaalsContact O-N 3.1Å; I20-W24 PolarHBondContact O-N 3.36Å; I20-E209 HydrophobicContact CB-CB 4.41Å; I20-E209 HydrophobicContact CB-CG 4.28Å; I20-E209 HydrophobicContact CD1-CB 4.47Å; I20-E209 HydrophobicContact CG2-CB 3.96Å; I20-E209 HydrophobicContact CG2-CG 4.34Å
21G81.5Confident78.5Confident1 Ų146.8 Ų46.81%0.0126%0.257CS..Hα-helixtrans-60.4-33.3175.700000113.1T18 W24 L25 E209T18-G21 CarbonylContact O-C 3.5Å; T18-G21 WeakPolarHBondContact O-CA 3.39Å; T18-G21 PolarHBondContact O-N 2.85Å; T18-G21 PolarHBondContact OG1-N 2.87Å; T18-G21 VanDerWaalsContact OG1-N 3.08Å; G21-W24 PolarHBondContact O-N 3.07Å; G21-L25 WeakPolarHBondContact O-CB 3.26Å; G21-L25 WeakPolarHBondContact O-CG 3.42Å; G21-L25 PolarHBondContact O-N 3.44Å; G21-E209 PolarHBondContact N-OE2 2.05Å
22K84.4Confident79.4Confident90 Ų9045.1 Ų45.139%0.39124%0.239SC..Hα-helixtrans-65.8-41.7173.6-60-170-177171.60112.3N14 S17 T18 S19 I20 L25 T26N14-K22 VanDerWaalsContact O-CE 3.26Å; N14-K22 WeakPolarHBondContact O-CE 3.39Å; N14-K22 VanDerWaalsContact OD1-CB 3.27Å; N14-K22 WeakPolarHBondContact OD1-CB 3.43Å; N14-K22 WeakPolarHBondContact OD1-CD 3.37Å; N14-K22 WeakPolarHBondContact OD1-CG 3.31Å; S17-K22 WeakPolarHBondContact O-CE 3.46Å; T18-K22 VanDerWaalsContact O-CG 3.31Å; T18-K22 WeakPolarHBondContact O-CG 3.44Å; T18-K22 PolarHBondContact O-N 2.96Å; S19-K22 PolarHBondContact O-N 3.14Å; I20-K22 PolarHBondContact O-N 3.44Å; K22-L25 PolarHBondContact O-N 3.33Å; K22-T26 WeakPolarHBondContact O-CB 3.35Å; K22-T26 PolarHBondContact O-N 2.87Å; K22-T26 PolarHBondContact O-OG1 2.97Å
23I87Confident80.2Confident95 Ų9544.1 Ų44.149%0.48723%0.225SC..Hα-helixtrans-62.3-47.6174.9-63.4165.6000109.1S19 I20 L25 T26 V27 L205S19-I23 WeakPolarHBondContact O-CG1 3.32Å; S19-I23 PolarHBondContact O-N 3.43Å; I20-I23 WeakPolarHBondContact O-CB 3.05Å; I20-I23 PolarHBondContact O-N 3.46Å; I20-I23 VanDerWaalsContact O-N 3.1Å; I23-L25 PolarHBondContact O-N 2.9Å; I23-T26 WeakPolarHBondContact O-CB 3.47Å; I23-T26 PolarHBondContact O-N 3.36Å; I23-T26 VanDerWaalsContact O-N 3.16Å; I23-V27 HydrophobicContact CG2-CG2 4.4Å; I23-V27 WeakPolarHBondContact O-CG2 3.27Å; I23-V27 PolarHBondContact O-N 3.31Å; I23-L205 HydrophobicContact CG2-CD1 4.16Å
24W88.5Confident80.8Confident0 Ų048.9 Ų48.90%025%0.248CC..Hα-helixtrans-58.5-44.9176.917893.4000112.8I20 G21 T26 V27 L28 V84 A88 L205 N206I20-W24 PolarHBondContact O-N 3.36Å; G21-W24 PolarHBondContact O-N 3.07Å; W24-T26 VanDerWaalsContact C-N 3.28Å; W24-T26 PolarHBondContact O-N 3.43Å; W24-V27 PolarHBondContact O-N 3.38Å; W24-L28 HydrophobicContact CE3-CD1 4.28Å; W24-L28 HydrophobicContact CH2-CD1 3.26Å; W24-L28 HydrophobicContact CZ2-CD1 3.56Å; W24-L28 HydrophobicContact CZ3-CD1 3.65Å; W24-L28 WeakPolarHBondContact O-CB 3.2Å; W24-L28 PolarHBondContact O-N 3.19Å; W24-V84 HydrophobicContact CH2-CG1 3.89Å; W24-V84 HydrophobicContact CZ2-CG1 3.34Å; W24-A88 HydrophobicContact CH2-CB 4.44Å; W24-A88 HydrophobicContact CZ3-CB 4.23Å; W24-L205 HydrophobicContact CB-CD1 4.31Å; W24-N206 PolarHBondContact NE1-ND2 2.94Å; W24-N206 VanDerWaalsContact NE1-ND2 3.18Å
25L83.8Confident81.3Confident5 Ų546.7 Ų46.73%0.02624%0.236CC..Hα-helixtrans-60-43.2177.1-80.4170.9000110.7V13 N14 G21 K22 I23 L28 F29V13-L25 HydrophobicContact CB-CD1 4.08Å; V13-L25 HydrophobicContact CG1-CD1 4.01Å; N14-L25 HydrophobicContact CB-CD1 4.18Å; G21-L25 WeakPolarHBondContact O-CB 3.26Å; G21-L25 WeakPolarHBondContact O-CG 3.42Å; G21-L25 PolarHBondContact O-N 3.44Å; K22-L25 PolarHBondContact O-N 3.33Å; I23-L25 PolarHBondContact O-N 2.9Å; L25-L28 PolarHBondContact O-N 3.04Å; L25-F29 VanDerWaalsContact O-CB 3.3Å; L25-F29 WeakPolarHBondContact O-CB 3.46Å; L25-F29 WeakPolarHBondContact O-CD2 3.31Å; L25-F29 PolarHBondContact O-N 3.02Å
26T84.6Confident82.2Confident64 Ų6440.4 Ų40.439%0.39321%0.209SC..Hα-helixtrans-61.9-44.2177.8-54.60000111.2K22 I23 W24 F29 I30K22-T26 WeakPolarHBondContact O-CB 3.35Å; K22-T26 PolarHBondContact O-N 2.87Å; K22-T26 PolarHBondContact O-OG1 2.97Å; I23-T26 WeakPolarHBondContact O-CB 3.47Å; I23-T26 PolarHBondContact O-N 3.36Å; I23-T26 VanDerWaalsContact O-N 3.16Å; W24-T26 VanDerWaalsContact C-N 3.28Å; W24-T26 PolarHBondContact O-N 3.43Å; T26-F29 PolarHBondContact O-N 3.41Å; T26-I30 HydrophobicContact CG2-CD1 3.57Å; T26-I30 HydrophobicContact CG2-CG1 4.3Å; T26-I30 WeakPolarHBondContact O-CB 3.45Å; T26-I30 WeakPolarHBondContact O-CG1 3.46Å; T26-I30 PolarHBondContact O-N 3.35Å
27V85.3Confident83.1Confident22 Ų2241.1 Ų41.113%0.13322%0.218CC..Hα-helixtrans-63.2-47177.2171.20000111.4I23 W24 F29 F31 V198 L205I23-V27 HydrophobicContact CG2-CG2 4.4Å; I23-V27 WeakPolarHBondContact O-CG2 3.27Å; I23-V27 PolarHBondContact O-N 3.31Å; W24-V27 PolarHBondContact O-N 3.38Å; V27-F29 VanDerWaalsContact C-N 3.34Å; V27-F29 PolarHBondContact O-N 3.48Å; V27-F31 HydrophobicContact CG1-CD2 4.17Å; V27-F31 WeakPolarHBondContact O-CB 3.42Å; V27-F31 PolarHBondContact O-N 3.39Å; V27-V198 HydrophobicContact CG1-CG1 4Å; V27-L205 HydrophobicContact CG2-CD1 4.46Å
28L83.9Confident83.8Confident1 Ų143.8 Ų43.81%0.00523%0.234CC..Iπ-helixtrans-59.5-48177.8-164.8174.1000110.3W24 L25 R32 I33 L81 V84W24-L28 HydrophobicContact CE3-CD1 4.28Å; W24-L28 HydrophobicContact CH2-CD1 3.26Å; W24-L28 HydrophobicContact CZ2-CD1 3.56Å; W24-L28 HydrophobicContact CZ3-CD1 3.65Å; W24-L28 WeakPolarHBondContact O-CB 3.2Å; W24-L28 PolarHBondContact O-N 3.19Å; L25-L28 PolarHBondContact O-N 3.04Å; L28-R32 VanDerWaalsContact O-CB 3.29Å; L28-R32 WeakPolarHBondContact O-CB 3.34Å; L28-R32 PolarHBondContact O-N 3.11Å; L28-R32 VanDerWaalsContact O-N 3.13Å; L28-I33 HydrophobicContact CD2-CG1 4.45Å; L28-I33 PolarHBondContact O-N 3.42Å; L28-L81 HydrophobicContact CD2-CD1 3.77Å; L28-L81 HydrophobicContact CD2-CG 3.98Å; L28-V84 HydrophobicContact CD1-CG1 4.27Å
29F76.6Confident84.1Confident35 Ų3543.2 Ų43.215%0.15423%0.23CC..Iπ-helixtrans-61.7-55.6-179.5-102.2-66.7000114Q7 L10 L25 T26 V27 I33Q7-F29 HydrophobicContact CB-CE1 3.63Å; Q7-F29 HydrophobicContact CB-CZ 4.19Å; Q7-F29 HydrophobicContact CG-CD1 4.25Å; Q7-F29 HydrophobicContact CG-CE1 3.5Å; Q7-F29 VanDerWaalsContact CG-CE1 3.5Å; Q7-F29 HydrophobicContact CG-CZ 4.04Å; Q7-F29 VanDerWaalsContact O-CZ 3.28Å; Q7-F29 WeakPolarHBondContact O-CZ 3.28Å; L10-F29 HydrophobicContact CB-CD2 4.36Å; L10-F29 HydrophobicContact CB-CE1 4.26Å; L10-F29 HydrophobicContact CB-CE2 3.21Å; L10-F29 HydrophobicContact CB-CZ 3.16Å; L10-F29 HydrophobicContact CD1-CE1 4.44Å; L10-F29 HydrophobicContact CD1-CE2 4.24Å; L10-F29 HydrophobicContact CD1-CZ 4.03Å; L10-F29 HydrophobicContact CG-CE2 4.36Å; L10-F29 HydrophobicContact CG-CZ 4.23Å; L25-F29 VanDerWaalsContact O-CB 3.3Å; L25-F29 WeakPolarHBondContact O-CB 3.46Å; L25-F29 WeakPolarHBondContact O-CD2 3.31Å; L25-F29 PolarHBondContact O-N 3.02Å; T26-F29 PolarHBondContact O-N 3.41Å; V27-F29 VanDerWaalsContact C-N 3.34Å; V27-F29 PolarHBondContact O-N 3.48Å; F29-I33 HydrophobicContact CD1-CD1 3.61Å; F29-I33 HydrophobicContact CE1-CD1 3.77Å; F29-I33 HydrophobicContact CG-CD1 4.47Å; F29-I33 WeakPolarHBondContact O-CB 3.37Å
30I80.8Confident84.2Confident88 Ų8841.1 Ų41.145%0.45122%0.218SC..Iπ-helixtrans-73.9-50.1-170.1-64.6178.2000109.1T26 M34T26-I30 HydrophobicContact CG2-CD1 3.57Å; T26-I30 HydrophobicContact CG2-CG1 4.3Å; T26-I30 WeakPolarHBondContact O-CB 3.45Å; T26-I30 WeakPolarHBondContact O-CG1 3.46Å; T26-I30 PolarHBondContact O-N 3.35Å; I30-M34 WeakPolarHBondContact O-CB 3.46Å
31F84.6Confident84.2Confident97 Ų9746.9 Ų46.943%0.42524%0.241SC..Iπ-helixtrans-84.4-46.2-170.8-64.8-72.1000112V27 I35 V198V27-F31 HydrophobicContact CG1-CD2 4.17Å; V27-F31 WeakPolarHBondContact O-CB 3.42Å; V27-F31 PolarHBondContact O-N 3.39Å; F31-I35 VanDerWaalsContact O-CB 3.24Å; F31-I35 WeakPolarHBondContact O-CB 3.25Å; F31-I35 VanDerWaalsContact O-CD1 3.27Å; F31-I35 WeakPolarHBondContact O-CD1 3.44Å; F31-I35 WeakPolarHBondContact O-CG1 3.35Å; F31-I35 PolarHBondContact O-N 3.42Å; F31-I35 VanDerWaalsContact O-N 3.09Å; F31-V198 HydrophobicContact CB-CG1 4.11Å; F31-V198 HydrophobicContact CB-CG2 3.95Å; F31-V198 HydrophobicContact CG-CG2 4.48Å
32R87.7Confident84.5Confident3 Ų352.8 Ų52.81%0.01127%0.269CS..Iπ-helixtrans-78.1-45.8-173.8-66.6-173.3165.4162-5.6114L28 I35 L36 L81 E147 M195 V198 S199L28-R32 VanDerWaalsContact O-CB 3.29Å; L28-R32 WeakPolarHBondContact O-CB 3.34Å; L28-R32 PolarHBondContact O-N 3.11Å; L28-R32 VanDerWaalsContact O-N 3.13Å; R32-I35 PolarHBondContact O-N 2.77Å; R32-L36 VanDerWaalsContact O-CB 3.28Å; R32-L36 WeakPolarHBondContact O-CB 3.37Å; R32-L36 VanDerWaalsContact O-CG 3.29Å; R32-L36 WeakPolarHBondContact O-CG 3.39Å; R32-L36 PolarHBondContact O-N 2.9Å; R32-L81 HydrophobicContact CB-CD1 3.99Å; R32-E147 IonicContact CZ-OE1 2.69Å; R32-E147 IonicContact CZ-OE2 3.14Å; R32-E147 IonicContact NH1-OE1 3.69Å; R32-E147 PolarHBondContact NH1-OE1 3.07Å; R32-E147 IonicContact NH1-OE2 2.64Å; R32-E147 IonicContact NH2-OE1 3.57Å; R32-E147 PolarHBondContact NH2-OE1 3.49Å; R32-E147 IonicContact NH2-OE2 2.83Å; R32-E147 PolarHBondContact NH2-OE2 3.35Å; R32-M195 HydrophobicContact CB-CE 4.49Å; R32-M195 HydrophobicContact CG-CE 4.29Å; R32-M195 HydrophobicContact CG-SD 4.44Å; R32-V198 HydrophobicContact CG-CG1 3.79Å; R32-S199 VanDerWaalsContact NH2-CB 3.28Å; R32-S199 PolarHBondContact NH2-OG 2.85Å
33I85.3Confident84.8Confident17 Ų1748.7 Ų48.79%0.08725%0.251CS..Iπ-helixtrans-67.2-42.9-179.1-59.9179.9000109.8W3 L6 L28 F29 L36 V37 L81W3-I33 HydrophobicContact CE3-CG2 4.33Å; L6-I33 HydrophobicContact CD2-CD1 4.4Å; L28-I33 HydrophobicContact CD2-CG1 4.45Å; L28-I33 PolarHBondContact O-N 3.42Å; F29-I33 HydrophobicContact CD1-CD1 3.61Å; F29-I33 HydrophobicContact CE1-CD1 3.77Å; F29-I33 HydrophobicContact CG-CD1 4.47Å; F29-I33 WeakPolarHBondContact O-CB 3.37Å; I33-L36 PolarHBondContact O-N 3.44Å; I33-V37 HydrophobicContact CG2-CG2 4.16Å; I33-V37 WeakPolarHBondContact O-CB 3.3Å; I33-V37 VanDerWaalsContact O-CG2 3.26Å; I33-V37 WeakPolarHBondContact O-CG2 3.38Å; I33-V37 PolarHBondContact O-N 3.16Å; I33-L81 HydrophobicContact CG1-CD1 3.6Å
34M82.3Confident85Confident105 Ų10544.6 Ų44.652%0.51723%0.229SC..Hα-helixtrans-59.8-49.1176.7-173.7-176.169.600111.5I30 L36 V37 V38I30-M34 WeakPolarHBondContact O-CB 3.46Å; M34-L36 PolarHBondContact O-N 3.04Å; M34-V37 PolarHBondContact O-N 3.44Å; M34-V38 HydrophobicContact CG-CG2 4.47Å; M34-V38 WeakPolarHBondContact O-CG2 3.3Å; M34-V38 PolarHBondContact O-N 3.1Å
35I83.4Confident85Confident16 Ų1646.8 Ų46.88%0.08225%0.252CS..Hα-helixtrans-60.9-47.1178.1-70.8168.2000110.3F31 R32 V37 V38 A39 F191 F194 M195F31-I35 VanDerWaalsContact O-CB 3.24Å; F31-I35 WeakPolarHBondContact O-CB 3.25Å; F31-I35 VanDerWaalsContact O-CD1 3.27Å; F31-I35 WeakPolarHBondContact O-CD1 3.44Å; F31-I35 WeakPolarHBondContact O-CG1 3.35Å; F31-I35 PolarHBondContact O-N 3.42Å; F31-I35 VanDerWaalsContact O-N 3.09Å; R32-I35 PolarHBondContact O-N 2.77Å; I35-V37 VanDerWaalsContact C-N 3.31Å; I35-V37 PolarHBondContact O-N 3.41Å; I35-V38 PolarHBondContact O-N 3.29Å; I35-A39 HydrophobicContact CG2-CB 4.36Å; I35-A39 WeakPolarHBondContact O-CB 3.49Å; I35-A39 PolarHBondContact O-N 2.99Å; I35-F191 HydrophobicContact CG2-CD1 3.85Å; I35-F191 HydrophobicContact CG2-CE1 4.4Å; I35-F194 HydrophobicContact CD1-CB 4.27Å; I35-M195 HydrophobicContact CB-SD 3.88Å; I35-M195 HydrophobicContact CD1-SD 4.04Å; I35-M195 HydrophobicContact CG2-CG 3.79Å; I35-M195 HydrophobicContact CG2-SD 3.56Å; I35-M195 VanDerWaalsContact CG2-SD 3.56Å
36L87.1Confident85.3Confident4 Ų450.3 Ų50.32%0.02127%0.271CS..Hα-helixtrans-56.9-43.7177.7-81.9169.1000112.2R32 I33 M34 A40 I74 W77 L81 M195R32-L36 VanDerWaalsContact O-CB 3.28Å; R32-L36 WeakPolarHBondContact O-CB 3.37Å; R32-L36 VanDerWaalsContact O-CG 3.29Å; R32-L36 WeakPolarHBondContact O-CG 3.39Å; R32-L36 PolarHBondContact O-N 2.9Å; I33-L36 PolarHBondContact O-N 3.44Å; M34-L36 PolarHBondContact O-N 3.04Å; L36-A40 WeakPolarHBondContact O-CB 3.44Å; L36-A40 PolarHBondContact O-N 3.29Å; L36-A40 VanDerWaalsContact O-N 3.07Å; L36-I74 HydrophobicContact CD2-CD1 3.64Å; L36-I74 HydrophobicContact CD2-CG1 4.18Å; L36-W77 HydrophobicContact CD2-CB 3.56Å; L36-W77 HydrophobicContact CD2-CE3 4.38Å; L36-L81 HydrophobicContact CD1-CB 4.1Å; L36-L81 HydrophobicContact CD1-CD1 3.55Å; L36-L81 HydrophobicContact CD1-CG 4.41Å; L36-M195 HydrophobicContact CG-CE 4.43Å
37V85.3Confident85.6Confident64 Ų6448.3 Ų48.339%0.38826%0.257SS..Hα-helixtrans-69.6-42.9-178.1171.40000111.8W3 I33 M34 I35W3-V37 HydrophobicContact CD2-CG2 4.5Å; W3-V37 HydrophobicContact CG-CG2 4.31Å; I33-V37 HydrophobicContact CG2-CG2 4.16Å; I33-V37 WeakPolarHBondContact O-CB 3.3Å; I33-V37 VanDerWaalsContact O-CG2 3.26Å; I33-V37 WeakPolarHBondContact O-CG2 3.38Å; I33-V37 PolarHBondContact O-N 3.16Å; M34-V37 PolarHBondContact O-N 3.44Å; I35-V37 VanDerWaalsContact C-N 3.31Å; I35-V37 PolarHBondContact O-N 3.41Å
38V85.5Confident85.9Confident75 Ų7551.9 Ų51.946%0.45527%0.273SS..Hα-helixtrans-71.3-51.1-179.8173.90000110.8M34 I35 A40 E42M34-V38 HydrophobicContact CG-CG2 4.47Å; M34-V38 WeakPolarHBondContact O-CG2 3.3Å; M34-V38 PolarHBondContact O-N 3.1Å; I35-V38 PolarHBondContact O-N 3.29Å; V38-A40 PolarHBondContact O-N 2.89Å; V38-E42 PolarHBondContact O-N 3.35Å
39A85.5Confident86.3Confident0 Ų054.9 Ų54.90%030%0.297CS..Hα-helixtrans-66.8-37.6-175.300000112.9I35 K41 V43 W44 I74 F191I35-A39 HydrophobicContact CG2-CB 4.36Å; I35-A39 WeakPolarHBondContact O-CB 3.49Å; I35-A39 PolarHBondContact O-N 2.99Å; A39-K41 VanDerWaalsContact C-N 3.26Å; A39-K41 PolarHBondContact O-N 3.46Å; A39-V43 PolarHBondContact O-N 2.94Å; A39-V43 VanDerWaalsContact O-N 3.09Å; A39-W44 HydrophobicContact CB-CE3 3.79Å; A39-W44 HydrophobicContact CB-CZ3 3.66Å; A39-W44 PolarHBondContact O-N 3.41Å; A39-W44 VanDerWaalsContact O-N 3.16Å; A39-I74 HydrophobicContact CB-CD1 4.16Å; A39-F191 HydrophobicContact CB-CD1 4.02Å; A39-F191 HydrophobicContact CB-CE1 4.17Å; A39-F191 HydrophobicContact CB-CG 4.38Å
40A82.8Confident87.1Confident37 Ų3757.1 Ų57.131%0.30631%0.311SS..Hα-helixtrans-56.6-40.1-175.500000113.1L36 V38 G45 I74L36-A40 WeakPolarHBondContact O-CB 3.44Å; L36-A40 PolarHBondContact O-N 3.29Å; L36-A40 VanDerWaalsContact O-N 3.07Å; V38-A40 PolarHBondContact O-N 2.89Å; A40-G45 PolarHBondContact O-N 3Å; A40-I74 HydrophobicContact CB-CD1 3.8Å; A40-I74 HydrophobicContact CB-CG1 3.64Å
41K82.8Confident87.8Confident165 Ų16553 Ų5372%0.71729%0.29SS*.Hα-helixtrans-89.3-49-177.5-66.3-174.3177.4-175.70111.9A39 G45A39-K41 VanDerWaalsContact C-N 3.26Å; A39-K41 PolarHBondContact O-N 3.46Å; K41-G45 WeakPolarHBondContact O-CA 3.43Å; K41-G45 PolarHBondContact O-N 3.08Å
42E88Confident88.3Confident126 Ų12652.4 Ų52.459%0.58929%0.294SS*.Hα-helixtrans-80.6-29.2-167.9-63.5-60150.200114.1V38 R184V38-E42 PolarHBondContact O-N 3.35Å; E42-R184 PolarHBondContact O-NH1 3.43Å
43V90Very high88.8Confident4 Ų452.9 Ų52.92%0.02430%0.297CS..THydrogen-bonded Turntrans-114.7-37.3-169.5-175.80000112.4A39 E187 K188 F191A39-V43 PolarHBondContact O-N 2.94Å; A39-V43 VanDerWaalsContact O-N 3.09Å; V43-E187 HydrophobicContact CG1-CB 4.4Å; V43-E187 HydrophobicContact CG1-CG 3.9Å; V43-E187 HydrophobicContact CG2-CG 3.98Å; V43-E187 VanDerWaalsContact CG2-OE1 3.28Å; V43-E187 WeakPolarHBondContact CG2-OE1 3.29Å; V43-K188 HydrophobicContact CG1-CG 3.66Å; V43-K188 WeakPolarHBondContact O-CE 3.19Å; V43-F191 HydrophobicContact CG1-CD2 4.33Å; V43-F191 HydrophobicContact CG2-CD2 3.95Å; V43-F191 HydrophobicContact CG2-CE2 3.55Å; V43-F191 HydrophobicContact CG2-CZ 4.22Å
44W91.7Very high89.3Confident8 Ų858 Ų583%0.0333%0.325CS..THydrogen-bonded Turntrans-102.5-2.9177.9-79.3-92.9000113.6A39 D46 E47 H73 I74 W77 K188 F191A39-W44 HydrophobicContact CB-CE3 3.79Å; A39-W44 HydrophobicContact CB-CZ3 3.66Å; A39-W44 PolarHBondContact O-N 3.41Å; A39-W44 VanDerWaalsContact O-N 3.16Å; W44-D46 PolarHBondContact O-N 3.15Å; W44-E47 VanDerWaalsContact CD1-OE2 3.27Å; W44-E47 WeakPolarHBondContact O-CB 3.4Å; W44-E47 VanDerWaalsContact O-CG 3.23Å; W44-E47 WeakPolarHBondContact O-CG 3.48Å; W44-E47 PolarHBondContact O-N 3.39Å; W44-H73 HydrophobicContact CZ2-CB 3.93Å; W44-H73 AromaticContact CZ2-ND1 3.81Å; W44-H73 AromaticContact NE1-CG 3.92Å; W44-I74 HydrophobicContact CB-CB 4.35Å; W44-I74 HydrophobicContact CB-CG2 4.18Å; W44-I74 HydrophobicContact CG-CB 4.25Å; W44-I74 HydrophobicContact CG-CG2 4.41Å; W44-W77 AromaticContact CH2-CH2 3.49Å; W44-W77 HydrophobicContact CH2-CH2 3.49Å; W44-W77 VanDerWaalsContact CH2-CH2 3.49Å; W44-W77 AromaticContact CH2-CZ3 3.65Å; W44-W77 HydrophobicContact CH2-CZ3 3.65Å; W44-W77 AromaticContact CZ2-CH2 3.77Å; W44-W77 HydrophobicContact CZ2-CH2 3.77Å; W44-W77 HydrophobicContact CZ2-CZ3 4.07Å; W44-W77 HydrophobicContact CZ3-CH2 4.28Å; W44-W77 AromaticContact CZ3-CZ3 3.98Å; W44-W77 HydrophobicContact CZ3-CZ3 3.98Å; W44-K188 HydrophobicContact CD2-CG 4.42Å; W44-K188 HydrophobicContact CH2-CB 4.14Å; W44-K188 HydrophobicContact CH2-CG 4.11Å; W44-K188 HydrophobicContact CZ2-CB 3.83Å; W44-K188 HydrophobicContact CZ2-CD 4.43Å; W44-K188 HydrophobicContact CZ2-CG 3.73Å; W44-F191 HydrophobicContact CH2-CB 3.6Å; W44-F191 HydrophobicContact CH2-CG 4.4Å; W44-F191 HydrophobicContact CZ3-CB 3.76Å; W44-F191 HydrophobicContact CZ3-CD2 4.29Å; W44-F191 HydrophobicContact CZ3-CG 4.09Å
45G88.7Confident89.9Confident47 Ų4754.8 Ų54.849%0.48531%0.311SS..THydrogen-bonded Turntrans-61.1-42.2-178.800000113.7A40 K41A40-G45 PolarHBondContact O-N 3Å; K41-G45 WeakPolarHBondContact O-CA 3.43Å; K41-G45 PolarHBondContact O-N 3.08Å
46D89.1Confident90.5Very high78 Ų7862.5 Ų62.542%0.41735%0.352SS..THydrogen-bonded Turntrans-102.322.7-177.6-55.2-46.5000112.3W44 Q48 A49 D50W44-D46 PolarHBondContact O-N 3.15Å; D46-Q48 VanDerWaalsContact C-N 3.33Å; D46-Q48 PolarHBondContact O-N 3.17Å; D46-A49 HydrophobicContact CB-CB 4.26Å; D46-A49 PolarHBondContact O-N 3.4Å; D46-D50 PolarHBondContact O-N 2.5Å
47E90.8Very high90.9Very high23 Ų2366.5 Ų66.511%0.10737%0.371CS..THydrogen-bonded Turntrans-58.8-40.2-172.163.6176.616800113.6W44 F51 Y65 S72W44-E47 VanDerWaalsContact CD1-OE2 3.27Å; W44-E47 WeakPolarHBondContact O-CB 3.4Å; W44-E47 VanDerWaalsContact O-CG 3.23Å; W44-E47 WeakPolarHBondContact O-CG 3.48Å; W44-E47 PolarHBondContact O-N 3.39Å; E47-F51 WeakPolarHBondContact O-CB 3.46Å; E47-Y65 HydrophobicContact CG-CE2 4.38Å; E47-Y65 WeakPolarHBondContact CG-OH 3.41Å; E47-Y65 PolarHBondContact OE1-OH 2.53Å; E47-Y65 PolarHBondContact OE2-OH 3.5Å; E47-Y65 VanDerWaalsContact OE2-OH 3.14Å; E47-S72 WeakPolarHBondContact OE1-CB 3.49Å; E47-S72 WeakPolarHBondContact OE2-CB 3.35Å
48Q91.3Very high91.4Very high97 Ų9768.3 Ų68.345%0.45338%0.384SS..THydrogen-bonded Turntrans-89.1-30.6178.1-171.6176.9-3.800111.8D46 K61 Y65D46-Q48 VanDerWaalsContact C-N 3.33Å; D46-Q48 PolarHBondContact O-N 3.17Å; Q48-K61 WeakPolarHBondContact O-CE 3.42Å; Q48-K61 PolarHBondContact O-NZ 3.31Å; Q48-Y65 HydrophobicContact CB-CD1 4.45Å; Q48-Y65 HydrophobicContact CB-CD2 4.37Å; Q48-Y65 HydrophobicContact CB-CE1 4.15Å; Q48-Y65 HydrophobicContact CB-CE2 4.05Å; Q48-Y65 HydrophobicContact CG-CD1 4.02Å; Q48-Y65 HydrophobicContact CG-CD2 4.35Å; Q48-Y65 HydrophobicContact CG-CE1 4.17Å; Q48-Y65 HydrophobicContact CG-CE2 4.49Å; Q48-Y65 HydrophobicContact CG-CG 4.13Å
49A92.6Very high91.9Very high63 Ų6366.6 Ų66.652%0.52138%0.381SS..THydrogen-bonded Turntrans-63.7-50.2178.800000110.7D46 F51 K61D46-A49 HydrophobicContact CB-CB 4.26Å; D46-A49 PolarHBondContact O-N 3.4Å; A49-F51 PolarHBondContact O-N 3.41Å; A49-K61 PolarHBondContact O-NZ 2.73Å
50D93.7Very high92.4Very high83 Ų8366.6 Ų66.644%0.44438%0.381SS..SBendtrans-91.26.5-176.4-71.7-9.9000113.8D46 V52 S183D46-D50 PolarHBondContact O-N 2.5Å; D50-V52 PolarHBondContact O-N 3.35Å; D50-S183 VanDerWaalsContact CB-CB 3.42Å
51F95.4Very high93Very high1 Ų168 Ų680%0.00438%0.38CS..  trans-75.4115.2168.7-174.7-109000109.6E47 A49 C53 K61 C64 Y65 F69 V167 C180 F181 V182E47-F51 WeakPolarHBondContact O-CB 3.46Å; A49-F51 PolarHBondContact O-N 3.41Å; F51-C53 VanDerWaalsContact CE1-SG 3.56Å; F51-K61 HydrophobicContact CD1-CG 4.1Å; F51-K61 VanDerWaalsContact O-CD 3.26Å; F51-K61 WeakPolarHBondContact O-CD 3.42Å; F51-K61 WeakPolarHBondContact O-CE 3.28Å; F51-K61 PolarHBondContact O-NZ 2.9Å; F51-C64 HydrophobicContact CE1-CB 3.96Å; F51-C64 HydrophobicContact CZ-CB 4.26Å; F51-Y65 HydrophobicContact CB-CD2 3.99Å; F51-Y65 AromaticContact CD1-CD2 3.97Å; F51-Y65 HydrophobicContact CD1-CD2 3.97Å; F51-Y65 HydrophobicContact CD1-CG 4.33Å; F51-Y65 HydrophobicContact CD2-CD2 4.34Å; F51-Y65 AromaticContact CG-CD2 3.86Å; F51-Y65 HydrophobicContact CG-CD2 3.86Å; F51-F69 HydrophobicContact CD2-CE2 4.37Å; F51-F69 HydrophobicContact CE2-CE2 4.03Å; F51-V167 HydrophobicContact CE2-CG2 4.1Å; F51-V167 HydrophobicContact CZ-CG2 4.1Å; F51-C180 HydrophobicContact CE1-CB 3.95Å; F51-C180 HydrophobicContact CE2-CB 3.83Å; F51-C180 HydrophobicContact CZ-CB 3.36Å; F51-F181 WeakPolarHBondContact CD2-O 3.41Å; F51-V182 HydrophobicContact CD2-CG2 4.4Å; F51-V182 HydrophobicContact CE2-CG2 4.14Å
52V96.3Very high93.7Very high84 Ų8464.7 Ų64.751%0.50937%0.37SS..EExtended strand (participates in β ladder)trans-119.2126.5-173.4179.60000110D50 C180 F181D50-V52 PolarHBondContact O-N 3.35Å; V52-C180 CarbonylContact O-C 3.57Å; V52-C180 VanDerWaalsContact O-CA 3.28Å; V52-C180 WeakPolarHBondContact O-CA 3.35Å; V52-F181 PolarHBondContact N-O 3.3Å; V52-F181 PolarHBondContact O-N 2.87Å
53C96.9Very high94.1Very high13 Ų1361.1 Ų61.19%0.08836%0.357CS..EExtended strand (participates in β ladder)trans-107136.8172.4-63.40000110.2F51 T55 D179 C180F51-C53 VanDerWaalsContact CE1-SG 3.56Å; C53-T55 HydrophobicContact CB-CG2 3.82Å; C53-T55 PolarHBondContact O-N 2.96Å; C53-D179 CarbonylContact C-O 3.59Å; C53-D179 WeakPolarHBondContact CA-O 3.4Å; C53-C180 HydrophobicContact CB-CB 4.07Å; C53-C180 WeakPolarHBondContact CB-SG 3.33Å; C53-C180 WeakPolarHBondContact SG-CB 3.31Å; C53-C180 CovalentContact SG-SG 2.05Å; C53-C180 PolarHBondContact SG-SG 2.92Å
54N96.5Very high94.4Very high125 Ų12561 Ų6167%0.66836%0.356SS*.SBendtrans-7675.4174.9-1749000110.3D179N54-D179 PolarHBondContact N-O 2.81Å
55T95.7Very high94.6Very high37 Ų3761.6 Ų61.623%0.22736%0.359CS..  trans-161.3146.5-178.5-174.30000110.8C53 Q57 C60C53-T55 HydrophobicContact CB-CG2 3.82Å; C53-T55 PolarHBondContact O-N 2.96Å; T55-Q57 WeakPolarHBondContact OG1-CB 3.3Å; T55-Q57 PolarHBondContact OG1-N 3.38Å; T55-Q57 VanDerWaalsContact OG1-N 3.16Å; T55-C60 HydrophobicContact CG2-CB 3.88Å
56L95.3Very high94.9Very high179 Ų17964.2 Ų64.294%0.93736%0.362SS*.  trans-95.1-1.5171.7-62.3174.2000112.1P58L56-P58 VanDerWaalsContact O-CD 3.31Å; L56-P58 WeakPolarHBondContact O-CD 3.38Å
57Q95.4Very high95.2Very high88 Ų8866.3 Ų66.341%0.41137%0.369SS..  trans-73119.3-176.1-176.662.324.700111.3T55 C60 P173 P175T55-Q57 WeakPolarHBondContact OG1-CB 3.3Å; T55-Q57 PolarHBondContact OG1-N 3.38Å; T55-Q57 VanDerWaalsContact OG1-N 3.16Å; Q57-C60 HydrophobicContact CB-CB 4.19Å; Q57-C60 HydrophobicContact CG-CB 4.36Å; Q57-C60 WeakPolarHBondContact O-CB 3.27Å; Q57-C60 PolarHBondContact O-N 3.39Å; Q57-P173 VanDerWaalsContact CG-O 3.26Å; Q57-P173 WeakPolarHBondContact CG-O 3.44Å; Q57-P175 HydrophobicContact CB-CG 4.34Å
58P95.9Very high95.3Very high102 Ų10268.1 Ų68.166%0.66238%0.375SS*.THydrogen-bonded Turntrans-59.7139.9177.7-2435.1000112.1L56 C60L56-P58 VanDerWaalsContact O-CD 3.31Å; L56-P58 WeakPolarHBondContact O-CD 3.38Å; P58-C60 PolarHBondContact O-N 3.43Å
59G95.4Very high95.4Very high39 Ų3964.2 Ų64.240%0.40236%0.356SS..THydrogen-bonded Turntrans82-20.2178.500000115.4K61 N62 V63G59-K61 PolarHBondContact O-N 3.01Å; G59-N62 PolarHBondContact O-N 2.92Å; G59-N62 VanDerWaalsContact O-N 3.09Å; G59-V63 PolarHBondContact O-N 2.83Å; G59-V63 VanDerWaalsContact O-N 3.16Å
60C96.8Very high95.5Very high0 Ų064.3 Ų64.30%035%0.352CS..Hα-helixtrans-58.7-44.5-178.6175.80000112.5T55 Q57 P58 N62 V63 C64 C174T55-C60 HydrophobicContact CG2-CB 3.88Å; Q57-C60 HydrophobicContact CB-CB 4.19Å; Q57-C60 HydrophobicContact CG-CB 4.36Å; Q57-C60 WeakPolarHBondContact O-CB 3.27Å; Q57-C60 PolarHBondContact O-N 3.39Å; P58-C60 PolarHBondContact O-N 3.43Å; C60-N62 VanDerWaalsContact C-N 3.29Å; C60-N62 PolarHBondContact O-N 3.29Å; C60-V63 PolarHBondContact O-N 3.22Å; C60-C64 WeakPolarHBondContact O-CB 3.45Å; C60-C64 PolarHBondContact O-N 3.32Å; C60-C64 PolarHBondContact O-SG 3.28Å; C60-C174 VanDerWaalsContact CA-SG 3.52Å; C60-C174 HydrophobicContact CB-CB 4.08Å; C60-C174 WeakPolarHBondContact CB-SG 3.47Å; C60-C174 WeakPolarHBondContact SG-CB 3.25Å; C60-C174 CovalentContact SG-SG 2.03Å; C60-C174 PolarHBondContact SG-SG 3.3Å
61K95.8Very high95.5Very high65 Ų6563.1 Ų63.128%0.28335%0.345SS..Hα-helixtrans-52.9-45.2174.1172.9177.5164.6156.90112.5Q48 A49 F51 G59 Y65Q48-K61 WeakPolarHBondContact O-CE 3.42Å; Q48-K61 PolarHBondContact O-NZ 3.31Å; A49-K61 PolarHBondContact O-NZ 2.73Å; F51-K61 HydrophobicContact CD1-CG 4.1Å; F51-K61 VanDerWaalsContact O-CD 3.26Å; F51-K61 WeakPolarHBondContact O-CD 3.42Å; F51-K61 WeakPolarHBondContact O-CE 3.28Å; F51-K61 PolarHBondContact O-NZ 2.9Å; G59-K61 PolarHBondContact O-N 3.01Å; K61-Y65 WeakPolarHBondContact O-CB 3.44Å; K61-Y65 PolarHBondContact O-N 2.89Å
62N96.3Very high95.4Very high96 Ų9663.2 Ų63.251%0.51335%0.346SS..Hα-helixtrans-68.5-45.1-175.2-70-0.3000111.4G59 C60 Y65 D66G59-N62 PolarHBondContact O-N 2.92Å; G59-N62 VanDerWaalsContact O-N 3.09Å; C60-N62 VanDerWaalsContact C-N 3.29Å; C60-N62 PolarHBondContact O-N 3.29Å; N62-Y65 PolarHBondContact O-N 2.92Å; N62-D66 WeakPolarHBondContact O-CB 3.46Å; N62-D66 PolarHBondContact O-N 2.92Å
63V96.9Very high95.1Very high52 Ų5259.4 Ų59.432%0.31532%0.322SS..Hα-helixtrans-70.2-38.6179.7-173.80000111.1G59 C60 Y65 D66 H67 A171 W172G59-V63 PolarHBondContact O-N 2.83Å; G59-V63 VanDerWaalsContact O-N 3.16Å; C60-V63 PolarHBondContact O-N 3.22Å; V63-Y65 VanDerWaalsContact C-N 3.34Å; V63-Y65 PolarHBondContact O-N 3.19Å; V63-D66 PolarHBondContact O-N 3.22Å; V63-H67 VanDerWaalsContact O-CB 3.26Å; V63-H67 WeakPolarHBondContact O-CB 3.39Å; V63-H67 PolarHBondContact O-N 3.36Å; V63-A171 HydrophobicContact CB-CB 4.5Å; V63-A171 HydrophobicContact CG1-CB 3.65Å; V63-W172 WeakPolarHBondContact CG1-O 3.48Å
64C96.6Very high94.9Very high0 Ų059.8 Ų59.80%032%0.323CS..Hα-helixtrans-64-40.7175.3-67.80000112.3F51 C60 H67 Y68 C169 C174F51-C64 HydrophobicContact CE1-CB 3.96Å; F51-C64 HydrophobicContact CZ-CB 4.26Å; C60-C64 WeakPolarHBondContact O-CB 3.45Å; C60-C64 PolarHBondContact O-N 3.32Å; C60-C64 PolarHBondContact O-SG 3.28Å; C64-H67 PolarHBondContact O-N 2.94Å; C64-Y68 WeakPolarHBondContact O-CD2 3.49Å; C64-Y68 PolarHBondContact O-N 3.43Å; C64-C169 WeakPolarHBondContact CA-SG 3.45Å; C64-C169 HydrophobicContact CB-CB 3.71Å; C64-C169 WeakPolarHBondContact CB-SG 3.33Å; C64-C169 WeakPolarHBondContact SG-CB 3.39Å; C64-C169 CovalentContact SG-SG 2.02Å; C64-C169 PolarHBondContact SG-SG 2.97Å; C64-C174 PolarHBondContact SG-SG 3.46Å
65Y95.4Very high94.7Very high21 Ų2161.6 Ų61.68%0.08232%0.321CS..Hα-helixtrans-61.4-49.3175.1179.7-93000111.1E47 Q48 F51 K61 N62 V63 H67 Y68 F69E47-Y65 HydrophobicContact CG-CE2 4.38Å; E47-Y65 WeakPolarHBondContact CG-OH 3.41Å; E47-Y65 PolarHBondContact OE1-OH 2.53Å; E47-Y65 PolarHBondContact OE2-OH 3.5Å; E47-Y65 VanDerWaalsContact OE2-OH 3.14Å; Q48-Y65 HydrophobicContact CB-CD1 4.45Å; Q48-Y65 HydrophobicContact CB-CD2 4.37Å; Q48-Y65 HydrophobicContact CB-CE1 4.15Å; Q48-Y65 HydrophobicContact CB-CE2 4.05Å; Q48-Y65 HydrophobicContact CG-CD1 4.02Å; Q48-Y65 HydrophobicContact CG-CD2 4.35Å; Q48-Y65 HydrophobicContact CG-CE1 4.17Å; Q48-Y65 HydrophobicContact CG-CE2 4.49Å; Q48-Y65 HydrophobicContact CG-CG 4.13Å; F51-Y65 HydrophobicContact CB-CD2 3.99Å; F51-Y65 AromaticContact CD1-CD2 3.97Å; F51-Y65 HydrophobicContact CD1-CD2 3.97Å; F51-Y65 HydrophobicContact CD1-CG 4.33Å; F51-Y65 HydrophobicContact CD2-CD2 4.34Å; F51-Y65 AromaticContact CG-CD2 3.86Å; F51-Y65 HydrophobicContact CG-CD2 3.86Å; K61-Y65 WeakPolarHBondContact O-CB 3.44Å; K61-Y65 PolarHBondContact O-N 2.89Å; N62-Y65 PolarHBondContact O-N 2.92Å; V63-Y65 VanDerWaalsContact C-N 3.34Å; V63-Y65 PolarHBondContact O-N 3.19Å; Y65-H67 VanDerWaalsContact C-N 3.33Å; Y65-H67 PolarHBondContact O-N 3.43Å; Y65-Y68 PolarHBondContact O-N 3.12Å; Y65-F69 AromaticContact CD2-CD2 3.84Å; Y65-F69 HydrophobicContact CD2-CD2 3.84Å; Y65-F69 HydrophobicContact CE1-CB 4.39Å; Y65-F69 HydrophobicContact CE2-CB 4.25Å; Y65-F69 AromaticContact CE2-CD2 3.83Å; Y65-F69 HydrophobicContact CE2-CD2 3.83Å; Y65-F69 HydrophobicContact CE2-CG 4.27Å; Y65-F69 WeakPolarHBondContact O-CA 3.32Å; Y65-F69 WeakPolarHBondContact O-CB 3.5Å; Y65-F69 PolarHBondContact O-N 3.43Å
66D95.6Very high94.6Very high103 Ų10360.1 Ų60.155%0.55131%0.312SS*.Hα-helixtrans-61.7-39.4179.2-173.370.6000112.6N62 V63 F69 P70N62-D66 WeakPolarHBondContact O-CB 3.46Å; N62-D66 PolarHBondContact O-N 2.92Å; V63-D66 PolarHBondContact O-N 3.22Å; D66-F69 CarbonylContact O-C 3.54Å; D66-P70 VanDerWaalsContact O-CA 3.24Å; D66-P70 WeakPolarHBondContact O-CA 3.45Å; D66-P70 VanDerWaalsContact O-N 3.11Å
67H94.3Very high94.5Very high122 Ų12251.8 Ų51.857%0.56527%0.268SS*.Hα-helixtrans-65.8-42.7179.9-174.367.5000113.1V63 C64 Y65V63-H67 VanDerWaalsContact O-CB 3.26Å; V63-H67 WeakPolarHBondContact O-CB 3.39Å; V63-H67 PolarHBondContact O-N 3.36Å; C64-H67 PolarHBondContact O-N 2.94Å; Y65-H67 VanDerWaalsContact C-N 3.33Å; Y65-H67 PolarHBondContact O-N 3.43Å
68Y93.5Very high94.3Very high60 Ų6048.6 Ų48.624%0.23526%0.256CS..Hα-helixtrans-87.2-25.4-179.3-80-78.9000113.6C64 Y65 P70 V167 K168 C169C64-Y68 WeakPolarHBondContact O-CD2 3.49Å; C64-Y68 PolarHBondContact O-N 3.43Å; Y65-Y68 PolarHBondContact O-N 3.12Å; Y68-P70 VanDerWaalsContact C-CD 3.44Å; Y68-V167 HydrophobicContact CD1-CB 3.92Å; Y68-V167 HydrophobicContact CD1-CG1 3.87Å; Y68-V167 HydrophobicContact CD1-CG2 4.36Å; Y68-V167 HydrophobicContact CD2-CB 4.06Å; Y68-V167 HydrophobicContact CD2-CG2 3.74Å; Y68-V167 HydrophobicContact CE1-CB 3.72Å; Y68-V167 HydrophobicContact CE1-CG1 3.99Å; Y68-V167 HydrophobicContact CE1-CG2 4.46Å; Y68-V167 HydrophobicContact CE2-CB 3.85Å; Y68-V167 HydrophobicContact CE2-CG2 3.85Å; Y68-V167 HydrophobicContact CG-CB 4.09Å; Y68-V167 HydrophobicContact CG-CG1 4.26Å; Y68-V167 HydrophobicContact CG-CG2 4.01Å; Y68-K168 VanDerWaalsContact OH-C 3.25Å; Y68-K168 PolarHBondContact OH-N 2.85Å; Y68-K168 PolarHBondContact OH-O 2.88Å; Y68-C169 HydrophobicContact CE2-CB 3.88Å
69F93.5Very high94.2Very high15 Ų1547.2 Ų47.27%0.06624%0.243CC..  trans-128.861-179.8-53.9-73.8000111.5F51 Y65 D66 I71 M163 V182F51-F69 HydrophobicContact CD2-CE2 4.37Å; F51-F69 HydrophobicContact CE2-CE2 4.03Å; Y65-F69 AromaticContact CD2-CD2 3.84Å; Y65-F69 HydrophobicContact CD2-CD2 3.84Å; Y65-F69 HydrophobicContact CE1-CB 4.39Å; Y65-F69 HydrophobicContact CE2-CB 4.25Å; Y65-F69 AromaticContact CE2-CD2 3.83Å; Y65-F69 HydrophobicContact CE2-CD2 3.83Å; Y65-F69 HydrophobicContact CE2-CG 4.27Å; Y65-F69 WeakPolarHBondContact O-CA 3.32Å; Y65-F69 WeakPolarHBondContact O-CB 3.5Å; Y65-F69 PolarHBondContact O-N 3.43Å; D66-F69 CarbonylContact O-C 3.54Å; F69-I71 PolarHBondContact O-N 3.41Å; F69-I71 VanDerWaalsContact O-N 3.16Å; F69-M163 HydrophobicContact CE1-CE 3.27Å; F69-M163 HydrophobicContact CE1-SD 3.66Å; F69-M163 HydrophobicContact CZ-CE 3.28Å; F69-M163 HydrophobicContact CZ-SD 4.14Å; F69-V182 HydrophobicContact CE2-CG2 4.08Å; F69-V182 HydrophobicContact CZ-CG1 4.06Å; F69-V182 HydrophobicContact CZ-CG2 3.76Å
70P93.7Very high94.1Very high66 Ų6645.7 Ų45.743%0.42923%0.225SC..SBendtrans-59.7-33.3-177.424.9-35.2000111.8D66 Y68 M157D66-P70 VanDerWaalsContact O-CA 3.24Å; D66-P70 WeakPolarHBondContact O-CA 3.45Å; D66-P70 VanDerWaalsContact O-N 3.11Å; Y68-P70 VanDerWaalsContact C-CD 3.44Å; P70-M157 HydrophobicContact CG-CG 4.23Å; P70-M157 HydrophobicContact CG-SD 4.03Å
71I94.1Very high93.9Very high57 Ų5745.8 Ų45.829%0.29223%0.226SC..SBendtrans-127.6131167-56.7175.7000105.8F69 R75 L76 M157 Y158F69-I71 PolarHBondContact O-N 3.41Å; F69-I71 VanDerWaalsContact O-N 3.16Å; I71-R75 HydrophobicContact CG2-CB 3.84Å; I71-L76 HydrophobicContact CG2-CB 4.18Å; I71-M157 HydrophobicContact CB-SD 4.44Å; I71-Y158 PolarHBondContact O-OH 3.43Å
72S92.6Very high93.7Very high3 Ų346.3 Ų46.32%0.02123%0.231CC..  trans-63.7145.4171.863.60000110.4E47 I74 R75 L76E47-S72 WeakPolarHBondContact OE1-CB 3.49Å; E47-S72 WeakPolarHBondContact OE2-CB 3.35Å; S72-I74 PolarHBondContact O-N 2.85Å; S72-I74 VanDerWaalsContact O-N 3.12Å; S72-R75 PolarHBondContact O-N 2.91Å; S72-R75 VanDerWaalsContact OG-CB 3.29Å; S72-R75 WeakPolarHBondContact OG-CB 3.38Å; S72-R75 WeakPolarHBondContact OG-CD 3.3Å; S72-R75 WeakPolarHBondContact OG-CG 3.47Å; S72-R75 PolarHBondContact OG-N 3.37Å; S72-R75 PolarHBondContact OG-NE 3.13Å; S72-L76 PolarHBondContact O-N 2.96Å; S72-L76 VanDerWaalsContact O-N 3.15Å
73H91.9Very high93.6Very high5 Ų546.1 Ų46.12%0.02323%0.226CC..Hα-helixtrans-52.9-41.4-179.9-64.4-169.6000111.8W44 R75 L76 W77 F154 Y158 T192W44-H73 HydrophobicContact CZ2-CB 3.93Å; W44-H73 AromaticContact CZ2-ND1 3.81Å; W44-H73 AromaticContact NE1-CG 3.92Å; H73-R75 VanDerWaalsContact C-N 3.34Å; H73-R75 PolarHBondContact O-N 3.32Å; H73-L76 PolarHBondContact O-N 3.37Å; H73-L76 VanDerWaalsContact O-N 3.16Å; H73-W77 HydrophobicContact CB-CH2 4.32Å; H73-W77 HydrophobicContact CB-CZ2 4.11Å; H73-W77 PolarHBondContact O-N 3.4Å; H73-F154 HydrophobicContact CB-CE2 4.1Å; H73-F154 AromaticContact CE1-CZ 3.88Å; H73-F154 AromaticContact CG-CE2 3.91Å; H73-F154 AromaticContact CG-CZ 3.95Å; H73-F154 AromaticContact ND1-CZ 3.64Å; H73-Y158 AromaticContact CD2-CD1 3.69Å; H73-Y158 AromaticContact CD2-CD2 3.89Å; H73-Y158 AromaticContact CD2-CE1 3.31Å; H73-Y158 WeakPolarHBondContact CD2-CE1 3.48Å; H73-Y158 AromaticContact CD2-CE2 3.53Å; H73-Y158 AromaticContact CD2-CG 3.96Å; H73-Y158 AromaticContact CD2-CZ 3.21Å; H73-Y158 AromaticContact NE2-CD1 3.29Å; H73-Y158 VanDerWaalsContact NE2-CD1 3.29Å; H73-Y158 WeakPolarHBondContact NE2-CD1 3.1Å; H73-Y158 AromaticContact NE2-CD2 3.76Å; H73-Y158 AromaticContact NE2-CE1 3.45Å; H73-Y158 WeakPolarHBondContact NE2-CE1 3.37Å; H73-Y158 AromaticContact NE2-CE2 3.9Å; H73-Y158 AromaticContact NE2-CG 3.45Å; H73-Y158 AromaticContact NE2-CZ 3.75Å; H73-T192 PolarHBondContact ND1-OG1 3.45Å
74I90.9Very high93.4Very high21 Ų2143.7 Ų43.711%0.10821%0.211CC..Hα-helixtrans-63-39-178.1-162.977.1000112.6L36 A39 A40 W44 S72 W77 A78L36-I74 HydrophobicContact CD2-CD1 3.64Å; L36-I74 HydrophobicContact CD2-CG1 4.18Å; A39-I74 HydrophobicContact CB-CD1 4.16Å; A40-I74 HydrophobicContact CB-CD1 3.8Å; A40-I74 HydrophobicContact CB-CG1 3.64Å; W44-I74 HydrophobicContact CB-CB 4.35Å; W44-I74 HydrophobicContact CB-CG2 4.18Å; W44-I74 HydrophobicContact CG-CB 4.25Å; W44-I74 HydrophobicContact CG-CG2 4.41Å; S72-I74 PolarHBondContact O-N 2.85Å; S72-I74 VanDerWaalsContact O-N 3.12Å; I74-W77 HydrophobicContact CD1-CE3 4.14Å; I74-W77 PolarHBondContact O-N 3.5Å; I74-A78 WeakPolarHBondContact O-CB 3.4Å; I74-A78 PolarHBondContact O-N 2.84Å
75R92.7Very high93.1Very high162 Ų16243.8 Ų43.861%0.61121%0.212SC*.Hα-helixtrans-67.6-40.4175.2-71172.5-161.1-178.64.7110.8I71 S72 H73 A78 L79I71-R75 HydrophobicContact CG2-CB 3.84Å; S72-R75 PolarHBondContact O-N 2.91Å; S72-R75 VanDerWaalsContact OG-CB 3.29Å; S72-R75 WeakPolarHBondContact OG-CB 3.38Å; S72-R75 WeakPolarHBondContact OG-CD 3.3Å; S72-R75 WeakPolarHBondContact OG-CG 3.47Å; S72-R75 PolarHBondContact OG-N 3.37Å; S72-R75 PolarHBondContact OG-NE 3.13Å; H73-R75 VanDerWaalsContact C-N 3.34Å; H73-R75 PolarHBondContact O-N 3.32Å; R75-A78 PolarHBondContact O-N 2.92Å; R75-L79 WeakPolarHBondContact O-CG 3.24Å; R75-L79 PolarHBondContact O-N 3.19Å
76L93.2Very high92.9Very high7 Ų745.6 Ų45.64%0.03723%0.225CC..Hα-helixtrans-65.1-41.5177.4-168.463.8000111.5I71 S72 H73 L79 Q80 F150 V153 F154 Y158I71-L76 HydrophobicContact CG2-CB 4.18Å; S72-L76 PolarHBondContact O-N 2.96Å; S72-L76 VanDerWaalsContact O-N 3.15Å; H73-L76 PolarHBondContact O-N 3.37Å; H73-L76 VanDerWaalsContact O-N 3.16Å; L76-L79 PolarHBondContact O-N 3.35Å; L76-Q80 WeakPolarHBondContact O-CB 3.42Å; L76-Q80 PolarHBondContact O-N 3Å; L76-F150 HydrophobicContact CD1-CD1 3.84Å; L76-F150 HydrophobicContact CD1-CE1 3.89Å; L76-F150 HydrophobicContact CG-CD1 4.25Å; L76-V153 HydrophobicContact CD1-CG1 4.45Å; L76-V153 HydrophobicContact CD2-CG1 4.35Å; L76-F154 HydrophobicContact CD2-CB 4.18Å; L76-F154 HydrophobicContact CD2-CD2 3.85Å; L76-F154 HydrophobicContact CD2-CG 4.45Å; L76-Y158 HydrophobicContact CD2-CE2 3.81Å
77W93.1Very high92.7Very high4 Ų441.2 Ų41.22%0.01520%0.202CC..Hα-helixtrans-66.8-35.9173.9-65.2-20.6000113.2L36 W44 H73 I74 Q80 L81 F154 F191 T192 M195L36-W77 HydrophobicContact CD2-CB 3.56Å; L36-W77 HydrophobicContact CD2-CE3 4.38Å; W44-W77 AromaticContact CH2-CH2 3.49Å; W44-W77 HydrophobicContact CH2-CH2 3.49Å; W44-W77 VanDerWaalsContact CH2-CH2 3.49Å; W44-W77 AromaticContact CH2-CZ3 3.65Å; W44-W77 HydrophobicContact CH2-CZ3 3.65Å; W44-W77 AromaticContact CZ2-CH2 3.77Å; W44-W77 HydrophobicContact CZ2-CH2 3.77Å; W44-W77 HydrophobicContact CZ2-CZ3 4.07Å; W44-W77 HydrophobicContact CZ3-CH2 4.28Å; W44-W77 AromaticContact CZ3-CZ3 3.98Å; W44-W77 HydrophobicContact CZ3-CZ3 3.98Å; H73-W77 HydrophobicContact CB-CH2 4.32Å; H73-W77 HydrophobicContact CB-CZ2 4.11Å; H73-W77 PolarHBondContact O-N 3.4Å; I74-W77 HydrophobicContact CD1-CE3 4.14Å; I74-W77 PolarHBondContact O-N 3.5Å; W77-Q80 PolarHBondContact O-N 2.72Å; W77-L81 WeakPolarHBondContact O-CB 3.45Å; W77-L81 PolarHBondContact O-N 3.4Å; W77-F154 AromaticContact CE2-CE2 3.77Å; W77-F154 AromaticContact CZ2-CE2 3.93Å; W77-F154 HydrophobicContact CZ2-CE2 3.93Å; W77-F154 HydrophobicContact CZ2-CZ 4.11Å; W77-F154 AromaticContact NE1-CD2 3.54Å; W77-F154 AromaticContact NE1-CE2 3.21Å; W77-F191 HydrophobicContact CH2-CB 4.37Å; W77-T192 HydrophobicContact CZ2-CG2 4.22Å; W77-T192 WeakPolarHBondContact CZ2-OG1 3.38Å; W77-M195 HydrophobicContact CB-CE 3.86Å; W77-M195 HydrophobicContact CD2-CB 4.23Å; W77-M195 HydrophobicContact CD2-CE 3.9Å; W77-M195 HydrophobicContact CD2-CG 3.92Å; W77-M195 HydrophobicContact CE3-CE 4.15Å; W77-M195 HydrophobicContact CE3-CG 3.83Å; W77-M195 HydrophobicContact CG-CE 3.77Å; W77-M195 HydrophobicContact CH2-CB 4.32Å; W77-M195 HydrophobicContact CH2-CG 3.97Å; W77-M195 HydrophobicContact CZ2-CB 3.95Å; W77-M195 HydrophobicContact CZ2-CG 4.06Å; W77-M195 HydrophobicContact CZ3-CG 3.86Å
78A92Very high92.4Very high21 Ų2135.6 Ų35.617%0.17418%0.177CC..Hα-helixtrans-63.8-44.1173.600000111.1I74 R75 L81 I82I74-A78 WeakPolarHBondContact O-CB 3.4Å; I74-A78 PolarHBondContact O-N 2.84Å; R75-A78 PolarHBondContact O-N 2.92Å; A78-L81 PolarHBondContact O-N 3.44Å; A78-I82 VanDerWaalsContact O-CG1 3.3Å; A78-I82 WeakPolarHBondContact O-CG1 3.36Å; A78-I82 PolarHBondContact O-N 2.86Å
79L93.6Very high92.1Very high72 Ų7235 Ų3538%0.37718%0.177SC..Hα-helixtrans-60.9-47.6173.2-72.1170.8000111.2R75 L76 L81 I82 F83 F150R75-L79 WeakPolarHBondContact O-CG 3.24Å; R75-L79 PolarHBondContact O-N 3.19Å; L76-L79 PolarHBondContact O-N 3.35Å; L79-L81 VanDerWaalsContact C-N 3.28Å; L79-L81 PolarHBondContact O-N 2.89Å; L79-I82 PolarHBondContact O-N 3.43Å; L79-I82 VanDerWaalsContact O-N 3.1Å; L79-F83 VanDerWaalsContact O-CD2 3.32Å; L79-F83 WeakPolarHBondContact O-CD2 3.41Å; L79-F83 PolarHBondContact O-N 3.43Å; L79-F150 HydrophobicContact CB-CE1 3.78Å; L79-F150 HydrophobicContact CB-CZ 3.99Å
80Q94.5Very high92Very high8 Ų839.3 Ų39.34%0.03720%0.201CC..Hα-helixtrans-53.2-47.3175.2-177.6-178.22.700111.1L76 W77 I82 F83 V84 E147 F150 S199L76-Q80 WeakPolarHBondContact O-CB 3.42Å; L76-Q80 PolarHBondContact O-N 3Å; W77-Q80 PolarHBondContact O-N 2.72Å; Q80-I82 PolarHBondContact O-N 3.4Å; Q80-F83 PolarHBondContact O-N 3Å; Q80-V84 HydrophobicContact CG-CG2 4.24Å; Q80-V84 WeakPolarHBondContact O-CB 3.24Å; Q80-V84 WeakPolarHBondContact O-CG2 3.3Å; Q80-V84 PolarHBondContact O-N 3.47Å; Q80-E147 PolarHBondContact NE2-OE2 3.28Å; Q80-F150 HydrophobicContact CB-CB 3.95Å; Q80-F150 HydrophobicContact CB-CD1 3.82Å; Q80-F150 HydrophobicContact CB-CD2 4.06Å; Q80-F150 HydrophobicContact CB-CE1 4.34Å; Q80-F150 HydrophobicContact CB-CG 3.67Å; Q80-F150 HydrophobicContact CG-CB 3.67Å; Q80-F150 HydrophobicContact CG-CD1 4.47Å; Q80-F150 HydrophobicContact CG-CD2 4.12Å; Q80-F150 HydrophobicContact CG-CG 3.85Å; Q80-S199 PolarHBondContact NE2-OG 3.15Å
81L91.4Very high91.7Very high1 Ų136.7 Ų36.71%0.00518%0.183CC..Hα-helixtrans-61.4-42.3178.7-172.4144.9000112.4W3 L6 L28 R32 I33 L36 W77 A78 L79 S85W3-L81 HydrophobicContact CZ3-CD2 4.41Å; L6-L81 HydrophobicContact CD2-CD2 3.87Å; L28-L81 HydrophobicContact CD2-CD1 3.77Å; L28-L81 HydrophobicContact CD2-CG 3.98Å; R32-L81 HydrophobicContact CB-CD1 3.99Å; I33-L81 HydrophobicContact CG1-CD1 3.6Å; L36-L81 HydrophobicContact CD1-CB 4.1Å; L36-L81 HydrophobicContact CD1-CD1 3.55Å; L36-L81 HydrophobicContact CD1-CG 4.41Å; W77-L81 WeakPolarHBondContact O-CB 3.45Å; W77-L81 PolarHBondContact O-N 3.4Å; A78-L81 PolarHBondContact O-N 3.44Å; L79-L81 VanDerWaalsContact C-N 3.28Å; L79-L81 PolarHBondContact O-N 2.89Å; L81-S85 WeakPolarHBondContact O-CB 3.5Å; L81-S85 PolarHBondContact O-N 3.24Å; L81-S85 PolarHBondContact O-OG 2.88Å
82I91.1Very high91.2Very high77 Ų7734.5 Ų34.540%0.39517%0.174SC..Hα-helixtrans-63-51.9178.3-69163.9000110.6A78 L79 Q80 V84 S85 T86A78-I82 VanDerWaalsContact O-CG1 3.3Å; A78-I82 WeakPolarHBondContact O-CG1 3.36Å; A78-I82 PolarHBondContact O-N 2.86Å; L79-I82 PolarHBondContact O-N 3.43Å; L79-I82 VanDerWaalsContact O-N 3.1Å; Q80-I82 PolarHBondContact O-N 3.4Å; I82-V84 PolarHBondContact O-N 2.9Å; I82-S85 PolarHBondContact O-N 2.88Å; I82-T86 WeakPolarHBondContact O-CB 3.44Å; I82-T86 PolarHBondContact O-N 3.42Å; I82-T86 PolarHBondContact O-OG1 3.34Å
83F94.5Very high91Very high92 Ų9240.8 Ų40.840%0.40421%0.205SC..Hα-helixtrans-63.3-41.8-179-85.8-98.8000111.8L79 Q80 S85 T86 P87 F146 F150L79-F83 VanDerWaalsContact O-CD2 3.32Å; L79-F83 WeakPolarHBondContact O-CD2 3.41Å; L79-F83 PolarHBondContact O-N 3.43Å; Q80-F83 PolarHBondContact O-N 3Å; F83-S85 PolarHBondContact O-N 3.21Å; F83-T86 PolarHBondContact O-N 3.32Å; F83-P87 WeakPolarHBondContact O-CD 3.28Å; F83-F146 HydrophobicContact CB-CB 4.38Å; F83-F146 HydrophobicContact CB-CD2 4.25Å; F83-F146 HydrophobicContact CB-CG 4.18Å; F83-F146 HydrophobicContact CD1-CD1 4.17Å; F83-F146 HydrophobicContact CD1-CE1 4.01Å; F83-F146 HydrophobicContact CD1-CE2 4.48Å; F83-F146 HydrophobicContact CD1-CZ 4.18Å; F83-F146 WeakPolarHBondContact O-CD2 2.9Å; F83-F150 HydrophobicContact CB-CE2 3.66Å; F83-F150 HydrophobicContact CB-CZ 4.3Å; F83-F150 HydrophobicContact CD1-CE2 4.42Å; F83-F150 AromaticContact CD2-CE2 3.98Å; F83-F150 HydrophobicContact CD2-CE2 3.98Å; F83-F150 AromaticContact CD2-CZ 3.77Å; F83-F150 HydrophobicContact CD2-CZ 3.77Å; F83-F150 HydrophobicContact CE2-CZ 4.28Å; F83-F150 AromaticContact CG-CE2 3.77Å; F83-F150 HydrophobicContact CG-CE2 3.77Å; F83-F150 HydrophobicContact CG-CZ 4.05Å
84V93.1Very high90.8Very high0 Ų042.6 Ų42.60%021%0.213CC..Hα-helixtrans-69.9-32.4178.8170.70000112.2W24 L28 Q80 I82 F146 E147W24-V84 HydrophobicContact CH2-CG1 3.89Å; W24-V84 HydrophobicContact CZ2-CG1 3.34Å; L28-V84 HydrophobicContact CD1-CG1 4.27Å; Q80-V84 HydrophobicContact CG-CG2 4.24Å; Q80-V84 WeakPolarHBondContact O-CB 3.24Å; Q80-V84 WeakPolarHBondContact O-CG2 3.3Å; Q80-V84 PolarHBondContact O-N 3.47Å; I82-V84 PolarHBondContact O-N 2.9Å; V84-F146 HydrophobicContact CG2-CB 4.05Å; V84-E147 HydrophobicContact CG1-CG 4.31Å; V84-E147 HydrophobicContact CG2-CG 3.77Å
85S90Very high90.4Very high3 Ų342 Ų422%0.02121%0.21CC..Hα-helixtrans-75.2-29.3175.9-61.40000112.8L81 I82 F83 A88 L89L81-S85 WeakPolarHBondContact O-CB 3.5Å; L81-S85 PolarHBondContact O-N 3.24Å; L81-S85 PolarHBondContact O-OG 2.88Å; I82-S85 PolarHBondContact O-N 2.88Å; F83-S85 PolarHBondContact O-N 3.21Å; S85-A88 WeakPolarHBondContact O-CB 3.29Å; S85-A88 PolarHBondContact O-N 2.89Å; S85-A88 VanDerWaalsContact O-N 3.12Å; S85-L89 WeakPolarHBondContact O-CG 3.27Å; S85-L89 PolarHBondContact O-N 3.42Å
86T91.6Very high90Very high59 Ų5936.3 Ų36.336%0.36220%0.198SC..Hα-helixtrans-59.4-49.3-172.1-66.10000113.1I82 F83 A88 L89 L90I82-T86 WeakPolarHBondContact O-CB 3.44Å; I82-T86 PolarHBondContact O-N 3.42Å; I82-T86 PolarHBondContact O-OG1 3.34Å; F83-T86 PolarHBondContact O-N 3.32Å; T86-A88 VanDerWaalsContact C-N 3.28Å; T86-A88 PolarHBondContact O-N 3.18Å; T86-L89 PolarHBondContact O-N 2.92Å; T86-L90 HydrophobicContact CG2-CD1 4.12Å; T86-L90 HydrophobicContact CG2-CG 4.38Å; T86-L90 WeakPolarHBondContact O-CG 3.33Å; T86-L90 PolarHBondContact O-N 2.85Å
87P92.3Very high89.7Confident10 Ų1043.1 Ų43.17%0.06522%0.224CC..Hα-helixtrans-60.2-33.6175.1-25.633.8000114.2F83 V91 S139 F142 R143 F146F83-P87 WeakPolarHBondContact O-CD 3.28Å; P87-V91 WeakPolarHBondContact O-CG2 3.34Å; P87-V91 PolarHBondContact O-N 3.47Å; P87-V91 VanDerWaalsContact O-N 3.11Å; P87-S139 WeakPolarHBondContact CB-OG 3.16Å; P87-S139 PolarHBondContact O-OG 2.98Å; P87-F142 HydrophobicContact CG-CB 4.05Å; P87-R143 HydrophobicContact CB-CG 3.97Å; P87-R143 HydrophobicContact CG-CG 4.06Å; P87-F146 HydrophobicContact CG-CD2 4.14Å; P87-F146 HydrophobicContact CG-CE2 3.88Å
88A87.3Confident89.2Confident4 Ų447 Ų473%0.03324%0.239CC..Hα-helixtrans-69.8-41.1177.500000111.1W24 S85 T86 V91 A92W24-A88 HydrophobicContact CH2-CB 4.44Å; W24-A88 HydrophobicContact CZ3-CB 4.23Å; S85-A88 WeakPolarHBondContact O-CB 3.29Å; S85-A88 PolarHBondContact O-N 2.89Å; S85-A88 VanDerWaalsContact O-N 3.12Å; T86-A88 VanDerWaalsContact C-N 3.28Å; T86-A88 PolarHBondContact O-N 3.18Å; A88-V91 PolarHBondContact O-N 2.76Å; A88-A92 PolarHBondContact O-N 3.21Å
89L88.1Confident88.6Confident48 Ų4848.3 Ų48.325%0.25124%0.239SC..Hα-helixtrans-64.3-42.6174.5-68.2177.9000112.1I9 L10 V13 S85 T86 V91 A92 M93I9-L89 HydrophobicContact CB-CD2 4.5Å; I9-L89 HydrophobicContact CG2-CD2 3.37Å; L10-L89 HydrophobicContact CD2-CD2 3.65Å; L10-L89 HydrophobicContact CD2-CG 3.96Å; L10-L89 HydrophobicContact CG-CD2 4.23Å; V13-L89 HydrophobicContact CG2-CD2 4.07Å; S85-L89 WeakPolarHBondContact O-CG 3.27Å; S85-L89 PolarHBondContact O-N 3.42Å; T86-L89 PolarHBondContact O-N 2.92Å; L89-V91 VanDerWaalsContact C-N 3.35Å; L89-V91 PolarHBondContact O-N 3.07Å; L89-A92 PolarHBondContact O-N 3.18Å; L89-M93 WeakPolarHBondContact O-CB 3.47Å; L89-M93 PolarHBondContact O-N 2.81Å
90L91.2Very high88.1Confident106 Ų10650.7 Ų50.756%0.55525%0.248SC*.Hα-helixtrans-62.3-41.1176.7-71.5175.9000112T86 M93 H94T86-L90 HydrophobicContact CG2-CD1 4.12Å; T86-L90 HydrophobicContact CG2-CG 4.38Å; T86-L90 WeakPolarHBondContact O-CG 3.33Å; T86-L90 PolarHBondContact O-N 2.85Å; L90-M93 PolarHBondContact O-N 3.38Å; L90-H94 WeakPolarHBondContact O-CB 3.08Å; L90-H94 PolarHBondContact O-N 3.45Å
91V87.3Confident87.7Confident11 Ų1153.4 Ų53.47%0.06726%0.261CS..Hα-helixtrans-63.1-46.4173.61670000111P87 A88 L89 M93 H94 V95 Y136 S139P87-V91 WeakPolarHBondContact O-CG2 3.34Å; P87-V91 PolarHBondContact O-N 3.47Å; P87-V91 VanDerWaalsContact O-N 3.11Å; A88-V91 PolarHBondContact O-N 2.76Å; L89-V91 VanDerWaalsContact C-N 3.35Å; L89-V91 PolarHBondContact O-N 3.07Å; V91-M93 VanDerWaalsContact C-N 3.32Å; V91-M93 PolarHBondContact O-N 3.35Å; V91-H94 WeakPolarHBondContact O-CB 3.29Å; V91-H94 PolarHBondContact O-N 3.5Å; V91-V95 HydrophobicContact CG1-CG2 4.46Å; V91-V95 WeakPolarHBondContact O-CG2 3.2Å; V91-V95 PolarHBondContact O-N 3.28Å; V91-Y136 HydrophobicContact CG1-CD2 3.8Å; V91-Y136 HydrophobicContact CG1-CE2 4.37Å; V91-S139 WeakPolarHBondContact CG2-OG 3.48Å
92A83.9Confident87.2Confident11 Ų1158.8 Ų58.89%0.09128%0.284CS..Hα-helixtrans-61.9-41.4178.500000112.2V13 Y16 A88 L89 V95 A96V13-A92 HydrophobicContact CB-CB 4.15Å; V13-A92 HydrophobicContact CG1-CB 3.99Å; V13-A92 HydrophobicContact CG2-CB 3.6Å; Y16-A92 HydrophobicContact CD2-CB 4.36Å; A88-A92 PolarHBondContact O-N 3.21Å; L89-A92 PolarHBondContact O-N 3.18Å; A92-V95 PolarHBondContact O-N 3.4Å; A92-A96 VanDerWaalsContact O-CB 3.28Å; A92-A96 WeakPolarHBondContact O-CB 3.24Å; A92-A96 PolarHBondContact O-N 3.35Å
93M87.3Confident86.7Confident135 Ų13559.1 Ų59.167%0.66528%0.283SS*.Hα-helixtrans-61.8-45.4174.1-175.6180-179.600111L89 L90 V91 V95 A96 Y97L89-M93 WeakPolarHBondContact O-CB 3.47Å; L89-M93 PolarHBondContact O-N 2.81Å; L90-M93 PolarHBondContact O-N 3.38Å; V91-M93 VanDerWaalsContact C-N 3.32Å; V91-M93 PolarHBondContact O-N 3.35Å; M93-V95 PolarHBondContact O-N 3Å; M93-A96 PolarHBondContact O-N 2.94Å; M93-Y97 VanDerWaalsContact O-CB 3.29Å; M93-Y97 WeakPolarHBondContact O-CB 3.3Å; M93-Y97 PolarHBondContact O-N 3.06Å
94H87Confident86.3Confident43 Ų4361.8 Ų61.820%0.19929%0.29CS..Hα-helixtrans-60.6-43.2176.5-180-137.6000111.9L90 V91 R98 T135L90-H94 WeakPolarHBondContact O-CB 3.08Å; L90-H94 PolarHBondContact O-N 3.45Å; V91-H94 WeakPolarHBondContact O-CB 3.29Å; V91-H94 PolarHBondContact O-N 3.5Å; H94-R98 PolarHBondContact CE1-NE 3.43Å; H94-R98 VanDerWaalsContact CE1-NE 3.32Å; H94-R98 PolarHBondContact NE2-NE 3.25Å; H94-R98 PolarHBondContact NE2-NH2 3.24Å; H94-R98 WeakPolarHBondContact O-CG 3.34Å; H94-R98 PolarHBondContact O-N 2.92Å; H94-T135 PolarHBondContact CE1-OG1 2.96Å; H94-T135 PolarHBondContact ND1-OG1 3.02Å
95V83.5Confident85.8Confident8 Ų865.6 Ų65.65%0.04831%0.307CS..Hα-helixtrans-65.3-45.9176173.70000111.4Y16 V91 A92 M93 Y97 R98 R99 V126 L132Y16-V95 HydrophobicContact CD1-CB 4.42Å; Y16-V95 HydrophobicContact CD1-CG1 3.42Å; Y16-V95 VanDerWaalsContact CD1-CG1 3.42Å; Y16-V95 HydrophobicContact CD2-CG1 4.46Å; Y16-V95 HydrophobicContact CE1-CG1 3.79Å; Y16-V95 HydrophobicContact CG-CB 4.33Å; Y16-V95 HydrophobicContact CG-CG1 3.78Å; V91-V95 HydrophobicContact CG1-CG2 4.46Å; V91-V95 WeakPolarHBondContact O-CG2 3.2Å; V91-V95 PolarHBondContact O-N 3.28Å; A92-V95 PolarHBondContact O-N 3.4Å; M93-V95 PolarHBondContact O-N 3Å; V95-Y97 PolarHBondContact O-N 3.25Å; V95-R98 PolarHBondContact O-N 2.97Å; V95-R99 WeakPolarHBondContact O-CB 3.43Å; V95-R99 PolarHBondContact O-N 3.45Å; V95-V126 HydrophobicContact CG1-CG1 4.07Å; V95-V126 HydrophobicContact CG1-CG2 3.9Å; V95-V126 HydrophobicContact CG2-CG1 4.42Å; V95-L132 HydrophobicContact CG2-CD1 3.46Å; V95-L132 VanDerWaalsContact CG2-CD1 3.46Å; V95-L132 HydrophobicContact CG2-CD2 4.02Å; V95-L132 HydrophobicContact CG2-CG 4.39Å
96A83.4Confident85.3Confident43 Ų4367.7 Ų67.736%0.35532%0.316SS..Hα-helixtrans-61.3-44.5178.300000111.4A92 M93 R99 H100A92-A96 VanDerWaalsContact O-CB 3.28Å; A92-A96 WeakPolarHBondContact O-CB 3.24Å; A92-A96 PolarHBondContact O-N 3.35Å; M93-A96 PolarHBondContact O-N 2.94Å; A96-R99 PolarHBondContact O-N 3.38Å; A96-H100 WeakPolarHBondContact O-CB 3.28Å; A96-H100 PolarHBondContact O-N 2.89Å
97Y87Confident84.7Confident149 Ų14970.2 Ų70.258%0.58433%0.326SS*.Hα-helixtrans-60.2-50.6176.2-179.7-96.3000111.6M93 V95 R99 H100 E101M93-Y97 VanDerWaalsContact O-CB 3.29Å; M93-Y97 WeakPolarHBondContact O-CB 3.3Å; M93-Y97 PolarHBondContact O-N 3.06Å; V95-Y97 PolarHBondContact O-N 3.25Å; Y97-R99 VanDerWaalsContact C-N 3.31Å; Y97-R99 PolarHBondContact O-N 2.88Å; Y97-H100 WeakPolarHBondContact O-CB 3.47Å; Y97-H100 PolarHBondContact O-N 3.47Å; Y97-E101 WeakPolarHBondContact O-CB 3.45Å; Y97-E101 PolarHBondContact O-N 3.02Å
98R83.2Confident84.4Confident87 Ų8775.5 Ų75.533%0.32835%0.348SS..Hα-helixtrans-60-40.4177.8-78.1-168.5179-133.1-9.8112.8H94 V95 E101 K102 S131H94-R98 PolarHBondContact CE1-NE 3.43Å; H94-R98 VanDerWaalsContact CE1-NE 3.32Å; H94-R98 PolarHBondContact NE2-NE 3.25Å; H94-R98 PolarHBondContact NE2-NH2 3.24Å; H94-R98 WeakPolarHBondContact O-CG 3.34Å; H94-R98 PolarHBondContact O-N 2.92Å; V95-R98 PolarHBondContact O-N 2.97Å; R98-E101 PolarHBondContact O-N 3.46Å; R98-K102 WeakPolarHBondContact O-CB 3.25Å; R98-K102 WeakPolarHBondContact O-CG 3.37Å; R98-K102 PolarHBondContact O-N 3.03Å; R98-S131 VanDerWaalsContact NH2-CB 3.26Å; R98-S131 PolarHBondContact NH2-OG 2.9Å
99R78.8Confident83.8Confident48 Ų4877 Ų7718%0.18136%0.364CS..Hα-helixtrans-66.2-42.3177.7-166.2-174.7-155.7147.719.3111.3V95 A96 Y97 E101 K102 K103 I121 K122V95-R99 WeakPolarHBondContact O-CB 3.43Å; V95-R99 PolarHBondContact O-N 3.45Å; A96-R99 PolarHBondContact O-N 3.38Å; Y97-R99 VanDerWaalsContact C-N 3.31Å; Y97-R99 PolarHBondContact O-N 2.88Å; R99-E101 VanDerWaalsContact C-N 3.35Å; R99-K102 PolarHBondContact O-N 3.21Å; R99-K103 WeakPolarHBondContact O-CB 3.35Å; R99-K103 PolarHBondContact O-N 3.18Å; R99-I121 HydrophobicContact CG-CG2 4.29Å; R99-I121 PolarHBondContact NE-O 3.44Å; R99-I121 PolarHBondContact NH2-O 2.83Å; R99-K122 PolarHBondContact NH2-O 2.87Å
100H84Confident83Confident121 Ų12180.7 Ų80.756%0.5638%0.38SS*.Hα-helixtrans-62.3-43.5175.9-178.3-97.5000111.3A96 Y97 K103 R104A96-H100 WeakPolarHBondContact O-CB 3.28Å; A96-H100 PolarHBondContact O-N 2.89Å; Y97-H100 WeakPolarHBondContact O-CB 3.47Å; Y97-H100 PolarHBondContact O-N 3.47Å; H100-K103 PolarHBondContact O-N 3.04Å; H100-R104 WeakPolarHBondContact O-CB 3.16Å; H100-R104 PolarHBondContact O-N 2.96Å
101E86Confident81.8Confident65 Ų6578.2 Ų78.230%0.30437%0.366SS..Hα-helixtrans-63.2-46.3176.3-164.3-167.9160.400112Y97 R98 R99 K103 R104 K105Y97-E101 WeakPolarHBondContact O-CB 3.45Å; Y97-E101 PolarHBondContact O-N 3.02Å; R98-E101 PolarHBondContact O-N 3.46Å; R99-E101 VanDerWaalsContact C-N 3.35Å; E101-K103 VanDerWaalsContact C-N 3.35Å; E101-K103 PolarHBondContact O-N 3.45Å; E101-R104 PolarHBondContact O-N 2.84Å; E101-K105 HydrophobicContact CG-CD 4.45Å; E101-K105 WeakPolarHBondContact O-CG 3.44Å; E101-K105 PolarHBondContact O-N 2.92Å; E101-K105 WeakPolarHBondContact OE1-CE 3.33Å; E101-K105 IonicContact OE1-NZ 2.72Å; E101-K105 PolarHBondContact OE1-NZ 2.97Å
102K80.8Confident80.4Confident114 Ų11486.2 Ų86.250%0.49640%0.4SS..Hα-helixtrans-58-45.4174.5-76.3-175.1178.1-165.40111.9R98 R99 R104 K105 F106R98-K102 WeakPolarHBondContact O-CB 3.25Å; R98-K102 WeakPolarHBondContact O-CG 3.37Å; R98-K102 PolarHBondContact O-N 3.03Å; R99-K102 PolarHBondContact O-N 3.21Å; K102-R104 VanDerWaalsContact C-N 3.35Å; K102-R104 PolarHBondContact O-N 3.34Å; K102-K105 PolarHBondContact O-N 2.86Å; K102-F106 WeakPolarHBondContact O-CB 3.4Å; K102-F106 PolarHBondContact O-N 3.38Å
103K80.8Confident79.1Confident84 Ų8493.5 Ų93.537%0.36544%0.437SS..Hα-helixtrans-61.1-42.9176-172.6-172.7177.9-1660111.5R99 H100 E101 F106 I107R99-K103 WeakPolarHBondContact O-CB 3.35Å; R99-K103 PolarHBondContact O-N 3.18Å; H100-K103 PolarHBondContact O-N 3.04Å; E101-K103 VanDerWaalsContact C-N 3.35Å; E101-K103 PolarHBondContact O-N 3.45Å; K103-F106 PolarHBondContact O-N 3.49Å; K103-I107 HydrophobicContact CG-CD1 4.07Å; K103-I107 WeakPolarHBondContact O-CG1 3.47Å; K103-I107 PolarHBondContact O-N 3.14Å
104R85.2Confident77.7Confident149 Ų14994.5 Ų94.556%0.56244%0.441SS*.Hα-helixtrans-63.6-43.3178.1-173.6-177.8179.8-152.31.6112H100 E101 K102 I107 K108H100-R104 WeakPolarHBondContact O-CB 3.16Å; H100-R104 PolarHBondContact O-N 2.96Å; E101-R104 PolarHBondContact O-N 2.84Å; K102-R104 VanDerWaalsContact C-N 3.35Å; K102-R104 PolarHBondContact O-N 3.34Å; R104-I107 PolarHBondContact O-N 3.18Å; R104-K108 WeakPolarHBondContact O-CG 3.36Å; R104-K108 PolarHBondContact O-N 2.94Å; R104-K108 VanDerWaalsContact O-N 3.11Å
105K83.7Confident76.2Confident80 Ų8094.4 Ų94.435%0.34844%0.44SS..Hα-helixtrans-66.1-38176.8-72.4178.8164.5164.50112.4E101 K102 K108 G109 E110 I111E101-K105 HydrophobicContact CG-CD 4.45Å; E101-K105 WeakPolarHBondContact O-CG 3.44Å; E101-K105 PolarHBondContact O-N 2.92Å; E101-K105 WeakPolarHBondContact OE1-CE 3.33Å; E101-K105 IonicContact OE1-NZ 2.72Å; E101-K105 PolarHBondContact OE1-NZ 2.97Å; K102-K105 PolarHBondContact O-N 2.86Å; K105-K108 PolarHBondContact O-N 3.32Å; K105-G109 PolarHBondContact O-N 2.9Å; K105-E110 PolarHBondContact O-N 3.45Å; K105-I111 HydrophobicContact CB-CD1 3.6Å; K105-I111 HydrophobicContact CB-CG1 4.1Å
106F78Confident74.9Confident47 Ų47102.9 Ų102.921%0.20648%0.476CS..Hα-helixtrans-62.6-47173.2-172.5-98.7000112K102 K103 K108 G109 I111 F115 I118 I121K102-F106 WeakPolarHBondContact O-CB 3.4Å; K102-F106 PolarHBondContact O-N 3.38Å; K103-F106 PolarHBondContact O-N 3.49Å; F106-K108 VanDerWaalsContact C-N 3.29Å; F106-K108 PolarHBondContact O-N 3.32Å; F106-G109 PolarHBondContact O-N 2.89Å; F106-I111 HydrophobicContact CD2-CB 4.49Å; F106-I111 HydrophobicContact CD2-CG2 4.46Å; F106-I111 WeakPolarHBondContact CD2-O 3.46Å; F106-F115 HydrophobicContact CD2-CB 4.22Å; F106-F115 HydrophobicContact CE2-CB 3.67Å; F106-F115 VanDerWaalsContact CE2-O 3.31Å; F106-F115 WeakPolarHBondContact CE2-O 3.14Å; F106-F115 HydrophobicContact CZ-CB 4.08Å; F106-F115 VanDerWaalsContact CZ-O 3.28Å; F106-F115 WeakPolarHBondContact CZ-O 3.39Å; F106-I118 HydrophobicContact CD1-CG1 4.05Å; F106-I118 HydrophobicContact CE1-CG1 3.9Å; F106-I121 HydrophobicContact CB-CD1 4.17Å; F106-I121 HydrophobicContact CD1-CD1 4.23Å; F106-I121 HydrophobicContact CD2-CD1 4.42Å; F106-I121 HydrophobicContact CG-CD1 4.02Å
107I80.8Confident73.9Confident112 Ų112105.6 Ų105.657%0.57448%0.484SS*.Hα-helixtrans-62.7-34.7177.9-69.1167.8000112.1K103 R104 G109 I118K103-I107 HydrophobicContact CG-CD1 4.07Å; K103-I107 WeakPolarHBondContact O-CG1 3.47Å; K103-I107 PolarHBondContact O-N 3.14Å; R104-I107 PolarHBondContact O-N 3.18Å; I107-G109 PolarHBondContact O-N 2.98Å; I107-I118 HydrophobicContact CG1-CD1 4.49Å
108K85.3Confident72.7Confident121 Ų121101.7 Ų101.753%0.52647%0.473SS..THydrogen-bonded Turntrans-73.9-4.5176-73.9-177172.2-165.30114.2R104 K105 F106 E110R104-K108 WeakPolarHBondContact O-CG 3.36Å; R104-K108 PolarHBondContact O-N 2.94Å; R104-K108 VanDerWaalsContact O-N 3.11Å; K105-K108 PolarHBondContact O-N 3.32Å; F106-K108 VanDerWaalsContact C-N 3.29Å; F106-K108 PolarHBondContact O-N 3.32Å; K108-E110 VanDerWaalsContact C-N 3.25Å; K108-E110 HydrophobicContact CB-CG 4.24Å; K108-E110 PolarHBondContact O-N 3.13Å
109G74.1Confident71.9Confident36 Ų36104.3 Ų104.337%0.37149%0.489SS..THydrogen-bonded Turntrans73.812.3-178.600000114.6K105 F106 I107 I111K105-G109 PolarHBondContact O-N 2.9Å; F106-G109 PolarHBondContact O-N 2.89Å; I107-G109 PolarHBondContact O-N 2.98Å; G109-I111 VanDerWaalsContact C-N 3.3Å
110E71.1Confident71.1Confident125 Ų125106.1 Ų106.158%0.58450%0.5SS*.SBendtrans-74.4-23176.3-67.6174.1-17700111.8K105 K108K105-E110 PolarHBondContact O-N 3.45Å; K108-E110 VanDerWaalsContact C-N 3.25Å; K108-E110 HydrophobicContact CB-CG 4.24Å; K108-E110 PolarHBondContact O-N 3.13Å
111I66.7Low70.1Confident54 Ų54100.9 Ų100.928%0.27748%0.476SS..  trans-116.392178.2-58.5173.5000107.6K105 F106 G109 E114K105-I111 HydrophobicContact CB-CD1 3.6Å; K105-I111 HydrophobicContact CB-CG1 4.1Å; F106-I111 HydrophobicContact CD2-CB 4.49Å; F106-I111 HydrophobicContact CD2-CG2 4.46Å; F106-I111 WeakPolarHBondContact CD2-O 3.46Å; G109-I111 VanDerWaalsContact C-N 3.3Å; I111-E114 HydrophobicContact CG2-CB 4.44Å
112K58.2Low68.9Low179 Ų179103.5 Ų103.578%0.77849%0.486SS*.  trans-91-6.9-172.8-99.2179.9177.8-178.90116.4
113N56Low67.9Low163 Ų163103.3 Ų103.387%0.87249%0.494SS*.SBendtrans-134.74.2-164.4-78.7-17.2000117.9
114E57.4Low67Low157 Ų157102.7 Ų102.773%0.73449%0.493SS*.SBendtrans-115.6-8.5-171.4-118.3-172.2166.700116.9I111I111-E114 HydrophobicContact CG2-CB 4.44Å
115F56.8Low65.8Low40 Ų40103.5 Ų103.518%0.17550%0.5CS..  trans-139.2123.2179-82.4-86.1000110F106 D117 E120 I121 Q124F106-F115 HydrophobicContact CD2-CB 4.22Å; F106-F115 HydrophobicContact CE2-CB 3.67Å; F106-F115 VanDerWaalsContact CE2-O 3.31Å; F106-F115 WeakPolarHBondContact CE2-O 3.14Å; F106-F115 HydrophobicContact CZ-CB 4.08Å; F106-F115 VanDerWaalsContact CZ-O 3.28Å; F106-F115 WeakPolarHBondContact CZ-O 3.39Å; F115-D117 VanDerWaalsContact C-N 3.35Å; F115-E120 HydrophobicContact CD1-CB 3.61Å; F115-E120 HydrophobicContact CE1-CB 3.99Å; F115-I121 HydrophobicContact CB-CD1 4.25Å; F115-I121 HydrophobicContact CB-CG1 4.06Å; F115-I121 HydrophobicContact CD1-CB 4.3Å; F115-I121 HydrophobicContact CD1-CD1 4.32Å; F115-I121 HydrophobicContact CD1-CG1 3.29Å; F115-I121 HydrophobicContact CD2-CD1 4.27Å; F115-I121 HydrophobicContact CD2-CG1 3.89Å; F115-I121 HydrophobicContact CE1-CB 4.31Å; F115-I121 HydrophobicContact CE1-CG1 3.64Å; F115-I121 HydrophobicContact CE2-CG1 4.21Å; F115-I121 HydrophobicContact CG-CD1 3.99Å; F115-I121 HydrophobicContact CG-CG1 3.43Å; F115-I121 VanDerWaalsContact CG-CG1 3.43Å; F115-I121 HydrophobicContact CZ-CG1 4.1Å; F115-Q124 HydrophobicContact CE1-CB 4.45Å
116K56.1Low64.8Low186 Ų186101.7 Ų101.781%0.80950%0.496SS*.SBendtrans-78.6-23177-92.8-179173.3-179.60111.7E120K116-E120 PolarHBondContact N-OE2 2.99Å
117D61.1Low64.1Low100 Ų100106.2 Ų106.254%0.53551%0.512SS..  trans-146.2148176.1-76.1-55.4000113.5F115 E119 E120F115-D117 VanDerWaalsContact C-N 3.35Å; D117-E119 HydrophobicContact CB-CB 4.43Å; D117-E119 PolarHBondContact O-N 3.09Å; D117-E119 VanDerWaalsContact O-N 3.15Å; D117-E120 HydrophobicContact CB-CG 4.49Å; D117-E120 WeakPolarHBondContact O-CB 3.45Å; D117-E120 PolarHBondContact O-N 3.38Å
118I63.2Low63.4Low68 Ų68101.6 Ų101.635%0.34949%0.488SS..Hα-helixtrans-58.2-27171.4-67.2175000111.2F106 I107 I121 K122F106-I118 HydrophobicContact CD1-CG1 4.05Å; F106-I118 HydrophobicContact CE1-CG1 3.9Å; I107-I118 HydrophobicContact CG1-CD1 4.49Å; I118-I121 PolarHBondContact O-N 2.99Å; I118-K122 PolarHBondContact O-N 3.24Å
119E65.6Low62.6Low142 Ų14299.9 Ų99.966%0.66448%0.482SS*.Hα-helixtrans-65.8-37175.5-64.4-157.5147.500112.7D117 I121 K122 T123D117-E119 HydrophobicContact CB-CB 4.43Å; D117-E119 PolarHBondContact O-N 3.09Å; D117-E119 VanDerWaalsContact O-N 3.15Å; E119-I121 VanDerWaalsContact C-N 3.28Å; E119-I121 PolarHBondContact O-N 3.43Å; E119-K122 CarbonylContact O-C 3.56Å; E119-K122 WeakPolarHBondContact O-CA 3.42Å; E119-K122 WeakPolarHBondContact O-CB 3.22Å; E119-K122 PolarHBondContact O-N 3.46Å; E119-T123 PolarHBondContact O-N 2.91Å; E119-T123 PolarHBondContact O-OG1 2.97Å
120E62.9Low62.9Low86 Ų86100.8 Ų100.840%0.40249%0.491SS..Hα-helixtrans-62.1-37.4174.2-73.1-177.5151.500110.9F115 K116 D117 K122 T123 Q124F115-E120 HydrophobicContact CD1-CB 3.61Å; F115-E120 HydrophobicContact CE1-CB 3.99Å; K116-E120 PolarHBondContact N-OE2 2.99Å; D117-E120 HydrophobicContact CB-CG 4.49Å; D117-E120 WeakPolarHBondContact O-CB 3.45Å; D117-E120 PolarHBondContact O-N 3.38Å; E120-K122 PolarHBondContact O-N 3.11Å; E120-T123 WeakPolarHBondContact CA-OG1 3.48Å; E120-T123 PolarHBondContact O-N 3.46Å; E120-T123 PolarHBondContact O-OG1 3.35Å; E120-Q124 VanDerWaalsContact O-CB 3.26Å; E120-Q124 WeakPolarHBondContact O-CB 3.5Å; E120-Q124 PolarHBondContact O-N 3.21Å
121I61.8Low63.5Low11 Ų1197.6 Ų97.66%0.05648%0.482CS..Hα-helixtrans-63-28.8173.7-58.6175.3000110.9R99 F106 F115 I118 E119R99-I121 HydrophobicContact CG-CG2 4.29Å; R99-I121 PolarHBondContact NE-O 3.44Å; R99-I121 PolarHBondContact NH2-O 2.83Å; F106-I121 HydrophobicContact CB-CD1 4.17Å; F106-I121 HydrophobicContact CD1-CD1 4.23Å; F106-I121 HydrophobicContact CD2-CD1 4.42Å; F106-I121 HydrophobicContact CG-CD1 4.02Å; F115-I121 HydrophobicContact CB-CD1 4.25Å; F115-I121 HydrophobicContact CB-CG1 4.06Å; F115-I121 HydrophobicContact CD1-CB 4.3Å; F115-I121 HydrophobicContact CD1-CD1 4.32Å; F115-I121 HydrophobicContact CD1-CG1 3.29Å; F115-I121 HydrophobicContact CD2-CD1 4.27Å; F115-I121 HydrophobicContact CD2-CG1 3.89Å; F115-I121 HydrophobicContact CE1-CB 4.31Å; F115-I121 HydrophobicContact CE1-CG1 3.64Å; F115-I121 HydrophobicContact CE2-CG1 4.21Å; F115-I121 HydrophobicContact CG-CD1 3.99Å; F115-I121 HydrophobicContact CG-CG1 3.43Å; F115-I121 VanDerWaalsContact CG-CG1 3.43Å; F115-I121 HydrophobicContact CZ-CG1 4.1Å; I118-I121 PolarHBondContact O-N 2.99Å; E119-I121 VanDerWaalsContact C-N 3.28Å; E119-I121 PolarHBondContact O-N 3.43Å
122K61.2Low64.2Low119 Ų11995.6 Ų95.652%0.51747%0.472SS..Hα-helixtrans-82.7-27.4178-73.3-177.8-179.6175.10113.9R99 I118 E119 E120R99-K122 PolarHBondContact NH2-O 2.87Å; I118-K122 PolarHBondContact O-N 3.24Å; E119-K122 CarbonylContact O-C 3.56Å; E119-K122 WeakPolarHBondContact O-CA 3.42Å; E119-K122 WeakPolarHBondContact O-CB 3.22Å; E119-K122 PolarHBondContact O-N 3.46Å; E120-K122 PolarHBondContact O-N 3.11Å
123T59.7Low65.5Low110 Ų11087.9 Ų87.968%0.67544%0.438SS*.Hα-helixtrans-96.8-18.7179.757.50000113E119 E120 K125E119-T123 PolarHBondContact O-N 2.91Å; E119-T123 PolarHBondContact O-OG1 2.97Å; E120-T123 WeakPolarHBondContact CA-OG1 3.48Å; E120-T123 PolarHBondContact O-N 3.46Å; E120-T123 PolarHBondContact O-OG1 3.35Å; T123-K125 PolarHBondContact O-N 2.83Å; T123-K125 VanDerWaalsContact O-N 3.08Å
124Q61.5Low67.1Low72 Ų7287.6 Ų87.634%0.33643%0.425SS..SBendtrans-55.8119.4179.4-164-172.826.600110.4F115 E120 V126F115-Q124 HydrophobicContact CE1-CB 4.45Å; E120-Q124 VanDerWaalsContact O-CB 3.26Å; E120-Q124 WeakPolarHBondContact O-CB 3.5Å; E120-Q124 PolarHBondContact O-N 3.21Å; Q124-V126 PolarHBondContact O-N 3.39Å
125K61.3Low68.6Low165 Ų16582.3 Ų82.372%0.71740%0.404SS*.  trans-56.8126.2168.4-70.4-175178.3-178.20107.8T123 R127T123-K125 PolarHBondContact O-N 2.83Å; T123-K125 VanDerWaalsContact O-N 3.08Å; K125-R127 PolarHBondContact O-N 2.69Å
126V62.2Low70.1Confident42 Ų4280.7 Ų80.726%0.25540%0.396SS..  trans-63106.4-179.5178.10000108.1Y16 V95 Q124 I128 L132Y16-V126 HydrophobicContact CD1-CG2 3.85Å; Y16-V126 HydrophobicContact CE1-CG2 4.43Å; V95-V126 HydrophobicContact CG1-CG1 4.07Å; V95-V126 HydrophobicContact CG1-CG2 3.9Å; V95-V126 HydrophobicContact CG2-CG1 4.42Å; Q124-V126 PolarHBondContact O-N 3.39Å; V126-I128 PolarHBondContact O-N 2.64Å; V126-L132 HydrophobicContact CG1-CD2 3.34Å
127R63.1Low71.8Confident143 Ų14372.5 Ų72.554%0.5436%0.362SS..  trans-71.1114.8173.2-70.6-173.9-175.8169.32.2108K125 E129K125-R127 PolarHBondContact O-N 2.69Å; R127-E129 HydrophobicContact CB-CG 4.12Å; R127-E129 PolarHBondContact O-N 2.82Å
128I65.3Low73.3Confident15 Ų1570.3 Ų70.38%0.07735%0.354CS..  trans-73.177.8173.4-54.3178000107.7T18 V126 W133 Y136 V226T18-I128 HydrophobicContact CG2-CD1 3.72Å; V126-I128 PolarHBondContact O-N 2.64Å; I128-W133 HydrophobicContact CG2-CB 3.9Å; I128-W133 HydrophobicContact CG2-CG 4.18Å; I128-Y136 HydrophobicContact CD1-CD1 4.33Å; I128-Y136 HydrophobicContact CD1-CE1 4.36Å; I128-Y136 HydrophobicContact CD1-CG 4.45Å; I128-V226 HydrophobicContact CD1-CB 4.49Å
129E69.9Low74.7Confident85 Ų8567.4 Ų67.440%0.39734%0.34SS..  trans-126.1148.2-177.9-73.4177.5-174.300111.3R127 S131 L132R127-E129 HydrophobicContact CB-CG 4.12Å; R127-E129 PolarHBondContact O-N 2.82Å; E129-S131 PolarHBondContact O-N 3.46Å; E129-L132 PolarHBondContact O-N 2.82Å
130G79.8Confident76Confident55 Ų5560.6 Ų60.657%0.56731%0.308SS*.THydrogen-bonded Turntrans60.3-127177.100000113.3L132 W133G130-L132 VanDerWaalsContact C-N 3.25Å; G130-L132 PolarHBondContact O-N 3.37Å; G130-W133 WeakPolarHBondContact O-CB 3.33Å; G130-W133 PolarHBondContact O-N 2.91Å
131S82.9Confident77.6Confident57 Ų5761.7 Ų61.740%0.39931%0.312SS..Hα-helixtrans-64.1-26.5-177.3164.70000113.7R98 E129 W133 W134 T135R98-S131 VanDerWaalsContact NH2-CB 3.26Å; R98-S131 PolarHBondContact NH2-OG 2.9Å; E129-S131 PolarHBondContact O-N 3.46Å; S131-W133 VanDerWaalsContact C-N 3.33Å; S131-W133 PolarHBondContact O-N 3.39Å; S131-W134 PolarHBondContact O-N 2.99Å; S131-T135 PolarHBondContact O-N 3.46Å; S131-T135 PolarHBondContact O-OG1 3.48Å
132L83.4Confident79.2Confident12 Ų1265.7 Ų65.76%0.06333%0.329CS..Hα-helixtrans-67.5-36.8176.2-177.661.7000111.5V95 V126 E129 G130 W134 T135 Y136V95-L132 HydrophobicContact CG2-CD1 3.46Å; V95-L132 VanDerWaalsContact CG2-CD1 3.46Å; V95-L132 HydrophobicContact CG2-CD2 4.02Å; V95-L132 HydrophobicContact CG2-CG 4.39Å; V126-L132 HydrophobicContact CG1-CD2 3.34Å; E129-L132 PolarHBondContact O-N 2.82Å; G130-L132 VanDerWaalsContact C-N 3.25Å; G130-L132 PolarHBondContact O-N 3.37Å; L132-W134 PolarHBondContact O-N 3.23Å; L132-T135 WeakPolarHBondContact CA-OG1 3.22Å; L132-T135 PolarHBondContact O-N 2.83Å; L132-T135 PolarHBondContact O-OG1 3.17Å; L132-Y136 VanDerWaalsContact O-CB 3.3Å; L132-Y136 WeakPolarHBondContact O-CB 3.33Å; L132-Y136 PolarHBondContact O-N 2.95Å
133W85.3Confident80.9Confident18 Ų1860.3 Ų60.37%0.06831%0.305CS..Hα-helixtrans-59.8-46.4175.6-171.593.7000111.3I128 G130 S131 T135 Y136 T137 L213 Y217I128-W133 HydrophobicContact CG2-CB 3.9Å; I128-W133 HydrophobicContact CG2-CG 4.18Å; G130-W133 WeakPolarHBondContact O-CB 3.33Å; G130-W133 PolarHBondContact O-N 2.91Å; S131-W133 VanDerWaalsContact C-N 3.33Å; S131-W133 PolarHBondContact O-N 3.39Å; W133-T135 PolarHBondContact O-N 3.08Å; W133-Y136 PolarHBondContact O-N 3.37Å; W133-T137 HydrophobicContact CH2-CG2 4.18Å; W133-T137 HydrophobicContact CZ3-CG2 4.39Å; W133-T137 WeakPolarHBondContact O-CB 3.46Å; W133-T137 PolarHBondContact O-N 3.3Å; W133-T137 PolarHBondContact O-OG1 3.17Å; W133-L213 HydrophobicContact CZ2-CB 4.29Å; W133-Y217 HydrophobicContact CE3-CD2 4.49Å; W133-Y217 AromaticContact CH2-CD2 3.67Å; W133-Y217 HydrophobicContact CH2-CD2 3.67Å; W133-Y217 HydrophobicContact CH2-CE2 4.27Å; W133-Y217 AromaticContact CH2-CG 3.89Å; W133-Y217 HydrophobicContact CH2-CG 3.89Å; W133-Y217 AromaticContact CZ2-CD2 3.8Å; W133-Y217 HydrophobicContact CZ2-CD2 3.8Å; W133-Y217 HydrophobicContact CZ2-CG 4.02Å; W133-Y217 HydrophobicContact CZ3-CD2 4.04Å; W133-Y217 HydrophobicContact CZ3-CE2 4.21Å
134W88.1Confident82.6Confident157 Ų15756.3 Ų56.360%0.59528%0.281SS*.Hα-helixtrans-59.8-46.2176.5-80.5113.2000113S131 L132 Y136 S138S131-W134 PolarHBondContact O-N 2.99Å; L132-W134 PolarHBondContact O-N 3.23Å; W134-Y136 VanDerWaalsContact C-N 3.3Å; W134-Y136 PolarHBondContact O-N 3.45Å; W134-S138 VanDerWaalsContact O-CB 3.24Å; W134-S138 WeakPolarHBondContact O-CB 3.41Å; W134-S138 PolarHBondContact O-N 3.4Å
135T90.2Very high84.3Confident46 Ų4655.7 Ų55.728%0.28228%0.282SS..Hα-helixtrans-64.8-35.8177.4560000112.5H94 S131 L132 W133 S139H94-T135 PolarHBondContact CE1-OG1 2.96Å; H94-T135 PolarHBondContact ND1-OG1 3.02Å; S131-T135 PolarHBondContact O-N 3.46Å; S131-T135 PolarHBondContact O-OG1 3.48Å; L132-T135 WeakPolarHBondContact CA-OG1 3.22Å; L132-T135 PolarHBondContact O-N 2.83Å; L132-T135 PolarHBondContact O-OG1 3.17Å; W133-T135 PolarHBondContact O-N 3.08Å; T135-S139 VanDerWaalsContact O-CB 3.25Å; T135-S139 WeakPolarHBondContact O-CB 3.28Å; T135-S139 PolarHBondContact O-N 3.2Å
136Y88.4Confident86Confident6 Ų650.3 Ų50.32%0.02426%0.259CS..Hα-helixtrans-70.2-49.3179.3-168.3-98000111.6T18 V91 I128 L132 W133 W134 S138 S139 I140 E209 L213T18-Y136 HydrophobicContact CG2-CE1 3.85Å; T18-Y136 WeakPolarHBondContact CG2-OH 3.26Å; V91-Y136 HydrophobicContact CG1-CD2 3.8Å; V91-Y136 HydrophobicContact CG1-CE2 4.37Å; I128-Y136 HydrophobicContact CD1-CD1 4.33Å; I128-Y136 HydrophobicContact CD1-CE1 4.36Å; I128-Y136 HydrophobicContact CD1-CG 4.45Å; L132-Y136 VanDerWaalsContact O-CB 3.3Å; L132-Y136 WeakPolarHBondContact O-CB 3.33Å; L132-Y136 PolarHBondContact O-N 2.95Å; W133-Y136 PolarHBondContact O-N 3.37Å; W134-Y136 VanDerWaalsContact C-N 3.3Å; W134-Y136 PolarHBondContact O-N 3.45Å; Y136-S138 PolarHBondContact O-N 3.16Å; Y136-S139 WeakPolarHBondContact O-CB 3.46Å; Y136-S139 PolarHBondContact O-N 3.4Å; Y136-I140 HydrophobicContact CD1-CD1 3.7Å; Y136-I140 HydrophobicContact CE1-CD1 3.29Å; Y136-I140 HydrophobicContact CE1-CG1 4.23Å; Y136-I140 PolarHBondContact O-N 2.95Å; Y136-E209 VanDerWaalsContact CE1-OE1 3.25Å; Y136-E209 WeakPolarHBondContact CE1-OE1 3.02Å; Y136-E209 VanDerWaalsContact CZ-OE1 3.26Å; Y136-E209 PolarHBondContact OH-OE1 3.37Å; Y136-L213 HydrophobicContact CD1-CD1 3.68Å; Y136-L213 HydrophobicContact CE1-CD1 3.86Å
137T90.8Very high87.6Confident13 Ų1348.3 Ų48.38%0.0825%0.247CC..Hα-helixtrans-60.7-44.7177.3-59.20000111.2W133 S139 I140 F141 L210W133-T137 HydrophobicContact CH2-CG2 4.18Å; W133-T137 HydrophobicContact CZ3-CG2 4.39Å; W133-T137 WeakPolarHBondContact O-CB 3.46Å; W133-T137 PolarHBondContact O-N 3.3Å; W133-T137 PolarHBondContact O-OG1 3.17Å; T137-S139 VanDerWaalsContact C-N 3.33Å; T137-S139 PolarHBondContact O-N 3.5Å; T137-I140 PolarHBondContact O-N 2.92Å; T137-F141 PolarHBondContact O-N 3Å; T137-L210 HydrophobicContact CG2-CD1 3.78Å
138S92.6Very high89.3Confident54 Ų5443.4 Ų43.438%0.37824%0.237SC..Hα-helixtrans-62.7-39.3175.6179.40000112W134 Y136 I140 F141 F142W134-S138 VanDerWaalsContact O-CB 3.24Å; W134-S138 WeakPolarHBondContact O-CB 3.41Å; W134-S138 PolarHBondContact O-N 3.4Å; Y136-S138 PolarHBondContact O-N 3.16Å; S138-I140 PolarHBondContact O-N 3.37Å; S138-F141 WeakPolarHBondContact O-CB 3.34Å; S138-F141 PolarHBondContact O-N 3.48Å; S138-F142 WeakPolarHBondContact O-CD2 3.02Å; S138-F142 PolarHBondContact O-N 2.9Å; S138-F142 WeakPolarHBondContact OG-CE2 3.29Å
139S93.4Very high90.8Very high7 Ų744.9 Ų44.95%0.04925%0.251CS..Hα-helixtrans-61.1-44.7175.8176.70000112.7P87 V91 T135 Y136 T137 F142 R143P87-S139 WeakPolarHBondContact CB-OG 3.16Å; P87-S139 PolarHBondContact O-OG 2.98Å; V91-S139 WeakPolarHBondContact CG2-OG 3.48Å; T135-S139 VanDerWaalsContact O-CB 3.25Å; T135-S139 WeakPolarHBondContact O-CB 3.28Å; T135-S139 PolarHBondContact O-N 3.2Å; Y136-S139 WeakPolarHBondContact O-CB 3.46Å; Y136-S139 PolarHBondContact O-N 3.4Å; T137-S139 VanDerWaalsContact C-N 3.33Å; T137-S139 PolarHBondContact O-N 3.5Å; S139-F142 PolarHBondContact O-N 3.35Å; S139-R143 WeakPolarHBondContact O-CD 3.4Å; S139-R143 VanDerWaalsContact O-CG 3.28Å; S139-R143 WeakPolarHBondContact O-CG 3.37Å; S139-R143 PolarHBondContact O-N 2.89Å
140I92.9Very high92.1Very high0 Ų042.2 Ų42.20%024%0.238CC..Hα-helixtrans-62.8-45176.1-66.1167.6000110.6Y136 T137 S138 F142 R143 V144 N206 E209 L210 L213Y136-I140 HydrophobicContact CD1-CD1 3.7Å; Y136-I140 HydrophobicContact CE1-CD1 3.29Å; Y136-I140 HydrophobicContact CE1-CG1 4.23Å; Y136-I140 PolarHBondContact O-N 2.95Å; T137-I140 PolarHBondContact O-N 2.92Å; S138-I140 PolarHBondContact O-N 3.37Å; I140-F142 PolarHBondContact O-N 3.34Å; I140-R143 WeakPolarHBondContact O-CB 3.37Å; I140-R143 PolarHBondContact O-N 2.68Å; I140-R143 VanDerWaalsContact O-N 3.17Å; I140-V144 WeakPolarHBondContact O-CG2 3.39Å; I140-V144 PolarHBondContact O-N 3.29Å; I140-N206 HydrophobicContact CG2-CB 4.14Å; I140-N206 VanDerWaalsContact CG2-O 3.24Å; I140-N206 WeakPolarHBondContact CG2-O 3.26Å; I140-E209 HydrophobicContact CD1-CB 4.27Å; I140-E209 HydrophobicContact CD1-CG 3.72Å; I140-L210 HydrophobicContact CG2-CB 3.86Å; I140-L210 HydrophobicContact CG2-CD1 4.31Å; I140-L213 HydrophobicContact CD1-CD1 3.63Å
141F95.2Very high92.8Very high109 Ų10942.6 Ų42.648%0.47823%0.226SC..Hα-helixtrans-55.6-50.7176.3174.1-98.1000111.7T137 S138 R143 V144 V145T137-F141 PolarHBondContact O-N 3Å; S138-F141 WeakPolarHBondContact O-CB 3.34Å; S138-F141 PolarHBondContact O-N 3.48Å; F141-R143 VanDerWaalsContact C-N 3.31Å; F141-R143 PolarHBondContact O-N 3.29Å; F141-V144 PolarHBondContact O-N 3.37Å; F141-V145 HydrophobicContact CD1-CG2 4.31Å; F141-V145 HydrophobicContact CE1-CG2 3.88Å; F141-V145 HydrophobicContact CE2-CG2 4.2Å; F141-V145 HydrophobicContact CZ-CG2 3.82Å; F141-V145 WeakPolarHBondContact O-CG2 3.36Å; F141-V145 PolarHBondContact O-N 3.28Å
142F96.6Very high93.4Very high94 Ų9447.5 Ų47.541%0.41224%0.237SC..Hα-helixtrans-63.4-34.4177.4-80-64.1000113.1P87 S138 S139 I140 V145 F146P87-F142 HydrophobicContact CG-CB 4.05Å; S138-F142 WeakPolarHBondContact O-CD2 3.02Å; S138-F142 PolarHBondContact O-N 2.9Å; S138-F142 WeakPolarHBondContact OG-CE2 3.29Å; S139-F142 PolarHBondContact O-N 3.35Å; I140-F142 PolarHBondContact O-N 3.34Å; F142-V145 PolarHBondContact O-N 3.49Å; F142-F146 HydrophobicContact CB-CD2 4.43Å; F142-F146 HydrophobicContact CB-CE2 4.06Å; F142-F146 HydrophobicContact CD1-CZ 4.3Å; F142-F146 WeakPolarHBondContact O-CB 3.36Å; F142-F146 WeakPolarHBondContact O-CD2 3.45Å; F142-F146 VanDerWaalsContact O-CG 3.28Å; F142-F146 WeakPolarHBondContact O-CG 3.35Å; F142-F146 PolarHBondContact O-N 3.04Å
143R95.5Very high93.9Very high6 Ų649.7 Ų49.72%0.02325%0.251CS..Hα-helixtrans-61.5-45.4173.8-75.6161.961.8-162.3-10.1111.5P87 S139 I140 F141 F146 E147 N206P87-R143 HydrophobicContact CB-CG 3.97Å; P87-R143 HydrophobicContact CG-CG 4.06Å; S139-R143 WeakPolarHBondContact O-CD 3.4Å; S139-R143 VanDerWaalsContact O-CG 3.28Å; S139-R143 WeakPolarHBondContact O-CG 3.37Å; S139-R143 PolarHBondContact O-N 2.89Å; I140-R143 WeakPolarHBondContact O-CB 3.37Å; I140-R143 PolarHBondContact O-N 2.68Å; I140-R143 VanDerWaalsContact O-N 3.17Å; F141-R143 VanDerWaalsContact C-N 3.31Å; F141-R143 PolarHBondContact O-N 3.29Å; R143-F146 PolarHBondContact O-N 3.45Å; R143-E147 WeakPolarHBondContact O-CB 3.31Å; R143-E147 WeakPolarHBondContact O-CG 3.29Å; R143-E147 PolarHBondContact O-N 2.73Å; R143-N206 PolarHBondContact NE-OD1 2.98Å; R143-N206 PolarHBondContact NH2-OD1 2.92Å
144V96.3Very high94.4Very high27 Ų2749.1 Ų49.116%0.16425%0.249CC..Hα-helixtrans-61.5-45.6175.1178.10000111I140 F141 E147 A148 N206 V207I140-V144 WeakPolarHBondContact O-CG2 3.39Å; I140-V144 PolarHBondContact O-N 3.29Å; F141-V144 PolarHBondContact O-N 3.37Å; V144-E147 PolarHBondContact O-N 2.96Å; V144-A148 WeakPolarHBondContact O-CB 3.15Å; V144-A148 PolarHBondContact O-N 3.12Å; V144-N206 HydrophobicContact CG2-CB 3.45Å; V144-N206 VanDerWaalsContact CG2-CB 3.45Å; V144-V207 HydrophobicContact CG1-CG2 4.12Å; V144-V207 HydrophobicContact CG2-CG2 4.1Å
145V97.6Very high94.6Very high59 Ų5947.5 Ų47.536%0.35824%0.243SC..Hα-helixtrans-60.4-47.9179.3171.10000111.2F141 F142 A148 A149F141-V145 HydrophobicContact CD1-CG2 4.31Å; F141-V145 HydrophobicContact CE1-CG2 3.88Å; F141-V145 HydrophobicContact CE2-CG2 4.2Å; F141-V145 HydrophobicContact CZ-CG2 3.82Å; F141-V145 WeakPolarHBondContact O-CG2 3.36Å; F141-V145 PolarHBondContact O-N 3.28Å; F142-V145 PolarHBondContact O-N 3.49Å; V145-A148 PolarHBondContact O-N 3.12Å; V145-A149 WeakPolarHBondContact O-CB 3.2Å; V145-A149 PolarHBondContact O-N 2.97Å
146F97.3Very high94.8Very high52 Ų5249.1 Ų49.123%0.22825%0.253CS..Hα-helixtrans-64.7-45.2178.6-65.4-38.4000111.8F83 V84 P87 F142 R143 A148 A149 F150F83-F146 HydrophobicContact CB-CB 4.38Å; F83-F146 HydrophobicContact CB-CD2 4.25Å; F83-F146 HydrophobicContact CB-CG 4.18Å; F83-F146 HydrophobicContact CD1-CD1 4.17Å; F83-F146 HydrophobicContact CD1-CE1 4.01Å; F83-F146 HydrophobicContact CD1-CE2 4.48Å; F83-F146 HydrophobicContact CD1-CZ 4.18Å; F83-F146 WeakPolarHBondContact O-CD2 2.9Å; V84-F146 HydrophobicContact CG2-CB 4.05Å; P87-F146 HydrophobicContact CG-CD2 4.14Å; P87-F146 HydrophobicContact CG-CE2 3.88Å; F142-F146 HydrophobicContact CB-CD2 4.43Å; F142-F146 HydrophobicContact CB-CE2 4.06Å; F142-F146 HydrophobicContact CD1-CZ 4.3Å; F142-F146 WeakPolarHBondContact O-CB 3.36Å; F142-F146 WeakPolarHBondContact O-CD2 3.45Å; F142-F146 VanDerWaalsContact O-CG 3.28Å; F142-F146 WeakPolarHBondContact O-CG 3.35Å; F142-F146 PolarHBondContact O-N 3.04Å; R143-F146 PolarHBondContact O-N 3.45Å; F146-A148 PolarHBondContact O-N 3.42Å; F146-A149 PolarHBondContact O-N 3.41Å; F146-F150 VanDerWaalsContact O-CD2 3.27Å; F146-F150 WeakPolarHBondContact O-CD2 2.96Å; F146-F150 PolarHBondContact O-N 3.36Å
147E95.9Very high95Very high0 Ų052 Ų520%027%0.267CS..Hα-helixtrans-56.2-49.8175.7-72.4-76.6-162.500112.5R32 Q80 V84 R143 V144 M151 C202 I203R32-E147 IonicContact CZ-OE1 2.69Å; R32-E147 IonicContact CZ-OE2 3.14Å; R32-E147 IonicContact NH1-OE1 3.69Å; R32-E147 PolarHBondContact NH1-OE1 3.07Å; R32-E147 IonicContact NH1-OE2 2.64Å; R32-E147 IonicContact NH2-OE1 3.57Å; R32-E147 PolarHBondContact NH2-OE1 3.49Å; R32-E147 IonicContact NH2-OE2 2.83Å; R32-E147 PolarHBondContact NH2-OE2 3.35Å; Q80-E147 PolarHBondContact NE2-OE2 3.28Å; V84-E147 HydrophobicContact CG1-CG 4.31Å; V84-E147 HydrophobicContact CG2-CG 3.77Å; R143-E147 WeakPolarHBondContact O-CB 3.31Å; R143-E147 WeakPolarHBondContact O-CG 3.29Å; R143-E147 PolarHBondContact O-N 2.73Å; V144-E147 PolarHBondContact O-N 2.96Å; E147-M151 VanDerWaalsContact O-CB 3.29Å; E147-M151 WeakPolarHBondContact O-CB 3.29Å; E147-M151 PolarHBondContact O-N 3.18Å; E147-C202 WeakPolarHBondContact OE1-CB 3.28Å; E147-I203 HydrophobicContact CB-CD1 3.96Å; E147-I203 HydrophobicContact CB-CG1 3.53Å; E147-I203 HydrophobicContact CG-CG1 4.24Å
148A96.9Very high95Very high40 Ų4052.4 Ų52.433%0.33127%0.268SS..Hα-helixtrans-66.5-40.7-179.500000111.9V144 V145 F146 M151 Y152V144-A148 WeakPolarHBondContact O-CB 3.15Å; V144-A148 PolarHBondContact O-N 3.12Å; V145-A148 PolarHBondContact O-N 3.12Å; F146-A148 PolarHBondContact O-N 3.42Å; A148-M151 PolarHBondContact O-N 2.69Å; A148-Y152 VanDerWaalsContact O-CB 3.29Å; A148-Y152 WeakPolarHBondContact O-CB 3.27Å; A148-Y152 PolarHBondContact O-N 2.94Å
149A97.4Very high94.9Very high46 Ų4655.8 Ų55.838%0.3828%0.282SS..Hα-helixtrans-64.6-47.3178.600000111.8V145 F146 Y152 V153V145-A149 WeakPolarHBondContact O-CB 3.2Å; V145-A149 PolarHBondContact O-N 2.97Å; F146-A149 PolarHBondContact O-N 3.41Å; A149-Y152 PolarHBondContact O-N 2.98Å; A149-V153 WeakPolarHBondContact O-CB 3.47Å; A149-V153 VanDerWaalsContact O-CG2 3.29Å; A149-V153 WeakPolarHBondContact O-CG2 3.15Å; A149-V153 PolarHBondContact O-N 3.3Å
150F96.8Very high94.7Very high29 Ų2956 Ų5613%0.12728%0.284CS..Hα-helixtrans-65.3-39.3176.9-85.2-80.1000112L76 L79 Q80 F83 F146 Y152 V153 F154L76-F150 HydrophobicContact CD1-CD1 3.84Å; L76-F150 HydrophobicContact CD1-CE1 3.89Å; L76-F150 HydrophobicContact CG-CD1 4.25Å; L79-F150 HydrophobicContact CB-CE1 3.78Å; L79-F150 HydrophobicContact CB-CZ 3.99Å; Q80-F150 HydrophobicContact CB-CB 3.95Å; Q80-F150 HydrophobicContact CB-CD1 3.82Å; Q80-F150 HydrophobicContact CB-CD2 4.06Å; Q80-F150 HydrophobicContact CB-CE1 4.34Å; Q80-F150 HydrophobicContact CB-CG 3.67Å; Q80-F150 HydrophobicContact CG-CB 3.67Å; Q80-F150 HydrophobicContact CG-CD1 4.47Å; Q80-F150 HydrophobicContact CG-CD2 4.12Å; Q80-F150 HydrophobicContact CG-CG 3.85Å; F83-F150 HydrophobicContact CB-CE2 3.66Å; F83-F150 HydrophobicContact CB-CZ 4.3Å; F83-F150 HydrophobicContact CD1-CE2 4.42Å; F83-F150 AromaticContact CD2-CE2 3.98Å; F83-F150 HydrophobicContact CD2-CE2 3.98Å; F83-F150 AromaticContact CD2-CZ 3.77Å; F83-F150 HydrophobicContact CD2-CZ 3.77Å; F83-F150 HydrophobicContact CE2-CZ 4.28Å; F83-F150 AromaticContact CG-CE2 3.77Å; F83-F150 HydrophobicContact CG-CE2 3.77Å; F83-F150 HydrophobicContact CG-CZ 4.05Å; F146-F150 VanDerWaalsContact O-CD2 3.27Å; F146-F150 WeakPolarHBondContact O-CD2 2.96Å; F146-F150 PolarHBondContact O-N 3.36Å; F150-Y152 VanDerWaalsContact C-N 3.34Å; F150-V153 PolarHBondContact O-N 3.18Å; F150-F154 VanDerWaalsContact O-CB 3.27Å; F150-F154 WeakPolarHBondContact O-CB 3.16Å; F150-F154 PolarHBondContact O-N 3.48Å
151M94.5Very high94.4Very high62 Ų6260 Ų6031%0.30530%0.302SS..Hα-helixtrans-62.8-41174.7-174.1175.870.800111.9E147 A148 F154 Y155 I203E147-M151 VanDerWaalsContact O-CB 3.29Å; E147-M151 WeakPolarHBondContact O-CB 3.29Å; E147-M151 PolarHBondContact O-N 3.18Å; A148-M151 PolarHBondContact O-N 2.69Å; M151-F154 PolarHBondContact O-N 3.44Å; M151-Y155 PolarHBondContact O-N 3.5Å; M151-I203 HydrophobicContact CE-CD1 3.95Å; M151-I203 HydrophobicContact SD-CD1 4.23Å
152Y95.6Very high94.1Very high160 Ų16058.2 Ų58.263%0.62730%0.303SS*.Hα-helixtrans-65.3-48.6175.7179-98.8000111.9A148 A149 F150 F154 Y155 V156A148-Y152 VanDerWaalsContact O-CB 3.29Å; A148-Y152 WeakPolarHBondContact O-CB 3.27Å; A148-Y152 PolarHBondContact O-N 2.94Å; A149-Y152 PolarHBondContact O-N 2.98Å; F150-Y152 VanDerWaalsContact C-N 3.34Å; Y152-F154 VanDerWaalsContact C-N 3.29Å; Y152-F154 PolarHBondContact O-N 2.92Å; Y152-Y155 PolarHBondContact O-N 2.87Å; Y152-V156 HydrophobicContact CD1-CG2 4.4Å; Y152-V156 HydrophobicContact CD2-CG2 4.4Å; Y152-V156 HydrophobicContact CE1-CG2 4Å; Y152-V156 HydrophobicContact CE2-CG2 3.99Å; Y152-V156 WeakPolarHBondContact O-CG2 3.29Å; Y152-V156 PolarHBondContact O-N 2.92Å
153V95.3Very high93.8Very high59 Ų5955 Ų5536%0.35829%0.289SS..Hα-helixtrans-57.9-43.9176169.80000110.6L76 A149 F150 Y155 V156 M157L76-V153 HydrophobicContact CD1-CG1 4.45Å; L76-V153 HydrophobicContact CD2-CG1 4.35Å; A149-V153 WeakPolarHBondContact O-CB 3.47Å; A149-V153 VanDerWaalsContact O-CG2 3.29Å; A149-V153 WeakPolarHBondContact O-CG2 3.15Å; A149-V153 PolarHBondContact O-N 3.3Å; F150-V153 PolarHBondContact O-N 3.18Å; V153-Y155 PolarHBondContact O-N 2.93Å; V153-V156 PolarHBondContact O-N 3.2Å; V153-M157 HydrophobicContact CG1-CE 4.02Å; V153-M157 WeakPolarHBondContact O-CB 3.01Å; V153-M157 PolarHBondContact O-N 3Å
154F94.7Very high93.5Very high6 Ų659.5 Ų59.53%0.02631%0.311CS..Hα-helixtrans-59-49.1177.4-169.3-75.3000111.5H73 L76 W77 F150 M151 Y152 V156 M157 Y158 F161 T192 I196H73-F154 HydrophobicContact CB-CE2 4.1Å; H73-F154 AromaticContact CE1-CZ 3.88Å; H73-F154 AromaticContact CG-CE2 3.91Å; H73-F154 AromaticContact CG-CZ 3.95Å; H73-F154 AromaticContact ND1-CZ 3.64Å; L76-F154 HydrophobicContact CD2-CB 4.18Å; L76-F154 HydrophobicContact CD2-CD2 3.85Å; L76-F154 HydrophobicContact CD2-CG 4.45Å; W77-F154 AromaticContact CE2-CE2 3.77Å; W77-F154 AromaticContact CZ2-CE2 3.93Å; W77-F154 HydrophobicContact CZ2-CE2 3.93Å; W77-F154 HydrophobicContact CZ2-CZ 4.11Å; W77-F154 AromaticContact NE1-CD2 3.54Å; W77-F154 AromaticContact NE1-CE2 3.21Å; F150-F154 VanDerWaalsContact O-CB 3.27Å; F150-F154 WeakPolarHBondContact O-CB 3.16Å; F150-F154 PolarHBondContact O-N 3.48Å; M151-F154 PolarHBondContact O-N 3.44Å; Y152-F154 VanDerWaalsContact C-N 3.29Å; Y152-F154 PolarHBondContact O-N 2.92Å; F154-V156 PolarHBondContact O-N 2.8Å; F154-M157 PolarHBondContact O-N 3.4Å; F154-Y158 AromaticContact CD1-CD2 3.92Å; F154-Y158 HydrophobicContact CD1-CD2 3.92Å; F154-Y158 AromaticContact CD2-CD2 3.87Å; F154-Y158 HydrophobicContact CD2-CD2 3.87Å; F154-Y158 AromaticContact CD2-CE2 3.67Å; F154-Y158 HydrophobicContact CD2-CE2 3.67Å; F154-Y158 AromaticContact CE1-CD2 3.84Å; F154-Y158 HydrophobicContact CE1-CD2 3.84Å; F154-Y158 AromaticContact CE2-CD2 3.78Å; F154-Y158 HydrophobicContact CE2-CD2 3.78Å; F154-Y158 AromaticContact CE2-CE2 3.63Å; F154-Y158 HydrophobicContact CE2-CE2 3.63Å; F154-Y158 AromaticContact CG-CD2 3.9Å; F154-Y158 HydrophobicContact CG-CD2 3.9Å; F154-Y158 HydrophobicContact CG-CE2 4.11Å; F154-Y158 AromaticContact CZ-CD2 3.74Å; F154-Y158 HydrophobicContact CZ-CD2 3.74Å; F154-Y158 HydrophobicContact CZ-CE2 4.06Å; F154-Y158 VanDerWaalsContact O-CD2 3.26Å; F154-Y158 WeakPolarHBondContact O-CD2 3.28Å; F154-Y158 PolarHBondContact O-N 2.93Å; F154-F161 HydrophobicContact CD1-CD1 4.43Å; F154-T192 HydrophobicContact CE1-CG2 3.36Å; F154-T192 HydrophobicContact CE2-CG2 4.45Å; F154-T192 HydrophobicContact CZ-CG2 3.32Å; F154-I196 HydrophobicContact CE1-CD1 4.35Å
155Y93.7Very high93.3Very high122 Ų12267.5 Ų67.548%0.47834%0.338SS..Hα-helixtrans-61.8-42.2-179-178.3-99.2000112.7M151 Y152 V153 G160 F161M151-Y155 PolarHBondContact O-N 3.5Å; Y152-Y155 PolarHBondContact O-N 2.87Å; V153-Y155 PolarHBondContact O-N 2.93Å; Y155-G160 PolarHBondContact O-N 3.34Å; Y155-F161 AromaticContact CD2-CD1 3.94Å; Y155-F161 HydrophobicContact CD2-CD1 3.94Å; Y155-F161 AromaticContact CD2-CD2 3.93Å; Y155-F161 HydrophobicContact CD2-CD2 3.93Å; Y155-F161 AromaticContact CD2-CE1 3.58Å; Y155-F161 HydrophobicContact CD2-CE1 3.58Å; Y155-F161 AromaticContact CD2-CE2 3.51Å; Y155-F161 HydrophobicContact CD2-CE2 3.51Å; Y155-F161 HydrophobicContact CD2-CG 4.16Å; Y155-F161 AromaticContact CD2-CZ 3.35Å; Y155-F161 HydrophobicContact CD2-CZ 3.35Å; Y155-F161 HydrophobicContact CE2-CD2 4.03Å; Y155-F161 AromaticContact CE2-CE2 3.71Å; Y155-F161 HydrophobicContact CE2-CE2 3.71Å; Y155-F161 HydrophobicContact CE2-CZ 4.03Å; Y155-F161 HydrophobicContact CG-CE1 4.25Å; Y155-F161 HydrophobicContact CG-CZ 4.14Å
156V93.8Very high93.2Very high80 Ų8067.4 Ų67.449%0.48534%0.335SS..Hα-helixtrans-75.3-37.9-179175.30000111.9Y152 V153 F154Y152-V156 HydrophobicContact CD1-CG2 4.4Å; Y152-V156 HydrophobicContact CD2-CG2 4.4Å; Y152-V156 HydrophobicContact CE1-CG2 4Å; Y152-V156 HydrophobicContact CE2-CG2 3.99Å; Y152-V156 WeakPolarHBondContact O-CG2 3.29Å; Y152-V156 PolarHBondContact O-N 2.92Å; V153-V156 PolarHBondContact O-N 3.2Å; F154-V156 PolarHBondContact O-N 2.8Å
157M92.5Very high93Very high66 Ų6665.1 Ų65.133%0.32533%0.326SS..Hα-helixtrans-74-32.4-175-175.6173.4-71.500113.3P70 I71 V153 F154P70-M157 HydrophobicContact CG-CG 4.23Å; P70-M157 HydrophobicContact CG-SD 4.03Å; I71-M157 HydrophobicContact CB-SD 4.44Å; V153-M157 HydrophobicContact CG1-CE 4.02Å; V153-M157 WeakPolarHBondContact O-CB 3.01Å; V153-M157 PolarHBondContact O-N 3Å; F154-M157 PolarHBondContact O-N 3.4Å
158Y91.3Very high93Very high22 Ų2271.5 Ų71.59%0.08635%0.353CS..THydrogen-bonded Turntrans-111.123-175-54.1-65.2000113.5I71 H73 L76 F154 G160I71-Y158 PolarHBondContact O-OH 3.43Å; H73-Y158 AromaticContact CD2-CD1 3.69Å; H73-Y158 AromaticContact CD2-CD2 3.89Å; H73-Y158 AromaticContact CD2-CE1 3.31Å; H73-Y158 WeakPolarHBondContact CD2-CE1 3.48Å; H73-Y158 AromaticContact CD2-CE2 3.53Å; H73-Y158 AromaticContact CD2-CG 3.96Å; H73-Y158 AromaticContact CD2-CZ 3.21Å; H73-Y158 AromaticContact NE2-CD1 3.29Å; H73-Y158 VanDerWaalsContact NE2-CD1 3.29Å; H73-Y158 WeakPolarHBondContact NE2-CD1 3.1Å; H73-Y158 AromaticContact NE2-CD2 3.76Å; H73-Y158 AromaticContact NE2-CE1 3.45Å; H73-Y158 WeakPolarHBondContact NE2-CE1 3.37Å; H73-Y158 AromaticContact NE2-CE2 3.9Å; H73-Y158 AromaticContact NE2-CG 3.45Å; H73-Y158 AromaticContact NE2-CZ 3.75Å; L76-Y158 HydrophobicContact CD2-CE2 3.81Å; F154-Y158 AromaticContact CD1-CD2 3.92Å; F154-Y158 HydrophobicContact CD1-CD2 3.92Å; F154-Y158 AromaticContact CD2-CD2 3.87Å; F154-Y158 HydrophobicContact CD2-CD2 3.87Å; F154-Y158 AromaticContact CD2-CE2 3.67Å; F154-Y158 HydrophobicContact CD2-CE2 3.67Å; F154-Y158 AromaticContact CE1-CD2 3.84Å; F154-Y158 HydrophobicContact CE1-CD2 3.84Å; F154-Y158 AromaticContact CE2-CD2 3.78Å; F154-Y158 HydrophobicContact CE2-CD2 3.78Å; F154-Y158 AromaticContact CE2-CE2 3.63Å; F154-Y158 HydrophobicContact CE2-CE2 3.63Å; F154-Y158 AromaticContact CG-CD2 3.9Å; F154-Y158 HydrophobicContact CG-CD2 3.9Å; F154-Y158 HydrophobicContact CG-CE2 4.11Å; F154-Y158 AromaticContact CZ-CD2 3.74Å; F154-Y158 HydrophobicContact CZ-CD2 3.74Å; F154-Y158 HydrophobicContact CZ-CE2 4.06Å; F154-Y158 VanDerWaalsContact O-CD2 3.26Å; F154-Y158 WeakPolarHBondContact O-CD2 3.28Å; F154-Y158 PolarHBondContact O-N 2.93Å; Y158-G160 PolarHBondContact O-N 3.44Å
159D89.1Confident93Very high126 Ų12669.6 Ų69.667%0.67434%0.338SS*.THydrogen-bonded Turntrans4944.1179.4-67-42000113.1
160G90.1Very high93Very high10 Ų1072.8 Ų72.810%0.10335%0.348CS..SBendtrans115.1-151.3178.900000114.4Y155 Y158Y155-G160 PolarHBondContact O-N 3.34Å; Y158-G160 PolarHBondContact O-N 3.44Å
161F87.4Confident92.9Very high84 Ų8472.1 Ų72.137%0.36835%0.349SS..SBendtrans-111.13.2-173.5-59.7-53.1000113.8F154 Y155 I196F154-F161 HydrophobicContact CD1-CD1 4.43Å; Y155-F161 AromaticContact CD2-CD1 3.94Å; Y155-F161 HydrophobicContact CD2-CD1 3.94Å; Y155-F161 AromaticContact CD2-CD2 3.93Å; Y155-F161 HydrophobicContact CD2-CD2 3.93Å; Y155-F161 AromaticContact CD2-CE1 3.58Å; Y155-F161 HydrophobicContact CD2-CE1 3.58Å; Y155-F161 AromaticContact CD2-CE2 3.51Å; Y155-F161 HydrophobicContact CD2-CE2 3.51Å; Y155-F161 HydrophobicContact CD2-CG 4.16Å; Y155-F161 AromaticContact CD2-CZ 3.35Å; Y155-F161 HydrophobicContact CD2-CZ 3.35Å; Y155-F161 HydrophobicContact CE2-CD2 4.03Å; Y155-F161 AromaticContact CE2-CE2 3.71Å; Y155-F161 HydrophobicContact CE2-CE2 3.71Å; Y155-F161 HydrophobicContact CE2-CZ 4.03Å; Y155-F161 HydrophobicContact CG-CE1 4.25Å; Y155-F161 HydrophobicContact CG-CZ 4.14Å; F161-I196 HydrophobicContact CB-CD1 3.88Å; F161-I196 HydrophobicContact CD1-CD1 3.15Å; F161-I196 HydrophobicContact CD1-CG1 4.1Å; F161-I196 HydrophobicContact CE1-CD1 3.76Å; F161-I196 HydrophobicContact CE1-CG1 4.23Å; F161-I196 HydrophobicContact CE1-CG2 4.2Å; F161-I196 HydrophobicContact CG-CD1 3.74Å; F161-I196 HydrophobicContact CZ-CG2 4.49Å
162S88.9Confident93Very high72 Ų7280 Ų8050%0.50338%0.375SS..SBendtrans-121.3135.4-176.560.10000111.2Q164S162-Q164 PolarHBondContact O-N 2.86Å
163M88.3Confident93Very high26 Ų2673.8 Ų73.813%0.12835%0.354CS..  trans-80.5117.7176.2-159.363.7-109.500109.5F69 V182 P185 K188 T189F69-M163 HydrophobicContact CE1-CE 3.27Å; F69-M163 HydrophobicContact CE1-SD 3.66Å; F69-M163 HydrophobicContact CZ-CE 3.28Å; F69-M163 HydrophobicContact CZ-SD 4.14Å; M163-V182 HydrophobicContact CE-CG1 4.2Å; M163-V182 HydrophobicContact CE-CG2 4.13Å; M163-V182 HydrophobicContact CG-CG1 3.97Å; M163-V182 HydrophobicContact SD-CG1 4.46Å; M163-P185 HydrophobicContact CB-CB 4.15Å; M163-P185 WeakPolarHBondContact CB-O 3.41Å; M163-P185 HydrophobicContact CG-CB 4.06Å; M163-K188 HydrophobicContact CB-CB 4.36Å; M163-K188 HydrophobicContact CG-CB 4.24Å; M163-K188 HydrophobicContact CG-CD 4.43Å; M163-T189 VanDerWaalsContact CB-OG1 3.31Å; M163-T189 WeakPolarHBondContact CB-OG1 3.26Å; M163-T189 PolarHBondContact N-OG1 3.43Å
164Q90.2Very high93Very high102 Ų10271.7 Ų71.748%0.47734%0.342SS..  trans-68.5143.3175-61.4-178.112.500110.5S162S162-Q164 PolarHBondContact O-N 2.86Å
165R92.4Very high93Very high195 Ų19574.5 Ų74.574%0.73636%0.361SS*.SBendtrans-71.6-34.2177.6-68.4-172.9-87.3174-4.7112.4F181 V182 P185R165-F181 WeakPolarHBondContact O-CA 3.27Å; R165-V182 PolarHBondContact O-N 3.03Å; R165-V182 VanDerWaalsContact O-N 3.15Å; R165-P185 HydrophobicContact CB-CG 4.2Å; R165-P185 HydrophobicContact CG-CB 4.2Å; R165-P185 HydrophobicContact CG-CG 3.57Å
166L94.3Very high93.1Very high56 Ų5675.1 Ų75.129%0.29337%0.372SS..EExtended strand (participates in β ladder)trans-130.5136-177.6174.8150000108.4K168 D179 C180 F181L166-K168 HydrophobicContact CD2-CG 3.75Å; L166-D179 HydrophobicContact CD1-CB 3.89Å; L166-D179 HydrophobicContact CG-CB 4.36Å; L166-C180 CarbonylContact C-O 3.59Å; L166-C180 VanDerWaalsContact CA-O 3.3Å; L166-C180 WeakPolarHBondContact CA-O 3.3Å; L166-F181 HydrophobicContact CB-CD1 4.44Å; L166-F181 HydrophobicContact CB-CE1 4.41Å; L166-F181 HydrophobicContact CD1-CD1 4.47Å; L166-F181 HydrophobicContact CD1-CE1 3.74Å; L166-F181 HydrophobicContact CD1-CZ 3.85Å; L166-F181 HydrophobicContact CG-CE1 4.49Å
167V94.7Very high93.2Very high5 Ų575 Ų753%0.0337%0.372CS..EExtended strand (participates in β ladder)trans-121.8140.2172.4-61.70000109.2F51 Y68 C180 V182F51-V167 HydrophobicContact CE2-CG2 4.1Å; F51-V167 HydrophobicContact CZ-CG2 4.1Å; Y68-V167 HydrophobicContact CD1-CB 3.92Å; Y68-V167 HydrophobicContact CD1-CG1 3.87Å; Y68-V167 HydrophobicContact CD1-CG2 4.36Å; Y68-V167 HydrophobicContact CD2-CB 4.06Å; Y68-V167 HydrophobicContact CD2-CG2 3.74Å; Y68-V167 HydrophobicContact CE1-CB 3.72Å; Y68-V167 HydrophobicContact CE1-CG1 3.99Å; Y68-V167 HydrophobicContact CE1-CG2 4.46Å; Y68-V167 HydrophobicContact CE2-CB 3.85Å; Y68-V167 HydrophobicContact CE2-CG2 3.85Å; Y68-V167 HydrophobicContact CG-CB 4.09Å; Y68-V167 HydrophobicContact CG-CG1 4.26Å; Y68-V167 HydrophobicContact CG-CG2 4.01Å; V167-C180 HydrophobicContact CG2-CB 3.8Å; V167-C180 PolarHBondContact N-O 3.33Å; V167-C180 PolarHBondContact O-N 3.49Å; V167-V182 HydrophobicContact CG1-CG2 4.31Å
168K96.1Very high93.4Very high133 Ų13372.2 Ų72.258%0.57836%0.359SS*.EExtended strand (participates in β ladder)trans-101.893-175.6-74.7-164.4172.8-173.90110.9Y68 L166 T177Y68-K168 VanDerWaalsContact OH-C 3.25Å; Y68-K168 PolarHBondContact OH-N 2.85Å; Y68-K168 PolarHBondContact OH-O 2.88Å; L166-K168 HydrophobicContact CD2-CG 3.75Å; K168-T177 HydrophobicContact CB-CG2 3.71Å; K168-T177 HydrophobicContact CD-CG2 4.4Å; K168-T177 HydrophobicContact CG-CG2 4.36Å
169C96.6Very high93.7Very high0 Ų073.8 Ų73.80%037%0.369CS..EExtended strand (participates in β ladder)trans-88.6130-171.7-178.90000112.5C64 Y68 T177 V178C64-C169 WeakPolarHBondContact CA-SG 3.45Å; C64-C169 HydrophobicContact CB-CB 3.71Å; C64-C169 WeakPolarHBondContact CB-SG 3.33Å; C64-C169 WeakPolarHBondContact SG-CB 3.39Å; C64-C169 CovalentContact SG-SG 2.02Å; C64-C169 PolarHBondContact SG-SG 2.97Å; Y68-C169 HydrophobicContact CE2-CB 3.88Å; C169-T177 CarbonylContact O-C 3.56Å; C169-T177 WeakPolarHBondContact O-CA 3.32Å; C169-V178 HydrophobicContact CB-CG2 3.97Å; C169-V178 PolarHBondContact N-O 3.46Å; C169-V178 PolarHBondContact O-N 3.16Å
170N96.5Very high94.1Very high113 Ų11367.8 Ų67.860%0.60434%0.337SS*.  trans-121.626.4174.2-166.923000112N176N170-N176 VanDerWaalsContact OD1-C 3.3Å; N170-N176 PolarHBondContact OD1-O 3.07Å; N170-N176 VanDerWaalsContact OD1-O 3.08Å
171A95.5Very high94.4Very high16 Ų1672 Ų7213%0.13235%0.352CS..  trans-79.5141.6-177.900000111.2V63 C174V63-A171 HydrophobicContact CB-CB 4.5Å; V63-A171 HydrophobicContact CG1-CB 3.65Å; A171-C174 WeakPolarHBondContact O-CB 3.48Å; A171-C174 PolarHBondContact O-N 3.09Å; A171-C174 PolarHBondContact O-SG 3.23Å
172W95.2Very high94.7Very high227 Ų22768.6 Ų68.686%0.8634%0.338SS*.THydrogen-bonded Turntrans-64.3131.7172.7179.887.6000109.8V63V63-W172 WeakPolarHBondContact CG1-O 3.48Å
173P95.9Very high94.9Very high30 Ų3065.8 Ų65.820%0.19532%0.318CS..THydrogen-bonded Turncis-10022.119.339.3-38.3000115.7Q57Q57-P173 VanDerWaalsContact CG-O 3.26Å; Q57-P173 WeakPolarHBondContact CG-O 3.44Å
174C95.8Very high95.1Very high15 Ų1569.5 Ų69.510%0.10133%0.331CS..SBendtrans-66.1140.9-175.1-570000113.3C60 C64 A171 N176 V178C60-C174 VanDerWaalsContact CA-SG 3.52Å; C60-C174 HydrophobicContact CB-CB 4.08Å; C60-C174 WeakPolarHBondContact CB-SG 3.47Å; C60-C174 WeakPolarHBondContact SG-CB 3.25Å; C60-C174 CovalentContact SG-SG 2.03Å; C60-C174 PolarHBondContact SG-SG 3.3Å; C64-C174 PolarHBondContact SG-SG 3.46Å; A171-C174 WeakPolarHBondContact O-CB 3.48Å; A171-C174 PolarHBondContact O-N 3.09Å; A171-C174 PolarHBondContact O-SG 3.23Å; C174-N176 PolarHBondContact O-N 3.46Å; C174-V178 HydrophobicContact CB-CG1 4.21Å; C174-V178 HydrophobicContact CB-CG2 4.18Å
175P95Very high95.3Very high65 Ų6565.5 Ų65.542%0.42231%0.314SS..SBendtrans-75.8105.8174.330.2-32.5000109.8Q57 V178Q57-P175 HydrophobicContact CB-CG 4.34Å; P175-V178 HydrophobicContact CG-CG1 4.24Å
176N94.8Very high95.4Very high134 Ų13461 Ų6172%0.71731%0.309SS*.SBendtrans54.8-144.7-175.3-51.4-58.3000111.5N170 C174N170-N176 VanDerWaalsContact OD1-C 3.3Å; N170-N176 PolarHBondContact OD1-O 3.07Å; N170-N176 VanDerWaalsContact OD1-O 3.08Å; C174-N176 PolarHBondContact O-N 3.46Å
177T96.9Very high95.3Very high77 Ų7761.5 Ų61.547%0.47231%0.309SS..SBendtrans-88.3119.6175.1-52.90000110.4K168 C169K168-T177 HydrophobicContact CB-CG2 3.71Å; K168-T177 HydrophobicContact CD-CG2 4.4Å; K168-T177 HydrophobicContact CG-CG2 4.36Å; C169-T177 CarbonylContact O-C 3.56Å; C169-T177 WeakPolarHBondContact O-CA 3.32Å
178V96.9Very high95.3Very high9 Ų961.5 Ų61.56%0.05531%0.309CS..EExtended strand (participates in β ladder)trans-105.9147175-58.50000110.7C169 C174 P175C169-V178 HydrophobicContact CB-CG2 3.97Å; C169-V178 PolarHBondContact N-O 3.46Å; C169-V178 PolarHBondContact O-N 3.16Å; C174-V178 HydrophobicContact CB-CG1 4.21Å; C174-V178 HydrophobicContact CB-CG2 4.18Å; P175-V178 HydrophobicContact CG-CG1 4.24Å
179D97.4Very high95.1Very high55 Ų5556.6 Ų56.629%0.29429%0.29SS..EExtended strand (participates in β ladder)trans-86.7124.3174.3-69.6-26.1000109.8C53 N54 L166 F181C53-D179 CarbonylContact C-O 3.59Å; C53-D179 WeakPolarHBondContact CA-O 3.4Å; N54-D179 PolarHBondContact N-O 2.81Å; L166-D179 HydrophobicContact CD1-CB 3.89Å; L166-D179 HydrophobicContact CG-CB 4.36Å; D179-F181 HydrophobicContact CB-CE2 4.35Å
180C97.1Very high94.9Very high0 Ų060.3 Ų60.30%031%0.313CS..EExtended strand (participates in β ladder)trans-117.9140.5173.3-560000111.1F51 V52 C53 L166 V167F51-C180 HydrophobicContact CE1-CB 3.95Å; F51-C180 HydrophobicContact CE2-CB 3.83Å; F51-C180 HydrophobicContact CZ-CB 3.36Å; V52-C180 CarbonylContact O-C 3.57Å; V52-C180 VanDerWaalsContact O-CA 3.28Å; V52-C180 WeakPolarHBondContact O-CA 3.35Å; C53-C180 HydrophobicContact CB-CB 4.07Å; C53-C180 WeakPolarHBondContact CB-SG 3.33Å; C53-C180 WeakPolarHBondContact SG-CB 3.31Å; C53-C180 CovalentContact SG-SG 2.05Å; C53-C180 PolarHBondContact SG-SG 2.92Å; L166-C180 CarbonylContact C-O 3.59Å; L166-C180 VanDerWaalsContact CA-O 3.3Å; L166-C180 WeakPolarHBondContact CA-O 3.3Å; V167-C180 HydrophobicContact CG2-CB 3.8Å; V167-C180 PolarHBondContact N-O 3.33Å; V167-C180 PolarHBondContact O-N 3.49Å
181F96.5Very high94.7Very high98 Ų9857 Ų5743%0.4329%0.293SS..EExtended strand (participates in β ladder)trans-110.2128.4-175.2-61.6-90.5000110.1F51 V52 R165 L166 D179F51-F181 WeakPolarHBondContact CD2-O 3.41Å; V52-F181 PolarHBondContact N-O 3.3Å; V52-F181 PolarHBondContact O-N 2.87Å; R165-F181 WeakPolarHBondContact O-CA 3.27Å; L166-F181 HydrophobicContact CB-CD1 4.44Å; L166-F181 HydrophobicContact CB-CE1 4.41Å; L166-F181 HydrophobicContact CD1-CD1 4.47Å; L166-F181 HydrophobicContact CD1-CE1 3.74Å; L166-F181 HydrophobicContact CD1-CZ 3.85Å; L166-F181 HydrophobicContact CG-CE1 4.49Å; D179-F181 HydrophobicContact CB-CE2 4.35Å
182V94.3Very high94.6Very high12 Ų1256.3 Ų56.37%0.07329%0.287CS..  trans-86.5137.4-179.1-178.60000109.5F51 F69 M163 R165 V167 P185F51-V182 HydrophobicContact CD2-CG2 4.4Å; F51-V182 HydrophobicContact CE2-CG2 4.14Å; F69-V182 HydrophobicContact CE2-CG2 4.08Å; F69-V182 HydrophobicContact CZ-CG1 4.06Å; F69-V182 HydrophobicContact CZ-CG2 3.76Å; M163-V182 HydrophobicContact CE-CG1 4.2Å; M163-V182 HydrophobicContact CE-CG2 4.13Å; M163-V182 HydrophobicContact CG-CG1 3.97Å; M163-V182 HydrophobicContact SD-CG1 4.46Å; R165-V182 PolarHBondContact O-N 3.03Å; R165-V182 VanDerWaalsContact O-N 3.15Å; V167-V182 HydrophobicContact CG1-CG2 4.31Å; V182-P185 WeakPolarHBondContact O-CD 3.43Å
183S93.2Very high94.5Very high13 Ų1349.4 Ų49.49%0.09127%0.27CS..SBendtrans-71134.3175.764.90000112.1D50 K188D50-S183 VanDerWaalsContact CB-CB 3.42Å; S183-K188 WeakPolarHBondContact O-CD 3.29Å; S183-K188 VanDerWaalsContact O-CE 3.26Å; S183-K188 WeakPolarHBondContact O-CE 3.49Å; S183-K188 PolarHBondContact O-NZ 3.31Å; S183-K188 PolarHBondContact OG-NZ 3.1Å
184R92.9Very high94.3Very high105 Ų10553.9 Ų53.940%0.39629%0.286SS..SBendtrans43.353.2175.8-47.4-169.8-166.11738114.8E42 T186 E187 K188E42-R184 PolarHBondContact O-NH1 3.43Å; R184-T186 VanDerWaalsContact C-N 3.33Å; R184-T186 PolarHBondContact O-N 3.33Å; R184-E187 HydrophobicContact CB-CB 4.11Å; R184-E187 WeakPolarHBondContact CD-OE2 3.2Å; R184-E187 IonicContact NH1-OE2 3.54Å; R184-E187 PolarHBondContact O-N 2.92Å; R184-K188 WeakPolarHBondContact O-CG 3.42Å; R184-K188 PolarHBondContact O-N 3.28Å
185P93.7Very high94.1Very high17 Ų1753.3 Ų53.311%0.1128%0.282CS..Hα-helixtrans-66.6-33.5-171.126-32.7000112.6M163 R165 V182 T189M163-P185 HydrophobicContact CB-CB 4.15Å; M163-P185 WeakPolarHBondContact CB-O 3.41Å; M163-P185 HydrophobicContact CG-CB 4.06Å; R165-P185 HydrophobicContact CB-CG 4.2Å; R165-P185 HydrophobicContact CG-CB 4.2Å; R165-P185 HydrophobicContact CG-CG 3.57Å; V182-P185 WeakPolarHBondContact O-CD 3.43Å; P185-T189 WeakPolarHBondContact O-CB 3.23Å; P185-T189 PolarHBondContact O-N 3.27Å; P185-T189 PolarHBondContact O-OG1 3.22Å
186T93.9Very high94Very high102 Ų10251.7 Ų51.763%0.62627%0.269SS*.Hα-helixtrans-65.9-47.2175.747.60000111.4R184 T189 V190R184-T186 VanDerWaalsContact C-N 3.33Å; R184-T186 PolarHBondContact O-N 3.33Å; T186-T189 WeakPolarHBondContact O-CB 3.06Å; T186-T189 PolarHBondContact O-N 2.72Å; T186-V190 WeakPolarHBondContact O-CG2 3.38Å; T186-V190 PolarHBondContact O-N 2.89Å
187E92.7Very high93.9Very high65 Ų6547.8 Ų47.830%0.30426%0.256SS..Hα-helixtrans-62-47.9176.6-171.4174.7-16700111.3V43 R184 T189 V190 F191V43-E187 HydrophobicContact CG1-CB 4.4Å; V43-E187 HydrophobicContact CG1-CG 3.9Å; V43-E187 HydrophobicContact CG2-CG 3.98Å; V43-E187 VanDerWaalsContact CG2-OE1 3.28Å; V43-E187 WeakPolarHBondContact CG2-OE1 3.29Å; R184-E187 HydrophobicContact CB-CB 4.11Å; R184-E187 WeakPolarHBondContact CD-OE2 3.2Å; R184-E187 IonicContact NH1-OE2 3.54Å; R184-E187 PolarHBondContact O-N 2.92Å; E187-T189 VanDerWaalsContact C-N 3.25Å; E187-T189 PolarHBondContact O-N 2.94Å; E187-V190 PolarHBondContact O-N 3.16Å; E187-V190 VanDerWaalsContact O-N 3.12Å; E187-F191 HydrophobicContact CG-CD2 3.99Å; E187-F191 HydrophobicContact CG-CE2 3.86Å; E187-F191 WeakPolarHBondContact O-CD2 3.31Å; E187-F191 PolarHBondContact O-N 2.86Å
188K93.7Very high93.7Very high6 Ų644.7 Ų44.73%0.02624%0.237CC..Hα-helixtrans-56.6-39.5174-73.6178.5178.4161.90112.3V43 W44 M163 S183 R184 T192V43-K188 HydrophobicContact CG1-CG 3.66Å; V43-K188 WeakPolarHBondContact O-CE 3.19Å; W44-K188 HydrophobicContact CD2-CG 4.42Å; W44-K188 HydrophobicContact CH2-CB 4.14Å; W44-K188 HydrophobicContact CH2-CG 4.11Å; W44-K188 HydrophobicContact CZ2-CB 3.83Å; W44-K188 HydrophobicContact CZ2-CD 4.43Å; W44-K188 HydrophobicContact CZ2-CG 3.73Å; M163-K188 HydrophobicContact CB-CB 4.36Å; M163-K188 HydrophobicContact CG-CB 4.24Å; M163-K188 HydrophobicContact CG-CD 4.43Å; S183-K188 WeakPolarHBondContact O-CD 3.29Å; S183-K188 VanDerWaalsContact O-CE 3.26Å; S183-K188 WeakPolarHBondContact O-CE 3.49Å; S183-K188 PolarHBondContact O-NZ 3.31Å; S183-K188 PolarHBondContact OG-NZ 3.1Å; R184-K188 WeakPolarHBondContact O-CG 3.42Å; R184-K188 PolarHBondContact O-N 3.28Å; K188-T192 VanDerWaalsContact O-CB 3.25Å; K188-T192 WeakPolarHBondContact O-CB 3.38Å; K188-T192 PolarHBondContact O-N 2.94Å; K188-T192 PolarHBondContact O-OG1 2.68Å
189T93.4Very high93.6Very high30 Ų3044.5 Ų44.518%0.18424%0.236CC..Hα-helixtrans-65.8-44.4176.6-60.10000111.4M163 P185 T186 E187 F191 T192 V193M163-T189 VanDerWaalsContact CB-OG1 3.31Å; M163-T189 WeakPolarHBondContact CB-OG1 3.26Å; M163-T189 PolarHBondContact N-OG1 3.43Å; P185-T189 WeakPolarHBondContact O-CB 3.23Å; P185-T189 PolarHBondContact O-N 3.27Å; P185-T189 PolarHBondContact O-OG1 3.22Å; T186-T189 WeakPolarHBondContact O-CB 3.06Å; T186-T189 PolarHBondContact O-N 2.72Å; E187-T189 VanDerWaalsContact C-N 3.25Å; E187-T189 PolarHBondContact O-N 2.94Å; T189-F191 PolarHBondContact O-N 3.35Å; T189-T192 WeakPolarHBondContact O-CB 3.45Å; T189-T192 PolarHBondContact O-N 2.95Å; T189-V193 HydrophobicContact CG2-CG2 4.3Å; T189-V193 WeakPolarHBondContact O-CG2 3.45Å; T189-V193 PolarHBondContact O-N 3.45Å
190V92.7Very high93.4Very high78 Ų7843 Ų4347%0.47323%0.234SC..Hα-helixtrans-57.8-52.21781700000110.6T186 E187 T192 V193 F194T186-V190 WeakPolarHBondContact O-CG2 3.38Å; T186-V190 PolarHBondContact O-N 2.89Å; E187-V190 PolarHBondContact O-N 3.16Å; E187-V190 VanDerWaalsContact O-N 3.12Å; V190-T192 VanDerWaalsContact C-N 3.28Å; V190-T192 PolarHBondContact O-N 2.92Å; V190-V193 PolarHBondContact O-N 3.4Å; V190-F194 HydrophobicContact CG1-CD2 3.77Å; V190-F194 HydrophobicContact CG1-CE2 3.6Å; V190-F194 WeakPolarHBondContact O-CD2 3.26Å; V190-F194 PolarHBondContact O-N 3.23Å
191F92.3Very high93.3Very high43 Ų4347.2 Ų47.219%0.18926%0.256CS..Hα-helixtrans-60.8-37.7176.8-82.6-75.3000112.7I35 A39 V43 W44 W77 E187 T189 F194 M195I35-F191 HydrophobicContact CG2-CD1 3.85Å; I35-F191 HydrophobicContact CG2-CE1 4.4Å; A39-F191 HydrophobicContact CB-CD1 4.02Å; A39-F191 HydrophobicContact CB-CE1 4.17Å; A39-F191 HydrophobicContact CB-CG 4.38Å; V43-F191 HydrophobicContact CG1-CD2 4.33Å; V43-F191 HydrophobicContact CG2-CD2 3.95Å; V43-F191 HydrophobicContact CG2-CE2 3.55Å; V43-F191 HydrophobicContact CG2-CZ 4.22Å; W44-F191 HydrophobicContact CH2-CB 3.6Å; W44-F191 HydrophobicContact CH2-CG 4.4Å; W44-F191 HydrophobicContact CZ3-CB 3.76Å; W44-F191 HydrophobicContact CZ3-CD2 4.29Å; W44-F191 HydrophobicContact CZ3-CG 4.09Å; W77-F191 HydrophobicContact CH2-CB 4.37Å; E187-F191 HydrophobicContact CG-CD2 3.99Å; E187-F191 HydrophobicContact CG-CE2 3.86Å; E187-F191 WeakPolarHBondContact O-CD2 3.31Å; E187-F191 PolarHBondContact O-N 2.86Å; T189-F191 PolarHBondContact O-N 3.35Å; F191-F194 PolarHBondContact O-N 3.04Å; F191-M195 WeakPolarHBondContact O-CG 3.11Å; F191-M195 PolarHBondContact O-N 2.87Å
192T92.6Very high93.2Very high2 Ų242.6 Ų42.61%0.01224%0.235CC..Hα-helixtrans-62.4-48.3176.1-62.70000111.7H73 W77 F154 K188 T189 V190 F194 M195 I196H73-T192 PolarHBondContact ND1-OG1 3.45Å; W77-T192 HydrophobicContact CZ2-CG2 4.22Å; W77-T192 WeakPolarHBondContact CZ2-OG1 3.38Å; F154-T192 HydrophobicContact CE1-CG2 3.36Å; F154-T192 HydrophobicContact CE2-CG2 4.45Å; F154-T192 HydrophobicContact CZ-CG2 3.32Å; K188-T192 VanDerWaalsContact O-CB 3.25Å; K188-T192 WeakPolarHBondContact O-CB 3.38Å; K188-T192 PolarHBondContact O-N 2.94Å; K188-T192 PolarHBondContact O-OG1 2.68Å; T189-T192 WeakPolarHBondContact O-CB 3.45Å; T189-T192 PolarHBondContact O-N 2.95Å; V190-T192 VanDerWaalsContact C-N 3.28Å; V190-T192 PolarHBondContact O-N 2.92Å; T192-F194 VanDerWaalsContact C-N 3.34Å; T192-F194 PolarHBondContact O-N 3.5Å; T192-M195 PolarHBondContact O-N 3.31Å; T192-I196 HydrophobicContact CG2-CD1 3.54Å; T192-I196 HydrophobicContact CG2-CG1 4.45Å; T192-I196 VanDerWaalsContact O-CD1 3.31Å; T192-I196 WeakPolarHBondContact O-CD1 3.33Å; T192-I196 VanDerWaalsContact O-CG1 3.29Å; T192-I196 WeakPolarHBondContact O-CG1 3.44Å; T192-I196 PolarHBondContact O-N 3.37Å
193V92.6Very high93.2Very high81 Ų8143.4 Ų43.449%0.49124%0.239SC..Hα-helixtrans-59.5-43.9176.7171.30000111.1T189 V190 M195 I196 A197T189-V193 HydrophobicContact CG2-CG2 4.3Å; T189-V193 WeakPolarHBondContact O-CG2 3.45Å; T189-V193 PolarHBondContact O-N 3.45Å; V190-V193 PolarHBondContact O-N 3.4Å; V193-M195 PolarHBondContact O-N 2.91Å; V193-I196 PolarHBondContact O-N 2.87Å; V193-A197 WeakPolarHBondContact O-CB 3.15Å; V193-A197 PolarHBondContact O-N 3.34Å
194F91.5Very high93.3Very high125 Ų12548.3 Ų48.355%0.54826%0.264SS..Hα-helixtrans-59.3-46.4175.1-84.3-68.5000112.1I35 V190 F191 T192 I196 A197 V198I35-F194 HydrophobicContact CD1-CB 4.27Å; V190-F194 HydrophobicContact CG1-CD2 3.77Å; V190-F194 HydrophobicContact CG1-CE2 3.6Å; V190-F194 WeakPolarHBondContact O-CD2 3.26Å; V190-F194 PolarHBondContact O-N 3.23Å; F191-F194 PolarHBondContact O-N 3.04Å; T192-F194 VanDerWaalsContact C-N 3.34Å; T192-F194 PolarHBondContact O-N 3.5Å; F194-I196 PolarHBondContact O-N 3.38Å; F194-A197 PolarHBondContact O-N 3.49Å; F194-V198 VanDerWaalsContact O-CG2 3.3Å; F194-V198 WeakPolarHBondContact O-CG2 3.39Å; F194-V198 PolarHBondContact O-N 3.02Å
195M92.1Very high93.3Very high2 Ų245.1 Ų45.11%0.0125%0.254CS..Hα-helixtrans-64.2-38.7179.4-75.3-64.2-7300112.7R32 I35 L36 W77 F191 T192 V193 S199R32-M195 HydrophobicContact CB-CE 4.49Å; R32-M195 HydrophobicContact CG-CE 4.29Å; R32-M195 HydrophobicContact CG-SD 4.44Å; I35-M195 HydrophobicContact CB-SD 3.88Å; I35-M195 HydrophobicContact CD1-SD 4.04Å; I35-M195 HydrophobicContact CG2-CG 3.79Å; I35-M195 HydrophobicContact CG2-SD 3.56Å; I35-M195 VanDerWaalsContact CG2-SD 3.56Å; L36-M195 HydrophobicContact CG-CE 4.43Å; W77-M195 HydrophobicContact CB-CE 3.86Å; W77-M195 HydrophobicContact CD2-CB 4.23Å; W77-M195 HydrophobicContact CD2-CE 3.9Å; W77-M195 HydrophobicContact CD2-CG 3.92Å; W77-M195 HydrophobicContact CE3-CE 4.15Å; W77-M195 HydrophobicContact CE3-CG 3.83Å; W77-M195 HydrophobicContact CG-CE 3.77Å; W77-M195 HydrophobicContact CH2-CB 4.32Å; W77-M195 HydrophobicContact CH2-CG 3.97Å; W77-M195 HydrophobicContact CZ2-CB 3.95Å; W77-M195 HydrophobicContact CZ2-CG 4.06Å; W77-M195 HydrophobicContact CZ3-CG 3.86Å; F191-M195 WeakPolarHBondContact O-CG 3.11Å; F191-M195 PolarHBondContact O-N 2.87Å; T192-M195 PolarHBondContact O-N 3.31Å; V193-M195 PolarHBondContact O-N 2.91Å; M195-S199 WeakPolarHBondContact O-CB 3.29Å; M195-S199 PolarHBondContact O-N 3.39Å; M195-S199 PolarHBondContact O-OG 3.36Å
196I92.8Very high93.3Very high31 Ų3144.3 Ų44.316%0.15925%0.249CC..Hα-helixtrans-67.9-44.5175.7-65.7153.8000110.8F154 F161 T192 V193 F194 V198 S199 G200F154-I196 HydrophobicContact CE1-CD1 4.35Å; F161-I196 HydrophobicContact CB-CD1 3.88Å; F161-I196 HydrophobicContact CD1-CD1 3.15Å; F161-I196 HydrophobicContact CD1-CG1 4.1Å; F161-I196 HydrophobicContact CE1-CD1 3.76Å; F161-I196 HydrophobicContact CE1-CG1 4.23Å; F161-I196 HydrophobicContact CE1-CG2 4.2Å; F161-I196 HydrophobicContact CG-CD1 3.74Å; F161-I196 HydrophobicContact CZ-CG2 4.49Å; T192-I196 HydrophobicContact CG2-CD1 3.54Å; T192-I196 HydrophobicContact CG2-CG1 4.45Å; T192-I196 VanDerWaalsContact O-CD1 3.31Å; T192-I196 WeakPolarHBondContact O-CD1 3.33Å; T192-I196 VanDerWaalsContact O-CG1 3.29Å; T192-I196 WeakPolarHBondContact O-CG1 3.44Å; T192-I196 PolarHBondContact O-N 3.37Å; V193-I196 PolarHBondContact O-N 2.87Å; F194-I196 PolarHBondContact O-N 3.38Å; I196-V198 PolarHBondContact O-N 3.03Å; I196-S199 CarbonylContact O-C 3.49Å; I196-S199 WeakPolarHBondContact O-CA 3.43Å; I196-S199 WeakPolarHBondContact O-CB 3.47Å; I196-S199 PolarHBondContact O-N 3.4Å; I196-S199 VanDerWaalsContact O-N 3.08Å; I196-G200 PolarHBondContact O-N 3.12Å
197A93.2Very high93.4Very high52 Ų5242.1 Ų42.143%0.4324%0.235SC..Hα-helixtrans-59.7-46.4177.800000111.6V193 F194 S199 G200 I201V193-A197 WeakPolarHBondContact O-CB 3.15Å; V193-A197 PolarHBondContact O-N 3.34Å; F194-A197 PolarHBondContact O-N 3.49Å; A197-S199 VanDerWaalsContact C-N 3.27Å; A197-S199 PolarHBondContact O-N 3.48Å; A197-G200 PolarHBondContact O-N 3.47Å; A197-I201 WeakPolarHBondContact O-CG1 3.08Å; A197-I201 PolarHBondContact O-N 3.47Å
198V93Very high93.5Very high13 Ų1342.9 Ų42.98%0.07925%0.245CC..Hα-helixtrans-61.1-38.2174.3173.30000111V27 F31 R32 F194 I196 I201 C202V27-V198 HydrophobicContact CG1-CG1 4Å; F31-V198 HydrophobicContact CB-CG1 4.11Å; F31-V198 HydrophobicContact CB-CG2 3.95Å; F31-V198 HydrophobicContact CG-CG2 4.48Å; R32-V198 HydrophobicContact CG-CG1 3.79Å; F194-V198 VanDerWaalsContact O-CG2 3.3Å; F194-V198 WeakPolarHBondContact O-CG2 3.39Å; F194-V198 PolarHBondContact O-N 3.02Å; I196-V198 PolarHBondContact O-N 3.03Å; V198-I201 PolarHBondContact O-N 2.86Å; V198-C202 WeakPolarHBondContact O-CB 3.12Å; V198-C202 PolarHBondContact O-N 3.43Å; V198-C202 PolarHBondContact O-SG 3.27Å; V198-C202 VanDerWaalsContact O-SG 3.39Å
199S93.6Very high93.3Very high4 Ų442.7 Ų42.73%0.02824%0.243CC..Hα-helixtrans-65.7-41175.7-55.40000112.9R32 Q80 M195 I196 A197 C202 I203R32-S199 VanDerWaalsContact NH2-CB 3.28Å; R32-S199 PolarHBondContact NH2-OG 2.85Å; Q80-S199 PolarHBondContact NE2-OG 3.15Å; M195-S199 WeakPolarHBondContact O-CB 3.29Å; M195-S199 PolarHBondContact O-N 3.39Å; M195-S199 PolarHBondContact O-OG 3.36Å; I196-S199 CarbonylContact O-C 3.49Å; I196-S199 WeakPolarHBondContact O-CA 3.43Å; I196-S199 WeakPolarHBondContact O-CB 3.47Å; I196-S199 PolarHBondContact O-N 3.4Å; I196-S199 VanDerWaalsContact O-N 3.08Å; A197-S199 VanDerWaalsContact C-N 3.27Å; A197-S199 PolarHBondContact O-N 3.48Å; S199-C202 WeakPolarHBondContact O-CB 3.3Å; S199-C202 PolarHBondContact O-N 2.96Å; S199-I203 WeakPolarHBondContact O-CG1 3.46Å; S199-I203 PolarHBondContact O-N 2.91Å
200G94.4Very high93.3Very high25 Ų2542.7 Ų42.726%0.25824%0.242SC..Hα-helixtrans-59.4-45.9172.300000112.2I196 A197 C202 I203 L204I196-G200 PolarHBondContact O-N 3.12Å; A197-G200 PolarHBondContact O-N 3.47Å; G200-C202 VanDerWaalsContact C-N 3.35Å; G200-C202 PolarHBondContact O-N 3.19Å; G200-I203 PolarHBondContact O-N 2.97Å; G200-L204 WeakPolarHBondContact O-CG 3.24Å; G200-L204 PolarHBondContact O-N 3.21Å
201I94Very high93.3Very high88 Ų8841.9 Ų41.945%0.45124%0.239SC..Hα-helixtrans-60.1-45.1175-65.8166.6000110.7A197 V198 I203 L204 L205A197-I201 WeakPolarHBondContact O-CG1 3.08Å; A197-I201 PolarHBondContact O-N 3.47Å; V198-I201 PolarHBondContact O-N 2.86Å; I201-I203 VanDerWaalsContact C-N 3.34Å; I201-I203 PolarHBondContact O-N 3.44Å; I201-L204 PolarHBondContact O-N 3.42Å; I201-L205 HydrophobicContact CG2-CD1 4.11Å; I201-L205 HydrophobicContact CG2-CG 4.36Å; I201-L205 WeakPolarHBondContact O-CG 3.38Å; I201-L205 PolarHBondContact O-N 3.17Å
202C94.2Very high93.2Very high0 Ų045.5 Ų45.50%025%0.253CS..Hα-helixtrans-59.5-42176.3-790000112.6E147 V198 S199 G200 N206E147-C202 WeakPolarHBondContact OE1-CB 3.28Å; V198-C202 WeakPolarHBondContact O-CB 3.12Å; V198-C202 PolarHBondContact O-N 3.43Å; V198-C202 PolarHBondContact O-SG 3.27Å; V198-C202 VanDerWaalsContact O-SG 3.39Å; S199-C202 WeakPolarHBondContact O-CB 3.3Å; S199-C202 PolarHBondContact O-N 2.96Å; G200-C202 VanDerWaalsContact C-N 3.35Å; G200-C202 PolarHBondContact O-N 3.19Å; C202-N206 WeakPolarHBondContact O-CB 3.28Å; C202-N206 PolarHBondContact O-N 3.4Å; C202-N206 PolarHBondContact O-ND2 3.28Å
203I95.2Very high92.9Very high30 Ų3045.5 Ų45.515%0.15425%0.253CS..Hα-helixtrans-61.3-49.9175-70.2168.3000110E147 M151 S199 G200 I201 L205 N206 V207E147-I203 HydrophobicContact CB-CD1 3.96Å; E147-I203 HydrophobicContact CB-CG1 3.53Å; E147-I203 HydrophobicContact CG-CG1 4.24Å; M151-I203 HydrophobicContact CE-CD1 3.95Å; M151-I203 HydrophobicContact SD-CD1 4.23Å; S199-I203 WeakPolarHBondContact O-CG1 3.46Å; S199-I203 PolarHBondContact O-N 2.91Å; G200-I203 PolarHBondContact O-N 2.97Å; I201-I203 VanDerWaalsContact C-N 3.34Å; I201-I203 PolarHBondContact O-N 3.44Å; I203-L205 VanDerWaalsContact C-N 3.34Å; I203-L205 PolarHBondContact O-N 3.15Å; I203-N206 PolarHBondContact O-N 3.16Å; I203-V207 HydrophobicContact CG2-CG2 4.12Å; I203-V207 WeakPolarHBondContact O-CB 3.33Å; I203-V207 VanDerWaalsContact O-CG2 3.3Å; I203-V207 WeakPolarHBondContact O-CG2 3.46Å; I203-V207 PolarHBondContact O-N 2.94Å
204L94.9Very high92.7Very high116 Ų11645.5 Ų45.561%0.60725%0.249SC*.Hα-helixtrans-59.4-42.6-179.7-69.5174.8000112.4G200 I201 T208G200-L204 WeakPolarHBondContact O-CG 3.24Å; G200-L204 PolarHBondContact O-N 3.21Å; I201-L204 PolarHBondContact O-N 3.42Å; L204-T208 VanDerWaalsContact O-CB 3.3Å; L204-T208 WeakPolarHBondContact O-CB 3.08Å; L204-T208 PolarHBondContact O-N 3.14Å; L204-T208 PolarHBondContact O-OG1 3.01Å
205L93.9Very high92.6Very high37 Ų3744.8 Ų44.819%0.19425%0.25CC..Hα-helixtrans-62.3-46.8176.2-70.6176.2000111.7I23 W24 V27 I201 I203 T208 E209I23-L205 HydrophobicContact CG2-CD1 4.16Å; W24-L205 HydrophobicContact CB-CD1 4.31Å; V27-L205 HydrophobicContact CG2-CD1 4.46Å; I201-L205 HydrophobicContact CG2-CD1 4.11Å; I201-L205 HydrophobicContact CG2-CG 4.36Å; I201-L205 WeakPolarHBondContact O-CG 3.38Å; I201-L205 PolarHBondContact O-N 3.17Å; I203-L205 VanDerWaalsContact C-N 3.34Å; I203-L205 PolarHBondContact O-N 3.15Å; L205-T208 PolarHBondContact O-N 3.22Å; L205-E209 WeakPolarHBondContact O-CB 3.26Å; L205-E209 PolarHBondContact O-N 3.49Å
206N93.6Very high92.2Very high0 Ų046 Ų460%025%0.254CS..Hα-helixtrans-66-40.9179-75.5-49.7000112.4W24 I140 R143 V144 C202 I203 E209 L210W24-N206 PolarHBondContact NE1-ND2 2.94Å; W24-N206 VanDerWaalsContact NE1-ND2 3.18Å; I140-N206 HydrophobicContact CG2-CB 4.14Å; I140-N206 VanDerWaalsContact CG2-O 3.24Å; I140-N206 WeakPolarHBondContact CG2-O 3.26Å; R143-N206 PolarHBondContact NE-OD1 2.98Å; R143-N206 PolarHBondContact NH2-OD1 2.92Å; V144-N206 HydrophobicContact CG2-CB 3.45Å; V144-N206 VanDerWaalsContact CG2-CB 3.45Å; C202-N206 WeakPolarHBondContact O-CB 3.28Å; C202-N206 PolarHBondContact O-N 3.4Å; C202-N206 PolarHBondContact O-ND2 3.28Å; I203-N206 PolarHBondContact O-N 3.16Å; N206-E209 PolarHBondContact O-N 2.76Å; N206-L210 WeakPolarHBondContact O-CB 2.9Å; N206-L210 PolarHBondContact O-N 2.54Å
207V95.1Very high91.8Very high57 Ų5750.3 Ų50.335%0.34527%0.27SS..Hα-helixtrans-64.6-45176.2170.60000110.4V144 I203 E209 L210 C211V144-V207 HydrophobicContact CG1-CG2 4.12Å; V144-V207 HydrophobicContact CG2-CG2 4.1Å; I203-V207 HydrophobicContact CG2-CG2 4.12Å; I203-V207 WeakPolarHBondContact O-CB 3.33Å; I203-V207 VanDerWaalsContact O-CG2 3.3Å; I203-V207 WeakPolarHBondContact O-CG2 3.46Å; I203-V207 PolarHBondContact O-N 2.94Å; V207-E209 VanDerWaalsContact C-N 3.3Å; V207-E209 PolarHBondContact O-N 2.97Å; V207-L210 PolarHBondContact O-N 2.83Å; V207-C211 WeakPolarHBondContact O-CB 2.92Å; V207-C211 PolarHBondContact O-N 2.83Å; V207-C211 PolarHBondContact O-SG 2.79Å
208T93.9Very high91.4Very high81 Ų8153 Ų5350%0.49728%0.284SS..Hα-helixtrans-59.2-42.9176.4-58.70000111.2L204 L205 Y212L204-T208 VanDerWaalsContact O-CB 3.3Å; L204-T208 WeakPolarHBondContact O-CB 3.08Å; L204-T208 PolarHBondContact O-N 3.14Å; L204-T208 PolarHBondContact O-OG1 3.01Å; L205-T208 PolarHBondContact O-N 3.22Å; T208-Y212 WeakPolarHBondContact O-CB 3.44Å; T208-Y212 PolarHBondContact O-N 2.78Å
209E91.4Very high90.9Very high1 Ų155.7 Ų55.71%0.00530%0.303CS..Hα-helixtrans-65.7-43.1176.9-164.5171.717800112.3T18 I20 G21 Y136 I140 L205 N206 V207 Y212 L213T18-E209 WeakPolarHBondContact CB-OE1 3.07Å; T18-E209 WeakPolarHBondContact CG2-OE1 3.43Å; T18-E209 VanDerWaalsContact OG1-CD 3.3Å; T18-E209 PolarHBondContact OG1-OE1 3.04Å; I20-E209 HydrophobicContact CB-CB 4.41Å; I20-E209 HydrophobicContact CB-CG 4.28Å; I20-E209 HydrophobicContact CD1-CB 4.47Å; I20-E209 HydrophobicContact CG2-CB 3.96Å; I20-E209 HydrophobicContact CG2-CG 4.34Å; G21-E209 PolarHBondContact N-OE2 2.05Å; Y136-E209 VanDerWaalsContact CE1-OE1 3.25Å; Y136-E209 WeakPolarHBondContact CE1-OE1 3.02Å; Y136-E209 VanDerWaalsContact CZ-OE1 3.26Å; Y136-E209 PolarHBondContact OH-OE1 3.37Å; I140-E209 HydrophobicContact CD1-CB 4.27Å; I140-E209 HydrophobicContact CD1-CG 3.72Å; L205-E209 WeakPolarHBondContact O-CB 3.26Å; L205-E209 PolarHBondContact O-N 3.49Å; N206-E209 PolarHBondContact O-N 2.76Å; V207-E209 VanDerWaalsContact C-N 3.3Å; V207-E209 PolarHBondContact O-N 2.97Å; E209-Y212 PolarHBondContact O-N 3.44Å; E209-L213 WeakPolarHBondContact O-CG 3.08Å; E209-L213 PolarHBondContact O-N 3.49Å
210L92.5Very high89.8Confident31 Ų3158.4 Ų58.416%0.16233%0.332CS..Hα-helixtrans-61.7-47176.3-171.461.7000111.2T137 I140 N206 V207 Y212 L213 L214T137-L210 HydrophobicContact CG2-CD1 3.78Å; I140-L210 HydrophobicContact CG2-CB 3.86Å; I140-L210 HydrophobicContact CG2-CD1 4.31Å; N206-L210 WeakPolarHBondContact O-CB 2.9Å; N206-L210 PolarHBondContact O-N 2.54Å; V207-L210 PolarHBondContact O-N 2.83Å; L210-Y212 VanDerWaalsContact C-N 3.35Å; L210-Y212 PolarHBondContact O-N 2.9Å; L210-L213 PolarHBondContact O-N 3.17Å; L210-L214 HydrophobicContact CG-CD1 4.14Å; L210-L214 WeakPolarHBondContact O-CB 3.41Å; L210-L214 VanDerWaalsContact O-CG 3.3Å; L210-L214 WeakPolarHBondContact O-CG 3.05Å; L210-L214 PolarHBondContact O-N 3.43Å
211C92.6Very high88.2Confident60 Ų6064.2 Ų64.241%0.40535%0.35SS..Hα-helixtrans-59.2-44.7175.4-72.10000111.4V207 L213 L214 I215V207-C211 WeakPolarHBondContact O-CB 2.92Å; V207-C211 PolarHBondContact O-N 2.83Å; V207-C211 PolarHBondContact O-SG 2.79Å; C211-L213 VanDerWaalsContact C-N 3.35Å; C211-L213 PolarHBondContact O-N 3.49Å; C211-L214 PolarHBondContact O-N 3.42Å; C211-I215 WeakPolarHBondContact O-CB 3.34Å; C211-I215 WeakPolarHBondContact O-CD1 3.32Å; C211-I215 WeakPolarHBondContact O-CG1 3.41Å; C211-I215 PolarHBondContact O-N 2.89Å
212Y89.5Confident86.4Confident120 Ų12062.2 Ų62.247%0.47134%0.344SS..Hα-helixtrans-58.6-45.1177.1177.3-98.1000112.1T208 E209 L210 R216T208-Y212 WeakPolarHBondContact O-CB 3.44Å; T208-Y212 PolarHBondContact O-N 2.78Å; E209-Y212 PolarHBondContact O-N 3.44Å; L210-Y212 VanDerWaalsContact C-N 3.35Å; L210-Y212 PolarHBondContact O-N 2.9Å; Y212-R216 VanDerWaalsContact O-CB 3.31Å; Y212-R216 WeakPolarHBondContact O-CB 3.38Å; Y212-R216 PolarHBondContact O-N 2.83Å
213L87.4Confident84.3Confident2 Ų271.3 Ų71.31%0.0138%0.384CS..Hα-helixtrans-66.1-42178.1-68.9172.8000112.3W133 Y136 I140 E209 L210 C211 R216 Y217W133-L213 HydrophobicContact CZ2-CB 4.29Å; Y136-L213 HydrophobicContact CD1-CD1 3.68Å; Y136-L213 HydrophobicContact CE1-CD1 3.86Å; I140-L213 HydrophobicContact CD1-CD1 3.63Å; E209-L213 WeakPolarHBondContact O-CG 3.08Å; E209-L213 PolarHBondContact O-N 3.49Å; L210-L213 PolarHBondContact O-N 3.17Å; C211-L213 VanDerWaalsContact C-N 3.35Å; C211-L213 PolarHBondContact O-N 3.49Å; L213-R216 PolarHBondContact O-N 3.48Å; L213-Y217 WeakPolarHBondContact O-CB 3.09Å; L213-Y217 PolarHBondContact O-N 3.09Å
214L88.5Confident82.2Confident81 Ų8177.4 Ų77.442%0.42441%0.409SS..Hα-helixtrans-65.1-47.2177.6-71.2173000111.8L210 C211 R216 Y217 C218L210-L214 HydrophobicContact CG-CD1 4.14Å; L210-L214 WeakPolarHBondContact O-CB 3.41Å; L210-L214 VanDerWaalsContact O-CG 3.3Å; L210-L214 WeakPolarHBondContact O-CG 3.05Å; L210-L214 PolarHBondContact O-N 3.43Å; C211-L214 PolarHBondContact O-N 3.42Å; L214-R216 VanDerWaalsContact C-N 3.27Å; L214-R216 PolarHBondContact O-N 2.82Å; L214-Y217 WeakPolarHBondContact O-CB 3.31Å; L214-Y217 PolarHBondContact O-N 3.28Å; L214-Y217 VanDerWaalsContact O-N 3.14Å; L214-C218 PolarHBondContact O-N 3.36Å; L214-C218 PolarHBondContact O-SG 2.87Å; L214-C218 VanDerWaalsContact O-SG 3.36Å
215I89.2Confident80.1Confident109 Ų10975.9 Ų75.956%0.55941%0.406SS*.Hα-helixtrans-58.1-43.4176.9-69.4164.3000110.3C211 C218 S219C211-I215 WeakPolarHBondContact O-CB 3.34Å; C211-I215 WeakPolarHBondContact O-CD1 3.32Å; C211-I215 WeakPolarHBondContact O-CG1 3.41Å; C211-I215 PolarHBondContact O-N 2.89Å; I215-C218 PolarHBondContact O-N 3.16Å; I215-S219 VanDerWaalsContact O-CB 3.24Å; I215-S219 WeakPolarHBondContact O-CB 3.26Å; I215-S219 PolarHBondContact O-N 3.35Å; I215-S219 PolarHBondContact O-OG 3.19Å
216R84.2Confident78Confident27 Ų2777.4 Ų77.410%0.10242%0.417CS..Hα-helixtrans-67.7-35.4179.3-175.3178.4147.9170.9-15.5112.7Y212 L213 L214 K221 S222 K224Y212-R216 VanDerWaalsContact O-CB 3.31Å; Y212-R216 WeakPolarHBondContact O-CB 3.38Å; Y212-R216 PolarHBondContact O-N 2.83Å; L213-R216 PolarHBondContact O-N 3.48Å; L214-R216 VanDerWaalsContact C-N 3.27Å; L214-R216 PolarHBondContact O-N 2.82Å; R216-K221 HydrophobicContact CG-CB 4.18Å; R216-K221 PolarHBondContact NE-O 3.16Å; R216-K221 PolarHBondContact O-N 2.85Å; R216-S222 PolarHBondContact NH2-O 2.9Å; R216-K224 PolarHBondContact NH1-O 2.85Å; R216-K224 PolarHBondContact NH2-O 3.08Å
217Y83.1Confident77.3Confident122 Ų12281.3 Ų81.348%0.47844%0.438SS..Hα-helixtrans-65.5-50174-171.4-94.5000111W133 L213 L214 S219 G220W133-Y217 HydrophobicContact CE3-CD2 4.49Å; W133-Y217 AromaticContact CH2-CD2 3.67Å; W133-Y217 HydrophobicContact CH2-CD2 3.67Å; W133-Y217 HydrophobicContact CH2-CE2 4.27Å; W133-Y217 AromaticContact CH2-CG 3.89Å; W133-Y217 HydrophobicContact CH2-CG 3.89Å; W133-Y217 AromaticContact CZ2-CD2 3.8Å; W133-Y217 HydrophobicContact CZ2-CD2 3.8Å; W133-Y217 HydrophobicContact CZ2-CG 4.02Å; W133-Y217 HydrophobicContact CZ3-CD2 4.04Å; W133-Y217 HydrophobicContact CZ3-CE2 4.21Å; L213-Y217 WeakPolarHBondContact O-CB 3.09Å; L213-Y217 PolarHBondContact O-N 3.09Å; L214-Y217 WeakPolarHBondContact O-CB 3.31Å; L214-Y217 PolarHBondContact O-N 3.28Å; L214-Y217 VanDerWaalsContact O-N 3.14Å; Y217-S219 PolarHBondContact O-N 2.02Å; Y217-G220 PolarHBondContact O-N 3.3Å
218C85.4Confident76.3Confident108 Ų10882.6 Ų82.673%0.7344%0.443SS*.Hα-helixtrans-63.8-36.4177.8-65.80000113.1L214 I215 G220L214-C218 PolarHBondContact O-N 3.36Å; L214-C218 PolarHBondContact O-SG 2.87Å; L214-C218 VanDerWaalsContact O-SG 3.36Å; I215-C218 PolarHBondContact O-N 3.16Å; C218-G220 PolarHBondContact O-N 2.91Å
219S82.1Confident75.3Confident70 Ų7082.7 Ų82.749%0.4944%0.44SS..THydrogen-bonded Turntrans-75.42.9179.9-57.70000113.9I215 Y217 K221I215-S219 VanDerWaalsContact O-CB 3.24Å; I215-S219 WeakPolarHBondContact O-CB 3.26Å; I215-S219 PolarHBondContact O-N 3.35Å; I215-S219 PolarHBondContact O-OG 3.19Å; Y217-S219 PolarHBondContact O-N 2.02Å; S219-K221 PolarHBondContact O-N 3.37Å
220G70.3Confident74.4Confident61 Ų6187.5 Ų87.563%0.62947%0.465SS*.THydrogen-bonded Turntrans64.64.5-176.700000114.7Y217 C218 S222Y217-G220 PolarHBondContact O-N 3.3Å; C218-G220 PolarHBondContact O-N 2.91Å; G220-S222 PolarHBondContact O-N 2.03Å
221K61.8Low73.3Confident147 Ų14791 Ų9164%0.63948%0.484SS*.G310 helixtrans-79.820-178.8-70.9-178.2-178.8171.20112.9R216 S219 K223R216-K221 HydrophobicContact CG-CB 4.18Å; R216-K221 PolarHBondContact NE-O 3.16Å; R216-K221 PolarHBondContact O-N 2.85Å; S219-K221 PolarHBondContact O-N 3.37Å; K221-K223 PolarHBondContact O-N 3.23Å
222S55.3Low72Confident46 Ų4693.1 Ų93.132%0.32249%0.489SS..G310 helixtrans-57.5-22.6-175.9-164.30000113.5R216 G220 K224R216-S222 PolarHBondContact NH2-O 2.9Å; G220-S222 PolarHBondContact O-N 2.03Å; S222-K224 PolarHBondContact O-N 3.12Å
223K51Low70.7Confident192 Ų19291.1 Ų91.184%0.83549%0.491SS*.G310 helixtrans-81.22-172.5-60.8-171.7179-177.80117.9K221K221-K223 PolarHBondContact O-N 3.23Å
224K50Low69.4Low158 Ų15898 Ų9869%0.68753%0.528SS*.SBendtrans-103.7134.7179.8-70.2-169.9177.2-173.10112.3R216 S222 V226R216-K224 PolarHBondContact NH1-O 2.85Å; R216-K224 PolarHBondContact NH2-O 3.08Å; S222-K224 PolarHBondContact O-N 3.12Å; K224-V226 PolarHBondContact O-N 3.19Å
225P51.2Low67.9Low84 Ų8499.4 Ų99.455%0.54554%0.536SS..  trans-58140.2-179.323.9-33.1000112.8
226V50.8Low65.9Low69 Ų6998.5 Ų98.542%0.41853%0.534SS..  trans-82.90166.1-174.10000109.1T18 I128 K224T18-V226 HydrophobicContact CG2-CG1 3.63Å; I128-V226 HydrophobicContact CD1-CB 4.49Å; K224-V226 PolarHBondContact O-N 3.19Å

Retrieved 226 of 226 residues in 155.4 ms (Link to these results)

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