A0A077ZKD4_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZKD4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 273 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
1M71.3Confident82.6Confident188 Ų18899.2 Ų99.293%0.92650%0.503SS*.  0-51.10-163.8179.8-6500112K4 K5M1-K4 WeakPolarHBondContact O-CB 3.24Å; M1-K4 PolarHBondContact O-N 3.16Å; M1-K5 HydrophobicContact CG-CG 4.47Å; M1-K5 WeakPolarHBondContact O-CG 3.33Å; M1-K5 PolarHBondContact O-N 2.94Å
2I81Confident83Confident19 Ų1990.9 Ų90.910%0.09746%0.461CS..THydrogen-bonded Turntrans-53-57.4179.9-62.2160.8000111.9K4 K5 L6 K7 P8 V15I2-K4 PolarHBondContact O-N 3.44Å; I2-K5 CarbonylContact O-C 2.94Å; I2-K5 PolarHBondContact O-N 3.2Å; I2-L6 PolarHBondContact O-N 3.28Å; I2-K7 HydrophobicContact CG2-CB 3.89Å; I2-K7 WeakPolarHBondContact CG2-O 3.5Å; I2-K7 PolarHBondContact O-N 2.96Å; I2-P8 WeakPolarHBondContact CG2-O 3.18Å; I2-V15 HydrophobicContact CD1-CG2 4.47Å; I2-V15 HydrophobicContact CG1-CG2 4.42Å
3A78.6Confident83.4Confident44 Ų4493 Ų9336%0.36447%0.468SS..G310 helixtrans-59.1-43.7176.600000112.9K5 L6 I48A3-K5 PolarHBondContact O-N 3.18Å; A3-K5 VanDerWaalsContact O-N 3.16Å; A3-L6 PolarHBondContact O-N 3.45Å; A3-I48 HydrophobicContact CB-CD1 3.97Å
4K80.7Confident83.8Confident189 Ų18995.8 Ų95.882%0.82248%0.476SS*.G310 helixtrans-59.1-27.5176-173.4176.9-178.2175.80113.1M1 I2M1-K4 WeakPolarHBondContact O-CB 3.24Å; M1-K4 PolarHBondContact O-N 3.16Å; I2-K4 PolarHBondContact O-N 3.44Å
5K84.6Confident84.2Confident150 Ų15092.5 Ų92.565%0.65246%0.463SS*.G310 helixtrans-977.5177.3-67.3-66.1-172.4176.70112.8M1 I2 A3 K7M1-K5 HydrophobicContact CG-CG 4.47Å; M1-K5 WeakPolarHBondContact O-CG 3.33Å; M1-K5 PolarHBondContact O-N 2.94Å; I2-K5 CarbonylContact O-C 2.94Å; I2-K5 PolarHBondContact O-N 3.2Å; A3-K5 PolarHBondContact O-N 3.18Å; A3-K5 VanDerWaalsContact O-N 3.16Å; K5-K7 HydrophobicContact CB-CG 3.94Å; K5-K7 PolarHBondContact O-N 3.49Å
6L82.3Confident84.6Confident163 Ų16390.2 Ų90.285%0.85345%0.449SS*.THydrogen-bonded Turntrans52.734.3-176.7-58.2176.5000112.7I2 A3I2-L6 PolarHBondContact O-N 3.28Å; A3-L6 PolarHBondContact O-N 3.45Å
7K85.2Confident85Confident100 Ų10092.6 Ų92.644%0.43546%0.459SS..  trans-87.5148.3178.1-70.2-54.9-152.3151.10111I2 K5 H9 E11I2-K7 HydrophobicContact CG2-CB 3.89Å; I2-K7 WeakPolarHBondContact CG2-O 3.5Å; I2-K7 PolarHBondContact O-N 2.96Å; K5-K7 HydrophobicContact CB-CG 3.94Å; K5-K7 PolarHBondContact O-N 3.49Å; K7-H9 PolarHBondContact O-N 3.09Å; K7-E11 HydrophobicContact CB-CG 4.49Å; K7-E11 WeakPolarHBondContact CB-OE2 3.34Å; K7-E11 WeakPolarHBondContact CD-OE1 3.3Å; K7-E11 WeakPolarHBondContact CD-OE2 3.42Å; K7-E11 VanDerWaalsContact CG-OE2 3.3Å; K7-E11 WeakPolarHBondContact CG-OE2 3.32Å; K7-E11 IonicContact NZ-OE1 3.63Å; K7-E11 PolarHBondContact NZ-OE1 3.29Å
8P87.1Confident85.4Confident80 Ų8090.8 Ų90.852%0.51946%0.456SS..  trans-53.4137173.6-24.833.7000110.9I2 A10 E11I2-P8 WeakPolarHBondContact CG2-O 3.18Å; P8-A10 PolarHBondContact O-N 3.25Å; P8-E11 WeakPolarHBondContact CD-OE1 3.45Å; P8-E11 WeakPolarHBondContact O-CB 2.77Å; P8-E11 PolarHBondContact O-N 2.97Å
9H84.8Confident85.8Confident60 Ų6089.6 Ų89.628%0.27845%0.45SS..THydrogen-bonded Turntrans-59.7-21.5178.7-64.3175.1000112.8K7 E11 G12 R41 V44K7-H9 PolarHBondContact O-N 3.09Å; H9-E11 PolarHBondContact O-N 3.3Å; H9-G12 PolarHBondContact O-N 3.21Å; H9-G12 VanDerWaalsContact O-N 3.14Å; H9-R41 HydrophobicContact CB-CB 4.38Å; H9-R41 HydrophobicContact CB-CG 3.86Å; H9-V44 HydrophobicContact CB-CB 4.5Å; H9-V44 HydrophobicContact CB-CG1 4.29Å
10A86.1Confident86.1Confident36 Ų3687 Ų8730%0.29844%0.437SS..THydrogen-bonded Turntrans-61.8-27.3172.300000113.5P8 G12 E13P8-A10 PolarHBondContact O-N 3.25Å; A10-G12 PolarHBondContact O-N 2.68Å; A10-E13 PolarHBondContact O-N 3.15Å
11E87.3Confident86.5Confident62 Ų6285.4 Ų85.429%0.2944%0.438SS..Hα-helixtrans-63.9-12.3175.2-65.9-168.4-169.500112.2K7 P8 H9 E13 F14 V15K7-E11 HydrophobicContact CB-CG 4.49Å; K7-E11 WeakPolarHBondContact CB-OE2 3.34Å; K7-E11 WeakPolarHBondContact CD-OE1 3.3Å; K7-E11 WeakPolarHBondContact CD-OE2 3.42Å; K7-E11 VanDerWaalsContact CG-OE2 3.3Å; K7-E11 WeakPolarHBondContact CG-OE2 3.32Å; K7-E11 IonicContact NZ-OE1 3.63Å; K7-E11 PolarHBondContact NZ-OE1 3.29Å; P8-E11 WeakPolarHBondContact CD-OE1 3.45Å; P8-E11 WeakPolarHBondContact O-CB 2.77Å; P8-E11 PolarHBondContact O-N 2.97Å; H9-E11 PolarHBondContact O-N 3.3Å; E11-E13 VanDerWaalsContact C-N 3.26Å; E11-E13 PolarHBondContact O-N 3.34Å; E11-F14 PolarHBondContact O-N 3.1Å; E11-V15 VanDerWaalsContact O-CG2 3.31Å; E11-V15 WeakPolarHBondContact O-CG2 3.44Å; E11-V15 PolarHBondContact O-N 2.83Å
12G87.1Confident87.6Confident0 Ų078.5 Ų78.50%041%0.411CS..Hα-helixtrans-59.6-33.5175.800000114.4H9 A10 K16 L39H9-G12 PolarHBondContact O-N 3.21Å; H9-G12 VanDerWaalsContact O-N 3.14Å; A10-G12 PolarHBondContact O-N 2.68Å; G12-K16 WeakPolarHBondContact O-CB 3.37Å; G12-K16 PolarHBondContact O-N 3.49Å; G12-L39 WeakPolarHBondContact CA-O 3.5Å; G12-L39 VanDerWaalsContact O-CB 3.3Å; G12-L39 WeakPolarHBondContact O-CB 3.47Å
13E87.7Confident88.2Confident118 Ų11877.9 Ų77.955%0.55141%0.409SS*.Hα-helixtrans-68.7-47.9176.8-69.5172.3-171.900110.8A10 E11 V15 K16 E17A10-E13 PolarHBondContact O-N 3.15Å; E11-E13 VanDerWaalsContact C-N 3.26Å; E11-E13 PolarHBondContact O-N 3.34Å; E13-V15 PolarHBondContact O-N 3.43Å; E13-K16 WeakPolarHBondContact O-CB 3.45Å; E13-K16 PolarHBondContact O-N 2.77Å; E13-K16 VanDerWaalsContact O-N 3.11Å; E13-E17 PolarHBondContact O-N 3.08Å
14F89.4Confident89Confident132 Ų13281.7 Ų81.758%0.57942%0.417SS*.Hα-helixtrans-61.1-44.7175.6178.1-108.9000112.3E11 K16 E17 C18E11-F14 PolarHBondContact O-N 3.1Å; F14-K16 PolarHBondContact O-N 2.81Å; F14-E17 PolarHBondContact O-N 3.11Å; F14-C18 PolarHBondContact O-N 2.85Å; F14-C18 PolarHBondContact O-SG 3.27Å; F14-C18 VanDerWaalsContact O-SG 3.37Å
15V90.1Very high89.6Confident46 Ų4679.7 Ų79.728%0.27942%0.415SS..Hα-helixtrans-60.2-37.9175.51710000111I2 E11 E13 C18 I19 L39I2-V15 HydrophobicContact CD1-CG2 4.47Å; I2-V15 HydrophobicContact CG1-CG2 4.42Å; E11-V15 VanDerWaalsContact O-CG2 3.31Å; E11-V15 WeakPolarHBondContact O-CG2 3.44Å; E11-V15 PolarHBondContact O-N 2.83Å; E13-V15 PolarHBondContact O-N 3.43Å; V15-C18 PolarHBondContact O-N 3.49Å; V15-I19 HydrophobicContact CG1-CD1 3.7Å; V15-I19 HydrophobicContact CG1-CG1 4.38Å; V15-I19 WeakPolarHBondContact O-CB 3.19Å; V15-I19 VanDerWaalsContact O-CG1 3.24Å; V15-I19 WeakPolarHBondContact O-CG1 3.25Å; V15-I19 PolarHBondContact O-N 2.81Å; V15-L39 HydrophobicContact CG1-CD1 4.17Å
16K90.2Very high90.1Very high56 Ų5679.7 Ų79.724%0.24342%0.421CS..Hα-helixtrans-63.4-46.1175.6-172.7170.4177.8165.50111.5G12 E13 F14 C18 I19 L20 E35 V37 L39G12-K16 WeakPolarHBondContact O-CB 3.37Å; G12-K16 PolarHBondContact O-N 3.49Å; E13-K16 WeakPolarHBondContact O-CB 3.45Å; E13-K16 PolarHBondContact O-N 2.77Å; E13-K16 VanDerWaalsContact O-N 3.11Å; F14-K16 PolarHBondContact O-N 2.81Å; K16-C18 VanDerWaalsContact C-N 3.34Å; K16-C18 PolarHBondContact O-N 2.94Å; K16-I19 PolarHBondContact O-N 3.04Å; K16-L20 HydrophobicContact CG-CD1 4.06Å; K16-L20 HydrophobicContact CG-CG 4.39Å; K16-L20 WeakPolarHBondContact O-CG 3.2Å; K16-L20 PolarHBondContact O-N 3.13Å; K16-E35 WeakPolarHBondContact CE-O 3.44Å; K16-E35 PolarHBondContact NZ-O 2.89Å; K16-V37 VanDerWaalsContact CE-O 3.3Å; K16-V37 WeakPolarHBondContact CE-O 3.48Å; K16-V37 PolarHBondContact NZ-O 3.49Å; K16-L39 HydrophobicContact CB-CB 4.46Å; K16-L39 HydrophobicContact CB-CD1 4.06Å
17E91.3Very high90.7Very high131 Ų13173.6 Ų73.661%0.61239%0.394SS*.Hα-helixtrans-57.6-46.5176.6-70.6177.5-179.900111.7E13 F14 I19 L20 A21E13-E17 PolarHBondContact O-N 3.08Å; F14-E17 PolarHBondContact O-N 3.11Å; E17-I19 PolarHBondContact O-N 3Å; E17-L20 PolarHBondContact O-N 3.33Å; E17-A21 WeakPolarHBondContact O-CB 3.4Å; E17-A21 PolarHBondContact O-N 2.98Å
18C92.5Very high91Very high61 Ų6172.8 Ų72.841%0.41240%0.399SS..Hα-helixtrans-61-43.8176.3-64.20000112.3F14 V15 K16 A21 A22F14-C18 PolarHBondContact O-N 2.85Å; F14-C18 PolarHBondContact O-SG 3.27Å; F14-C18 VanDerWaalsContact O-SG 3.37Å; V15-C18 PolarHBondContact O-N 3.49Å; K16-C18 VanDerWaalsContact C-N 3.34Å; K16-C18 PolarHBondContact O-N 2.94Å; C18-A21 PolarHBondContact O-N 3.35Å; C18-A22 WeakPolarHBondContact O-CB 3.48Å; C18-A22 PolarHBondContact O-N 2.8Å
19I92.4Very high91.3Very high68 Ų6874 Ų7435%0.34942%0.416SS..Hα-helixtrans-64.6-41178.7-70.8167.8000110.7V15 K16 E17 A22 A23 F34V15-I19 HydrophobicContact CG1-CD1 3.7Å; V15-I19 HydrophobicContact CG1-CG1 4.38Å; V15-I19 WeakPolarHBondContact O-CB 3.19Å; V15-I19 VanDerWaalsContact O-CG1 3.24Å; V15-I19 WeakPolarHBondContact O-CG1 3.25Å; V15-I19 PolarHBondContact O-N 2.81Å; K16-I19 PolarHBondContact O-N 3.04Å; E17-I19 PolarHBondContact O-N 3Å; I19-A22 PolarHBondContact O-N 2.86Å; I19-A23 VanDerWaalsContact O-CB 3.25Å; I19-A23 WeakPolarHBondContact O-CB 3.36Å; I19-A23 PolarHBondContact O-N 3.5Å; I19-F34 HydrophobicContact CG2-CB 4.07Å; I19-F34 HydrophobicContact CG2-CD1 3.43Å; I19-F34 VanDerWaalsContact CG2-CD1 3.43Å; I19-F34 HydrophobicContact CG2-CE1 4.04Å; I19-F34 HydrophobicContact CG2-CG 3.88Å
20L93.2Very high91.7Very high36 Ų3673.5 Ų73.519%0.18842%0.419CS..Hα-helixtrans-66.7-41.6177.6-71.7173.9000112K16 E17 A22 A23 K24 F34 E35K16-L20 HydrophobicContact CG-CD1 4.06Å; K16-L20 HydrophobicContact CG-CG 4.39Å; K16-L20 WeakPolarHBondContact O-CG 3.2Å; K16-L20 PolarHBondContact O-N 3.13Å; E17-L20 PolarHBondContact O-N 3.33Å; L20-A22 VanDerWaalsContact C-N 3.34Å; L20-A22 PolarHBondContact O-N 3.48Å; L20-A23 PolarHBondContact O-N 3.37Å; L20-K24 WeakPolarHBondContact O-CG 3.26Å; L20-K24 PolarHBondContact O-N 3.11Å; L20-F34 HydrophobicContact CD2-CB 3.94Å; L20-E35 HydrophobicContact CD2-CB 4.1Å
21A93.9Very high91.9Very high55 Ų5574.6 Ų74.646%0.45542%0.418SS..Hα-helixtrans-61.4-43174.100000111.7E17 C18 L25E17-A21 WeakPolarHBondContact O-CB 3.4Å; E17-A21 PolarHBondContact O-N 2.98Å; C18-A21 PolarHBondContact O-N 3.35Å; A21-L25 PolarHBondContact O-N 3Å
22A94.4Very high92.1Very high43 Ų4379.8 Ų79.836%0.35544%0.44SS..Hα-helixtrans-66.8-42175.600000112.3C18 I19 L20 K24 L25 L26C18-A22 WeakPolarHBondContact O-CB 3.48Å; C18-A22 PolarHBondContact O-N 2.8Å; I19-A22 PolarHBondContact O-N 2.86Å; L20-A22 VanDerWaalsContact C-N 3.34Å; L20-A22 PolarHBondContact O-N 3.48Å; A22-K24 PolarHBondContact O-N 3.42Å; A22-L25 PolarHBondContact O-N 2.94Å; A22-L25 VanDerWaalsContact O-N 3.17Å; A22-L26 WeakPolarHBondContact O-CB 3.45Å; A22-L26 WeakPolarHBondContact O-CG 3.26Å; A22-L26 PolarHBondContact O-N 3.17Å
23A93.9Very high92.4Very high6 Ų685.3 Ų85.35%0.0547%0.468CS..Hα-helixtrans-62.8-4117900000112I19 L20 L25 L26 A27 F34I19-A23 VanDerWaalsContact O-CB 3.25Å; I19-A23 WeakPolarHBondContact O-CB 3.36Å; I19-A23 PolarHBondContact O-N 3.5Å; L20-A23 PolarHBondContact O-N 3.37Å; A23-L25 PolarHBondContact O-N 2.9Å; A23-L26 PolarHBondContact O-N 3.32Å; A23-A27 CarbonylContact O-C 3.46Å; A23-A27 WeakPolarHBondContact O-CA 3.44Å; A23-A27 PolarHBondContact O-N 2.98Å; A23-F34 HydrophobicContact CB-CB 4.5Å; A23-F34 HydrophobicContact CB-CD2 3.43Å; A23-F34 VanDerWaalsContact CB-CD2 3.43Å; A23-F34 HydrophobicContact CB-CE2 3.85Å; A23-F34 HydrophobicContact CB-CG 4.13Å
24K94.1Very high92.5Very high123 Ų12383.3 Ų83.354%0.53546%0.458SS..Hα-helixtrans-57.3-34.2173.9-78.5173177.9179.10113.4L20 A22 E31L20-K24 WeakPolarHBondContact O-CG 3.26Å; L20-K24 PolarHBondContact O-N 3.11Å; A22-K24 PolarHBondContact O-N 3.42Å; K24-E31 WeakPolarHBondContact CE-OE1 3.33Å; K24-E31 VanDerWaalsContact CG-CD 3.44Å; K24-E31 HydrophobicContact CG-CG 4.2Å; K24-E31 VanDerWaalsContact CG-OE1 3.32Å; K24-E31 WeakPolarHBondContact CG-OE1 3.42Å; K24-E31 IonicContact NZ-OE1 2.88Å
25L94.5Very high92.6Very high148 Ų14882.6 Ų82.678%0.77546%0.456SS*.Hα-helixtrans-88.5-41.1-178.6-68173.1000112.7A21 A22 A23A21-L25 PolarHBondContact O-N 3Å; A22-L25 PolarHBondContact O-N 2.94Å; A22-L25 VanDerWaalsContact O-N 3.17Å; A23-L25 PolarHBondContact O-N 2.9Å
26L95.7Very high92.6Very high150 Ų15084.6 Ų84.679%0.78547%0.472SS*.Hα-helixtrans-104.8-27.3-167-59.5176.9000113.8A22 A23A22-L26 WeakPolarHBondContact O-CB 3.45Å; A22-L26 WeakPolarHBondContact O-CG 3.26Å; A22-L26 PolarHBondContact O-N 3.17Å; A23-L26 PolarHBondContact O-N 3.32Å
27A93.8Very high92.6Very high35 Ų3584.6 Ų84.629%0.28948%0.477SS..  trans-147.363.1-176.900000112.4A23 A29 S30 E31A23-A27 CarbonylContact O-C 3.46Å; A23-A27 WeakPolarHBondContact O-CA 3.44Å; A23-A27 PolarHBondContact O-N 2.98Å; A27-A29 PolarHBondContact O-N 3.37Å; A27-A29 VanDerWaalsContact O-N 3.16Å; A27-S30 PolarHBondContact O-N 3.05Å; A27-E31 PolarHBondContact O-N 2.82Å
28P91.6Very high92.4Very high82 Ų8280.3 Ų80.353%0.53246%0.462SS..G310 helixtrans-58.1-35.1-173.7-21.130.5000113.3S30 E31P28-S30 PolarHBondContact O-N 3.35Å; P28-E31 WeakPolarHBondContact O-CB 3.46Å; P28-E31 PolarHBondContact O-N 3.33Å
29A94.3Very high92.1Very high106 Ų10678.9 Ų78.988%0.87645%0.45SS*.G310 helixtrans-61.7-25.5177.700000113.5A27A27-A29 PolarHBondContact O-N 3.37Å; A27-A29 VanDerWaalsContact O-N 3.16Å
30S92.5Very high91.8Very high49 Ų4977.4 Ų77.434%0.34345%0.446SS..G310 helixtrans-100.83-179-58.80000112.9A27 P28 K32 L33 F34A27-S30 PolarHBondContact O-N 3.05Å; P28-S30 PolarHBondContact O-N 3.35Å; S30-K32 VanDerWaalsContact C-N 3.32Å; S30-K32 PolarHBondContact O-N 3.2Å; S30-L33 WeakPolarHBondContact O-CA 3.37Å; S30-L33 VanDerWaalsContact O-CB 3.24Å; S30-L33 WeakPolarHBondContact O-CB 3.3Å; S30-L33 PolarHBondContact O-N 3.45Å; S30-F34 WeakPolarHBondContact O-CD2 3.46Å; S30-F34 PolarHBondContact O-N 2.97Å
31E90.2Very high91.5Very high59 Ų5983.3 Ų83.328%0.27647%0.466SS..Hα-helixtrans-54.2-46.9-175.3-174.9-178.9169.700112.4K24 A27 P28 L33 F34 E35K24-E31 WeakPolarHBondContact CE-OE1 3.33Å; K24-E31 VanDerWaalsContact CG-CD 3.44Å; K24-E31 HydrophobicContact CG-CG 4.2Å; K24-E31 VanDerWaalsContact CG-OE1 3.32Å; K24-E31 WeakPolarHBondContact CG-OE1 3.42Å; K24-E31 IonicContact NZ-OE1 2.88Å; A27-E31 PolarHBondContact O-N 2.82Å; P28-E31 WeakPolarHBondContact O-CB 3.46Å; P28-E31 PolarHBondContact O-N 3.33Å; E31-L33 PolarHBondContact O-N 3.11Å; E31-F34 PolarHBondContact O-N 3.33Å; E31-F34 VanDerWaalsContact O-N 3.09Å; E31-E35 PolarHBondContact O-N 3.46Å
32K91.9Very high91.3Very high172 Ų17289.9 Ų89.975%0.74848%0.478SS*.Hα-helixtrans-59.7-32.5177.3-68.6-173.3177-177.70113.2S30 E35 S36S30-K32 VanDerWaalsContact C-N 3.32Å; S30-K32 PolarHBondContact O-N 3.2Å; K32-E35 PolarHBondContact O-N 3.34Å; K32-S36 PolarHBondContact O-N 2.98Å; K32-S36 VanDerWaalsContact O-N 3.1Å
33L92.3Very high91Very high115 Ų11589.4 Ų89.460%0.60247%0.471SS*.Hα-helixtrans-64.5-47176.3-17965.7000109.9S30 E31 E35 S36S30-L33 WeakPolarHBondContact O-CA 3.37Å; S30-L33 VanDerWaalsContact O-CB 3.24Å; S30-L33 WeakPolarHBondContact O-CB 3.3Å; S30-L33 PolarHBondContact O-N 3.45Å; E31-L33 PolarHBondContact O-N 3.11Å; L33-E35 VanDerWaalsContact C-N 3.35Å; L33-E35 PolarHBondContact O-N 3.35Å; L33-S36 PolarHBondContact O-N 3.16Å; L33-S36 PolarHBondContact O-OG 3.34Å
34F90.8Very high90.6Very high76 Ų7690 Ų9033%0.33347%0.474SS..Hα-helixtrans-66.6-35.5176.9-65-72.6000112.7I19 L20 A23 S30 E31 S36 V37I19-F34 HydrophobicContact CG2-CB 4.07Å; I19-F34 HydrophobicContact CG2-CD1 3.43Å; I19-F34 VanDerWaalsContact CG2-CD1 3.43Å; I19-F34 HydrophobicContact CG2-CE1 4.04Å; I19-F34 HydrophobicContact CG2-CG 3.88Å; L20-F34 HydrophobicContact CD2-CB 3.94Å; A23-F34 HydrophobicContact CB-CB 4.5Å; A23-F34 HydrophobicContact CB-CD2 3.43Å; A23-F34 VanDerWaalsContact CB-CD2 3.43Å; A23-F34 HydrophobicContact CB-CE2 3.85Å; A23-F34 HydrophobicContact CB-CG 4.13Å; S30-F34 WeakPolarHBondContact O-CD2 3.46Å; S30-F34 PolarHBondContact O-N 2.97Å; E31-F34 PolarHBondContact O-N 3.33Å; E31-F34 VanDerWaalsContact O-N 3.09Å; F34-S36 VanDerWaalsContact C-N 3.3Å; F34-S36 PolarHBondContact O-N 3.08Å; F34-V37 PolarHBondContact O-N 2.91Å
35E90.5Very high90.3Very high117 Ų11786.5 Ų86.555%0.54747%0.465SS..Hα-helixtrans-61.5-39176.1-169.2175.4-159.700112K16 L20 E31 K32 L33 V37K16-E35 WeakPolarHBondContact CE-O 3.44Å; K16-E35 PolarHBondContact NZ-O 2.89Å; L20-E35 HydrophobicContact CD2-CB 4.1Å; E31-E35 PolarHBondContact O-N 3.46Å; K32-E35 PolarHBondContact O-N 3.34Å; L33-E35 VanDerWaalsContact C-N 3.35Å; L33-E35 PolarHBondContact O-N 3.35Å; E35-V37 PolarHBondContact O-N 3.16Å
36S91.5Very high90.2Very high88 Ų8883 Ų8362%0.61545%0.447SS*.Hα-helixtrans-68.5-18.2178.374.50000114.4K32 L33 F34 S38K32-S36 PolarHBondContact O-N 2.98Å; K32-S36 VanDerWaalsContact O-N 3.1Å; L33-S36 PolarHBondContact O-N 3.16Å; L33-S36 PolarHBondContact O-OG 3.34Å; F34-S36 VanDerWaalsContact C-N 3.3Å; F34-S36 PolarHBondContact O-N 3.08Å; S36-S38 PolarHBondContact O-N 3.02Å; S36-S38 VanDerWaalsContact O-N 3.15Å
37V88.8Confident89.9Confident56 Ų5681.5 Ų81.534%0.33943%0.431SS..  trans-73.4109176.7-177.40000109.5K16 F34 E35 L39K16-V37 VanDerWaalsContact CE-O 3.3Å; K16-V37 WeakPolarHBondContact CE-O 3.48Å; K16-V37 PolarHBondContact NZ-O 3.49Å; F34-V37 PolarHBondContact O-N 2.91Å; E35-V37 PolarHBondContact O-N 3.16Å; V37-L39 HydrophobicContact CG1-CD2 4.01Å; V37-L39 HydrophobicContact CG1-CG 4.2Å; V37-L39 PolarHBondContact O-N 3.08Å
38S87.4Confident89.7Confident42 Ų4283 Ų8329%0.29443%0.434SS..  trans-76.8122.4170.1177.40000110.7S36 T43S36-S38 PolarHBondContact O-N 3.02Å; S36-S38 VanDerWaalsContact O-N 3.15Å; S38-T43 WeakPolarHBondContact O-CG2 3.46Å; S38-T43 WeakPolarHBondContact OG-CB 3.36Å; S38-T43 PolarHBondContact OG-OG1 3.39Å
39L86.7Confident89.7Confident30 Ų3082.5 Ų82.516%0.15743%0.429CS..  trans-115.321.7171.4-63.3-175.8000111.8G12 V15 K16 V37G12-L39 WeakPolarHBondContact CA-O 3.5Å; G12-L39 VanDerWaalsContact O-CB 3.3Å; G12-L39 WeakPolarHBondContact O-CB 3.47Å; V15-L39 HydrophobicContact CG1-CD1 4.17Å; K16-L39 HydrophobicContact CB-CB 4.46Å; K16-L39 HydrophobicContact CB-CD1 4.06Å; V37-L39 HydrophobicContact CG1-CD2 4.01Å; V37-L39 HydrophobicContact CG1-CG 4.2Å; V37-L39 PolarHBondContact O-N 3.08Å
40S86.5Confident89.8Confident38 Ų3882.3 Ų82.327%0.26641%0.413SS..  trans-58152.2175.678.20000110.6R42 T43 V44S40-R42 PolarHBondContact O-N 2.96Å; S40-R42 VanDerWaalsContact O-N 3.16Å; S40-T43 PolarHBondContact O-N 3.45Å; S40-T43 VanDerWaalsContact O-N 3.11Å; S40-T43 WeakPolarHBondContact OG-CB 3.39Å; S40-T43 PolarHBondContact OG-N 3.38Å; S40-T43 VanDerWaalsContact OG-N 3.08Å; S40-T43 PolarHBondContact OG-OG1 3.42Å; S40-V44 WeakPolarHBondContact O-CG2 3.48Å; S40-V44 PolarHBondContact O-N 2.89Å
41R86.4Confident89.8Confident160 Ų16085.2 Ų85.260%0.60442%0.424SS*.Hα-helixtrans-49-44.3176.3179.3-177.5-59-175.15.7112.2H9 S45H9-R41 HydrophobicContact CB-CB 4.38Å; H9-R41 HydrophobicContact CB-CG 3.86Å; R41-S45 WeakPolarHBondContact O-CB 3.43Å; R41-S45 PolarHBondContact O-N 2.89Å
42R89Confident89.9Confident192 Ų19284.8 Ų84.873%0.72543%0.431SS*.Hα-helixtrans-64.8-51.3179.7-174.7176-180174.52.9111.2S40 V44 S45 D46S40-R42 PolarHBondContact O-N 2.96Å; S40-R42 VanDerWaalsContact O-N 3.16Å; R42-V44 VanDerWaalsContact C-N 3.32Å; R42-V44 PolarHBondContact O-N 3.48Å; R42-S45 WeakPolarHBondContact O-CA 3.35Å; R42-S45 WeakPolarHBondContact O-CB 3.39Å; R42-S45 PolarHBondContact O-N 3.34Å; R42-S45 VanDerWaalsContact O-N 3.08Å; R42-D46 PolarHBondContact O-N 3.48Å
43T87.9Confident90.1Very high33 Ų3380 Ų8020%0.20241%0.413CS..Hα-helixtrans-60.1-40.9178.4-56.80000112.5S38 S40 S45 R47S38-T43 WeakPolarHBondContact O-CG2 3.46Å; S38-T43 WeakPolarHBondContact OG-CB 3.36Å; S38-T43 PolarHBondContact OG-OG1 3.39Å; S40-T43 PolarHBondContact O-N 3.45Å; S40-T43 VanDerWaalsContact O-N 3.11Å; S40-T43 WeakPolarHBondContact OG-CB 3.39Å; S40-T43 PolarHBondContact OG-N 3.38Å; S40-T43 VanDerWaalsContact OG-N 3.08Å; S40-T43 PolarHBondContact OG-OG1 3.42Å; T43-S45 VanDerWaalsContact C-N 3.33Å; T43-R47 HydrophobicContact CG2-CG 4.45Å; T43-R47 WeakPolarHBondContact O-CB 3.24Å; T43-R47 VanDerWaalsContact O-CG 3.26Å; T43-R47 WeakPolarHBondContact O-CG 3.44Å; T43-R47 PolarHBondContact O-N 3.24Å
44V85.9Confident90.4Very high18 Ų1878.7 Ų78.711%0.10941%0.407CS..Hα-helixtrans-63.3-42.5176.1173.40000110.5H9 S40 R42 I48H9-V44 HydrophobicContact CB-CB 4.5Å; H9-V44 HydrophobicContact CB-CG1 4.29Å; S40-V44 WeakPolarHBondContact O-CG2 3.48Å; S40-V44 PolarHBondContact O-N 2.89Å; R42-V44 VanDerWaalsContact C-N 3.32Å; R42-V44 PolarHBondContact O-N 3.48Å; V44-I48 HydrophobicContact CG1-CD1 3.98Å; V44-I48 WeakPolarHBondContact O-CD1 3.34Å; V44-I48 VanDerWaalsContact O-CG1 3.26Å; V44-I48 WeakPolarHBondContact O-CG1 3.39Å; V44-I48 PolarHBondContact O-N 2.92Å; V44-I48 VanDerWaalsContact O-N 3.11Å
45S88.2Confident90.5Very high50 Ų5080.5 Ų80.535%0.3542%0.419SS..Hα-helixtrans-62-51.4175.8-164.60000111.9R41 R42 T43 R47 I48 T49R41-S45 WeakPolarHBondContact O-CB 3.43Å; R41-S45 PolarHBondContact O-N 2.89Å; R42-S45 WeakPolarHBondContact O-CA 3.35Å; R42-S45 WeakPolarHBondContact O-CB 3.39Å; R42-S45 PolarHBondContact O-N 3.34Å; R42-S45 VanDerWaalsContact O-N 3.08Å; T43-S45 VanDerWaalsContact C-N 3.33Å; S45-R47 VanDerWaalsContact C-N 3.3Å; S45-R47 PolarHBondContact O-N 3.17Å; S45-I48 WeakPolarHBondContact O-CB 3.36Å; S45-I48 PolarHBondContact O-N 2.87Å; S45-T49 PolarHBondContact O-N 3.38Å; S45-T49 PolarHBondContact O-OG1 2.85Å
46D91.4Very high90.8Very high74 Ų7476.7 Ų76.740%0.39640%0.401SS..Hα-helixtrans-57.9-44.4-179-62.7-16.8000110.3R42 I48 T49 D50R42-D46 PolarHBondContact O-N 3.48Å; D46-I48 VanDerWaalsContact C-N 3.33Å; D46-I48 PolarHBondContact O-N 3.48Å; D46-T49 WeakPolarHBondContact O-CB 3.38Å; D46-T49 PolarHBondContact O-N 2.91Å; D46-D50 VanDerWaalsContact O-CG 3.25Å; D46-D50 PolarHBondContact O-N 2.8Å
47R90.1Very high91Very high120 Ų12077.7 Ų77.745%0.45340%0.395SS..Hα-helixtrans-63.1-35.8176-73.6176.5-178.7-172.11.6113.6T43 S45 L51T43-R47 HydrophobicContact CG2-CG 4.45Å; T43-R47 WeakPolarHBondContact O-CB 3.24Å; T43-R47 VanDerWaalsContact O-CG 3.26Å; T43-R47 WeakPolarHBondContact O-CG 3.44Å; T43-R47 PolarHBondContact O-N 3.24Å; S45-R47 VanDerWaalsContact C-N 3.3Å; S45-R47 PolarHBondContact O-N 3.17Å; R47-L51 WeakPolarHBondContact O-CB 3.48Å; R47-L51 WeakPolarHBondContact O-CG 2.93Å; R47-L51 PolarHBondContact O-N 3.42Å
48I89.1Confident91.4Very high66 Ų6678 Ų7834%0.33840%0.397SS..Hα-helixtrans-66.6-43.3175.9-71163.8000109.4A3 V44 S45 D46 L51 A52A3-I48 HydrophobicContact CB-CD1 3.97Å; V44-I48 HydrophobicContact CG1-CD1 3.98Å; V44-I48 WeakPolarHBondContact O-CD1 3.34Å; V44-I48 VanDerWaalsContact O-CG1 3.26Å; V44-I48 WeakPolarHBondContact O-CG1 3.39Å; V44-I48 PolarHBondContact O-N 2.92Å; V44-I48 VanDerWaalsContact O-N 3.11Å; S45-I48 WeakPolarHBondContact O-CB 3.36Å; S45-I48 PolarHBondContact O-N 2.87Å; D46-I48 VanDerWaalsContact C-N 3.33Å; D46-I48 PolarHBondContact O-N 3.48Å; I48-L51 PolarHBondContact O-N 3.23Å; I48-A52 WeakPolarHBondContact O-CB 3.38Å; I48-A52 PolarHBondContact O-N 2.95Å
49T92.6Very high91.8Very high71 Ų7176.8 Ų76.844%0.43639%0.387SS..Hα-helixtrans-61.4-48.1175.1-60.40000111.3S45 D46 L51 A52 D53S45-T49 PolarHBondContact O-N 3.38Å; S45-T49 PolarHBondContact O-OG1 2.85Å; D46-T49 WeakPolarHBondContact O-CB 3.38Å; D46-T49 PolarHBondContact O-N 2.91Å; T49-L51 VanDerWaalsContact C-N 3.31Å; T49-L51 PolarHBondContact O-N 2.66Å; T49-A52 PolarHBondContact O-N 3.49Å; T49-A52 VanDerWaalsContact O-N 3.13Å; T49-D53 WeakPolarHBondContact O-CB 3.49Å; T49-D53 PolarHBondContact O-N 2.98Å
50D95.2Very high92.3Very high102 Ų10278.9 Ų78.955%0.54540%0.395SS..Hα-helixtrans-58.1-42.9178.2-68.6-22.5000111.9D46 D54D46-D50 VanDerWaalsContact O-CG 3.25Å; D46-D50 PolarHBondContact O-N 2.8Å; D50-D54 WeakPolarHBondContact O-CB 3.37Å; D50-D54 PolarHBondContact O-N 2.88Å
51L93.7Very high92.7Very high110 Ų11084.5 Ų84.558%0.57641%0.41SS*.Hα-helixtrans-67.3-40.9176.5-72.8171.5000112.1R47 I48 T49 D53 D54 I55R47-L51 WeakPolarHBondContact O-CB 3.48Å; R47-L51 WeakPolarHBondContact O-CG 2.93Å; R47-L51 PolarHBondContact O-N 3.42Å; I48-L51 PolarHBondContact O-N 3.23Å; T49-L51 VanDerWaalsContact C-N 3.31Å; T49-L51 PolarHBondContact O-N 2.66Å; L51-D53 VanDerWaalsContact C-N 3.34Å; L51-D54 PolarHBondContact O-N 2.98Å; L51-I55 WeakPolarHBondContact O-CB 3.07Å; L51-I55 VanDerWaalsContact O-CG1 3.24Å; L51-I55 WeakPolarHBondContact O-CG1 3.41Å; L51-I55 PolarHBondContact O-N 3.46Å
52A93Very high93Very high50 Ų5078.7 Ų78.741%0.41339%0.392SS..Hα-helixtrans-63-43.5176.600000111.1I48 T49 D54 I55 E56I48-A52 WeakPolarHBondContact O-CB 3.38Å; I48-A52 PolarHBondContact O-N 2.95Å; T49-A52 PolarHBondContact O-N 3.49Å; T49-A52 VanDerWaalsContact O-N 3.13Å; A52-D54 VanDerWaalsContact C-N 3.35Å; A52-D54 PolarHBondContact O-N 3.23Å; A52-I55 PolarHBondContact O-N 3.02Å; A52-E56 WeakPolarHBondContact O-CB 3.24Å; A52-E56 PolarHBondContact O-N 3.32Å
53D95.9Very high93.4Very high71 Ų7169.8 Ų69.838%0.3836%0.36SS..Hα-helixtrans-63.2-39.7176.6-76-3.4000111.9T49 L51 K57T49-D53 WeakPolarHBondContact O-CB 3.49Å; T49-D53 PolarHBondContact O-N 2.98Å; L51-D53 VanDerWaalsContact C-N 3.34Å; D53-K57 WeakPolarHBondContact O-CB 3.41Å; D53-K57 WeakPolarHBondContact O-CD 3.42Å; D53-K57 WeakPolarHBondContact O-CG 3.37Å; D53-K57 PolarHBondContact O-N 3.4Å
54D97Very high93.7Very high88 Ų8871.3 Ų71.347%0.47138%0.376SS..Hα-helixtrans-68.4-42.4177-171.964.4000112.4D50 L51 A52 K57 T58D50-D54 WeakPolarHBondContact O-CB 3.37Å; D50-D54 PolarHBondContact O-N 2.88Å; L51-D54 PolarHBondContact O-N 2.98Å; A52-D54 VanDerWaalsContact C-N 3.35Å; A52-D54 PolarHBondContact O-N 3.23Å; D54-K57 PolarHBondContact O-N 3.47Å; D54-T58 WeakPolarHBondContact O-CB 3.22Å; D54-T58 PolarHBondContact O-N 3.37Å; D54-T58 PolarHBondContact O-OG1 3.3Å
55I94.7Very high94.2Very high115 Ų11575.5 Ų75.559%0.5940%0.398SS*.Hα-helixtrans-60.9-47173.3-69.7166000110L51 A52 K57 T58 L59L51-I55 WeakPolarHBondContact O-CB 3.07Å; L51-I55 VanDerWaalsContact O-CG1 3.24Å; L51-I55 WeakPolarHBondContact O-CG1 3.41Å; L51-I55 PolarHBondContact O-N 3.46Å; A52-I55 PolarHBondContact O-N 3.02Å; I55-K57 PolarHBondContact O-N 2.74Å; I55-T58 PolarHBondContact O-N 2.96Å; I55-L59 WeakPolarHBondContact O-CB 3.31Å; I55-L59 PolarHBondContact O-N 2.92Å
56E95.5Very high94.7Very high36 Ų3673.2 Ų73.217%0.16838%0.381CS..Hα-helixtrans-61.6-44.8178.2175.2169.4175.200111.6A52 T58 L59 K60 R127 F128A52-E56 WeakPolarHBondContact O-CB 3.24Å; A52-E56 PolarHBondContact O-N 3.32Å; E56-T58 VanDerWaalsContact C-N 3.32Å; E56-T58 PolarHBondContact O-N 3.31Å; E56-L59 PolarHBondContact O-N 3.14Å; E56-K60 HydrophobicContact CG-CD 4.38Å; E56-K60 WeakPolarHBondContact O-CG 3.49Å; E56-K60 PolarHBondContact O-N 3.06Å; E56-K60 WeakPolarHBondContact OE1-CE 3.17Å; E56-K60 IonicContact OE1-NZ 3.91Å; E56-K60 PolarHBondContact OE1-NZ 3.13Å; E56-R127 IonicContact OE1-CZ 3.74Å; E56-R127 IonicContact OE1-NE 3.36Å; E56-R127 PolarHBondContact OE1-NE 3.37Å; E56-R127 IonicContact OE1-NH2 2.95Å; E56-R127 IonicContact OE2-CZ 3.67Å; E56-R127 IonicContact OE2-NE 3.89Å; E56-R127 PolarHBondContact OE2-NE 2.89Å; E56-R127 IonicContact OE2-NH2 3.63Å; E56-R127 PolarHBondContact OE2-NH2 3.03Å; E56-F128 HydrophobicContact CG-CE1 3.9Å; E56-F128 HydrophobicContact CG-CZ 4.31Å
57K96.9Very high95Very high110 Ų11074.9 Ų74.948%0.47839%0.387SS..Hα-helixtrans-60.9-42175.6-75.9166.1-170.6163.30111.7D53 D54 I55 K60 R61D53-K57 WeakPolarHBondContact O-CB 3.41Å; D53-K57 WeakPolarHBondContact O-CD 3.42Å; D53-K57 WeakPolarHBondContact O-CG 3.37Å; D53-K57 PolarHBondContact O-N 3.4Å; D54-K57 PolarHBondContact O-N 3.47Å; I55-K57 PolarHBondContact O-N 2.74Å; K57-K60 PolarHBondContact O-N 3.16Å; K57-R61 WeakPolarHBondContact O-CG 3.1Å; K57-R61 PolarHBondContact O-N 3.38Å; K57-R61 VanDerWaalsContact O-N 3.08Å
58T96.2Very high95.3Very high63 Ų6372.9 Ų72.939%0.38738%0.384SS..Hα-helixtrans-63.4-47.8177.5-62.40000110.5D54 I55 E56 K60 R61 T62D54-T58 WeakPolarHBondContact O-CB 3.22Å; D54-T58 PolarHBondContact O-N 3.37Å; D54-T58 PolarHBondContact O-OG1 3.3Å; I55-T58 PolarHBondContact O-N 2.96Å; E56-T58 VanDerWaalsContact C-N 3.32Å; E56-T58 PolarHBondContact O-N 3.31Å; T58-K60 VanDerWaalsContact C-N 3.33Å; T58-K60 PolarHBondContact O-N 3.38Å; T58-R61 PolarHBondContact O-N 3.43Å; T58-R61 VanDerWaalsContact O-N 3.16Å; T58-T62 PolarHBondContact O-N 2.96Å; T58-T62 PolarHBondContact O-OG1 2.78Å
59L95.8Very high95.7Very high16 Ų1669.9 Ų69.98%0.08437%0.369CS..Hα-helixtrans-61-40177.3-176.955.4000112.1I55 E56 R61 T62 A63 E101 L103 F128I55-L59 WeakPolarHBondContact O-CB 3.31Å; I55-L59 PolarHBondContact O-N 2.92Å; E56-L59 PolarHBondContact O-N 3.14Å; L59-R61 PolarHBondContact O-N 3.44Å; L59-T62 PolarHBondContact O-N 3.43Å; L59-A63 VanDerWaalsContact O-CB 3.22Å; L59-A63 WeakPolarHBondContact O-CB 3.23Å; L59-A63 PolarHBondContact O-N 2.85Å; L59-E101 HydrophobicContact CD1-CB 3.7Å; L59-E101 HydrophobicContact CD1-CG 3.83Å; L59-L103 HydrophobicContact CD2-CD1 4.31Å; L59-F128 HydrophobicContact CB-CD1 4.44Å; L59-F128 HydrophobicContact CB-CE1 4.15Å; L59-F128 HydrophobicContact CD2-CD1 4.09Å; L59-F128 HydrophobicContact CD2-CE1 3.59Å; L59-F128 HydrophobicContact CD2-CZ 4.06Å; L59-F128 HydrophobicContact CG-CD1 3.98Å; L59-F128 HydrophobicContact CG-CE1 3.87Å
60K96.8Very high96Very high73 Ų7368 Ų6832%0.31736%0.358SS..Hα-helixtrans-60.4-43.7173.8-75.4-177.1-168-171.50112.8E56 K57 T58 A63 A64 R127 F128E56-K60 HydrophobicContact CG-CD 4.38Å; E56-K60 WeakPolarHBondContact O-CG 3.49Å; E56-K60 PolarHBondContact O-N 3.06Å; E56-K60 WeakPolarHBondContact OE1-CE 3.17Å; E56-K60 IonicContact OE1-NZ 3.91Å; E56-K60 PolarHBondContact OE1-NZ 3.13Å; K57-K60 PolarHBondContact O-N 3.16Å; T58-K60 VanDerWaalsContact C-N 3.33Å; T58-K60 PolarHBondContact O-N 3.38Å; K60-A63 PolarHBondContact O-N 3.38Å; K60-A64 WeakPolarHBondContact O-CB 3.28Å; K60-A64 PolarHBondContact O-N 2.88Å; K60-R127 WeakPolarHBondContact CE-O 3.4Å; K60-R127 PolarHBondContact NZ-O 3.13Å; K60-F128 HydrophobicContact CG-CD1 3.69Å; K60-F128 HydrophobicContact CG-CE1 4.32Å
61R95.2Very high96.1Very high156 Ų15663.1 Ų63.159%0.58933%0.332SS*.Hα-helixtrans-63.4-43.9176.6-68.8171.1-169.9150.31.2110.9K57 T58 L59 A64 N65K57-R61 WeakPolarHBondContact O-CG 3.1Å; K57-R61 PolarHBondContact O-N 3.38Å; K57-R61 VanDerWaalsContact O-N 3.08Å; T58-R61 PolarHBondContact O-N 3.43Å; T58-R61 VanDerWaalsContact O-N 3.16Å; L59-R61 PolarHBondContact O-N 3.44Å; R61-A64 PolarHBondContact O-N 2.96Å; R61-N65 PolarHBondContact O-N 3.27Å
62T93.9Very high96.2Very high38 Ų3859.4 Ų59.423%0.23332%0.317CS..Hα-helixtrans-64-44.9176.8-58.10000111.5T58 L59 A64 N65 F66 R99T58-T62 PolarHBondContact O-N 2.96Å; T58-T62 PolarHBondContact O-OG1 2.78Å; L59-T62 PolarHBondContact O-N 3.43Å; T62-A64 VanDerWaalsContact C-N 3.33Å; T62-A64 PolarHBondContact O-N 3.14Å; T62-N65 PolarHBondContact O-N 3.1Å; T62-N65 VanDerWaalsContact O-N 3.13Å; T62-F66 HydrophobicContact CG2-CE1 3.98Å; T62-F66 HydrophobicContact CG2-CE2 4.39Å; T62-F66 HydrophobicContact CG2-CZ 3.64Å; T62-R99 HydrophobicContact CG2-CB 4.42Å; T62-R99 HydrophobicContact CG2-CG 4.19Å
63A96Very high96.3Very high6 Ų657.2 Ų57.25%0.0530%0.299CS..Hα-helixtrans-60.5-40.5177.700000112.6L59 K60 N65 F66 L89 L130L59-A63 VanDerWaalsContact O-CB 3.22Å; L59-A63 WeakPolarHBondContact O-CB 3.23Å; L59-A63 PolarHBondContact O-N 2.85Å; K60-A63 PolarHBondContact O-N 3.38Å; A63-N65 PolarHBondContact O-N 3.18Å; A63-F66 HydrophobicContact CB-CD2 4.45Å; A63-F66 HydrophobicContact CB-CE2 4.5Å; A63-F66 PolarHBondContact O-N 2.91Å; A63-L89 HydrophobicContact CB-CD2 4.27Å; A63-L130 HydrophobicContact CB-CD2 3.88Å; A63-L130 HydrophobicContact CB-CG 4.43Å
64A95.8Very high96.1Very high64 Ų6457.4 Ų57.453%0.52930%0.3SS..Hα-helixtrans-62.4-28.9176.800000113.1K60 R61 T62 F66K60-A64 WeakPolarHBondContact O-CB 3.28Å; K60-A64 PolarHBondContact O-N 2.88Å; R61-A64 PolarHBondContact O-N 2.96Å; T62-A64 VanDerWaalsContact C-N 3.33Å; T62-A64 PolarHBondContact O-N 3.14Å; A64-F66 VanDerWaalsContact C-N 3.35Å
65N95.6Very high95.8Very high106 Ų10656.3 Ų56.357%0.56729%0.292SS*.THydrogen-bonded Turntrans-85.5-3-179.8-66.1-12.3000113.7R61 T62 A63R61-N65 PolarHBondContact O-N 3.27Å; T62-N65 PolarHBondContact O-N 3.1Å; T62-N65 VanDerWaalsContact O-N 3.13Å; A63-N65 PolarHBondContact O-N 3.18Å
66F97.8Very high95.4Very high2 Ų254.1 Ų54.11%0.00928%0.284CS..EExtended strand (participates in β ladder)trans-74.2129.8175.6-65.2-37.2000110.8T62 A63 A64 F69 L89 G91 K92 T93 R99 K134T62-F66 HydrophobicContact CG2-CE1 3.98Å; T62-F66 HydrophobicContact CG2-CE2 4.39Å; T62-F66 HydrophobicContact CG2-CZ 3.64Å; A63-F66 HydrophobicContact CB-CD2 4.45Å; A63-F66 HydrophobicContact CB-CE2 4.5Å; A63-F66 PolarHBondContact O-N 2.91Å; A64-F66 VanDerWaalsContact C-N 3.35Å; F66-F69 HydrophobicContact CD2-CB 4.4Å; F66-L89 HydrophobicContact CD2-CD2 4.19Å; F66-L89 HydrophobicContact CE2-CD1 4.43Å; F66-L89 HydrophobicContact CE2-CD2 3.61Å; F66-L89 HydrophobicContact CE2-CG 3.95Å; F66-G91 VanDerWaalsContact CD1-C 3.47Å; F66-K92 CarbonylContact C-O 3.52Å; F66-K92 WeakPolarHBondContact CA-O 3.44Å; F66-T93 HydrophobicContact CD1-CG2 4.09Å; F66-T93 HydrophobicContact CE1-CG2 4.26Å; F66-R99 HydrophobicContact CE1-CB 3.86Å; F66-R99 HydrophobicContact CE1-CG 4.18Å; F66-R99 HydrophobicContact CZ-CB 3.75Å; F66-R99 HydrophobicContact CZ-CG 4.42Å; F66-K134 VanDerWaalsContact O-CD 3.3Å; F66-K134 WeakPolarHBondContact O-CD 3.47Å; F66-K134 WeakPolarHBondContact O-CE 3.31Å; F66-K134 PolarHBondContact O-NZ 3Å
67E97.6Very high94.6Very high110 Ų11056.7 Ų56.751%0.51430%0.303SS..EExtended strand (participates in β ladder)trans-76.1-37.6169.2-70.1-55.3137.200110.6K92 A94 K134E67-K92 PolarHBondContact N-O 3.27Å; E67-A94 HydrophobicContact CG-CB 4.14Å; E67-K134 WeakPolarHBondContact O-CG 3.45Å
68I97.4Very high93.7Very high78 Ų7853.8 Ų53.840%0.429%0.292SS..EExtended strand (participates in β ladder)trans-147.6147.9179.4-159.3172.6000109.3G91 K92 K134I68-G91 WeakPolarHBondContact O-CA 3.37Å; I68-K92 HydrophobicContact CG2-CB 4.11Å; I68-K92 PolarHBondContact O-N 3.3Å; I68-K134 WeakPolarHBondContact CA-O 3.49Å; I68-K134 WeakPolarHBondContact CG1-O 3.33Å
69F98.2Very high92.7Very high3 Ų359.2 Ų59.21%0.01332%0.317CS..EExtended strand (participates in β ladder)trans-146.5158.317770.2-89.2000112.8F66 L71 L89 R90 M125 L130 K131 K134 L135 S136F66-F69 HydrophobicContact CD2-CB 4.4Å; F69-L71 HydrophobicContact CD2-CD2 4.06Å; F69-L71 HydrophobicContact CD2-CG 4.1Å; F69-L71 HydrophobicContact CE2-CD1 4.11Å; F69-L71 HydrophobicContact CE2-CD2 4.1Å; F69-L71 HydrophobicContact CE2-CG 3.93Å; F69-L89 HydrophobicContact CB-CD1 3.71Å; F69-L89 HydrophobicContact CD2-CD1 3.55Å; F69-L89 HydrophobicContact CE2-CD1 4.44Å; F69-L89 HydrophobicContact CG-CD1 3.84Å; F69-R90 CarbonylContact C-O 3.45Å; F69-R90 VanDerWaalsContact CA-O 3.26Å; F69-R90 WeakPolarHBondContact CA-O 3.32Å; F69-R90 WeakPolarHBondContact CB-O 3.25Å; F69-M125 HydrophobicContact CE2-CE 4.45Å; F69-M125 HydrophobicContact CZ-CE 4.05Å; F69-L130 HydrophobicContact CD1-CD2 3.9Å; F69-L130 HydrophobicContact CD2-CD2 4.34Å; F69-L130 HydrophobicContact CE1-CB 4.11Å; F69-L130 HydrophobicContact CE1-CD2 3.84Å; F69-L130 HydrophobicContact CE2-CB 4.25Å; F69-L130 HydrophobicContact CE2-CD1 4.17Å; F69-L130 HydrophobicContact CE2-CD2 4.29Å; F69-L130 HydrophobicContact CE2-CG 4.49Å; F69-L130 HydrophobicContact CG-CD2 4.17Å; F69-L130 HydrophobicContact CZ-CB 3.74Å; F69-L130 HydrophobicContact CZ-CD1 4.46Å; F69-L130 HydrophobicContact CZ-CD2 4.07Å; F69-L130 HydrophobicContact CZ-CG 4.32Å; F69-K131 VanDerWaalsContact CE1-O 3.25Å; F69-K131 WeakPolarHBondContact CE1-O 3.3Å; F69-K131 WeakPolarHBondContact CZ-O 3.35Å; F69-K134 HydrophobicContact CD1-CB 3.81Å; F69-K134 WeakPolarHBondContact CD1-O 3.49Å; F69-K134 HydrophobicContact CE1-CB 3.66Å; F69-K134 PolarHBondContact N-O 3.34Å; F69-L135 HydrophobicContact CD2-CD1 3.98Å; F69-L135 HydrophobicContact CE2-CB 4.07Å; F69-L135 HydrophobicContact CE2-CD1 3.54Å; F69-L135 HydrophobicContact CE2-CG 4.39Å; F69-L135 HydrophobicContact CZ-CB 3.89Å; F69-L135 HydrophobicContact CZ-CD1 4.24Å; F69-L135 CarbonylContact O-C 3.6Å; F69-L135 WeakPolarHBondContact O-CA 3.32Å; F69-S136 PolarHBondContact O-N 3.47Å; F69-S136 PolarHBondContact O-OG 3.45Å
70S97.9Very high92Very high30 Ų3062.9 Ų62.921%0.2134%0.34CS..EExtended strand (participates in β ladder)trans-123151.7170.660.30000110.1R90 G137S70-R90 PolarHBondContact N-O 2.87Å; S70-R90 PolarHBondContact O-N 3.36Å; S70-R90 PolarHBondContact OG-O 3.31Å; S70-G137 CarbonylContact C-O 3.5Å; S70-G137 WeakPolarHBondContact CA-O 3.35Å; S70-G137 WeakPolarHBondContact CB-O 3.5Å
71L97.7Very high91.1Very high1 Ų166.2 Ų66.21%0.00536%0.362CS..EExtended strand (participates in β ladder)trans-111.4145.4175-60.6175.3000109.9F69 I87 F88 L89 L103 L121 M125 L130 L135 G137 L138 T139F69-L71 HydrophobicContact CD2-CD2 4.06Å; F69-L71 HydrophobicContact CD2-CG 4.1Å; F69-L71 HydrophobicContact CE2-CD1 4.11Å; F69-L71 HydrophobicContact CE2-CD2 4.1Å; F69-L71 HydrophobicContact CE2-CG 3.93Å; L71-I87 HydrophobicContact CD2-CG2 4.24Å; L71-F88 CarbonylContact C-O 3.5Å; L71-F88 VanDerWaalsContact CA-O 3.3Å; L71-F88 WeakPolarHBondContact CA-O 3.37Å; L71-L89 HydrophobicContact CD2-CB 4.29Å; L71-L89 HydrophobicContact CD2-CD1 3.75Å; L71-L103 HydrophobicContact CD2-CD2 4.16Å; L71-L121 HydrophobicContact CD1-CD1 3.72Å; L71-L121 HydrophobicContact CD1-CD2 4.45Å; L71-L121 HydrophobicContact CD1-CG 4.27Å; L71-M125 HydrophobicContact CD1-CG 3.95Å; L71-M125 HydrophobicContact CD1-SD 3.73Å; L71-L130 HydrophobicContact CD2-CD1 4.4Å; L71-L135 HydrophobicContact CB-CD1 4.48Å; L71-L135 HydrophobicContact CD1-CD1 4.05Å; L71-L135 HydrophobicContact CG-CD1 3.93Å; L71-G137 PolarHBondContact N-O 2.87Å; L71-L138 HydrophobicContact CB-CD1 4.11Å; L71-L138 CarbonylContact O-C 3.47Å; L71-L138 VanDerWaalsContact O-CA 3.28Å; L71-L138 WeakPolarHBondContact O-CA 3.48Å; L71-T139 PolarHBondContact O-N 3.37Å
72A96.6Very high90.6Very high31 Ų3160.5 Ų60.526%0.25634%0.344SS..EExtended strand (participates in β ladder)trans-120.2133163.100000108.5I87 F88 T139A72-I87 CarbonylContact O-C 3.51Å; A72-I87 WeakPolarHBondContact O-CA 3.5Å; A72-F88 HydrophobicContact CB-CB 4.25Å; A72-F88 PolarHBondContact N-O 3.16Å; A72-F88 PolarHBondContact O-N 2.93Å; A72-T139 WeakPolarHBondContact CA-O 3.5Å; A72-T139 HydrophobicContact CB-CG2 4.48Å
73S94.7Very high90.4Very high5 Ų559.3 Ų59.34%0.03534%0.338CS..EExtended strand (participates in β ladder)trans-127.3133.7-177.9-60.20000110.3A86 T139 M146S73-A86 WeakPolarHBondContact CA-O 3.47Å; S73-T139 PolarHBondContact N-O 3.4Å; S73-M146 WeakPolarHBondContact O-CE 3.4Å
74D92.1Very high90.3Very high74 Ų7460.8 Ų60.840%0.39634%0.344SS..EExtended strand (participates in β ladder)trans-139139.3177.8-166.522.4000110A86D74-A86 PolarHBondContact N-O 3.19Å; D74-A86 PolarHBondContact O-N 3.06Å
75E90.1Very high90.2Very high66 Ų6657.8 Ų57.831%0.30832%0.319SS..EExtended strand (participates in β ladder)trans-95126.3176.1-172.8-97.512900109A83 M108 T112E75-A83 HydrophobicContact CG-CB 4.5Å; E75-A83 WeakPolarHBondContact OE1-CB 3.3Å; E75-M108 HydrophobicContact CB-CE 4.36Å; E75-M108 HydrophobicContact CG-CE 3.44Å; E75-M108 VanDerWaalsContact CG-CE 3.44Å; E75-T112 HydrophobicContact CG-CG2 4.14Å
76T85.5Confident90.2Very high69 Ų6953.2 Ų53.242%0.42330%0.296SS..EExtended strand (participates in β ladder)trans-132.3154.1179-165.60000110.6A83 Q84T76-A83 CarbonylContact O-C 3.55Å; T76-A83 WeakPolarHBondContact O-CA 3.37Å; T76-Q84 HydrophobicContact CG2-CB 3.97Å; T76-Q84 PolarHBondContact N-O 3.19Å; T76-Q84 PolarHBondContact O-N 3.07Å
77T79.9Confident90.2Very high90 Ų9053.1 Ų53.155%0.55230%0.295SS*.EExtended strand (participates in β ladder)trans-103.3131.8176.249.70000110.6
78D77.5Confident90.1Very high49 Ų4952.8 Ų52.826%0.26229%0.292SS..  trans-80176173.773.223.3000112.4T80 N81 T82 Q84D78-T80 PolarHBondContact O-N 3.39Å; D78-T80 WeakPolarHBondContact OD1-CA 3.33Å; D78-T80 WeakPolarHBondContact OD1-CB 3.39Å; D78-T80 PolarHBondContact OD1-N 2.89Å; D78-T80 PolarHBondContact OD1-OG1 3.24Å; D78-T80 PolarHBondContact OD2-OG1 3.4Å; D78-N81 PolarHBondContact O-N 2.97Å; D78-N81 PolarHBondContact OD1-N 2.97Å; D78-T82 PolarHBondContact N-O 2.93Å; D78-T82 PolarHBondContact OD1-N 3.22Å; D78-T82 WeakPolarHBondContact OD2-CB 3.38Å; D78-Q84 HydrophobicContact CB-CG 4.1Å; D78-Q84 PolarHBondContact OD2-NE2 3.23Å
79I75.5Confident90.1Very high176 Ų17649.2 Ų49.290%0.90327%0.274SS*.THydrogen-bonded Turntrans-62.7-14.6-178.761.2170.8000114.1
80T79.9Confident90.1Very high94 Ų9455.2 Ų55.258%0.57730%0.297SS*.THydrogen-bonded Turntrans-95.46.2176.669.60000112.5D78 T82D78-T80 PolarHBondContact O-N 3.39Å; D78-T80 WeakPolarHBondContact OD1-CA 3.33Å; D78-T80 WeakPolarHBondContact OD1-CB 3.39Å; D78-T80 PolarHBondContact OD1-N 2.89Å; D78-T80 PolarHBondContact OD1-OG1 3.24Å; D78-T80 PolarHBondContact OD2-OG1 3.4Å; T80-T82 PolarHBondContact O-N 3.49Å; T80-T82 PolarHBondContact OG1-OG1 3.3Å
81N79Confident90.1Very high143 Ų14354 Ų5477%0.76529%0.288SS*.SBendtrans61.122.5-169.7-60.7-33.2000113.6D78D78-N81 PolarHBondContact O-N 2.97Å; D78-N81 PolarHBondContact OD1-N 2.97Å
82T84.9Confident90.1Very high35 Ų3557.7 Ų57.722%0.21530%0.304CS..  trans-83.3129.3169.6-55.40000108.2D78 T80D78-T82 PolarHBondContact N-O 2.93Å; D78-T82 PolarHBondContact OD1-N 3.22Å; D78-T82 WeakPolarHBondContact OD2-CB 3.38Å; T80-T82 PolarHBondContact O-N 3.49Å; T80-T82 PolarHBondContact OG1-OG1 3.3Å
83A89Confident90.1Very high13 Ų1356.9 Ų56.911%0.10730%0.297CS..EExtended strand (participates in β ladder)trans-71140.2174.300000109.9E75 T76 M108 T112E75-A83 HydrophobicContact CG-CB 4.5Å; E75-A83 WeakPolarHBondContact OE1-CB 3.3Å; T76-A83 CarbonylContact O-C 3.55Å; T76-A83 WeakPolarHBondContact O-CA 3.37Å; A83-M108 HydrophobicContact CB-CB 4.12Å; A83-M108 HydrophobicContact CB-CE 3.96Å; A83-M108 PolarHBondContact O-N 2.93Å; A83-T112 HydrophobicContact CB-CG2 3.48Å; A83-T112 VanDerWaalsContact CB-CG2 3.48Å
84Q92.8Very high90.1Very high38 Ų3859.2 Ų59.218%0.17832%0.316CS..EExtended strand (participates in β ladder)trans-131.6126.7-176.7-61.7-73.6-12.500107.2T76 D78 E106T76-Q84 HydrophobicContact CG2-CB 3.97Å; T76-Q84 PolarHBondContact N-O 3.19Å; T76-Q84 PolarHBondContact O-N 3.07Å; D78-Q84 HydrophobicContact CB-CG 4.1Å; D78-Q84 PolarHBondContact OD2-NE2 3.23Å; Q84-E106 CarbonylContact C-O 3.49Å; Q84-E106 WeakPolarHBondContact CA-O 3.44Å
85L94.9Very high90.2Very high0 Ų062.3 Ų62.30%033%0.328CS..EExtended strand (participates in β ladder)trans-91.1112.6173.2179.467.5000108.3I87 L105 E106 M108 I117 K120 M146L85-I87 HydrophobicContact CD2-CD1 3.94Å; L85-I87 HydrophobicContact CD2-CG1 4.05Å; L85-I87 HydrophobicContact CG-CD1 4.33Å; L85-I87 HydrophobicContact CG-CG1 3.92Å; L85-L105 WeakPolarHBondContact O-CA 3.5Å; L85-E106 HydrophobicContact CB-CB 4.24Å; L85-E106 PolarHBondContact N-O 2.97Å; L85-E106 PolarHBondContact O-N 3.38Å; L85-M108 HydrophobicContact CB-CE 3.86Å; L85-M108 HydrophobicContact CB-SD 4.13Å; L85-I117 HydrophobicContact CD1-CG2 3.79Å; L85-I117 HydrophobicContact CD2-CG2 3.76Å; L85-I117 HydrophobicContact CG-CG2 4.43Å; L85-K120 HydrophobicContact CD2-CB 3.81Å; L85-M146 HydrophobicContact CD1-CE 4.39Å
86A95.3Very high90.4Very high10 Ų1066.4 Ų66.48%0.08335%0.345CS..EExtended strand (participates in β ladder)trans-87.2123.1171.700000109.8S73 D74 F88 L105S73-A86 WeakPolarHBondContact CA-O 3.47Å; D74-A86 PolarHBondContact N-O 3.19Å; D74-A86 PolarHBondContact O-N 3.06Å; A86-F88 HydrophobicContact CB-CE2 3.86Å; A86-F88 HydrophobicContact CB-CZ 4.43Å; A86-L105 HydrophobicContact CB-CD2 3.68Å
87I96.7Very high90.9Very high0 Ų067.8 Ų67.80%035%0.347CS..EExtended strand (participates in β ladder)trans-116.4116.4179.1-51.7173.7000108.3L71 A72 L85 L103 S104 E106 L121L71-I87 HydrophobicContact CD2-CG2 4.24Å; A72-I87 CarbonylContact O-C 3.51Å; A72-I87 WeakPolarHBondContact O-CA 3.5Å; L85-I87 HydrophobicContact CD2-CD1 3.94Å; L85-I87 HydrophobicContact CD2-CG1 4.05Å; L85-I87 HydrophobicContact CG-CD1 4.33Å; L85-I87 HydrophobicContact CG-CG1 3.92Å; I87-L103 HydrophobicContact CB-CB 4.27Å; I87-L103 HydrophobicContact CG2-CB 4.09Å; I87-L103 HydrophobicContact CG2-CD2 3.88Å; I87-L103 WeakPolarHBondContact O-CA 3.38Å; I87-L103 VanDerWaalsContact O-CB 3.27Å; I87-L103 WeakPolarHBondContact O-CB 3.39Å; I87-L103 PolarHBondContact O-N 2.97Å; I87-S104 PolarHBondContact N-O 2.93Å; I87-S104 PolarHBondContact O-N 3.15Å; I87-E106 HydrophobicContact CD1-CG 4.39Å; I87-L121 HydrophobicContact CD1-CD1 3.9Å; I87-L121 HydrophobicContact CG1-CD1 4.3Å; I87-L121 HydrophobicContact CG2-CD1 3.87Å
88F97.2Very high91.7Very high103 Ų10367 Ų6745%0.45234%0.342SS..EExtended strand (participates in β ladder)trans-101.5137174.2-60.6-92.3000109.6L71 A72 A86 E101 L102L71-F88 CarbonylContact C-O 3.5Å; L71-F88 VanDerWaalsContact CA-O 3.3Å; L71-F88 WeakPolarHBondContact CA-O 3.37Å; A72-F88 HydrophobicContact CB-CB 4.25Å; A72-F88 PolarHBondContact N-O 3.16Å; A72-F88 PolarHBondContact O-N 2.93Å; A86-F88 HydrophobicContact CB-CE2 3.86Å; A86-F88 HydrophobicContact CB-CZ 4.43Å; F88-E101 WeakPolarHBondContact CA-O 3.44Å; F88-L102 HydrophobicContact CD1-CB 4.45Å; F88-L102 HydrophobicContact CD1-CD1 4.04Å; F88-L102 HydrophobicContact CE1-CB 4.46Å; F88-L102 HydrophobicContact CE1-CD1 3.79Å; F88-L102 HydrophobicContact CE2-CD1 4.45Å; F88-L102 HydrophobicContact CG-CD1 4.48Å; F88-L102 HydrophobicContact CZ-CD1 4.02Å
89L97.7Very high92.6Very high3 Ų370.2 Ų70.22%0.01635%0.35CS..EExtended strand (participates in β ladder)trans-107.6129.2176.9173.662.9000109A63 F66 F69 L71 E100 E101 L103 L130A63-L89 HydrophobicContact CB-CD2 4.27Å; F66-L89 HydrophobicContact CD2-CD2 4.19Å; F66-L89 HydrophobicContact CE2-CD1 4.43Å; F66-L89 HydrophobicContact CE2-CD2 3.61Å; F66-L89 HydrophobicContact CE2-CG 3.95Å; F69-L89 HydrophobicContact CB-CD1 3.71Å; F69-L89 HydrophobicContact CD2-CD1 3.55Å; F69-L89 HydrophobicContact CE2-CD1 4.44Å; F69-L89 HydrophobicContact CG-CD1 3.84Å; L71-L89 HydrophobicContact CD2-CB 4.29Å; L71-L89 HydrophobicContact CD2-CD1 3.75Å; L89-E100 CarbonylContact O-C 3.54Å; L89-E100 VanDerWaalsContact O-CA 3.31Å; L89-E100 WeakPolarHBondContact O-CA 3.36Å; L89-E101 PolarHBondContact N-O 2.74Å; L89-E101 PolarHBondContact O-N 2.77Å; L89-L103 HydrophobicContact CB-CB 4.12Å; L89-L103 HydrophobicContact CB-CD1 4.35Å; L89-L103 HydrophobicContact CD2-CD1 3.95Å; L89-L130 HydrophobicContact CD1-CD1 3.92Å; L89-L130 HydrophobicContact CD1-CD2 4.21Å; L89-L130 HydrophobicContact CD2-CD1 4.03Å; L89-L130 HydrophobicContact CD2-CD2 4.23Å
90R97.9Very high93.6Very high130 Ų13067.3 Ų67.349%0.49133%0.333SS..EExtended strand (participates in β ladder)trans-122.6117.1167.1176.1177.3-174.9148.87.3108.9F69 S70 T98 R99 E100F69-R90 CarbonylContact C-O 3.45Å; F69-R90 VanDerWaalsContact CA-O 3.26Å; F69-R90 WeakPolarHBondContact CA-O 3.32Å; F69-R90 WeakPolarHBondContact CB-O 3.25Å; S70-R90 PolarHBondContact N-O 2.87Å; S70-R90 PolarHBondContact O-N 3.36Å; S70-R90 PolarHBondContact OG-O 3.31Å; R90-T98 HydrophobicContact CG-CG2 4.18Å; R90-R99 CarbonylContact C-O 3.58Å; R90-R99 VanDerWaalsContact CA-O 3.32Å; R90-R99 WeakPolarHBondContact CA-O 3.36Å; R90-E100 HydrophobicContact CB-CG 3.92Å; R90-E100 VanDerWaalsContact CD-OE1 3.23Å; R90-E100 WeakPolarHBondContact CD-OE1 3.43Å; R90-E100 HydrophobicContact CG-CG 3.68Å; R90-E100 IonicContact CZ-OE1 3.62Å; R90-E100 IonicContact NE-OE1 2.93Å; R90-E100 PolarHBondContact NE-OE1 3.31Å; R90-E100 IonicContact NH1-OE1 3.2Å; R90-E100 PolarHBondContact NH1-OE1 3.36Å; R90-E100 IonicContact NH2-OE1 2.7Å
91G97.9Very high94.4Very high3 Ų367.4 Ų67.43%0.03133%0.327CS..EExtended strand (participates in β ladder)trans-127.2159.9-176.800000113.1F66 I68 T98 R99F66-G91 VanDerWaalsContact CD1-C 3.47Å; I68-G91 WeakPolarHBondContact O-CA 3.37Å; G91-T98 WeakPolarHBondContact O-CA 3.27Å; G91-R99 PolarHBondContact N-O 3.44Å; G91-R99 PolarHBondContact O-N 3.25Å
92K97.8Very high95.1Very high79 Ų7964.2 Ų64.234%0.34331%0.309SS..EExtended strand (participates in β ladder)trans-125.3130.5176.2-170.7178.5179.6-177.10110.6F66 E67 I68 E97F66-K92 CarbonylContact C-O 3.52Å; F66-K92 WeakPolarHBondContact CA-O 3.44Å; E67-K92 PolarHBondContact N-O 3.27Å; I68-K92 HydrophobicContact CG2-CB 4.11Å; I68-K92 PolarHBondContact O-N 3.3Å; K92-E97 VanDerWaalsContact CA-O 3.3Å; K92-E97 WeakPolarHBondContact CA-O 3.47Å
93T95.6Very high95.7Very high15 Ų1562.8 Ų62.89%0.09230%0.301CS..EExtended strand (participates in β ladder)trans-85.5172.6177.376.30000111.8F66 E95 F96 E97F66-T93 HydrophobicContact CD1-CG2 4.09Å; F66-T93 HydrophobicContact CE1-CG2 4.26Å; T93-E95 WeakPolarHBondContact CB-OE2 3.46Å; T93-E95 PolarHBondContact O-N 2.85Å; T93-E95 PolarHBondContact OG1-N 3.21Å; T93-E95 PolarHBondContact OG1-OE2 3.15Å; T93-F96 PolarHBondContact O-N 2.95Å; T93-E97 HydrophobicContact CG2-CB 4.39Å; T93-E97 PolarHBondContact N-O 3.04Å; T93-E97 PolarHBondContact OG1-N 3.28Å
94A94.9Very high96Very high54 Ų5462.6 Ų62.645%0.44630%0.299SS..THydrogen-bonded Turntrans-59.9-3017400000112.7E67 F96E67-A94 HydrophobicContact CG-CB 4.14Å; A94-F96 WeakPolarHBondContact O-CD2 3.35Å; A94-F96 PolarHBondContact O-N 2.99Å
95E95Very high96.1Very high138 Ų13865.8 Ų65.865%0.64532%0.316SS*.THydrogen-bonded Turntrans-819.7176.2-56.370.2-148.800112.9T93 E97T93-E95 WeakPolarHBondContact CB-OE2 3.46Å; T93-E95 PolarHBondContact O-N 2.85Å; T93-E95 PolarHBondContact OG1-N 3.21Å; T93-E95 PolarHBondContact OG1-OE2 3.15Å; E95-E97 HydrophobicContact CB-CG 4.49Å; E95-E97 PolarHBondContact O-N 3.02Å
96F93.9Very high96Very high153 Ų15367.3 Ų67.367%0.67132%0.323SS*.  trans64.314-178.2-63.5-106.2000114.5T93 A94 T98T93-F96 PolarHBondContact O-N 2.95Å; A94-F96 WeakPolarHBondContact O-CD2 3.35Å; A94-F96 PolarHBondContact O-N 2.99Å; F96-T98 PolarHBondContact O-N 3.15Å
97E96.1Very high95.9Very high97 Ų9768 Ų6845%0.45333%0.329SS..  trans-69.5131.5170.8-65.9-166.9-17800110.1K92 T93 E95 R99K92-E97 VanDerWaalsContact CA-O 3.3Å; K92-E97 WeakPolarHBondContact CA-O 3.47Å; T93-E97 HydrophobicContact CG2-CB 4.39Å; T93-E97 PolarHBondContact N-O 3.04Å; T93-E97 PolarHBondContact OG1-N 3.28Å; E95-E97 HydrophobicContact CB-CG 4.49Å; E95-E97 PolarHBondContact O-N 3.02Å; E97-R99 IonicContact OE2-CZ 3.47Å; E97-R99 IonicContact OE2-NE 3.49Å; E97-R99 IonicContact OE2-NH2 2.66Å; E97-R99 PolarHBondContact OE2-NH2 3.07Å
98T96.7Very high95.7Very high74 Ų7468.5 Ų68.545%0.45433%0.332SS..EExtended strand (participates in β ladder)trans-99.5134173.1-56.40000109.3R90 G91 F96R90-T98 HydrophobicContact CG-CG2 4.18Å; G91-T98 WeakPolarHBondContact O-CA 3.27Å; F96-T98 PolarHBondContact O-N 3.15Å
99R95.9Very high95.1Very high116 Ų11671.4 Ų71.444%0.43835%0.346SS..EExtended strand (participates in β ladder)trans-127.3139.4174.5-62.1-71.3177.6157-3.4109.1T62 F66 R90 G91 E97T62-R99 HydrophobicContact CG2-CB 4.42Å; T62-R99 HydrophobicContact CG2-CG 4.19Å; F66-R99 HydrophobicContact CE1-CB 3.86Å; F66-R99 HydrophobicContact CE1-CG 4.18Å; F66-R99 HydrophobicContact CZ-CB 3.75Å; F66-R99 HydrophobicContact CZ-CG 4.42Å; R90-R99 CarbonylContact C-O 3.58Å; R90-R99 VanDerWaalsContact CA-O 3.32Å; R90-R99 WeakPolarHBondContact CA-O 3.36Å; G91-R99 PolarHBondContact N-O 3.44Å; G91-R99 PolarHBondContact O-N 3.25Å; E97-R99 IonicContact OE2-CZ 3.47Å; E97-R99 IonicContact OE2-NE 3.49Å; E97-R99 IonicContact OE2-NH2 2.66Å; E97-R99 PolarHBondContact OE2-NH2 3.07Å
100E96.7Very high94.4Very high116 Ų11676.3 Ų76.354%0.54238%0.381SS..EExtended strand (participates in β ladder)trans-125.7125.1175.7-70.1-176.2-179.500107.9L89 R90L89-E100 CarbonylContact O-C 3.54Å; L89-E100 VanDerWaalsContact O-CA 3.31Å; L89-E100 WeakPolarHBondContact O-CA 3.36Å; R90-E100 HydrophobicContact CB-CG 3.92Å; R90-E100 VanDerWaalsContact CD-OE1 3.23Å; R90-E100 WeakPolarHBondContact CD-OE1 3.43Å; R90-E100 HydrophobicContact CG-CG 3.68Å; R90-E100 IonicContact CZ-OE1 3.62Å; R90-E100 IonicContact NE-OE1 2.93Å; R90-E100 PolarHBondContact NE-OE1 3.31Å; R90-E100 IonicContact NH1-OE1 3.2Å; R90-E100 PolarHBondContact NH1-OE1 3.36Å; R90-E100 IonicContact NH2-OE1 2.7Å
101E95.6Very high94.1Very high95 Ų9573 Ų7344%0.44438%0.375SS..EExtended strand (participates in β ladder)trans-142.3152.5-174.7-66-65.6172.700110.3L59 F88 L89 L103L59-E101 HydrophobicContact CD1-CB 3.7Å; L59-E101 HydrophobicContact CD1-CG 3.83Å; F88-E101 WeakPolarHBondContact CA-O 3.44Å; L89-E101 PolarHBondContact N-O 2.74Å; L89-E101 PolarHBondContact O-N 2.77Å; E101-L103 PolarHBondContact O-N 3.36Å
102L95.7Very high93.8Very high76 Ų7675.2 Ų75.240%0.39839%0.388SS..EExtended strand (participates in β ladder)trans-75.7115.1165.4178.167.7000108F88 L105F88-L102 HydrophobicContact CD1-CB 4.45Å; F88-L102 HydrophobicContact CD1-CD1 4.04Å; F88-L102 HydrophobicContact CE1-CB 4.46Å; F88-L102 HydrophobicContact CE1-CD1 3.79Å; F88-L102 HydrophobicContact CE2-CD1 4.45Å; F88-L102 HydrophobicContact CG-CD1 4.48Å; F88-L102 HydrophobicContact CZ-CD1 4.02Å; L102-L105 HydrophobicContact CD1-CD2 4.43Å; L102-L105 HydrophobicContact CD1-CG 4.5Å; L102-L105 HydrophobicContact CD2-CD1 4.2Å; L102-L105 HydrophobicContact CD2-CG 4.12Å
103L96.7Very high93.6Very high6 Ų677.9 Ų77.93%0.03140%0.396CS..EExtended strand (participates in β ladder)trans-73.3-55.1-179.8-171.163.5000111L59 L71 I87 L89 E101 S124 F128 L130L59-L103 HydrophobicContact CD2-CD1 4.31Å; L71-L103 HydrophobicContact CD2-CD2 4.16Å; I87-L103 HydrophobicContact CB-CB 4.27Å; I87-L103 HydrophobicContact CG2-CB 4.09Å; I87-L103 HydrophobicContact CG2-CD2 3.88Å; I87-L103 WeakPolarHBondContact O-CA 3.38Å; I87-L103 VanDerWaalsContact O-CB 3.27Å; I87-L103 WeakPolarHBondContact O-CB 3.39Å; I87-L103 PolarHBondContact O-N 2.97Å; L89-L103 HydrophobicContact CB-CB 4.12Å; L89-L103 HydrophobicContact CB-CD1 4.35Å; L89-L103 HydrophobicContact CD2-CD1 3.95Å; E101-L103 PolarHBondContact O-N 3.36Å; L103-S124 WeakPolarHBondContact CD2-OG 3.21Å; L103-S124 WeakPolarHBondContact CG-OG 3.37Å; L103-F128 HydrophobicContact CD1-CB 3.76Å; L103-F128 HydrophobicContact CD1-CD1 3.99Å; L103-F128 HydrophobicContact CD1-CD2 3.29Å; L103-F128 HydrophobicContact CD1-CE1 4.44Å; L103-F128 HydrophobicContact CD1-CE2 3.83Å; L103-F128 HydrophobicContact CD1-CG 3.39Å; L103-F128 HydrophobicContact CD1-CZ 4.37Å; L103-F128 HydrophobicContact CD2-CD2 4.42Å; L103-F128 HydrophobicContact CG-CD2 3.67Å; L103-F128 HydrophobicContact CG-CE2 3.99Å; L103-F128 HydrophobicContact CG-CG 4.28Å; L103-F128 WeakPolarHBondContact O-CE2 3.43Å; L103-F128 WeakPolarHBondContact O-CZ 3.2Å; L103-L130 HydrophobicContact CD1-CD1 4.02Å; L103-L130 HydrophobicContact CD2-CD1 3.7Å
104S95.1Very high93.5Very high9 Ų977.3 Ų77.36%0.06339%0.393CS..EExtended strand (participates in β ladder)trans-160160.5177.765.90000112.4I87 E106 S124I87-S104 PolarHBondContact N-O 2.93Å; I87-S104 PolarHBondContact O-N 3.15Å; S104-E106 WeakPolarHBondContact CB-OE1 3.37Å; S104-E106 WeakPolarHBondContact OG-CG 3.47Å; S104-E106 PolarHBondContact OG-OE1 3.31Å; S104-S124 WeakPolarHBondContact CB-OG 3.49Å; S104-S124 WeakPolarHBondContact OG-CB 3.38Å; S104-S124 PolarHBondContact OG-OG 2.87Å
105L94.1Very high93.6Very high105 Ų10579.7 Ų79.755%0.5540%0.395SS..EExtended strand (participates in β ladder)trans-115.1110.2163.9-70.8168.9000106.7L85 A86 L102L85-L105 WeakPolarHBondContact O-CA 3.5Å; A86-L105 HydrophobicContact CB-CD2 3.68Å; L102-L105 HydrophobicContact CD1-CD2 4.43Å; L102-L105 HydrophobicContact CD1-CG 4.5Å; L102-L105 HydrophobicContact CD2-CD1 4.2Å; L102-L105 HydrophobicContact CD2-CG 4.12Å
106E93.7Very high93.6Very high31 Ų3174.1 Ų74.115%0.14537%0.369CS..EExtended strand (participates in β ladder)trans-105115.1-175.3-65-61.714700110.7Q84 L85 I87 S104 K120Q84-E106 CarbonylContact C-O 3.49Å; Q84-E106 WeakPolarHBondContact CA-O 3.44Å; L85-E106 HydrophobicContact CB-CB 4.24Å; L85-E106 PolarHBondContact N-O 2.97Å; L85-E106 PolarHBondContact O-N 3.38Å; I87-E106 HydrophobicContact CD1-CG 4.39Å; S104-E106 WeakPolarHBondContact CB-OE1 3.37Å; S104-E106 WeakPolarHBondContact OG-CG 3.47Å; S104-E106 PolarHBondContact OG-OE1 3.31Å; E106-K120 HydrophobicContact CB-CB 4.05Å; E106-K120 HydrophobicContact CB-CD 4.06Å; E106-K120 HydrophobicContact CB-CG 4.15Å; E106-K120 HydrophobicContact CG-CB 4.23Å; E106-K120 HydrophobicContact CG-CD 4.44Å; E106-K120 IonicContact OE2-NZ 3.63Å
107A92.7Very high93.7Very high25 Ų2566.9 Ų66.921%0.20734%0.338CS..EExtended strand (participates in β ladder)trans-67.5134.1175.700000111.3K120A107-K120 WeakPolarHBondContact O-CE 3.43Å
108M91.8Very high93.8Very high11 Ų1163.9 Ų63.95%0.05432%0.323CS..EExtended strand (participates in β ladder)trans-116.9102.4177.7-64.3-174-71.400108.9E75 A83 L85 T112 I117E75-M108 HydrophobicContact CB-CE 4.36Å; E75-M108 HydrophobicContact CG-CE 3.44Å; E75-M108 VanDerWaalsContact CG-CE 3.44Å; A83-M108 HydrophobicContact CB-CB 4.12Å; A83-M108 HydrophobicContact CB-CE 3.96Å; A83-M108 PolarHBondContact O-N 2.93Å; L85-M108 HydrophobicContact CB-CE 3.86Å; L85-M108 HydrophobicContact CB-SD 4.13Å; M108-T112 HydrophobicContact CB-CG2 4.36Å; M108-T112 HydrophobicContact CE-CG2 3.66Å; M108-T112 HydrophobicContact SD-CG2 4.04Å; M108-I117 HydrophobicContact SD-CG1 4Å
109H86.2Confident93.8Very high163 Ų16365.9 Ų65.976%0.75533%0.328SS*.SBendtrans-84.5-23.6-171.3-64.7-59.1000115
110S83.4Confident93.8Very high106 Ų10663.1 Ų63.174%0.74132%0.319SS*.SBendtrans-113-69.9-170.649.10000111.9
111T89.8Confident93.8Very high61 Ų6157.6 Ų57.637%0.37429%0.293SS..  trans-137.4157.1-174.652.50000110.5R113 D116T111-R113 PolarHBondContact OG1-NE 3.48Å; T111-D116 VanDerWaalsContact C-OD2 3.3Å; T111-D116 VanDerWaalsContact CB-OD2 3.29Å; T111-D116 WeakPolarHBondContact CB-OD2 3.47Å; T111-D116 VanDerWaalsContact OG1-CG 3.28Å; T111-D116 PolarHBondContact OG1-OD1 3.37Å; T111-D116 PolarHBondContact OG1-OD2 3.48Å
112T91.4Very high93.9Very high50 Ų5054.2 Ų54.231%0.30728%0.279SS..  trans-114.936.8179.456.20000110.8E75 A83 M108 I117 A145E75-T112 HydrophobicContact CG-CG2 4.14Å; A83-T112 HydrophobicContact CB-CG2 3.48Å; A83-T112 VanDerWaalsContact CB-CG2 3.48Å; M108-T112 HydrophobicContact CB-CG2 4.36Å; M108-T112 HydrophobicContact CE-CG2 3.66Å; M108-T112 HydrophobicContact SD-CG2 4.04Å; T112-I117 WeakPolarHBondContact O-CD1 3.46Å; T112-A145 VanDerWaalsContact O-CB 3.22Å; T112-A145 WeakPolarHBondContact O-CB 3.39Å
113R94.1Very high94Very high135 Ų13554.3 Ų54.351%0.50928%0.279SS..  trans-70.8157.8178.3-56169.9-61.7162.210.5108.7T111 E115 D116 I117T111-R113 PolarHBondContact OG1-NE 3.48Å; R113-E115 PolarHBondContact O-N 3.23Å; R113-D116 WeakPolarHBondContact CA-OD2 3.4Å; R113-D116 WeakPolarHBondContact CB-OD2 3.3Å; R113-D116 WeakPolarHBondContact CG-OD2 3.32Å; R113-D116 IonicContact CZ-OD1 3.55Å; R113-D116 IonicContact CZ-OD2 3.08Å; R113-D116 PolarHBondContact N-OD2 2.91Å; R113-D116 IonicContact NE-OD1 2.84Å; R113-D116 IonicContact NE-OD2 3.8Å; R113-D116 PolarHBondContact NE-OD2 2.93Å; R113-D116 VanDerWaalsContact NE-OD2 3.08Å; R113-D116 IonicContact NH2-OD1 3.9Å; R113-D116 PolarHBondContact NH2-OD1 3.16Å; R113-D116 IonicContact NH2-OD2 2.93Å; R113-D116 PolarHBondContact O-N 2.82Å; R113-I117 WeakPolarHBondContact O-CG1 3.47Å; R113-I117 PolarHBondContact O-N 3.24Å
114G94.9Very high94.1Very high2 Ų254 Ų542%0.02128%0.278CS..Hα-helixtrans-57.5-26.8179.500000114.3F118 A145 K151G114-F118 WeakPolarHBondContact O-CB 3.26Å; G114-F118 PolarHBondContact O-N 3.47Å; G114-A145 WeakPolarHBondContact CA-O 3.44Å; G114-K151 WeakPolarHBondContact CA-O 3.44Å
115E96Very high94.2Very high104 Ų10453.7 Ų53.749%0.48628%0.275SS..Hα-helixtrans-68.7-45.8173.4-174.5172.7-15700112R113 I117 F118 E119 F156R113-E115 PolarHBondContact O-N 3.23Å; E115-I117 VanDerWaalsContact C-N 3.33Å; E115-I117 PolarHBondContact O-N 3.42Å; E115-F118 PolarHBondContact O-N 3.15Å; E115-E119 PolarHBondContact O-N 3.01Å; E115-F156 HydrophobicContact CB-CE2 3.83Å; E115-F156 HydrophobicContact CB-CZ 3.81Å; E115-F156 HydrophobicContact CG-CZ 4.31Å; E115-F156 VanDerWaalsContact N-CE2 3.32Å
116D95.4Very high94.3Very high21 Ų2154.9 Ų54.911%0.11228%0.278CS..Hα-helixtrans-64.7-41.1178.9-44.6-48.5000110.2T111 R113 E119 K120T111-D116 VanDerWaalsContact C-OD2 3.3Å; T111-D116 VanDerWaalsContact CB-OD2 3.29Å; T111-D116 WeakPolarHBondContact CB-OD2 3.47Å; T111-D116 VanDerWaalsContact OG1-CG 3.28Å; T111-D116 PolarHBondContact OG1-OD1 3.37Å; T111-D116 PolarHBondContact OG1-OD2 3.48Å; R113-D116 WeakPolarHBondContact CA-OD2 3.4Å; R113-D116 WeakPolarHBondContact CB-OD2 3.3Å; R113-D116 WeakPolarHBondContact CG-OD2 3.32Å; R113-D116 IonicContact CZ-OD1 3.55Å; R113-D116 IonicContact CZ-OD2 3.08Å; R113-D116 PolarHBondContact N-OD2 2.91Å; R113-D116 IonicContact NE-OD1 2.84Å; R113-D116 IonicContact NE-OD2 3.8Å; R113-D116 PolarHBondContact NE-OD2 2.93Å; R113-D116 VanDerWaalsContact NE-OD2 3.08Å; R113-D116 IonicContact NH2-OD1 3.9Å; R113-D116 PolarHBondContact NH2-OD1 3.16Å; R113-D116 IonicContact NH2-OD2 2.93Å; R113-D116 PolarHBondContact O-N 2.82Å; D116-E119 PolarHBondContact O-N 2.9Å; D116-K120 WeakPolarHBondContact O-CG 3.48Å; D116-K120 PolarHBondContact O-N 2.79Å; D116-K120 VanDerWaalsContact O-N 3.16Å
117I96Very high94.5Very high2 Ų259.1 Ų59.11%0.0129%0.292CS..Hα-helixtrans-64.2-43.6175.6-62.7173.9000110.6L85 M108 T112 R113 E115 K120 L121 A145 M146 L153L85-I117 HydrophobicContact CD1-CG2 3.79Å; L85-I117 HydrophobicContact CD2-CG2 3.76Å; L85-I117 HydrophobicContact CG-CG2 4.43Å; M108-I117 HydrophobicContact SD-CG1 4Å; T112-I117 WeakPolarHBondContact O-CD1 3.46Å; R113-I117 WeakPolarHBondContact O-CG1 3.47Å; R113-I117 PolarHBondContact O-N 3.24Å; E115-I117 VanDerWaalsContact C-N 3.33Å; E115-I117 PolarHBondContact O-N 3.42Å; I117-K120 PolarHBondContact O-N 3.48Å; I117-L121 WeakPolarHBondContact O-CB 3.49Å; I117-L121 PolarHBondContact O-N 2.84Å; I117-A145 HydrophobicContact CD1-CB 3.95Å; I117-M146 HydrophobicContact CD1-SD 3.75Å; I117-M146 HydrophobicContact CG2-SD 3.98Å; I117-L153 HydrophobicContact CG2-CB 4.28Å; I117-L153 HydrophobicContact CG2-CD1 3.87Å; I117-L153 HydrophobicContact CG2-CD2 3.78Å; I117-L153 HydrophobicContact CG2-CG 4.18Å
118F97.3Very high94.7Very high34 Ų3458.4 Ų58.415%0.14929%0.285CS..Hα-helixtrans-62.4-44.8178.2172.1-106.8000111.9G114 E115 K120 L121 V122 F132 L153 F156 V157 E160G114-F118 WeakPolarHBondContact O-CB 3.26Å; G114-F118 PolarHBondContact O-N 3.47Å; E115-F118 PolarHBondContact O-N 3.15Å; F118-K120 VanDerWaalsContact C-N 3.34Å; F118-K120 PolarHBondContact O-N 3.49Å; F118-L121 WeakPolarHBondContact O-CB 3.31Å; F118-L121 PolarHBondContact O-N 2.99Å; F118-V122 HydrophobicContact CD1-CG2 4.48Å; F118-V122 HydrophobicContact CD2-CG2 4.05Å; F118-V122 HydrophobicContact CE1-CG2 4.05Å; F118-V122 HydrophobicContact CE2-CG2 3.57Å; F118-V122 HydrophobicContact CG-CG2 4.48Å; F118-V122 HydrophobicContact CZ-CG2 3.57Å; F118-V122 WeakPolarHBondContact O-CG2 3.43Å; F118-V122 PolarHBondContact O-N 3.48Å; F118-F132 HydrophobicContact CE2-CZ 4.34Å; F118-L153 HydrophobicContact CB-CD1 3.84Å; F118-L153 HydrophobicContact CD2-CD1 4.3Å; F118-F156 HydrophobicContact CB-CB 3.83Å; F118-F156 HydrophobicContact CB-CD2 4.29Å; F118-F156 HydrophobicContact CB-CG 4.22Å; F118-F156 HydrophobicContact CD1-CB 3.94Å; F118-F156 HydrophobicContact CD1-CG 4.36Å; F118-F156 HydrophobicContact CD2-CB 3.62Å; F118-F156 HydrophobicContact CE1-CB 4.42Å; F118-F156 HydrophobicContact CE2-CB 4.13Å; F118-F156 HydrophobicContact CG-CB 3.5Å; F118-F156 VanDerWaalsContact CG-CB 3.5Å; F118-F156 HydrophobicContact CG-CG 4.2Å; F118-V157 HydrophobicContact CD2-CG2 3.98Å; F118-V157 HydrophobicContact CE2-CG2 4.19Å; F118-E160 HydrophobicContact CE2-CB 4.11Å; F118-E160 HydrophobicContact CZ-CB 3.78Å; F118-E160 HydrophobicContact CZ-CG 4.01Å
119E96.8Very high95Very high116 Ų11660.3 Ų60.354%0.54231%0.307SS..Hα-helixtrans-56.7-48.2175.9-174.3-174.2167.100111.2E115 D116 L121 V122 L123E115-E119 PolarHBondContact O-N 3.01Å; D116-E119 PolarHBondContact O-N 2.9Å; E119-L121 PolarHBondContact O-N 3.2Å; E119-V122 PolarHBondContact O-N 3.5Å; E119-L123 HydrophobicContact CG-CD1 4.15Å; E119-L123 WeakPolarHBondContact O-CB 3.19Å; E119-L123 VanDerWaalsContact O-CG 3.32Å; E119-L123 WeakPolarHBondContact O-CG 3.43Å; E119-L123 PolarHBondContact O-N 2.89Å
120K96.4Very high95.5Very high58 Ų5853.1 Ų53.125%0.25227%0.274SS..Hα-helixtrans-62.9-40.8177.2-69.8-56.3-165.4169.40113L85 E106 A107 D116 I117 F118 L123 S124L85-K120 HydrophobicContact CD2-CB 3.81Å; E106-K120 HydrophobicContact CB-CB 4.05Å; E106-K120 HydrophobicContact CB-CD 4.06Å; E106-K120 HydrophobicContact CB-CG 4.15Å; E106-K120 HydrophobicContact CG-CB 4.23Å; E106-K120 HydrophobicContact CG-CD 4.44Å; E106-K120 IonicContact OE2-NZ 3.63Å; A107-K120 WeakPolarHBondContact O-CE 3.43Å; D116-K120 WeakPolarHBondContact O-CG 3.48Å; D116-K120 PolarHBondContact O-N 2.79Å; D116-K120 VanDerWaalsContact O-N 3.16Å; I117-K120 PolarHBondContact O-N 3.48Å; F118-K120 VanDerWaalsContact C-N 3.34Å; F118-K120 PolarHBondContact O-N 3.49Å; K120-L123 PolarHBondContact O-N 2.96Å; K120-S124 WeakPolarHBondContact O-CB 3.48Å; K120-S124 PolarHBondContact O-N 2.96Å
121L97.4Very high96.2Very high0 Ų054.4 Ų54.40%027%0.266CS..Hα-helixtrans-59.2-48.7175.3-174.174.2000111L71 I87 I117 F118 E119 S124 M125 L153 V157L71-L121 HydrophobicContact CD1-CD1 3.72Å; L71-L121 HydrophobicContact CD1-CD2 4.45Å; L71-L121 HydrophobicContact CD1-CG 4.27Å; I87-L121 HydrophobicContact CD1-CD1 3.9Å; I87-L121 HydrophobicContact CG1-CD1 4.3Å; I87-L121 HydrophobicContact CG2-CD1 3.87Å; I117-L121 WeakPolarHBondContact O-CB 3.49Å; I117-L121 PolarHBondContact O-N 2.84Å; F118-L121 WeakPolarHBondContact O-CB 3.31Å; F118-L121 PolarHBondContact O-N 2.99Å; E119-L121 PolarHBondContact O-N 3.2Å; L121-S124 PolarHBondContact O-N 3.48Å; L121-M125 HydrophobicContact CG-SD 4.29Å; L121-M125 WeakPolarHBondContact O-CG 3.3Å; L121-M125 PolarHBondContact O-N 3.44Å; L121-L153 HydrophobicContact CB-CD1 4.4Å; L121-L153 HydrophobicContact CD2-CD1 3.87Å; L121-V157 HydrophobicContact CD2-CG2 3.86Å
122V97.8Very high96.6Very high24 Ų2452.4 Ų52.415%0.14525%0.253CS..Hα-helixtrans-64.5-44.9-179.5172.40000111.3F118 E119 S124 M125 Q126 F132F118-V122 HydrophobicContact CD1-CG2 4.48Å; F118-V122 HydrophobicContact CD2-CG2 4.05Å; F118-V122 HydrophobicContact CE1-CG2 4.05Å; F118-V122 HydrophobicContact CE2-CG2 3.57Å; F118-V122 HydrophobicContact CG-CG2 4.48Å; F118-V122 HydrophobicContact CZ-CG2 3.57Å; F118-V122 WeakPolarHBondContact O-CG2 3.43Å; F118-V122 PolarHBondContact O-N 3.48Å; E119-V122 PolarHBondContact O-N 3.5Å; V122-S124 VanDerWaalsContact C-N 3.29Å; V122-S124 PolarHBondContact O-N 2.78Å; V122-M125 PolarHBondContact O-N 3.38Å; V122-Q126 HydrophobicContact CG1-CG 4.35Å; V122-Q126 WeakPolarHBondContact O-CB 3.45Å; V122-Q126 VanDerWaalsContact O-CG 3.31Å; V122-Q126 WeakPolarHBondContact O-CG 3.32Å; V122-Q126 PolarHBondContact O-N 2.8Å; V122-F132 HydrophobicContact CG2-CE2 4.29Å; V122-F132 HydrophobicContact CG2-CZ 4Å
123L97.5Very high96.9Very high78 Ų7855.9 Ų55.941%0.40827%0.265SS..Hα-helixtrans-59.7-41176.1-73173000111.8E119 K120 Q126 R127E119-L123 HydrophobicContact CG-CD1 4.15Å; E119-L123 WeakPolarHBondContact O-CB 3.19Å; E119-L123 VanDerWaalsContact O-CG 3.32Å; E119-L123 WeakPolarHBondContact O-CG 3.43Å; E119-L123 PolarHBondContact O-N 2.89Å; K120-L123 PolarHBondContact O-N 2.96Å; L123-Q126 PolarHBondContact O-N 2.85Å; L123-R127 WeakPolarHBondContact O-CB 3.32Å; L123-R127 PolarHBondContact O-N 2.8Å
124S97.3Very high97Very high0 Ų052.7 Ų52.70%026%0.255CS..Hα-helixtrans-64.8-47.4175.1-174.20000111.4L103 S104 K120 L121 V122 Q126 R127 F128L103-S124 WeakPolarHBondContact CD2-OG 3.21Å; L103-S124 WeakPolarHBondContact CG-OG 3.37Å; S104-S124 WeakPolarHBondContact CB-OG 3.49Å; S104-S124 WeakPolarHBondContact OG-CB 3.38Å; S104-S124 PolarHBondContact OG-OG 2.87Å; K120-S124 WeakPolarHBondContact O-CB 3.48Å; K120-S124 PolarHBondContact O-N 2.96Å; L121-S124 PolarHBondContact O-N 3.48Å; V122-S124 VanDerWaalsContact C-N 3.29Å; V122-S124 PolarHBondContact O-N 2.78Å; S124-Q126 VanDerWaalsContact C-N 3.32Å; S124-Q126 PolarHBondContact O-N 2.91Å; S124-R127 WeakPolarHBondContact O-CB 3.47Å; S124-R127 PolarHBondContact O-N 2.86Å; S124-F128 VanDerWaalsContact O-CD2 3.28Å; S124-F128 WeakPolarHBondContact O-CD2 3.49Å; S124-F128 PolarHBondContact O-N 3.44Å; S124-F128 VanDerWaalsContact O-N 3.1Å
125M97.9Very high97.2Very high2 Ų253 Ų531%0.0126%0.256CS..Hα-helixtrans-56.2-46175.4-73.4176.162.100112F69 L71 L121 V122 F128 G129 L130 F132F69-M125 HydrophobicContact CE2-CE 4.45Å; F69-M125 HydrophobicContact CZ-CE 4.05Å; L71-M125 HydrophobicContact CD1-CG 3.95Å; L71-M125 HydrophobicContact CD1-SD 3.73Å; L121-M125 HydrophobicContact CG-SD 4.29Å; L121-M125 WeakPolarHBondContact O-CG 3.3Å; L121-M125 PolarHBondContact O-N 3.44Å; V122-M125 PolarHBondContact O-N 3.38Å; M125-F128 CarbonylContact O-C 3.55Å; M125-F128 PolarHBondContact O-N 2.88Å; M125-G129 PolarHBondContact O-N 2.91Å; M125-L130 HydrophobicContact CB-CB 4.06Å; M125-L130 HydrophobicContact CE-CB 4.47Å; M125-L130 HydrophobicContact CG-CB 4.22Å; M125-L130 HydrophobicContact CG-CD1 4.44Å; M125-L130 PolarHBondContact O-N 3.22Å; M125-F132 HydrophobicContact CE-CD1 4.33Å; M125-F132 HydrophobicContact CE-CD2 3.92Å; M125-F132 HydrophobicContact CE-CE1 4.34Å; M125-F132 HydrophobicContact CE-CE2 3.92Å; M125-F132 HydrophobicContact CE-CG 4.12Å; M125-F132 HydrophobicContact CE-CZ 4.14Å; M125-F132 HydrophobicContact SD-CE2 4.37Å; M125-F132 HydrophobicContact SD-CZ 4.18Å
126Q97.3Very high97.3Very high130 Ų13049.5 Ų49.561%0.60724%0.244SC*.Hα-helixtrans-62.4-44.6176.9-72.5174.7-4.500112.1V122 L123 S124 F128 G129V122-Q126 HydrophobicContact CG1-CG 4.35Å; V122-Q126 WeakPolarHBondContact O-CB 3.45Å; V122-Q126 VanDerWaalsContact O-CG 3.31Å; V122-Q126 WeakPolarHBondContact O-CG 3.32Å; V122-Q126 PolarHBondContact O-N 2.8Å; L123-Q126 PolarHBondContact O-N 2.85Å; S124-Q126 VanDerWaalsContact C-N 3.32Å; S124-Q126 PolarHBondContact O-N 2.91Å; Q126-F128 PolarHBondContact O-N 2.88Å; Q126-G129 PolarHBondContact O-N 3.49Å; Q126-G129 VanDerWaalsContact O-N 3.14Å
127R97.2Very high97.4Very high119 Ų11948.8 Ų48.845%0.44924%0.241SC..Hα-helixtrans-54.6-39.6176.7178.4-179.2177.5-176.61111.5E56 K60 L123 S124E56-R127 IonicContact OE1-CZ 3.74Å; E56-R127 IonicContact OE1-NE 3.36Å; E56-R127 PolarHBondContact OE1-NE 3.37Å; E56-R127 IonicContact OE1-NH2 2.95Å; E56-R127 IonicContact OE2-CZ 3.67Å; E56-R127 IonicContact OE2-NE 3.89Å; E56-R127 PolarHBondContact OE2-NE 2.89Å; E56-R127 IonicContact OE2-NH2 3.63Å; E56-R127 PolarHBondContact OE2-NH2 3.03Å; K60-R127 WeakPolarHBondContact CE-O 3.4Å; K60-R127 PolarHBondContact NZ-O 3.13Å; L123-R127 WeakPolarHBondContact O-CB 3.32Å; L123-R127 PolarHBondContact O-N 2.8Å; S124-R127 WeakPolarHBondContact O-CB 3.47Å; S124-R127 PolarHBondContact O-N 2.86Å
128F97Very high97.4Very high10 Ų1048.7 Ų48.74%0.04424%0.24CC..THydrogen-bonded Turntrans-96.53.7-178-69.3-81.1000115E56 L59 K60 L103 S124 M125 Q126 L130E56-F128 HydrophobicContact CG-CE1 3.9Å; E56-F128 HydrophobicContact CG-CZ 4.31Å; L59-F128 HydrophobicContact CB-CD1 4.44Å; L59-F128 HydrophobicContact CB-CE1 4.15Å; L59-F128 HydrophobicContact CD2-CD1 4.09Å; L59-F128 HydrophobicContact CD2-CE1 3.59Å; L59-F128 HydrophobicContact CD2-CZ 4.06Å; L59-F128 HydrophobicContact CG-CD1 3.98Å; L59-F128 HydrophobicContact CG-CE1 3.87Å; K60-F128 HydrophobicContact CG-CD1 3.69Å; K60-F128 HydrophobicContact CG-CE1 4.32Å; L103-F128 HydrophobicContact CD1-CB 3.76Å; L103-F128 HydrophobicContact CD1-CD1 3.99Å; L103-F128 HydrophobicContact CD1-CD2 3.29Å; L103-F128 HydrophobicContact CD1-CE1 4.44Å; L103-F128 HydrophobicContact CD1-CE2 3.83Å; L103-F128 HydrophobicContact CD1-CG 3.39Å; L103-F128 HydrophobicContact CD1-CZ 4.37Å; L103-F128 HydrophobicContact CD2-CD2 4.42Å; L103-F128 HydrophobicContact CG-CD2 3.67Å; L103-F128 HydrophobicContact CG-CE2 3.99Å; L103-F128 HydrophobicContact CG-CG 4.28Å; L103-F128 WeakPolarHBondContact O-CE2 3.43Å; L103-F128 WeakPolarHBondContact O-CZ 3.2Å; S124-F128 VanDerWaalsContact O-CD2 3.28Å; S124-F128 WeakPolarHBondContact O-CD2 3.49Å; S124-F128 PolarHBondContact O-N 3.44Å; S124-F128 VanDerWaalsContact O-N 3.1Å; M125-F128 CarbonylContact O-C 3.55Å; M125-F128 PolarHBondContact O-N 2.88Å; Q126-F128 PolarHBondContact O-N 2.88Å; F128-L130 HydrophobicContact CB-CD1 4.5Å; F128-L130 HydrophobicContact CB-CG 4.35Å; F128-L130 PolarHBondContact O-N 2.8Å
129G96.9Very high97.4Very high51 Ų5149.2 Ų49.253%0.52625%0.246SC..THydrogen-bonded Turntrans68.620.6179.200000114.4M125 Q126M125-G129 PolarHBondContact O-N 2.91Å; Q126-G129 PolarHBondContact O-N 3.49Å; Q126-G129 VanDerWaalsContact O-N 3.14Å
130L98Very high97.2Very high13 Ų1343.8 Ų43.87%0.06822%0.221CC..  trans-77.1135.7175.1-67.1173000110.1A63 F69 L71 L89 L103 M125 F128A63-L130 HydrophobicContact CB-CD2 3.88Å; A63-L130 HydrophobicContact CB-CG 4.43Å; F69-L130 HydrophobicContact CD1-CD2 3.9Å; F69-L130 HydrophobicContact CD2-CD2 4.34Å; F69-L130 HydrophobicContact CE1-CB 4.11Å; F69-L130 HydrophobicContact CE1-CD2 3.84Å; F69-L130 HydrophobicContact CE2-CB 4.25Å; F69-L130 HydrophobicContact CE2-CD1 4.17Å; F69-L130 HydrophobicContact CE2-CD2 4.29Å; F69-L130 HydrophobicContact CE2-CG 4.49Å; F69-L130 HydrophobicContact CG-CD2 4.17Å; F69-L130 HydrophobicContact CZ-CB 3.74Å; F69-L130 HydrophobicContact CZ-CD1 4.46Å; F69-L130 HydrophobicContact CZ-CD2 4.07Å; F69-L130 HydrophobicContact CZ-CG 4.32Å; L71-L130 HydrophobicContact CD2-CD1 4.4Å; L89-L130 HydrophobicContact CD1-CD1 3.92Å; L89-L130 HydrophobicContact CD1-CD2 4.21Å; L89-L130 HydrophobicContact CD2-CD1 4.03Å; L89-L130 HydrophobicContact CD2-CD2 4.23Å; L103-L130 HydrophobicContact CD1-CD1 4.02Å; L103-L130 HydrophobicContact CD2-CD1 3.7Å; M125-L130 HydrophobicContact CB-CB 4.06Å; M125-L130 HydrophobicContact CE-CB 4.47Å; M125-L130 HydrophobicContact CG-CB 4.22Å; M125-L130 HydrophobicContact CG-CD1 4.44Å; M125-L130 PolarHBondContact O-N 3.22Å; F128-L130 HydrophobicContact CB-CD1 4.5Å; F128-L130 HydrophobicContact CB-CG 4.35Å; F128-L130 PolarHBondContact O-N 2.8Å
131K97.5Very high96.7Very high132 Ų13243.2 Ų43.257%0.57422%0.221SC*.  trans-115.5144.6-175.6-54.9-171.4176.5-177.90111.5F69 E133 K134F69-K131 VanDerWaalsContact CE1-O 3.25Å; F69-K131 WeakPolarHBondContact CE1-O 3.3Å; F69-K131 WeakPolarHBondContact CZ-O 3.35Å; K131-E133 VanDerWaalsContact CB-OE2 3.23Å; K131-E133 WeakPolarHBondContact CB-OE2 3.38Å; K131-E133 PolarHBondContact O-N 3.45Å; K131-K134 PolarHBondContact O-N 2.95Å; K131-K134 VanDerWaalsContact O-N 3.15Å
132F98.2Very high96.2Very high19 Ų1944.2 Ų44.28%0.08323%0.231CC..G310 helixtrans-62.2-29.6-179.2-83.2-88.3000112.9F118 V122 M125 K134 L135 V157 E160 M161 L164 L166F118-F132 HydrophobicContact CE2-CZ 4.34Å; V122-F132 HydrophobicContact CG2-CE2 4.29Å; V122-F132 HydrophobicContact CG2-CZ 4Å; M125-F132 HydrophobicContact CE-CD1 4.33Å; M125-F132 HydrophobicContact CE-CD2 3.92Å; M125-F132 HydrophobicContact CE-CE1 4.34Å; M125-F132 HydrophobicContact CE-CE2 3.92Å; M125-F132 HydrophobicContact CE-CG 4.12Å; M125-F132 HydrophobicContact CE-CZ 4.14Å; M125-F132 HydrophobicContact SD-CE2 4.37Å; M125-F132 HydrophobicContact SD-CZ 4.18Å; F132-K134 PolarHBondContact O-N 3.2Å; F132-K134 VanDerWaalsContact O-N 3.15Å; F132-L135 HydrophobicContact CD1-CD2 3.98Å; F132-L135 HydrophobicContact CE1-CD2 4.21Å; F132-L135 WeakPolarHBondContact O-CB 3.03Å; F132-L135 PolarHBondContact O-N 2.88Å; F132-V157 HydrophobicContact CE1-CG1 4.19Å; F132-E160 HydrophobicContact CD2-CG 4.48Å; F132-E160 HydrophobicContact CE1-CB 4.37Å; F132-E160 HydrophobicContact CE1-CG 4.25Å; F132-E160 HydrophobicContact CE2-CG 3.99Å; F132-E160 HydrophobicContact CZ-CB 4.34Å; F132-E160 HydrophobicContact CZ-CG 3.86Å; F132-M161 HydrophobicContact CD1-CG 4.03Å; F132-L164 HydrophobicContact CB-CD1 3.8Å; F132-L164 HydrophobicContact CD2-CD1 3.84Å; F132-L164 HydrophobicContact CG-CD1 3.94Å; F132-L166 HydrophobicContact CB-CD1 3.75Å
133E97.2Very high95.8Very high123 Ų12344.5 Ų44.558%0.57524%0.236SC*.G310 helixtrans-60.6-24177.5-61.590.1148.500112.8K131 L166K131-E133 VanDerWaalsContact CB-OE2 3.23Å; K131-E133 WeakPolarHBondContact CB-OE2 3.38Å; K131-E133 PolarHBondContact O-N 3.45Å; E133-L166 HydrophobicContact CB-CD2 4.5Å; E133-L166 HydrophobicContact CG-CD1 4.17Å; E133-L166 HydrophobicContact CG-CD2 3.91Å
134K97.6Very high95.5Very high69 Ų6946.1 Ų46.130%0.325%0.251SS..G310 helixtrans-104.5-0.5178.3-65.2-174.4166.1-167.40112.8F66 E67 I68 F69 K131 F132 S136F66-K134 VanDerWaalsContact O-CD 3.3Å; F66-K134 WeakPolarHBondContact O-CD 3.47Å; F66-K134 WeakPolarHBondContact O-CE 3.31Å; F66-K134 PolarHBondContact O-NZ 3Å; E67-K134 WeakPolarHBondContact O-CG 3.45Å; I68-K134 WeakPolarHBondContact CA-O 3.49Å; I68-K134 WeakPolarHBondContact CG1-O 3.33Å; F69-K134 HydrophobicContact CD1-CB 3.81Å; F69-K134 WeakPolarHBondContact CD1-O 3.49Å; F69-K134 HydrophobicContact CE1-CB 3.66Å; F69-K134 PolarHBondContact N-O 3.34Å; K131-K134 PolarHBondContact O-N 2.95Å; K131-K134 VanDerWaalsContact O-N 3.15Å; F132-K134 PolarHBondContact O-N 3.2Å; F132-K134 VanDerWaalsContact O-N 3.15Å; K134-S136 PolarHBondContact O-N 3.48Å
135L98.2Very high95.4Very high8 Ų847.3 Ų47.34%0.04226%0.261CS..EExtended strand (participates in β ladder)trans-80.7112.7179177.367.9000109.9F69 L71 F132 G137 V157 L171F69-L135 HydrophobicContact CD2-CD1 3.98Å; F69-L135 HydrophobicContact CE2-CB 4.07Å; F69-L135 HydrophobicContact CE2-CD1 3.54Å; F69-L135 HydrophobicContact CE2-CG 4.39Å; F69-L135 HydrophobicContact CZ-CB 3.89Å; F69-L135 HydrophobicContact CZ-CD1 4.24Å; F69-L135 CarbonylContact O-C 3.6Å; F69-L135 WeakPolarHBondContact O-CA 3.32Å; L71-L135 HydrophobicContact CB-CD1 4.48Å; L71-L135 HydrophobicContact CD1-CD1 4.05Å; L71-L135 HydrophobicContact CG-CD1 3.93Å; F132-L135 HydrophobicContact CD1-CD2 3.98Å; F132-L135 HydrophobicContact CE1-CD2 4.21Å; F132-L135 WeakPolarHBondContact O-CB 3.03Å; F132-L135 PolarHBondContact O-N 2.88Å; L135-G137 WeakPolarHBondContact CD1-O 3.25Å; L135-V157 HydrophobicContact CD2-CG1 3.99Å; L135-L171 HydrophobicContact CD2-CD1 3.92Å; L135-L171 HydrophobicContact CG-CD1 3.82Å
136S97.4Very high95.2Very high31 Ų3147.4 Ų47.422%0.21726%0.261CS..EExtended strand (participates in β ladder)trans-107-15-178.368.60000114.8F69 K134 I172F69-S136 PolarHBondContact O-N 3.47Å; F69-S136 PolarHBondContact O-OG 3.45Å; K134-S136 PolarHBondContact O-N 3.48Å; S136-I172 WeakPolarHBondContact O-CB 3.41Å; S136-I172 PolarHBondContact O-N 3.01Å
137G97.7Very high95.1Very high5 Ų544.1 Ų44.15%0.05225%0.25CS..EExtended strand (participates in β ladder)trans-159.1150.9-177.900000114.4S70 L71 L135 I172S70-G137 CarbonylContact C-O 3.5Å; S70-G137 WeakPolarHBondContact CA-O 3.35Å; S70-G137 WeakPolarHBondContact CB-O 3.5Å; L71-G137 PolarHBondContact N-O 2.87Å; L135-G137 WeakPolarHBondContact CD1-O 3.25Å; G137-I172 CarbonylContact C-O 3.5Å; G137-I172 WeakPolarHBondContact CA-O 3.33Å
138L97.3Very high95Very high1 Ų139.5 Ų39.51%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-136.2120177.6179.960.6000109.6L71 T140 L153 V154 V157 L171 I172 V173 C174L71-L138 HydrophobicContact CB-CD1 4.11Å; L71-L138 CarbonylContact O-C 3.47Å; L71-L138 VanDerWaalsContact O-CA 3.28Å; L71-L138 WeakPolarHBondContact O-CA 3.48Å; L138-T140 HydrophobicContact CD1-CG2 4.4Å; L138-T140 HydrophobicContact CG-CG2 4.1Å; L138-L153 HydrophobicContact CD1-CD2 4.39Å; L138-L153 HydrophobicContact CD2-CD2 4.26Å; L138-L153 HydrophobicContact CD2-CG 4.21Å; L138-V154 HydrophobicContact CD2-CG2 3.97Å; L138-V157 HydrophobicContact CD2-CB 4.31Å; L138-V157 HydrophobicContact CD2-CG1 4.39Å; L138-V157 HydrophobicContact CD2-CG2 3.94Å; L138-L171 HydrophobicContact CB-CD1 4.23Å; L138-L171 HydrophobicContact CB-CD2 4.42Å; L138-I172 PolarHBondContact N-O 3.32Å; L138-V173 WeakPolarHBondContact O-CA 3.48Å; L138-C174 PolarHBondContact O-N 3.06Å
139T95.8Very high94.8Very high44 Ų4446.3 Ų46.327%0.2728%0.275SS..EExtended strand (participates in β ladder)trans-106.4130.6177.8-54.50000110.6L71 A72 S73 C174L71-T139 PolarHBondContact O-N 3.37Å; A72-T139 WeakPolarHBondContact CA-O 3.5Å; A72-T139 HydrophobicContact CB-CG2 4.48Å; S73-T139 PolarHBondContact N-O 3.4Å; T139-C174 VanDerWaalsContact CA-O 3.29Å; T139-C174 WeakPolarHBondContact CA-O 3.19Å; T139-C174 HydrophobicContact CG2-CB 4.16Å
140T93.6Very high94.7Very high3 Ų351 Ų512%0.01828%0.284CS..EExtended strand (participates in β ladder)trans-139.4162.8-17964.80000112.7L138 G142 M146 V147 L153 V154 C174 H175 C176L138-T140 HydrophobicContact CD1-CG2 4.4Å; L138-T140 HydrophobicContact CG-CG2 4.1Å; T140-G142 VanDerWaalsContact C-N 3.33Å; T140-G142 PolarHBondContact O-N 2.86Å; T140-M146 HydrophobicContact CG2-CB 4.07Å; T140-M146 HydrophobicContact CG2-CE 4.22Å; T140-M146 HydrophobicContact CG2-CG 4.47Å; T140-M146 HydrophobicContact CG2-SD 4.4Å; T140-V147 WeakPolarHBondContact OG1-CG1 3.49Å; T140-L153 HydrophobicContact CG2-CD2 4.18Å; T140-V154 HydrophobicContact CG2-CG2 4.35Å; T140-C174 PolarHBondContact N-O 3.02Å; T140-C174 VanDerWaalsContact N-O 3.12Å; T140-H175 CarbonylContact O-C 3.41Å; T140-C176 WeakPolarHBondContact O-CB 3.28Å; T140-C176 PolarHBondContact O-N 3.06Å
141D86.3Confident94.7Very high46 Ų4658.3 Ų58.325%0.24632%0.315CS..  trans-79.7-4.6-174.677.1-26.2000115.5A143 M146 H175D141-A143 WeakPolarHBondContact OD1-CB 3.47Å; D141-A143 PolarHBondContact OD1-N 3.32Å; D141-M146 VanDerWaalsContact OD1-CG 3.3Å; D141-M146 WeakPolarHBondContact OD1-CG 3.43Å; D141-H175 PolarHBondContact O-CE1 3.03Å
142G85.6Confident94.6Very high20 Ų2052 Ų5221%0.20629%0.288CS..  trans89.10.3-179.900000115.6T140 V147 H175T140-G142 VanDerWaalsContact C-N 3.33Å; T140-G142 PolarHBondContact O-N 2.86Å; G142-V147 VanDerWaalsContact O-CG2 3.3Å; G142-V147 WeakPolarHBondContact O-CG2 3.23Å; G142-H175 WeakPolarHBondContact CA-NE2 3.29Å
143A89.6Confident94.5Very high31 Ų3151.1 Ų51.126%0.25628%0.284SS..  trans-59.7148.5177.800000111D141 A145 M146 V147D141-A143 WeakPolarHBondContact OD1-CB 3.47Å; D141-A143 PolarHBondContact OD1-N 3.32Å; A143-A145 PolarHBondContact O-N 3.15Å; A143-A145 VanDerWaalsContact O-N 3.1Å; A143-M146 HydrophobicContact CB-CG 4.21Å; A143-M146 WeakPolarHBondContact O-CA 3.1Å; A143-M146 WeakPolarHBondContact O-CB 3.41Å; A143-M146 PolarHBondContact O-N 3.08Å; A143-V147 PolarHBondContact O-N 2.89Å
144P92.5Very high94.5Very high112 Ų11246 Ų4673%0.72726%0.261SS*.Hα-helixtrans-54.5-32.4178.4-28.735.7000114.2M146 G148P144-M146 PolarHBondContact O-N 2.87Å; P144-G148 VanDerWaalsContact O-CA 3.28Å; P144-G148 WeakPolarHBondContact O-CA 3.26Å; P144-G148 PolarHBondContact O-N 3.05Å
145A94.3Very high94.5Very high25 Ų2543.8 Ų43.821%0.20726%0.255CS..Hα-helixtrans-67.9-21.9174.300000113.3T112 G114 I117 A143 G152 L153T112-A145 VanDerWaalsContact O-CB 3.22Å; T112-A145 WeakPolarHBondContact O-CB 3.39Å; G114-A145 WeakPolarHBondContact CA-O 3.44Å; I117-A145 HydrophobicContact CD1-CB 3.95Å; A143-A145 PolarHBondContact O-N 3.15Å; A143-A145 VanDerWaalsContact O-N 3.1Å; A145-G152 CarbonylContact O-C 3.58Å; A145-G152 VanDerWaalsContact O-CA 3.22Å; A145-G152 WeakPolarHBondContact O-CA 3.34Å; A145-L153 PolarHBondContact O-N 2.61Å
146M94.9Very high94.5Very high3 Ų345.1 Ų45.12%0.01526%0.261CS..Hα-helixtrans-93-48178.8-62.1-58.8-124.800112.3S73 L85 I117 T140 D141 A143 P144 G152 L153 V154S73-M146 WeakPolarHBondContact O-CE 3.4Å; L85-M146 HydrophobicContact CD1-CE 4.39Å; I117-M146 HydrophobicContact CD1-SD 3.75Å; I117-M146 HydrophobicContact CG2-SD 3.98Å; T140-M146 HydrophobicContact CG2-CB 4.07Å; T140-M146 HydrophobicContact CG2-CE 4.22Å; T140-M146 HydrophobicContact CG2-CG 4.47Å; T140-M146 HydrophobicContact CG2-SD 4.4Å; D141-M146 VanDerWaalsContact OD1-CG 3.3Å; D141-M146 WeakPolarHBondContact OD1-CG 3.43Å; A143-M146 HydrophobicContact CB-CG 4.21Å; A143-M146 WeakPolarHBondContact O-CA 3.1Å; A143-M146 WeakPolarHBondContact O-CB 3.41Å; A143-M146 PolarHBondContact O-N 3.08Å; P144-M146 PolarHBondContact O-N 2.87Å; M146-G152 CarbonylContact O-C 3.52Å; M146-L153 HydrophobicContact CE-CD2 4.26Å; M146-L153 PolarHBondContact O-N 3.01Å; M146-L153 HydrophobicContact SD-CB 4.06Å; M146-L153 HydrophobicContact SD-CD2 3.82Å; M146-V154 WeakPolarHBondContact O-CG2 3.4Å; M146-V154 PolarHBondContact O-N 2.88Å
147V94Very high94.6Very high62 Ų6243.7 Ų43.738%0.37625%0.25SS..Hα-helixtrans-112.55.1-169.5-570000114.3T140 G142 A143 L149T140-V147 WeakPolarHBondContact OG1-CG1 3.49Å; G142-V147 VanDerWaalsContact O-CG2 3.3Å; G142-V147 WeakPolarHBondContact O-CG2 3.23Å; A143-V147 PolarHBondContact O-N 2.89Å; V147-L149 PolarHBondContact O-N 2.94Å
148G95Very high94.6Very high22 Ų2246.9 Ų46.923%0.22726%0.263CS..  trans-56.1132.1177.300000112.5P144 Q150 G152 A155P144-G148 VanDerWaalsContact O-CA 3.28Å; P144-G148 WeakPolarHBondContact O-CA 3.26Å; P144-G148 PolarHBondContact O-N 3.05Å; G148-Q150 PolarHBondContact O-N 3.33Å; G148-G152 WeakPolarHBondContact O-CA 3.29Å; G148-G152 PolarHBondContact O-N 2.83Å; G148-A155 WeakPolarHBondContact O-CB 3.28Å
149L94Very high94.7Very high152 Ų15252.9 Ų52.980%0.79629%0.289SS*.THydrogen-bonded Turntrans-54.2-34.3-169.7-175.165.8000114.9V147 A155V147-L149 PolarHBondContact O-N 2.94Å; L149-A155 WeakPolarHBondContact O-CB 3.34Å
150Q95Very high94.8Very high150 Ų15053.4 Ų53.470%0.70129%0.288SS*.THydrogen-bonded Turntrans-122.4-22.4-175.4-64-63.6-27.400113.7G148G148-Q150 PolarHBondContact O-N 3.33Å
151K96.3Very high95Very high167 Ų16753.5 Ų53.573%0.72629%0.289SS*.THydrogen-bonded Turntrans-129.811.7-172.6-63.1-169.5177.2-173.40113.1G114G114-K151 WeakPolarHBondContact CA-O 3.44Å
152G96.1Very high95.5Very high0 Ų056.2 Ų56.20%030%0.303CS..SBendtrans-87.6156.6173.200000111.6A145 M146 G148 V154 A155 F156A145-G152 CarbonylContact O-C 3.58Å; A145-G152 VanDerWaalsContact O-CA 3.22Å; A145-G152 WeakPolarHBondContact O-CA 3.34Å; M146-G152 CarbonylContact O-C 3.52Å; G148-G152 WeakPolarHBondContact O-CA 3.29Å; G148-G152 PolarHBondContact O-N 2.83Å; G152-V154 VanDerWaalsContact C-N 3.27Å; G152-V154 PolarHBondContact O-N 3.08Å; G152-A155 WeakPolarHBondContact O-CB 3.43Å; G152-A155 PolarHBondContact O-N 2.57Å; G152-F156 VanDerWaalsContact O-CD2 3.25Å; G152-F156 WeakPolarHBondContact O-CD2 3.41Å; G152-F156 PolarHBondContact O-N 2.97Å; G152-F156 VanDerWaalsContact O-N 3.08Å
153L96.9Very high96.1Very high0 Ų059.9 Ų59.90%032%0.318CS..Hα-helixtrans-45.6-50.2173177.961.4000112.3I117 F118 L121 L138 T140 A145 M146 A155 F156 V157I117-L153 HydrophobicContact CG2-CB 4.28Å; I117-L153 HydrophobicContact CG2-CD1 3.87Å; I117-L153 HydrophobicContact CG2-CD2 3.78Å; I117-L153 HydrophobicContact CG2-CG 4.18Å; F118-L153 HydrophobicContact CB-CD1 3.84Å; F118-L153 HydrophobicContact CD2-CD1 4.3Å; L121-L153 HydrophobicContact CB-CD1 4.4Å; L121-L153 HydrophobicContact CD2-CD1 3.87Å; L138-L153 HydrophobicContact CD1-CD2 4.39Å; L138-L153 HydrophobicContact CD2-CD2 4.26Å; L138-L153 HydrophobicContact CD2-CG 4.21Å; T140-L153 HydrophobicContact CG2-CD2 4.18Å; A145-L153 PolarHBondContact O-N 2.61Å; M146-L153 HydrophobicContact CE-CD2 4.26Å; M146-L153 PolarHBondContact O-N 3.01Å; M146-L153 HydrophobicContact SD-CB 4.06Å; M146-L153 HydrophobicContact SD-CD2 3.82Å; L153-A155 VanDerWaalsContact C-N 3.27Å; L153-A155 PolarHBondContact O-N 2.96Å; L153-F156 PolarHBondContact O-N 2.7Å; L153-F156 VanDerWaalsContact O-N 3.15Å; L153-V157 HydrophobicContact CD1-CG2 4.09Å; L153-V157 HydrophobicContact CG-CG2 4.33Å; L153-V157 VanDerWaalsContact O-CG2 3.32Å; L153-V157 WeakPolarHBondContact O-CG2 3.36Å; L153-V157 PolarHBondContact O-N 2.92Å
154V97.1Very high96.5Very high16 Ų1662 Ų6210%0.09733%0.325CS..Hα-helixtrans-58.7-40.2-179.8173.40000111.4L138 T140 M146 G152 K158 V173L138-V154 HydrophobicContact CD2-CG2 3.97Å; T140-V154 HydrophobicContact CG2-CG2 4.35Å; M146-V154 WeakPolarHBondContact O-CG2 3.4Å; M146-V154 PolarHBondContact O-N 2.88Å; G152-V154 VanDerWaalsContact C-N 3.27Å; G152-V154 PolarHBondContact O-N 3.08Å; V154-K158 HydrophobicContact CG1-CD 4.35Å; V154-K158 WeakPolarHBondContact O-CB 3.46Å; V154-K158 WeakPolarHBondContact O-CG 3.4Å; V154-K158 PolarHBondContact O-N 2.96Å; V154-V173 HydrophobicContact CG1-CG1 4.08Å; V154-V173 HydrophobicContact CG1-CG2 3.68Å; V154-V173 HydrophobicContact CG2-CG1 3.86Å
155A97.8Very high96.8Very high21 Ų2162.3 Ų62.317%0.17433%0.33CS..Hα-helixtrans-66.9-41.1178.500000111.6G148 L149 G152 L153 K158 K159G148-A155 WeakPolarHBondContact O-CB 3.28Å; L149-A155 WeakPolarHBondContact O-CB 3.34Å; G152-A155 WeakPolarHBondContact O-CB 3.43Å; G152-A155 PolarHBondContact O-N 2.57Å; L153-A155 VanDerWaalsContact C-N 3.27Å; L153-A155 PolarHBondContact O-N 2.96Å; A155-K158 PolarHBondContact O-N 3.06Å; A155-K159 WeakPolarHBondContact O-CB 3.3Å; A155-K159 PolarHBondContact O-N 3.28Å
156F98.3Very high97Very high37 Ų3763.1 Ų63.116%0.16233%0.33CS..Hα-helixtrans-66.3-43.5175.9-73.4-66.6000112.6E115 F118 G152 L153 K158 K159 E160E115-F156 HydrophobicContact CB-CE2 3.83Å; E115-F156 HydrophobicContact CB-CZ 3.81Å; E115-F156 HydrophobicContact CG-CZ 4.31Å; E115-F156 VanDerWaalsContact N-CE2 3.32Å; F118-F156 HydrophobicContact CB-CB 3.83Å; F118-F156 HydrophobicContact CB-CD2 4.29Å; F118-F156 HydrophobicContact CB-CG 4.22Å; F118-F156 HydrophobicContact CD1-CB 3.94Å; F118-F156 HydrophobicContact CD1-CG 4.36Å; F118-F156 HydrophobicContact CD2-CB 3.62Å; F118-F156 HydrophobicContact CE1-CB 4.42Å; F118-F156 HydrophobicContact CE2-CB 4.13Å; F118-F156 HydrophobicContact CG-CB 3.5Å; F118-F156 VanDerWaalsContact CG-CB 3.5Å; F118-F156 HydrophobicContact CG-CG 4.2Å; G152-F156 VanDerWaalsContact O-CD2 3.25Å; G152-F156 WeakPolarHBondContact O-CD2 3.41Å; G152-F156 PolarHBondContact O-N 2.97Å; G152-F156 VanDerWaalsContact O-N 3.08Å; L153-F156 PolarHBondContact O-N 2.7Å; L153-F156 VanDerWaalsContact O-N 3.15Å; F156-K158 VanDerWaalsContact C-N 3.34Å; F156-K158 PolarHBondContact O-N 3.39Å; F156-K159 WeakPolarHBondContact O-CB 3.13Å; F156-K159 PolarHBondContact O-N 2.7Å; F156-E160 PolarHBondContact O-N 2.9Å
157V98.3Very high97.1Very high0 Ų066.5 Ų66.50%035%0.348CS..Hα-helixtrans-58.6-46.9175.21700000110.6F118 L121 F132 L135 L138 L153 K159 E160 M161 L171F118-V157 HydrophobicContact CD2-CG2 3.98Å; F118-V157 HydrophobicContact CE2-CG2 4.19Å; L121-V157 HydrophobicContact CD2-CG2 3.86Å; F132-V157 HydrophobicContact CE1-CG1 4.19Å; L135-V157 HydrophobicContact CD2-CG1 3.99Å; L138-V157 HydrophobicContact CD2-CB 4.31Å; L138-V157 HydrophobicContact CD2-CG1 4.39Å; L138-V157 HydrophobicContact CD2-CG2 3.94Å; L153-V157 HydrophobicContact CD1-CG2 4.09Å; L153-V157 HydrophobicContact CG-CG2 4.33Å; L153-V157 VanDerWaalsContact O-CG2 3.32Å; L153-V157 WeakPolarHBondContact O-CG2 3.36Å; L153-V157 PolarHBondContact O-N 2.92Å; V157-K159 VanDerWaalsContact C-N 3.34Å; V157-K159 PolarHBondContact O-N 3.2Å; V157-E160 PolarHBondContact O-N 2.91Å; V157-M161 HydrophobicContact CG1-SD 4.35Å; V157-M161 WeakPolarHBondContact O-CG 3.4Å; V157-M161 PolarHBondContact O-N 3.1Å; V157-L171 HydrophobicContact CG1-CD2 3.64Å
158K98.2Very high97.2Very high72 Ų7264.8 Ų64.831%0.31334%0.338SS..Hα-helixtrans-63.1-39.2176.7-75.8-172.1171.1-165.40112.9V154 A155 F156 E160 M161 N162 P168 L171V154-K158 HydrophobicContact CG1-CD 4.35Å; V154-K158 WeakPolarHBondContact O-CB 3.46Å; V154-K158 WeakPolarHBondContact O-CG 3.4Å; V154-K158 PolarHBondContact O-N 2.96Å; A155-K158 PolarHBondContact O-N 3.06Å; F156-K158 VanDerWaalsContact C-N 3.34Å; F156-K158 PolarHBondContact O-N 3.39Å; K158-E160 VanDerWaalsContact C-N 3.33Å; K158-M161 PolarHBondContact O-N 3.09Å; K158-N162 PolarHBondContact O-N 2.93Å; K158-P168 HydrophobicContact CB-CB 3.87Å; K158-P168 HydrophobicContact CD-CB 4.27Å; K158-P168 HydrophobicContact CG-CB 3.9Å; K158-P168 WeakPolarHBondContact O-CG 3.35Å; K158-L171 HydrophobicContact CG-CD2 4.12Å
159K98.2Very high97.3Very high128 Ų12869.9 Ų69.956%0.55736%0.36SS*.Hα-helixtrans-62.6-42.5174.7-174.6-178.7177.4-173.80111.1A155 F156 V157 N162 N163A155-K159 WeakPolarHBondContact O-CB 3.3Å; A155-K159 PolarHBondContact O-N 3.28Å; F156-K159 WeakPolarHBondContact O-CB 3.13Å; F156-K159 PolarHBondContact O-N 2.7Å; V157-K159 VanDerWaalsContact C-N 3.34Å; V157-K159 PolarHBondContact O-N 3.2Å; K159-N162 PolarHBondContact O-N 2.82Å; K159-N163 PolarHBondContact O-N 2.95Å; K159-N163 PolarHBondContact O-ND2 3.22Å; K159-N163 PolarHBondContact O-OD1 3.28Å
160E98.1Very high97.4Very high54 Ų5467.9 Ų67.925%0.25235%0.351SS..Hα-helixtrans-67.6-41.5178.5-170.161.5-173.500112.4F118 F132 F156 V157 K158 N162 N163 L164F118-E160 HydrophobicContact CE2-CB 4.11Å; F118-E160 HydrophobicContact CZ-CB 3.78Å; F118-E160 HydrophobicContact CZ-CG 4.01Å; F132-E160 HydrophobicContact CD2-CG 4.48Å; F132-E160 HydrophobicContact CE1-CB 4.37Å; F132-E160 HydrophobicContact CE1-CG 4.25Å; F132-E160 HydrophobicContact CE2-CG 3.99Å; F132-E160 HydrophobicContact CZ-CB 4.34Å; F132-E160 HydrophobicContact CZ-CG 3.86Å; F156-E160 PolarHBondContact O-N 2.9Å; V157-E160 PolarHBondContact O-N 2.91Å; K158-E160 VanDerWaalsContact C-N 3.33Å; E160-N162 VanDerWaalsContact C-N 3.3Å; E160-N162 PolarHBondContact O-N 3.19Å; E160-N163 WeakPolarHBondContact O-CB 3.22Å; E160-N163 PolarHBondContact O-N 2.9Å; E160-N163 VanDerWaalsContact O-N 3.15Å; E160-N163 PolarHBondContact OE2-ND2 3.37Å; E160-N163 VanDerWaalsContact OE2-ND2 3.15Å; E160-L164 HydrophobicContact CG-CD1 4.22Å; E160-L164 WeakPolarHBondContact O-CG 3.33Å; E160-L164 PolarHBondContact O-N 3.26Å
161M98.2Very high97.6Very high5 Ų561.1 Ų61.13%0.02532%0.319CS..Hα-helixtrans-55.6-47.1171.4-71.6179.677.400111.3F132 V157 K158 N163 L164 S165 L166 D167 P168 L171F132-M161 HydrophobicContact CD1-CG 4.03Å; V157-M161 HydrophobicContact CG1-SD 4.35Å; V157-M161 WeakPolarHBondContact O-CG 3.4Å; V157-M161 PolarHBondContact O-N 3.1Å; K158-M161 PolarHBondContact O-N 3.09Å; M161-N163 PolarHBondContact O-N 2.87Å; M161-L164 CarbonylContact O-C 3.59Å; M161-L164 PolarHBondContact O-N 2.85Å; M161-L164 VanDerWaalsContact O-N 3.13Å; M161-S165 PolarHBondContact O-N 2.79Å; M161-L166 CarbonylContact C-O 3.56Å; M161-L166 HydrophobicContact CB-CB 4.08Å; M161-L166 HydrophobicContact CE-CB 4.35Å; M161-L166 WeakPolarHBondContact O-CA 3.22Å; M161-L166 WeakPolarHBondContact O-CB 3.43Å; M161-L166 PolarHBondContact O-N 3.1Å; M161-D167 WeakPolarHBondContact CE-O 3.42Å; M161-P168 HydrophobicContact CB-CG 4.42Å; M161-L171 HydrophobicContact CE-CB 4.15Å; M161-L171 HydrophobicContact SD-CB 3.79Å; M161-L171 HydrophobicContact SD-CD1 4.26Å; M161-L171 HydrophobicContact SD-CD2 4.14Å; M161-L171 HydrophobicContact SD-CG 4.29Å
162N97.9Very high97.6Very high104 Ų10458.3 Ų58.356%0.55631%0.311SS*.Hα-helixtrans-62.9-39.7176.7-174.170.1000112.7K158 K159 E160 L164 S165 P168K158-N162 PolarHBondContact O-N 2.93Å; K159-N162 PolarHBondContact O-N 2.82Å; E160-N162 VanDerWaalsContact C-N 3.3Å; E160-N162 PolarHBondContact O-N 3.19Å; N162-L164 PolarHBondContact O-N 3.04Å; N162-S165 PolarHBondContact O-N 3.4Å; N162-P168 HydrophobicContact CB-CG 3.94Å
163N98Very high97.6Very high96 Ų9661 Ų6151%0.51333%0.328SS..Hα-helixtrans-61-34.4174.7-65.8-22.5000112K159 E160 M161 S165K159-N163 PolarHBondContact O-N 2.95Å; K159-N163 PolarHBondContact O-ND2 3.22Å; K159-N163 PolarHBondContact O-OD1 3.28Å; E160-N163 WeakPolarHBondContact O-CB 3.22Å; E160-N163 PolarHBondContact O-N 2.9Å; E160-N163 VanDerWaalsContact O-N 3.15Å; E160-N163 PolarHBondContact OE2-ND2 3.37Å; E160-N163 VanDerWaalsContact OE2-ND2 3.15Å; M161-N163 PolarHBondContact O-N 2.87Å; N163-S165 PolarHBondContact O-N 2.86Å
164L97.9Very high97.4Very high77 Ų7763.7 Ų63.740%0.40335%0.346SS..THydrogen-bonded Turntrans-85.210.5176.9-63.8173.2000113.2F132 E160 M161 N162 L166F132-L164 HydrophobicContact CB-CD1 3.8Å; F132-L164 HydrophobicContact CD2-CD1 3.84Å; F132-L164 HydrophobicContact CG-CD1 3.94Å; E160-L164 HydrophobicContact CG-CD1 4.22Å; E160-L164 WeakPolarHBondContact O-CG 3.33Å; E160-L164 PolarHBondContact O-N 3.26Å; M161-L164 CarbonylContact O-C 3.59Å; M161-L164 PolarHBondContact O-N 2.85Å; M161-L164 VanDerWaalsContact O-N 3.13Å; N162-L164 PolarHBondContact O-N 3.04Å; L164-L166 HydrophobicContact CB-CD1 4.12Å; L164-L166 HydrophobicContact CB-CG 4.12Å; L164-L166 PolarHBondContact O-N 2.99Å
165S98.1Very high96.9Very high118 Ų11865.8 Ų65.883%0.82535%0.354SS*.THydrogen-bonded Turntrans58.829.4-177-520000114.1M161 N162 N163M161-S165 PolarHBondContact O-N 2.79Å; N162-S165 PolarHBondContact O-N 3.4Å; N163-S165 PolarHBondContact O-N 2.86Å
166L98.1Very high96.3Very high41 Ų4166.5 Ų66.522%0.21536%0.357CS..  trans-97.8148.7171.9-54.2173000109.7F132 E133 M161 L164 P168F132-L166 HydrophobicContact CB-CD1 3.75Å; E133-L166 HydrophobicContact CB-CD2 4.5Å; E133-L166 HydrophobicContact CG-CD1 4.17Å; E133-L166 HydrophobicContact CG-CD2 3.91Å; M161-L166 CarbonylContact C-O 3.56Å; M161-L166 HydrophobicContact CB-CB 4.08Å; M161-L166 HydrophobicContact CE-CB 4.35Å; M161-L166 WeakPolarHBondContact O-CA 3.22Å; M161-L166 WeakPolarHBondContact O-CB 3.43Å; M161-L166 PolarHBondContact O-N 3.1Å; L164-L166 HydrophobicContact CB-CD1 4.12Å; L164-L166 HydrophobicContact CB-CG 4.12Å; L164-L166 PolarHBondContact O-N 2.99Å; L166-P168 WeakPolarHBondContact O-CD 3.09Å
167D97.6Very high95.6Very high74 Ų7469.9 Ų69.940%0.39638%0.376SS..  trans-76.9115.2177.4-169.9-15.1000110.5M161 N169 D170M161-D167 WeakPolarHBondContact CE-O 3.42Å; D167-N169 PolarHBondContact O-N 2.79Å; D167-N169 VanDerWaalsContact O-N 3.09Å; D167-N169 VanDerWaalsContact OD1-CB 3.26Å; D167-N169 WeakPolarHBondContact OD1-CB 3.32Å; D167-N169 PolarHBondContact OD1-N 2.97Å; D167-N169 PolarHBondContact OD1-ND2 2.91Å; D167-D170 WeakPolarHBondContact O-CB 3.3Å; D167-D170 PolarHBondContact O-N 3.12Å; D167-D170 VanDerWaalsContact O-N 3.1Å
168P97.2Very high94.5Very high26 Ų2672.3 Ų72.317%0.16939%0.388CS..THydrogen-bonded Turntrans-65.5-10.9177.5-19.334.2000114.2K158 M161 N162 L166K158-P168 HydrophobicContact CB-CB 3.87Å; K158-P168 HydrophobicContact CD-CB 4.27Å; K158-P168 HydrophobicContact CG-CB 3.9Å; K158-P168 WeakPolarHBondContact O-CG 3.35Å; M161-P168 HydrophobicContact CB-CG 4.42Å; N162-P168 HydrophobicContact CB-CG 3.94Å; L166-P168 WeakPolarHBondContact O-CD 3.09Å
169N96.6Very high93.5Very high129 Ų12972.5 Ų72.569%0.6939%0.39SS*.THydrogen-bonded Turntrans-78.9-19.2174.5-59.8-57000113D167 L171D167-N169 PolarHBondContact O-N 2.79Å; D167-N169 VanDerWaalsContact O-N 3.09Å; D167-N169 VanDerWaalsContact OD1-CB 3.26Å; D167-N169 WeakPolarHBondContact OD1-CB 3.32Å; D167-N169 PolarHBondContact OD1-N 2.97Å; D167-N169 PolarHBondContact OD1-ND2 2.91Å; N169-L171 PolarHBondContact O-N 3.44Å
170D96.2Very high92.6Very high111 Ų11170.9 Ų70.959%0.59439%0.385SS*.SBendtrans-70.8-18.2173.8-70.2-22.1000111.9D167 I172D167-D170 WeakPolarHBondContact O-CB 3.3Å; D167-D170 PolarHBondContact O-N 3.12Å; D167-D170 VanDerWaalsContact O-N 3.1Å; D170-I172 PolarHBondContact O-N 3.35Å
171L97.9Very high91.7Very high7 Ų773.8 Ų73.84%0.03740%0.398CS..SBendtrans-76.8109.3176.4-173.673.3000111.3L135 L138 V157 K158 M161 N169 V173L135-L171 HydrophobicContact CD2-CD1 3.92Å; L135-L171 HydrophobicContact CG-CD1 3.82Å; L138-L171 HydrophobicContact CB-CD1 4.23Å; L138-L171 HydrophobicContact CB-CD2 4.42Å; V157-L171 HydrophobicContact CG1-CD2 3.64Å; K158-L171 HydrophobicContact CG-CD2 4.12Å; M161-L171 HydrophobicContact CE-CB 4.15Å; M161-L171 HydrophobicContact SD-CB 3.79Å; M161-L171 HydrophobicContact SD-CD1 4.26Å; M161-L171 HydrophobicContact SD-CD2 4.14Å; M161-L171 HydrophobicContact SD-CG 4.29Å; N169-L171 PolarHBondContact O-N 3.44Å; L171-V173 HydrophobicContact CD2-CG2 3.98Å; L171-V173 HydrophobicContact CG-CG2 4.18Å; L171-V173 PolarHBondContact O-N 3.4Å
172I97.2Very high90.7Very high109 Ų10975.8 Ų75.856%0.55941%0.413SS*.EExtended strand (participates in β ladder)trans-74.9108.2171.3-58.3175.3000109.1S136 G137 L138 D170S136-I172 WeakPolarHBondContact O-CB 3.41Å; S136-I172 PolarHBondContact O-N 3.01Å; G137-I172 CarbonylContact C-O 3.5Å; G137-I172 WeakPolarHBondContact CA-O 3.33Å; L138-I172 PolarHBondContact N-O 3.32Å; D170-I172 PolarHBondContact O-N 3.35Å
173V95.7Very high89.8Confident57 Ų5774.8 Ų74.835%0.34541%0.407SS..EExtended strand (participates in β ladder)trans-92.4114.2175.3-177.80000109.1L138 V154 L171L138-V173 WeakPolarHBondContact O-CA 3.48Å; V154-V173 HydrophobicContact CG1-CG1 4.08Å; V154-V173 HydrophobicContact CG1-CG2 3.68Å; V154-V173 HydrophobicContact CG2-CG1 3.86Å; L171-V173 HydrophobicContact CD2-CG2 3.98Å; L171-V173 HydrophobicContact CG-CG2 4.18Å; L171-V173 PolarHBondContact O-N 3.4Å
174C92.3Very high88.9Confident56 Ų5673.9 Ų73.938%0.37841%0.407SS..EExtended strand (participates in β ladder)trans-102.3134.7174.7-66.20000110.3L138 T139 T140L138-C174 PolarHBondContact O-N 3.06Å; T139-C174 VanDerWaalsContact CA-O 3.29Å; T139-C174 WeakPolarHBondContact CA-O 3.19Å; T139-C174 HydrophobicContact CG2-CB 4.16Å; T140-C174 PolarHBondContact N-O 3.02Å; T140-C174 VanDerWaalsContact N-O 3.12Å
175H87.4Confident88Confident60 Ų6071.5 Ų71.528%0.27840%0.399SS..EExtended strand (participates in β ladder)trans-79.1149.1164.2-160.7-70.7000109T140 D141 G142 I177 H179 Q180T140-H175 CarbonylContact O-C 3.41Å; D141-H175 PolarHBondContact O-CE1 3.03Å; G142-H175 WeakPolarHBondContact CA-NE2 3.29Å; H175-I177 PolarHBondContact O-N 2.95Å; H175-H179 AromaticContact CE1-CD2 3.21Å; H175-H179 PolarHBondContact CE1-CD2 3.49Å; H175-H179 AromaticContact CE1-CG 3.44Å; H175-H179 VanDerWaalsContact CE1-CG 3.44Å; H175-H179 AromaticContact NE2-CD2 3.93Å; H175-Q180 HydrophobicContact CB-CG 4.33Å
176C85Confident87Confident35 Ų3574.2 Ų74.224%0.23639%0.391CS..  trans-53.8112.4169.3-179.30000109.7T140 I178 H179 Q180T140-C176 WeakPolarHBondContact O-CB 3.28Å; T140-C176 PolarHBondContact O-N 3.06Å; C176-I178 PolarHBondContact O-N 3.06Å; C176-H179 HydrophobicContact CB-CB 4.05Å; C176-H179 WeakPolarHBondContact O-CB 3.47Å; C176-H179 PolarHBondContact O-N 3.24Å; C176-Q180 PolarHBondContact O-N 2.84Å; C176-Q180 VanDerWaalsContact O-N 3.17Å
177I83.4Confident86.2Confident109 Ų10976.3 Ų76.356%0.55941%0.409SS*.Hα-helixtrans-59.1-33-179.3-171164.3000111.5H175 Q180 Q181H175-I177 PolarHBondContact O-N 2.95Å; I177-Q180 WeakPolarHBondContact O-CB 3.34Å; I177-Q180 PolarHBondContact O-N 3.25Å; I177-Q181 WeakPolarHBondContact O-CG 3.4Å; I177-Q181 PolarHBondContact O-N 3.17Å
178I76.3Confident85.5Confident50 Ų5078.2 Ų78.226%0.25642%0.419SS..Hα-helixtrans-65.3-42177.2-73.8162.3000111.1C176 Q180 Q181 S182 W236C176-I178 PolarHBondContact O-N 3.06Å; I178-Q180 VanDerWaalsContact C-N 3.32Å; I178-Q180 PolarHBondContact O-N 3.19Å; I178-Q181 PolarHBondContact O-N 3.43Å; I178-S182 WeakPolarHBondContact O-CB 3.48Å; I178-S182 PolarHBondContact O-N 2.92Å; I178-W236 HydrophobicContact CB-CD2 4.4Å; I178-W236 HydrophobicContact CB-CE3 4.14Å; I178-W236 HydrophobicContact CB-CZ3 4.23Å; I178-W236 HydrophobicContact CD1-CE3 4.36Å; I178-W236 HydrophobicContact CD1-CH2 3.42Å; I178-W236 VanDerWaalsContact CD1-CH2 3.42Å; I178-W236 HydrophobicContact CD1-CZ2 3.72Å; I178-W236 HydrophobicContact CD1-CZ3 3.74Å; I178-W236 HydrophobicContact CG1-CE3 4.03Å; I178-W236 HydrophobicContact CG1-CH2 3.86Å; I178-W236 HydrophobicContact CG1-CZ2 4.42Å; I178-W236 HydrophobicContact CG1-CZ3 3.6Å; I178-W236 HydrophobicContact CG2-CB 3.86Å; I178-W236 HydrophobicContact CG2-CD2 3.12Å; I178-W236 HydrophobicContact CG2-CE3 3.16Å; I178-W236 HydrophobicContact CG2-CG 3.42Å; I178-W236 VanDerWaalsContact CG2-CG 3.42Å; I178-W236 HydrophobicContact CG2-CH2 4.22Å; I178-W236 HydrophobicContact CG2-CZ2 4.22Å; I178-W236 HydrophobicContact CG2-CZ3 3.69Å
179H76.5Confident84.8Confident77 Ų7786.6 Ų86.636%0.35645%0.447SS..Hα-helixtrans-62.1-43.4174.2-177.9101.7000110.6H175 C176 Q181 S182 L183H175-H179 AromaticContact CE1-CD2 3.21Å; H175-H179 PolarHBondContact CE1-CD2 3.49Å; H175-H179 AromaticContact CE1-CG 3.44Å; H175-H179 VanDerWaalsContact CE1-CG 3.44Å; H175-H179 AromaticContact NE2-CD2 3.93Å; C176-H179 HydrophobicContact CB-CB 4.05Å; C176-H179 WeakPolarHBondContact O-CB 3.47Å; C176-H179 PolarHBondContact O-N 3.24Å; H179-Q181 PolarHBondContact O-N 2.82Å; H179-S182 WeakPolarHBondContact O-CB 3.37Å; H179-S182 PolarHBondContact O-N 2.8Å; H179-L183 VanDerWaalsContact CD2-CD1 3.5Å; H179-L183 WeakPolarHBondContact CD2-CD1 3.5Å; H179-L183 WeakPolarHBondContact NE2-CD1 3.42Å; H179-L183 WeakPolarHBondContact O-CG 3.46Å; H179-L183 PolarHBondContact O-N 3.47Å
180Q79.2Confident84.2Confident93 Ų9384.2 Ų84.244%0.43543%0.431SS..Hα-helixtrans-61.9-44.1176.5-64.5179.9-43.500111.9H175 C176 I177 I178 S182 L183 C184H175-Q180 HydrophobicContact CB-CG 4.33Å; C176-Q180 PolarHBondContact O-N 2.84Å; C176-Q180 VanDerWaalsContact O-N 3.17Å; I177-Q180 WeakPolarHBondContact O-CB 3.34Å; I177-Q180 PolarHBondContact O-N 3.25Å; I178-Q180 VanDerWaalsContact C-N 3.32Å; I178-Q180 PolarHBondContact O-N 3.19Å; Q180-S182 VanDerWaalsContact C-N 3.33Å; Q180-S182 PolarHBondContact O-N 3.27Å; Q180-L183 WeakPolarHBondContact O-CB 2.85Å; Q180-L183 PolarHBondContact O-N 3.49Å; Q180-C184 PolarHBondContact O-N 3.21Å; Q180-C184 PolarHBondContact O-SG 3.02Å
181Q79.9Confident83.8Confident115 Ų11584.7 Ų84.754%0.53743%0.433SS..Hα-helixtrans-60.8-40.9174.8-74.4177.2-8.400112I177 I178 H179 C184 A185I177-Q181 WeakPolarHBondContact O-CG 3.4Å; I177-Q181 PolarHBondContact O-N 3.17Å; I178-Q181 PolarHBondContact O-N 3.43Å; H179-Q181 PolarHBondContact O-N 2.82Å; Q181-C184 PolarHBondContact O-N 3.31Å; Q181-A185 WeakPolarHBondContact O-CB 3.09Å; Q181-A185 PolarHBondContact O-N 2.93Å
182S77.3Confident83.4Confident47 Ų4789.2 Ų89.233%0.32946%0.457SS..Hα-helixtrans-61.6-43.4174.3-1770000111.9I178 H179 Q180 A185 R186I178-S182 WeakPolarHBondContact O-CB 3.48Å; I178-S182 PolarHBondContact O-N 2.92Å; H179-S182 WeakPolarHBondContact O-CB 3.37Å; H179-S182 PolarHBondContact O-N 2.8Å; Q180-S182 VanDerWaalsContact C-N 3.33Å; Q180-S182 PolarHBondContact O-N 3.27Å; S182-A185 PolarHBondContact O-N 3.33Å; S182-R186 PolarHBondContact O-N 3.16Å; S182-R186 VanDerWaalsContact O-N 3.14Å
183L78.5Confident83.2Confident83 Ų8385.3 Ų85.344%0.43544%0.439SS..Hα-helixtrans-63.4-44.5174.4-70.1-179.9000112.2H179 Q180 A185 R186 S187H179-L183 VanDerWaalsContact CD2-CD1 3.5Å; H179-L183 WeakPolarHBondContact CD2-CD1 3.5Å; H179-L183 WeakPolarHBondContact NE2-CD1 3.42Å; H179-L183 WeakPolarHBondContact O-CG 3.46Å; H179-L183 PolarHBondContact O-N 3.47Å; Q180-L183 WeakPolarHBondContact O-CB 2.85Å; Q180-L183 PolarHBondContact O-N 3.49Å; L183-A185 VanDerWaalsContact C-N 3.33Å; L183-A185 PolarHBondContact O-N 3.37Å; L183-R186 WeakPolarHBondContact O-CB 3.41Å; L183-R186 PolarHBondContact O-N 3.35Å; L183-R186 VanDerWaalsContact O-N 3.11Å; L183-S187 PolarHBondContact O-N 3.15Å; L183-S187 VanDerWaalsContact O-N 3.12Å
184C79.6Confident83.1Confident77 Ų7783.3 Ų83.352%0.5243%0.426SS..Hα-helixtrans-60.3-41.3174.2-68.80000111.7Q180 Q181 R186 S187 L188Q180-C184 PolarHBondContact O-N 3.21Å; Q180-C184 PolarHBondContact O-SG 3.02Å; Q181-C184 PolarHBondContact O-N 3.31Å; C184-R186 PolarHBondContact O-N 3.48Å; C184-S187 PolarHBondContact O-N 3.12Å; C184-S187 VanDerWaalsContact O-N 3.09Å; C184-S187 PolarHBondContact O-OG 2.93Å; C184-L188 PolarHBondContact O-N 2.79Å
185A77.7Confident83.2Confident28 Ų2884 Ų8423%0.23143%0.431CS..Hα-helixtrans-63.8-28176.500000112.6Q181 S182 L183 R239Q181-A185 WeakPolarHBondContact O-CB 3.09Å; Q181-A185 PolarHBondContact O-N 2.93Å; S182-A185 PolarHBondContact O-N 3.33Å; L183-A185 VanDerWaalsContact C-N 3.33Å; L183-A185 PolarHBondContact O-N 3.37Å; A185-R239 PolarHBondContact O-NH1 3.45Å
186R77.2Confident83.6Confident174 Ų17481.9 Ų81.966%0.65742%0.423SS*.Hα-helixtrans-73.5-35.5172.4-69.7177.667.7-174.31.8112.3S182 L183 C184 L188 R189S182-R186 PolarHBondContact O-N 3.16Å; S182-R186 VanDerWaalsContact O-N 3.14Å; L183-R186 WeakPolarHBondContact O-CB 3.41Å; L183-R186 PolarHBondContact O-N 3.35Å; L183-R186 VanDerWaalsContact O-N 3.11Å; C184-R186 PolarHBondContact O-N 3.48Å; R186-L188 VanDerWaalsContact C-N 3.27Å; R186-L188 PolarHBondContact O-N 3.21Å; R186-R189 PolarHBondContact O-N 3.23Å
187S82.4Confident84.1Confident86 Ų8680.3 Ų80.360%0.60141%0.412SS*.Hα-helixtrans-69.2-25.9178.870.40000113L183 C184 R189L183-S187 PolarHBondContact O-N 3.15Å; L183-S187 VanDerWaalsContact O-N 3.12Å; C184-S187 PolarHBondContact O-N 3.12Å; C184-S187 VanDerWaalsContact O-N 3.09Å; C184-S187 PolarHBondContact O-OG 2.93Å; S187-R189 PolarHBondContact O-N 2.85Å
188L82.4Confident84.7Confident114 Ų11476.9 Ų76.960%0.59740%0.396SS*.THydrogen-bonded Turntrans-68.5-11.8175.2-67.8174.4000114.3C184 R186 F190C184-L188 PolarHBondContact O-N 2.79Å; R186-L188 VanDerWaalsContact C-N 3.27Å; R186-L188 PolarHBondContact O-N 3.21Å; L188-F190 VanDerWaalsContact C-N 3.35Å; L188-F190 HydrophobicContact CB-CD2 3.75Å; L188-F190 HydrophobicContact CB-CE2 3.6Å; L188-F190 HydrophobicContact CB-CZ 4.34Å; L188-F190 HydrophobicContact CD1-CD2 4.36Å; L188-F190 HydrophobicContact CD1-CE2 3.47Å; L188-F190 VanDerWaalsContact CD1-CE2 3.47Å; L188-F190 HydrophobicContact CD1-CZ 4.07Å; L188-F190 HydrophobicContact CG-CE2 4.17Å; L188-F190 PolarHBondContact O-N 2.83Å
189R82.9Confident85.6Confident202 Ų20278.1 Ų78.176%0.76241%0.409SS*.THydrogen-bonded Turntrans50.546.3175.7-61-179.5-179.4-179.70.5114.2R186 S187 N191R186-R189 PolarHBondContact O-N 3.23Å; S187-R189 PolarHBondContact O-N 2.85Å; R189-N191 PolarHBondContact O-N 3.32Å
190F83.7Confident86.6Confident79 Ų7974.6 Ų74.635%0.34639%0.393SS..THydrogen-bonded Turntrans-63.420.7175.3-77.3-67.7000115.6L188 N192 V193 M194L188-F190 VanDerWaalsContact C-N 3.35Å; L188-F190 HydrophobicContact CB-CD2 3.75Å; L188-F190 HydrophobicContact CB-CE2 3.6Å; L188-F190 HydrophobicContact CB-CZ 4.34Å; L188-F190 HydrophobicContact CD1-CD2 4.36Å; L188-F190 HydrophobicContact CD1-CE2 3.47Å; L188-F190 VanDerWaalsContact CD1-CE2 3.47Å; L188-F190 HydrophobicContact CD1-CZ 4.07Å; L188-F190 HydrophobicContact CG-CE2 4.17Å; L188-F190 PolarHBondContact O-N 2.83Å; F190-N192 PolarHBondContact O-N 3.27Å; F190-V193 HydrophobicContact CD1-CB 4.48Å; F190-V193 HydrophobicContact CD1-CG2 4.34Å; F190-V193 PolarHBondContact O-N 3.44Å; F190-M194 HydrophobicContact CB-CG 4.01Å; F190-M194 WeakPolarHBondContact O-CB 3.44Å; F190-M194 WeakPolarHBondContact O-CG 3.42Å; F190-M194 PolarHBondContact O-N 3.36Å
191N87.6Confident87.4Confident121 Ų12170.2 Ų70.265%0.64737%0.373SS*.Hα-helixtrans-59.3-35.4-173-69.1-10.8000112.4R189 V193 S195R189-N191 PolarHBondContact O-N 3.32Å; N191-V193 VanDerWaalsContact C-N 3.35Å; N191-S195 WeakPolarHBondContact O-CB 3.44Å; N191-S195 PolarHBondContact O-N 3.2Å; N191-S195 PolarHBondContact O-OG 3.14Å
192N90.5Very high88.1Confident101 Ų10168 Ų6854%0.5437%0.365SS..Hα-helixtrans-66.8-31.917764.5-38.6000113.5F190 V196F190-N192 PolarHBondContact O-N 3.27Å; N192-V196 WeakPolarHBondContact O-CG2 3.22Å
193V93Very high88.9Confident28 Ų2866.7 Ų66.717%0.1736%0.355CS..Hα-helixtrans-84.6-47.8176.1177.30000109.8F190 N191 S195 V196 V197 L243 W272F190-V193 HydrophobicContact CD1-CB 4.48Å; F190-V193 HydrophobicContact CD1-CG2 4.34Å; F190-V193 PolarHBondContact O-N 3.44Å; N191-V193 VanDerWaalsContact C-N 3.35Å; V193-S195 PolarHBondContact O-N 3.43Å; V193-V196 PolarHBondContact O-N 3.23Å; V193-V197 HydrophobicContact CG1-CG2 4.27Å; V193-V197 WeakPolarHBondContact O-CG2 3.5Å; V193-V197 PolarHBondContact O-N 2.86Å; V193-V197 VanDerWaalsContact O-N 3.08Å; V193-L243 HydrophobicContact CG1-CD2 3.93Å; V193-W272 HydrophobicContact CB-CZ2 4.2Å; V193-W272 HydrophobicContact CG1-CH2 4.24Å; V193-W272 HydrophobicContact CG1-CZ2 3.79Å; V193-W272 HydrophobicContact CG2-CZ2 4.36Å
194M92.3Very high89.8Confident14 Ų1462.7 Ų62.77%0.06933%0.334CS..Hα-helixtrans-63.8-39.4-175.9-71.8-56.8-55.600112.7F190 V196 V197 V198 R239 L243F190-M194 HydrophobicContact CB-CG 4.01Å; F190-M194 WeakPolarHBondContact O-CB 3.44Å; F190-M194 WeakPolarHBondContact O-CG 3.42Å; F190-M194 PolarHBondContact O-N 3.36Å; M194-V196 VanDerWaalsContact C-N 3.31Å; M194-V196 PolarHBondContact O-N 2.93Å; M194-V197 PolarHBondContact O-N 2.86Å; M194-V198 HydrophobicContact CE-CG2 4.01Å; M194-V198 VanDerWaalsContact O-CB 3.27Å; M194-V198 WeakPolarHBondContact O-CB 3.4Å; M194-V198 WeakPolarHBondContact O-CG2 3.39Å; M194-V198 PolarHBondContact O-N 3.12Å; M194-R239 HydrophobicContact CE-CG 3.99Å; M194-R239 HydrophobicContact SD-CG 3.66Å; M194-L243 HydrophobicContact SD-CD1 3.92Å; M194-L243 HydrophobicContact SD-CD2 3.84Å; M194-L243 HydrophobicContact SD-CG 3.93Å
195S94.1Very high90.5Very high71 Ų7159.7 Ų59.750%0.49731%0.312SS..Hα-helixtrans-61.1-41.5179.162.50000112.1N191 V193 S199N191-S195 WeakPolarHBondContact O-CB 3.44Å; N191-S195 PolarHBondContact O-N 3.2Å; N191-S195 PolarHBondContact O-OG 3.14Å; V193-S195 PolarHBondContact O-N 3.43Å; S195-S199 WeakPolarHBondContact O-CB 3.44Å; S195-S199 PolarHBondContact O-N 2.7Å
196V96.1Very high91.2Very high16 Ų1662 Ų6210%0.09733%0.327CS..Hα-helixtrans-66.4-50.4178.2177.40000110.2N192 V193 M194 S199 C200 V264 E266 W272N192-V196 WeakPolarHBondContact O-CG2 3.22Å; V193-V196 PolarHBondContact O-N 3.23Å; M194-V196 VanDerWaalsContact C-N 3.31Å; M194-V196 PolarHBondContact O-N 2.93Å; V196-S199 PolarHBondContact O-N 3.39Å; V196-C200 PolarHBondContact O-N 3.12Å; V196-C200 PolarHBondContact O-SG 2.79Å; V196-V264 HydrophobicContact CG1-CG1 3.58Å; V196-E266 HydrophobicContact CG1-CB 4.09Å; V196-E266 HydrophobicContact CG1-CG 4.27Å; V196-E266 HydrophobicContact CG2-CG 3.9Å; V196-W272 HydrophobicContact CB-CZ2 4.01Å; V196-W272 HydrophobicContact CG1-CH2 4.36Å; V196-W272 HydrophobicContact CG1-CZ2 4.06Å; V196-W272 HydrophobicContact CG2-CZ2 4.46Å
197V96Very high91.9Very high1 Ų159.9 Ų59.91%0.00632%0.322CS..Hα-helixtrans-61.3-49.9-178.9171.70000111.1V193 M194 S199 C200 V201 T242 L243 F246 W272V193-V197 HydrophobicContact CG1-CG2 4.27Å; V193-V197 WeakPolarHBondContact O-CG2 3.5Å; V193-V197 PolarHBondContact O-N 2.86Å; V193-V197 VanDerWaalsContact O-N 3.08Å; M194-V197 PolarHBondContact O-N 2.86Å; V197-S199 PolarHBondContact O-N 3.02Å; V197-C200 PolarHBondContact O-N 3.43Å; V197-V201 HydrophobicContact CG1-CG2 4.34Å; V197-V201 WeakPolarHBondContact O-CB 3.4Å; V197-V201 VanDerWaalsContact O-CG2 3.26Å; V197-V201 WeakPolarHBondContact O-CG2 3.48Å; V197-V201 PolarHBondContact O-N 2.99Å; V197-T242 HydrophobicContact CG1-CG2 3.82Å; V197-L243 HydrophobicContact CB-CD2 4.47Å; V197-L243 HydrophobicContact CG1-CD2 4.36Å; V197-L243 HydrophobicContact CG2-CD2 3.93Å; V197-F246 HydrophobicContact CB-CD2 4.45Å; V197-F246 HydrophobicContact CB-CG 4.43Å; V197-F246 HydrophobicContact CG1-CB 4Å; V197-F246 HydrophobicContact CG1-CD1 4.26Å; V197-F246 HydrophobicContact CG1-CD2 3.79Å; V197-F246 HydrophobicContact CG1-CE2 4.3Å; V197-F246 HydrophobicContact CG1-CG 3.75Å; V197-F246 HydrophobicContact CG2-CD1 3.71Å; V197-F246 HydrophobicContact CG2-CD2 4.47Å; V197-F246 HydrophobicContact CG2-CE1 3.73Å; V197-F246 HydrophobicContact CG2-CE2 4.48Å; V197-F246 HydrophobicContact CG2-CG 4.08Å; V197-F246 HydrophobicContact CG2-CZ 4.14Å; V197-W272 HydrophobicContact CG2-CH2 4.16Å
198V95.1Very high92.4Very high37 Ų3757.9 Ų57.922%0.22432%0.315CS..Hα-helixtrans-61.8-44.3179.3172.30000110.7M194 C200 V201 D202 H231M194-V198 HydrophobicContact CE-CG2 4.01Å; M194-V198 VanDerWaalsContact O-CB 3.27Å; M194-V198 WeakPolarHBondContact O-CB 3.4Å; M194-V198 WeakPolarHBondContact O-CG2 3.39Å; M194-V198 PolarHBondContact O-N 3.12Å; V198-C200 VanDerWaalsContact C-N 3.33Å; V198-C200 PolarHBondContact O-N 3.43Å; V198-V201 PolarHBondContact O-N 3.47Å; V198-D202 WeakPolarHBondContact CG1-OD2 3.43Å; V198-D202 WeakPolarHBondContact O-CB 3.45Å; V198-D202 VanDerWaalsContact O-CG 3.29Å; V198-D202 PolarHBondContact O-N 2.76Å; V198-H231 HydrophobicContact CG2-CB 3.82Å
199S95.8Very high93Very high76 Ų7657.6 Ų57.653%0.53131%0.311SS..Hα-helixtrans-58.1-43.2176.8179.50000112.7S195 V196 V197 C203S195-S199 WeakPolarHBondContact O-CB 3.44Å; S195-S199 PolarHBondContact O-N 2.7Å; V196-S199 PolarHBondContact O-N 3.39Å; V197-S199 PolarHBondContact O-N 3.02Å; S199-C203 VanDerWaalsContact O-CB 3.25Å; S199-C203 WeakPolarHBondContact O-CB 3.22Å; S199-C203 PolarHBondContact O-N 3.39Å
200C96.8Very high93.5Very high3 Ų348.9 Ų48.92%0.0228%0.279CS..Hα-helixtrans-65.7-49176.3-65.30000111.6V196 V197 V198 D202 C203 I204 F246 V253 V264V196-C200 PolarHBondContact O-N 3.12Å; V196-C200 PolarHBondContact O-SG 2.79Å; V197-C200 PolarHBondContact O-N 3.43Å; V198-C200 VanDerWaalsContact C-N 3.33Å; V198-C200 PolarHBondContact O-N 3.43Å; C200-D202 VanDerWaalsContact C-N 3.32Å; C200-D202 PolarHBondContact O-N 2.99Å; C200-C203 PolarHBondContact O-N 3.26Å; C200-I204 WeakPolarHBondContact O-CG1 3.42Å; C200-I204 PolarHBondContact O-N 3.28Å; C200-F246 HydrophobicContact CB-CE2 3.6Å; C200-F246 HydrophobicContact CB-CZ 4.14Å; C200-V253 HydrophobicContact CB-CG1 4.2Å; C200-V264 VanDerWaalsContact SG-CG2 3.52Å
201V96.3Very high94.1Very high1 Ų146.6 Ų46.61%0.00627%0.27CS..Hα-helixtrans-58.7-45.6178.7170.60000110.5V197 V198 I204 K205 L228 Y230 T242 F246V197-V201 HydrophobicContact CG1-CG2 4.34Å; V197-V201 WeakPolarHBondContact O-CB 3.4Å; V197-V201 VanDerWaalsContact O-CG2 3.26Å; V197-V201 WeakPolarHBondContact O-CG2 3.48Å; V197-V201 PolarHBondContact O-N 2.99Å; V198-V201 PolarHBondContact O-N 3.47Å; V201-I204 PolarHBondContact O-N 3.18Å; V201-K205 HydrophobicContact CG1-CD 3.74Å; V201-K205 HydrophobicContact CG1-CG 4.19Å; V201-K205 VanDerWaalsContact O-CB 3.26Å; V201-K205 WeakPolarHBondContact O-CB 3.3Å; V201-K205 WeakPolarHBondContact O-CG 3.32Å; V201-K205 PolarHBondContact O-N 2.99Å; V201-L228 HydrophobicContact CG2-CD1 4.3Å; V201-Y230 HydrophobicContact CG1-CD1 4.09Å; V201-T242 HydrophobicContact CG2-CG2 4.28Å; V201-F246 HydrophobicContact CG2-CD2 4.15Å
202D95.2Very high94.6Very high69 Ų6948 Ų4837%0.36927%0.266SS..Hα-helixtrans-65.5-42.6178.2-72.9-18.2000111.1V198 C200 I204 S206V198-D202 WeakPolarHBondContact CG1-OD2 3.43Å; V198-D202 WeakPolarHBondContact O-CB 3.45Å; V198-D202 VanDerWaalsContact O-CG 3.29Å; V198-D202 PolarHBondContact O-N 2.76Å; C200-D202 VanDerWaalsContact C-N 3.32Å; C200-D202 PolarHBondContact O-N 2.99Å; D202-I204 VanDerWaalsContact C-N 3.26Å; D202-I204 PolarHBondContact O-N 3.3Å; D202-S206 WeakPolarHBondContact O-CB 3.38Å; D202-S206 PolarHBondContact O-N 3.45Å; D202-S206 PolarHBondContact O-OG 3.07Å
203C95.1Very high94.9Very high19 Ų1945.7 Ų45.713%0.12825%0.254CS..Hα-helixtrans-59.2-38.6177.3-174.40000112.7S199 C200 N210 M257 K262S199-C203 VanDerWaalsContact O-CB 3.25Å; S199-C203 WeakPolarHBondContact O-CB 3.22Å; S199-C203 PolarHBondContact O-N 3.39Å; C200-C203 PolarHBondContact O-N 3.26Å; C203-N210 PolarHBondContact O-ND2 2.94Å; C203-M257 HydrophobicContact CB-CE 4.1Å; C203-M257 HydrophobicContact CB-SD 4.16Å; C203-K262 VanDerWaalsContact SG-CD 3.52Å; C203-K262 PolarHBondContact SG-NZ 3.36Å; C203-K262 VanDerWaalsContact SG-NZ 3.36Å
204I95.8Very high95.1Very high0 Ų044.3 Ų44.30%025%0.246CC..Hα-helixtrans-78.7-50.9179.8-66.9168.3000110.8C200 V201 D202 N210 N211 F214 L228 V253 F256 M257C200-I204 WeakPolarHBondContact O-CG1 3.42Å; C200-I204 PolarHBondContact O-N 3.28Å; V201-I204 PolarHBondContact O-N 3.18Å; D202-I204 VanDerWaalsContact C-N 3.26Å; D202-I204 PolarHBondContact O-N 3.3Å; I204-N210 CarbonylContact O-C 3.38Å; I204-N210 WeakPolarHBondContact O-CB 3.31Å; I204-N211 WeakPolarHBondContact O-CA 3.46Å; I204-N211 PolarHBondContact O-N 3.2Å; I204-F214 HydrophobicContact CD1-CD2 4.25Å; I204-F214 HydrophobicContact CD1-CE2 4.15Å; I204-F214 HydrophobicContact CD1-CZ 4.38Å; I204-F214 HydrophobicContact CG2-CB 3.61Å; I204-F214 HydrophobicContact CG2-CD1 3.62Å; I204-F214 HydrophobicContact CG2-CD2 4.22Å; I204-F214 HydrophobicContact CG2-CE1 4.34Å; I204-F214 HydrophobicContact CG2-CG 3.54Å; I204-L228 HydrophobicContact CB-CD1 4.32Å; I204-L228 HydrophobicContact CD1-CD1 3.59Å; I204-L228 HydrophobicContact CG2-CD1 4.23Å; I204-V253 HydrophobicContact CD1-CG1 4.21Å; I204-V253 HydrophobicContact CD1-CG2 4.31Å; I204-F256 HydrophobicContact CD1-CD1 4.2Å; I204-F256 HydrophobicContact CG1-CD1 3.88Å; I204-F256 HydrophobicContact CG1-CE1 3.97Å; I204-M257 HydrophobicContact CD1-CG 4.5Å; I204-M257 HydrophobicContact CD1-SD 4.32Å; I204-M257 HydrophobicContact CG1-SD 4.13Å
205K94.4Very high95.3Very high13 Ų1347.7 Ų47.76%0.05726%0.26CS..Hα-helixtrans-88.9-32.4-166.5-61.9-168.774.173.60114.4V201 K207 D227 L228 Y230V201-K205 HydrophobicContact CG1-CD 3.74Å; V201-K205 HydrophobicContact CG1-CG 4.19Å; V201-K205 VanDerWaalsContact O-CB 3.26Å; V201-K205 WeakPolarHBondContact O-CB 3.3Å; V201-K205 WeakPolarHBondContact O-CG 3.32Å; V201-K205 PolarHBondContact O-N 2.99Å; K205-K207 PolarHBondContact O-N 2.98Å; K205-D227 IonicContact NZ-OD1 2.7Å; K205-D227 PolarHBondContact NZ-OD1 3.34Å; K205-D227 IonicContact NZ-OD2 2.8Å; K205-D227 PolarHBondContact NZ-OD2 2.9Å; K205-L228 HydrophobicContact CD-CB 4.02Å; K205-L228 WeakPolarHBondContact CE-O 3.29Å; K205-L228 HydrophobicContact CG-CB 4.38Å; K205-L228 PolarHBondContact NZ-O 2.78Å; K205-Y230 HydrophobicContact CB-CD1 4.34Å; K205-Y230 HydrophobicContact CB-CE1 3.57Å; K205-Y230 HydrophobicContact CB-CE2 3.87Å; K205-Y230 VanDerWaalsContact CB-OH 3.31Å; K205-Y230 WeakPolarHBondContact CB-OH 3.49Å; K205-Y230 HydrophobicContact CD-CD1 4.14Å; K205-Y230 HydrophobicContact CD-CD2 4Å; K205-Y230 HydrophobicContact CD-CE1 4.19Å; K205-Y230 HydrophobicContact CD-CE2 4.06Å; K205-Y230 HydrophobicContact CD-CG 4.05Å; K205-Y230 VanDerWaalsContact CE-CD2 3.45Å; K205-Y230 HydrophobicContact CG-CE1 4.49Å; K205-Y230 PolarHBondContact O-OH 3.35Å
206S92.2Very high95.4Very high77 Ų7749.4 Ų49.454%0.53826%0.26SS..SBendtrans-62.3-28.2-174.365.30000112.7D202 Y230D202-S206 WeakPolarHBondContact O-CB 3.38Å; D202-S206 PolarHBondContact O-N 3.45Å; D202-S206 PolarHBondContact O-OG 3.07Å; S206-Y230 WeakPolarHBondContact CA-OH 3.47Å; S206-Y230 PolarHBondContact N-OH 3.09Å
207K92Very high95.4Very high130 Ų13050.8 Ų50.857%0.56527%0.265SS*.SBendtrans-101118.3175.8-60.7-174.2-176.9-174.40110K205 H209 N210 N211K205-K207 PolarHBondContact O-N 2.98Å; K207-H209 PolarHBondContact O-N 3.02Å; K207-H209 VanDerWaalsContact O-N 3.11Å; K207-N210 HydrophobicContact CB-CB 4.11Å; K207-N210 PolarHBondContact O-N 3.19Å; K207-N211 PolarHBondContact O-N 2.96Å
208G92.9Very high95.5Very high43 Ų4350.8 Ų50.844%0.44327%0.265SS..Hα-helixtrans-54.6-34.5179.800000114.2R212G208-R212 WeakPolarHBondContact O-CG 3.06Å; G208-R212 PolarHBondContact O-N 3.08Å; G208-R212 VanDerWaalsContact O-N 3.09Å
209H95Very high95.5Very high109 Ų10955.2 Ų55.251%0.50529%0.287SS..Hα-helixtrans-67.7-46.2174.9177.861.8000112.9K207 N211 R212 L213K207-H209 PolarHBondContact O-N 3.02Å; K207-H209 VanDerWaalsContact O-N 3.11Å; H209-N211 VanDerWaalsContact C-N 3.31Å; H209-N211 PolarHBondContact O-N 3.03Å; H209-R212 PolarHBondContact O-N 3.11Å; H209-L213 WeakPolarHBondContact NE2-CD1 3.33Å; H209-L213 WeakPolarHBondContact O-CG 3.26Å; H209-L213 PolarHBondContact O-N 3.36Å
210N94.3Very high95.5Very high19 Ų1958.8 Ų58.810%0.10230%0.296CS..Hα-helixtrans-62.8-41177-75.3-6000111.2C203 I204 K207 L213 F214 F256C203-N210 PolarHBondContact O-ND2 2.94Å; I204-N210 CarbonylContact O-C 3.38Å; I204-N210 WeakPolarHBondContact O-CB 3.31Å; K207-N210 HydrophobicContact CB-CB 4.11Å; K207-N210 PolarHBondContact O-N 3.19Å; N210-L213 PolarHBondContact O-N 3.26Å; N210-F214 WeakPolarHBondContact O-CB 3.36Å; N210-F214 PolarHBondContact O-N 3.01Å; N210-F256 WeakPolarHBondContact O-CZ 3.46Å
211N96.1Very high95.4Very high31 Ų3162.4 Ų62.417%0.16631%0.314CS..Hα-helixtrans-61-47178-170.912.4000111.1I204 K207 H209 F214 K215 D227I204-N211 WeakPolarHBondContact O-CA 3.46Å; I204-N211 PolarHBondContact O-N 3.2Å; K207-N211 PolarHBondContact O-N 2.96Å; H209-N211 VanDerWaalsContact C-N 3.31Å; H209-N211 PolarHBondContact O-N 3.03Å; N211-F214 PolarHBondContact O-N 3.33Å; N211-K215 VanDerWaalsContact O-CG 3.32Å; N211-K215 WeakPolarHBondContact O-CG 3.43Å; N211-K215 PolarHBondContact O-N 3.18Å; N211-K215 WeakPolarHBondContact OD1-CE 3.46Å; N211-D227 PolarHBondContact OD1-OD1 2.94Å
212R97.1Very high95.2Very high149 Ų14967.5 Ų67.556%0.56235%0.35SS*.Hα-helixtrans-59.3-48.8176.3-74.5-170.3-60.7-94.15.9112.4G208 H209 F214 K215 E216G208-R212 WeakPolarHBondContact O-CG 3.06Å; G208-R212 PolarHBondContact O-N 3.08Å; G208-R212 VanDerWaalsContact O-N 3.09Å; H209-R212 PolarHBondContact O-N 3.11Å; R212-F214 VanDerWaalsContact C-N 3.29Å; R212-F214 PolarHBondContact O-N 3.29Å; R212-K215 PolarHBondContact O-N 3.46Å; R212-E216 WeakPolarHBondContact O-CG 3.26Å; R212-E216 PolarHBondContact O-N 3.07Å
213L96.8Very high95Very high53 Ų5365.3 Ų65.328%0.27734%0.34SS..Hα-helixtrans-60-39.8177.8-72.2178000112.3H209 N210 E216 F217 F256 K260H209-L213 WeakPolarHBondContact NE2-CD1 3.33Å; H209-L213 WeakPolarHBondContact O-CG 3.26Å; H209-L213 PolarHBondContact O-N 3.36Å; N210-L213 PolarHBondContact O-N 3.26Å; L213-E216 PolarHBondContact O-N 3.45Å; L213-F217 WeakPolarHBondContact O-CB 3.24Å; L213-F217 PolarHBondContact O-N 3.28Å; L213-F256 HydrophobicContact CB-CE2 3.98Å; L213-F256 HydrophobicContact CB-CZ 4.11Å; L213-K260 VanDerWaalsContact CD1-NZ 3.33Å
214F97.3Very high94.8Very high0 Ų071 Ų710%037%0.365CS..Hα-helixtrans-67-39.6178-175.4-109000111.7I204 N210 N211 R212 F217 L218 L228 V253 F256I204-F214 HydrophobicContact CD1-CD2 4.25Å; I204-F214 HydrophobicContact CD1-CE2 4.15Å; I204-F214 HydrophobicContact CD1-CZ 4.38Å; I204-F214 HydrophobicContact CG2-CB 3.61Å; I204-F214 HydrophobicContact CG2-CD1 3.62Å; I204-F214 HydrophobicContact CG2-CD2 4.22Å; I204-F214 HydrophobicContact CG2-CE1 4.34Å; I204-F214 HydrophobicContact CG2-CG 3.54Å; N210-F214 WeakPolarHBondContact O-CB 3.36Å; N210-F214 PolarHBondContact O-N 3.01Å; N211-F214 PolarHBondContact O-N 3.33Å; R212-F214 VanDerWaalsContact C-N 3.29Å; R212-F214 PolarHBondContact O-N 3.29Å; F214-F217 HydrophobicContact CD2-CD1 4.48Å; F214-F217 WeakPolarHBondContact O-CB 3.09Å; F214-F217 PolarHBondContact O-N 3.44Å; F214-L218 HydrophobicContact CD1-CD1 3.77Å; F214-L218 HydrophobicContact CD1-CG 4.25Å; F214-L218 HydrophobicContact CE1-CD1 3.35Å; F214-L218 HydrophobicContact CE1-CD2 4.27Å; F214-L218 HydrophobicContact CE1-CG 3.92Å; F214-L218 HydrophobicContact CE2-CD2 4.33Å; F214-L218 HydrophobicContact CE2-CG 4.39Å; F214-L218 HydrophobicContact CZ-CD1 3.88Å; F214-L218 HydrophobicContact CZ-CD2 3.9Å; F214-L218 HydrophobicContact CZ-CG 4Å; F214-L218 VanDerWaalsContact O-CG 3.29Å; F214-L218 WeakPolarHBondContact O-CG 3.44Å; F214-L218 PolarHBondContact O-N 2.97Å; F214-L228 HydrophobicContact CD1-CD1 4.42Å; F214-L228 HydrophobicContact CE1-CB 4.49Å; F214-L228 HydrophobicContact CE1-CD1 3.71Å; F214-L228 HydrophobicContact CE1-CG 3.65Å; F214-L228 HydrophobicContact CZ-CD1 3.97Å; F214-L228 HydrophobicContact CZ-CG 4.11Å; F214-V253 HydrophobicContact CE2-CG2 4.26Å; F214-V253 HydrophobicContact CZ-CG2 3.86Å; F214-F256 HydrophobicContact CB-CD2 4.28Å; F214-F256 HydrophobicContact CB-CE1 4.21Å; F214-F256 HydrophobicContact CB-CE2 3.89Å; F214-F256 HydrophobicContact CB-CZ 3.84Å; F214-F256 HydrophobicContact CD2-CB 3.83Å; F214-F256 AromaticContact CD2-CD1 3.89Å; F214-F256 HydrophobicContact CD2-CD1 3.89Å; F214-F256 AromaticContact CD2-CD2 3.74Å; F214-F256 HydrophobicContact CD2-CD2 3.74Å; F214-F256 HydrophobicContact CD2-CE1 4.36Å; F214-F256 HydrophobicContact CD2-CE2 4.22Å; F214-F256 AromaticContact CD2-CG 3.54Å; F214-F256 HydrophobicContact CD2-CG 3.54Å; F214-F256 HydrophobicContact CD2-CZ 4.5Å; F214-F256 HydrophobicContact CE2-CB 4.02Å; F214-F256 HydrophobicContact CE2-CG 4.23Å
215K97.2Very high94.7Very high84 Ų8473.8 Ų73.837%0.36538%0.376SS..Hα-helixtrans-63.2-42.9174.7-69.1-174.5173.9-167.10112.9N211 R212 F217 L218 N219 G226 D227N211-K215 VanDerWaalsContact O-CG 3.32Å; N211-K215 WeakPolarHBondContact O-CG 3.43Å; N211-K215 PolarHBondContact O-N 3.18Å; N211-K215 WeakPolarHBondContact OD1-CE 3.46Å; R212-K215 PolarHBondContact O-N 3.46Å; K215-F217 VanDerWaalsContact C-N 3.34Å; K215-L218 PolarHBondContact O-N 3.11Å; K215-N219 WeakPolarHBondContact O-CB 3.31Å; K215-N219 PolarHBondContact O-N 2.82Å; K215-G226 WeakPolarHBondContact CG-O 3.32Å; K215-D227 WeakPolarHBondContact CE-OD2 3.47Å; K215-D227 IonicContact NZ-OD2 2.8Å; K215-D227 PolarHBondContact NZ-OD2 2.67Å
216E97Very high94.7Very high108 Ų10875.7 Ų75.751%0.50540%0.399SS..Hα-helixtrans-60.9-46.6174.9-73.6166.3-171.100110.3R212 L213 L218 N219 E220R212-E216 WeakPolarHBondContact O-CG 3.26Å; R212-E216 PolarHBondContact O-N 3.07Å; L213-E216 PolarHBondContact O-N 3.45Å; E216-L218 PolarHBondContact O-N 3.32Å; E216-N219 WeakPolarHBondContact O-CB 3.39Å; E216-N219 PolarHBondContact O-N 3.46Å; E216-N219 VanDerWaalsContact O-N 3.12Å; E216-E220 WeakPolarHBondContact O-CG 3.41Å; E216-E220 PolarHBondContact O-N 3.19Å
217F96.2Very high94.8Very high44 Ų4473.5 Ų73.519%0.19338%0.381CS..Hα-helixtrans-58.3-45.2176.1-179.4-113.5000113.1L213 F214 K215 N219 E220 L221 E252 Q255 F256L213-F217 WeakPolarHBondContact O-CB 3.24Å; L213-F217 PolarHBondContact O-N 3.28Å; F214-F217 HydrophobicContact CD2-CD1 4.48Å; F214-F217 WeakPolarHBondContact O-CB 3.09Å; F214-F217 PolarHBondContact O-N 3.44Å; K215-F217 VanDerWaalsContact C-N 3.34Å; F217-N219 VanDerWaalsContact C-N 3.31Å; F217-N219 PolarHBondContact O-N 3.37Å; F217-E220 PolarHBondContact O-N 3.45Å; F217-L221 HydrophobicContact CD1-CD1 4.2Å; F217-L221 HydrophobicContact CD2-CD1 4.46Å; F217-L221 HydrophobicContact CE1-CD1 3.61Å; F217-L221 HydrophobicContact CE2-CD1 3.9Å; F217-L221 HydrophobicContact CE2-CG 4.31Å; F217-L221 HydrophobicContact CZ-CD1 3.45Å; F217-L221 VanDerWaalsContact CZ-CD1 3.45Å; F217-L221 HydrophobicContact CZ-CG 4.34Å; F217-L221 WeakPolarHBondContact O-CG 3.47Å; F217-L221 PolarHBondContact O-N 3.25Å; F217-L221 VanDerWaalsContact O-N 3.11Å; F217-E252 HydrophobicContact CD1-CB 4.44Å; F217-E252 HydrophobicContact CE1-CB 3.94Å; F217-E252 HydrophobicContact CE1-CG 4.44Å; F217-Q255 HydrophobicContact CE1-CB 4.31Å; F217-Q255 HydrophobicContact CZ-CB 3.93Å; F217-F256 HydrophobicContact CD1-CB 4.41Å; F217-F256 HydrophobicContact CD1-CD2 4.32Å; F217-F256 HydrophobicContact CE1-CB 4.39Å; F217-F256 HydrophobicContact CG-CD2 4.49Å
218L96.8Very high95Very high2 Ų267.5 Ų67.51%0.0136%0.356CS..Hα-helixtrans-62.4-37.8175.3-70.1176.6000112.5F214 K215 E216 L221 S222 S223 Y225 L249 E252F214-L218 HydrophobicContact CD1-CD1 3.77Å; F214-L218 HydrophobicContact CD1-CG 4.25Å; F214-L218 HydrophobicContact CE1-CD1 3.35Å; F214-L218 HydrophobicContact CE1-CD2 4.27Å; F214-L218 HydrophobicContact CE1-CG 3.92Å; F214-L218 HydrophobicContact CE2-CD2 4.33Å; F214-L218 HydrophobicContact CE2-CG 4.39Å; F214-L218 HydrophobicContact CZ-CD1 3.88Å; F214-L218 HydrophobicContact CZ-CD2 3.9Å; F214-L218 HydrophobicContact CZ-CG 4Å; F214-L218 VanDerWaalsContact O-CG 3.29Å; F214-L218 WeakPolarHBondContact O-CG 3.44Å; F214-L218 PolarHBondContact O-N 2.97Å; K215-L218 PolarHBondContact O-N 3.11Å; E216-L218 PolarHBondContact O-N 3.32Å; L218-L221 PolarHBondContact O-N 3.09Å; L218-S222 PolarHBondContact O-N 3.26Å; L218-S223 PolarHBondContact O-N 3.12Å; L218-Y225 WeakPolarHBondContact CD1-O 3.47Å; L218-L249 HydrophobicContact CD1-CD1 4.1Å; L218-L249 HydrophobicContact CD2-CD1 4.34Å; L218-L249 HydrophobicContact CD2-CD2 3.82Å; L218-E252 HydrophobicContact CD2-CB 3.69Å; L218-E252 HydrophobicContact CD2-CG 3.85Å
219N96.2Very high95Very high129 Ų12967.7 Ų67.769%0.6935%0.348SS*.Hα-helixtrans-67.9-40.2177.7-17668.5000111.9K215 E216 F217 L221 S222K215-N219 WeakPolarHBondContact O-CB 3.31Å; K215-N219 PolarHBondContact O-N 2.82Å; E216-N219 WeakPolarHBondContact O-CB 3.39Å; E216-N219 PolarHBondContact O-N 3.46Å; E216-N219 VanDerWaalsContact O-N 3.12Å; F217-N219 VanDerWaalsContact C-N 3.31Å; F217-N219 PolarHBondContact O-N 3.37Å; N219-L221 VanDerWaalsContact C-N 3.32Å; N219-L221 PolarHBondContact O-N 2.84Å; N219-S222 PolarHBondContact O-N 2.93Å; N219-S222 VanDerWaalsContact O-N 3.15Å
220E95.1Very high94.8Very high151 Ų15167.7 Ų67.771%0.70634%0.344SS*.Hα-helixtrans-62.1-39.7174.8-72.6175.8178.800112.2E216 F217 S222E216-E220 WeakPolarHBondContact O-CG 3.41Å; E216-E220 PolarHBondContact O-N 3.19Å; F217-E220 PolarHBondContact O-N 3.45Å; E220-S222 PolarHBondContact O-N 2.8Å
221L93.6Very high94.5Very high79 Ų7968.7 Ų68.741%0.41435%0.348SS..THydrogen-bonded Turntrans-78.1-3.4176.8-65.7-178.3000113.8F217 L218 N219 S223 E252F217-L221 HydrophobicContact CD1-CD1 4.2Å; F217-L221 HydrophobicContact CD2-CD1 4.46Å; F217-L221 HydrophobicContact CE1-CD1 3.61Å; F217-L221 HydrophobicContact CE2-CD1 3.9Å; F217-L221 HydrophobicContact CE2-CG 4.31Å; F217-L221 HydrophobicContact CZ-CD1 3.45Å; F217-L221 VanDerWaalsContact CZ-CD1 3.45Å; F217-L221 HydrophobicContact CZ-CG 4.34Å; F217-L221 WeakPolarHBondContact O-CG 3.47Å; F217-L221 PolarHBondContact O-N 3.25Å; F217-L221 VanDerWaalsContact O-N 3.11Å; L218-L221 PolarHBondContact O-N 3.09Å; N219-L221 VanDerWaalsContact C-N 3.32Å; N219-L221 PolarHBondContact O-N 2.84Å; L221-S223 PolarHBondContact O-N 3.11Å; L221-E252 HydrophobicContact CD1-CB 4.41Å; L221-E252 HydrophobicContact CD1-CG 3.57Å
222S92.9Very high93.9Very high108 Ų10869.4 Ų69.476%0.75536%0.355SS*.THydrogen-bonded Turntrans51.738.5-172.8-57.40000112.4L218 N219 E220L218-S222 PolarHBondContact O-N 3.26Å; N219-S222 PolarHBondContact O-N 2.93Å; N219-S222 VanDerWaalsContact O-N 3.15Å; E220-S222 PolarHBondContact O-N 2.8Å
223S91.8Very high92.9Very high23 Ų2370.5 Ų70.516%0.16137%0.367CS..  trans-61.1151.1-179.6-62.50000111.6L218 L221 Y225 E252L218-S223 PolarHBondContact O-N 3.12Å; L221-S223 PolarHBondContact O-N 3.11Å; S223-Y225 PolarHBondContact O-N 2.95Å; S223-Y225 VanDerWaalsContact O-N 3.12Å; S223-E252 WeakPolarHBondContact CB-OE1 3.36Å; S223-E252 PolarHBondContact OG-OE1 3.02Å
224E90.5Very high91.6Very high139 Ų13974.5 Ų74.565%0.6539%0.393SS*.SBendtrans-56.7-31.5-179.7-171-170.6153.500112.6Q248E224-Q248 PolarHBondContact OE1-NE2 3.34Å
225Y93.4Very high90.4Very high59 Ų5983.3 Ų83.323%0.23143%0.426CS..  trans-123.6140.8179.1-58.8-82.3000111.2L218 S223 Q248L218-Y225 WeakPolarHBondContact CD1-O 3.47Å; S223-Y225 PolarHBondContact O-N 2.95Å; S223-Y225 VanDerWaalsContact O-N 3.12Å; Y225-Q248 HydrophobicContact CD2-CB 4.26Å; Y225-Q248 HydrophobicContact CE2-CB 4.02Å; Y225-Q248 HydrophobicContact CE2-CG 4.21Å; Y225-Q248 VanDerWaalsContact CZ-OE1 3.26Å; Y225-Q248 PolarHBondContact OH-NE2 3.43Å; Y225-Q248 VanDerWaalsContact OH-NE2 3.16Å; Y225-Q248 PolarHBondContact OH-OE1 2.92Å
226G94.1Very high89.2Confident53 Ų5385.5 Ų85.555%0.54643%0.432SS..SBendtrans-89.65.3177.700000115.7K215K215-G226 WeakPolarHBondContact CG-O 3.32Å
227D95.2Very high88.4Confident30 Ų3084.3 Ų84.316%0.1643%0.429CS..SBendtrans-166159.6176-158.5-5.9000112.1K205 N211 K215 R245K205-D227 IonicContact NZ-OD1 2.7Å; K205-D227 PolarHBondContact NZ-OD1 3.34Å; K205-D227 IonicContact NZ-OD2 2.8Å; K205-D227 PolarHBondContact NZ-OD2 2.9Å; N211-D227 PolarHBondContact OD1-OD1 2.94Å; K215-D227 WeakPolarHBondContact CE-OD2 3.47Å; K215-D227 IonicContact NZ-OD2 2.8Å; K215-D227 PolarHBondContact NZ-OD2 2.67Å; D227-R245 WeakPolarHBondContact O-CD 3.32Å; D227-R245 PolarHBondContact O-NH1 3.26Å
228L94.8Very high88Confident5 Ų582.7 Ų82.73%0.02642%0.423CS..  trans-79.3162164.3-75165.9000111.9V201 I204 K205 F214 R245 F246 L249 V253V201-L228 HydrophobicContact CG2-CD1 4.3Å; I204-L228 HydrophobicContact CB-CD1 4.32Å; I204-L228 HydrophobicContact CD1-CD1 3.59Å; I204-L228 HydrophobicContact CG2-CD1 4.23Å; K205-L228 HydrophobicContact CD-CB 4.02Å; K205-L228 WeakPolarHBondContact CE-O 3.29Å; K205-L228 HydrophobicContact CG-CB 4.38Å; K205-L228 PolarHBondContact NZ-O 2.78Å; F214-L228 HydrophobicContact CD1-CD1 4.42Å; F214-L228 HydrophobicContact CE1-CB 4.49Å; F214-L228 HydrophobicContact CE1-CD1 3.71Å; F214-L228 HydrophobicContact CE1-CG 3.65Å; F214-L228 HydrophobicContact CZ-CD1 3.97Å; F214-L228 HydrophobicContact CZ-CG 4.11Å; L228-R245 HydrophobicContact CD2-CG 4.28Å; L228-F246 HydrophobicContact CD2-CB 4.45Å; L228-F246 HydrophobicContact CD2-CD2 4.22Å; L228-L249 HydrophobicContact CD2-CB 4.48Å; L228-L249 HydrophobicContact CD2-CD1 4.03Å; L228-L249 HydrophobicContact CG-CD1 4.31Å; L228-V253 HydrophobicContact CD1-CG2 3.96Å; L228-V253 HydrophobicContact CD2-CG2 4.07Å; L228-V253 HydrophobicContact CG-CG2 4.43Å
229V93.2Very high87.5Confident46 Ų4685.5 Ų85.528%0.27943%0.433SS..  trans-109.2128.6176.9178.90000109.9T242 R245V229-T242 WeakPolarHBondContact O-CG2 3.5Å; V229-T242 PolarHBondContact O-OG1 3.34Å; V229-T242 VanDerWaalsContact O-OG1 3.12Å; V229-R245 HydrophobicContact CG2-CB 4.32Å; V229-R245 HydrophobicContact CG2-CG 4.2Å
230Y91.7Very high87.1Confident109 Ų10981.2 Ų81.243%0.42742%0.42SS..  trans-60139.9173.4-87.1-65.1000111.4V201 K205 S206 S238 T242V201-Y230 HydrophobicContact CG1-CD1 4.09Å; K205-Y230 HydrophobicContact CB-CD1 4.34Å; K205-Y230 HydrophobicContact CB-CE1 3.57Å; K205-Y230 HydrophobicContact CB-CE2 3.87Å; K205-Y230 VanDerWaalsContact CB-OH 3.31Å; K205-Y230 WeakPolarHBondContact CB-OH 3.49Å; K205-Y230 HydrophobicContact CD-CD1 4.14Å; K205-Y230 HydrophobicContact CD-CD2 4Å; K205-Y230 HydrophobicContact CD-CE1 4.19Å; K205-Y230 HydrophobicContact CD-CE2 4.06Å; K205-Y230 HydrophobicContact CD-CG 4.05Å; K205-Y230 VanDerWaalsContact CE-CD2 3.45Å; K205-Y230 HydrophobicContact CG-CE1 4.49Å; K205-Y230 PolarHBondContact O-OH 3.35Å; S206-Y230 WeakPolarHBondContact CA-OH 3.47Å; S206-Y230 PolarHBondContact N-OH 3.09Å; Y230-S238 PolarHBondContact O-OG 3.28Å; Y230-T242 PolarHBondContact O-OG1 2.94Å
231H88Confident86.9Confident40 Ų4078 Ų7819%0.18541%0.407CS..  trans-78.4134.4167.1-172.347.7000110.2V198 S238 T242V198-H231 HydrophobicContact CG2-CB 3.82Å; H231-S238 WeakPolarHBondContact CA-OG 3.26Å; H231-T242 HydrophobicContact CB-CG2 4.3Å
232C82.4Confident86.9Confident47 Ų4774.2 Ų74.232%0.31839%0.388SS..  trans-131.4117.6171.91780000108V234 R235 S238C232-V234 PolarHBondContact O-N 3.03Å; C232-R235 HydrophobicContact CB-CB 4.2Å; C232-R235 HydrophobicContact CB-CG 4.33Å; C232-R235 PolarHBondContact O-N 3.23Å; C232-S238 PolarHBondContact N-OG 3.47Å; C232-S238 VanDerWaalsContact O-CB 3.3Å; C232-S238 WeakPolarHBondContact O-CB 3.38Å
233E75.8Confident86.9Confident171 Ų17171.2 Ų71.280%0.79936%0.363SS*.THydrogen-bonded Turntrans-63.3-30.1-176.6-63.1-169.1155.700113.1
234V70Confident87Confident137 Ų13773.9 Ų73.983%0.8338%0.379SS*.THydrogen-bonded Turntrans-78.4-28.2-176.6-172.60000111.8C232 W236C232-V234 PolarHBondContact O-N 3.03Å; V234-W236 PolarHBondContact O-N 3.26Å
235R73.1Confident87.3Confident185 Ų18570 Ų7070%0.69836%0.358SS*.SBendtrans-89.3107.8-177.8-69.9-176.1-178.1-165.30.6109.9C232 L237 S238C232-R235 HydrophobicContact CB-CB 4.2Å; C232-R235 HydrophobicContact CB-CG 4.33Å; C232-R235 PolarHBondContact O-N 3.23Å; R235-L237 PolarHBondContact O-N 3.36Å; R235-S238 WeakPolarHBondContact O-CB 3.36Å; R235-S238 PolarHBondContact O-N 3.43Å
236W71.4Confident87.5Confident130 Ų13067.5 Ų67.549%0.49235%0.348SS..THydrogen-bonded Turntrans-51.2-42.2-173.459.5-90.2000115.3I178 V234 S238I178-W236 HydrophobicContact CB-CD2 4.4Å; I178-W236 HydrophobicContact CB-CE3 4.14Å; I178-W236 HydrophobicContact CB-CZ3 4.23Å; I178-W236 HydrophobicContact CD1-CE3 4.36Å; I178-W236 HydrophobicContact CD1-CH2 3.42Å; I178-W236 VanDerWaalsContact CD1-CH2 3.42Å; I178-W236 HydrophobicContact CD1-CZ2 3.72Å; I178-W236 HydrophobicContact CD1-CZ3 3.74Å; I178-W236 HydrophobicContact CG1-CE3 4.03Å; I178-W236 HydrophobicContact CG1-CH2 3.86Å; I178-W236 HydrophobicContact CG1-CZ2 4.42Å; I178-W236 HydrophobicContact CG1-CZ3 3.6Å; I178-W236 HydrophobicContact CG2-CB 3.86Å; I178-W236 HydrophobicContact CG2-CD2 3.12Å; I178-W236 HydrophobicContact CG2-CE3 3.16Å; I178-W236 HydrophobicContact CG2-CG 3.42Å; I178-W236 VanDerWaalsContact CG2-CG 3.42Å; I178-W236 HydrophobicContact CG2-CH2 4.22Å; I178-W236 HydrophobicContact CG2-CZ2 4.22Å; I178-W236 HydrophobicContact CG2-CZ3 3.69Å; V234-W236 PolarHBondContact O-N 3.26Å; W236-S238 VanDerWaalsContact C-N 3.3Å; W236-S238 PolarHBondContact O-N 2.92Å
237L80.8Confident87.6Confident84 Ų8470.8 Ų70.844%0.4435%0.345SS..THydrogen-bonded Turntrans-74.1-16.4175.3-75.6-179.5000114.3R235 R239 G240 N241R235-L237 PolarHBondContact O-N 3.36Å; L237-R239 VanDerWaalsContact C-N 3.28Å; L237-R239 PolarHBondContact O-N 2.79Å; L237-G240 PolarHBondContact O-N 2.95Å; L237-N241 WeakPolarHBondContact O-CB 3.47Å; L237-N241 PolarHBondContact O-N 2.56Å
238S86.8Confident87.6Confident9 Ų972.1 Ų72.16%0.06335%0.35CS..Hα-helixtrans-60.9-39.6-169.31770000111.8Y230 H231 C232 R235 W236 T242Y230-S238 PolarHBondContact O-OG 3.28Å; H231-S238 WeakPolarHBondContact CA-OG 3.26Å; C232-S238 PolarHBondContact N-OG 3.47Å; C232-S238 VanDerWaalsContact O-CB 3.3Å; C232-S238 WeakPolarHBondContact O-CB 3.38Å; R235-S238 WeakPolarHBondContact O-CB 3.36Å; R235-S238 PolarHBondContact O-N 3.43Å; W236-S238 VanDerWaalsContact C-N 3.3Å; W236-S238 PolarHBondContact O-N 2.92Å; S238-T242 WeakPolarHBondContact O-CB 3.33Å; S238-T242 PolarHBondContact O-N 3.26Å; S238-T242 PolarHBondContact O-OG1 2.84Å
239R86.9Confident87.7Confident61 Ų6172 Ų7223%0.2335%0.349CS..Hα-helixtrans-59-52.9177.4-174.8172.2-66.7167.71.7111.7A185 M194 L237 T242 L243A185-R239 PolarHBondContact O-NH1 3.45Å; M194-R239 HydrophobicContact CE-CG 3.99Å; M194-R239 HydrophobicContact SD-CG 3.66Å; L237-R239 VanDerWaalsContact C-N 3.28Å; L237-R239 PolarHBondContact O-N 2.79Å; R239-T242 PolarHBondContact O-N 3.23Å; R239-L243 HydrophobicContact CG-CD1 3.92Å; R239-L243 HydrophobicContact CG-CG 4.49Å; R239-L243 WeakPolarHBondContact O-CB 3.38Å; R239-L243 VanDerWaalsContact O-CG 3.31Å; R239-L243 WeakPolarHBondContact O-CG 3.35Å; R239-L243 PolarHBondContact O-N 3.27Å
240G87.7Confident87.9Confident39 Ų3972.9 Ų72.940%0.40235%0.348SS..Hα-helixtrans-60.2-50.8179.200000111.5L237 T242 L243 T244L237-G240 PolarHBondContact O-N 2.95Å; G240-T242 PolarHBondContact O-N 3.37Å; G240-L243 PolarHBondContact O-N 3.3Å; G240-T244 WeakPolarHBondContact O-CB 3.19Å; G240-T244 PolarHBondContact O-N 2.94Å; G240-T244 PolarHBondContact O-OG1 3.42Å; G240-T244 VanDerWaalsContact O-OG1 3.08Å
241N91.3Very high88.1Confident83 Ų8371.6 Ų71.644%0.44435%0.348SS..Hα-helixtrans-60.2-42.4179.9-69.3-11.5000112.7L237 R245L237-N241 WeakPolarHBondContact O-CB 3.47Å; L237-N241 PolarHBondContact O-N 2.56Å; N241-R245 VanDerWaalsContact O-CB 3.22Å; N241-R245 WeakPolarHBondContact O-CB 3.48Å; N241-R245 PolarHBondContact O-N 2.8Å
242T93.2Very high88.5Confident1 Ų171 Ų711%0.00635%0.346CS..Hα-helixtrans-65.6-46176.4-65.80000110.9V197 V201 V229 Y230 H231 S238 R239 G240 F246V197-T242 HydrophobicContact CG1-CG2 3.82Å; V201-T242 HydrophobicContact CG2-CG2 4.28Å; V229-T242 WeakPolarHBondContact O-CG2 3.5Å; V229-T242 PolarHBondContact O-OG1 3.34Å; V229-T242 VanDerWaalsContact O-OG1 3.12Å; Y230-T242 PolarHBondContact O-OG1 2.94Å; H231-T242 HydrophobicContact CB-CG2 4.3Å; S238-T242 WeakPolarHBondContact O-CB 3.33Å; S238-T242 PolarHBondContact O-N 3.26Å; S238-T242 PolarHBondContact O-OG1 2.84Å; R239-T242 PolarHBondContact O-N 3.23Å; G240-T242 PolarHBondContact O-N 3.37Å; T242-F246 WeakPolarHBondContact O-CB 3.2Å; T242-F246 PolarHBondContact O-N 2.9Å
243L93.1Very high89.2Confident44 Ų4468.8 Ų68.823%0.2333%0.331CS..Hα-helixtrans-64-46.6178.9-74.1173.8000112.2V193 M194 V197 R239 G240 F246 Y247V193-L243 HydrophobicContact CG1-CD2 3.93Å; M194-L243 HydrophobicContact SD-CD1 3.92Å; M194-L243 HydrophobicContact SD-CD2 3.84Å; M194-L243 HydrophobicContact SD-CG 3.93Å; V197-L243 HydrophobicContact CB-CD2 4.47Å; V197-L243 HydrophobicContact CG1-CD2 4.36Å; V197-L243 HydrophobicContact CG2-CD2 3.93Å; R239-L243 HydrophobicContact CG-CD1 3.92Å; R239-L243 HydrophobicContact CG-CG 4.49Å; R239-L243 WeakPolarHBondContact O-CB 3.38Å; R239-L243 VanDerWaalsContact O-CG 3.31Å; R239-L243 WeakPolarHBondContact O-CG 3.35Å; R239-L243 PolarHBondContact O-N 3.27Å; G240-L243 PolarHBondContact O-N 3.3Å; L243-F246 PolarHBondContact O-N 3.42Å; L243-Y247 VanDerWaalsContact O-CB 3.24Å; L243-Y247 WeakPolarHBondContact O-CB 3.27Å; L243-Y247 PolarHBondContact O-N 2.91Å
244T94.6Very high90.2Very high80 Ų8063.1 Ų63.149%0.49130%0.303SS..Hα-helixtrans-59.5-50177-61.10000110.9G240 F246 Y247 Q248G240-T244 WeakPolarHBondContact O-CB 3.19Å; G240-T244 PolarHBondContact O-N 2.94Å; G240-T244 PolarHBondContact O-OG1 3.42Å; G240-T244 VanDerWaalsContact O-OG1 3.08Å; T244-F246 PolarHBondContact O-N 3.43Å; T244-Y247 PolarHBondContact O-N 3.47Å; T244-Q248 WeakPolarHBondContact O-CG 3.23Å; T244-Q248 PolarHBondContact O-N 3.09Å; T244-Q248 PolarHBondContact O-OE1 2.94Å
245R96.1Very high91.4Very high57 Ų5761.1 Ų61.122%0.21529%0.285CS..Hα-helixtrans-61.3-45.3178.3-17961.158.478.93.4112D227 L228 V229 N241 Y247 Q248 L249D227-R245 WeakPolarHBondContact O-CD 3.32Å; D227-R245 PolarHBondContact O-NH1 3.26Å; L228-R245 HydrophobicContact CD2-CG 4.28Å; V229-R245 HydrophobicContact CG2-CB 4.32Å; V229-R245 HydrophobicContact CG2-CG 4.2Å; N241-R245 VanDerWaalsContact O-CB 3.22Å; N241-R245 WeakPolarHBondContact O-CB 3.48Å; N241-R245 PolarHBondContact O-N 2.8Å; R245-Y247 VanDerWaalsContact C-N 3.34Å; R245-Q248 PolarHBondContact O-N 3.49Å; R245-L249 HydrophobicContact CG-CD1 4.16Å; R245-L249 WeakPolarHBondContact O-CB 3.33Å; R245-L249 WeakPolarHBondContact O-CG 3.26Å; R245-L249 PolarHBondContact O-N 2.81Å
246F96.7Very high92.6Very high6 Ų653 Ų533%0.02625%0.254CS..Hα-helixtrans-63.5-42.6179.6-176.8-86.7000111.3V197 C200 V201 L228 T242 L243 T244 L249 R250 V253 L267 W272V197-F246 HydrophobicContact CB-CD2 4.45Å; V197-F246 HydrophobicContact CB-CG 4.43Å; V197-F246 HydrophobicContact CG1-CB 4Å; V197-F246 HydrophobicContact CG1-CD1 4.26Å; V197-F246 HydrophobicContact CG1-CD2 3.79Å; V197-F246 HydrophobicContact CG1-CE2 4.3Å; V197-F246 HydrophobicContact CG1-CG 3.75Å; V197-F246 HydrophobicContact CG2-CD1 3.71Å; V197-F246 HydrophobicContact CG2-CD2 4.47Å; V197-F246 HydrophobicContact CG2-CE1 3.73Å; V197-F246 HydrophobicContact CG2-CE2 4.48Å; V197-F246 HydrophobicContact CG2-CG 4.08Å; V197-F246 HydrophobicContact CG2-CZ 4.14Å; C200-F246 HydrophobicContact CB-CE2 3.6Å; C200-F246 HydrophobicContact CB-CZ 4.14Å; V201-F246 HydrophobicContact CG2-CD2 4.15Å; L228-F246 HydrophobicContact CD2-CB 4.45Å; L228-F246 HydrophobicContact CD2-CD2 4.22Å; T242-F246 WeakPolarHBondContact O-CB 3.2Å; T242-F246 PolarHBondContact O-N 2.9Å; L243-F246 PolarHBondContact O-N 3.42Å; T244-F246 PolarHBondContact O-N 3.43Å; F246-L249 CarbonylContact O-C 3.51Å; F246-L249 PolarHBondContact O-N 3.08Å; F246-R250 WeakPolarHBondContact O-CA 3.12Å; F246-R250 PolarHBondContact O-N 2.77Å; F246-V253 HydrophobicContact CD2-CG2 4.44Å; F246-V253 HydrophobicContact CE2-CB 4.44Å; F246-V253 HydrophobicContact CE2-CG1 3.71Å; F246-V253 HydrophobicContact CE2-CG2 4.33Å; F246-V253 HydrophobicContact CZ-CG1 4Å; F246-L267 HydrophobicContact CE1-CD2 3.73Å; F246-L267 HydrophobicContact CZ-CD1 4.38Å; F246-L267 HydrophobicContact CZ-CD2 4Å; F246-W272 HydrophobicContact CE1-CH2 4.33Å
247Y95.9Very high93.8Very high122 Ų12247 Ų4748%0.47823%0.232SC..Hα-helixtrans-64.2-42.2177.9-177.2-95.1000112.1L243 T244 R245 L249 R250L243-Y247 VanDerWaalsContact O-CB 3.24Å; L243-Y247 WeakPolarHBondContact O-CB 3.27Å; L243-Y247 PolarHBondContact O-N 2.91Å; T244-Y247 PolarHBondContact O-N 3.47Å; R245-Y247 VanDerWaalsContact C-N 3.34Å; Y247-L249 VanDerWaalsContact C-N 3.29Å; Y247-L249 PolarHBondContact O-N 3.32Å; Y247-R250 WeakPolarHBondContact O-CB 3.28Å; Y247-R250 VanDerWaalsContact O-CD 3.32Å; Y247-R250 WeakPolarHBondContact O-CD 3.33Å; Y247-R250 VanDerWaalsContact O-CG 3.23Å; Y247-R250 WeakPolarHBondContact O-CG 3.29Å; Y247-R250 PolarHBondContact O-N 3.05Å; Y247-R250 PolarHBondContact O-NH1 3.19Å
248Q96.5Very high94.5Very high59 Ų5947.5 Ų47.528%0.27623%0.232SC..Hα-helixtrans-64.6-33.7176.2-73.2169.2-48.400112.3E224 Y225 T244 R245E224-Q248 PolarHBondContact OE1-NE2 3.34Å; Y225-Q248 HydrophobicContact CD2-CB 4.26Å; Y225-Q248 HydrophobicContact CE2-CB 4.02Å; Y225-Q248 HydrophobicContact CE2-CG 4.21Å; Y225-Q248 VanDerWaalsContact CZ-OE1 3.26Å; Y225-Q248 PolarHBondContact OH-NE2 3.43Å; Y225-Q248 VanDerWaalsContact OH-NE2 3.16Å; Y225-Q248 PolarHBondContact OH-OE1 2.92Å; T244-Q248 WeakPolarHBondContact O-CG 3.23Å; T244-Q248 PolarHBondContact O-N 3.09Å; T244-Q248 PolarHBondContact O-OE1 2.94Å; R245-Q248 PolarHBondContact O-N 3.49Å
249L97Very high94.9Very high1 Ų151 Ų511%0.00526%0.262CS..THydrogen-bonded Turntrans-98.815.3179-63.1-179.1000113.9L218 L228 R245 F246 Y247 D251 E252 V253L218-L249 HydrophobicContact CD1-CD1 4.1Å; L218-L249 HydrophobicContact CD2-CD1 4.34Å; L218-L249 HydrophobicContact CD2-CD2 3.82Å; L228-L249 HydrophobicContact CD2-CB 4.48Å; L228-L249 HydrophobicContact CD2-CD1 4.03Å; L228-L249 HydrophobicContact CG-CD1 4.31Å; R245-L249 HydrophobicContact CG-CD1 4.16Å; R245-L249 WeakPolarHBondContact O-CB 3.33Å; R245-L249 WeakPolarHBondContact O-CG 3.26Å; R245-L249 PolarHBondContact O-N 2.81Å; F246-L249 CarbonylContact O-C 3.51Å; F246-L249 PolarHBondContact O-N 3.08Å; Y247-L249 VanDerWaalsContact C-N 3.29Å; Y247-L249 PolarHBondContact O-N 3.32Å; L249-D251 VanDerWaalsContact C-N 3.25Å; L249-D251 PolarHBondContact O-N 3.29Å; L249-E252 VanDerWaalsContact CA-OE2 3.26Å; L249-E252 WeakPolarHBondContact CA-OE2 3.39Å; L249-E252 PolarHBondContact O-N 3.34Å; L249-V253 HydrophobicContact CB-CG2 4.31Å; L249-V253 WeakPolarHBondContact O-CB 3.26Å; L249-V253 VanDerWaalsContact O-CG2 3.26Å; L249-V253 WeakPolarHBondContact O-CG2 3.42Å; L249-V253 PolarHBondContact O-N 3.42Å
250R96.3Very high95.2Very high66 Ų6651.2 Ų51.225%0.24927%0.265CS..Hα-helixtrans-61.3-34.6-16867.6-171.6177.4-78.4-12.4112.9F246 Y247 K254 L267F246-R250 WeakPolarHBondContact O-CA 3.12Å; F246-R250 PolarHBondContact O-N 2.77Å; Y247-R250 WeakPolarHBondContact O-CB 3.28Å; Y247-R250 VanDerWaalsContact O-CD 3.32Å; Y247-R250 WeakPolarHBondContact O-CD 3.33Å; Y247-R250 VanDerWaalsContact O-CG 3.23Å; Y247-R250 WeakPolarHBondContact O-CG 3.29Å; Y247-R250 PolarHBondContact O-N 3.05Å; Y247-R250 PolarHBondContact O-NH1 3.19Å; R250-K254 VanDerWaalsContact O-CB 3.29Å; R250-K254 WeakPolarHBondContact O-CB 3.34Å; R250-K254 PolarHBondContact O-N 2.85Å; R250-L267 HydrophobicContact CB-CD2 4.29Å
251D95.7Very high95.5Very high81 Ų8154.5 Ų54.543%0.43328%0.281SS..Hα-helixtrans-75.5-38.4-177.5-66.3-43.5000110.7L249 K254 Q255L249-D251 VanDerWaalsContact C-N 3.25Å; L249-D251 PolarHBondContact O-N 3.29Å; D251-K254 PolarHBondContact O-N 3.49Å; D251-Q255 WeakPolarHBondContact O-CG 3.38Å; D251-Q255 PolarHBondContact O-N 3.27Å; D251-Q255 VanDerWaalsContact O-N 3.09Å; D251-Q255 PolarHBondContact O-NE2 3.4Å
252E96.4Very high95.6Very high29 Ų2955.8 Ų55.814%0.13628%0.283CS..Hα-helixtrans-69.9-42173.8-60.495.2145.900111.5F217 L218 L221 S223 L249 K254 Q255 F256F217-E252 HydrophobicContact CD1-CB 4.44Å; F217-E252 HydrophobicContact CE1-CB 3.94Å; F217-E252 HydrophobicContact CE1-CG 4.44Å; L218-E252 HydrophobicContact CD2-CB 3.69Å; L218-E252 HydrophobicContact CD2-CG 3.85Å; L221-E252 HydrophobicContact CD1-CB 4.41Å; L221-E252 HydrophobicContact CD1-CG 3.57Å; S223-E252 WeakPolarHBondContact CB-OE1 3.36Å; S223-E252 PolarHBondContact OG-OE1 3.02Å; L249-E252 VanDerWaalsContact CA-OE2 3.26Å; L249-E252 WeakPolarHBondContact CA-OE2 3.39Å; L249-E252 PolarHBondContact O-N 3.34Å; E252-K254 VanDerWaalsContact C-N 3.32Å; E252-K254 PolarHBondContact O-N 3.03Å; E252-Q255 PolarHBondContact O-N 3.41Å; E252-F256 VanDerWaalsContact O-CB 3.28Å; E252-F256 WeakPolarHBondContact O-CB 3.37Å; E252-F256 PolarHBondContact O-N 3.15Å
253V97.2Very high95.7Very high0 Ų060.2 Ų60.20%031%0.311CS..Hα-helixtrans-59.8-45.4174170.50000110.2C200 I204 F214 L228 F246 L249 F256 M257 L267C200-V253 HydrophobicContact CB-CG1 4.2Å; I204-V253 HydrophobicContact CD1-CG1 4.21Å; I204-V253 HydrophobicContact CD1-CG2 4.31Å; F214-V253 HydrophobicContact CE2-CG2 4.26Å; F214-V253 HydrophobicContact CZ-CG2 3.86Å; L228-V253 HydrophobicContact CD1-CG2 3.96Å; L228-V253 HydrophobicContact CD2-CG2 4.07Å; L228-V253 HydrophobicContact CG-CG2 4.43Å; F246-V253 HydrophobicContact CD2-CG2 4.44Å; F246-V253 HydrophobicContact CE2-CB 4.44Å; F246-V253 HydrophobicContact CE2-CG1 3.71Å; F246-V253 HydrophobicContact CE2-CG2 4.33Å; F246-V253 HydrophobicContact CZ-CG1 4Å; L249-V253 HydrophobicContact CB-CG2 4.31Å; L249-V253 WeakPolarHBondContact O-CB 3.26Å; L249-V253 VanDerWaalsContact O-CG2 3.26Å; L249-V253 WeakPolarHBondContact O-CG2 3.42Å; L249-V253 PolarHBondContact O-N 3.42Å; V253-F256 PolarHBondContact O-N 3.38Å; V253-M257 HydrophobicContact CG1-CG 4.07Å; V253-M257 VanDerWaalsContact O-CB 3.26Å; V253-M257 WeakPolarHBondContact O-CB 3.13Å; V253-M257 WeakPolarHBondContact O-CG 3.2Å; V253-M257 PolarHBondContact O-N 3Å; V253-L267 HydrophobicContact CG1-CD1 3.99Å
254K97.3Very high95.9Very high52 Ų5258.8 Ų58.823%0.22631%0.305CS..Hα-helixtrans-57.2-54.5177.8-178.4-178.7179.2174.30111.5R250 D251 E252 F256 M257 E258 L267 S268R250-K254 VanDerWaalsContact O-CB 3.29Å; R250-K254 WeakPolarHBondContact O-CB 3.34Å; R250-K254 PolarHBondContact O-N 2.85Å; D251-K254 PolarHBondContact O-N 3.49Å; E252-K254 VanDerWaalsContact C-N 3.32Å; E252-K254 PolarHBondContact O-N 3.03Å; K254-F256 VanDerWaalsContact C-N 3.34Å; K254-F256 PolarHBondContact O-N 3.41Å; K254-M257 PolarHBondContact O-N 3.36Å; K254-E258 VanDerWaalsContact CE-OE1 3.22Å; K254-E258 WeakPolarHBondContact CE-OE1 3.43Å; K254-E258 WeakPolarHBondContact O-CG 3.46Å; K254-E258 PolarHBondContact O-N 3.06Å; K254-L267 HydrophobicContact CB-CB 4.16Å; K254-L267 HydrophobicContact CB-CD1 3.79Å; K254-L267 HydrophobicContact CD-CB 4.19Å; K254-L267 HydrophobicContact CG-CB 4.18Å; K254-L267 HydrophobicContact CG-CD1 4.46Å; K254-S268 VanDerWaalsContact CE-OG 3.27Å; K254-S268 WeakPolarHBondContact CE-OG 3.25Å; K254-S268 PolarHBondContact NZ-OG 3.18Å
255Q96.3Very high95.9Very high94 Ų9465.3 Ų65.344%0.43932%0.32SS..Hα-helixtrans-59.3-44.4-179.8-73.417574.400112F217 D251 E252 M257 E258 A259F217-Q255 HydrophobicContact CE1-CB 4.31Å; F217-Q255 HydrophobicContact CZ-CB 3.93Å; D251-Q255 WeakPolarHBondContact O-CG 3.38Å; D251-Q255 PolarHBondContact O-N 3.27Å; D251-Q255 VanDerWaalsContact O-N 3.09Å; D251-Q255 PolarHBondContact O-NE2 3.4Å; E252-Q255 PolarHBondContact O-N 3.41Å; Q255-M257 PolarHBondContact O-N 3.22Å; Q255-E258 PolarHBondContact O-N 3.3Å; Q255-A259 WeakPolarHBondContact O-CB 3.47Å; Q255-A259 PolarHBondContact O-N 3.32Å
256F96.5Very high95.9Very high14 Ų1465.9 Ų65.96%0.06133%0.325CS..Hα-helixtrans-65.3-41.3179.5-171.6-93.8000112.2I204 N210 L213 F214 F217 E252 V253 K254 A259 K260I204-F256 HydrophobicContact CD1-CD1 4.2Å; I204-F256 HydrophobicContact CG1-CD1 3.88Å; I204-F256 HydrophobicContact CG1-CE1 3.97Å; N210-F256 WeakPolarHBondContact O-CZ 3.46Å; L213-F256 HydrophobicContact CB-CE2 3.98Å; L213-F256 HydrophobicContact CB-CZ 4.11Å; F214-F256 HydrophobicContact CB-CD2 4.28Å; F214-F256 HydrophobicContact CB-CE1 4.21Å; F214-F256 HydrophobicContact CB-CE2 3.89Å; F214-F256 HydrophobicContact CB-CZ 3.84Å; F214-F256 HydrophobicContact CD2-CB 3.83Å; F214-F256 AromaticContact CD2-CD1 3.89Å; F214-F256 HydrophobicContact CD2-CD1 3.89Å; F214-F256 AromaticContact CD2-CD2 3.74Å; F214-F256 HydrophobicContact CD2-CD2 3.74Å; F214-F256 HydrophobicContact CD2-CE1 4.36Å; F214-F256 HydrophobicContact CD2-CE2 4.22Å; F214-F256 AromaticContact CD2-CG 3.54Å; F214-F256 HydrophobicContact CD2-CG 3.54Å; F214-F256 HydrophobicContact CD2-CZ 4.5Å; F214-F256 HydrophobicContact CE2-CB 4.02Å; F214-F256 HydrophobicContact CE2-CG 4.23Å; F217-F256 HydrophobicContact CD1-CB 4.41Å; F217-F256 HydrophobicContact CD1-CD2 4.32Å; F217-F256 HydrophobicContact CE1-CB 4.39Å; F217-F256 HydrophobicContact CG-CD2 4.49Å; E252-F256 VanDerWaalsContact O-CB 3.28Å; E252-F256 WeakPolarHBondContact O-CB 3.37Å; E252-F256 PolarHBondContact O-N 3.15Å; V253-F256 PolarHBondContact O-N 3.38Å; K254-F256 VanDerWaalsContact C-N 3.34Å; K254-F256 PolarHBondContact O-N 3.41Å; F256-A259 PolarHBondContact O-N 2.97Å; F256-K260 HydrophobicContact CD1-CG 4.17Å; F256-K260 HydrophobicContact CE1-CG 3.88Å; F256-K260 HydrophobicContact CZ-CG 4.37Å; F256-K260 WeakPolarHBondContact O-CG 3.38Å; F256-K260 PolarHBondContact O-N 2.95Å
257M97Very high95.9Very high6 Ų666 Ų663%0.0333%0.326CS..Hα-helixtrans-67.4-37.7178.4-71.7-66.4-72.200111.9C203 I204 V253 K254 Q255 K260 S261 K262 V264C203-M257 HydrophobicContact CB-CE 4.1Å; C203-M257 HydrophobicContact CB-SD 4.16Å; I204-M257 HydrophobicContact CD1-CG 4.5Å; I204-M257 HydrophobicContact CD1-SD 4.32Å; I204-M257 HydrophobicContact CG1-SD 4.13Å; V253-M257 HydrophobicContact CG1-CG 4.07Å; V253-M257 VanDerWaalsContact O-CB 3.26Å; V253-M257 WeakPolarHBondContact O-CB 3.13Å; V253-M257 WeakPolarHBondContact O-CG 3.2Å; V253-M257 PolarHBondContact O-N 3Å; K254-M257 PolarHBondContact O-N 3.36Å; Q255-M257 PolarHBondContact O-N 3.22Å; M257-K260 CarbonylContact O-C 3.37Å; M257-K260 PolarHBondContact O-N 2.96Å; M257-S261 PolarHBondContact O-N 2.96Å; M257-K262 WeakPolarHBondContact CB-O 3.22Å; M257-K262 HydrophobicContact CE-CB 3.94Å; M257-K262 HydrophobicContact CE-CD 4.5Å; M257-K262 CarbonylContact O-C 3.57Å; M257-K262 WeakPolarHBondContact O-CA 3.39Å; M257-K262 PolarHBondContact O-N 3.24Å; M257-V264 HydrophobicContact CB-CG2 3.96Å; M257-V264 HydrophobicContact CE-CG2 3.85Å; M257-V264 HydrophobicContact CG-CG2 4.08Å
258E96.3Very high95.8Very high93 Ų9363.5 Ų63.544%0.43533%0.327SS..Hα-helixtrans-62.4-45171.1-73.7172.5-177.100111.8K254 Q255 K260 S261 P263K254-E258 VanDerWaalsContact CE-OE1 3.22Å; K254-E258 WeakPolarHBondContact CE-OE1 3.43Å; K254-E258 WeakPolarHBondContact O-CG 3.46Å; K254-E258 PolarHBondContact O-N 3.06Å; Q255-E258 PolarHBondContact O-N 3.3Å; E258-K260 PolarHBondContact O-N 3.4Å; E258-S261 WeakPolarHBondContact O-CA 3.42Å; E258-S261 PolarHBondContact O-N 3.44Å; E258-P263 HydrophobicContact CG-CB 4.28Å
259A94.3Very high95.7Very high83 Ų8364.4 Ų64.469%0.68633%0.333SS*.Hα-helixtrans-62.4-25.6175.100000113Q255 F256 S261Q255-A259 WeakPolarHBondContact O-CB 3.47Å; Q255-A259 PolarHBondContact O-N 3.32Å; F256-A259 PolarHBondContact O-N 2.97Å; A259-S261 VanDerWaalsContact C-N 3.28Å
260K92.8Very high95.6Very high66 Ų6673.4 Ų73.429%0.28737%0.373SS..THydrogen-bonded Turntrans-88.111.4172-65.6-63.7-179.6-176.60113.7L213 F256 M257 E258 K262L213-K260 VanDerWaalsContact CD1-NZ 3.33Å; F256-K260 HydrophobicContact CD1-CG 4.17Å; F256-K260 HydrophobicContact CE1-CG 3.88Å; F256-K260 HydrophobicContact CZ-CG 4.37Å; F256-K260 WeakPolarHBondContact O-CG 3.38Å; F256-K260 PolarHBondContact O-N 2.95Å; M257-K260 CarbonylContact O-C 3.37Å; M257-K260 PolarHBondContact O-N 2.96Å; E258-K260 PolarHBondContact O-N 3.4Å; K260-K262 PolarHBondContact O-N 2.87Å
261S94.3Very high95.4Very high107 Ų10779.6 Ų79.675%0.74840%0.401SS*.THydrogen-bonded Turntrans5632.4-177.7-48.30000113.3M257 E258 A259 P263M257-S261 PolarHBondContact O-N 2.96Å; E258-S261 WeakPolarHBondContact O-CA 3.42Å; E258-S261 PolarHBondContact O-N 3.44Å; A259-S261 VanDerWaalsContact C-N 3.28Å; S261-P263 VanDerWaalsContact C-CD 3.47Å
262K95Very high95.3Very high111 Ų11178.2 Ų78.248%0.48339%0.39SS..  trans-127.363.1177.6-70.1-176.5174.1-166.20110.4C203 M257 K260 V264C203-K262 VanDerWaalsContact SG-CD 3.52Å; C203-K262 PolarHBondContact SG-NZ 3.36Å; C203-K262 VanDerWaalsContact SG-NZ 3.36Å; M257-K262 WeakPolarHBondContact CB-O 3.22Å; M257-K262 HydrophobicContact CE-CB 3.94Å; M257-K262 HydrophobicContact CE-CD 4.5Å; M257-K262 CarbonylContact O-C 3.57Å; M257-K262 WeakPolarHBondContact O-CA 3.39Å; M257-K262 PolarHBondContact O-N 3.24Å; K260-K262 PolarHBondContact O-N 2.87Å; K262-V264 PolarHBondContact O-N 2.88Å
263P94.4Very high95Very high93 Ų9380.9 Ų80.960%0.60441%0.405SS*.  trans-59.6137.3-177.826.9-35.3000111.3E258 S261E258-P263 HydrophobicContact CG-CB 4.28Å; S261-P263 VanDerWaalsContact C-CD 3.47Å
264V96.5Very high94.9Very high15 Ų1584.9 Ų84.99%0.09143%0.425CS..  trans-107.1106.4-179.4-173.40000107.7V196 C200 M257 K262 E266 L267V196-V264 HydrophobicContact CG1-CG1 3.58Å; C200-V264 VanDerWaalsContact SG-CG2 3.52Å; M257-V264 HydrophobicContact CB-CG2 3.96Å; M257-V264 HydrophobicContact CE-CG2 3.85Å; M257-V264 HydrophobicContact CG-CG2 4.08Å; K262-V264 PolarHBondContact O-N 2.88Å; V264-E266 VanDerWaalsContact C-N 3.28Å; V264-E266 HydrophobicContact CG1-CB 4.48Å; V264-E266 PolarHBondContact O-N 3.36Å; V264-L267 HydrophobicContact CB-CD1 3.92Å; V264-L267 HydrophobicContact CB-CG 4.08Å; V264-L267 HydrophobicContact CG1-CD1 4.13Å; V264-L267 HydrophobicContact CG1-CG 3.91Å; V264-L267 HydrophobicContact CG2-CD1 4.39Å; V264-L267 PolarHBondContact O-N 3.23Å
265R95.2Very high94.8Very high216 Ų21686.6 Ų86.682%0.81544%0.435SS*.G310 helixtrans-64.7-36.4-169.9-66.6-179.1179.7-178.9-0.3111.9L267 S268R265-L267 PolarHBondContact O-N 3.23Å; R265-S268 WeakPolarHBondContact O-CB 3.27Å; R265-S268 PolarHBondContact O-N 2.87Å
266E96Very high94.7Very high69 Ų6986.2 Ų86.232%0.32244%0.435SS..G310 helixtrans-61-31.9-178.1-63.987.4167.800112.3V196 V264 S268 D269 W272V196-E266 HydrophobicContact CG1-CB 4.09Å; V196-E266 HydrophobicContact CG1-CG 4.27Å; V196-E266 HydrophobicContact CG2-CG 3.9Å; V264-E266 VanDerWaalsContact C-N 3.28Å; V264-E266 HydrophobicContact CG1-CB 4.48Å; V264-E266 PolarHBondContact O-N 3.36Å; E266-S268 PolarHBondContact O-N 3.06Å; E266-S268 VanDerWaalsContact O-N 3.12Å; E266-D269 PolarHBondContact O-N 3.06Å; E266-W272 HydrophobicContact CB-CD2 3.72Å; E266-W272 HydrophobicContact CB-CE3 4.1Å; E266-W272 HydrophobicContact CB-CG 3.98Å; E266-W272 HydrophobicContact CB-CZ2 4.24Å; E266-W272 HydrophobicContact CG-CD2 4.45Å; E266-W272 HydrophobicContact CG-CG 4.38Å
267L96Very high94.6Very high8 Ų890.5 Ų90.54%0.04246%0.457CS..G310 helixtrans-71.1-2.8175.2-63.7-179.7000113.7F246 R250 V253 K254 V264 R265 W272 L273F246-L267 HydrophobicContact CE1-CD2 3.73Å; F246-L267 HydrophobicContact CZ-CD1 4.38Å; F246-L267 HydrophobicContact CZ-CD2 4Å; R250-L267 HydrophobicContact CB-CD2 4.29Å; V253-L267 HydrophobicContact CG1-CD1 3.99Å; K254-L267 HydrophobicContact CB-CB 4.16Å; K254-L267 HydrophobicContact CB-CD1 3.79Å; K254-L267 HydrophobicContact CD-CB 4.19Å; K254-L267 HydrophobicContact CG-CB 4.18Å; K254-L267 HydrophobicContact CG-CD1 4.46Å; V264-L267 HydrophobicContact CB-CD1 3.92Å; V264-L267 HydrophobicContact CB-CG 4.08Å; V264-L267 HydrophobicContact CG1-CD1 4.13Å; V264-L267 HydrophobicContact CG1-CG 3.91Å; V264-L267 HydrophobicContact CG2-CD1 4.39Å; V264-L267 PolarHBondContact O-N 3.23Å; R265-L267 PolarHBondContact O-N 3.23Å; L267-W272 HydrophobicContact CD2-CZ3 4.09Å; L267-L273 HydrophobicContact CD2-CD2 4.49Å
268S94.8Very high94.4Very high71 Ų7195.8 Ų95.850%0.49748%0.484SS..G310 helixtrans-109.6-5.6171.3-55.10000112.9K254 R265 E266K254-S268 VanDerWaalsContact CE-OG 3.27Å; K254-S268 WeakPolarHBondContact CE-OG 3.25Å; K254-S268 PolarHBondContact NZ-OG 3.18Å; R265-S268 WeakPolarHBondContact O-CB 3.27Å; R265-S268 PolarHBondContact O-N 2.87Å; E266-S268 PolarHBondContact O-N 3.06Å; E266-S268 VanDerWaalsContact O-N 3.12Å
269D95.4Very high94.3Very high77 Ų7795.9 Ų95.941%0.41249%0.487SS..  trans-93.9108.7-179-175.7-3.8000110.9E266 K271 W272 L273E266-D269 PolarHBondContact O-N 3.06Å; D269-K271 PolarHBondContact O-N 2.86Å; D269-K271 WeakPolarHBondContact OD1-CB 3.48Å; D269-K271 PolarHBondContact OD1-N 2.98Å; D269-W272 HydrophobicContact CB-CB 3.94Å; D269-W272 PolarHBondContact O-N 3.12Å; D269-L273 PolarHBondContact O-N 3.35Å
270K93.6Very high94.3Very high191 Ų19196.9 Ų96.983%0.8347%0.473SS*.THydrogen-bonded Turntrans-62.8-17.9177.7-67.6-173.1178.8-176.90114.5
271K92.6Very high94.4Very high195 Ų19599.2 Ų99.285%0.84849%0.487SS*.THydrogen-bonded Turntrans-84.4-26.8174.6-69-176.6176.4-179.80112.1D269D269-K271 PolarHBondContact O-N 2.86Å; D269-K271 WeakPolarHBondContact OD1-CB 3.48Å; D269-K271 PolarHBondContact OD1-N 2.98Å
272W92.6Very high94.4Very high52 Ų5298.6 Ų98.620%0.19747%0.465CS..THydrogen-bonded Turntrans-80.2-39.5177.2-175.996.8000111.1V193 V196 V197 F246 E266 L267 D269V193-W272 HydrophobicContact CB-CZ2 4.2Å; V193-W272 HydrophobicContact CG1-CH2 4.24Å; V193-W272 HydrophobicContact CG1-CZ2 3.79Å; V193-W272 HydrophobicContact CG2-CZ2 4.36Å; V196-W272 HydrophobicContact CB-CZ2 4.01Å; V196-W272 HydrophobicContact CG1-CH2 4.36Å; V196-W272 HydrophobicContact CG1-CZ2 4.06Å; V196-W272 HydrophobicContact CG2-CZ2 4.46Å; V197-W272 HydrophobicContact CG2-CH2 4.16Å; F246-W272 HydrophobicContact CE1-CH2 4.33Å; E266-W272 HydrophobicContact CB-CD2 3.72Å; E266-W272 HydrophobicContact CB-CE3 4.1Å; E266-W272 HydrophobicContact CB-CG 3.98Å; E266-W272 HydrophobicContact CB-CZ2 4.24Å; E266-W272 HydrophobicContact CG-CD2 4.45Å; E266-W272 HydrophobicContact CG-CG 4.38Å; L267-W272 HydrophobicContact CD2-CZ3 4.09Å; D269-W272 HydrophobicContact CB-CB 3.94Å; D269-W272 PolarHBondContact O-N 3.12Å
273L91.3Very high94.4Very high85 Ų8597.5 Ų97.545%0.44546%0.464SS..  trans-68.40172.2-69.2175.2000112.6L267 D269L267-L273 HydrophobicContact CD2-CD2 4.49Å; D269-L273 PolarHBondContact O-N 3.35Å

Retrieved 273 of 273 residues in 80.4 ms (Link to these results)

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