A0A087YLL5_POEFO Loading...

C2 domain-containing protein 5

AlphaFold DB , UniProt , Accession A0A087YLL5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,022 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
1M55Low85.8Confident77 Ų7732.8 Ų32.838%0.37917%0.17SC..  0147.90-62.3-178.3-169.800106.8G3 D62 D133 N135M1-G3 PolarHBondContact O-N 2.96Å; M1-D62 WeakPolarHBondContact CA-OD2 3.5Å; M1-D62 WeakPolarHBondContact CB-OD2 3.44Å; M1-D62 PolarHBondContact N-OD2 3.38Å; M1-D62 PolarHBondContact O-N 2.99Å; M1-D133 HydrophobicContact CE-CB 3.92Å; M1-D133 HydrophobicContact SD-CB 3.96Å; M1-N135 HydrophobicContact CE-CB 3.23Å
2P60.2Low86.7Confident75 Ų7530.3 Ų30.349%0.48716%0.159SC..EExtended strand (participates in β ladder)trans-83.8112-17728.1-29.7000111.2V60P2-V60 CarbonylContact C-O 3.43Å; P2-V60 WeakPolarHBondContact CA-O 3.46Å
3G74.1Confident87.4Confident1 Ų134 Ų341%0.0117%0.169CC..EExtended strand (participates in β ladder)trans-71.2150.5161.500000110.2M1 V60M1-G3 PolarHBondContact O-N 2.96Å; G3-V60 PolarHBondContact N-O 3.05Å; G3-V60 PolarHBondContact O-N 2.85Å
4K86.4Confident88Confident73 Ų7341.2 Ų41.232%0.31720%0.202SC..EExtended strand (participates in β ladder)trans-106.9107.4172.4-74.5-176.9-179.9-172.90110.1E59 E129 F131K4-E59 IonicContact NZ-OE1 3.69Å; K4-E129 HydrophobicContact CB-CB 4.3Å; K4-E129 PolarHBondContact N-O 3.08Å; K4-E129 PolarHBondContact O-N 2.77Å; K4-F131 HydrophobicContact CD-CE2 4.07Å; K4-F131 HydrophobicContact CD-CZ 4.23Å; K4-F131 HydrophobicContact CG-CE2 4.12Å
5L90.8Very high88.5Confident0 Ų038.9 Ų38.90%019%0.19CC..EExtended strand (participates in β ladder)trans-91.5130.8171.3175.670.8000109.1F33 F58 L65 L70 I93 V126 V128L5-F33 HydrophobicContact CD2-CB 4.25Å; L5-F33 HydrophobicContact CD2-CD1 4Å; L5-F33 HydrophobicContact CD2-CD2 3.27Å; L5-F33 HydrophobicContact CD2-CE1 4.21Å; L5-F33 HydrophobicContact CD2-CE2 3.53Å; L5-F33 HydrophobicContact CD2-CG 3.54Å; L5-F33 HydrophobicContact CD2-CZ 4Å; L5-F58 HydrophobicContact CB-CB 4.16Å; L5-F58 HydrophobicContact CB-CD2 4.42Å; L5-F58 HydrophobicContact CD2-CD2 4.04Å; L5-F58 HydrophobicContact CG-CD2 4.1Å; L5-F58 PolarHBondContact N-O 3.25Å; L5-F58 VanDerWaalsContact N-O 3.12Å; L5-F58 PolarHBondContact O-N 3.4Å; L5-L65 HydrophobicContact CB-CD1 4.48Å; L5-L70 HydrophobicContact CD2-CD1 4.3Å; L5-I93 HydrophobicContact CD1-CD1 3.9Å; L5-I93 HydrophobicContact CD1-CG1 4.4Å; L5-I93 HydrophobicContact CD1-CG2 4.37Å; L5-V126 HydrophobicContact CD1-CG1 3.45Å; L5-V126 VanDerWaalsContact CD1-CG1 3.45Å; L5-V126 HydrophobicContact CG-CG1 4.47Å; L5-V128 HydrophobicContact CD1-CG2 3.78Å
6K93.4Very high88.8Confident37 Ų3737.7 Ų37.716%0.16119%0.187CC..EExtended strand (participates in β ladder)trans-124.9129.2177.5-56-177.9-174.1160.30109.8W55 F56 K57 V126 K127 E129K6-W55 HydrophobicContact CB-CD2 4.3Å; K6-W55 HydrophobicContact CB-CE3 3.51Å; K6-W55 HydrophobicContact CB-CZ3 3.91Å; K6-F56 CarbonylContact C-O 3.18Å; K6-F56 VanDerWaalsContact CA-O 3.23Å; K6-F56 WeakPolarHBondContact CA-O 3.27Å; K6-K57 HydrophobicContact CD-CG 4.49Å; K6-K57 HydrophobicContact CG-CG 4.21Å; K6-V126 CarbonylContact O-C 3.53Å; K6-V126 VanDerWaalsContact O-CA 3.31Å; K6-V126 WeakPolarHBondContact O-CA 3.46Å; K6-K127 PolarHBondContact N-O 3.13Å; K6-K127 PolarHBondContact O-N 3.04Å; K6-E129 WeakPolarHBondContact CE-OE2 3.43Å; K6-E129 IonicContact NZ-OE1 3.62Å; K6-E129 PolarHBondContact NZ-OE1 3.47Å; K6-E129 IonicContact NZ-OE2 2.69Å; K6-E129 PolarHBondContact NZ-OE2 2.98Å
7A96.1Very high89.1Confident0 Ų039.5 Ų39.50%020%0.2CC..EExtended strand (participates in β ladder)trans-123.7141.3176.400000110.8V31 F56 F58 L70 L125 V126A7-V31 HydrophobicContact CB-CG1 4.1Å; A7-F56 PolarHBondContact N-O 2.72Å; A7-F56 PolarHBondContact O-N 2.87Å; A7-F58 HydrophobicContact CB-CE2 4.24Å; A7-L70 HydrophobicContact CB-CD2 4.14Å; A7-L125 CarbonylContact C-O 3.57Å; A7-L125 WeakPolarHBondContact CA-O 3.37Å; A7-V126 HydrophobicContact CB-CG2 4.45Å
8K96.4Very high89.1Confident56 Ų5639.8 Ų39.824%0.24320%0.201CC..EExtended strand (participates in β ladder)trans-132.8130.8175.7171.1168.8179164.90109.7V10 S53 W55 L125K8-V10 HydrophobicContact CG-CG2 4.48Å; K8-S53 WeakPolarHBondContact CD-O 3.33Å; K8-S53 WeakPolarHBondContact CE-O 3.42Å; K8-S53 WeakPolarHBondContact CG-O 3.44Å; K8-W55 HydrophobicContact CB-CD2 4Å; K8-W55 HydrophobicContact CB-CE3 3.78Å; K8-W55 HydrophobicContact CB-CZ3 4.11Å; K8-L125 HydrophobicContact CB-CB 4.3Å; K8-L125 PolarHBondContact N-O 2.92Å; K8-L125 PolarHBondContact O-N 3.4Å
9I97.6Very high88.9Confident0 Ų039.6 Ų39.60%020%0.201CC..EExtended strand (participates in β ladder)trans-97.7116.6177.9-55-56.2000108.5V29 V31 T40 W51 N52 S53 F56 I72 I122 V124I9-V29 HydrophobicContact CD1-CG1 4.12Å; I9-V29 HydrophobicContact CG1-CG1 4.1Å; I9-V29 HydrophobicContact CG2-CB 4.31Å; I9-V29 HydrophobicContact CG2-CG1 4.4Å; I9-V29 HydrophobicContact CG2-CG2 4.05Å; I9-V31 HydrophobicContact CD1-CG2 3.78Å; I9-V31 HydrophobicContact CG1-CG2 3.71Å; I9-T40 HydrophobicContact CB-CG2 4.14Å; I9-T40 HydrophobicContact CG1-CG2 4.19Å; I9-T40 HydrophobicContact CG2-CG2 4.39Å; I9-W51 HydrophobicContact CG2-CB 4.46Å; I9-W51 HydrophobicContact CG2-CD2 4.22Å; I9-W51 HydrophobicContact CG2-CE3 3.63Å; I9-W51 HydrophobicContact CG2-CZ3 4.18Å; I9-N52 PolarHBondContact O-N 3.28Å; I9-S53 PolarHBondContact N-OG 3.11Å; I9-S53 PolarHBondContact O-N 2.85Å; I9-S53 PolarHBondContact O-OG 3.08Å; I9-F56 HydrophobicContact CG1-CE2 4.12Å; I9-I72 HydrophobicContact CD1-CD1 4.15Å; I9-I72 HydrophobicContact CD1-CG2 4.16Å; I9-I122 HydrophobicContact CD1-CD1 4.49Å; I9-I122 HydrophobicContact CG2-CD1 4.05Å; I9-I122 HydrophobicContact CG2-CG1 4.46Å; I9-V124 HydrophobicContact CD1-CG1 4.18Å; I9-V124 HydrophobicContact CD1-CG2 4.07Å
10V96.8Very high88.6Confident33 Ų3349.5 Ų49.520%0.224%0.236CC..EExtended strand (participates in β ladder)trans-91.7-61.1-173.6-178.40000110.5K8 W51 N52 N123K8-V10 HydrophobicContact CG-CG2 4.48Å; V10-W51 PolarHBondContact O-N 3.1Å; V10-W51 VanDerWaalsContact O-N 3.15Å; V10-N52 PolarHBondContact O-N 2.72Å; V10-N123 HydrophobicContact CB-CB 4.07Å; V10-N123 PolarHBondContact N-O 2.9Å
11A97.1Very high88.4Confident9 Ų952.4 Ų52.47%0.07427%0.268CS..EExtended strand (participates in β ladder)trans-160161.3-173.600000111.5P49 Q50 W108 N123A11-P49 CarbonylContact C-O 3.51Å; A11-P49 VanDerWaalsContact CA-O 3.29Å; A11-P49 WeakPolarHBondContact CA-O 3.16Å; A11-P49 WeakPolarHBondContact CB-O 3.35Å; A11-Q50 HydrophobicContact CB-CG 4.13Å; A11-W108 HydrophobicContact CB-CH2 3.98Å; A11-N123 PolarHBondContact O-N 3.25Å
12G96.6Very high89.7Confident3 Ų350.5 Ų50.53%0.03126%0.262CS..EExtended strand (participates in β ladder)trans-115.4155.916700000110.2N48 P49 W51 E121G12-N48 CarbonylContact O-C 3.58Å; G12-N48 VanDerWaalsContact O-C 3.31Å; G12-N48 WeakPolarHBondContact O-CA 3.48Å; G12-P49 PolarHBondContact N-O 3.15Å; G12-W51 VanDerWaalsContact N-CZ3 3.26Å; G12-E121 CarbonylContact C-O 3.52Å; G12-E121 WeakPolarHBondContact CA-O 3.29Å
13R96Very high91Very high78 Ų7852.4 Ų52.429%0.29427%0.268SS..EExtended strand (participates in β ladder)trans-147.4153.2173.371.7-176.8178.9-174.5-0.3112.7L15 L47 N48 W108 G120 E121R13-L15 PolarHBondContact O-N 2.7Å; R13-L47 CarbonylContact C-O 3.59Å; R13-N48 WeakPolarHBondContact CA-OD1 3.49Å; R13-N48 VanDerWaalsContact CB-OD1 3.31Å; R13-N48 WeakPolarHBondContact CB-OD1 3.07Å; R13-W108 HydrophobicContact CB-CH2 3.99Å; R13-W108 HydrophobicContact CB-CZ3 3.85Å; R13-W108 HydrophobicContact CG-CE3 3.78Å; R13-W108 HydrophobicContact CG-CH2 3.84Å; R13-W108 HydrophobicContact CG-CZ3 3.4Å; R13-G120 WeakPolarHBondContact O-CA 3.24Å; R13-E121 HydrophobicContact CG-CB 4.07Å; R13-E121 IonicContact CZ-OE2 2.61Å; R13-E121 PolarHBondContact N-O 3.45Å; R13-E121 IonicContact NE-OE2 2.91Å; R13-E121 PolarHBondContact NE-OE2 2.96Å; R13-E121 IonicContact NH2-OE2 3.48Å; R13-E121 PolarHBondContact NH2-OE2 3Å; R13-E121 PolarHBondContact O-N 2.78Å
14H95Very high91.8Very high135 Ų13555 Ų5563%0.62528%0.282SS*.SBendtrans52.736.8-179.1-49.8122.5000113L47 N48 G120H14-L47 PolarHBondContact N-O 3.16Å; H14-N48 PolarHBondContact N-OD1 2.7Å; H14-G120 WeakPolarHBondContact O-CA 3.12Å
15L95.5Very high91.9Very high6 Ų651.6 Ų51.63%0.03127%0.267CS..PPolyproline II helixtrans-64.7148.6173.5-60.3-176.7000109.8R13 A27 L47 P49 I111R13-L15 PolarHBondContact O-N 2.7Å; L15-A27 HydrophobicContact CD1-CB 3.83Å; L15-L47 PolarHBondContact N-O 2.76Å; L15-L47 WeakPolarHBondContact O-CD2 3.48Å; L15-P49 HydrophobicContact CD1-CG 3.68Å; L15-I111 HydrophobicContact CD2-CD1 3.37Å
16P94.3Very high92Very high20 Ų2052.9 Ų52.913%0.1327%0.274CS..PPolyproline II helixtrans-72.8150.6175.732.7-37.4000111.2M18 T25 I86 R119P16-M18 HydrophobicContact CG-SD 4.07Å; P16-M18 PolarHBondContact O-N 2.78Å; P16-T25 PolarHBondContact O-OG1 2.98Å; P16-I86 HydrophobicContact CG-CG2 3.67Å; P16-R119 HydrophobicContact CG-CB 4.38Å; P16-R119 VanDerWaalsContact CG-NH2 3.35Å
17V92.8Very high92.1Very high69 Ų6951.1 Ų51.142%0.41827%0.266SS..PPolyproline II helixtrans-63.2123.2168.2177.80000109.1D23 L47V17-D23 VanDerWaalsContact CG1-C 3.48Å; V17-D23 WeakPolarHBondContact CG2-O 3.47Å; V17-L47 HydrophobicContact CG2-CD1 4.16Å; V17-L47 HydrophobicContact CG2-CD2 4.29Å
18M89Confident92.1Very high45 Ų4551.7 Ų51.722%0.22227%0.268CS..  trans-110.7-37.9178.4-63.1-61.5-66.400110.7P16 R20 L24 T25 D76 D84 I86P16-M18 HydrophobicContact CG-SD 4.07Å; P16-M18 PolarHBondContact O-N 2.78Å; M18-R20 PolarHBondContact O-N 3.34Å; M18-L24 PolarHBondContact N-O 3.06Å; M18-T25 HydrophobicContact CB-CG2 4.16Å; M18-T25 HydrophobicContact CG-CG2 3.87Å; M18-D76 HydrophobicContact CB-CB 4Å; M18-D76 WeakPolarHBondContact CB-OD2 3.46Å; M18-D76 HydrophobicContact CG-CB 4.07Å; M18-D84 HydrophobicContact CE-CB 3.67Å; M18-I86 HydrophobicContact CE-CG1 4.45Å; M18-I86 HydrophobicContact CG-CD1 4.13Å; M18-I86 HydrophobicContact CG-CG1 4.07Å; M18-I86 HydrophobicContact SD-CG1 4.24Å
19D86.7Confident92.2Very high36 Ų3649 Ų4919%0.19326%0.257CS..BIsolated β-bridgetrans-87.6107.7174.6-80.1-38.9000112.4A21 S22 D23 L24D19-A21 PolarHBondContact O-N 3.48Å; D19-S22 WeakPolarHBondContact CB-OG 3.31Å; D19-S22 PolarHBondContact O-N 2.72Å; D19-S22 PolarHBondContact OD2-OG 3.2Å; D19-D23 WeakPolarHBondContact O-CA 3.4Å; D19-D23 PolarHBondContact O-N 3.24Å; D19-L24 WeakPolarHBondContact CB-O 3.23Å; D19-L24 PolarHBondContact N-O 3.34Å
20R83.3Confident92.1Very high237 Ų23751 Ų5189%0.89427%0.266SS*.THydrogen-bonded Turntrans-64-22.1176-66.9-175.3-179167.21.6114.4M18M18-R20 PolarHBondContact O-N 3.34Å
21A82.9Confident92.2Very high110 Ų11049.4 Ų49.491%0.90926%0.256SS*.THydrogen-bonded Turntrans-85.1-30.6-178.300000112.5D19D19-A21 PolarHBondContact O-N 3.48Å
22S82.4Confident92.1Very high38 Ų3851.2 Ų51.227%0.26626%0.263SS..THydrogen-bonded Turntrans-103.2-11.2-177.673.50000113D19 L24D19-S22 WeakPolarHBondContact CB-OG 3.31Å; D19-S22 PolarHBondContact O-N 2.72Å; D19-S22 PolarHBondContact OD2-OG 3.2Å; S22-L24 WeakPolarHBondContact O-CG 3.37Å; S22-L24 PolarHBondContact O-N 2.87Å; S22-L24 PolarHBondContact OG-N 3.37Å
23D86.9Confident91.9Very high115 Ų11551.1 Ų51.162%0.61526%0.261SS*.THydrogen-bonded Turntrans52.924.9-168-71.2-35.3000113.1V17 D19V17-D23 VanDerWaalsContact CG1-C 3.48Å; V17-D23 WeakPolarHBondContact CG2-O 3.47Å; D19-D23 WeakPolarHBondContact O-CA 3.4Å; D19-D23 PolarHBondContact O-N 3.24Å
24L90.8Very high91.5Very high56 Ų5647.7 Ų47.729%0.29325%0.25SS..BIsolated β-bridgetrans-134.6-164.3-174.8-65167.3000110.5M18 D19 S22 K45 L47M18-L24 PolarHBondContact N-O 3.06Å; D19-L24 WeakPolarHBondContact CB-O 3.23Å; D19-L24 PolarHBondContact N-O 3.34Å; S22-L24 WeakPolarHBondContact O-CG 3.37Å; S22-L24 PolarHBondContact O-N 2.87Å; S22-L24 PolarHBondContact OG-N 3.37Å; L24-K45 HydrophobicContact CB-CB 4.33Å; L24-K45 HydrophobicContact CD1-CB 3.76Å; L24-L47 HydrophobicContact CD2-CD2 4.48Å; L24-L47 HydrophobicContact CD2-CG 4.07Å
25T90.6Very high91.1Very high0 Ų048.9 Ų48.90%026%0.262CS..  trans-144.9137.3-175.9-46.30000108.4P16 M18 A27 K45 S46 L47 D76 I86P16-T25 PolarHBondContact O-OG1 2.98Å; M18-T25 HydrophobicContact CB-CG2 4.16Å; M18-T25 HydrophobicContact CG-CG2 3.87Å; T25-A27 HydrophobicContact CG2-CB 4.06Å; T25-K45 PolarHBondContact O-N 3.17Å; T25-K45 VanDerWaalsContact O-N 3.14Å; T25-S46 PolarHBondContact O-N 3.45Å; T25-L47 WeakPolarHBondContact OG1-CD2 3.45Å; T25-D76 HydrophobicContact CG2-CB 4.17Å; T25-D76 WeakPolarHBondContact CG2-OD1 3.44Å; T25-I86 HydrophobicContact CG2-CD1 3.59Å
26D92.8Very high90.9Very high28 Ų2851.6 Ų51.615%0.1528%0.278CS..  trans-99.571.7174.4-74.8-10.4000109V42 F43 P44 K45 D76 H77D26-V42 HydrophobicContact CB-CG1 4.32Å; D26-F43 CarbonylContact C-O 3.58Å; D26-P44 WeakPolarHBondContact OD1-CA 3.31Å; D26-K45 PolarHBondContact OD1-N 2.81Å; D26-D76 WeakPolarHBondContact CA-OD1 3.08Å; D26-D76 PolarHBondContact N-OD1 3.08Å; D26-H77 HydrophobicContact CB-CB 4.29Å; D26-H77 WeakPolarHBondContact O-CB 3.4Å; D26-H77 PolarHBondContact O-N 2.84Å
27A94.8Very high91Very high0 Ų053.5 Ų53.50%029%0.289CS..EExtended strand (participates in β ladder)trans-82.9138.2-165.300000114.3L15 T25 F43 P49 W51 L75L15-A27 HydrophobicContact CD1-CB 3.83Å; T25-A27 HydrophobicContact CG2-CB 4.06Å; A27-F43 PolarHBondContact N-O 3.41Å; A27-F43 VanDerWaalsContact N-O 3.11Å; A27-F43 PolarHBondContact O-N 2.94Å; A27-P49 HydrophobicContact CB-CG 4.23Å; A27-W51 HydrophobicContact CB-CH2 4.46Å; A27-W51 HydrophobicContact CB-CZ2 3.81Å; A27-W51 PolarHBondContact O-NE1 3.31Å; A27-L75 WeakPolarHBondContact CA-O 3.47Å
28F96.4Very high91.2Very high11 Ų1153.9 Ų53.95%0.04829%0.286CS..EExtended strand (participates in β ladder)trans-136.4162.8164.473.8-80.7000111.2K39 V42 L75 H77 N83F28-K39 HydrophobicContact CE2-CD 4.25Å; F28-V42 HydrophobicContact CB-CG2 4.06Å; F28-V42 HydrophobicContact CD1-CG2 4.27Å; F28-V42 HydrophobicContact CG-CG2 4.33Å; F28-L75 HydrophobicContact CD1-CB 4.17Å; F28-L75 HydrophobicContact CE1-CB 3.59Å; F28-L75 HydrophobicContact CE2-CB 4.21Å; F28-L75 HydrophobicContact CE2-CD1 3.9Å; F28-L75 HydrophobicContact CZ-CB 3.61Å; F28-L75 HydrophobicContact CZ-CD1 4.03Å; F28-L75 HydrophobicContact CZ-CD2 4.25Å; F28-L75 HydrophobicContact CZ-CG 4.18Å; F28-L75 PolarHBondContact N-O 2.97Å; F28-L75 PolarHBondContact O-N 2.92Å; F28-H77 HydrophobicContact CD1-CB 3.9Å; F28-H77 HydrophobicContact CE1-CB 4.03Å; F28-N83 HydrophobicContact CE1-CB 4.24Å; F28-N83 HydrophobicContact CZ-CB 4.33Å
29V97.4Very high91.5Very high0 Ų057.3 Ų57.30%030%0.299CS..EExtended strand (participates in β ladder)trans-121.1130.9-174.2-175.60000110.6I9 V31 K39 T40 W51 I72 T73 V74 I122I9-V29 HydrophobicContact CD1-CG1 4.12Å; I9-V29 HydrophobicContact CG1-CG1 4.1Å; I9-V29 HydrophobicContact CG2-CB 4.31Å; I9-V29 HydrophobicContact CG2-CG1 4.4Å; I9-V29 HydrophobicContact CG2-CG2 4.05Å; V29-V31 HydrophobicContact CG1-CG2 4.21Å; V29-K39 CarbonylContact O-C 3.58Å; V29-K39 WeakPolarHBondContact O-CA 2.76Å; V29-T40 HydrophobicContact CB-CG2 3.98Å; V29-T40 PolarHBondContact N-OG1 2.91Å; V29-T40 PolarHBondContact O-N 2.83Å; V29-W51 HydrophobicContact CG2-CD2 4.21Å; V29-W51 HydrophobicContact CG2-CE3 4.15Å; V29-W51 HydrophobicContact CG2-CH2 3.53Å; V29-W51 HydrophobicContact CG2-CZ2 3.65Å; V29-W51 HydrophobicContact CG2-CZ3 3.8Å; V29-I72 HydrophobicContact CG1-CG2 3.42Å; V29-I72 VanDerWaalsContact CG1-CG2 3.42Å; V29-T73 WeakPolarHBondContact CA-O 3.47Å; V29-V74 HydrophobicContact CG2-CG1 4.47Å; V29-V74 HydrophobicContact CG2-CG2 4.29Å; V29-I122 HydrophobicContact CG1-CD1 3.96Å; V29-I122 HydrophobicContact CG2-CD1 3.81Å
30E97.1Very high92Very high41 Ų4156.3 Ų56.319%0.19230%0.295CS..EExtended strand (participates in β ladder)trans-101.4124.1170.2-174.5172.4145.300109.6T37 F38 K39 I72 T73 L75E30-T37 VanDerWaalsContact CD-CG2 3.48Å; E30-T37 HydrophobicContact CG-CG2 3.32Å; E30-T37 WeakPolarHBondContact OE1-CG2 3.04Å; E30-F38 CarbonylContact C-O 3.54Å; E30-F38 WeakPolarHBondContact CA-O 2.86Å; E30-K39 HydrophobicContact CB-CG 4.39Å; E30-K39 HydrophobicContact CG-CG 4.22Å; E30-K39 WeakPolarHBondContact OE2-CE 3.43Å; E30-K39 IonicContact OE2-NZ 3.81Å; E30-K39 PolarHBondContact OE2-NZ 3.19Å; E30-I72 CarbonylContact O-C 3.57Å; E30-I72 WeakPolarHBondContact O-CA 3.41Å; E30-T73 PolarHBondContact N-O 2.88Å; E30-T73 PolarHBondContact O-N 3.19Å; E30-L75 HydrophobicContact CB-CD1 3.94Å
31V97Very high92.5Very high0 Ų051.9 Ų51.90%029%0.289CS..EExtended strand (participates in β ladder)trans-112.1115.7179.3-171.70000108.3A7 I9 V29 T37 F38 F56 F58 L70 I72A7-V31 HydrophobicContact CB-CG1 4.1Å; I9-V31 HydrophobicContact CD1-CG2 3.78Å; I9-V31 HydrophobicContact CG1-CG2 3.71Å; V29-V31 HydrophobicContact CG1-CG2 4.21Å; V31-T37 CarbonylContact O-C 3.53Å; V31-T37 WeakPolarHBondContact O-CA 3.27Å; V31-F38 PolarHBondContact N-O 3.12Å; V31-F38 PolarHBondContact O-N 3.18Å; V31-F56 HydrophobicContact CB-CD2 4.36Å; V31-F56 HydrophobicContact CG2-CD2 3.97Å; V31-F56 HydrophobicContact CG2-CE2 4.02Å; V31-F58 HydrophobicContact CG1-CE2 4.12Å; V31-F58 HydrophobicContact CG1-CZ 3.86Å; V31-L70 HydrophobicContact CG1-CD1 3.85Å; V31-I72 HydrophobicContact CG1-CG1 4.47Å
32K95.1Very high93.1Very high47 Ų4749.6 Ų49.620%0.20426%0.264CS..EExtended strand (participates in β ladder)trans-123.7134.3-175.1-179.7-179.4179.7-173.90111.1G34 T36 Q71K32-G34 WeakPolarHBondContact CE-O 3.36Å; K32-T36 WeakPolarHBondContact CA-O 3.42Å; K32-Q71 HydrophobicContact CB-CB 4.31Å; K32-Q71 PolarHBondContact N-O 2.82Å; K32-Q71 PolarHBondContact O-N 2.81Å
33F93.1Very high93.7Very high1 Ų151.3 Ų51.30%0.00427%0.266CS..EExtended strand (participates in β ladder)trans-138.1122.2171.8-166.1-92.6000109.3L5 N35 T36 F58 V60 D64 L65 E68 L70 I93L5-F33 HydrophobicContact CD2-CB 4.25Å; L5-F33 HydrophobicContact CD2-CD1 4Å; L5-F33 HydrophobicContact CD2-CD2 3.27Å; L5-F33 HydrophobicContact CD2-CE1 4.21Å; L5-F33 HydrophobicContact CD2-CE2 3.53Å; L5-F33 HydrophobicContact CD2-CG 3.54Å; L5-F33 HydrophobicContact CD2-CZ 4Å; F33-N35 PolarHBondContact O-N 2.86Å; F33-N35 VanDerWaalsContact O-N 3.16Å; F33-T36 PolarHBondContact N-O 3.27Å; F33-T36 PolarHBondContact O-N 3.48Å; F33-T36 PolarHBondContact O-OG1 2.94Å; F33-F58 HydrophobicContact CB-CD1 3.88Å; F33-F58 HydrophobicContact CB-CD2 4.32Å; F33-F58 HydrophobicContact CB-CE1 3.89Å; F33-F58 HydrophobicContact CB-CE2 4.37Å; F33-F58 HydrophobicContact CB-CG 4.06Å; F33-F58 HydrophobicContact CB-CZ 4.14Å; F33-V60 HydrophobicContact CD1-CB 4.43Å; F33-V60 HydrophobicContact CD1-CG1 4.01Å; F33-V60 HydrophobicContact CD1-CG2 3.64Å; F33-V60 HydrophobicContact CE1-CB 4.1Å; F33-V60 HydrophobicContact CE1-CG1 3.52Å; F33-V60 HydrophobicContact CE1-CG2 3.76Å; F33-D64 WeakPolarHBondContact CZ-O 3.31Å; F33-L65 HydrophobicContact CZ-CD1 4.24Å; F33-E68 WeakPolarHBondContact CE2-O 3.38Å; F33-E68 HydrophobicContact CZ-CB 4.28Å; F33-E68 WeakPolarHBondContact CZ-O 3.13Å; F33-L70 HydrophobicContact CB-CD1 4.08Å; F33-L70 HydrophobicContact CD2-CB 3.97Å; F33-L70 HydrophobicContact CD2-CD1 4.01Å; F33-L70 HydrophobicContact CE2-CB 4.43Å; F33-I93 HydrophobicContact CE2-CG1 3.94Å
34G87.5Confident93.9Very high6 Ų649.6 Ų49.66%0.06226%0.261CS..THydrogen-bonded Turntrans51.3-119.2-170.800000112K32K32-G34 WeakPolarHBondContact CE-O 3.36Å
35N86.6Confident93.9Very high161 Ų16153.4 Ų53.486%0.86128%0.276SS*.THydrogen-bonded Turntrans-91.9-2.1-180-67.8-34.7000114.6F33F33-N35 PolarHBondContact O-N 2.86Å; F33-N35 VanDerWaalsContact O-N 3.16Å
36T92.4Very high94Very high63 Ų6354.6 Ų54.639%0.38728%0.284SS..EExtended strand (participates in β ladder)trans-104.6136.6-174.456.40000111.6K32 F33 F58K32-T36 WeakPolarHBondContact CA-O 3.42Å; F33-T36 PolarHBondContact N-O 3.27Å; F33-T36 PolarHBondContact O-N 3.48Å; F33-T36 PolarHBondContact O-OG1 2.94Å; T36-F58 WeakPolarHBondContact OG1-CD1 3.5Å; T36-F58 WeakPolarHBondContact OG1-CE1 3.47Å
37T95.1Very high94.1Very high59 Ų5955.3 Ų55.336%0.36229%0.287SS..EExtended strand (participates in β ladder)trans-134.5132.7-177.1-63.20000110.5E30 V31E30-T37 VanDerWaalsContact CD-CG2 3.48Å; E30-T37 HydrophobicContact CG-CG2 3.32Å; E30-T37 WeakPolarHBondContact OE1-CG2 3.04Å; V31-T37 CarbonylContact O-C 3.53Å; V31-T37 WeakPolarHBondContact O-CA 3.27Å
38F96.6Very high94.2Very high77 Ų7759.3 Ų59.334%0.33831%0.309SS..EExtended strand (participates in β ladder)trans-119.7160.4169.8-63.6-72.5000111E30 V31 F56 F58E30-F38 CarbonylContact C-O 3.54Å; E30-F38 WeakPolarHBondContact CA-O 2.86Å; V31-F38 PolarHBondContact N-O 3.12Å; V31-F38 PolarHBondContact O-N 3.18Å; F38-F56 HydrophobicContact CB-CB 4.37Å; F38-F56 HydrophobicContact CB-CD1 3.38Å; F38-F56 HydrophobicContact CB-CE1 3.71Å; F38-F56 HydrophobicContact CB-CG 3.87Å; F38-F56 HydrophobicContact CB-CZ 4.44Å; F38-F56 HydrophobicContact CD1-CD1 4.16Å; F38-F56 HydrophobicContact CD2-CB 3.8Å; F38-F56 HydrophobicContact CD2-CD1 4.12Å; F38-F56 HydrophobicContact CD2-CG 4.23Å; F38-F56 HydrophobicContact CE2-CB 4.38Å; F38-F56 HydrophobicContact CG-CB 4.22Å; F38-F56 AromaticContact CG-CD1 3.64Å; F38-F56 HydrophobicContact CG-CD1 3.64Å; F38-F56 HydrophobicContact CG-CE1 4.35Å; F38-F56 HydrophobicContact CG-CG 4.16Å; F38-F58 HydrophobicContact CD2-CD1 4.13Å; F38-F58 AromaticContact CD2-CE1 3.37Å; F38-F58 HydrophobicContact CD2-CE1 3.37Å; F38-F58 HydrophobicContact CD2-CE2 4.4Å; F38-F58 AromaticContact CD2-CZ 3.53Å; F38-F58 HydrophobicContact CD2-CZ 3.53Å; F38-F58 AromaticContact CE2-CD1 3.68Å; F38-F58 HydrophobicContact CE2-CD1 3.68Å; F38-F58 AromaticContact CE2-CE1 3.41Å; F38-F58 HydrophobicContact CE2-CE1 3.41Å; F38-F58 VanDerWaalsContact CE2-CE1 3.41Å; F38-F58 HydrophobicContact CE2-CG 4.44Å; F38-F58 AromaticContact CE2-CZ 3.93Å; F38-F58 HydrophobicContact CE2-CZ 3.93Å
39K96.1Very high94.1Very high117 Ų11758.8 Ų58.851%0.50931%0.307SS..EExtended strand (participates in β ladder)trans-133.2146.2178.7-63.4-174.9177.8-164.90110.5F28 V29 E30F28-K39 HydrophobicContact CE2-CD 4.25Å; V29-K39 CarbonylContact O-C 3.58Å; V29-K39 WeakPolarHBondContact O-CA 2.76Å; E30-K39 HydrophobicContact CB-CG 4.39Å; E30-K39 HydrophobicContact CG-CG 4.22Å; E30-K39 WeakPolarHBondContact OE2-CE 3.43Å; E30-K39 IonicContact OE2-NZ 3.81Å; E30-K39 PolarHBondContact OE2-NZ 3.19Å
40T96.9Very high94.1Very high15 Ų1564.8 Ų64.89%0.09234%0.335CS..PPolyproline II helixtrans-82.6167167.967.40000110.8I9 V29 W51 F56I9-T40 HydrophobicContact CB-CG2 4.14Å; I9-T40 HydrophobicContact CG1-CG2 4.19Å; I9-T40 HydrophobicContact CG2-CG2 4.39Å; V29-T40 HydrophobicContact CB-CG2 3.98Å; V29-T40 PolarHBondContact N-OG1 2.91Å; V29-T40 PolarHBondContact O-N 2.83Å; T40-W51 HydrophobicContact CG2-CG 4.5Å; T40-F56 HydrophobicContact CG2-CE2 4.1Å; T40-F56 HydrophobicContact CG2-CZ 4.02Å
41D94.9Very high94Very high144 Ų14464.3 Ų64.377%0.7733%0.331SS*.PPolyproline II helixtrans-64.9154.6164.2-60.5-43.2000111W51D41-W51 VanDerWaalsContact O-CD1 3.3Å; D41-W51 PolarHBondContact O-NE1 2.81Å
42V95.1Very high93.9Very high63 Ų6368.7 Ų68.738%0.38235%0.354SS..PPolyproline II helixtrans-74.8129.3176-178.20000109.5D26 F28 P44 H77D26-V42 HydrophobicContact CB-CG1 4.32Å; F28-V42 HydrophobicContact CB-CG2 4.06Å; F28-V42 HydrophobicContact CD1-CG2 4.27Å; F28-V42 HydrophobicContact CG-CG2 4.33Å; V42-P44 WeakPolarHBondContact O-CD 3.48Å; V42-H77 HydrophobicContact CG1-CB 3.82Å; V42-H77 HydrophobicContact CG2-CB 4.09Å
43F94.3Very high93.9Very high74 Ų7467 Ų6733%0.32535%0.349SS..BIsolated β-bridgetrans-103.2106173.1-163.9-72.8000109.3D26 A27 S46 P49D26-F43 CarbonylContact C-O 3.58Å; A27-F43 PolarHBondContact N-O 3.41Å; A27-F43 VanDerWaalsContact N-O 3.11Å; A27-F43 PolarHBondContact O-N 2.94Å; F43-S46 VanDerWaalsContact CE1-CB 3.49Å; F43-P49 HydrophobicContact CB-CB 3.7Å; F43-P49 HydrophobicContact CD1-CB 3.76Å; F43-P49 HydrophobicContact CD2-CB 4.28Å; F43-P49 HydrophobicContact CG-CB 3.63Å
44P92.3Very high93.9Very high79 Ų7975 Ų7551%0.51339%0.386SS..  trans-76146.5-173.430-34.6000112.4D26 V42 S46D26-P44 WeakPolarHBondContact OD1-CA 3.31Å; V42-P44 WeakPolarHBondContact O-CD 3.48Å; P44-S46 PolarHBondContact O-N 3.13Å
45K90.6Very high94.3Very high136 Ų13679.2 Ų79.259%0.59140%0.4SS*.SBendtrans53.752.8163.3-60-179.1-175.7-179.80113.7L24 T25 D26L24-K45 HydrophobicContact CB-CB 4.33Å; L24-K45 HydrophobicContact CD1-CB 3.76Å; T25-K45 PolarHBondContact O-N 3.17Å; T25-K45 VanDerWaalsContact O-N 3.14Å; D26-K45 PolarHBondContact OD1-N 2.81Å
46S93Very high94.7Very high24 Ų2472.9 Ų72.917%0.16837%0.365CS..  trans-151.4133.9176.6-175.20000113.3T25 F43 P44 N48T25-S46 PolarHBondContact O-N 3.45Å; F43-S46 VanDerWaalsContact CE1-CB 3.49Å; P44-S46 PolarHBondContact O-N 3.13Å; S46-N48 VanDerWaalsContact C-N 3.27Å; S46-N48 VanDerWaalsContact OG-C 3.26Å; S46-N48 PolarHBondContact OG-N 3.28Å; S46-N48 VanDerWaalsContact OG-N 3.07Å; S46-N48 PolarHBondContact OG-O 2.97Å
47L94.1Very high94.8Very high44 Ų4476.6 Ų76.623%0.2338%0.376CS..SBendtrans-83-6.5169.3-52.8-176.4000112.8R13 H14 L15 V17 L24 T25 P49R13-L47 CarbonylContact C-O 3.59Å; H14-L47 PolarHBondContact N-O 3.16Å; L15-L47 PolarHBondContact N-O 2.76Å; L15-L47 WeakPolarHBondContact O-CD2 3.48Å; V17-L47 HydrophobicContact CG2-CD1 4.16Å; V17-L47 HydrophobicContact CG2-CD2 4.29Å; L24-L47 HydrophobicContact CD2-CD2 4.48Å; L24-L47 HydrophobicContact CD2-CG 4.07Å; T25-L47 WeakPolarHBondContact OG1-CD2 3.45Å; L47-P49 VanDerWaalsContact C-CD 3.46Å
48N96.2Very high94.6Very high84 Ų8473.9 Ų73.945%0.44936%0.359SS..SBendtrans-133.360.5179.2-55.1-77.5000110.9G12 R13 H14 S46G12-N48 CarbonylContact O-C 3.58Å; G12-N48 VanDerWaalsContact O-C 3.31Å; G12-N48 WeakPolarHBondContact O-CA 3.48Å; R13-N48 WeakPolarHBondContact CA-OD1 3.49Å; R13-N48 VanDerWaalsContact CB-OD1 3.31Å; R13-N48 WeakPolarHBondContact CB-OD1 3.07Å; H14-N48 PolarHBondContact N-OD1 2.7Å; S46-N48 VanDerWaalsContact C-N 3.27Å; S46-N48 VanDerWaalsContact OG-C 3.26Å; S46-N48 PolarHBondContact OG-N 3.28Å; S46-N48 VanDerWaalsContact OG-N 3.07Å; S46-N48 PolarHBondContact OG-O 2.97Å
49P95.6Very high94.2Very high0 Ų077.2 Ų77.20%038%0.376CS..  trans-65.2147.9-176.529.1-37.6000112.1A11 G12 L15 A27 F43 L47 W51A11-P49 CarbonylContact C-O 3.51Å; A11-P49 VanDerWaalsContact CA-O 3.29Å; A11-P49 WeakPolarHBondContact CA-O 3.16Å; A11-P49 WeakPolarHBondContact CB-O 3.35Å; G12-P49 PolarHBondContact N-O 3.15Å; L15-P49 HydrophobicContact CD1-CG 3.68Å; A27-P49 HydrophobicContact CB-CG 4.23Å; F43-P49 HydrophobicContact CB-CB 3.7Å; F43-P49 HydrophobicContact CD1-CB 3.76Å; F43-P49 HydrophobicContact CD2-CB 4.28Å; F43-P49 HydrophobicContact CG-CB 3.63Å; L47-P49 VanDerWaalsContact C-CD 3.46Å; P49-W51 HydrophobicContact CB-CD2 4.31Å; P49-W51 HydrophobicContact CB-CH2 3.97Å; P49-W51 HydrophobicContact CB-CZ2 3.67Å; P49-W51 HydrophobicContact CB-CZ3 4.37Å; P49-W51 HydrophobicContact CG-CE3 4.37Å; P49-W51 HydrophobicContact CG-CH2 3.21Å; P49-W51 HydrophobicContact CG-CZ2 3.35Å; P49-W51 HydrophobicContact CG-CZ3 3.77Å
50Q96.1Very high93.5Very high126 Ų12672.2 Ų72.259%0.58936%0.355SS*.  trans-124.297.4175-65.5-169.25.200109.9A11A11-Q50 HydrophobicContact CB-CG 4.13Å
51W95.8Very high92.7Very high31 Ų3176.2 Ų76.212%0.11738%0.376CS..  trans-81.9-38.1-177.9-60.7-80.1000112.8I9 V10 G12 A27 V29 T40 D41 P49 S53 I122I9-W51 HydrophobicContact CG2-CB 4.46Å; I9-W51 HydrophobicContact CG2-CD2 4.22Å; I9-W51 HydrophobicContact CG2-CE3 3.63Å; I9-W51 HydrophobicContact CG2-CZ3 4.18Å; V10-W51 PolarHBondContact O-N 3.1Å; V10-W51 VanDerWaalsContact O-N 3.15Å; G12-W51 VanDerWaalsContact N-CZ3 3.26Å; A27-W51 HydrophobicContact CB-CH2 4.46Å; A27-W51 HydrophobicContact CB-CZ2 3.81Å; A27-W51 PolarHBondContact O-NE1 3.31Å; V29-W51 HydrophobicContact CG2-CD2 4.21Å; V29-W51 HydrophobicContact CG2-CE3 4.15Å; V29-W51 HydrophobicContact CG2-CH2 3.53Å; V29-W51 HydrophobicContact CG2-CZ2 3.65Å; V29-W51 HydrophobicContact CG2-CZ3 3.8Å; T40-W51 HydrophobicContact CG2-CG 4.5Å; D41-W51 VanDerWaalsContact O-CD1 3.3Å; D41-W51 PolarHBondContact O-NE1 2.81Å; P49-W51 HydrophobicContact CB-CD2 4.31Å; P49-W51 HydrophobicContact CB-CH2 3.97Å; P49-W51 HydrophobicContact CB-CZ2 3.67Å; P49-W51 HydrophobicContact CB-CZ3 4.37Å; P49-W51 HydrophobicContact CG-CE3 4.37Å; P49-W51 HydrophobicContact CG-CH2 3.21Å; P49-W51 HydrophobicContact CG-CZ2 3.35Å; P49-W51 HydrophobicContact CG-CZ3 3.77Å; W51-S53 PolarHBondContact O-N 2.84Å; W51-I122 HydrophobicContact CZ3-CD1 4.36Å
52N94.7Very high91.9Very high91 Ų9170.8 Ų70.849%0.48735%0.346SS..  trans43.748-175.4-69-60.8000113.2I9 V10I9-N52 PolarHBondContact O-N 3.28Å; V10-N52 PolarHBondContact O-N 2.72Å
53S94.3Very high91.2Very high13 Ų1371.4 Ų71.49%0.09135%0.345CS..  trans-58.6161.2-170.479.40000112.7K8 I9 W51 F56K8-S53 WeakPolarHBondContact CD-O 3.33Å; K8-S53 WeakPolarHBondContact CE-O 3.42Å; K8-S53 WeakPolarHBondContact CG-O 3.44Å; I9-S53 PolarHBondContact N-OG 3.11Å; I9-S53 PolarHBondContact O-N 2.85Å; I9-S53 PolarHBondContact O-OG 3.08Å; W51-S53 PolarHBondContact O-N 2.84Å; S53-F56 WeakPolarHBondContact OG-CE2 3.43Å
54E94.3Very high90.7Very high169 Ų16970.9 Ų70.979%0.7935%0.346SS*.  trans-64.8167.8160.6-63-166.4170.500110.9F56E54-F56 PolarHBondContact O-N 2.96Å
55W94.9Very high90.3Very high94 Ų9467.2 Ų67.236%0.35632%0.322SS..  trans-72.5113.2173.8-72.698.8000109.9K6 K8 K57 L125 K127K6-W55 HydrophobicContact CB-CD2 4.3Å; K6-W55 HydrophobicContact CB-CE3 3.51Å; K6-W55 HydrophobicContact CB-CZ3 3.91Å; K8-W55 HydrophobicContact CB-CD2 4Å; K8-W55 HydrophobicContact CB-CE3 3.78Å; K8-W55 HydrophobicContact CB-CZ3 4.11Å; W55-K57 PolarHBondContact O-N 2.64Å; W55-L125 HydrophobicContact CH2-CB 4.44Å; W55-L125 HydrophobicContact CH2-CD2 3.29Å; W55-L125 HydrophobicContact CH2-CG 3.52Å; W55-L125 HydrophobicContact CZ2-CD2 3.43Å; W55-L125 VanDerWaalsContact CZ2-CD2 3.43Å; W55-L125 HydrophobicContact CZ2-CG 4.2Å; W55-L125 HydrophobicContact CZ3-CD2 4.23Å; W55-L125 HydrophobicContact CZ3-CG 4.16Å; W55-K127 HydrophobicContact CH2-CB 4.03Å; W55-K127 HydrophobicContact CZ3-CB 4.04Å
56F95.2Very high89.9Confident28 Ų2861.3 Ų61.312%0.12330%0.296CS..EExtended strand (participates in β ladder)trans-70.2124.1164.7-58.5-60.8000108.5K6 A7 I9 V31 F38 T40 S53 E54 F58K6-F56 CarbonylContact C-O 3.18Å; K6-F56 VanDerWaalsContact CA-O 3.23Å; K6-F56 WeakPolarHBondContact CA-O 3.27Å; A7-F56 PolarHBondContact N-O 2.72Å; A7-F56 PolarHBondContact O-N 2.87Å; I9-F56 HydrophobicContact CG1-CE2 4.12Å; V31-F56 HydrophobicContact CB-CD2 4.36Å; V31-F56 HydrophobicContact CG2-CD2 3.97Å; V31-F56 HydrophobicContact CG2-CE2 4.02Å; F38-F56 HydrophobicContact CB-CB 4.37Å; F38-F56 HydrophobicContact CB-CD1 3.38Å; F38-F56 HydrophobicContact CB-CE1 3.71Å; F38-F56 HydrophobicContact CB-CG 3.87Å; F38-F56 HydrophobicContact CB-CZ 4.44Å; F38-F56 HydrophobicContact CD1-CD1 4.16Å; F38-F56 HydrophobicContact CD2-CB 3.8Å; F38-F56 HydrophobicContact CD2-CD1 4.12Å; F38-F56 HydrophobicContact CD2-CG 4.23Å; F38-F56 HydrophobicContact CE2-CB 4.38Å; F38-F56 HydrophobicContact CG-CB 4.22Å; F38-F56 AromaticContact CG-CD1 3.64Å; F38-F56 HydrophobicContact CG-CD1 3.64Å; F38-F56 HydrophobicContact CG-CE1 4.35Å; F38-F56 HydrophobicContact CG-CG 4.16Å; T40-F56 HydrophobicContact CG2-CE2 4.1Å; T40-F56 HydrophobicContact CG2-CZ 4.02Å; S53-F56 WeakPolarHBondContact OG-CE2 3.43Å; E54-F56 PolarHBondContact O-N 2.96Å; F56-F58 HydrophobicContact CB-CE2 4.19Å; F56-F58 HydrophobicContact CB-CZ 4.4Å
57K94.1Very high89.7Confident140 Ų14061.2 Ų61.261%0.60929%0.294SS*.EExtended strand (participates in β ladder)trans-112.5125.7-175.1-61.3174.2-172.2166.20108.9K6 W55K6-K57 HydrophobicContact CD-CG 4.49Å; K6-K57 HydrophobicContact CG-CG 4.21Å; W55-K57 PolarHBondContact O-N 2.64Å
58F91.6Very high89.5Confident3 Ų360.9 Ų60.91%0.01329%0.291CS..EExtended strand (participates in β ladder)trans-111.5126.7175.9-55.3-80.4000108.1L5 A7 V31 F33 T36 F38 F56 V60 L70L5-F58 HydrophobicContact CB-CB 4.16Å; L5-F58 HydrophobicContact CB-CD2 4.42Å; L5-F58 HydrophobicContact CD2-CD2 4.04Å; L5-F58 HydrophobicContact CG-CD2 4.1Å; L5-F58 PolarHBondContact N-O 3.25Å; L5-F58 VanDerWaalsContact N-O 3.12Å; L5-F58 PolarHBondContact O-N 3.4Å; A7-F58 HydrophobicContact CB-CE2 4.24Å; V31-F58 HydrophobicContact CG1-CE2 4.12Å; V31-F58 HydrophobicContact CG1-CZ 3.86Å; F33-F58 HydrophobicContact CB-CD1 3.88Å; F33-F58 HydrophobicContact CB-CD2 4.32Å; F33-F58 HydrophobicContact CB-CE1 3.89Å; F33-F58 HydrophobicContact CB-CE2 4.37Å; F33-F58 HydrophobicContact CB-CG 4.06Å; F33-F58 HydrophobicContact CB-CZ 4.14Å; T36-F58 WeakPolarHBondContact OG1-CD1 3.5Å; T36-F58 WeakPolarHBondContact OG1-CE1 3.47Å; F38-F58 HydrophobicContact CD2-CD1 4.13Å; F38-F58 AromaticContact CD2-CE1 3.37Å; F38-F58 HydrophobicContact CD2-CE1 3.37Å; F38-F58 HydrophobicContact CD2-CE2 4.4Å; F38-F58 AromaticContact CD2-CZ 3.53Å; F38-F58 HydrophobicContact CD2-CZ 3.53Å; F38-F58 AromaticContact CE2-CD1 3.68Å; F38-F58 HydrophobicContact CE2-CD1 3.68Å; F38-F58 AromaticContact CE2-CE1 3.41Å; F38-F58 HydrophobicContact CE2-CE1 3.41Å; F38-F58 VanDerWaalsContact CE2-CE1 3.41Å; F38-F58 HydrophobicContact CE2-CG 4.44Å; F38-F58 AromaticContact CE2-CZ 3.93Å; F38-F58 HydrophobicContact CE2-CZ 3.93Å; F56-F58 HydrophobicContact CB-CE2 4.19Å; F56-F58 HydrophobicContact CB-CZ 4.4Å; F58-V60 HydrophobicContact CB-CG2 3.62Å; F58-L70 HydrophobicContact CE2-CD1 4.22Å
59E87.4Confident89.3Confident147 Ų14757.5 Ų57.569%0.68727%0.274SS*.EExtended strand (participates in β ladder)trans-100.8113.8169.8-61.5-168.9154.500106.4K4K4-E59 IonicContact NZ-OE1 3.69Å
60V81.8Confident89.3Confident12 Ų1257.5 Ų57.57%0.07327%0.274CS..EExtended strand (participates in β ladder)trans-139142.1-165.1-161.60000109.8P2 G3 F33 F58 D64P2-V60 CarbonylContact C-O 3.43Å; P2-V60 WeakPolarHBondContact CA-O 3.46Å; G3-V60 PolarHBondContact N-O 3.05Å; G3-V60 PolarHBondContact O-N 2.85Å; F33-V60 HydrophobicContact CD1-CB 4.43Å; F33-V60 HydrophobicContact CD1-CG1 4.01Å; F33-V60 HydrophobicContact CD1-CG2 3.64Å; F33-V60 HydrophobicContact CE1-CB 4.1Å; F33-V60 HydrophobicContact CE1-CG1 3.52Å; F33-V60 HydrophobicContact CE1-CG2 3.76Å; F58-V60 HydrophobicContact CB-CG2 3.62Å; V60-D64 HydrophobicContact CG1-CB 3.28Å
61D81.6Confident89.2Confident98 Ų9852.4 Ų52.452%0.52425%0.25SS..EExtended strand (participates in β ladder)trans-67.3157.6173-70.2-45000111.9E63 D64 L65D61-E63 PolarHBondContact O-N 3.11Å; D61-D64 PolarHBondContact O-N 3.01Å; D61-L65 PolarHBondContact O-N 2.78Å
62D76.5Confident89.3Confident30 Ų3051 Ų5116%0.1625%0.245CC..Hα-helixtrans-64.1-27.7-176.1-56.3-52.6000113.2M1M1-D62 WeakPolarHBondContact CA-OD2 3.5Å; M1-D62 WeakPolarHBondContact CB-OD2 3.44Å; M1-D62 PolarHBondContact N-OD2 3.38Å; M1-D62 PolarHBondContact O-N 2.99Å
63E80.1Confident89.4Confident76 Ų7647.1 Ų47.136%0.35523%0.225SC..Hα-helixtrans-67.8-55.4177.7174.4164.5-150.600110.8D61 L65 Q66 D67 R205D61-E63 PolarHBondContact O-N 3.11Å; E63-L65 PolarHBondContact O-N 3.29Å; E63-L65 VanDerWaalsContact O-N 3.13Å; E63-Q66 PolarHBondContact O-N 3.03Å; E63-D67 WeakPolarHBondContact CG-OD2 3.49Å; E63-D67 PolarHBondContact O-N 2.92Å; E63-R205 IonicContact OE1-CZ 3.1Å; E63-R205 IonicContact OE1-NH1 2.81Å; E63-R205 PolarHBondContact OE1-NH1 2.93Å; E63-R205 VanDerWaalsContact OE1-NH1 3.15Å; E63-R205 IonicContact OE1-NH2 2.79Å; E63-R205 PolarHBondContact OE1-NH2 3.15Å
64D84.1Confident89.5Confident64 Ų6446.5 Ų46.534%0.34222%0.22SC..Hα-helixtrans-57.2-29.4176-71.6-14.3000112.5F33 V60 D61 Q66 E68F33-D64 WeakPolarHBondContact CZ-O 3.31Å; V60-D64 HydrophobicContact CG1-CB 3.28Å; D61-D64 PolarHBondContact O-N 3.01Å; D64-Q66 VanDerWaalsContact C-N 3.28Å; D64-Q66 PolarHBondContact O-N 2.85Å; D64-E68 WeakPolarHBondContact O-CB 3.27Å; D64-E68 PolarHBondContact O-N 2.78Å
65L83.6Confident89.5Confident1 Ų139.4 Ų39.41%0.00519%0.188CC..Hα-helixtrans-67.2-28.3178.7-167.564.7000113.3L5 F33 D61 E63 I93 L97 V128 L130L5-L65 HydrophobicContact CB-CD1 4.48Å; F33-L65 HydrophobicContact CZ-CD1 4.24Å; D61-L65 PolarHBondContact O-N 2.78Å; E63-L65 PolarHBondContact O-N 3.29Å; E63-L65 VanDerWaalsContact O-N 3.13Å; L65-I93 HydrophobicContact CD1-CG2 3.81Å; L65-I93 HydrophobicContact CG-CG2 4.32Å; L65-L97 HydrophobicContact CD2-CD1 4.4Å; L65-L97 HydrophobicContact CD2-CD2 3.41Å; L65-L97 VanDerWaalsContact CD2-CD2 3.41Å; L65-L97 HydrophobicContact CG-CD1 4.19Å; L65-L97 HydrophobicContact CG-CD2 3.78Å; L65-V128 HydrophobicContact CD2-CG1 4.3Å; L65-L130 HydrophobicContact CD2-CD2 3.66Å
66Q83.9Confident89.5Confident12 Ų1235 Ų356%0.05617%0.171CC..Hα-helixtrans-96.2-31.6177.1-57.2-167.3-8500111.8E63 D64 D94 L97 S140 S141 G201 R205E63-Q66 PolarHBondContact O-N 3.03Å; D64-Q66 VanDerWaalsContact C-N 3.28Å; D64-Q66 PolarHBondContact O-N 2.85Å; Q66-D94 WeakPolarHBondContact CA-OD1 3.27Å; Q66-L97 HydrophobicContact CG-CD1 3.72Å; Q66-S140 VanDerWaalsContact OE1-CA 3.29Å; Q66-S141 PolarHBondContact NE2-OG 3.24Å; Q66-S141 PolarHBondContact OE1-OG 2.78Å; Q66-G201 VanDerWaalsContact O-CA 3.27Å; Q66-G201 WeakPolarHBondContact O-CA 3.47Å; Q66-R205 HydrophobicContact CB-CB 4.33Å
67D88.1Confident89.3Confident23 Ų2336.9 Ų36.912%0.12318%0.18CC..Hα-helixtrans-86.1-37.9-173.6-66.70.5000112.5E63 L198 E202 R205E63-D67 WeakPolarHBondContact CG-OD2 3.49Å; E63-D67 PolarHBondContact O-N 2.92Å; D67-L198 WeakPolarHBondContact O-CD2 3.43Å; D67-E202 WeakPolarHBondContact OD1-CA 3.47Å; D67-E202 PolarHBondContact OD1-N 2.9Å; D67-R205 IonicContact OD1-CZ 3.17Å; D67-R205 IonicContact OD1-NE 3.14Å; D67-R205 PolarHBondContact OD1-NE 2.89Å; D67-R205 IonicContact OD1-NH2 2.79Å; D67-R205 IonicContact OD2-CZ 2.7Å; D67-R205 IonicContact OD2-NE 2.78Å; D67-R205 PolarHBondContact OD2-NE 3.1Å; D67-R205 IonicContact OD2-NH2 3.15Å; D67-R205 PolarHBondContact OD2-NH2 2.87Å
68E89.7Confident89Confident36 Ų3631.7 Ų31.717%0.16816%0.159CC..PPolyproline II helixtrans-99.1128.5-174.3-72.2-88.9171.400112.9F33 D64 R194 L198F33-E68 WeakPolarHBondContact CE2-O 3.38Å; F33-E68 HydrophobicContact CZ-CB 4.28Å; F33-E68 WeakPolarHBondContact CZ-O 3.13Å; D64-E68 WeakPolarHBondContact O-CB 3.27Å; D64-E68 PolarHBondContact O-N 2.78Å; E68-R194 IonicContact OE1-NH2 3.87Å; E68-R194 PolarHBondContact OE1-NH2 2.92Å; E68-R194 IonicContact OE2-CZ 2.76Å; E68-R194 IonicContact OE2-NE 3Å; E68-R194 IonicContact OE2-NH2 3.98Å; E68-R194 PolarHBondContact OE2-NH2 2.92Å; E68-L198 HydrophobicContact CB-CD2 4.31Å; E68-L198 HydrophobicContact CG-CD2 3.81Å; E68-L198 VanDerWaalsContact OE1-CD2 3.3Å; E68-L198 WeakPolarHBondContact OE1-CD2 3.32Å; E68-L198 WeakPolarHBondContact OE2-CD2 3.48Å
69P92.4Very high88.6Confident14 Ų1436.6 Ų36.69%0.09119%0.189CC..PPolyproline II helixtrans-77.3149.4170.932.5-35000111.3Q71 Y90P69-Q71 PolarHBondContact O-N 3.37Å; P69-Y90 HydrophobicContact CG-CD1 4.23Å
70L94.4Very high88.3Confident0 Ų040.4 Ų40.40%020%0.199CC..EExtended strand (participates in β ladder)trans-72.9116.9169.717869.7000110L5 A7 V31 F33 F58 I72 Y90 I91 I93 V126L5-L70 HydrophobicContact CD2-CD1 4.3Å; A7-L70 HydrophobicContact CB-CD2 4.14Å; V31-L70 HydrophobicContact CG1-CD1 3.85Å; F33-L70 HydrophobicContact CB-CD1 4.08Å; F33-L70 HydrophobicContact CD2-CB 3.97Å; F33-L70 HydrophobicContact CD2-CD1 4.01Å; F33-L70 HydrophobicContact CE2-CB 4.43Å; F58-L70 HydrophobicContact CE2-CD1 4.22Å; L70-I72 HydrophobicContact CD2-CD1 4.38Å; L70-I72 HydrophobicContact CG-CG1 4.39Å; L70-Y90 WeakPolarHBondContact O-CA 3.33Å; L70-I91 HydrophobicContact CB-CB 4.3Å; L70-I91 PolarHBondContact N-O 3.25Å; L70-I91 PolarHBondContact O-N 3.12Å; L70-I93 HydrophobicContact CB-CD1 3.97Å; L70-I93 HydrophobicContact CB-CG1 4.39Å; L70-V126 HydrophobicContact CD2-CB 4.41Å; L70-V126 HydrophobicContact CD2-CG1 3.92Å; L70-V126 HydrophobicContact CD2-CG2 3.56Å
71Q95.6Very high88.4Confident19 Ų1943.4 Ų43.49%0.08922%0.221CC..EExtended strand (participates in β ladder)trans-99.4126.3-179.8-176.3-172.1-19.800110.4K32 P69 T73 Y90K32-Q71 HydrophobicContact CB-CB 4.31Å; K32-Q71 PolarHBondContact N-O 2.82Å; K32-Q71 PolarHBondContact O-N 2.81Å; P69-Q71 PolarHBondContact O-N 3.37Å; Q71-T73 PolarHBondContact NE2-OG1 3.25Å; Q71-T73 VanDerWaalsContact NE2-OG1 3.08Å; Q71-Y90 HydrophobicContact CB-CD1 4.24Å; Q71-Y90 HydrophobicContact CB-CE1 4.14Å; Q71-Y90 HydrophobicContact CG-CD1 4.23Å; Q71-Y90 HydrophobicContact CG-CE1 3.78Å
72I96.8Very high88.6Confident0 Ų042.7 Ų42.70%023%0.228CC..EExtended strand (participates in β ladder)trans-120.2117.5174.8-57.5175.2000107.6I9 V29 E30 V31 L70 K88 V89 I91 I122 V124I9-I72 HydrophobicContact CD1-CD1 4.15Å; I9-I72 HydrophobicContact CD1-CG2 4.16Å; V29-I72 HydrophobicContact CG1-CG2 3.42Å; V29-I72 VanDerWaalsContact CG1-CG2 3.42Å; E30-I72 CarbonylContact O-C 3.57Å; E30-I72 WeakPolarHBondContact O-CA 3.41Å; V31-I72 HydrophobicContact CG1-CG1 4.47Å; L70-I72 HydrophobicContact CD2-CD1 4.38Å; L70-I72 HydrophobicContact CG-CG1 4.39Å; I72-K88 CarbonylContact O-C 3.58Å; I72-K88 VanDerWaalsContact O-CA 3.29Å; I72-K88 WeakPolarHBondContact O-CA 3.41Å; I72-V89 HydrophobicContact CB-CB 4.33Å; I72-V89 PolarHBondContact N-O 3.28Å; I72-V89 PolarHBondContact O-N 3.45Å; I72-I91 HydrophobicContact CD1-CD1 3.82Å; I72-I122 HydrophobicContact CG2-CD1 3.87Å; I72-V124 HydrophobicContact CD1-CB 4.18Å; I72-V124 HydrophobicContact CD1-CG1 3.57Å; I72-V124 HydrophobicContact CD1-CG2 3.62Å
73T96.4Very high89.2Confident10 Ų1044.2 Ų44.26%0.06124%0.237CC..EExtended strand (participates in β ladder)trans-113.1125.2-179.1-49.40000108.7V29 E30 Q71 L75 K88V29-T73 WeakPolarHBondContact CA-O 3.47Å; E30-T73 PolarHBondContact N-O 2.88Å; E30-T73 PolarHBondContact O-N 3.19Å; Q71-T73 PolarHBondContact NE2-OG1 3.25Å; Q71-T73 VanDerWaalsContact NE2-OG1 3.08Å; T73-L75 HydrophobicContact CG2-CD1 3.75Å; T73-L75 HydrophobicContact CG2-CG 4.05Å; T73-K88 HydrophobicContact CG2-CG 3.92Å
74V96.7Very high89.6Confident0 Ų044.6 Ų44.60%024%0.241CC..EExtended strand (participates in β ladder)trans-98.9126.1175.1-170.90000107.9V29 I86 G87 I111 I122V29-V74 HydrophobicContact CG2-CG1 4.47Å; V29-V74 HydrophobicContact CG2-CG2 4.29Å; V74-I86 HydrophobicContact CB-CB 4.42Å; V74-I86 HydrophobicContact CG1-CB 4.48Å; V74-I86 HydrophobicContact CG1-CD1 4.09Å; V74-I86 WeakPolarHBondContact O-CB 3.13Å; V74-I86 PolarHBondContact O-N 2.93Å; V74-G87 PolarHBondContact N-O 3.41Å; V74-G87 PolarHBondContact O-N 2.88Å; V74-I111 HydrophobicContact CB-CD1 4.35Å; V74-I111 HydrophobicContact CG2-CD1 3.81Å; V74-I111 HydrophobicContact CG2-CG1 4.13Å; V74-I111 HydrophobicContact CG2-CG2 4.48Å; V74-I122 HydrophobicContact CG2-CD1 3.81Å
75L95.4Very high89.9Confident21 Ų2142.8 Ų42.811%0.1124%0.235CC..EExtended strand (participates in β ladder)trans-125.1152.1-177.5-59.8101.4000110.5A27 F28 E30 T73 N83 D84A27-L75 WeakPolarHBondContact CA-O 3.47Å; F28-L75 HydrophobicContact CD1-CB 4.17Å; F28-L75 HydrophobicContact CE1-CB 3.59Å; F28-L75 HydrophobicContact CE2-CB 4.21Å; F28-L75 HydrophobicContact CE2-CD1 3.9Å; F28-L75 HydrophobicContact CZ-CB 3.61Å; F28-L75 HydrophobicContact CZ-CD1 4.03Å; F28-L75 HydrophobicContact CZ-CD2 4.25Å; F28-L75 HydrophobicContact CZ-CG 4.18Å; F28-L75 PolarHBondContact N-O 2.97Å; F28-L75 PolarHBondContact O-N 2.92Å; E30-L75 HydrophobicContact CB-CD1 3.94Å; T73-L75 HydrophobicContact CG2-CD1 3.75Å; T73-L75 HydrophobicContact CG2-CG 4.05Å; L75-N83 HydrophobicContact CD2-CB 4.18Å; L75-D84 WeakPolarHBondContact CA-O 3.39Å
76D94.1Very high90.4Very high1 Ų142.8 Ų42.81%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-93.8132.7168-168.943.2000109.9M18 T25 D26 N83 D84 I86M18-D76 HydrophobicContact CB-CB 4Å; M18-D76 WeakPolarHBondContact CB-OD2 3.46Å; M18-D76 HydrophobicContact CG-CB 4.07Å; T25-D76 HydrophobicContact CG2-CB 4.17Å; T25-D76 WeakPolarHBondContact CG2-OD1 3.44Å; D26-D76 WeakPolarHBondContact CA-OD1 3.08Å; D26-D76 PolarHBondContact N-OD1 3.08Å; D76-N83 VanDerWaalsContact O-CA 3.3Å; D76-N83 WeakPolarHBondContact O-CA 3.33Å; D76-N83 WeakPolarHBondContact O-CB 3.35Å; D76-D84 HydrophobicContact CB-CB 4.47Å; D76-D84 PolarHBondContact N-O 3.22Å; D76-D84 PolarHBondContact O-N 3.4Å; D76-I86 HydrophobicContact CB-CD1 4.49Å; D76-I86 HydrophobicContact CB-CG1 4.49Å
77H91.6Very high90.9Very high67 Ų6742.2 Ų42.231%0.3123%0.232SC..  trans-90.6113.6-176-177.747.8000112.1D26 F28 V42 N83D26-H77 HydrophobicContact CB-CB 4.29Å; D26-H77 WeakPolarHBondContact O-CB 3.4Å; D26-H77 PolarHBondContact O-N 2.84Å; F28-H77 HydrophobicContact CD1-CB 3.9Å; F28-H77 HydrophobicContact CE1-CB 4.03Å; V42-H77 HydrophobicContact CG1-CB 3.82Å; V42-H77 HydrophobicContact CG2-CB 4.09Å; H77-N83 WeakPolarHBondContact CA-OD1 3.35Å; H77-N83 PolarHBondContact ND1-OD1 3.18Å
78D88.3Confident91.2Very high32 Ų3242.7 Ų42.717%0.17123%0.233CC..  trans-99.6133.9174.6-84.8-23.6000112.1S81 N83D78-S81 WeakPolarHBondContact CB-OG 3.46Å; D78-S81 PolarHBondContact OD2-OG 2.99Å; D78-N83 PolarHBondContact N-OD1 2.97Å
79T82.9Confident91.5Very high105 Ų10541 Ų4164%0.64423%0.225SC*.SBendtrans-76.9-31.2179-56.10000112.9
80Y79.6Confident91.5Very high228 Ų22841.9 Ų41.989%0.89423%0.227SC*.SBendtrans-121.5-4.3-171.5-61.8-73000114.1
81S84.8Confident91.5Very high75 Ų7541.9 Ų41.952%0.52423%0.227SC..SBendtrans-127.8176.2179.131.70000111.6D78D78-S81 WeakPolarHBondContact CB-OG 3.46Å; D78-S81 PolarHBondContact OD2-OG 2.99Å
82A85.2Confident91.2Very high83 Ų8343.2 Ų43.269%0.68624%0.235SC*.PPolyproline II helixtrans-70142.2169.300000109.6D84A82-D84 PolarHBondContact O-N 3.07Å
83N88.7Confident90.8Very high62 Ų6243.3 Ų43.333%0.33224%0.235SC..PPolyproline II helixtrans-61.6132.2178.7-58.8-46.1000111.3F28 L75 D76 H77 D78F28-N83 HydrophobicContact CE1-CB 4.24Å; F28-N83 HydrophobicContact CZ-CB 4.33Å; L75-N83 HydrophobicContact CD2-CB 4.18Å; D76-N83 VanDerWaalsContact O-CA 3.3Å; D76-N83 WeakPolarHBondContact O-CA 3.33Å; D76-N83 WeakPolarHBondContact O-CB 3.35Å; H77-N83 WeakPolarHBondContact CA-OD1 3.35Å; H77-N83 PolarHBondContact ND1-OD1 3.18Å; D78-N83 PolarHBondContact N-OD1 2.97Å
84D88.6Confident90.2Very high84 Ų8443.9 Ų43.945%0.44924%0.238SC..EExtended strand (participates in β ladder)trans-85.9126.6178.9-84-22.3000111.3M18 L75 D76 A82 I86M18-D84 HydrophobicContact CE-CB 3.67Å; L75-D84 WeakPolarHBondContact CA-O 3.39Å; D76-D84 HydrophobicContact CB-CB 4.47Å; D76-D84 PolarHBondContact N-O 3.22Å; D76-D84 PolarHBondContact O-N 3.4Å; A82-D84 PolarHBondContact O-N 3.07Å; D84-I86 PolarHBondContact O-N 3.42Å
85A91.6Very high89.6Confident25 Ų2544.2 Ų44.221%0.20724%0.24CC..EExtended strand (participates in β ladder)trans-73.7125.8175.100000110.4R186A85-R186 VanDerWaalsContact O-CZ 3.24Å; A85-R186 PolarHBondContact O-NH1 2.99Å; A85-R186 PolarHBondContact O-NH2 2.96Å
86I93.8Very high89.1Confident2 Ų243.7 Ų43.71%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-79.7-44.3173.7-60.1-179.5000109.8P16 M18 T25 V74 D76 D84 I111 R119P16-I86 HydrophobicContact CG-CG2 3.67Å; M18-I86 HydrophobicContact CE-CG1 4.45Å; M18-I86 HydrophobicContact CG-CD1 4.13Å; M18-I86 HydrophobicContact CG-CG1 4.07Å; M18-I86 HydrophobicContact SD-CG1 4.24Å; T25-I86 HydrophobicContact CG2-CD1 3.59Å; V74-I86 HydrophobicContact CB-CB 4.42Å; V74-I86 HydrophobicContact CG1-CB 4.48Å; V74-I86 HydrophobicContact CG1-CD1 4.09Å; V74-I86 WeakPolarHBondContact O-CB 3.13Å; V74-I86 PolarHBondContact O-N 2.93Å; D76-I86 HydrophobicContact CB-CD1 4.49Å; D76-I86 HydrophobicContact CB-CG1 4.49Å; D84-I86 PolarHBondContact O-N 3.42Å; I86-I111 HydrophobicContact CG2-CG2 4.48Å; I86-R119 HydrophobicContact CG2-CB 3.96Å
87G94.2Very high88.4Confident0 Ų044 Ų440%024%0.239CC..EExtended strand (participates in β ladder)trans167.9-175.3174.700000112.6V74 Y112V74-G87 PolarHBondContact N-O 3.41Å; V74-G87 PolarHBondContact O-N 2.88Å; G87-Y112 CarbonylContact C-O 3.53Å; G87-Y112 WeakPolarHBondContact CA-O 3.5Å
88K94.8Very high87.3Confident33 Ų3342.1 Ų42.114%0.14323%0.233CC..EExtended strand (participates in β ladder)trans-128.5154.3-173.5-66.8177.7178.3177.80112I72 T73 Y90 Y112 E190I72-K88 CarbonylContact O-C 3.58Å; I72-K88 VanDerWaalsContact O-CA 3.29Å; I72-K88 WeakPolarHBondContact O-CA 3.41Å; T73-K88 HydrophobicContact CG2-CG 3.92Å; K88-Y90 HydrophobicContact CB-CE2 4.33Å; K88-Y112 PolarHBondContact N-O 3.24Å; K88-Y112 PolarHBondContact O-N 3.2Å; K88-E190 HydrophobicContact CD-CG 4.43Å; K88-E190 VanDerWaalsContact CE-OE2 3.29Å; K88-E190 WeakPolarHBondContact CE-OE2 3.34Å; K88-E190 VanDerWaalsContact NZ-CD 3.34Å; K88-E190 IonicContact NZ-OE1 3.18Å; K88-E190 IonicContact NZ-OE2 3.88Å; K88-E190 PolarHBondContact NZ-OE2 3.17Å
89V95.2Very high86.1Confident1 Ų145.6 Ų45.61%0.00627%0.266CS..EExtended strand (participates in β ladder)trans-127.4127.6168-176.60000107.6I72 I91 F109 P110 I111 I122I72-V89 HydrophobicContact CB-CB 4.33Å; I72-V89 PolarHBondContact N-O 3.28Å; I72-V89 PolarHBondContact O-N 3.45Å; V89-I91 HydrophobicContact CG1-CD1 4.43Å; V89-I91 HydrophobicContact CG1-CG1 3.93Å; V89-F109 HydrophobicContact CG1-CB 3.71Å; V89-F109 HydrophobicContact CG1-CD1 4.19Å; V89-F109 HydrophobicContact CG1-CG 4.05Å; V89-F109 HydrophobicContact CG2-CB 4.25Å; V89-P110 WeakPolarHBondContact CG2-O 3.19Å; V89-I111 HydrophobicContact CG2-CG1 4.34Å; V89-I122 HydrophobicContact CG2-CG2 3.73Å
90Y93.9Very high85Confident31 Ų3143.8 Ų43.812%0.12225%0.25CS..EExtended strand (participates in β ladder)trans-104.9122.7171.4-64.3-78000108.1P69 L70 Q71 K88 Q193 H956P69-Y90 HydrophobicContact CG-CD1 4.23Å; L70-Y90 WeakPolarHBondContact O-CA 3.33Å; Q71-Y90 HydrophobicContact CB-CD1 4.24Å; Q71-Y90 HydrophobicContact CB-CE1 4.14Å; Q71-Y90 HydrophobicContact CG-CD1 4.23Å; Q71-Y90 HydrophobicContact CG-CE1 3.78Å; K88-Y90 HydrophobicContact CB-CE2 4.33Å; Y90-Q193 HydrophobicContact CE2-CG 4.24Å; Y90-H956 PolarHBondContact O-NE2 3.46Å
91I92.8Very high84.2Confident1 Ų133.8 Ų33.81%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-113118.1177.4-58.2177.9000107.9L70 I72 V89 I93 I105 F109 V124 V126L70-I91 HydrophobicContact CB-CB 4.3Å; L70-I91 PolarHBondContact N-O 3.25Å; L70-I91 PolarHBondContact O-N 3.12Å; I72-I91 HydrophobicContact CD1-CD1 3.82Å; V89-I91 HydrophobicContact CG1-CD1 4.43Å; V89-I91 HydrophobicContact CG1-CG1 3.93Å; I91-I93 HydrophobicContact CG2-CD1 4.39Å; I91-I105 HydrophobicContact CG2-CD1 3.98Å; I91-I105 HydrophobicContact CG2-CG2 4.43Å; I91-F109 HydrophobicContact CD1-CD2 4.24Å; I91-F109 HydrophobicContact CD1-CE1 4.21Å; I91-F109 HydrophobicContact CD1-CE2 3.91Å; I91-F109 HydrophobicContact CD1-CZ 3.88Å; I91-F109 HydrophobicContact CG1-CD1 4.49Å; I91-F109 HydrophobicContact CG1-CE1 4.23Å; I91-F109 HydrophobicContact CG1-CZ 4.35Å; I91-V124 HydrophobicContact CD1-CB 4.43Å; I91-V124 HydrophobicContact CD1-CG1 4.17Å; I91-V126 HydrophobicContact CD1-CG2 4.17Å
92D89.2Confident83.2Confident47 Ų4731.6 Ų31.625%0.25120%0.201SC..  trans-72.7132.9171.2-174.56.4000110.3D94D92-D94 WeakPolarHBondContact OD1-CB 3.1Å; D92-D94 PolarHBondContact OD1-N 3.11Å
93I89.3Confident82.8Confident1 Ų130.8 Ų30.81%0.00519%0.19CC..  trans-94.8-20.5-177.5-55.6-55.1000111.3L5 F33 L65 L70 I91 P95 L96 L97 V126 V128L5-I93 HydrophobicContact CD1-CD1 3.9Å; L5-I93 HydrophobicContact CD1-CG1 4.4Å; L5-I93 HydrophobicContact CD1-CG2 4.37Å; F33-I93 HydrophobicContact CE2-CG1 3.94Å; L65-I93 HydrophobicContact CD1-CG2 3.81Å; L65-I93 HydrophobicContact CG-CG2 4.32Å; L70-I93 HydrophobicContact CB-CD1 3.97Å; L70-I93 HydrophobicContact CB-CG1 4.39Å; I91-I93 HydrophobicContact CG2-CD1 4.39Å; I93-P95 VanDerWaalsContact C-CD 3.46Å; I93-P95 VanDerWaalsContact C-N 3.35Å; I93-L96 WeakPolarHBondContact O-CA 3.45Å; I93-L96 VanDerWaalsContact O-CB 3.31Å; I93-L96 WeakPolarHBondContact O-CB 3.32Å; I93-L96 PolarHBondContact O-N 3.03Å; I93-L97 HydrophobicContact CG2-CD2 4.19Å; I93-V126 HydrophobicContact CD1-CG1 4.12Å; I93-V128 HydrophobicContact CG2-CG2 3.59Å
94D84.4Confident82.7Confident22 Ų2230.3 Ų30.312%0.11819%0.19CC..G310 helixtrans-51.8-42.7-176.8-82.7-23.2000114.2Q66 D92 L96 L97Q66-D94 WeakPolarHBondContact CA-OD1 3.27Å; D92-D94 WeakPolarHBondContact OD1-CB 3.1Å; D92-D94 PolarHBondContact OD1-N 3.11Å; D94-L96 PolarHBondContact O-N 3.32Å; D94-L97 WeakPolarHBondContact O-CB 3.3Å; D94-L97 PolarHBondContact O-N 3.49Å; D94-L97 WeakPolarHBondContact OD1-CD1 3.41Å
95P83.8Confident82.8Confident8 Ų826.5 Ų26.55%0.05217%0.169CC..G310 helixtrans-56.7-24.7175.8-27.736.6000113.9I93 A101 L960I93-P95 VanDerWaalsContact C-CD 3.46Å; I93-P95 VanDerWaalsContact C-N 3.35Å; P95-A101 WeakPolarHBondContact O-CB 3.48Å; P95-L960 HydrophobicContact CB-CD1 4.26Å; P95-L960 HydrophobicContact CB-CD2 3.95Å; P95-L960 HydrophobicContact CG-CD1 4.46Å
96L83.6Confident82.9Confident9 Ų928.3 Ų28.35%0.04718%0.18CC..G310 helixtrans-86.5-10.7-179.2-49.1179.1000113.1I93 D94 A102 I105 V128 L960I93-L96 WeakPolarHBondContact O-CA 3.45Å; I93-L96 VanDerWaalsContact O-CB 3.31Å; I93-L96 WeakPolarHBondContact O-CB 3.32Å; I93-L96 PolarHBondContact O-N 3.03Å; D94-L96 PolarHBondContact O-N 3.32Å; L96-A102 WeakPolarHBondContact CD2-O 2.97Å; L96-I105 HydrophobicContact CD1-CB 4.37Å; L96-I105 HydrophobicContact CD1-CG2 3.84Å; L96-I105 HydrophobicContact CD2-CB 4.09Å; L96-I105 HydrophobicContact CD2-CG2 4.45Å; L96-V128 HydrophobicContact CB-CB 4.37Å; L96-V128 HydrophobicContact CB-CG2 3.87Å; L96-V128 HydrophobicContact CD1-CG2 3.77Å; L96-V128 HydrophobicContact CG-CG2 4.48Å; L96-L960 HydrophobicContact CD2-CD2 4.05Å
97L79.7Confident82.9Confident8 Ų829 Ų294%0.04219%0.188CC..SBendtrans-86-11.7-175.9-54.2-176.7000113.3L65 Q66 I93 D94 V128 L130L65-L97 HydrophobicContact CD2-CD1 4.4Å; L65-L97 HydrophobicContact CD2-CD2 3.41Å; L65-L97 VanDerWaalsContact CD2-CD2 3.41Å; L65-L97 HydrophobicContact CG-CD1 4.19Å; L65-L97 HydrophobicContact CG-CD2 3.78Å; Q66-L97 HydrophobicContact CG-CD1 3.72Å; I93-L97 HydrophobicContact CG2-CD2 4.19Å; D94-L97 WeakPolarHBondContact O-CB 3.3Å; D94-L97 PolarHBondContact O-N 3.49Å; D94-L97 WeakPolarHBondContact OD1-CD1 3.41Å; L97-V128 HydrophobicContact CD2-CG1 4.03Å; L97-L130 HydrophobicContact CB-CD1 4.47Å; L97-L130 HydrophobicContact CD2-CD1 4.11Å; L97-L130 HydrophobicContact CD2-CD2 4.19Å; L97-L130 HydrophobicContact CD2-CG 4.45Å
98C70.1Confident83Confident28 Ų2832.6 Ų32.619%0.18920%0.202CC..SBendtrans-79.7130.6176.4-178.50000111E100 A101C98-E100 PolarHBondContact O-N 2.87Å; C98-A101 HydrophobicContact CB-CB 3.93Å; C98-A101 WeakPolarHBondContact O-CB 3.37Å; C98-A101 PolarHBondContact O-N 3.43Å
99A61.5Low83.1Confident104 Ų10431 Ų3186%0.8620%0.195SC*.THydrogen-bonded Turntrans-58.5-24.9-177.200000114.3
100E61Low83.1Confident68 Ų6831.2 Ų31.232%0.31820%0.196SC..THydrogen-bonded Turntrans-88.6-14.9175-75.4-176-12100113.2C98 K145 K247 K916C98-E100 PolarHBondContact O-N 2.87Å; E100-K145 IonicContact OE1-NZ 2.78Å; E100-K145 PolarHBondContact OE1-NZ 3.03Å; E100-K145 IonicContact OE2-NZ 3.26Å; E100-K247 IonicContact OE2-NZ 2.7Å; E100-K247 PolarHBondContact OE2-NZ 3.4Å; E100-K916 WeakPolarHBondContact O-CE 3.39Å; E100-K916 PolarHBondContact O-NZ 3.34Å
101A61.6Low83.2Confident17 Ų1729.7 Ų29.714%0.1419%0.19CC..SBendtrans-76.3172.8-172.400000113.7P95 C98 S103P95-A101 WeakPolarHBondContact O-CB 3.48Å; C98-A101 HydrophobicContact CB-CB 3.93Å; C98-A101 WeakPolarHBondContact O-CB 3.37Å; C98-A101 PolarHBondContact O-N 3.43Å; A101-S103 PolarHBondContact O-N 2.93Å
102A64.9Low83.4Confident30 Ų3030 Ų3025%0.24819%0.191CC..  trans-68.4124171.200000107.9L96 V104L96-A102 WeakPolarHBondContact CD2-O 2.97Å; A102-V104 WeakPolarHBondContact CB-O 3.29Å; A102-V104 PolarHBondContact O-N 2.89Å; A102-V104 VanDerWaalsContact O-N 3.11Å
103S76Confident83.6Confident65 Ų6527.9 Ų27.946%0.45518%0.18SC..SBendtrans-72.71.8175.265.20000113A101 K127 V128A101-S103 PolarHBondContact O-N 2.93Å; S103-K127 WeakPolarHBondContact O-CA 3.46Å; S103-V128 PolarHBondContact O-N 2.73Å
104V87.3Confident83.7Confident53 Ų5327.9 Ų27.932%0.32118%0.18SC..EExtended strand (participates in β ladder)trans-141.9131.5-174.1-178.80000108.3A102 L125 V126 K127A102-V104 WeakPolarHBondContact CB-O 3.29Å; A102-V104 PolarHBondContact O-N 2.89Å; A102-V104 VanDerWaalsContact O-N 3.11Å; V104-L125 HydrophobicContact CG1-CD1 3.44Å; V104-L125 VanDerWaalsContact CG1-CD1 3.44Å; V104-L125 HydrophobicContact CG1-CG 4.42Å; V104-V126 CarbonylContact C-O 3.44Å; V104-V126 VanDerWaalsContact CA-O 3.27Å; V104-V126 WeakPolarHBondContact CA-O 3.46Å; V104-K127 HydrophobicContact CG2-CB 4.18Å; V104-K127 HydrophobicContact CG2-CD 4.35Å; V104-K127 HydrophobicContact CG2-CG 3.95Å
105I91.2Very high84.1Confident4 Ų429.2 Ų29.22%0.02119%0.186CC..EExtended strand (participates in β ladder)trans-109.7132.4166.7-172.8179000107.9I91 L96 F109 V126 A959 L960I91-I105 HydrophobicContact CG2-CD1 3.98Å; I91-I105 HydrophobicContact CG2-CG2 4.43Å; L96-I105 HydrophobicContact CD1-CB 4.37Å; L96-I105 HydrophobicContact CD1-CG2 3.84Å; L96-I105 HydrophobicContact CD2-CB 4.09Å; L96-I105 HydrophobicContact CD2-CG2 4.45Å; I105-F109 HydrophobicContact CD1-CE1 4.15Å; I105-F109 HydrophobicContact CD1-CZ 3.69Å; I105-F109 HydrophobicContact CG1-CZ 3.99Å; I105-V126 HydrophobicContact CG2-CB 3.5Å; I105-V126 HydrophobicContact CG2-CG1 4.45Å; I105-V126 HydrophobicContact CG2-CG2 4.01Å; I105-V126 PolarHBondContact N-O 2.81Å; I105-V126 PolarHBondContact O-N 2.83Å; I105-A959 HydrophobicContact CD1-CB 4.16Å; I105-A959 VanDerWaalsContact CG1-C 3.49Å; I105-A959 HydrophobicContact CG1-CB 3.76Å; I105-A959 WeakPolarHBondContact CG1-O 3.28Å; I105-L960 HydrophobicContact CB-CD2 4.2Å; I105-L960 HydrophobicContact CD1-CD2 3.69Å; I105-L960 HydrophobicContact CD1-CG 3.94Å; I105-L960 HydrophobicContact CG1-CD2 3.91Å; I105-L960 HydrophobicContact CG1-CG 4.24Å
106S93.3Very high84.4Confident62 Ų6233.9 Ų33.943%0.43421%0.207SC..EExtended strand (participates in β ladder)trans-148.4125.6-177.3-1700000111.1V124 L125 A959S106-V124 WeakPolarHBondContact CA-O 3.39Å; S106-L125 VanDerWaalsContact CB-CD1 3.45Å; S106-L125 WeakPolarHBondContact OG-CD1 3.47Å; S106-A959 PolarHBondContact N-O 3.39Å; S106-A959 VanDerWaalsContact O-CA 3.3Å; S106-A959 WeakPolarHBondContact O-CA 3.49Å
107G93.8Very high84.9Confident17 Ų1733.5 Ų33.518%0.17521%0.205CC..EExtended strand (participates in β ladder)trans170.9-177.6176.300000113.5F109 N123 V124G107-F109 WeakPolarHBondContact O-CD2 3.19Å; G107-N123 WeakPolarHBondContact O-CA 3.42Å; G107-N123 PolarHBondContact O-OD1 2.72Å; G107-V124 PolarHBondContact N-O 2.83Å; G107-V124 PolarHBondContact O-N 3.45Å; G107-V124 VanDerWaalsContact O-N 3.08Å
108W95.6Very high85.6Confident76 Ų7635.8 Ų35.829%0.28822%0.217SC..EExtended strand (participates in β ladder)trans-85.3125.2171.2-7093.7000109.6A11 R13 E121 I122 N123A11-W108 HydrophobicContact CB-CH2 3.98Å; R13-W108 HydrophobicContact CB-CH2 3.99Å; R13-W108 HydrophobicContact CB-CZ3 3.85Å; R13-W108 HydrophobicContact CG-CE3 3.78Å; R13-W108 HydrophobicContact CG-CH2 3.84Å; R13-W108 HydrophobicContact CG-CZ3 3.4Å; W108-E121 HydrophobicContact CE3-CB 3.88Å; W108-I122 CarbonylContact C-O 3.58Å; W108-I122 WeakPolarHBondContact CA-O 3.44Å; W108-N123 HydrophobicContact CD2-CB 3.79Å; W108-N123 HydrophobicContact CE3-CB 3.76Å; W108-N123 HydrophobicContact CG-CB 4.47Å; W108-N123 HydrophobicContact CH2-CB 3.89Å; W108-N123 HydrophobicContact CZ2-CB 3.92Å; W108-N123 HydrophobicContact CZ3-CB 3.8Å
109F96.2Very high86.8Confident0 Ų037.7 Ų37.70%022%0.22CC..EExtended strand (participates in β ladder)trans-111.2130175.9-65.1-89.5000110V89 I91 I105 G107 I111 E121 I122 V124 H956 A959V89-F109 HydrophobicContact CG1-CB 3.71Å; V89-F109 HydrophobicContact CG1-CD1 4.19Å; V89-F109 HydrophobicContact CG1-CG 4.05Å; V89-F109 HydrophobicContact CG2-CB 4.25Å; I91-F109 HydrophobicContact CD1-CD2 4.24Å; I91-F109 HydrophobicContact CD1-CE1 4.21Å; I91-F109 HydrophobicContact CD1-CE2 3.91Å; I91-F109 HydrophobicContact CD1-CZ 3.88Å; I91-F109 HydrophobicContact CG1-CD1 4.49Å; I91-F109 HydrophobicContact CG1-CE1 4.23Å; I91-F109 HydrophobicContact CG1-CZ 4.35Å; I105-F109 HydrophobicContact CD1-CE1 4.15Å; I105-F109 HydrophobicContact CD1-CZ 3.69Å; I105-F109 HydrophobicContact CG1-CZ 3.99Å; G107-F109 WeakPolarHBondContact O-CD2 3.19Å; F109-I111 PolarHBondContact O-N 2.92Å; F109-E121 CarbonylContact O-C 3.51Å; F109-E121 WeakPolarHBondContact O-CA 3.34Å; F109-I122 HydrophobicContact CB-CG2 4.22Å; F109-I122 PolarHBondContact N-O 2.97Å; F109-I122 PolarHBondContact O-N 3.28Å; F109-V124 HydrophobicContact CD2-CB 4.09Å; F109-V124 HydrophobicContact CD2-CG2 4.22Å; F109-V124 HydrophobicContact CE2-CB 4.08Å; F109-H956 AromaticContact CD1-CD2 3.75Å; F109-H956 AromaticContact CD1-CE1 3.98Å; F109-H956 AromaticContact CD1-NE2 3.68Å; F109-H956 HydrophobicContact CE1-CB 4.49Å; F109-H956 AromaticContact CE1-CD2 3.57Å; F109-H956 AromaticContact CE1-CG 3.98Å; F109-H956 AromaticContact CE1-NE2 3.96Å; F109-A959 HydrophobicContact CE1-CB 3.73Å; F109-A959 HydrophobicContact CE2-CB 3.89Å; F109-A959 HydrophobicContact CZ-CB 3.28Å
110P96.5Very high88.4Confident4 Ų433.3 Ų33.33%0.02619%0.185CC..EExtended strand (participates in β ladder)trans-60.4128.8170.1-23.533.6000110.8V89 I118 M952 A955V89-P110 WeakPolarHBondContact CG2-O 3.19Å; P110-I118 HydrophobicContact CB-CD1 4.14Å; P110-I118 HydrophobicContact CB-CG1 4.19Å; P110-I118 HydrophobicContact CB-CG2 3.88Å; P110-M952 HydrophobicContact CB-CG 4.27Å; P110-M952 HydrophobicContact CG-CG 4.42Å; P110-A955 HydrophobicContact CG-CB 3.87Å
111I96.6Very high90.1Very high0 Ų032.5 Ų32.50%018%0.181CC..EExtended strand (participates in β ladder)trans-77.8122.5172.3-60.5162.9000106.6L15 V74 I86 V89 F109 I118 R119 G120 I122L15-I111 HydrophobicContact CD2-CD1 3.37Å; V74-I111 HydrophobicContact CB-CD1 4.35Å; V74-I111 HydrophobicContact CG2-CD1 3.81Å; V74-I111 HydrophobicContact CG2-CG1 4.13Å; V74-I111 HydrophobicContact CG2-CG2 4.48Å; I86-I111 HydrophobicContact CG2-CG2 4.48Å; V89-I111 HydrophobicContact CG2-CG1 4.34Å; F109-I111 PolarHBondContact O-N 2.92Å; I111-I118 CarbonylContact O-C 3.59Å; I111-I118 WeakPolarHBondContact O-CA 3.35Å; I111-R119 PolarHBondContact O-N 2.98Å; I111-G120 PolarHBondContact N-O 3.18Å; I111-I122 HydrophobicContact CD1-CB 4.22Å; I111-I122 HydrophobicContact CG1-CB 4.12Å; I111-I122 HydrophobicContact CG1-CG2 3.98Å
112Y95.5Very high91.8Very high8 Ų831.7 Ų31.73%0.03118%0.175CC..EExtended strand (participates in β ladder)trans-110.8136.1-174.7-174.8-102.4000111.8G87 K88 T114 I118 I926 R927 F945 M952G87-Y112 CarbonylContact C-O 3.53Å; G87-Y112 WeakPolarHBondContact CA-O 3.5Å; K88-Y112 PolarHBondContact N-O 3.24Å; K88-Y112 PolarHBondContact O-N 3.2Å; Y112-T114 HydrophobicContact CE1-CG2 4.39Å; Y112-I118 HydrophobicContact CD2-CG1 4.39Å; Y112-I926 WeakPolarHBondContact CE1-O 3.2Å; Y112-I926 PolarHBondContact OH-O 3.16Å; Y112-R927 VanDerWaalsContact OH-CD 3.27Å; Y112-R927 WeakPolarHBondContact OH-CD 3.4Å; Y112-F945 VanDerWaalsContact OH-CE2 3.28Å; Y112-F945 WeakPolarHBondContact OH-CE2 3.26Å; Y112-M952 VanDerWaalsContact CB-CE 3.48Å; Y112-M952 HydrophobicContact CD2-CE 4.23Å; Y112-M952 HydrophobicContact CD2-SD 3.49Å; Y112-M952 WeakPolarHBondContact CD2-SD 3.44Å; Y112-M952 HydrophobicContact CE2-SD 4.15Å; Y112-M952 HydrophobicContact CG-CE 3.88Å; Y112-M952 HydrophobicContact CG-SD 3.75Å
113D93.9Very high93.3Very high1 Ų131.6 Ų31.61%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-122.4135.3173-178.344.8000110.2I115 H116 G117 R119 R186D113-I115 PolarHBondContact O-N 3.29Å; D113-I115 PolarHBondContact OD2-N 3.39Å; D113-H116 HydrophobicContact CB-CB 4.44Å; D113-H116 IonicContact OD2-CE1 2.63Å; D113-H116 IonicContact OD2-CG 3.33Å; D113-H116 PolarHBondContact OD2-N 3.48Å; D113-H116 IonicContact OD2-ND1 3.8Å; D113-H116 PolarHBondContact OD2-ND1 3.45Å; D113-G117 PolarHBondContact N-O 3.39Å; D113-G117 VanDerWaalsContact O-CA 3.3Å; D113-G117 WeakPolarHBondContact O-CA 3.43Å; D113-G117 PolarHBondContact O-N 2.96Å; D113-R119 HydrophobicContact CB-CG 4.02Å; D113-R186 IonicContact OD1-CZ 2.97Å; D113-R186 IonicContact OD1-NE 3.25Å; D113-R186 PolarHBondContact OD1-NE 3.36Å; D113-R186 IonicContact OD1-NH2 3.99Å; D113-R186 PolarHBondContact OD1-NH2 3.4Å
114T92.4Very high94.3Very high1 Ų128.5 Ų28.51%0.00615%0.148CC..THydrogen-bonded Turntrans-66.4-21.8-176.656.70000112.4Y112 N189 E190 R927 E928Y112-T114 HydrophobicContact CE1-CG2 4.39Å; T114-N189 HydrophobicContact CG2-CB 3.9Å; T114-E190 HydrophobicContact CG2-CG 4.19Å; T114-R927 CarbonylContact O-C 3.54Å; T114-R927 WeakPolarHBondContact O-CA 3.36Å; T114-R927 PolarHBondContact O-NH1 3.24Å; T114-E928 PolarHBondContact O-N 3.19Å
115I90.9Very high94.6Very high50 Ų5027.8 Ų27.826%0.25614%0.142SC..THydrogen-bonded Turntrans-103.7-30.6-178.1-60.7-179.8000114D113 R186 R927 E928D113-I115 PolarHBondContact O-N 3.29Å; D113-I115 PolarHBondContact OD2-N 3.39Å; I115-R186 HydrophobicContact CD1-CB 3.71Å; I115-R186 HydrophobicContact CD1-CG 4.19Å; I115-R186 HydrophobicContact CG1-CB 4.38Å; I115-R927 PolarHBondContact O-NH1 2.84Å; I115-R927 PolarHBondContact O-NH2 3.21Å; I115-E928 WeakPolarHBondContact CA-O 3.4Å
116H91.1Very high94.8Very high107 Ų10727.6 Ų27.650%0.49514%0.141SC..THydrogen-bonded Turntrans-114.3-1.3-178.6-56.290.5000114.5D113 R119D113-H116 HydrophobicContact CB-CB 4.44Å; D113-H116 IonicContact OD2-CE1 2.63Å; D113-H116 IonicContact OD2-CG 3.33Å; D113-H116 PolarHBondContact OD2-N 3.48Å; D113-H116 IonicContact OD2-ND1 3.8Å; D113-H116 PolarHBondContact OD2-ND1 3.45Å; H116-R119 HydrophobicContact CB-CG 4.17Å
117G92.9Very high94.7Very high0 Ų027.8 Ų27.80%013%0.134CC..EExtended strand (participates in β ladder)trans73.9-139.2-17800000111.9D113 R119 E948D113-G117 PolarHBondContact N-O 3.39Å; D113-G117 VanDerWaalsContact O-CA 3.3Å; D113-G117 WeakPolarHBondContact O-CA 3.43Å; D113-G117 PolarHBondContact O-N 2.96Å; G117-R119 PolarHBondContact O-N 3.02Å; G117-E948 VanDerWaalsContact CA-OE2 3.24Å; G117-E948 WeakPolarHBondContact CA-OE2 3.19Å
118I95Very high94.4Very high57 Ų5727.4 Ų27.429%0.29213%0.129SC..EExtended strand (participates in β ladder)trans-74125.8-178.6-63.5173.2000111.3P110 I111 Y112 E948 A951 M952P110-I118 HydrophobicContact CB-CD1 4.14Å; P110-I118 HydrophobicContact CB-CG1 4.19Å; P110-I118 HydrophobicContact CB-CG2 3.88Å; I111-I118 CarbonylContact O-C 3.59Å; I111-I118 WeakPolarHBondContact O-CA 3.35Å; Y112-I118 HydrophobicContact CD2-CG1 4.39Å; I118-E948 HydrophobicContact CD1-CB 3.91Å; I118-E948 HydrophobicContact CD1-CG 4.04Å; I118-E948 HydrophobicContact CG1-CB 4.2Å; I118-E948 HydrophobicContact CG1-CG 4.17Å; I118-A951 HydrophobicContact CD1-CB 3.93Å; I118-M952 HydrophobicContact CD1-CG 4.33Å
119R94.9Very high93.8Very high68 Ų6826.4 Ų26.426%0.25713%0.127SC..EExtended strand (participates in β ladder)trans-122.554.6-174.4-63.1-69.8-82.1179.1-0.4112.4P16 I86 I111 D113 H116 G117P16-R119 HydrophobicContact CG-CB 4.38Å; P16-R119 VanDerWaalsContact CG-NH2 3.35Å; I86-R119 HydrophobicContact CG2-CB 3.96Å; I111-R119 PolarHBondContact O-N 2.98Å; D113-R119 HydrophobicContact CB-CG 4.02Å; H116-R119 HydrophobicContact CB-CG 4.17Å; G117-R119 PolarHBondContact O-N 3.02Å
120G95.1Very high92.8Very high11 Ų1129.7 Ų29.711%0.11315%0.145CC..EExtended strand (participates in β ladder)trans88-164.9-176.400000112.4R13 H14 I111R13-G120 WeakPolarHBondContact O-CA 3.24Å; H14-G120 WeakPolarHBondContact O-CA 3.12Å; I111-G120 PolarHBondContact N-O 3.18Å
121E96.5Very high91.5Very high52 Ų5235.4 Ų35.424%0.24317%0.169CC..EExtended strand (participates in β ladder)trans-139.5150.8-175.6-60.3176.7167.600111.8G12 R13 W108 F109G12-E121 CarbonylContact C-O 3.52Å; G12-E121 WeakPolarHBondContact CA-O 3.29Å; R13-E121 HydrophobicContact CG-CB 4.07Å; R13-E121 IonicContact CZ-OE2 2.61Å; R13-E121 PolarHBondContact N-O 3.45Å; R13-E121 IonicContact NE-OE2 2.91Å; R13-E121 PolarHBondContact NE-OE2 2.96Å; R13-E121 IonicContact NH2-OE2 3.48Å; R13-E121 PolarHBondContact NH2-OE2 3Å; R13-E121 PolarHBondContact O-N 2.78Å; W108-E121 HydrophobicContact CE3-CB 3.88Å; F109-E121 CarbonylContact O-C 3.51Å; F109-E121 WeakPolarHBondContact O-CA 3.34Å
122I97.2Very high89.5Confident0 Ų042.4 Ų42.40%021%0.207CC..EExtended strand (participates in β ladder)trans-124.1133.5177-171.8163.9000110.7I9 V29 W51 I72 V74 V89 W108 F109 I111 V124I9-I122 HydrophobicContact CD1-CD1 4.49Å; I9-I122 HydrophobicContact CG2-CD1 4.05Å; I9-I122 HydrophobicContact CG2-CG1 4.46Å; V29-I122 HydrophobicContact CG1-CD1 3.96Å; V29-I122 HydrophobicContact CG2-CD1 3.81Å; W51-I122 HydrophobicContact CZ3-CD1 4.36Å; I72-I122 HydrophobicContact CG2-CD1 3.87Å; V74-I122 HydrophobicContact CG2-CD1 3.81Å; V89-I122 HydrophobicContact CG2-CG2 3.73Å; W108-I122 CarbonylContact C-O 3.58Å; W108-I122 WeakPolarHBondContact CA-O 3.44Å; F109-I122 HydrophobicContact CB-CG2 4.22Å; F109-I122 PolarHBondContact N-O 2.97Å; F109-I122 PolarHBondContact O-N 3.28Å; I111-I122 HydrophobicContact CD1-CB 4.22Å; I111-I122 HydrophobicContact CG1-CB 4.12Å; I111-I122 HydrophobicContact CG1-CG2 3.98Å; I122-V124 HydrophobicContact CB-CG2 4.49Å; I122-V124 HydrophobicContact CD1-CG2 4.42Å; I122-V124 HydrophobicContact CG1-CG2 3.93Å; I122-V124 HydrophobicContact CG2-CG2 4.02Å
123N97.1Very high87.3Confident28 Ų2847.3 Ų47.315%0.1523%0.233CC..EExtended strand (participates in β ladder)trans-93117.9175.7-172.9-5.6000110V10 A11 G107 W108V10-N123 HydrophobicContact CB-CB 4.07Å; V10-N123 PolarHBondContact N-O 2.9Å; A11-N123 PolarHBondContact O-N 3.25Å; G107-N123 WeakPolarHBondContact O-CA 3.42Å; G107-N123 PolarHBondContact O-OD1 2.72Å; W108-N123 HydrophobicContact CD2-CB 3.79Å; W108-N123 HydrophobicContact CE3-CB 3.76Å; W108-N123 HydrophobicContact CG-CB 4.47Å; W108-N123 HydrophobicContact CH2-CB 3.89Å; W108-N123 HydrophobicContact CZ2-CB 3.92Å; W108-N123 HydrophobicContact CZ3-CB 3.8Å
124V96.3Very high85.2Confident0 Ų055.5 Ų55.50%028%0.276CS..EExtended strand (participates in β ladder)trans-127.8143.2-173.8-174.20000109.4I9 I72 I91 S106 G107 F109 I122 V126I9-V124 HydrophobicContact CD1-CG1 4.18Å; I9-V124 HydrophobicContact CD1-CG2 4.07Å; I72-V124 HydrophobicContact CD1-CB 4.18Å; I72-V124 HydrophobicContact CD1-CG1 3.57Å; I72-V124 HydrophobicContact CD1-CG2 3.62Å; I91-V124 HydrophobicContact CD1-CB 4.43Å; I91-V124 HydrophobicContact CD1-CG1 4.17Å; S106-V124 WeakPolarHBondContact CA-O 3.39Å; G107-V124 PolarHBondContact N-O 2.83Å; G107-V124 PolarHBondContact O-N 3.45Å; G107-V124 VanDerWaalsContact O-N 3.08Å; F109-V124 HydrophobicContact CD2-CB 4.09Å; F109-V124 HydrophobicContact CD2-CG2 4.22Å; F109-V124 HydrophobicContact CE2-CB 4.08Å; I122-V124 HydrophobicContact CB-CG2 4.49Å; I122-V124 HydrophobicContact CD1-CG2 4.42Å; I122-V124 HydrophobicContact CG1-CG2 3.93Å; I122-V124 HydrophobicContact CG2-CG2 4.02Å; V124-V126 HydrophobicContact CG1-CG2 3.64Å
125L95.5Very high83.2Confident38 Ų3859.4 Ų59.420%0.19930%0.297CS..EExtended strand (participates in β ladder)trans-120.8118.9170.6-178.570.5000108.6A7 K8 W55 V104 S106A7-L125 CarbonylContact C-O 3.57Å; A7-L125 WeakPolarHBondContact CA-O 3.37Å; K8-L125 HydrophobicContact CB-CB 4.3Å; K8-L125 PolarHBondContact N-O 2.92Å; K8-L125 PolarHBondContact O-N 3.4Å; W55-L125 HydrophobicContact CH2-CB 4.44Å; W55-L125 HydrophobicContact CH2-CD2 3.29Å; W55-L125 HydrophobicContact CH2-CG 3.52Å; W55-L125 HydrophobicContact CZ2-CD2 3.43Å; W55-L125 VanDerWaalsContact CZ2-CD2 3.43Å; W55-L125 HydrophobicContact CZ2-CG 4.2Å; W55-L125 HydrophobicContact CZ3-CD2 4.23Å; W55-L125 HydrophobicContact CZ3-CG 4.16Å; V104-L125 HydrophobicContact CG1-CD1 3.44Å; V104-L125 VanDerWaalsContact CG1-CD1 3.44Å; V104-L125 HydrophobicContact CG1-CG 4.42Å; S106-L125 VanDerWaalsContact CB-CD1 3.45Å; S106-L125 WeakPolarHBondContact OG-CD1 3.47Å
126V94.6Very high81Confident0 Ų068.3 Ų68.30%033%0.327CS..EExtended strand (participates in β ladder)trans-122.1136.5177.8-169.90000109.1L5 K6 A7 L70 I91 I93 V104 I105 V124L5-V126 HydrophobicContact CD1-CG1 3.45Å; L5-V126 VanDerWaalsContact CD1-CG1 3.45Å; L5-V126 HydrophobicContact CG-CG1 4.47Å; K6-V126 CarbonylContact O-C 3.53Å; K6-V126 VanDerWaalsContact O-CA 3.31Å; K6-V126 WeakPolarHBondContact O-CA 3.46Å; A7-V126 HydrophobicContact CB-CG2 4.45Å; L70-V126 HydrophobicContact CD2-CB 4.41Å; L70-V126 HydrophobicContact CD2-CG1 3.92Å; L70-V126 HydrophobicContact CD2-CG2 3.56Å; I91-V126 HydrophobicContact CD1-CG2 4.17Å; I93-V126 HydrophobicContact CD1-CG1 4.12Å; V104-V126 CarbonylContact C-O 3.44Å; V104-V126 VanDerWaalsContact CA-O 3.27Å; V104-V126 WeakPolarHBondContact CA-O 3.46Å; I105-V126 HydrophobicContact CG2-CB 3.5Å; I105-V126 HydrophobicContact CG2-CG1 4.45Å; I105-V126 HydrophobicContact CG2-CG2 4.01Å; I105-V126 PolarHBondContact N-O 2.81Å; I105-V126 PolarHBondContact O-N 2.83Å; V124-V126 HydrophobicContact CG1-CG2 3.64Å
127K91.1Very high79.2Confident65 Ų6571.6 Ų71.628%0.28334%0.341SS..EExtended strand (participates in β ladder)trans-132.9135.1-179.2179.4-179-173.8-161.40109.5K6 W55 S103 V104 E129K6-K127 PolarHBondContact N-O 3.13Å; K6-K127 PolarHBondContact O-N 3.04Å; W55-K127 HydrophobicContact CH2-CB 4.03Å; W55-K127 HydrophobicContact CZ3-CB 4.04Å; S103-K127 WeakPolarHBondContact O-CA 3.46Å; V104-K127 HydrophobicContact CG2-CB 4.18Å; V104-K127 HydrophobicContact CG2-CD 4.35Å; V104-K127 HydrophobicContact CG2-CG 3.95Å; K127-E129 HydrophobicContact CD-CG 4.48Å; K127-E129 VanDerWaalsContact CE-OE1 3.27Å; K127-E129 WeakPolarHBondContact CE-OE1 3.29Å; K127-E129 IonicContact NZ-OE1 2.72Å; K127-E129 PolarHBondContact NZ-OE1 3.44Å
128V87.7Confident77.7Confident9 Ų976.4 Ų76.46%0.05536%0.359CS..EExtended strand (participates in β ladder)trans-109.6132.8171.7-174.40000109.4L5 L65 I93 L96 L97 S103 L130L5-V128 HydrophobicContact CD1-CG2 3.78Å; L65-V128 HydrophobicContact CD2-CG1 4.3Å; I93-V128 HydrophobicContact CG2-CG2 3.59Å; L96-V128 HydrophobicContact CB-CB 4.37Å; L96-V128 HydrophobicContact CB-CG2 3.87Å; L96-V128 HydrophobicContact CD1-CG2 3.77Å; L96-V128 HydrophobicContact CG-CG2 4.48Å; L97-V128 HydrophobicContact CD2-CG1 4.03Å; S103-V128 PolarHBondContact O-N 2.73Å; V128-L130 HydrophobicContact CG1-CD2 4.15Å; V128-L130 HydrophobicContact CG1-CG 3.98Å
129E83.1Confident76.1Confident56 Ų5680.4 Ų80.426%0.26238%0.376SS..EExtended strand (participates in β ladder)trans-116102.3170.2-72.2170.1-166.700108.1K4 K6 K127K4-E129 HydrophobicContact CB-CB 4.3Å; K4-E129 PolarHBondContact N-O 3.08Å; K4-E129 PolarHBondContact O-N 2.77Å; K6-E129 WeakPolarHBondContact CE-OE2 3.43Å; K6-E129 IonicContact NZ-OE1 3.62Å; K6-E129 PolarHBondContact NZ-OE1 3.47Å; K6-E129 IonicContact NZ-OE2 2.69Å; K6-E129 PolarHBondContact NZ-OE2 2.98Å; K127-E129 HydrophobicContact CD-CG 4.48Å; K127-E129 VanDerWaalsContact CE-OE1 3.27Å; K127-E129 WeakPolarHBondContact CE-OE1 3.29Å; K127-E129 IonicContact NZ-OE1 2.72Å; K127-E129 PolarHBondContact NZ-OE1 3.44Å
130L74.8Confident75Confident69 Ų6977.4 Ų77.436%0.36137%0.366SS..  trans-87.8133.8173.8-68.5173.9000110.1L65 L97 V128L65-L130 HydrophobicContact CD2-CD2 3.66Å; L97-L130 HydrophobicContact CB-CD1 4.47Å; L97-L130 HydrophobicContact CD2-CD1 4.11Å; L97-L130 HydrophobicContact CD2-CD2 4.19Å; L97-L130 HydrophobicContact CD2-CG 4.45Å; V128-L130 HydrophobicContact CG1-CD2 4.15Å; V128-L130 HydrophobicContact CG1-CG 3.98Å
131F68.4Low74.1Confident124 Ų12477 Ų7754%0.54436%0.361SS..  trans-91.6110.6169.4-62.5-80.1000108.3K4 D133K4-F131 HydrophobicContact CD-CE2 4.07Å; K4-F131 HydrophobicContact CD-CZ 4.23Å; K4-F131 HydrophobicContact CG-CE2 4.12Å; F131-D133 PolarHBondContact O-N 2.7Å
132N55.6Low73.2Confident147 Ų14775.5 Ų75.579%0.78636%0.356SS*.  trans-81.7103.4-175.9-137.76.6000109.1
133D49.7Very low72.3Confident110 Ų11077.2 Ų77.259%0.58837%0.373SS*.  trans-125.4142.2172.4-139.4-11.9000111.7M1 F131 N135 R138M1-D133 HydrophobicContact CE-CB 3.92Å; M1-D133 HydrophobicContact SD-CB 3.96Å; F131-D133 PolarHBondContact O-N 2.7Å; D133-N135 VanDerWaalsContact C-N 3.29Å; D133-N135 PolarHBondContact O-N 3.07Å; D133-R138 PolarHBondContact O-NH2 3.34Å
134L49.8Very low71.9Confident174 Ų17476.4 Ų76.491%0.91137%0.37SS*.  trans-81.767.7-173.1-75.1159.4000110.4
135N50.1Low71.6Confident83 Ų8378 Ų7844%0.44438%0.376SS..  trans-92.1132.3175-156.6-4.8000111.1M1 D133 F137 R138M1-N135 HydrophobicContact CE-CB 3.23Å; D133-N135 VanDerWaalsContact C-N 3.29Å; D133-N135 PolarHBondContact O-N 3.07Å; N135-F137 VanDerWaalsContact C-N 3.34Å; N135-R138 WeakPolarHBondContact O-CG 3.43Å
136R45.5Very low71.5Confident236 Ų23677.1 Ų77.189%0.89137%0.371SS*.SBendtrans-82.3-11.9-174.5-168.2169.9-179169.20.5113.3
137F52.6Low71.4Confident177 Ų17777.4 Ų77.478%0.77637%0.373SS*.SBendtrans-109.851.4179.1-58.1-80.4000111.2N135 Q139N135-F137 VanDerWaalsContact C-N 3.34Å; F137-Q139 PolarHBondContact O-N 2.87Å
138R60.8Low71.5Confident101 Ų10175 Ų7538%0.38136%0.364SS..  trans-69.2123.7-179.6-81.8178.9179.9-166.1-3.6110.2D133 N135 S140 L209D133-R138 PolarHBondContact O-NH2 3.34Å; N135-R138 WeakPolarHBondContact O-CG 3.43Å; R138-S140 VanDerWaalsContact C-N 3.33Å; R138-L209 WeakPolarHBondContact O-CD2 3.14Å
139Q62.4Low71.8Confident140 Ų14074.5 Ų74.565%0.65436%0.361SS*.  trans-88.8-5.4166.7-70.5174.9-33.500112.2F137F137-Q139 PolarHBondContact O-N 2.87Å
140S70.3Confident72.1Confident6 Ų673.7 Ų73.74%0.04236%0.36CS..  trans-104.9145.8176.960.60000111.9Q66 R138 C142Q66-S140 VanDerWaalsContact OE1-CA 3.29Å; R138-S140 VanDerWaalsContact C-N 3.33Å; S140-C142 VanDerWaalsContact C-N 3.33Å
141S77.4Confident72.8Confident1 Ų171.2 Ų71.21%0.00735%0.348CS..  trans-96.417.5174.567.30000113.2Q66 G143 V144 R205 G208Q66-S141 PolarHBondContact NE2-OG 3.24Å; Q66-S141 PolarHBondContact OE1-OG 2.78Å; S141-G143 PolarHBondContact O-N 3.07Å; S141-V144 WeakPolarHBondContact O-CB 3.16Å; S141-V144 WeakPolarHBondContact O-CG2 3.43Å; S141-V144 PolarHBondContact O-N 2.95Å; S141-R205 WeakPolarHBondContact CB-O 3.41Å; S141-R205 WeakPolarHBondContact OG-CA 3.41Å; S141-G208 VanDerWaalsContact CB-C 3.45Å; S141-G208 VanDerWaalsContact CB-CA 3.48Å
142C76.8Confident73.9Confident22 Ų2267.5 Ų67.515%0.14933%0.334CS..THydrogen-bonded Turntrans-49.7125.2179.1-66.10000111.6S140S140-C142 VanDerWaalsContact C-N 3.33Å
143G78Confident75.4Confident35 Ų3560.6 Ų60.636%0.36130%0.297SS..THydrogen-bonded Turntrans100.7-11.4-179.600000114.9S141S141-G143 PolarHBondContact O-N 3.07Å
144V88.9Confident77Confident12 Ų1260.4 Ų60.47%0.07329%0.288CS..PPolyproline II helixtrans-74130.5167.8-179.10000109.5S141 F146 V211 L212 N217 V219S141-V144 WeakPolarHBondContact O-CB 3.16Å; S141-V144 WeakPolarHBondContact O-CG2 3.43Å; S141-V144 PolarHBondContact O-N 2.95Å; V144-F146 HydrophobicContact CB-CE2 4.26Å; V144-F146 HydrophobicContact CG1-CE2 4.04Å; V144-F146 HydrophobicContact CG1-CZ 4.17Å; V144-V211 HydrophobicContact CG1-CB 4.3Å; V144-V211 HydrophobicContact CG1-CG1 4.06Å; V144-L212 HydrophobicContact CG2-CD1 4.03Å; V144-L212 HydrophobicContact CG2-CD2 3.71Å; V144-L212 HydrophobicContact CG2-CG 3.57Å; V144-N217 WeakPolarHBondContact CA-O 3.21Å; V144-V219 HydrophobicContact CG1-CG2 4.23Å
145K90.1Very high78.5Confident32 Ų3254.1 Ų54.114%0.13927%0.265CS..EExtended strand (participates in β ladder)trans-93119.3178.2-63.8178.3-176.4172.50110.7E100 Y156 N217 A218 V219E100-K145 IonicContact OE1-NZ 2.78Å; E100-K145 PolarHBondContact OE1-NZ 3.03Å; E100-K145 IonicContact OE2-NZ 3.26Å; K145-Y156 PolarHBondContact NZ-OH 3.08Å; K145-N217 PolarHBondContact N-O 3.5Å; K145-A218 HydrophobicContact CB-CB 4.04Å; K145-A218 CarbonylContact O-C 3.53Å; K145-A218 WeakPolarHBondContact O-CA 3.47Å; K145-V219 PolarHBondContact O-N 3.12Å
146F93Very high80.3Confident20 Ų2051 Ų519%0.08825%0.247CC..EExtended strand (participates in β ladder)trans-91.7130.3169.9-66.6-90.7000110.1V144 Q204 I207 V219 Y222 I920V144-F146 HydrophobicContact CB-CE2 4.26Å; V144-F146 HydrophobicContact CG1-CE2 4.04Å; V144-F146 HydrophobicContact CG1-CZ 4.17Å; F146-Q204 HydrophobicContact CE2-CB 4.44Å; F146-Q204 HydrophobicContact CZ-CB 4.29Å; F146-Q204 WeakPolarHBondContact CZ-O 3.44Å; F146-I207 HydrophobicContact CE1-CB 4.25Å; F146-I207 HydrophobicContact CE1-CG2 3.84Å; F146-I207 HydrophobicContact CZ-CG2 4.43Å; F146-V219 HydrophobicContact CD1-CB 3.96Å; F146-V219 HydrophobicContact CD1-CG2 3.99Å; F146-V219 HydrophobicContact CE1-CB 4.21Å; F146-V219 HydrophobicContact CE1-CG2 3.73Å; F146-V219 HydrophobicContact CZ-CG2 4.38Å; F146-Y222 AromaticContact CD1-CD2 3.66Å; F146-Y222 HydrophobicContact CD1-CD2 3.66Å; F146-Y222 AromaticContact CD1-CE2 3.82Å; F146-Y222 HydrophobicContact CD1-CE2 3.82Å; F146-Y222 HydrophobicContact CD1-CG 4.02Å; F146-Y222 HydrophobicContact CE1-CD2 4.16Å; F146-Y222 HydrophobicContact CE1-CE2 4.04Å; F146-I920 HydrophobicContact CB-CB 4.39Å; F146-I920 HydrophobicContact CB-CG2 4Å
147L93.9Very high82.3Confident6 Ų642.6 Ų42.63%0.03122%0.215CC..EExtended strand (participates in β ladder)trans-138122.7-175.8-66.2156.1000110T149 P153 V219 V220 G221 Y222 L245 Y917 D993L147-T149 VanDerWaalsContact C-N 3.27Å; L147-T149 PolarHBondContact O-N 2.97Å; L147-P153 HydrophobicContact CD1-CB 4.45Å; L147-P153 HydrophobicContact CD1-CG 3.48Å; L147-P153 VanDerWaalsContact CD1-CG 3.48Å; L147-P153 HydrophobicContact CG-CG 4.49Å; L147-V219 PolarHBondContact N-O 2.76Å; L147-V220 HydrophobicContact CD1-CG2 4.33Å; L147-G221 PolarHBondContact O-N 2.81Å; L147-G221 VanDerWaalsContact O-N 3.12Å; L147-Y222 WeakPolarHBondContact O-CB 3.42Å; L147-Y222 PolarHBondContact O-N 3.36Å; L147-L245 HydrophobicContact CD1-CD1 3.89Å; L147-Y917 HydrophobicContact CD2-CD1 3.48Å; L147-Y917 VanDerWaalsContact CD2-CD1 3.48Å; L147-Y917 HydrophobicContact CD2-CE1 4.04Å; L147-Y917 HydrophobicContact CD2-CG 4.02Å; L147-D993 WeakPolarHBondContact CA-OD1 3.27Å
148C93.5Very high83.9Confident14 Ų1434.8 Ų34.810%0.09518%0.183CC..  trans-69.2-26.7175-69.60000112.4T150 I920 D993C148-T150 PolarHBondContact O-N 3.39Å; C148-I920 WeakPolarHBondContact SG-CD1 3.39Å; C148-D993 PolarHBondContact N-OD1 2.88Å; C148-D993 PolarHBondContact N-OD2 2.69Å
149T92.5Very high85Confident0 Ų031 Ų310%017%0.173CC..  trans-52.3125.7-179.5-60.60000112.2L147 S151 V220 G221 S967 D993L147-T149 VanDerWaalsContact C-N 3.27Å; L147-T149 PolarHBondContact O-N 2.97Å; T149-S151 VanDerWaalsContact C-N 3.27Å; T149-S151 WeakPolarHBondContact CG2-O 3.41Å; T149-S151 WeakPolarHBondContact CG2-OG 3.3Å; T149-S151 PolarHBondContact O-N 3.28Å; T149-V220 WeakPolarHBondContact O-CG1 3.41Å; T149-G221 WeakPolarHBondContact O-CA 3.5Å; T149-G221 PolarHBondContact O-N 3.46Å; T149-S967 WeakPolarHBondContact CA-OG 2.99Å; T149-S967 PolarHBondContact OG1-OG 3.07Å; T149-D993 WeakPolarHBondContact CB-OD2 3.32Å; T149-D993 PolarHBondContact N-OD2 3.1Å; T149-D993 PolarHBondContact OG1-OD2 3.25Å
150T90.1Very high86.1Confident39 Ų3927.3 Ų27.324%0.23916%0.157CC..SBendtrans-88.414.9-179.157.70000113.8C148 L353 T354 S355C148-T150 PolarHBondContact O-N 3.39Å; T150-L353 CarbonylContact O-C 3.5Å; T150-L353 VanDerWaalsContact O-CA 3.27Å; T150-L353 WeakPolarHBondContact O-CA 3.21Å; T150-T354 WeakPolarHBondContact CB-OG1 3.45Å; T150-T354 HydrophobicContact CG2-CG2 4.46Å; T150-T354 PolarHBondContact O-N 3.45Å; T150-T354 PolarHBondContact OG1-OG1 3.4Å; T150-S355 PolarHBondContact O-N 3.3Å
151S90.1Very high86.8Confident17 Ų1727.5 Ų27.512%0.11916%0.158CC..SBendtrans-130.7166.5174.969.40000109.8T149 P153 V220T149-S151 VanDerWaalsContact C-N 3.27Å; T149-S151 WeakPolarHBondContact CG2-O 3.41Å; T149-S151 WeakPolarHBondContact CG2-OG 3.3Å; T149-S151 PolarHBondContact O-N 3.28Å; S151-P153 VanDerWaalsContact O-CD 3.3Å; S151-P153 WeakPolarHBondContact O-CD 3.44Å; S151-P153 VanDerWaalsContact O-N 3.16Å; S151-V220 VanDerWaalsContact O-CG1 3.28Å; S151-V220 WeakPolarHBondContact O-CG1 3.45Å
152I90.1Very high87.3Confident46 Ų4628.5 Ų28.524%0.23616%0.163CC..PPolyproline II helixtrans-62.4122173.9-62.4171.7000108.1R154 A158 P357I152-R154 PolarHBondContact O-N 3.03Å; I152-A158 HydrophobicContact CD1-CB 3.64Å; I152-A158 HydrophobicContact CG1-CB 4.16Å; I152-A158 HydrophobicContact CG2-CB 4.36Å; I152-P357 HydrophobicContact CD1-CG 3.56Å
153P87.1Confident87.7Confident1 Ų127.7 Ų27.71%0.00616%0.158CC..PPolyproline II helixtrans-58.6138.1-173.4-21.528.5000112.4L147 S151 G155 Y156 L245 Y917L147-P153 HydrophobicContact CD1-CB 4.45Å; L147-P153 HydrophobicContact CD1-CG 3.48Å; L147-P153 VanDerWaalsContact CD1-CG 3.48Å; L147-P153 HydrophobicContact CG-CG 4.49Å; S151-P153 VanDerWaalsContact O-CD 3.3Å; S151-P153 WeakPolarHBondContact O-CD 3.44Å; S151-P153 VanDerWaalsContact O-N 3.16Å; P153-G155 PolarHBondContact O-N 3.21Å; P153-Y156 HydrophobicContact CB-CD2 3.98Å; P153-Y156 PolarHBondContact O-N 3.27Å; P153-L245 HydrophobicContact CG-CD1 4.12Å; P153-Y917 HydrophobicContact CB-CE1 4.29Å; P153-Y917 HydrophobicContact CB-CE2 3.79Å
154R83.6Confident88.4Confident107 Ų10726.8 Ų26.840%0.40414%0.144SC..THydrogen-bonded Turntrans-61.6134-179-67.7-171.1176.5-162.80.1110.8I152 Y156 F908 Y917I152-R154 PolarHBondContact O-N 3.03Å; R154-Y156 VanDerWaalsContact C-N 3.34Å; R154-F908 VanDerWaalsContact CZ-CB 3.41Å; R154-F908 VanDerWaalsContact NH2-CD2 3.28Å; R154-Y917 PolarHBondContact N-OH 2.93Å; R154-Y917 WeakPolarHBondContact O-CE2 3.3Å
155G82.4Confident88.6Confident41 Ų4126.4 Ų26.442%0.42314%0.142SC..THydrogen-bonded Turntrans89.7-2.8-176.100000114.2P153 H248P153-G155 PolarHBondContact O-N 3.21Å; G155-H248 PolarHBondContact O-N 2.64Å; G155-H248 VanDerWaalsContact O-N 3.08Å
156Y87Confident88.8Confident18 Ų1826.6 Ų26.67%0.07114%0.143CC..EExtended strand (participates in β ladder)trans-116.2151.3170.2-65-90.2000111.6K145 P153 R154 L245 E246 K247 Y917K145-Y156 PolarHBondContact NZ-OH 3.08Å; P153-Y156 HydrophobicContact CB-CD2 3.98Å; P153-Y156 PolarHBondContact O-N 3.27Å; R154-Y156 VanDerWaalsContact C-N 3.34Å; Y156-L245 HydrophobicContact CD1-CB 3.99Å; Y156-L245 HydrophobicContact CG-CB 4.43Å; Y156-E246 CarbonylContact C-O 3.57Å; Y156-E246 VanDerWaalsContact CA-O 3.27Å; Y156-E246 WeakPolarHBondContact CA-O 3.36Å; Y156-K247 HydrophobicContact CD1-CB 4.32Å; Y156-K247 HydrophobicContact CE1-CB 4.2Å; Y156-K247 HydrophobicContact CE1-CG 4.45Å; Y156-Y917 HydrophobicContact CD2-CD2 4.46Å; Y156-Y917 HydrophobicContact CD2-CE2 4.47Å; Y156-Y917 AromaticContact CE2-CD2 3.81Å; Y156-Y917 HydrophobicContact CE2-CD2 3.81Å; Y156-Y917 HydrophobicContact CE2-CE2 4.26Å
157R86.8Confident88.9Confident60 Ų6027.5 Ų27.523%0.22615%0.147CC..EExtended strand (participates in β ladder)trans-107.9133.5165.8-173.9-169.3-166.5156.718.6107.7A159 E246 C463 D465R157-A159 PolarHBondContact O-N 3.31Å; R157-E246 PolarHBondContact N-O 3.01Å; R157-E246 PolarHBondContact O-N 3.05Å; R157-C463 HydrophobicContact CG-CB 4.41Å; R157-C463 PolarHBondContact NE-O 2.9Å; R157-C463 VanDerWaalsContact NE-O 3.07Å; R157-C463 PolarHBondContact NH2-O 2.91Å; R157-C463 PolarHBondContact NH2-SG 3.33Å; R157-D465 IonicContact CZ-OD1 3.69Å; R157-D465 IonicContact NH1-OD1 2.82Å; R157-D465 IonicContact NH2-OD1 3.51Å; R157-D465 PolarHBondContact NH2-OD1 3.41Å
158A86.3Confident88.8Confident12 Ų1228.1 Ų28.110%0.09915%0.151CC..EExtended strand (participates in β ladder)trans-75.9107.5167.600000108.8I152 V161 L245I152-A158 HydrophobicContact CD1-CB 3.64Å; I152-A158 HydrophobicContact CG1-CB 4.16Å; I152-A158 HydrophobicContact CG2-CB 4.36Å; A158-V161 HydrophobicContact CB-CG2 4.46Å; A158-L245 HydrophobicContact CB-CD2 4.21Å
159A85.4Confident88.6Confident22 Ų2227.9 Ų27.918%0.18215%0.149CC..EExtended strand (participates in β ladder)trans-71.2-39.3173.100000110.6R157 T244 E246 G462R157-A159 PolarHBondContact O-N 3.31Å; A159-T244 HydrophobicContact CB-CG2 4.26Å; A159-T244 PolarHBondContact N-O 3.19Å; A159-E246 HydrophobicContact CB-CG 3.88Å; A159-G462 WeakPolarHBondContact O-CA 3.28Å
160M84.1Confident88.4Confident63 Ų6329 Ų2931%0.3116%0.155SC..EExtended strand (participates in β ladder)trans-149.9145.2176.2-167.8169.3-67.100110.8H162 C243 T244M160-H162 PolarHBondContact SD-CE1 2.82Å; M160-C243 CarbonylContact O-C 3.58Å; M160-C243 WeakPolarHBondContact O-CA 3.13Å; M160-T244 PolarHBondContact N-O 3.38Å; M160-T244 PolarHBondContact O-N 3.12Å
161V86.7Confident88.3Confident10 Ų1030.2 Ų30.26%0.06116%0.161CC..EExtended strand (participates in β ladder)trans-110.3111.4168.9-1710000107.6A158 T241 R346 F351 M459A158-V161 HydrophobicContact CB-CG2 4.46Å; V161-T241 HydrophobicContact CG1-CG2 3.62Å; V161-R346 PolarHBondContact O-NH1 2.76Å; V161-R346 VanDerWaalsContact O-NH1 3.15Å; V161-F351 HydrophobicContact CG1-CD1 3.9Å; V161-F351 HydrophobicContact CG1-CE1 3.58Å; V161-M459 HydrophobicContact CB-CE 4.39Å; V161-M459 HydrophobicContact CB-SD 4.38Å
162H86.1Confident88Confident22 Ų2232.4 Ų32.410%0.10217%0.169CC..EExtended strand (participates in β ladder)trans-79.7-39.7-173.8-69.3-65000112.1M160 M214 G215 G216 A242 T244 R346M160-H162 PolarHBondContact SD-CE1 2.82Å; H162-M214 HydrophobicContact CB-CB 4.22Å; H162-M214 HydrophobicContact CB-SD 4.27Å; H162-M214 PolarHBondContact CE1-O 2.82Å; H162-M214 PolarHBondContact ND1-O 3.23Å; H162-G215 PolarHBondContact NE2-O 2.91Å; H162-G216 VanDerWaalsContact CD2-CA 3.48Å; H162-G216 WeakPolarHBondContact CD2-CA 3.45Å; H162-G216 PolarHBondContact NE2-N 2.7Å; H162-A242 HydrophobicContact CB-CB 4.05Å; H162-A242 PolarHBondContact N-O 2.98Å; H162-T244 PolarHBondContact NE2-OG1 3.38Å; H162-R346 PolarHBondContact O-NE 2.99Å; H162-R346 PolarHBondContact O-NH1 2.97Å
163G86.6Confident87.6Confident5 Ų530.4 Ų30.45%0.05216%0.159CC..EExtended strand (participates in β ladder)trans142.5-157.2176.600000113.3T241 A242G163-T241 CarbonylContact O-C 3.47Å; G163-T241 WeakPolarHBondContact O-CA 3.15Å; G163-A242 PolarHBondContact O-N 3.14Å
164F92.4Very high87.3Confident16 Ų1630.9 Ų30.97%0.0716%0.162CC..EExtended strand (participates in β ladder)trans-76.4138.2-179.3-171.6-119.2000111.7E166 I239 F348 F350 T352 Y432F164-E166 HydrophobicContact CD1-CB 4.48Å; F164-E166 HydrophobicContact CD1-CG 4.37Å; F164-E166 HydrophobicContact CE1-CB 3.75Å; F164-E166 HydrophobicContact CE1-CG 3.83Å; F164-E166 HydrophobicContact CZ-CB 4.08Å; F164-I239 HydrophobicContact CE2-CB 3.79Å; F164-I239 HydrophobicContact CE2-CG2 4.15Å; F164-I239 HydrophobicContact CZ-CB 3.84Å; F164-I239 HydrophobicContact CZ-CG2 3.65Å; F164-F348 HydrophobicContact CB-CB 4.09Å; F164-F348 HydrophobicContact CD1-CB 4.23Å; F164-F350 HydrophobicContact CB-CB 4.07Å; F164-F350 WeakPolarHBondContact CB-O 3.38Å; F164-F350 HydrophobicContact CD1-CD2 4.37Å; F164-F350 HydrophobicContact CD2-CB 3.74Å; F164-F350 HydrophobicContact CE2-CB 4.27Å; F164-F350 HydrophobicContact CG-CB 3.87Å; F164-T352 HydrophobicContact CE2-CG2 4.36Å; F164-Y432 AromaticContact CE2-CD1 3.97Å; F164-Y432 HydrophobicContact CE2-CD1 3.97Å; F164-Y432 HydrophobicContact CE2-CE1 4.11Å; F164-Y432 HydrophobicContact CZ-CD1 4.37Å; F164-Y432 HydrophobicContact CZ-CE1 4.03Å
165V93.6Very high86.9Confident4 Ų428.2 Ų28.22%0.02415%0.154CC..EExtended strand (participates in β ladder)trans-124.1142.4167.5-78.40000109.9I207 V211 M214 V219 I239 G240 A242V165-I207 HydrophobicContact CB-CG2 4.17Å; V165-I207 HydrophobicContact CG2-CG2 4.03Å; V165-V211 HydrophobicContact CG1-CG2 3.86Å; V165-V211 HydrophobicContact CG2-CG2 4.41Å; V165-M214 HydrophobicContact CG1-CE 3.09Å; V165-V219 HydrophobicContact CG2-CG1 3.82Å; V165-V219 HydrophobicContact CG2-CG2 4.29Å; V165-I239 CarbonylContact O-C 3.55Å; V165-I239 WeakPolarHBondContact O-CA 3.18Å; V165-G240 VanDerWaalsContact CG2-O 3.32Å; V165-G240 WeakPolarHBondContact CG2-O 3.5Å; V165-G240 PolarHBondContact N-O 2.97Å; V165-G240 PolarHBondContact O-N 2.94Å; V165-A242 HydrophobicContact CG1-CB 3.78Å; V165-A242 HydrophobicContact CG2-CB 4.46Å
166E93.6Very high86.2Confident36 Ų3631.5 Ų31.517%0.16815%0.154CC..EExtended strand (participates in β ladder)trans-151.4158.6174.863.8167.6141.600111.9F164 K210 A238 I239 R414F164-E166 HydrophobicContact CD1-CB 4.48Å; F164-E166 HydrophobicContact CD1-CG 4.37Å; F164-E166 HydrophobicContact CE1-CB 3.75Å; F164-E166 HydrophobicContact CE1-CG 3.83Å; F164-E166 HydrophobicContact CZ-CB 4.08Å; E166-K210 PolarHBondContact O-NZ 3.19Å; E166-A238 VanDerWaalsContact CA-O 3.27Å; E166-A238 WeakPolarHBondContact CA-O 3.44Å; E166-I239 HydrophobicContact CB-CG2 4.13Å; E166-R414 IonicContact OE1-CZ 3.09Å; E166-R414 IonicContact OE1-NE 2.65Å; E166-R414 IonicContact OE1-NH1 3.16Å; E166-R414 PolarHBondContact OE1-NH1 3.42Å; E166-R414 IonicContact OE1-NH2 3.83Å; E166-R414 IonicContact OE2-CZ 2.76Å; E166-R414 IonicContact OE2-NE 3.86Å; E166-R414 IonicContact OE2-NH1 3.98Å; E166-R414 PolarHBondContact OE2-NH1 3.3Å; E166-R414 IonicContact OE2-NH2 2.95Å; E166-R414 PolarHBondContact OE2-NH2 3.18Å
167E94.2Very high85.3Confident38 Ų3833.6 Ų33.618%0.17817%0.165CC..EExtended strand (participates in β ladder)trans-159.5158.7169-170.166.2-94.100109.2L203 K206 I207 K210 R237 A238E167-L203 HydrophobicContact CB-CD1 3.55Å; E167-L203 HydrophobicContact CG-CD1 3.68Å; E167-L203 WeakPolarHBondContact O-CD1 3.35Å; E167-K206 HydrophobicContact CG-CB 3.78Å; E167-K206 HydrophobicContact CG-CD 3.93Å; E167-I207 HydrophobicContact CB-CD1 3.94Å; E167-I207 HydrophobicContact CB-CG1 3.45Å; E167-I207 VanDerWaalsContact CB-CG1 3.45Å; E167-K210 VanDerWaalsContact CD-NZ 3.27Å; E167-K210 IonicContact OE1-NZ 3.88Å; E167-K210 PolarHBondContact OE1-NZ 3.26Å; E167-K210 WeakPolarHBondContact OE2-CE 3.19Å; E167-K210 IonicContact OE2-NZ 2.87Å; E167-K210 PolarHBondContact OE2-NZ 2.92Å; E167-R237 WeakPolarHBondContact O-CA 3.41Å; E167-A238 PolarHBondContact N-O 2.86Å; E167-A238 VanDerWaalsContact N-O 3.14Å; E167-A238 PolarHBondContact O-N 3.42Å
168L92.6Very high83.8Confident19 Ų1939.7 Ų39.710%0.09919%0.188CC..EExtended strand (participates in β ladder)trans-136.2155.9163.76980000112.3V170 V236 R237 R406 D407L168-V170 HydrophobicContact CD1-CG2 3.66Å; L168-V236 CarbonylContact C-O 3.58Å; L168-V236 WeakPolarHBondContact CA-O 3.48Å; L168-R237 HydrophobicContact CB-CB 3.81Å; L168-R406 HydrophobicContact CD2-CB 4.01Å; L168-R406 HydrophobicContact CD2-CG 3.85Å; L168-D407 HydrophobicContact CD2-CB 4.35Å; L168-D407 VanDerWaalsContact CD2-CG 3.43Å; L168-D407 WeakPolarHBondContact CD2-OD1 3.05Å; L168-D407 WeakPolarHBondContact CG-OD1 3.42Å
169V90Very high82.5Confident9 Ų942 Ų426%0.05520%0.198CC..EExtended strand (participates in β ladder)trans-132.9135.1175.1-176.30000107.7M199 E202 L203 V236V169-M199 HydrophobicContact CB-CE 4.14Å; V169-M199 HydrophobicContact CG1-CE 3.84Å; V169-M199 HydrophobicContact CG1-CG 4.35Å; V169-M199 WeakPolarHBondContact O-CE 3.47Å; V169-E202 HydrophobicContact CG2-CG 4.38Å; V169-L203 HydrophobicContact CG2-CB 4.15Å; V169-L203 HydrophobicContact CG2-CD1 3.97Å; V169-V236 PolarHBondContact N-O 2.85Å; V169-V236 PolarHBondContact O-N 3.06Å
170V88.6Confident81.2Confident23 Ų2342 Ų4214%0.13920%0.195CC..EExtended strand (participates in β ladder)trans-120.4135.9-179.8-173.30000109.3L168 L234 V235 N381 L384L168-V170 HydrophobicContact CD1-CG2 3.66Å; V170-L234 WeakPolarHBondContact CA-O 3.35Å; V170-V235 HydrophobicContact CB-CG2 4.43Å; V170-V235 HydrophobicContact CG1-CG2 3.97Å; V170-V235 HydrophobicContact CG2-CG1 4.29Å; V170-V235 HydrophobicContact CG2-CG2 3.93Å; V170-N381 HydrophobicContact CG1-CB 4.44Å; V170-L384 HydrophobicContact CG1-CD1 4.19Å
171N87Confident80.1Confident65 Ų6550 Ų5035%0.34822%0.222SC..EExtended strand (participates in β ladder)trans-146.7166.4175-148.9-28.4000111.3L195 M199 L234N171-L195 HydrophobicContact CB-CD1 4.42Å; N171-L195 HydrophobicContact CB-CD2 4.38Å; N171-M199 HydrophobicContact CB-CE 3.67Å; N171-M199 HydrophobicContact CB-CG 4.39Å; N171-M199 HydrophobicContact CB-SD 3.5Å; N171-M199 VanDerWaalsContact CB-SD 3.5Å; N171-L234 PolarHBondContact N-O 3.15Å; N171-L234 PolarHBondContact O-N 2.84Å
172E83.7Confident79Confident64 Ų6456.1 Ų56.130%0.29925%0.252SS..  trans-70.9135.5173.3-66.8-173.6174.300110.6P174 Q177 L195 L384E172-P174 WeakPolarHBondContact O-CD 3.37Å; E172-Q177 PolarHBondContact OE2-NE2 3.49Å; E172-L195 WeakPolarHBondContact O-CD2 3.46Å; E172-L384 HydrophobicContact CG-CD1 4.36Å; E172-L384 HydrophobicContact CG-CD2 3.62Å; E172-L384 HydrophobicContact CG-CG 3.71Å
173D82.7Confident78.5Confident4 Ų460.1 Ų60.12%0.02127%0.267CS..  trans-77.3122.1173.1-165.7-32.4000109.9E175 Y176 R192 L234D173-E175 PolarHBondContact O-N 2.85Å; D173-E175 VanDerWaalsContact O-N 3.15Å; D173-E175 WeakPolarHBondContact OD1-CB 3.37Å; D173-E175 PolarHBondContact OD1-N 3.03Å; D173-E175 VanDerWaalsContact OD1-N 3.07Å; D173-Y176 HydrophobicContact CB-CD2 4.06Å; D173-Y176 PolarHBondContact O-N 2.85Å; D173-R192 WeakPolarHBondContact OD1-CD 3.46Å; D173-R192 IonicContact OD1-CZ 3.55Å; D173-R192 IonicContact OD1-NE 3.91Å; D173-R192 PolarHBondContact OD1-NE 3.31Å; D173-R192 IonicContact OD2-CZ 3.51Å; D173-R192 IonicContact OD2-NE 2.64Å; D173-R192 PolarHBondContact OD2-NE 2.89Å; D173-R192 IonicContact OD2-NH2 2.67Å; D173-R192 PolarHBondContact OD2-NH2 3.01Å; D173-L234 HydrophobicContact CB-CB 4.44Å
174P80.8Confident78.3Confident10 Ų1064 Ų647%0.06529%0.289CS..G310 helixtrans-53.5-35.8179.1-28.637.6000112.8E172 Y176 Q177 D180 A191 R192 L195E172-P174 WeakPolarHBondContact O-CD 3.37Å; P174-Y176 PolarHBondContact O-N 2.78Å; P174-Y176 VanDerWaalsContact O-N 3.1Å; P174-Q177 WeakPolarHBondContact O-CB 3.27Å; P174-Q177 PolarHBondContact O-N 2.97Å; P174-D180 VanDerWaalsContact C-OD2 3.3Å; P174-A191 HydrophobicContact CB-CB 4.13Å; P174-A191 HydrophobicContact CG-CB 4.44Å; P174-R192 HydrophobicContact CG-CB 4.47Å; P174-L195 VanDerWaalsContact CD-CD2 3.49Å; P174-L195 HydrophobicContact CG-CB 4.35Å; P174-L195 HydrophobicContact CG-CD2 3.86Å
175E75.2Confident77.6Confident51 Ų5166.6 Ų66.624%0.23831%0.308CS..G310 helixtrans-56.4-31.4-177.2-176.4172.8-167.900113.3D173 R192D173-E175 PolarHBondContact O-N 2.85Å; D173-E175 VanDerWaalsContact O-N 3.15Å; D173-E175 WeakPolarHBondContact OD1-CB 3.37Å; D173-E175 PolarHBondContact OD1-N 3.03Å; D173-E175 VanDerWaalsContact OD1-N 3.07Å; E175-R192 IonicContact OE2-CZ 2.77Å; E175-R192 IonicContact OE2-NE 2.85Å; E175-R192 IonicContact OE2-NH1 2.64Å; E175-R192 PolarHBondContact OE2-NH1 3.49Å; E175-R192 IonicContact OE2-NH2 3.5Å; E175-R192 PolarHBondContact OE2-NH2 3.47Å
176Y67.4Low77.2Confident111 Ų11168.9 Ų68.944%0.43532%0.316SS..G310 helixtrans-981.4-177.5-65.5-86.7000113.3D173 P174 G230 E231D173-Y176 HydrophobicContact CB-CD2 4.06Å; D173-Y176 PolarHBondContact O-N 2.85Å; P174-Y176 PolarHBondContact O-N 2.78Å; P174-Y176 VanDerWaalsContact O-N 3.1Å; Y176-G230 VanDerWaalsContact CD2-O 3.3Å; Y176-G230 WeakPolarHBondContact CD2-O 3.34Å; Y176-G230 VanDerWaalsContact CE2-CA 3.48Å; Y176-E231 HydrophobicContact CD1-CG 3.86Å; Y176-E231 HydrophobicContact CE1-CG 4.32Å
177Q68.5Low76.8Confident62 Ų6268.8 Ų68.829%0.2932%0.322SS..SBendtrans-72.2141.7177.5-68.1-172.7-1700111.6E172 P174 I179 D180E172-Q177 PolarHBondContact OE2-NE2 3.49Å; P174-Q177 WeakPolarHBondContact O-CB 3.27Å; P174-Q177 PolarHBondContact O-N 2.97Å; Q177-I179 PolarHBondContact O-N 2.92Å; Q177-I179 VanDerWaalsContact O-N 3.09Å; Q177-D180 WeakPolarHBondContact O-CB 3.45Å; Q177-D180 PolarHBondContact O-N 2.94Å
178W54.1Low76.4Confident188 Ų18867.7 Ų67.771%0.71232%0.318SS*.G310 helixtrans-58.1-29.9-179.270.8-88000113.3D180 R181 I182W178-D180 PolarHBondContact O-N 2.93Å; W178-R181 WeakPolarHBondContact O-CB 3.31Å; W178-R181 PolarHBondContact O-N 2.8Å; W178-I182 HydrophobicContact CZ3-CD1 4.49Å
179I59.4Low76.2Confident61 Ų6167 Ų6731%0.31332%0.315SS..G310 helixtrans-67-23.5179.1-123.6160.1000111.4Q177 R181 I182 R183Q177-I179 PolarHBondContact O-N 2.92Å; Q177-I179 VanDerWaalsContact O-N 3.09Å; I179-R181 VanDerWaalsContact C-N 3.29Å; I179-R181 PolarHBondContact O-N 3.14Å; I179-I182 PolarHBondContact O-N 2.88Å; I179-I182 VanDerWaalsContact O-N 3.12Å; I179-R183 HydrophobicContact CG2-CG 4.48Å; I179-R183 VanDerWaalsContact CG2-CZ 3.44Å; I179-R183 PolarHBondContact O-N 3.24Å
180D58.7Low76.1Confident20 Ų2067.8 Ų67.811%0.10732%0.318CS..G310 helixtrans-76.5-16.2-179.6-79.521.6000112.7P174 Q177 W178 I182 R183 S188P174-D180 VanDerWaalsContact C-OD2 3.3Å; Q177-D180 WeakPolarHBondContact O-CB 3.45Å; Q177-D180 PolarHBondContact O-N 2.94Å; W178-D180 PolarHBondContact O-N 2.93Å; D180-I182 PolarHBondContact O-N 3.11Å; D180-I182 VanDerWaalsContact O-N 3.07Å; D180-R183 PolarHBondContact O-N 2.89Å; D180-R183 WeakPolarHBondContact OD1-CD 3.2Å; D180-R183 IonicContact OD1-CZ 2.78Å; D180-R183 IonicContact OD1-NE 3.91Å; D180-R183 PolarHBondContact OD1-NE 3.34Å; D180-R183 IonicContact OD1-NH1 3.68Å; D180-R183 PolarHBondContact OD1-NH1 2.81Å; D180-R183 IonicContact OD2-NH1 3.66Å; D180-S188 VanDerWaalsContact OD2-CB 3.23Å; D180-S188 WeakPolarHBondContact OD2-CB 3.3Å; D180-S188 PolarHBondContact OD2-OG 2.82Å
181R61.2Low76.1Confident233 Ų23368.1 Ų68.188%0.87932%0.323SS*.G310 helixtrans-60.8-17.1166-64.1-175.9179.9-167.5-0.8113.1W178 I179W178-R181 WeakPolarHBondContact O-CB 3.31Å; W178-R181 PolarHBondContact O-N 2.8Å; I179-R181 VanDerWaalsContact C-N 3.29Å; I179-R181 PolarHBondContact O-N 3.14Å
182I63Low76.2Confident138 Ų13865.5 Ų65.571%0.70831%0.308SS*.THydrogen-bonded Turntrans-109.9-19.5-179-51.3172.4000110.9W178 I179 D180W178-I182 HydrophobicContact CZ3-CD1 4.49Å; I179-I182 PolarHBondContact O-N 2.88Å; I179-I182 VanDerWaalsContact O-N 3.12Å; D180-I182 PolarHBondContact O-N 3.11Å; D180-I182 VanDerWaalsContact O-N 3.07Å
183R75.2Confident76.6Confident105 Ų10563 Ų6340%0.39630%0.296SS..SBendtrans-76.7150.8178.5-67.6-165.7-177144.4-8111.3I179 D180I179-R183 HydrophobicContact CG2-CG 4.48Å; I179-R183 VanDerWaalsContact CG2-CZ 3.44Å; I179-R183 PolarHBondContact O-N 3.24Å; D180-R183 PolarHBondContact O-N 2.89Å; D180-R183 WeakPolarHBondContact OD1-CD 3.2Å; D180-R183 IonicContact OD1-CZ 2.78Å; D180-R183 IonicContact OD1-NE 3.91Å; D180-R183 PolarHBondContact OD1-NE 3.34Å; D180-R183 IonicContact OD1-NH1 3.68Å; D180-R183 PolarHBondContact OD1-NH1 2.81Å; D180-R183 IonicContact OD2-NH1 3.66Å
184T81.8Confident77Confident87 Ų8765.9 Ų65.953%0.53431%0.307SS..  trans-66.7146.5166.658.50000110R186 A187 S188T184-R186 PolarHBondContact O-N 3.11Å; T184-R186 VanDerWaalsContact O-N 3.16Å; T184-A187 PolarHBondContact O-N 2.97Å; T184-A187 WeakPolarHBondContact OG1-CB 3.21Å; T184-A187 PolarHBondContact OG1-N 2.85Å; T184-S188 PolarHBondContact O-N 3.28Å
185P78.9Confident77.5Confident71 Ų7166.5 Ų66.546%0.46131%0.31SS..Hα-helixtrans-51.3-41.1176.8-27.233.8000113.1A187 S188 N189 E928P185-A187 PolarHBondContact O-N 3.42Å; P185-S188 PolarHBondContact O-N 2.86Å; P185-N189 VanDerWaalsContact O-CG 3.28Å; P185-N189 PolarHBondContact O-N 3.08Å; P185-N189 PolarHBondContact O-ND2 2.82Å; P185-E928 VanDerWaalsContact CB-OE2 3.3Å; P185-E928 WeakPolarHBondContact CB-OE2 3.36Å
186R85.3Confident78.2Confident51 Ų5164.2 Ų64.219%0.19230%0.299CS..Hα-helixtrans-50.7-52.3173.5-167.1-179.2-175.8-178.23.7113A85 D113 I115 T184 N189 E190A85-R186 VanDerWaalsContact O-CZ 3.24Å; A85-R186 PolarHBondContact O-NH1 2.99Å; A85-R186 PolarHBondContact O-NH2 2.96Å; D113-R186 IonicContact OD1-CZ 2.97Å; D113-R186 IonicContact OD1-NE 3.25Å; D113-R186 PolarHBondContact OD1-NE 3.36Å; D113-R186 IonicContact OD1-NH2 3.99Å; D113-R186 PolarHBondContact OD1-NH2 3.4Å; I115-R186 HydrophobicContact CD1-CB 3.71Å; I115-R186 HydrophobicContact CD1-CG 4.19Å; I115-R186 HydrophobicContact CG1-CB 4.38Å; T184-R186 PolarHBondContact O-N 3.11Å; T184-R186 VanDerWaalsContact O-N 3.16Å; R186-N189 PolarHBondContact O-N 2.83Å; R186-E190 IonicContact NE-OE1 3.17Å; R186-E190 WeakPolarHBondContact O-CB 3.38Å; R186-E190 VanDerWaalsContact O-CG 3.28Å; R186-E190 WeakPolarHBondContact O-CG 3.21Å; R186-E190 PolarHBondContact O-N 3.04Å
187A84.8Confident79.3Confident35 Ų3560.5 Ų60.529%0.28929%0.289SS..Hα-helixtrans-68.5-34.3-176.900000112.5T184 P185 A191T184-A187 PolarHBondContact O-N 2.97Å; T184-A187 WeakPolarHBondContact OG1-CB 3.21Å; T184-A187 PolarHBondContact OG1-N 2.85Å; P185-A187 PolarHBondContact O-N 3.42Å; A187-A191 WeakPolarHBondContact O-CB 3.37Å; A187-A191 PolarHBondContact O-N 3.35Å
188S85.8Confident80.4Confident14 Ų1459.3 Ų59.310%0.09829%0.285CS..Hα-helixtrans-66.2-49174.1-1770000111.1D180 T184 P185 E190 A191 R192D180-S188 VanDerWaalsContact OD2-CB 3.23Å; D180-S188 WeakPolarHBondContact OD2-CB 3.3Å; D180-S188 PolarHBondContact OD2-OG 2.82Å; T184-S188 PolarHBondContact O-N 3.28Å; P185-S188 PolarHBondContact O-N 2.86Å; S188-E190 VanDerWaalsContact C-N 3.33Å; S188-E190 PolarHBondContact O-N 3.17Å; S188-A191 WeakPolarHBondContact O-CB 3.16Å; S188-A191 PolarHBondContact O-N 2.96Å; S188-A191 VanDerWaalsContact O-N 3.12Å; S188-R192 PolarHBondContact O-N 3.24Å
189N88.6Confident82.3Confident5 Ų550.4 Ų50.43%0.02725%0.251CS..Hα-helixtrans-57-45.7175.6-68.4-30.3000111.8T114 P185 R186 A191 R192 Q193 I926 E928 Q985T114-N189 HydrophobicContact CG2-CB 3.9Å; P185-N189 VanDerWaalsContact O-CG 3.28Å; P185-N189 PolarHBondContact O-N 3.08Å; P185-N189 PolarHBondContact O-ND2 2.82Å; R186-N189 PolarHBondContact O-N 2.83Å; N189-A191 PolarHBondContact O-N 3.27Å; N189-R192 PolarHBondContact O-N 3.17Å; N189-Q193 PolarHBondContact O-N 3.41Å; N189-I926 HydrophobicContact CB-CB 4.42Å; N189-I926 HydrophobicContact CB-CD1 4.35Å; N189-I926 HydrophobicContact CB-CG2 3.85Å; N189-I926 WeakPolarHBondContact O-CD1 3.49Å; N189-E928 PolarHBondContact ND2-OE2 3.25Å; N189-Q985 PolarHBondContact OD1-NE2 2.85Å
190E88.3Confident83.8Confident25 Ų2548 Ų4812%0.11724%0.239CC..Hα-helixtrans-65.1-37.3177.5-73.5178.4171.300112.9K88 T114 R186 S188 R194K88-E190 HydrophobicContact CD-CG 4.43Å; K88-E190 VanDerWaalsContact CE-OE2 3.29Å; K88-E190 WeakPolarHBondContact CE-OE2 3.34Å; K88-E190 VanDerWaalsContact NZ-CD 3.34Å; K88-E190 IonicContact NZ-OE1 3.18Å; K88-E190 IonicContact NZ-OE2 3.88Å; K88-E190 PolarHBondContact NZ-OE2 3.17Å; T114-E190 HydrophobicContact CG2-CG 4.19Å; R186-E190 IonicContact NE-OE1 3.17Å; R186-E190 WeakPolarHBondContact O-CB 3.38Å; R186-E190 VanDerWaalsContact O-CG 3.28Å; R186-E190 WeakPolarHBondContact O-CG 3.21Å; R186-E190 PolarHBondContact O-N 3.04Å; S188-E190 VanDerWaalsContact C-N 3.33Å; S188-E190 PolarHBondContact O-N 3.17Å; E190-R194 WeakPolarHBondContact O-CB 3.47Å; E190-R194 PolarHBondContact O-N 2.89Å
191A88.3Confident85.4Confident30 Ų3047.3 Ų47.325%0.24824%0.237CC..Hα-helixtrans-64.9-42.8175.600000111.4P174 A187 S188 N189 R194 L195P174-A191 HydrophobicContact CB-CB 4.13Å; P174-A191 HydrophobicContact CG-CB 4.44Å; A187-A191 WeakPolarHBondContact O-CB 3.37Å; A187-A191 PolarHBondContact O-N 3.35Å; S188-A191 WeakPolarHBondContact O-CB 3.16Å; S188-A191 PolarHBondContact O-N 2.96Å; S188-A191 VanDerWaalsContact O-N 3.12Å; N189-A191 PolarHBondContact O-N 3.27Å; A191-R194 PolarHBondContact O-N 3.18Å; A191-L195 WeakPolarHBondContact O-CB 3.32Å; A191-L195 PolarHBondContact O-N 3.08Å
192R89.7Confident86.8Confident10 Ų1038.8 Ų38.84%0.03821%0.207CC..Hα-helixtrans-64.6-45.8176.7-167.9178.7-167.9-173.512.3112.2D173 P174 E175 S188 N189 R194 L195 I196 I926D173-R192 WeakPolarHBondContact OD1-CD 3.46Å; D173-R192 IonicContact OD1-CZ 3.55Å; D173-R192 IonicContact OD1-NE 3.91Å; D173-R192 PolarHBondContact OD1-NE 3.31Å; D173-R192 IonicContact OD2-CZ 3.51Å; D173-R192 IonicContact OD2-NE 2.64Å; D173-R192 PolarHBondContact OD2-NE 2.89Å; D173-R192 IonicContact OD2-NH2 2.67Å; D173-R192 PolarHBondContact OD2-NH2 3.01Å; P174-R192 HydrophobicContact CG-CB 4.47Å; E175-R192 IonicContact OE2-CZ 2.77Å; E175-R192 IonicContact OE2-NE 2.85Å; E175-R192 IonicContact OE2-NH1 2.64Å; E175-R192 PolarHBondContact OE2-NH1 3.49Å; E175-R192 IonicContact OE2-NH2 3.5Å; E175-R192 PolarHBondContact OE2-NH2 3.47Å; S188-R192 PolarHBondContact O-N 3.24Å; N189-R192 PolarHBondContact O-N 3.17Å; R192-R194 VanDerWaalsContact C-N 3.31Å; R192-R194 PolarHBondContact O-N 3.06Å; R192-L195 PolarHBondContact O-N 3.5Å; R192-I196 HydrophobicContact CG-CD1 4.04Å; R192-I196 WeakPolarHBondContact O-CG1 3.14Å; R192-I196 PolarHBondContact O-N 2.97Å; R192-I926 HydrophobicContact CB-CD1 3.92Å; R192-I926 HydrophobicContact CG-CD1 4.18Å
193Q90.6Very high88.2Confident11 Ų1132.2 Ų32.25%0.05117%0.174CC..Hα-helixtrans-60.3-40.9176-174.9173.34.200112Y90 N189 S197 F924 I926Y90-Q193 HydrophobicContact CE2-CG 4.24Å; N189-Q193 PolarHBondContact O-N 3.41Å; Q193-S197 PolarHBondContact O-N 3.23Å; Q193-S197 PolarHBondContact O-OG 3.15Å; Q193-F924 HydrophobicContact CB-CD1 4.49Å; Q193-F924 HydrophobicContact CG-CD1 4.25Å; Q193-F924 PolarHBondContact NE2-O 2.93Å; Q193-I926 HydrophobicContact CB-CD1 4.19Å
194R90.7Very high89Confident65 Ų6527.4 Ų27.425%0.24516%0.156CC..Hα-helixtrans-63.7-49.6175.1-176178-179.6-140.4-7.3111E68 E190 A191 R192 I196 S197 L198E68-R194 IonicContact OE1-NH2 3.87Å; E68-R194 PolarHBondContact OE1-NH2 2.92Å; E68-R194 IonicContact OE2-CZ 2.76Å; E68-R194 IonicContact OE2-NE 3Å; E68-R194 IonicContact OE2-NH2 3.98Å; E68-R194 PolarHBondContact OE2-NH2 2.92Å; E190-R194 WeakPolarHBondContact O-CB 3.47Å; E190-R194 PolarHBondContact O-N 2.89Å; A191-R194 PolarHBondContact O-N 3.18Å; R192-R194 VanDerWaalsContact C-N 3.31Å; R192-R194 PolarHBondContact O-N 3.06Å; R194-I196 VanDerWaalsContact C-N 3.29Å; R194-I196 PolarHBondContact O-N 3.29Å; R194-S197 WeakPolarHBondContact O-CB 3.39Å; R194-S197 PolarHBondContact O-N 3.06Å; R194-S197 VanDerWaalsContact O-N 3.12Å; R194-L198 HydrophobicContact CG-CD1 4.24Å; R194-L198 HydrophobicContact CG-CG 4.46Å; R194-L198 WeakPolarHBondContact O-CG 3.42Å; R194-L198 PolarHBondContact O-N 3.24Å
195L91.3Very high89.5Confident24 Ų2424.3 Ų24.313%0.12613%0.134CC..Hα-helixtrans-56.4-44.8-179.8178.964.9000112N171 E172 P174 A191 R192 S197 L198 M199 L234N171-L195 HydrophobicContact CB-CD1 4.42Å; N171-L195 HydrophobicContact CB-CD2 4.38Å; E172-L195 WeakPolarHBondContact O-CD2 3.46Å; P174-L195 VanDerWaalsContact CD-CD2 3.49Å; P174-L195 HydrophobicContact CG-CB 4.35Å; P174-L195 HydrophobicContact CG-CD2 3.86Å; A191-L195 WeakPolarHBondContact O-CB 3.32Å; A191-L195 PolarHBondContact O-N 3.08Å; R192-L195 PolarHBondContact O-N 3.5Å; L195-S197 VanDerWaalsContact C-N 3.28Å; L195-S197 PolarHBondContact O-N 3.28Å; L195-L198 WeakPolarHBondContact O-CB 3.34Å; L195-L198 PolarHBondContact O-N 2.79Å; L195-L198 VanDerWaalsContact O-N 3.15Å; L195-M199 HydrophobicContact CD1-CG 4.21Å; L195-M199 HydrophobicContact CD1-SD 4.26Å; L195-M199 HydrophobicContact CD2-SD 4.36Å; L195-M199 HydrophobicContact CG-CG 4.36Å; L195-M199 HydrophobicContact CG-SD 3.99Å; L195-M199 WeakPolarHBondContact O-CG 3.48Å; L195-M199 PolarHBondContact O-N 3.5Å; L195-L234 HydrophobicContact CD2-CD2 4.33Å
196I91.1Very high90.1Very high2 Ų223.9 Ų23.91%0.0113%0.125CC..Hα-helixtrans-62.2-38.3179.4-77168.6000111.7R192 R194 S200 F226 L234 F924R192-I196 HydrophobicContact CG-CD1 4.04Å; R192-I196 WeakPolarHBondContact O-CG1 3.14Å; R192-I196 PolarHBondContact O-N 2.97Å; R194-I196 VanDerWaalsContact C-N 3.29Å; R194-I196 PolarHBondContact O-N 3.29Å; I196-S200 VanDerWaalsContact O-CB 3.31Å; I196-S200 WeakPolarHBondContact O-CB 3.4Å; I196-S200 PolarHBondContact O-N 2.64Å; I196-F226 HydrophobicContact CG2-CD1 3.89Å; I196-F226 HydrophobicContact CG2-CE1 3.49Å; I196-F226 VanDerWaalsContact CG2-CE1 3.49Å; I196-F226 HydrophobicContact CG2-CZ 4.11Å; I196-L234 HydrophobicContact CD1-CD1 4.46Å; I196-L234 HydrophobicContact CD1-CD2 4Å; I196-L234 HydrophobicContact CG1-CD1 4.46Å; I196-L234 HydrophobicContact CG1-CD2 3.33Å; I196-F924 HydrophobicContact CB-CD1 4.2Å; I196-F924 HydrophobicContact CB-CE1 4.39Å; I196-F924 HydrophobicContact CB-CG 4.41Å; I196-F924 HydrophobicContact CD1-CD1 3.88Å; I196-F924 HydrophobicContact CD1-CD2 4.31Å; I196-F924 HydrophobicContact CD1-CE1 3.23Å; I196-F924 HydrophobicContact CD1-CE2 3.72Å; I196-F924 HydrophobicContact CD1-CG 4.34Å; I196-F924 HydrophobicContact CD1-CZ 3.07Å; I196-F924 HydrophobicContact CG1-CE1 4.35Å; I196-F924 HydrophobicContact CG1-CZ 4.38Å; I196-F924 HydrophobicContact CG2-CB 3.78Å; I196-F924 HydrophobicContact CG2-CD1 3.88Å; I196-F924 HydrophobicContact CG2-CD2 3.92Å; I196-F924 HydrophobicContact CG2-CE1 4.35Å; I196-F924 HydrophobicContact CG2-CE2 4.37Å; I196-F924 HydrophobicContact CG2-CG 3.6Å
197S91Very high90.5Very high33 Ų3321.4 Ų21.423%0.23112%0.116CC..Hα-helixtrans-65.1-42.7175.2-540000111.3Q193 R194 L195 S200 G201Q193-S197 PolarHBondContact O-N 3.23Å; Q193-S197 PolarHBondContact O-OG 3.15Å; R194-S197 WeakPolarHBondContact O-CB 3.39Å; R194-S197 PolarHBondContact O-N 3.06Å; R194-S197 VanDerWaalsContact O-N 3.12Å; L195-S197 VanDerWaalsContact C-N 3.28Å; L195-S197 PolarHBondContact O-N 3.28Å; S197-S200 WeakPolarHBondContact O-CB 3.41Å; S197-S200 PolarHBondContact O-N 3.02Å; S197-G201 PolarHBondContact O-N 2.9Å
198L91.9Very high90.9Very high37 Ų3719.8 Ų19.819%0.19410%0.102CC..Hα-helixtrans-62.1-50177.1-64173.4000112.2D67 E68 R194 L195 S200 G201 E202D67-L198 WeakPolarHBondContact O-CD2 3.43Å; E68-L198 HydrophobicContact CB-CD2 4.31Å; E68-L198 HydrophobicContact CG-CD2 3.81Å; E68-L198 VanDerWaalsContact OE1-CD2 3.3Å; E68-L198 WeakPolarHBondContact OE1-CD2 3.32Å; E68-L198 WeakPolarHBondContact OE2-CD2 3.48Å; R194-L198 HydrophobicContact CG-CD1 4.24Å; R194-L198 HydrophobicContact CG-CG 4.46Å; R194-L198 WeakPolarHBondContact O-CG 3.42Å; R194-L198 PolarHBondContact O-N 3.24Å; L195-L198 WeakPolarHBondContact O-CB 3.34Å; L195-L198 PolarHBondContact O-N 2.79Å; L195-L198 VanDerWaalsContact O-N 3.15Å; L198-S200 PolarHBondContact O-N 2.67Å; L198-G201 PolarHBondContact O-N 3.13Å; L198-E202 PolarHBondContact O-N 3.05Å
199M92Very high91.1Very high1 Ų120.9 Ų20.91%0.00511%0.107CC..Hα-helixtrans-62.5-30.9177.3-67.8178.375.500111.6V169 N171 L195 L203 L234 V236V169-M199 HydrophobicContact CB-CE 4.14Å; V169-M199 HydrophobicContact CG1-CE 3.84Å; V169-M199 HydrophobicContact CG1-CG 4.35Å; V169-M199 WeakPolarHBondContact O-CE 3.47Å; N171-M199 HydrophobicContact CB-CE 3.67Å; N171-M199 HydrophobicContact CB-CG 4.39Å; N171-M199 HydrophobicContact CB-SD 3.5Å; N171-M199 VanDerWaalsContact CB-SD 3.5Å; L195-M199 HydrophobicContact CD1-CG 4.21Å; L195-M199 HydrophobicContact CD1-SD 4.26Å; L195-M199 HydrophobicContact CD2-SD 4.36Å; L195-M199 HydrophobicContact CG-CG 4.36Å; L195-M199 HydrophobicContact CG-SD 3.99Å; L195-M199 WeakPolarHBondContact O-CG 3.48Å; L195-M199 PolarHBondContact O-N 3.5Å; M199-L203 WeakPolarHBondContact O-CB 3.3Å; M199-L203 PolarHBondContact O-N 3.1Å; M199-L203 VanDerWaalsContact O-N 3.08Å; M199-L234 HydrophobicContact CE-CD2 4.47Å; M199-L234 HydrophobicContact CE-CG 4.41Å; M199-L234 HydrophobicContact SD-CD2 3.55Å; M199-L234 VanDerWaalsContact SD-CD2 3.55Å; M199-L234 HydrophobicContact SD-CG 4.11Å; M199-V236 HydrophobicContact CB-CB 4.32Å; M199-V236 HydrophobicContact CB-CG2 3.81Å; M199-V236 HydrophobicContact CE-CB 4.22Å; M199-V236 HydrophobicContact CE-CG2 3.65Å; M199-V236 HydrophobicContact SD-CG2 3.98Å
200S92.3Very high91.2Very high10 Ų1024 Ų247%0.0712%0.12CC..Hα-helixtrans-68-44.5175.8-170.80000112.3I196 S197 L198 L203 Q204 Q224 N922I196-S200 VanDerWaalsContact O-CB 3.31Å; I196-S200 WeakPolarHBondContact O-CB 3.4Å; I196-S200 PolarHBondContact O-N 2.64Å; S197-S200 WeakPolarHBondContact O-CB 3.41Å; S197-S200 PolarHBondContact O-N 3.02Å; L198-S200 PolarHBondContact O-N 2.67Å; S200-L203 PolarHBondContact O-N 3.26Å; S200-Q204 WeakPolarHBondContact O-CG 3.21Å; S200-Q204 PolarHBondContact O-N 2.8Å; S200-Q224 VanDerWaalsContact CA-NE2 3.32Å; S200-Q224 PolarHBondContact OG-NE2 3.32Å; S200-Q224 PolarHBondContact OG-OE1 3.22Å; S200-N922 PolarHBondContact OG-ND2 3.28Å
201G91.1Very high91.4Very high6 Ų622.8 Ų22.86%0.06211%0.114CC..Hα-helixtrans-63.4-48.117500000112.4Q66 S197 L198 L203 Q204 R205Q66-G201 VanDerWaalsContact O-CA 3.27Å; Q66-G201 WeakPolarHBondContact O-CA 3.47Å; S197-G201 PolarHBondContact O-N 2.9Å; L198-G201 PolarHBondContact O-N 3.13Å; G201-L203 VanDerWaalsContact C-N 3.29Å; G201-L203 PolarHBondContact O-N 2.96Å; G201-Q204 PolarHBondContact O-N 3.44Å; G201-R205 PolarHBondContact O-N 3.24Å
202E91.6Very high91.5Very high54 Ų5424.5 Ų24.525%0.25212%0.119SC..Hα-helixtrans-56.4-44.3177.3-175.5-172.9165.600111.7D67 V169 L198 R205 K206D67-E202 WeakPolarHBondContact OD1-CA 3.47Å; D67-E202 PolarHBondContact OD1-N 2.9Å; V169-E202 HydrophobicContact CG2-CG 4.38Å; L198-E202 PolarHBondContact O-N 3.05Å; E202-R205 PolarHBondContact O-N 3.19Å; E202-K206 HydrophobicContact CG-CD 4.47Å; E202-K206 WeakPolarHBondContact O-CG 3.04Å; E202-K206 PolarHBondContact O-N 3.48Å; E202-K206 WeakPolarHBondContact OE1-CE 3.49Å; E202-K206 IonicContact OE1-NZ 2.72Å; E202-K206 PolarHBondContact OE1-NZ 3.18Å
203L92.8Very high91.5Very high0 Ų031.7 Ų31.70%015%0.153CC..Hα-helixtrans-64.2-46.4178.6-176.773.3000112.2E167 V169 M199 S200 G201 R205 K206 I207 Q224 V236 A238E167-L203 HydrophobicContact CB-CD1 3.55Å; E167-L203 HydrophobicContact CG-CD1 3.68Å; E167-L203 WeakPolarHBondContact O-CD1 3.35Å; V169-L203 HydrophobicContact CG2-CB 4.15Å; V169-L203 HydrophobicContact CG2-CD1 3.97Å; M199-L203 WeakPolarHBondContact O-CB 3.3Å; M199-L203 PolarHBondContact O-N 3.1Å; M199-L203 VanDerWaalsContact O-N 3.08Å; S200-L203 PolarHBondContact O-N 3.26Å; G201-L203 VanDerWaalsContact C-N 3.29Å; G201-L203 PolarHBondContact O-N 2.96Å; L203-R205 VanDerWaalsContact C-N 3.31Å; L203-R205 PolarHBondContact O-N 3.38Å; L203-K206 PolarHBondContact O-N 3.31Å; L203-I207 HydrophobicContact CD1-CD1 4.38Å; L203-I207 HydrophobicContact CG-CD1 4.17Å; L203-I207 WeakPolarHBondContact O-CG1 3.39Å; L203-I207 PolarHBondContact O-N 2.85Å; L203-Q224 HydrophobicContact CD2-CG 4.11Å; L203-V236 HydrophobicContact CD2-CG1 3.81Å; L203-A238 HydrophobicContact CD2-CB 3.46Å; L203-A238 VanDerWaalsContact CD2-CB 3.46Å; L203-A238 HydrophobicContact CG-CB 4.09Å
204Q92.4Very high91.4Very high4 Ų434.7 Ų34.72%0.01917%0.168CC..Hα-helixtrans-61.5-41.8176.8-74.9-175.352.700111F146 S200 G201 I207 G208 Y222F146-Q204 HydrophobicContact CE2-CB 4.44Å; F146-Q204 HydrophobicContact CZ-CB 4.29Å; F146-Q204 WeakPolarHBondContact CZ-O 3.44Å; S200-Q204 WeakPolarHBondContact O-CG 3.21Å; S200-Q204 PolarHBondContact O-N 2.8Å; G201-Q204 PolarHBondContact O-N 3.44Å; Q204-I207 PolarHBondContact O-N 3.45Å; Q204-G208 PolarHBondContact O-N 3.23Å; Q204-Y222 HydrophobicContact CG-CE1 4.48Å; Q204-Y222 VanDerWaalsContact CG-OH 3.29Å; Q204-Y222 WeakPolarHBondContact CG-OH 3.43Å
205R90.8Very high91.2Very high22 Ų2233.9 Ų33.98%0.08318%0.18CC..Hα-helixtrans-59.2-51.7175.8-178.5172.457.192.5-4.2112E63 Q66 D67 S141 G201 E202 L203 I207 G208 L209E63-R205 IonicContact OE1-CZ 3.1Å; E63-R205 IonicContact OE1-NH1 2.81Å; E63-R205 PolarHBondContact OE1-NH1 2.93Å; E63-R205 VanDerWaalsContact OE1-NH1 3.15Å; E63-R205 IonicContact OE1-NH2 2.79Å; E63-R205 PolarHBondContact OE1-NH2 3.15Å; Q66-R205 HydrophobicContact CB-CB 4.33Å; D67-R205 IonicContact OD1-CZ 3.17Å; D67-R205 IonicContact OD1-NE 3.14Å; D67-R205 PolarHBondContact OD1-NE 2.89Å; D67-R205 IonicContact OD1-NH2 2.79Å; D67-R205 IonicContact OD2-CZ 2.7Å; D67-R205 IonicContact OD2-NE 2.78Å; D67-R205 PolarHBondContact OD2-NE 3.1Å; D67-R205 IonicContact OD2-NH2 3.15Å; D67-R205 PolarHBondContact OD2-NH2 2.87Å; S141-R205 WeakPolarHBondContact CB-O 3.41Å; S141-R205 WeakPolarHBondContact OG-CA 3.41Å; G201-R205 PolarHBondContact O-N 3.24Å; E202-R205 PolarHBondContact O-N 3.19Å; L203-R205 VanDerWaalsContact C-N 3.31Å; L203-R205 PolarHBondContact O-N 3.38Å; R205-I207 PolarHBondContact O-N 2.83Å; R205-G208 PolarHBondContact O-N 2.83Å; R205-L209 WeakPolarHBondContact O-CG 3.12Å; R205-L209 PolarHBondContact O-N 2.91Å
206K92.3Very high91.2Very high62 Ų6233 Ų3327%0.2718%0.176SC..Hα-helixtrans-59.6-45.6179.1-73.6179.1-174.4172.30112.8E167 E202 L203 G208 L209 K210E167-K206 HydrophobicContact CG-CB 3.78Å; E167-K206 HydrophobicContact CG-CD 3.93Å; E202-K206 HydrophobicContact CG-CD 4.47Å; E202-K206 WeakPolarHBondContact O-CG 3.04Å; E202-K206 PolarHBondContact O-N 3.48Å; E202-K206 WeakPolarHBondContact OE1-CE 3.49Å; E202-K206 IonicContact OE1-NZ 2.72Å; E202-K206 PolarHBondContact OE1-NZ 3.18Å; L203-K206 PolarHBondContact O-N 3.31Å; K206-G208 VanDerWaalsContact C-N 3.33Å; K206-G208 PolarHBondContact O-N 2.89Å; K206-L209 PolarHBondContact O-N 3.37Å; K206-K210 PolarHBondContact O-N 3.38Å; K206-K210 VanDerWaalsContact O-N 3.16Å
207I93.5Very high91.2Very high0 Ų035.3 Ų35.30%019%0.189CC..Hα-helixtrans-61.9-43.8175.6-70.4174.6000110.6F146 V165 E167 L203 Q204 R205 L209 K210 V211 V219 Y222 A238F146-I207 HydrophobicContact CE1-CB 4.25Å; F146-I207 HydrophobicContact CE1-CG2 3.84Å; F146-I207 HydrophobicContact CZ-CG2 4.43Å; V165-I207 HydrophobicContact CB-CG2 4.17Å; V165-I207 HydrophobicContact CG2-CG2 4.03Å; E167-I207 HydrophobicContact CB-CD1 3.94Å; E167-I207 HydrophobicContact CB-CG1 3.45Å; E167-I207 VanDerWaalsContact CB-CG1 3.45Å; L203-I207 HydrophobicContact CD1-CD1 4.38Å; L203-I207 HydrophobicContact CG-CD1 4.17Å; L203-I207 WeakPolarHBondContact O-CG1 3.39Å; L203-I207 PolarHBondContact O-N 2.85Å; Q204-I207 PolarHBondContact O-N 3.45Å; R205-I207 PolarHBondContact O-N 2.83Å; I207-L209 VanDerWaalsContact C-N 3.3Å; I207-L209 PolarHBondContact O-N 3.03Å; I207-K210 WeakPolarHBondContact O-CB 3.27Å; I207-K210 PolarHBondContact O-N 3.07Å; I207-V211 HydrophobicContact CG2-CG2 4.33Å; I207-V211 VanDerWaalsContact O-CG2 3.24Å; I207-V211 WeakPolarHBondContact O-CG2 3.31Å; I207-V211 PolarHBondContact O-N 2.84Å; I207-V219 HydrophobicContact CG2-CG2 4.03Å; I207-Y222 HydrophobicContact CD1-CE2 3.94Å; I207-A238 HydrophobicContact CD1-CB 3.54Å
208G92.3Very high91.3Very high0 Ų033.8 Ų33.80%018%0.178CC..Hα-helixtrans-63.3-35.5179.700000112.8S141 Q204 R205 K206 V211 L212S141-G208 VanDerWaalsContact CB-C 3.45Å; S141-G208 VanDerWaalsContact CB-CA 3.48Å; Q204-G208 PolarHBondContact O-N 3.23Å; R205-G208 PolarHBondContact O-N 2.83Å; K206-G208 VanDerWaalsContact C-N 3.33Å; K206-G208 PolarHBondContact O-N 2.89Å; G208-V211 WeakPolarHBondContact O-CB 3.18Å; G208-V211 PolarHBondContact O-N 2.89Å; G208-L212 WeakPolarHBondContact O-CG 3.43Å; G208-L212 PolarHBondContact O-N 3.48Å
209L90.5Very high91.4Very high38 Ų3832 Ų3220%0.19917%0.169CC..Hα-helixtrans-62.3-47.5172-69.9172.8000111.5R138 R205 K206 I207 V211 L212 E213R138-L209 WeakPolarHBondContact O-CD2 3.14Å; R205-L209 WeakPolarHBondContact O-CG 3.12Å; R205-L209 PolarHBondContact O-N 2.91Å; K206-L209 PolarHBondContact O-N 3.37Å; I207-L209 VanDerWaalsContact C-N 3.3Å; I207-L209 PolarHBondContact O-N 3.03Å; L209-V211 VanDerWaalsContact C-N 3.26Å; L209-V211 PolarHBondContact O-N 3.11Å; L209-L212 PolarHBondContact O-N 3.09Å; L209-L212 VanDerWaalsContact O-N 3.11Å; L209-E213 WeakPolarHBondContact O-CG 3.39Å; L209-E213 PolarHBondContact O-N 3.39Å
210K91.9Very high91.6Very high69 Ų6932 Ų3230%0.317%0.169SC..Hα-helixtrans-56.4-39.2174.6-72.6173.8165.8170.80112.2E166 E167 K206 I207 E213 M214E166-K210 PolarHBondContact O-NZ 3.19Å; E167-K210 VanDerWaalsContact CD-NZ 3.27Å; E167-K210 IonicContact OE1-NZ 3.88Å; E167-K210 PolarHBondContact OE1-NZ 3.26Å; E167-K210 WeakPolarHBondContact OE2-CE 3.19Å; E167-K210 IonicContact OE2-NZ 2.87Å; E167-K210 PolarHBondContact OE2-NZ 2.92Å; K206-K210 PolarHBondContact O-N 3.38Å; K206-K210 VanDerWaalsContact O-N 3.16Å; I207-K210 WeakPolarHBondContact O-CB 3.27Å; I207-K210 PolarHBondContact O-N 3.07Å; K210-E213 PolarHBondContact O-N 2.82Å; K210-M214 HydrophobicContact CB-CE 4.49Å; K210-M214 WeakPolarHBondContact O-CE 3.36Å; K210-M214 PolarHBondContact O-N 2.85Å; K210-M214 VanDerWaalsContact O-N 3.12Å
211V92.5Very high91.6Very high0 Ų031.7 Ų31.70%017%0.167CC..Hα-helixtrans-65.5-43.4176.9175.50000111.5V144 V165 I207 G208 L209 E213 M214 G215 G216 V219 A242V144-V211 HydrophobicContact CG1-CB 4.3Å; V144-V211 HydrophobicContact CG1-CG1 4.06Å; V165-V211 HydrophobicContact CG1-CG2 3.86Å; V165-V211 HydrophobicContact CG2-CG2 4.41Å; I207-V211 HydrophobicContact CG2-CG2 4.33Å; I207-V211 VanDerWaalsContact O-CG2 3.24Å; I207-V211 WeakPolarHBondContact O-CG2 3.31Å; I207-V211 PolarHBondContact O-N 2.84Å; G208-V211 WeakPolarHBondContact O-CB 3.18Å; G208-V211 PolarHBondContact O-N 2.89Å; L209-V211 VanDerWaalsContact C-N 3.26Å; L209-V211 PolarHBondContact O-N 3.11Å; V211-E213 VanDerWaalsContact C-N 3.35Å; V211-M214 PolarHBondContact O-N 3.03Å; V211-G215 PolarHBondContact O-N 2.98Å; V211-G216 WeakPolarHBondContact O-CA 3.29Å; V211-G216 PolarHBondContact O-N 3.2Å; V211-V219 HydrophobicContact CG2-CG2 3.37Å; V211-A242 HydrophobicContact CG1-CB 4.36Å; V211-A242 HydrophobicContact CG2-CB 4.15Å
212L89.8Confident91.8Very high66 Ų6631.7 Ų31.735%0.34617%0.165SC..Hα-helixtrans-65.5-38.5177.3-70.3172.4000111.7V144 G208 L209 M214 G215V144-L212 HydrophobicContact CG2-CD1 4.03Å; V144-L212 HydrophobicContact CG2-CD2 3.71Å; V144-L212 HydrophobicContact CG2-CG 3.57Å; G208-L212 WeakPolarHBondContact O-CG 3.43Å; G208-L212 PolarHBondContact O-N 3.48Å; L209-L212 PolarHBondContact O-N 3.09Å; L209-L212 VanDerWaalsContact O-N 3.11Å; L212-M214 VanDerWaalsContact C-N 3.26Å; L212-M214 PolarHBondContact O-N 3.42Å; L212-G215 PolarHBondContact O-N 2.79Å
213E89.3Confident91.8Very high162 Ų16231.4 Ų31.476%0.75717%0.165SC*.Hα-helixtrans-60.9-35.9174-72.717617700112.1L209 K210 V211 G215L209-E213 WeakPolarHBondContact O-CG 3.39Å; L209-E213 PolarHBondContact O-N 3.39Å; K210-E213 PolarHBondContact O-N 2.82Å; V211-E213 VanDerWaalsContact C-N 3.35Å; E213-G215 PolarHBondContact O-N 3.19Å
214M88.3Confident91.8Very high73 Ų7331.5 Ų31.536%0.3617%0.166SC..THydrogen-bonded Turntrans-75.2-7.1171.9-74.2-172.8-9200114.3H162 V165 K210 V211 L212 G216 A242H162-M214 HydrophobicContact CB-CB 4.22Å; H162-M214 HydrophobicContact CB-SD 4.27Å; H162-M214 PolarHBondContact CE1-O 2.82Å; H162-M214 PolarHBondContact ND1-O 3.23Å; V165-M214 HydrophobicContact CG1-CE 3.09Å; K210-M214 HydrophobicContact CB-CE 4.49Å; K210-M214 WeakPolarHBondContact O-CE 3.36Å; K210-M214 PolarHBondContact O-N 2.85Å; K210-M214 VanDerWaalsContact O-N 3.12Å; V211-M214 PolarHBondContact O-N 3.03Å; L212-M214 VanDerWaalsContact C-N 3.26Å; L212-M214 PolarHBondContact O-N 3.42Å; M214-G216 VanDerWaalsContact C-N 3.34Å; M214-A242 HydrophobicContact CE-CB 4.1Å; M214-A242 HydrophobicContact SD-CB 4.47Å
215G87.7Confident91.7Very high48 Ų4832.1 Ų32.150%0.49517%0.17SC..THydrogen-bonded Turntrans77.417.8-175.100000114.2H162 V211 L212 E213 T244H162-G215 PolarHBondContact NE2-O 2.91Å; V211-G215 PolarHBondContact O-N 2.98Å; L212-G215 PolarHBondContact O-N 2.79Å; E213-G215 PolarHBondContact O-N 3.19Å; G215-T244 PolarHBondContact O-OG1 3.34Å
216G89.6Confident91.7Very high5 Ų531.6 Ų31.65%0.05217%0.169CC..  trans-83.1166.8172.200000112.9H162 V211 M214H162-G216 VanDerWaalsContact CD2-CA 3.48Å; H162-G216 WeakPolarHBondContact CD2-CA 3.45Å; H162-G216 PolarHBondContact NE2-N 2.7Å; V211-G216 WeakPolarHBondContact O-CA 3.29Å; V211-G216 PolarHBondContact O-N 3.2Å; M214-G216 VanDerWaalsContact C-N 3.34Å
217N91.4Very high91.5Very high52 Ų5229.1 Ų29.128%0.27816%0.159SC..  trans-130.72.3174.171.5-7.1000113.4V144 K145 C243 T244 L245V144-N217 WeakPolarHBondContact CA-O 3.21Å; K145-N217 PolarHBondContact N-O 3.5Å; N217-C243 PolarHBondContact N-O 2.9Å; N217-C243 PolarHBondContact OD1-O 2.94Å; N217-T244 VanDerWaalsContact OD1-CA 3.31Å; N217-T244 WeakPolarHBondContact OD1-CA 3.34Å; N217-L245 PolarHBondContact ND2-O 3.4Å; N217-L245 PolarHBondContact OD1-N 2.9Å
218A92.8Very high91.2Very high0 Ų030.9 Ų30.90%017%0.168CC..EExtended strand (participates in β ladder)trans-152.6153.3179.500000112.2K145 C243 L245K145-A218 HydrophobicContact CB-CB 4.04Å; K145-A218 CarbonylContact O-C 3.53Å; K145-A218 WeakPolarHBondContact O-CA 3.47Å; A218-C243 PolarHBondContact N-O 2.91Å; A218-C243 PolarHBondContact O-N 2.94Å; A218-L245 HydrophobicContact CB-CD1 3.53Å; A218-L245 HydrophobicContact CB-CG 3.79Å
219V95.1Very high90.9Very high0 Ų031.2 Ų31.20%017%0.169CC..EExtended strand (participates in β ladder)trans-113.3117.5167-172.70000108V144 K145 F146 L147 V165 I207 V211 Y222 T241V144-V219 HydrophobicContact CG1-CG2 4.23Å; K145-V219 PolarHBondContact O-N 3.12Å; F146-V219 HydrophobicContact CD1-CB 3.96Å; F146-V219 HydrophobicContact CD1-CG2 3.99Å; F146-V219 HydrophobicContact CE1-CB 4.21Å; F146-V219 HydrophobicContact CE1-CG2 3.73Å; F146-V219 HydrophobicContact CZ-CG2 4.38Å; L147-V219 PolarHBondContact N-O 2.76Å; V165-V219 HydrophobicContact CG2-CG1 3.82Å; V165-V219 HydrophobicContact CG2-CG2 4.29Å; I207-V219 HydrophobicContact CG2-CG2 4.03Å; V211-V219 HydrophobicContact CG2-CG2 3.37Å; V219-Y222 HydrophobicContact CG1-CD2 4.04Å; V219-T241 WeakPolarHBondContact CA-O 3.36Å
220V94.7Very high90.4Very high1 Ų130.3 Ų30.31%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-107144.7179.2-1720000109.2L147 T149 S151 Y222 T241 C243 L245 T352 L353L147-V220 HydrophobicContact CD1-CG2 4.33Å; T149-V220 WeakPolarHBondContact O-CG1 3.41Å; S151-V220 VanDerWaalsContact O-CG1 3.28Å; S151-V220 WeakPolarHBondContact O-CG1 3.45Å; V220-Y222 VanDerWaalsContact C-N 3.27Å; V220-Y222 PolarHBondContact O-N 3.27Å; V220-T241 PolarHBondContact N-O 3.45Å; V220-T241 WeakPolarHBondContact O-CB 3.19Å; V220-T241 PolarHBondContact O-N 2.76Å; V220-C243 HydrophobicContact CG2-CB 4.2Å; V220-L245 HydrophobicContact CG2-CD1 4.12Å; V220-L245 HydrophobicContact CG2-CD2 4.48Å; V220-T352 PolarHBondContact O-OG1 3.47Å; V220-L353 HydrophobicContact CB-CD2 4.01Å; V220-L353 HydrophobicContact CG1-CD2 3.44Å; V220-L353 VanDerWaalsContact CG1-CD2 3.44Å
221G93.4Very high89.4Confident3 Ų335.5 Ų35.53%0.03119%0.194CC..EExtended strand (participates in β ladder)trans60.340.7-170.800000111.3L147 T149 L223 T352L147-G221 PolarHBondContact O-N 2.81Å; L147-G221 VanDerWaalsContact O-N 3.12Å; T149-G221 WeakPolarHBondContact O-CA 3.5Å; T149-G221 PolarHBondContact O-N 3.46Å; G221-L223 PolarHBondContact O-N 3.06Å; G221-T352 WeakPolarHBondContact O-CB 3.47Å; G221-T352 PolarHBondContact O-OG1 2.63Å
222Y95.3Very high88.5Confident6 Ų636.9 Ų36.92%0.02420%0.204CC..EExtended strand (participates in β ladder)trans-66.8123176.3177.8-102.1000109.8F146 L147 Q204 I207 V219 V220 Q224 A238 I239 I920F146-Y222 AromaticContact CD1-CD2 3.66Å; F146-Y222 HydrophobicContact CD1-CD2 3.66Å; F146-Y222 AromaticContact CD1-CE2 3.82Å; F146-Y222 HydrophobicContact CD1-CE2 3.82Å; F146-Y222 HydrophobicContact CD1-CG 4.02Å; F146-Y222 HydrophobicContact CE1-CD2 4.16Å; F146-Y222 HydrophobicContact CE1-CE2 4.04Å; L147-Y222 WeakPolarHBondContact O-CB 3.42Å; L147-Y222 PolarHBondContact O-N 3.36Å; Q204-Y222 HydrophobicContact CG-CE1 4.48Å; Q204-Y222 VanDerWaalsContact CG-OH 3.29Å; Q204-Y222 WeakPolarHBondContact CG-OH 3.43Å; I207-Y222 HydrophobicContact CD1-CE2 3.94Å; V219-Y222 HydrophobicContact CG1-CD2 4.04Å; V220-Y222 VanDerWaalsContact C-N 3.27Å; V220-Y222 PolarHBondContact O-N 3.27Å; Y222-Q224 HydrophobicContact CE1-CB 3.92Å; Y222-Q224 PolarHBondContact OH-OE1 2.72Å; Y222-A238 HydrophobicContact CD2-CB 4.47Å; Y222-A238 HydrophobicContact CE2-CB 3.58Å; Y222-I239 WeakPolarHBondContact CA-O 3.48Å; Y222-I920 HydrophobicContact CD1-CD1 3.42Å; Y222-I920 VanDerWaalsContact CD1-CD1 3.42Å; Y222-I920 HydrophobicContact CE1-CD1 3.8Å; Y222-I920 HydrophobicContact CG-CD1 4.5Å
223L91.9Very high88.2Confident48 Ų4833.8 Ų33.825%0.25119%0.188SC..EExtended strand (participates in β ladder)trans-129.5106-176.3-173.986.1000109.3G221 A238 I239 K971G221-L223 PolarHBondContact O-N 3.06Å; L223-A238 WeakPolarHBondContact O-CA 3.19Å; L223-I239 HydrophobicContact CB-CG1 3.86Å; L223-I239 HydrophobicContact CD2-CD1 3.93Å; L223-I239 HydrophobicContact CD2-CG1 4.05Å; L223-I239 PolarHBondContact N-O 3.3Å; L223-I239 PolarHBondContact O-N 2.84Å; L223-K971 HydrophobicContact CD1-CD 4.22Å
224Q92.4Very high88.1Confident2 Ų226.1 Ų26.11%0.00915%0.152CC..EExtended strand (participates in β ladder)trans-96.2133.8171.1-173.316110.600112.9S200 L203 Y222 F226 V236 R237 A238 N922 K971S200-Q224 VanDerWaalsContact CA-NE2 3.32Å; S200-Q224 PolarHBondContact OG-NE2 3.32Å; S200-Q224 PolarHBondContact OG-OE1 3.22Å; L203-Q224 HydrophobicContact CD2-CG 4.11Å; Y222-Q224 HydrophobicContact CE1-CB 3.92Å; Y222-Q224 PolarHBondContact OH-OE1 2.72Å; Q224-F226 HydrophobicContact CG-CE2 4.06Å; Q224-F226 HydrophobicContact CG-CZ 3.95Å; Q224-V236 HydrophobicContact CG-CG1 4.04Å; Q224-R237 CarbonylContact C-O 3.49Å; Q224-R237 WeakPolarHBondContact CA-O 3.11Å; Q224-A238 HydrophobicContact CB-CB 4.11Å; Q224-A238 HydrophobicContact CG-CB 4.34Å; Q224-N922 PolarHBondContact OE1-ND2 3.48Å; Q224-K971 VanDerWaalsContact O-CD 3.26Å; Q224-K971 WeakPolarHBondContact O-CD 3.39Å; Q224-K971 PolarHBondContact O-NZ 3.26Å
225C90.3Very high88.2Confident17 Ų1722.7 Ų22.712%0.11514%0.135CC..EExtended strand (participates in β ladder)trans-125145-179.8-58.40000110.2R237C225-R237 HydrophobicContact CB-CG 3.99Å; C225-R237 PolarHBondContact N-O 2.98Å; C225-R237 PolarHBondContact O-N 2.98Å
226F89.9Confident88.4Confident11 Ų1120.4 Ų20.45%0.04811%0.112CC..EExtended strand (participates in β ladder)trans-118.5111.1179.1-60.2-89.2000109.1I196 Q224 V236 N989I196-F226 HydrophobicContact CG2-CD1 3.89Å; I196-F226 HydrophobicContact CG2-CE1 3.49Å; I196-F226 VanDerWaalsContact CG2-CE1 3.49Å; I196-F226 HydrophobicContact CG2-CZ 4.11Å; Q224-F226 HydrophobicContact CG-CE2 4.06Å; Q224-F226 HydrophobicContact CG-CZ 3.95Å; F226-V236 HydrophobicContact CD1-CB 4.25Å; F226-V236 HydrophobicContact CD1-CG1 3.7Å; F226-V236 HydrophobicContact CD1-CG2 3.62Å; F226-V236 HydrophobicContact CE1-CB 4.3Å; F226-V236 HydrophobicContact CE1-CG1 3.41Å; F226-V236 VanDerWaalsContact CE1-CG1 3.41Å; F226-V236 HydrophobicContact CE1-CG2 3.85Å; F226-V236 HydrophobicContact CZ-CG1 4.15Å; F226-N989 HydrophobicContact CD2-CB 4.32Å; F226-N989 WeakPolarHBondContact CD2-ND2 3.39Å; F226-N989 VanDerWaalsContact CE2-CG 3.49Å; F226-N989 VanDerWaalsContact CE2-ND2 3.25Å; F226-N989 WeakPolarHBondContact CE2-ND2 3.44Å
227D89.8Confident88.5Confident11 Ų1120.5 Ų20.56%0.05911%0.111CC..EExtended strand (participates in β ladder)trans-100.1110.6-179.7-64.5-24.4000108.2V235 R237 R406 T436 I438D227-V235 HydrophobicContact CB-CB 4.2Å; D227-V235 PolarHBondContact N-O 2.86Å; D227-V235 PolarHBondContact O-N 3.03Å; D227-R237 IonicContact OD1-NE 3.4Å; D227-R237 WeakPolarHBondContact OD2-CD 3.39Å; D227-R237 IonicContact OD2-NE 2.72Å; D227-R237 PolarHBondContact OD2-NE 3.48Å; D227-R406 IonicContact OD2-NH1 3.58Å; D227-T436 HydrophobicContact CB-CG2 4.5Å; D227-T436 VanDerWaalsContact CG-OG1 3.28Å; D227-T436 WeakPolarHBondContact OD1-CB 3.5Å; D227-T436 PolarHBondContact OD1-OG1 3.01Å; D227-T436 PolarHBondContact OD2-OG1 3.07Å; D227-I438 HydrophobicContact CB-CD1 4.01Å
228L86.9Confident88.7Confident37 Ų3718.1 Ų18.119%0.19410%0.098CC..EExtended strand (participates in β ladder)trans-89.8111.5178.3-50.3176.2000109.5L234 V974 L987L228-L234 HydrophobicContact CD2-CD1 3.56Å; L228-V974 HydrophobicContact CD1-CB 4.48Å; L228-V974 HydrophobicContact CD1-CG1 4.46Å; L228-V974 HydrophobicContact CD1-CG2 4.11Å; L228-L987 HydrophobicContact CD1-CD2 3.41Å; L228-L987 VanDerWaalsContact CD1-CD2 3.41Å; L228-L987 HydrophobicContact CD2-CD2 4.24Å; L228-L987 HydrophobicContact CG-CD2 4.31Å
229E84.8Confident88.8Confident7 Ų718.3 Ų18.33%0.03310%0.099CC..  trans-110.121.8-169.8-63.8171-164.300113.4E231 S232 G233 V235 L376 R406 I438E229-E231 PolarHBondContact O-N 2.9Å; E229-S232 WeakPolarHBondContact O-CB 2.93Å; E229-S232 PolarHBondContact O-N 2.8Å; E229-S232 VanDerWaalsContact O-N 3.09Å; E229-G233 WeakPolarHBondContact CB-O 3.1Å; E229-G233 PolarHBondContact N-O 2.99Å; E229-V235 WeakPolarHBondContact OE1-CG2 3.5Å; E229-L376 HydrophobicContact CB-CD1 4.07Å; E229-L376 HydrophobicContact CG-CD1 4.23Å; E229-L376 HydrophobicContact CG-CD2 4.21Å; E229-R406 IonicContact OE1-CZ 2.66Å; E229-R406 IonicContact OE1-NH1 3.93Å; E229-R406 PolarHBondContact OE1-NH1 2.97Å; E229-R406 IonicContact OE1-NH2 3.89Å; E229-R406 PolarHBondContact OE1-NH2 2.77Å; E229-R406 IonicContact OE2-CZ 2.65Å; E229-R406 IonicContact OE2-NH2 3.32Å; E229-R406 PolarHBondContact OE2-NH2 3.49Å; E229-I438 HydrophobicContact CG-CD1 3.66Å
230G79.9Confident88.8Confident18 Ų1818.3 Ų18.319%0.18610%0.099CC..G310 helixtrans58.8-123.8-179.300000111.7Y176 S232 G233Y176-G230 VanDerWaalsContact CD2-O 3.3Å; Y176-G230 WeakPolarHBondContact CD2-O 3.34Å; Y176-G230 VanDerWaalsContact CE2-CA 3.48Å; G230-S232 PolarHBondContact O-N 3.38Å; G230-G233 PolarHBondContact O-N 2.9Å
231E72Confident88.8Confident178 Ų17818.2 Ų18.283%0.83210%0.099SC*.G310 helixtrans-64.7-19.7179.6-60.6-169.2172.600113.8Y176 E229 G233Y176-E231 HydrophobicContact CD1-CG 3.86Å; Y176-E231 HydrophobicContact CE1-CG 4.32Å; E229-E231 PolarHBondContact O-N 2.9Å; E231-G233 PolarHBondContact O-N 2.89Å
232S73.4Confident88.8Confident29 Ų2918.1 Ų18.120%0.20310%0.097CC..G310 helixtrans-76.6-14.9179.1-53.40000112.9E229 G230 N381E229-S232 WeakPolarHBondContact O-CB 2.93Å; E229-S232 PolarHBondContact O-N 2.8Å; E229-S232 VanDerWaalsContact O-N 3.09Å; G230-S232 PolarHBondContact O-N 3.38Å; S232-N381 PolarHBondContact O-ND2 3.02Å
233G83.5Confident88.6Confident2 Ų218 Ų182%0.02110%0.097CC..  trans111.8-157.7176.500000113.9E229 G230 E231E229-G233 WeakPolarHBondContact CB-O 3.1Å; E229-G233 PolarHBondContact N-O 2.99Å; G230-G233 PolarHBondContact O-N 2.9Å; E231-G233 PolarHBondContact O-N 2.89Å
234L86.9Confident88.6Confident0 Ų017.2 Ų17.20%09%0.094CC..EExtended strand (participates in β ladder)trans-120.3128.9-178.2170.969.8000108.9V170 N171 D173 L195 I196 M199 L228 V236V170-L234 WeakPolarHBondContact CA-O 3.35Å; N171-L234 PolarHBondContact N-O 3.15Å; N171-L234 PolarHBondContact O-N 2.84Å; D173-L234 HydrophobicContact CB-CB 4.44Å; L195-L234 HydrophobicContact CD2-CD2 4.33Å; I196-L234 HydrophobicContact CD1-CD1 4.46Å; I196-L234 HydrophobicContact CD1-CD2 4Å; I196-L234 HydrophobicContact CG1-CD1 4.46Å; I196-L234 HydrophobicContact CG1-CD2 3.33Å; M199-L234 HydrophobicContact CE-CD2 4.47Å; M199-L234 HydrophobicContact CE-CG 4.41Å; M199-L234 HydrophobicContact SD-CD2 3.55Å; M199-L234 VanDerWaalsContact SD-CD2 3.55Å; M199-L234 HydrophobicContact SD-CG 4.11Å; L228-L234 HydrophobicContact CD2-CD1 3.56Å; L234-V236 HydrophobicContact CD2-CG2 4.31Å; L234-V236 HydrophobicContact CG-CG2 4.17Å
235V89.7Confident88.5Confident1 Ų117.5 Ų17.51%0.00610%0.096CC..EExtended strand (participates in β ladder)trans-114.3126.2173.8179.30000109.4V170 D227 E229 R406V170-V235 HydrophobicContact CB-CG2 4.43Å; V170-V235 HydrophobicContact CG1-CG2 3.97Å; V170-V235 HydrophobicContact CG2-CG1 4.29Å; V170-V235 HydrophobicContact CG2-CG2 3.93Å; D227-V235 HydrophobicContact CB-CB 4.2Å; D227-V235 PolarHBondContact N-O 2.86Å; D227-V235 PolarHBondContact O-N 3.03Å; E229-V235 WeakPolarHBondContact OE1-CG2 3.5Å; V235-R406 HydrophobicContact CG1-CG 4.36Å
236V92Very high88.4Confident0 Ų021.7 Ų21.70%011%0.114CC..EExtended strand (participates in β ladder)trans-114.5121173.9-168.50000108.1L168 V169 M199 L203 Q224 F226 L234L168-V236 CarbonylContact C-O 3.58Å; L168-V236 WeakPolarHBondContact CA-O 3.48Å; V169-V236 PolarHBondContact N-O 2.85Å; V169-V236 PolarHBondContact O-N 3.06Å; M199-V236 HydrophobicContact CB-CB 4.32Å; M199-V236 HydrophobicContact CB-CG2 3.81Å; M199-V236 HydrophobicContact CE-CB 4.22Å; M199-V236 HydrophobicContact CE-CG2 3.65Å; M199-V236 HydrophobicContact SD-CG2 3.98Å; L203-V236 HydrophobicContact CD2-CG1 3.81Å; Q224-V236 HydrophobicContact CG-CG1 4.04Å; F226-V236 HydrophobicContact CD1-CB 4.25Å; F226-V236 HydrophobicContact CD1-CG1 3.7Å; F226-V236 HydrophobicContact CD1-CG2 3.62Å; F226-V236 HydrophobicContact CE1-CB 4.3Å; F226-V236 HydrophobicContact CE1-CG1 3.41Å; F226-V236 VanDerWaalsContact CE1-CG1 3.41Å; F226-V236 HydrophobicContact CE1-CG2 3.85Å; F226-V236 HydrophobicContact CZ-CG1 4.15Å; L234-V236 HydrophobicContact CD2-CG2 4.31Å; L234-V236 HydrophobicContact CG-CG2 4.17Å
237R92.9Very high88.1Confident8 Ų826.4 Ų26.43%0.0313%0.134CC..EExtended strand (participates in β ladder)trans-130.5148.8-176.464.3-169.1-171.987.81.6110.7E167 L168 Q224 C225 D227 W410 E434 T436E167-R237 WeakPolarHBondContact O-CA 3.41Å; L168-R237 HydrophobicContact CB-CB 3.81Å; Q224-R237 CarbonylContact C-O 3.49Å; Q224-R237 WeakPolarHBondContact CA-O 3.11Å; C225-R237 HydrophobicContact CB-CG 3.99Å; C225-R237 PolarHBondContact N-O 2.98Å; C225-R237 PolarHBondContact O-N 2.98Å; D227-R237 IonicContact OD1-NE 3.4Å; D227-R237 WeakPolarHBondContact OD2-CD 3.39Å; D227-R237 IonicContact OD2-NE 2.72Å; D227-R237 PolarHBondContact OD2-NE 3.48Å; R237-W410 VanDerWaalsContact NH2-CZ2 3.26Å; R237-E434 IonicContact NH1-OE2 3Å; R237-E434 PolarHBondContact NH1-OE2 3.28Å; R237-T436 PolarHBondContact NE-OG1 3.18Å; R237-T436 PolarHBondContact NH2-OG1 3.15Å
238A94.4Very high87.4Confident1 Ų131.5 Ų31.51%0.00816%0.157CC..EExtended strand (participates in β ladder)trans-144.1147.2176.100000112.1E166 E167 L203 I207 Y222 L223 Q224E166-A238 VanDerWaalsContact CA-O 3.27Å; E166-A238 WeakPolarHBondContact CA-O 3.44Å; E167-A238 PolarHBondContact N-O 2.86Å; E167-A238 VanDerWaalsContact N-O 3.14Å; E167-A238 PolarHBondContact O-N 3.42Å; L203-A238 HydrophobicContact CD2-CB 3.46Å; L203-A238 VanDerWaalsContact CD2-CB 3.46Å; L203-A238 HydrophobicContact CG-CB 4.09Å; I207-A238 HydrophobicContact CD1-CB 3.54Å; Y222-A238 HydrophobicContact CD2-CB 4.47Å; Y222-A238 HydrophobicContact CE2-CB 3.58Å; L223-A238 WeakPolarHBondContact O-CA 3.19Å; Q224-A238 HydrophobicContact CB-CB 4.11Å; Q224-A238 HydrophobicContact CG-CB 4.34Å
239I95.4Very high85.8Confident4 Ų435 Ų352%0.02119%0.185CC..EExtended strand (participates in β ladder)trans-129.2156.1178.264172.7000109.9F164 V165 E166 Y222 L223 T352 Y432 E434F164-I239 HydrophobicContact CE2-CB 3.79Å; F164-I239 HydrophobicContact CE2-CG2 4.15Å; F164-I239 HydrophobicContact CZ-CB 3.84Å; F164-I239 HydrophobicContact CZ-CG2 3.65Å; V165-I239 CarbonylContact O-C 3.55Å; V165-I239 WeakPolarHBondContact O-CA 3.18Å; E166-I239 HydrophobicContact CB-CG2 4.13Å; Y222-I239 WeakPolarHBondContact CA-O 3.48Å; L223-I239 HydrophobicContact CB-CG1 3.86Å; L223-I239 HydrophobicContact CD2-CD1 3.93Å; L223-I239 HydrophobicContact CD2-CG1 4.05Å; L223-I239 PolarHBondContact N-O 3.3Å; L223-I239 PolarHBondContact O-N 2.84Å; I239-T352 HydrophobicContact CB-CG2 4.49Å; I239-T352 HydrophobicContact CD1-CG2 4.01Å; I239-T352 HydrophobicContact CG1-CG2 4.06Å; I239-Y432 HydrophobicContact CD1-CD1 4.19Å; I239-Y432 HydrophobicContact CD1-CE1 4.27Å; I239-E434 HydrophobicContact CD1-CB 4.44Å; I239-E434 HydrophobicContact CD1-CG 4.24Å
240G95.4Very high83.8Confident0 Ų040.3 Ų40.30%022%0.223CC..EExtended strand (participates in β ladder)trans-173.9179.7176.300000113.6V165V165-G240 VanDerWaalsContact CG2-O 3.32Å; V165-G240 WeakPolarHBondContact CG2-O 3.5Å; V165-G240 PolarHBondContact N-O 2.97Å; V165-G240 PolarHBondContact O-N 2.94Å
241T94.3Very high81.7Confident0 Ų043 Ų430%025%0.251CS..EExtended strand (participates in β ladder)trans-111.5114.8176.2-54.60000110.2V161 G163 V219 V220 C243 F351 T352 L353V161-T241 HydrophobicContact CG1-CG2 3.62Å; G163-T241 CarbonylContact O-C 3.47Å; G163-T241 WeakPolarHBondContact O-CA 3.15Å; V219-T241 WeakPolarHBondContact CA-O 3.36Å; V220-T241 PolarHBondContact N-O 3.45Å; V220-T241 WeakPolarHBondContact O-CB 3.19Å; V220-T241 PolarHBondContact O-N 2.76Å; T241-C243 PolarHBondContact O-N 2.97Å; T241-F351 HydrophobicContact CG2-CD1 3.71Å; T241-F351 HydrophobicContact CG2-CE1 4.42Å; T241-T352 PolarHBondContact N-OG1 2.78Å; T241-T352 PolarHBondContact OG1-N 3.43Å; T241-T352 PolarHBondContact OG1-OG1 3.14Å; T241-L353 HydrophobicContact CG2-CD1 4.3Å; T241-L353 HydrophobicContact CG2-CG 4.42Å
242A93.8Very high79.5Confident0 Ų039.5 Ų39.50%025%0.246CC..EExtended strand (participates in β ladder)trans-71.7125.9176.200000111.1H162 G163 V165 V211 M214H162-A242 HydrophobicContact CB-CB 4.05Å; H162-A242 PolarHBondContact N-O 2.98Å; G163-A242 PolarHBondContact O-N 3.14Å; V165-A242 HydrophobicContact CG1-CB 3.78Å; V165-A242 HydrophobicContact CG2-CB 4.46Å; V211-A242 HydrophobicContact CG1-CB 4.36Å; V211-A242 HydrophobicContact CG2-CB 4.15Å; M214-A242 HydrophobicContact CE-CB 4.1Å; M214-A242 HydrophobicContact SD-CB 4.47Å
243C91.6Very high77.5Confident3 Ų345.9 Ų45.92%0.0228%0.277CS..EExtended strand (participates in β ladder)trans-134.2155-177.3-60.90000111.6M160 N217 A218 V220 T241 L245M160-C243 CarbonylContact O-C 3.58Å; M160-C243 WeakPolarHBondContact O-CA 3.13Å; N217-C243 PolarHBondContact N-O 2.9Å; N217-C243 PolarHBondContact OD1-O 2.94Å; A218-C243 PolarHBondContact N-O 2.91Å; A218-C243 PolarHBondContact O-N 2.94Å; V220-C243 HydrophobicContact CG2-CB 4.2Å; T241-C243 PolarHBondContact O-N 2.97Å; C243-L245 HydrophobicContact CB-CD2 4.08Å; C243-L245 HydrophobicContact CB-CG 4.32Å
244T91.4Very high74.9Confident32 Ų3251.3 Ų51.320%0.19631%0.309CS..EExtended strand (participates in β ladder)trans-102.4109.4160.4-56.70000108.1A159 M160 H162 G215 N217A159-T244 HydrophobicContact CB-CG2 4.26Å; A159-T244 PolarHBondContact N-O 3.19Å; M160-T244 PolarHBondContact N-O 3.38Å; M160-T244 PolarHBondContact O-N 3.12Å; H162-T244 PolarHBondContact NE2-OG1 3.38Å; G215-T244 PolarHBondContact O-OG1 3.34Å; N217-T244 VanDerWaalsContact OD1-CA 3.31Å; N217-T244 WeakPolarHBondContact OD1-CA 3.34Å
245L90.3Very high72Confident8 Ų858.4 Ų58.44%0.04235%0.348CS..EExtended strand (participates in β ladder)trans-98.9131179.1-60.4-177.7000110.8L147 P153 Y156 A158 N217 A218 V220 C243L147-L245 HydrophobicContact CD1-CD1 3.89Å; P153-L245 HydrophobicContact CG-CD1 4.12Å; Y156-L245 HydrophobicContact CD1-CB 3.99Å; Y156-L245 HydrophobicContact CG-CB 4.43Å; A158-L245 HydrophobicContact CB-CD2 4.21Å; N217-L245 PolarHBondContact ND2-O 3.4Å; N217-L245 PolarHBondContact OD1-N 2.9Å; A218-L245 HydrophobicContact CB-CD1 3.53Å; A218-L245 HydrophobicContact CB-CG 3.79Å; V220-L245 HydrophobicContact CG2-CD1 4.12Å; V220-L245 HydrophobicContact CG2-CD2 4.48Å; C243-L245 HydrophobicContact CB-CD2 4.08Å; C243-L245 HydrophobicContact CB-CG 4.32Å
246E89.1Confident69Low106 Ų10664.2 Ų64.250%0.49538%0.383SS..EExtended strand (participates in β ladder)trans-110.3137.6171.1-72.1178.2-176.300109.6Y156 R157 A159Y156-E246 CarbonylContact C-O 3.57Å; Y156-E246 VanDerWaalsContact CA-O 3.27Å; Y156-E246 WeakPolarHBondContact CA-O 3.36Å; R157-E246 PolarHBondContact N-O 3.01Å; R157-E246 PolarHBondContact O-N 3.05Å; A159-E246 HydrophobicContact CB-CG 3.88Å
247K83.6Confident65.9Low110 Ų11072.3 Ų72.348%0.47842%0.42SS..EExtended strand (participates in β ladder)trans-78135.5176.5-165.8171-168.2162.70109.3E100 Y156 S249E100-K247 IonicContact OE2-NZ 2.7Å; E100-K247 PolarHBondContact OE2-NZ 3.4Å; Y156-K247 HydrophobicContact CD1-CB 4.32Å; Y156-K247 HydrophobicContact CE1-CB 4.2Å; Y156-K247 HydrophobicContact CE1-CG 4.45Å; K247-S249 PolarHBondContact O-N 3.45Å
248H74.7Confident62.8Low117 Ų11779 Ų7954%0.54246%0.463SS..  trans-59.5110.7169.6-79.2-84.3000108.8G155 S250G155-H248 PolarHBondContact O-N 2.64Å; G155-H248 VanDerWaalsContact O-N 3.08Å; H248-S250 PolarHBondContact O-N 2.81Å; H248-S250 VanDerWaalsContact O-N 3.08Å
249S52.3Low59.7Low112 Ų11287.7 Ų87.778%0.78350%0.503SS*.  trans-63.2112.3170.938.60000107.9K247 G251K247-S249 PolarHBondContact O-N 3.45Å; S249-G251 PolarHBondContact O-N 2.65Å; S249-G251 VanDerWaalsContact O-N 3.11Å
250S43.6Very low56.7Low117 Ų11792.3 Ų92.382%0.81853%0.533SS*.  trans-61.1115.1163.20.60000105.5H248 S252H248-S250 PolarHBondContact O-N 2.81Å; H248-S250 VanDerWaalsContact O-N 3.08Å; S250-S252 PolarHBondContact O-N 3.15Å
251G35.1Very low53.4Low75 Ų7599.5 Ų99.577%0.77357%0.572SS**  trans-45.5108.7-166.100000113.8S249S249-G251 PolarHBondContact O-N 2.65Å; S249-G251 VanDerWaalsContact O-N 3.11Å
252S27.1Very low50.2Low105 Ų105105.7 Ų105.773%0.73461%0.609SS**  trans-77.3113145.1-1730000105.2S250 V254S250-S252 PolarHBondContact O-N 3.15Å; S252-V254 VanDerWaalsContact C-N 3.29Å; S252-V254 PolarHBondContact O-N 2.66Å
253L30.4Very low47.3Very low163 Ų163110.1 Ų110.185%0.85365%0.646SS**  trans-5894.7171.1-76157000108.4N255L253-N255 VanDerWaalsContact C-N 3.35Å; L253-N255 PolarHBondContact O-N 2.65Å; L253-N255 VanDerWaalsContact O-N 3.1Å
254V28.8Very low44.6Very low115 Ų115115.7 Ų115.770%0.69768%0.682SS**  trans-74.497.7163.2-179.50000106.1S252 T256S252-V254 VanDerWaalsContact C-N 3.29Å; S252-V254 PolarHBondContact O-N 2.66Å; V254-T256 PolarHBondContact O-N 2.69Å
255N25.6Very low41.4Very low150 Ų150118.4 Ų118.480%0.80271%0.708SS**  trans-54.6100.4164.6-91.3-6.8000108.6L253 H257L253-N255 VanDerWaalsContact C-N 3.35Å; L253-N255 PolarHBondContact O-N 2.65Å; L253-N255 VanDerWaalsContact O-N 3.1Å; N255-H257 PolarHBondContact O-N 2.81Å
256T26.9Very low38.6Very low122 Ų122122.6 Ų122.675%0.74874%0.738SS**  trans-84.290.4167.628.40000108.4V254V254-T256 PolarHBondContact O-N 2.69Å
257H27.6Very low35.6Very low170 Ų170124.8 Ų124.879%0.78775%0.753SS**  trans-139.1102.7150.5-83.7-62.9000108.7N255N255-H257 PolarHBondContact O-N 2.81Å
258T26.9Very low32.9Very low150 Ų150123.4 Ų123.492%0.9276%0.762SS**  trans-166.8133.2136.416.80000109.8
259H29.2Very low30.5Very low182 Ų182123.1 Ų123.184%0.84377%0.772SS**  trans-67.8164.5-175.4-86.8-84.6000113.9
260P33.3Very low29.2Very low102 Ų102125.6 Ų125.666%0.66278%0.776SS**  trans-81.4140.6-176.534.1-32.5000111
261N26.7Very low28.4Very low151 Ų151125.2 Ų125.281%0.80777%0.774SS**  trans166.7150.6133.8-88.2-25.9000111.6
262T27Very low28.1Very low129 Ų129127.9 Ų127.979%0.79178%0.778SS**  trans96.997.8157.3-23.50000115.8
263A31.5Very low28Very low94 Ų94127.9 Ų127.978%0.77778%0.778SS**  trans-64.2147.3148.100000108.8
264P35.3Very low27.9Very low120 Ų120130 Ų13078%0.77978%0.78SS**  -15416393.535.4-14.7000118.1
265A25.3Very low27.8Very low88 Ų88132.1 Ų132.173%0.72779%0.787SS**  trans4.1143149.900000125.1
266S30.4Very low27.8Very low97 Ų97128.2 Ų128.268%0.67878%0.783SS**  trans63.6129131.5650000122.2
267N27.1Very low27.7Very low151 Ų151131.6 Ų131.681%0.80779%0.787SS**  170.7109.7124-80.9-19.8000108.3
268A25.4Very low27.4Very low81 Ų81131.9 Ų131.967%0.66979%0.789SS**  70.3110.277.800000115
269C25.1Very low27.2Very low112 Ų112129.7 Ų129.776%0.75778%0.78SS**  trans72.9119.8141.1-49.80000120.4
270N24.9Very low27.5Very low163 Ų163125.9 Ų125.987%0.87277%0.771SS**  -171.9125.4104.9-88.1-22.4000112.1
271S26.7Very low27.1Very low110 Ų110128.2 Ų128.277%0.76978%0.777SS**  trans-90.5172163.744.40000110.6
272P28.3Very low27Very low131 Ų131124.7 Ų124.785%0.85177%0.769SS**  -132.1148.7122.131.9-19000113.5
273S26.3Very low27Very low105 Ų105127.4 Ų127.473%0.73477%0.772SS**  trans-86.9160.2-169.246.10000115.1
274K27.1Very low26.6Very low206 Ų206126 Ų12690%0.89677%0.767SS**  trans-145.1131142.1-114.3-177.7-179.9-178.70111.3
275D27.1Very low26Very low160 Ų160126.4 Ų126.486%0.85677%0.771SS**  trans-56.5161.1179.9-53.8-72000114
276G25Very low25.8Very low69 Ų69133.6 Ų133.671%0.71178%0.779SS**  cis168.9-174.47.600000110.9
277K25.1Very low25.6Very low193 Ų193133.7 Ų133.784%0.83978%0.78SS**  trans97.699.6168.8-70.7-172170.5-175.70120
278E22.2Very low25.4Very low175 Ų175132.4 Ų132.482%0.81878%0.778SS**  62.3121.9120.3-72.3179148.200122.3
279S21.3Very low25.5Very low105 Ų105138 Ų13873%0.73479%0.79SS**  trans-57.1-164.7160.164.40000114.6
280P36.9Very low25.4Very low101 Ų101140.1 Ų140.166%0.65679%0.794SS**  cis-136.9174.9-0.326.41.2000112.9
281L24.4Very low25.4Very low152 Ų152137.7 Ų137.780%0.79679%0.79SS**  172.7126.580.9-85.4166.5000106.7
282A24.6Very low25.7Very low76 Ų76138 Ų13863%0.62879%0.789SS**  84.4137.79700000112.6
283H27.8Very low25.5Very low186 Ų186138.1 Ų138.186%0.86179%0.787SS**  cis-151.2146.715.8-92.3-66.6000107.2
284G22.1Very low25.4Very low65 Ų65141.8 Ų141.867%0.6779%0.792SS**  56115.781.300000112
285C22.6Very low25.2Very low128 Ų128137.8 Ų137.887%0.86579%0.79SS**  -177.5138.955.8-82.90000108.1
286R22.1Very low25Very low239 Ų239135.1 Ų135.190%0.90279%0.79SS**  72.9102.891.6-146.5179.9-169.4-170.13.2117
287S25.5Very low24.9Very low100 Ų100137.7 Ų137.770%0.69980%0.796SS**  trans64.4135.7133.2-156.60000123.1
288T23.5Very low24.8Very low124 Ų124133.5 Ų133.576%0.76179%0.791SS**  trans120.3110.3138.861.30000115.2
289H26.8Very low24.8Very low198 Ų198131.1 Ų131.192%0.91779%0.794SS**  trans-112.8110.7162.4-89.8-74.3000108.9
290N23.7Very low24.9Very low156 Ų156135 Ų13583%0.83480%0.8SS**  trans-83.9138.4155.8-83.3-19.1000108.5
291S25.2Very low24.2Very low113 Ų113141.9 Ų141.979%0.7981%0.813SS**  trans-67.7159156.4-39.40000109.3
292P32.9Very low24.2Very low115 Ų115142 Ų14275%0.74781%0.814SS**  -156164.47736.9-14.7000118.1
293V23.2Very low24.1Very low135 Ų135143.6 Ų143.682%0.81882%0.82SS**  trans81.3131.2138.91720000121.9
294H24.3Very low24Very low182 Ų182143.4 Ų143.484%0.84382%0.82SS**  trans-51.8148.4171.3-70.1-96.5000116.4
295S22.8Very low24.2Very low122 Ų122147.2 Ų147.285%0.85383%0.825SS**  trans-142.7115.8145.657.40000110
296A23.1Very low24.1Very low103 Ų103151.3 Ų151.385%0.85183%0.828SS**  trans-76.1143.8167.500000110.2
297C22.4Very low24.2Very low124 Ų124144 Ų14484%0.83881%0.814SS**  trans-147.9118.6150.7-160.70000110.1
298S22.6Very low24.1Very low104 Ų104145.9 Ų145.973%0.72782%0.821SS**  trans-74.2142.4171.641.50000112
299S23.8Very low24.1Very low125 Ų125144.4 Ų144.487%0.87482%0.816SS**  trans-152.4119.8148.6-81.30000110.7
300Q23.2Very low24Very low188 Ų188141.1 Ų141.188%0.87981%0.809SS**  trans-71.5138.8173.4-64.8158.9-32.100110.2
301R22.4Very low24.1Very low245 Ų245138.8 Ų138.893%0.92580%0.803SS**  trans-161.4144130.9-126.7178.1-120.3-137.90.5113.1
302L24.1Very low24.1Very low154 Ų154139.8 Ų139.881%0.80680%0.804SS**  trans-67.9145.3-175.1-65.3101.6000114
303S22.7Very low23.7Very low109 Ų109141.7 Ų141.776%0.76281%0.807SS**  trans-133.2132.8143.656.50000108.8
304Q25.4Very low23.7Very low182 Ų182142.3 Ų142.385%0.8580%0.804SS**  trans-86.1116.2-175.6-70.4172.7-30.800109
305N24.9Very low23.7Very low145 Ų145143.1 Ų143.178%0.77581%0.806SS**  trans-108.4127.2167.4-74.9-4.5000109.2S307N305-S307 PolarHBondContact O-N 3Å; N305-S307 VanDerWaalsContact O-N 3.16Å
306F21.4Very low23.7Very low214 Ų214143.4 Ų143.494%0.93980%0.803SS**  trans-76.695.4175-122.2-91.6000108.6
307S23.9Very low23.8Very low86 Ų86141.8 Ų141.860%0.60180%0.796SS**  trans-97.9123.9163.258.70000108.6N305 S309N305-S307 PolarHBondContact O-N 3Å; N305-S307 VanDerWaalsContact O-N 3.16Å; S307-S309 VanDerWaalsContact C-N 3.29Å; S307-S309 PolarHBondContact O-N 3.26Å
308V23.7Very low24Very low139 Ų139145.5 Ų145.584%0.84280%0.803SS**  trans-77.588.3167.3-179.40000107.7
309S23.5Very low24.1Very low94 Ų94144.2 Ų144.266%0.65781%0.807SS**PPolyproline II helixtrans-96.9120.6167.5490000109.2S307S307-S309 VanDerWaalsContact C-N 3.29Å; S307-S309 PolarHBondContact O-N 3.26Å
310V25.6Very low24.3Very low129 Ų129144.9 Ų144.978%0.78281%0.811SS**PPolyproline II helixtrans-82.7136.4164.61800000107.9
311P24.4Very low24.4Very low107 Ų107139.7 Ų139.770%0.69581%0.808SS**PPolyproline II helixtrans-86.1130.6-151.131.9-32.8000113.2
312T25.5Very low24.5Very low133 Ų133131.5 Ų131.582%0.81680%0.8SS**  trans-101.7111.4158-51.50000108I314T312-I314 PolarHBondContact O-N 3.12Å; T312-I314 VanDerWaalsContact O-N 3.16Å
313L24.1Very low24.6Very low156 Ų156130.2 Ų130.282%0.81780%0.804SS**  trans-63.3111.1176.8-72.4168.1000110F315L313-F315 PolarHBondContact O-N 2.94Å
314I23.6Very low24.7Very low148 Ų148129.9 Ų129.976%0.75981%0.808SS**  trans-83103.2166.1-56.4179.8000107.4T312 T316T312-I314 PolarHBondContact O-N 3.12Å; T312-I314 VanDerWaalsContact O-N 3.16Å; I314-T316 HydrophobicContact CG2-CG2 4.12Å; I314-T316 PolarHBondContact O-N 2.99Å
315F23.7Very low24.8Very low198 Ų198124.8 Ų124.887%0.86880%0.804SS**  trans-82.3103.1164.9-123.1-84.7000108.4L313L313-F315 PolarHBondContact O-N 2.94Å
316T24.6Very low25Very low129 Ų129128.1 Ų128.179%0.79181%0.812SS**  trans-90114.8162.638.80000108.1I314I314-T316 HydrophobicContact CG2-CG2 4.12Å; I314-T316 PolarHBondContact O-N 2.99Å
317G23.8Very low25.2Very low69 Ų69127.6 Ų127.671%0.71181%0.812SS**  trans-145.2103175.700000110.2
318M26.9Very low25.3Very low202 Ų202128.2 Ų128.2100%0.99582%0.822SS**  trans-53.1135.6168.7-90.610671.500111.5
319G24.2Very low25.6Very low77 Ų77124.1 Ų124.179%0.79481%0.809SS**  trans-159.7100.7168.500000111.2
320S28.4Very low26.1Very low138 Ų138124.3 Ų124.397%0.96581%0.807SS**  trans-66.2138.9170.3-61.40000111.6
321G25.4Very low26.4Very low80 Ų80124.1 Ų124.183%0.82580%0.802SS**  trans172.9104.4167.300000111.8
322G24.4Very low26.7Very low73 Ų73126.5 Ų126.575%0.75380%0.801SS**  trans-85153.4-177.500000114.7
323S25.6Very low27.1Very low126 Ų126124.6 Ų124.688%0.88179%0.789SS**  162.5139.8120.2-80.70000113.7
324A26.3Very low27.6Very low103 Ų103121.7 Ų121.785%0.85177%0.774SS**  trans73.896145.100000120.9
325G26.2Very low28.1Very low74 Ų74119.3 Ų119.376%0.76376%0.762SS**  92.8102.4111.600000119.4
326K28.9Very low28.6Very low216 Ų216118.3 Ų118.394%0.93975%0.753SS**  -178.2129.8116.2-100.7175.1-179.4-179.90110.7
327E26.8Very low29.1Very low202 Ų202117.9 Ų117.994%0.94474%0.742SS**  trans-66.2127.9-173.3-62-166.515400113.3
328A25.7Very low29.5Very low99 Ų99120.6 Ų120.682%0.81874%0.736SS**  trans-120.4123.6152.700000106.8
329G30Very low30.2Very low54 Ų54112.3 Ų112.356%0.55770%0.697SS**  trans-61.6149.5-164.800000115.2L331G329-L331 PolarHBondContact O-N 3.03Å
330P33.2Very low31Very low97 Ų97112.7 Ų112.763%0.6368%0.678SS**THydrogen-bonded Turntrans-72.11-172.827.4-33.1000115.2T333 L334P330-T333 PolarHBondContact O-OG1 2.73Å; P330-L334 WeakPolarHBondContact O-CB 3.44Å; P330-L334 WeakPolarHBondContact O-CD1 3.33Å; P330-L334 WeakPolarHBondContact O-CG 3.03Å; P330-L334 PolarHBondContact O-N 3.49Å
331L31.8Very low31.4Very low126 Ų126109.4 Ų109.466%0.6665%0.652SS**Hα-helixtrans-83.2-31.3-173.2-109.7149.4000114G329 L335G329-L331 PolarHBondContact O-N 3.03Å; L331-L335 HydrophobicContact CD2-CD1 4.31Å; L331-L335 PolarHBondContact O-N 2.95Å; L331-L335 VanDerWaalsContact O-N 3.14Å
332K32.3Very low32.1Very low157 Ų157107.7 Ų107.768%0.68363%0.63SS**Hα-helixtrans-75.9-33.3177.5-76.6-171.3175.5-174.30112.7R336K332-R336 WeakPolarHBondContact O-CB 3.41Å; K332-R336 PolarHBondContact O-N 2.84Å
333T34Very low33.2Very low93 Ų93105.5 Ų105.557%0.57160%0.601SS**Hα-helixtrans-73-36.2174.121.80000112.1P330 Q337P330-T333 PolarHBondContact O-OG1 2.73Å; T333-Q337 WeakPolarHBondContact O-CB 3.19Å; T333-Q337 PolarHBondContact O-N 2.98Å
334L33Very low34Very low95 Ų95105 Ų10550%0.49758%0.584SS.*Hα-helixtrans-70.1-39.9175-83.2166.8000113.3P330 Q337 Q338P330-L334 WeakPolarHBondContact O-CB 3.44Å; P330-L334 WeakPolarHBondContact O-CD1 3.33Å; P330-L334 WeakPolarHBondContact O-CG 3.03Å; P330-L334 PolarHBondContact O-N 3.49Å; L334-Q337 PolarHBondContact O-N 3.49Å; L334-Q338 WeakPolarHBondContact O-CB 3.44Å; L334-Q338 PolarHBondContact O-N 3.34Å
335L35.5Very low34.7Very low97 Ų97107.9 Ų107.951%0.50858%0.58SS.*Hα-helixtrans-67-35.6174.8-97.9145.7000112.6L331 T339L331-L335 HydrophobicContact CD2-CD1 4.31Å; L331-L335 PolarHBondContact O-N 2.95Å; L331-L335 VanDerWaalsContact O-N 3.14Å; L335-T339 WeakPolarHBondContact O-CB 3.14Å; L335-T339 PolarHBondContact O-N 2.81Å; L335-T339 VanDerWaalsContact O-N 3.11Å; L335-T339 PolarHBondContact O-OG1 3.21Å
336R34.1Very low36.1Very low178 Ų178108.1 Ų108.167%0.67256%0.558SS**Hα-helixtrans-67.3-42.2172.1-175.6173.3164-178.9-3.1111.5K332 Q340K332-R336 WeakPolarHBondContact O-CB 3.41Å; K332-R336 PolarHBondContact O-N 2.84Å; R336-Q340 WeakPolarHBondContact O-CB 3.42Å; R336-Q340 WeakPolarHBondContact O-CG 3.35Å; R336-Q340 PolarHBondContact O-N 2.98Å
337Q35Very low37.5Very low119 Ų119104.7 Ų104.756%0.55655%0.546SS*.Hα-helixtrans-65-45173.7-96.1179.7-13.300112.8T333 L334 T339 Q340 T341T333-Q337 WeakPolarHBondContact O-CB 3.19Å; T333-Q337 PolarHBondContact O-N 2.98Å; L334-Q337 PolarHBondContact O-N 3.49Å; Q337-T339 VanDerWaalsContact C-N 3.28Å; Q337-T339 PolarHBondContact O-N 3.18Å; Q337-Q340 PolarHBondContact O-N 2.76Å; Q337-T341 WeakPolarHBondContact O-CG2 3.35Å; Q337-T341 PolarHBondContact O-N 2.93Å; Q337-T341 PolarHBondContact O-OG1 2.94Å
338Q32.1Very low39.3Very low126 Ų12697.2 Ų97.259%0.58951%0.51SS*.Hα-helixtrans-65.8-30.7179.4-106-178-18.100113.1L334 T341L334-Q338 WeakPolarHBondContact O-CB 3.44Å; L334-Q338 PolarHBondContact O-N 3.34Å; Q338-T341 WeakPolarHBondContact CA-OG1 3.32Å; Q338-T341 PolarHBondContact O-OG1 3.31Å
339T41.6Very low42Very low29 Ų2993.3 Ų93.318%0.17848%0.476CS..Hα-helixtrans-82.1-35178-50.40000111.5L335 Q337 L343 P456 R460L335-T339 WeakPolarHBondContact O-CB 3.14Å; L335-T339 PolarHBondContact O-N 2.81Å; L335-T339 VanDerWaalsContact O-N 3.11Å; L335-T339 PolarHBondContact O-OG1 3.21Å; Q337-T339 VanDerWaalsContact C-N 3.28Å; Q337-T339 PolarHBondContact O-N 3.18Å; T339-L343 HydrophobicContact CG2-CD1 4.49Å; T339-L343 PolarHBondContact O-N 3.29Å; T339-P456 HydrophobicContact CG2-CB 3.53Å; T339-P456 HydrophobicContact CG2-CG 4.19Å; T339-R460 PolarHBondContact OG1-NH2 3.27Å
340Q40.4Very low45Very low85 Ų8590.7 Ų90.740%0.39745%0.449SS..Hα-helixtrans-58.4-48.1167.3-87.8176.3-42.500111R336 Q337 A342 L343 E344R336-Q340 WeakPolarHBondContact O-CB 3.42Å; R336-Q340 WeakPolarHBondContact O-CG 3.35Å; R336-Q340 PolarHBondContact O-N 2.98Å; Q337-Q340 PolarHBondContact O-N 2.76Å; Q340-A342 PolarHBondContact O-N 3.29Å; Q340-L343 PolarHBondContact O-N 2.81Å; Q340-E344 WeakPolarHBondContact O-CB 3.44Å; Q340-E344 WeakPolarHBondContact O-CG 3.28Å; Q340-E344 PolarHBondContact O-N 2.78Å
341T38Very low47.8Very low69 Ų6986.3 Ų86.342%0.42342%0.42SS..Hα-helixtrans-64.9-31.8-175.448.90000114.7Q337 Q338 Q345Q337-T341 WeakPolarHBondContact O-CG2 3.35Å; Q337-T341 PolarHBondContact O-N 2.93Å; Q337-T341 PolarHBondContact O-OG1 2.94Å; Q338-T341 WeakPolarHBondContact CA-OG1 3.32Å; Q338-T341 PolarHBondContact O-OG1 3.31Å; T341-Q345 WeakPolarHBondContact O-CB 3.46Å; T341-Q345 WeakPolarHBondContact O-CG 3.5Å; T341-Q345 PolarHBondContact O-N 2.83Å
342A38.7Very low50.8Low43 Ų4380.7 Ų80.736%0.35539%0.391SS..Hα-helixtrans-79-29.1-179.500000113.4Q340Q340-A342 PolarHBondContact O-N 3.29Å
343L47.1Very low53.7Low27 Ų2773.4 Ų73.414%0.14136%0.36CS..Hα-helixtrans-88.3-30.1173.8-95.1129.5000112.3T339 Q340 Q345 R346T339-L343 HydrophobicContact CG2-CD1 4.49Å; T339-L343 PolarHBondContact O-N 3.29Å; Q340-L343 PolarHBondContact O-N 2.81Å; L343-Q345 PolarHBondContact O-N 3.38Å; L343-R346 PolarHBondContact O-N 3.05Å; L343-R346 VanDerWaalsContact O-N 3.17Å
344E42.8Very low56.4Low115 Ų11570.1 Ų70.154%0.53734%0.34SS..Hα-helixtrans-68.4-24172-75169.2172.600112.4Q340 R346Q340-E344 WeakPolarHBondContact O-CB 3.44Å; Q340-E344 WeakPolarHBondContact O-CG 3.28Å; Q340-E344 PolarHBondContact O-N 2.78Å; E344-R346 VanDerWaalsContact C-N 3.32Å
345Q40.7Very low59.1Low164 Ų16467.7 Ų67.777%0.76633%0.331SS*.THydrogen-bonded Turntrans-76.7-13.7171.2-80.2173.8-3.700113.9T341 L343T341-Q345 WeakPolarHBondContact O-CB 3.46Å; T341-Q345 WeakPolarHBondContact O-CG 3.5Å; T341-Q345 PolarHBondContact O-N 2.83Å; L343-Q345 PolarHBondContact O-N 3.38Å
346R55.9Low61.5Low80 Ų8064.2 Ų64.230%0.30231%0.312SS..SBendtrans-85.2124.9169.4-70-174176177.6-1.9108.1V161 H162 L343 E344 F348V161-R346 PolarHBondContact O-NH1 2.76Å; V161-R346 VanDerWaalsContact O-NH1 3.15Å; H162-R346 PolarHBondContact O-NE 2.99Å; H162-R346 PolarHBondContact O-NH1 2.97Å; L343-R346 PolarHBondContact O-N 3.05Å; L343-R346 VanDerWaalsContact O-N 3.17Å; E344-R346 VanDerWaalsContact C-N 3.32Å; R346-F348 PolarHBondContact O-N 3.17Å; R346-F348 VanDerWaalsContact O-N 3.15Å
347E58.3Low63.7Low144 Ų14457.8 Ų57.867%0.67329%0.293SS*.SBendtrans-56.7-34.5-173-153.6166.3-17100111.7K418E347-K418 PolarHBondContact O-NZ 3.33Å
348F64.7Low65.6Low45 Ų4556.1 Ų56.120%0.19729%0.293CS..  trans-138.8121.1-173.3-60.8-66.8000114.3F164 R346 F350F164-F348 HydrophobicContact CB-CB 4.09Å; F164-F348 HydrophobicContact CD1-CB 4.23Å; R346-F348 PolarHBondContact O-N 3.17Å; R346-F348 VanDerWaalsContact O-N 3.15Å; F348-F350 HydrophobicContact CB-CD2 3.91Å; F348-F350 HydrophobicContact CB-CE2 4.33Å; F348-F350 HydrophobicContact CD1-CD2 4.26Å; F348-F350 AromaticContact CD1-CE2 3.94Å; F348-F350 HydrophobicContact CD1-CE2 3.94Å; F348-F350 HydrophobicContact CG-CD2 4.49Å; F348-F350 PolarHBondContact O-N 3.31Å
349P82.4Confident67.7Low16 Ų1651.5 Ų51.510%0.10428%0.279CS..  trans-9735.7-179.541.5-38.2000113.2K418 H427 A428 V429P349-K418 HydrophobicContact CG-CG 4.38Å; P349-H427 VanDerWaalsContact CB-O 3.23Å; P349-H427 WeakPolarHBondContact CB-O 3.44Å; P349-A428 WeakPolarHBondContact O-CA 3.44Å; P349-V429 PolarHBondContact O-N 2.84Å
350F92.4Very high69.6Low0 Ų050.5 Ų50.50%027%0.272CS..BIsolated β-bridgetrans-95.9143.7-177.5-57.5-70.5000111.9F164 F348 R414 I417 K418 V429 Y432F164-F350 HydrophobicContact CB-CB 4.07Å; F164-F350 WeakPolarHBondContact CB-O 3.38Å; F164-F350 HydrophobicContact CD1-CD2 4.37Å; F164-F350 HydrophobicContact CD2-CB 3.74Å; F164-F350 HydrophobicContact CE2-CB 4.27Å; F164-F350 HydrophobicContact CG-CB 3.87Å; F348-F350 HydrophobicContact CB-CD2 3.91Å; F348-F350 HydrophobicContact CB-CE2 4.33Å; F348-F350 HydrophobicContact CD1-CD2 4.26Å; F348-F350 AromaticContact CD1-CE2 3.94Å; F348-F350 HydrophobicContact CD1-CE2 3.94Å; F348-F350 HydrophobicContact CG-CD2 4.49Å; F348-F350 PolarHBondContact O-N 3.31Å; F350-R414 HydrophobicContact CE2-CB 3.78Å; F350-R414 HydrophobicContact CE2-CG 4.02Å; F350-R414 HydrophobicContact CZ-CB 3.94Å; F350-R414 HydrophobicContact CZ-CG 4.29Å; F350-R414 WeakPolarHBondContact CZ-O 3.42Å; F350-I417 HydrophobicContact CE1-CB 4.33Å; F350-I417 HydrophobicContact CE1-CG2 3.82Å; F350-K418 HydrophobicContact CZ-CB 4.2Å; F350-V429 CarbonylContact C-O 3.31Å; F350-V429 WeakPolarHBondContact CA-O 3.36Å; F350-V429 HydrophobicContact CD1-CB 3.7Å; F350-V429 HydrophobicContact CD1-CG1 4.08Å; F350-V429 HydrophobicContact CD1-CG2 4.23Å; F350-V429 HydrophobicContact CE1-CB 4.02Å; F350-V429 HydrophobicContact CE1-CG1 4.39Å; F350-V429 HydrophobicContact CE1-CG2 4.05Å; F350-Y432 HydrophobicContact CB-CD1 4.31Å; F350-Y432 HydrophobicContact CB-CG 4.23Å; F350-Y432 AromaticContact CD1-CD2 3.7Å; F350-Y432 HydrophobicContact CD1-CD2 3.7Å; F350-Y432 AromaticContact CD1-CE2 3.94Å; F350-Y432 HydrophobicContact CD1-CE2 3.94Å; F350-Y432 HydrophobicContact CD1-CG 4.08Å; F350-Y432 HydrophobicContact CE1-CD2 4.25Å; F350-Y432 HydrophobicContact CE1-CE2 4.14Å; F350-Y432 HydrophobicContact CG-CD2 4.41Å; F350-Y432 HydrophobicContact CG-CG 4.41Å
351F93.1Very high71.7Confident4 Ų446.9 Ų46.92%0.01826%0.255CS..  trans-136.2128174.6-57.1-84.3000109.7V161 T241 L353 A428 V429 V430 G431 Y432 L454 M459V161-F351 HydrophobicContact CG1-CD1 3.9Å; V161-F351 HydrophobicContact CG1-CE1 3.58Å; T241-F351 HydrophobicContact CG2-CD1 3.71Å; T241-F351 HydrophobicContact CG2-CE1 4.42Å; F351-L353 PolarHBondContact O-N 2.69Å; F351-A428 HydrophobicContact CD2-CB 4.37Å; F351-A428 HydrophobicContact CE2-CB 3.98Å; F351-V429 PolarHBondContact N-O 3.49Å; F351-V430 HydrophobicContact CB-CG1 4.21Å; F351-V430 HydrophobicContact CD2-CG1 4.12Å; F351-V430 CarbonylContact O-C 3.59Å; F351-V430 WeakPolarHBondContact O-CA 3.46Å; F351-G431 PolarHBondContact O-N 2.98Å; F351-G431 VanDerWaalsContact O-N 3.1Å; F351-Y432 WeakPolarHBondContact O-CB 3.16Å; F351-Y432 PolarHBondContact O-N 2.76Å; F351-L454 HydrophobicContact CD2-CD1 3.93Å; F351-L454 HydrophobicContact CE2-CD1 3.42Å; F351-L454 VanDerWaalsContact CE2-CD1 3.42Å; F351-L454 HydrophobicContact CZ-CD1 4.01Å; F351-M459 HydrophobicContact CE1-CE 3.97Å; F351-M459 HydrophobicContact CE2-CE 4.36Å; F351-M459 HydrophobicContact CZ-CE 3.65Å; F351-M459 HydrophobicContact CZ-SD 4.29Å
352T94.4Very high74Confident8 Ų845.9 Ų45.95%0.04925%0.249CC..  trans-79.3-6.1176.455.90000113F164 V220 G221 I239 T241F164-T352 HydrophobicContact CE2-CG2 4.36Å; V220-T352 PolarHBondContact O-OG1 3.47Å; G221-T352 WeakPolarHBondContact O-CB 3.47Å; G221-T352 PolarHBondContact O-OG1 2.63Å; I239-T352 HydrophobicContact CB-CG2 4.49Å; I239-T352 HydrophobicContact CD1-CG2 4.01Å; I239-T352 HydrophobicContact CG1-CG2 4.06Å; T241-T352 PolarHBondContact N-OG1 2.78Å; T241-T352 PolarHBondContact OG1-N 3.43Å; T241-T352 PolarHBondContact OG1-OG1 3.14Å
353L92.9Very high76.4Confident4 Ų445.6 Ų45.62%0.02124%0.24CC..  trans-67137.1178-60.5176.2000111.6T150 V220 T241 F351 F356 G431T150-L353 CarbonylContact O-C 3.5Å; T150-L353 VanDerWaalsContact O-CA 3.27Å; T150-L353 WeakPolarHBondContact O-CA 3.21Å; V220-L353 HydrophobicContact CB-CD2 4.01Å; V220-L353 HydrophobicContact CG1-CD2 3.44Å; V220-L353 VanDerWaalsContact CG1-CD2 3.44Å; T241-L353 HydrophobicContact CG2-CD1 4.3Å; T241-L353 HydrophobicContact CG2-CG 4.42Å; F351-L353 PolarHBondContact O-N 2.69Å; L353-F356 HydrophobicContact CB-CD1 4.39Å; L353-F356 HydrophobicContact CB-CE1 3.51Å; L353-F356 HydrophobicContact CB-CZ 3.57Å; L353-F356 HydrophobicContact CD1-CE1 3.99Å; L353-F356 HydrophobicContact CG-CE1 4.39Å; L353-F356 WeakPolarHBondContact O-CZ 3.49Å; L353-G431 VanDerWaalsContact O-CA 3.3Å; L353-G431 WeakPolarHBondContact O-CA 3.36Å; L353-G431 PolarHBondContact O-N 3.05Å
354T92.1Very high78.4Confident24 Ų2444.5 Ų44.515%0.14724%0.235CC..  trans-108.5-18.217662.30000113.1T150 I518 D519T150-T354 WeakPolarHBondContact CB-OG1 3.45Å; T150-T354 HydrophobicContact CG2-CG2 4.46Å; T150-T354 PolarHBondContact O-N 3.45Å; T150-T354 PolarHBondContact OG1-OG1 3.4Å; T354-I518 WeakPolarHBondContact O-CB 3.33Å; T354-D519 WeakPolarHBondContact CB-OD2 3.5Å; T354-D519 PolarHBondContact O-N 3.19Å; T354-D519 PolarHBondContact OG1-OD2 3.04Å
355S89.3Confident80.4Confident45 Ų4539.7 Ų39.732%0.31522%0.216SC..  trans-130.9138.3179.4178.60000111.2T150T150-S355 PolarHBondContact O-N 3.3Å
356F84.6Confident82.8Confident24 Ų2432.5 Ų32.511%0.10519%0.185CC..  trans-133.3149.7-166.8-59.5-83.4000111.8L353 F360 L361 V430 I518L353-F356 HydrophobicContact CB-CD1 4.39Å; L353-F356 HydrophobicContact CB-CE1 3.51Å; L353-F356 HydrophobicContact CB-CZ 3.57Å; L353-F356 HydrophobicContact CD1-CE1 3.99Å; L353-F356 HydrophobicContact CG-CE1 4.39Å; L353-F356 WeakPolarHBondContact O-CZ 3.49Å; F356-F360 HydrophobicContact CB-CB 4.09Å; F356-F360 HydrophobicContact CB-CD1 3.85Å; F356-F360 HydrophobicContact CB-CG 4.22Å; F356-F360 AromaticContact CD1-CD1 3.27Å; F356-F360 HydrophobicContact CD1-CD1 3.27Å; F356-F360 AromaticContact CD1-CE1 3.24Å; F356-F360 HydrophobicContact CD1-CE1 3.24Å; F356-F360 HydrophobicContact CD1-CG 4.15Å; F356-F360 HydrophobicContact CD1-CZ 4.1Å; F356-F360 AromaticContact CE1-CD1 4Å; F356-F360 HydrophobicContact CE1-CD1 4Å; F356-F360 AromaticContact CE1-CE1 3.52Å; F356-F360 HydrophobicContact CE1-CE1 3.52Å; F356-F360 HydrophobicContact CE1-CZ 4.31Å; F356-F360 AromaticContact CG-CD1 3.72Å; F356-F360 HydrophobicContact CG-CD1 3.72Å; F356-F360 HydrophobicContact CG-CE1 4.12Å; F356-L361 HydrophobicContact CB-CG 4.37Å; F356-L361 HydrophobicContact CD2-CD1 3.81Å; F356-L361 HydrophobicContact CD2-CD2 4.21Å; F356-L361 HydrophobicContact CD2-CG 4.11Å; F356-L361 HydrophobicContact CE2-CD1 4.47Å; F356-L361 HydrophobicContact CE2-CD2 4.44Å; F356-L361 HydrophobicContact CG-CD1 4.4Å; F356-L361 HydrophobicContact CG-CD2 4.46Å; F356-L361 HydrophobicContact CG-CG 4.28Å; F356-V430 HydrophobicContact CE1-CG1 4.11Å; F356-V430 HydrophobicContact CE2-CB 3.95Å; F356-V430 HydrophobicContact CE2-CG1 4.22Å; F356-V430 HydrophobicContact CE2-CG2 4.28Å; F356-V430 HydrophobicContact CZ-CB 3.58Å; F356-V430 HydrophobicContact CZ-CG1 3.56Å; F356-V430 HydrophobicContact CZ-CG2 4.37Å; F356-I518 HydrophobicContact CE2-CG2 4.02Å
357P80.3Confident84.6Confident43 Ų4330.7 Ų30.728%0.27918%0.183SC..  trans-59.2152.2169.6-23.334.2000112.6I152 F360I152-P357 HydrophobicContact CD1-CG 3.56Å; P357-F360 WeakPolarHBondContact O-CB 3.38Å; P357-F360 PolarHBondContact O-N 3.2Å
358P76.9Confident86.3Confident84 Ų8424.1 Ų24.155%0.54515%0.153SC..THydrogen-bonded Turntrans-54.3139.1175.5-25.434.5000112.9F360P358-F360 PolarHBondContact O-N 2.67Å
359G74.9Confident87.7Confident29 Ų2923.7 Ų23.730%0.29916%0.156SC..THydrogen-bonded Turntrans71.66.1-178.500000116.2N455 E523G359-N455 WeakPolarHBondContact O-CB 3.42Å; G359-N455 PolarHBondContact O-ND2 3.19Å; G359-E523 PolarHBondContact N-OE2 2.92Å
360F81.3Confident88.3Confident7 Ų723.2 Ų23.23%0.03115%0.153CC..SBendtrans-74.3-44.3171.5-176.3-93.7000111.8F356 P357 P358 L454 N455 Y458 M459F356-F360 HydrophobicContact CB-CB 4.09Å; F356-F360 HydrophobicContact CB-CD1 3.85Å; F356-F360 HydrophobicContact CB-CG 4.22Å; F356-F360 AromaticContact CD1-CD1 3.27Å; F356-F360 HydrophobicContact CD1-CD1 3.27Å; F356-F360 AromaticContact CD1-CE1 3.24Å; F356-F360 HydrophobicContact CD1-CE1 3.24Å; F356-F360 HydrophobicContact CD1-CG 4.15Å; F356-F360 HydrophobicContact CD1-CZ 4.1Å; F356-F360 AromaticContact CE1-CD1 4Å; F356-F360 HydrophobicContact CE1-CD1 4Å; F356-F360 AromaticContact CE1-CE1 3.52Å; F356-F360 HydrophobicContact CE1-CE1 3.52Å; F356-F360 HydrophobicContact CE1-CZ 4.31Å; F356-F360 AromaticContact CG-CD1 3.72Å; F356-F360 HydrophobicContact CG-CD1 3.72Å; F356-F360 HydrophobicContact CG-CE1 4.12Å; P357-F360 WeakPolarHBondContact O-CB 3.38Å; P357-F360 PolarHBondContact O-N 3.2Å; P358-F360 PolarHBondContact O-N 2.67Å; F360-L454 HydrophobicContact CD1-CD2 3.99Å; F360-L454 HydrophobicContact CE1-CD1 3.99Å; F360-L454 HydrophobicContact CE1-CD2 3.6Å; F360-L454 HydrophobicContact CE1-CG 4.28Å; F360-L454 HydrophobicContact CZ-CD1 4.07Å; F360-L454 HydrophobicContact CZ-CD2 4.42Å; F360-N455 PolarHBondContact O-N 3.49Å; F360-Y458 HydrophobicContact CD2-CD1 4.3Å; F360-Y458 HydrophobicContact CD2-CD2 4.44Å; F360-Y458 AromaticContact CD2-CG 3.98Å; F360-Y458 HydrophobicContact CD2-CG 3.98Å; F360-M459 HydrophobicContact CE1-CE 4.46Å; F360-M459 HydrophobicContact CE2-CE 3.73Å; F360-M459 HydrophobicContact CZ-CE 3.38Å
361L85.8Confident88.4Confident9 Ų924.9 Ų24.95%0.04716%0.159CC..EExtended strand (participates in β ladder)trans-86.9120.8175.6-63.4175.8000109.2F356 V430 T452 L454 I518 P521F356-L361 HydrophobicContact CB-CG 4.37Å; F356-L361 HydrophobicContact CD2-CD1 3.81Å; F356-L361 HydrophobicContact CD2-CD2 4.21Å; F356-L361 HydrophobicContact CD2-CG 4.11Å; F356-L361 HydrophobicContact CE2-CD1 4.47Å; F356-L361 HydrophobicContact CE2-CD2 4.44Å; F356-L361 HydrophobicContact CG-CD1 4.4Å; F356-L361 HydrophobicContact CG-CD2 4.46Å; F356-L361 HydrophobicContact CG-CG 4.28Å; L361-V430 HydrophobicContact CD2-CG1 4.48Å; L361-V430 HydrophobicContact CD2-CG2 4.41Å; L361-T452 HydrophobicContact CD2-CG2 4.16Å; L361-L454 HydrophobicContact CD2-CD2 3.59Å; L361-I518 HydrophobicContact CD1-CD1 3.58Å; L361-P521 HydrophobicContact CD1-CG 4.21Å
362V86.5Confident88.4Confident48 Ų4825.7 Ų25.729%0.29117%0.165SC..EExtended strand (participates in β ladder)trans-94.3-50.4179.1-171.60000110.6I453 N455 G482 F483V362-I453 HydrophobicContact CB-CG2 4.15Å; V362-I453 WeakPolarHBondContact CB-O 3.4Å; V362-I453 PolarHBondContact N-O 2.93Å; V362-N455 HydrophobicContact CG2-CB 3.82Å; V362-G482 CarbonylContact O-C 3.57Å; V362-G482 VanDerWaalsContact O-O 3.06Å; V362-F483 WeakPolarHBondContact O-CA 3.5Å; V362-F483 PolarHBondContact O-N 2.84Å
363H87.7Confident88.4Confident37 Ų3726.7 Ų26.717%0.17117%0.171CC..EExtended strand (participates in β ladder)trans-140.8144.7179.2-62.5-71.3000110.8T452 I453 G482 H485 P487H363-T452 CarbonylContact O-C 3.52Å; H363-T452 VanDerWaalsContact O-CA 3.28Å; H363-T452 WeakPolarHBondContact O-CA 3.14Å; H363-T452 WeakPolarHBondContact O-CB 3.27Å; H363-I453 HydrophobicContact CB-CB 4.11Å; H363-I453 HydrophobicContact CB-CD1 4.35Å; H363-I453 HydrophobicContact CB-CG1 4.33Å; H363-I453 PolarHBondContact N-O 3.15Å; H363-I453 PolarHBondContact O-N 3.34Å; H363-G482 PolarHBondContact ND1-O 2.88Å; H363-H485 PolarHBondContact ND1-O 3.48Å; H363-P487 HydrophobicContact CB-CB 3.99Å
364V90.4Very high88.3Confident5 Ų527.9 Ų27.93%0.0318%0.176CC..EExtended strand (participates in β ladder)trans-109.1122.5172.3-178.70000109.2T450 T452 F483 L514 T516V364-T450 HydrophobicContact CG1-CG2 3.56Å; V364-T452 HydrophobicContact CG1-CG2 4.45Å; V364-T452 HydrophobicContact CG2-CG2 4.11Å; V364-F483 WeakPolarHBondContact CB-O 3.35Å; V364-F483 HydrophobicContact CG2-CB 4.25Å; V364-F483 HydrophobicContact CG2-CD2 3.98Å; V364-F483 WeakPolarHBondContact CG2-O 3.42Å; V364-F483 PolarHBondContact N-O 3.4Å; V364-L514 HydrophobicContact CB-CD1 4.5Å; V364-L514 HydrophobicContact CG1-CD1 3.96Å; V364-T516 HydrophobicContact CG1-CG2 3.85Å
365G84.7Confident88.1Confident14 Ų1427.8 Ų27.814%0.14418%0.175CC..EExtended strand (participates in β ladder)trans-84.4-33176.200000113.4A451G365-A451 PolarHBondContact N-O 3.13Å
366G89.7Confident87.8Confident12 Ų1225.9 Ų25.912%0.12416%0.161CC..EExtended strand (participates in β ladder)trans135.1-176.8179.700000113.1T450 A451G366-T450 CarbonylContact O-C 3.55Å; G366-T450 WeakPolarHBondContact O-CA 3.39Å; G366-A451 PolarHBondContact O-N 3.22Å
367V93.5Very high87.1Confident42 Ų4230 Ų3026%0.25518%0.184SC..EExtended strand (participates in β ladder)trans-74.3136.9176.3178.70000110.3G449 F515 T517 L583V367-G449 WeakPolarHBondContact CA-O 3.4Å; V367-F515 VanDerWaalsContact CG2-C 3.46Å; V367-F515 HydrophobicContact CG2-CB 3.78Å; V367-F515 WeakPolarHBondContact CG2-O 3.31Å; V367-T517 HydrophobicContact CG1-CG2 4.21Å; V367-T517 HydrophobicContact CG2-CG2 4.28Å; V367-L583 HydrophobicContact CG1-CD2 4.38Å; V367-L583 HydrophobicContact CG2-CD2 4Å
368V94.1Very high86.1Confident6 Ų634.5 Ų34.54%0.03620%0.195CC..EExtended strand (participates in β ladder)trans-119.8136.3169.2-69.80000108.4I417 H420 L424 V429 S448 G449 A451V368-I417 HydrophobicContact CB-CG2 4.26Å; V368-I417 HydrophobicContact CG2-CG2 3.66Å; V368-H420 HydrophobicContact CB-CB 4.15Å; V368-H420 HydrophobicContact CG1-CB 3.73Å; V368-L424 HydrophobicContact CG1-CD1 3.63Å; V368-V429 HydrophobicContact CG2-CG1 4.02Å; V368-V429 HydrophobicContact CG2-CG2 4.22Å; V368-S448 CarbonylContact O-C 3.17Å; V368-S448 WeakPolarHBondContact O-CA 3.31Å; V368-G449 WeakPolarHBondContact CG2-O 3.2Å; V368-G449 PolarHBondContact N-O 3.35Å; V368-G449 PolarHBondContact O-N 2.94Å; V368-G449 VanDerWaalsContact O-O 3.12Å; V368-A451 HydrophobicContact CG1-CB 3.94Å; V368-A451 HydrophobicContact CG2-CB 4.42Å
369S94.3Very high85.5Confident37 Ų3731.7 Ų31.726%0.25918%0.176SC..EExtended strand (participates in β ladder)trans-147.9147.1177.758.80000110.4A447S369-A447 VanDerWaalsContact CA-O 3.24Å; S369-A447 WeakPolarHBondContact CA-O 3.48Å
370A95Very high84.4Confident5 Ų536 Ų364%0.04119%0.188CC..EExtended strand (participates in β ladder)trans-138.2147.9173.700000109.4I413 E416 I417 A447A370-I413 HydrophobicContact CB-CG2 4.02Å; A370-E416 HydrophobicContact CB-CB 4.3Å; A370-E416 HydrophobicContact CB-CG 4.02Å; A370-I417 HydrophobicContact CB-CD1 4.2Å; A370-I417 HydrophobicContact CB-CG1 3.71Å; A370-A447 PolarHBondContact N-O 3.31Å; A370-A447 PolarHBondContact O-N 2.85Å
371R94.3Very high83.1Confident36 Ų3636.7 Ų36.714%0.13619%0.192CC..EExtended strand (participates in β ladder)trans-137.9139.2179-62.2-165.8172.482.61.3110.3L445 S446 E561 I587R371-L445 CarbonylContact C-O 3.49Å; R371-L445 VanDerWaalsContact CA-O 3.25Å; R371-L445 WeakPolarHBondContact CA-O 3.3Å; R371-S446 WeakPolarHBondContact CD-OG 3.36Å; R371-S446 PolarHBondContact NE-OG 3.43Å; R371-E561 VanDerWaalsContact CD-OE1 3.26Å; R371-E561 WeakPolarHBondContact CD-OE1 3.38Å; R371-E561 IonicContact CZ-OE1 2.66Å; R371-E561 IonicContact NE-OE1 3.47Å; R371-E561 IonicContact NH1-OE1 3.37Å; R371-E561 PolarHBondContact NH1-OE1 2.91Å; R371-E561 IonicContact NH1-OE2 2.69Å; R371-I587 VanDerWaalsContact NE-CD1 3.32Å
372S93.9Very high81.2Confident21 Ų2141.5 Ų41.515%0.14722%0.223CC..EExtended strand (participates in β ladder)trans-133.4138.6177.6-164.10000110.7K374 I444 L445S372-K374 VanDerWaalsContact OG-CE 3.29Å; S372-K374 WeakPolarHBondContact OG-CE 3.32Å; S372-I444 WeakPolarHBondContact O-CA 3.19Å; S372-L445 PolarHBondContact N-O 3.2Å; S372-L445 PolarHBondContact O-N 3.1Å
373V94Very high79.1Confident28 Ų2842.8 Ų42.817%0.1724%0.239CC..EExtended strand (participates in β ladder)trans-102.7122.8175-173.30000107.9V442 C443 I444 A550 I553 L557V373-V442 HydrophobicContact CG1-CG1 3.57Å; V373-C443 WeakPolarHBondContact CA-O 3.38Å; V373-I444 HydrophobicContact CG2-CG1 4.38Å; V373-A550 HydrophobicContact CG1-CB 3.78Å; V373-I553 HydrophobicContact CG1-CG2 4.46Å; V373-I553 HydrophobicContact CG2-CG2 3.87Å; V373-L557 HydrophobicContact CG2-CD1 3.58Å
374K91.1Very high77.3Confident29 Ų2943.5 Ų43.513%0.12624%0.244CC..EExtended strand (participates in β ladder)trans-125.8157.6-176.9-59.2-68-168.3179.10110.8S372 W409 E412 C443 L445S372-K374 VanDerWaalsContact OG-CE 3.29Å; S372-K374 WeakPolarHBondContact OG-CE 3.32Å; K374-W409 HydrophobicContact CB-CD2 4.04Å; K374-W409 HydrophobicContact CB-CE3 3.79Å; K374-W409 HydrophobicContact CB-CH2 3.54Å; K374-W409 HydrophobicContact CB-CZ2 3.83Å; K374-W409 HydrophobicContact CB-CZ3 3.53Å; K374-W409 HydrophobicContact CD-CD2 3.95Å; K374-W409 HydrophobicContact CD-CG 4.07Å; K374-W409 HydrophobicContact CD-CZ2 4.3Å; K374-W409 HydrophobicContact CG-CD2 3.68Å; K374-W409 HydrophobicContact CG-CE3 3.77Å; K374-W409 HydrophobicContact CG-CG 4.1Å; K374-W409 HydrophobicContact CG-CH2 4.29Å; K374-W409 HydrophobicContact CG-CZ2 4.24Å; K374-W409 HydrophobicContact CG-CZ3 4.08Å; K374-E412 IonicContact NZ-OE2 2.64Å; K374-E412 PolarHBondContact NZ-OE2 3.42Å; K374-C443 PolarHBondContact N-O 3.42Å; K374-C443 PolarHBondContact O-N 3.07Å; K374-L445 HydrophobicContact CG-CD1 4.17Å
375L88.5Confident75.2Confident23 Ų2346.4 Ų46.412%0.1228%0.275CS..EExtended strand (participates in β ladder)trans-107.4125.8177.3-68.7172.1000109.4D377 R378 W409 E441 V442 E547 A550L375-D377 VanDerWaalsContact C-N 3.33Å; L375-D377 PolarHBondContact O-N 3.4Å; L375-R378 HydrophobicContact CB-CG 4.42Å; L375-R378 PolarHBondContact O-N 3.43Å; L375-W409 WeakPolarHBondContact O-CH2 3.44Å; L375-E441 WeakPolarHBondContact CA-O 3.45Å; L375-V442 HydrophobicContact CD2-CG2 4Å; L375-E547 HydrophobicContact CD1-CB 4.02Å; L375-E547 HydrophobicContact CD1-CG 4.46Å; L375-A550 HydrophobicContact CD2-CB 3.83Å; L375-A550 HydrophobicContact CG-CB 4.3Å
376L81.9Confident73Confident4 Ų451.4 Ų51.42%0.02130%0.298CS..G310 helixtrans-67.4-33.4-176.6-64.8176000112.4E229 R378 I379 R406 W409 I438 E441 C443E229-L376 HydrophobicContact CB-CD1 4.07Å; E229-L376 HydrophobicContact CG-CD1 4.23Å; E229-L376 HydrophobicContact CG-CD2 4.21Å; L376-R378 PolarHBondContact O-N 2.92Å; L376-I379 HydrophobicContact CD2-CD1 3.9Å; L376-I379 WeakPolarHBondContact O-CG1 3.49Å; L376-I379 PolarHBondContact O-N 3.21Å; L376-I379 VanDerWaalsContact O-N 3.13Å; L376-R406 VanDerWaalsContact CD2-NH2 3.28Å; L376-W409 HydrophobicContact CD2-CZ3 4.49Å; L376-I438 HydrophobicContact CD1-CG2 3.91Å; L376-E441 PolarHBondContact N-O 3.26Å; L376-C443 HydrophobicContact CD2-CB 4.04Å; L376-C443 HydrophobicContact CG-CB 4.35Å
377D70.3Confident70.6Confident110 Ų11055.8 Ų55.859%0.58832%0.323SS*.G310 helixtrans-60.2-16.8179.2-69.7-1.5000115.1L375L375-D377 VanDerWaalsContact C-N 3.33Å; L375-D377 PolarHBondContact O-N 3.4Å
378R59.3Low67.9Low138 Ų13865.4 Ų65.452%0.52136%0.355SS..G310 helixtrans-93.7-4.1-178.2-63.8-171.1-177.5-176.73.5113.6L375 L376 E547L375-R378 HydrophobicContact CB-CG 4.42Å; L375-R378 PolarHBondContact O-N 3.43Å; L376-R378 PolarHBondContact O-N 2.92Å; R378-E547 IonicContact NH2-OE1 3.36Å; R378-E547 IonicContact NH2-OE2 3.8Å; R378-E547 PolarHBondContact NH2-OE2 2.98Å
379I63.4Low65.2Low26 Ų2669.6 Ų69.613%0.13338%0.384CS..BIsolated β-bridgetrans-78.9132.3-177.4-55.6174.6000110.3L376 N381 W409L376-I379 HydrophobicContact CD2-CD1 3.9Å; L376-I379 WeakPolarHBondContact O-CG1 3.49Å; L376-I379 PolarHBondContact O-N 3.21Å; L376-I379 VanDerWaalsContact O-N 3.13Å; I379-N381 WeakPolarHBondContact CG2-OD1 3.37Å; I379-W409 HydrophobicContact CD1-CE3 4.4Å; I379-W409 HydrophobicContact CD1-CH2 3.27Å; I379-W409 HydrophobicContact CD1-CZ2 4.13Å; I379-W409 HydrophobicContact CD1-CZ3 3.44Å; I379-W409 VanDerWaalsContact CD1-CZ3 3.44Å; I379-W409 HydrophobicContact CG1-CH2 3.16Å; I379-W409 HydrophobicContact CG1-CZ2 3.55Å; I379-W409 HydrophobicContact CG1-CZ3 3.85Å
380H53.2Low62.6Low119 Ų11978 Ų7855%0.55141%0.412SS*.  trans-93.7116162-151.578.1000108.3P382 P403 E404H380-P382 WeakPolarHBondContact O-CD 3.37Å; H380-P403 HydrophobicContact CB-CB 3.26Å; H380-P403 HydrophobicContact CB-CG 4.34Å; H380-E404 PolarHBondContact N-O 2.92Å
381N54.5Low59.7Low22 Ų2285.6 Ų85.612%0.11844%0.444CS..  trans-92.5102.4174.1-79.9-26.9000108.9V170 S232 I379 A383 L384V170-N381 HydrophobicContact CG1-CB 4.44Å; S232-N381 PolarHBondContact O-ND2 3.02Å; I379-N381 WeakPolarHBondContact CG2-OD1 3.37Å; N381-A383 PolarHBondContact O-N 2.78Å; N381-A383 VanDerWaalsContact O-N 3.13Å; N381-L384 HydrophobicContact CB-CB 3.9Å; N381-L384 HydrophobicContact CB-CD1 3.4Å; N381-L384 HydrophobicContact CB-CG 4.18Å; N381-L384 PolarHBondContact O-N 3.27Å
382P45.1Very low57Low109 Ų10992.4 Ų92.471%0.70848%0.482SS*.THydrogen-bonded Turntrans-63.4-21.2-176.624.4-33.7000113.3H380H380-P382 WeakPolarHBondContact O-CD 3.37Å
383A42.8Very low54.4Low76 Ų7698.3 Ų98.363%0.62851%0.511SS*.THydrogen-bonded Turntrans-78.3-25.5173.100000113.4N381 G385N381-A383 PolarHBondContact O-N 2.78Å; N381-A383 VanDerWaalsContact O-N 3.13Å; A383-G385 VanDerWaalsContact C-N 3.28Å; A383-G385 PolarHBondContact O-N 2.92Å
384L48.6Very low51.6Low51 Ų51102.9 Ų102.927%0.26753%0.534SS..  trans-82.776.6172.9-85.692.7000108.9V170 E172 N381 N386V170-L384 HydrophobicContact CG1-CD1 4.19Å; E172-L384 HydrophobicContact CG-CD1 4.36Å; E172-L384 HydrophobicContact CG-CD2 3.62Å; E172-L384 HydrophobicContact CG-CG 3.71Å; N381-L384 HydrophobicContact CB-CB 3.9Å; N381-L384 HydrophobicContact CB-CD1 3.4Å; N381-L384 HydrophobicContact CB-CG 4.18Å; N381-L384 PolarHBondContact O-N 3.27Å; L384-N386 PolarHBondContact O-N 2.91Å
385G47.3Very low49Very low66 Ų66113.8 Ų113.868%0.6858%0.575SS**  trans-65.473.2166.100000111.1A383A383-G385 VanDerWaalsContact C-N 3.28Å; A383-G385 PolarHBondContact O-N 2.92Å
386N38.9Very low46.4Very low119 Ų119119 Ų11964%0.63660%0.603SS**  trans-159.2106.3162.8-105.1-28.3000115.9L384 R388L384-N386 PolarHBondContact O-N 2.91Å; N386-R388 PolarHBondContact O-N 2.89Å
387T39Very low44.3Very low105 Ų105123 Ų12364%0.64463%0.632SS**  44.138.3108.2-170000120.4
388R35.8Very low42.7Very low244 Ų244124.4 Ų124.492%0.92164%0.644SS**  trans-141.264.3161.8-98-167.6-179.4-177.31.6114.4N386N386-R388 PolarHBondContact O-N 2.89Å
389S38.7Very low41.6Very low93 Ų93123 Ų12365%0.6565%0.651SS**  -177.469.4127.2-1700000109.2K391S389-K391 PolarHBondContact O-N 3.26Å; S389-K391 PolarHBondContact OG-N 3.2Å
390Y38.7Very low40.4Very low214 Ų214126.8 Ų126.884%0.83969%0.686SS**  trans-74.360.6146.8-71.9-80.3000107.8L392Y390-L392 PolarHBondContact O-N 3.38Å
391K35.6Very low40.1Very low165 Ų165128 Ų12872%0.71770%0.696SS**  trans-67.5118149.8-99.9-179.6178.5170.60103.9S389 L393S389-K391 PolarHBondContact O-N 3.26Å; S389-K391 PolarHBondContact OG-N 3.2Å; K391-L393 PolarHBondContact O-N 2.95Å
392L37.2Very low39.7Very low179 Ų179135.5 Ų135.594%0.93773%0.731SS**  trans-40.691.2161.9-95.5104.8000108.9Y390Y390-L392 PolarHBondContact O-N 3.38Å
393L38.7Very low40.1Very low145 Ų145134.1 Ų134.176%0.75972%0.722SS**  trans-103.3120.1162.2-75.3169.5000104.3K391 W395K391-L393 PolarHBondContact O-N 2.95Å; L393-W395 PolarHBondContact O-N 3.12Å
394D36.2Very low41.1Very low123 Ų123134.5 Ų134.566%0.65871%0.711SS**  trans-28.3118.1176.6-141.5-15.9000112.1N396 S397D394-N396 PolarHBondContact O-N 3.17Å; D394-S397 PolarHBondContact O-N 2.88Å
395W36.2Very low42.5Very low258 Ų258134.1 Ų134.198%0.97771%0.711SS**THydrogen-bonded Turntrans-61.65.8176.3-95.485000113.8L393L393-W395 PolarHBondContact O-N 3.12Å
396N33.9Very low44.2Very low132 Ų132131.2 Ų131.271%0.70668%0.679SS**THydrogen-bonded Turntrans-108.52-177.5-74.2-27.3000114.5D394 V398D394-N396 PolarHBondContact O-N 3.17Å; N396-V398 PolarHBondContact O-N 3.38Å; N396-V398 VanDerWaalsContact O-N 3.15Å
397S36.8Very low46.4Very low90 Ų90128.7 Ų128.763%0.62967%0.665SS**  trans-8392169.373.90000110.6D394 T399D394-S397 PolarHBondContact O-N 2.88Å; S397-T399 VanDerWaalsContact C-N 3.34Å; S397-T399 PolarHBondContact O-N 3.44Å
398V38Very low48.7Very low138 Ų138125.8 Ų125.884%0.83665%0.652SS**  trans-64.990.3170.6177.10000109N396N396-V398 PolarHBondContact O-N 3.38Å; N396-V398 VanDerWaalsContact O-N 3.15Å
399T34.8Very low51.4Low110 Ų110114.3 Ų114.368%0.67561%0.609SS**  trans173.974.515624.30000106.6S397 D401S397-T399 VanDerWaalsContact C-N 3.34Å; S397-T399 PolarHBondContact O-N 3.44Å; T399-D401 VanDerWaalsContact C-N 3.26Å; T399-D401 PolarHBondContact O-N 2.87Å; T399-D401 VanDerWaalsContact O-N 3.12Å
400A38.8Very low53.9Low105 Ų105110 Ų11087%0.86858%0.578SS**  trans-78.487.3165.100000106.4
401D47.3Very low56.3Low143 Ų143103.7 Ų103.777%0.76556%0.556SS**PPolyproline II helixtrans-58.6139.5170-72.5-27.4000108.6T399T399-D401 VanDerWaalsContact C-N 3.26Å; T399-D401 PolarHBondContact O-N 2.87Å; T399-D401 VanDerWaalsContact O-N 3.12Å
402E46.4Very low59Low181 Ų181100.3 Ų100.385%0.84654%0.543SS*.PPolyproline II helixtrans-55140177.4-72.4179.1159.100110.3E404E402-E404 PolarHBondContact O-N 2.81Å
403P52.3Low61.7Low80 Ų8091.8 Ų91.852%0.51950%0.499SS..PPolyproline II helixtrans-60.2123.7179.920.1-29.4000111.6H380 T405H380-P403 HydrophobicContact CB-CB 3.26Å; H380-P403 HydrophobicContact CB-CG 4.34Å; P403-T405 PolarHBondContact O-N 3.34Å
404E64.1Low64.3Low84 Ų8485.1 Ų85.139%0.39346%0.463SS..BIsolated β-bridgetrans-66127.7173.3-67.4-174.6-162.600110.2H380 E402 W409H380-E404 PolarHBondContact N-O 2.92Å; E402-E404 PolarHBondContact O-N 2.81Å; E404-W409 PolarHBondContact OE2-NE1 3.23Å
405T77.3Confident67Low43 Ų4384.6 Ų84.626%0.26446%0.457SS..  trans-111.6155.8176.659.90000110.8P403 D407 A408 W409P403-T405 PolarHBondContact O-N 3.34Å; T405-D407 PolarHBondContact O-N 2.76Å; T405-A408 PolarHBondContact O-N 3.2Å; T405-A408 VanDerWaalsContact O-N 3.16Å; T405-A408 WeakPolarHBondContact OG1-CB 3.46Å; T405-A408 PolarHBondContact OG1-N 2.92Å; T405-W409 PolarHBondContact O-N 3.02Å
406R83.6Confident69.7Low4 Ų476.1 Ų76.12%0.01543%0.428CS..Hα-helixtrans-59.5-33.6176.4-175.855.759.284.914.6112.4L168 D227 E229 V235 L376 W409 W410L168-R406 HydrophobicContact CD2-CB 4.01Å; L168-R406 HydrophobicContact CD2-CG 3.85Å; D227-R406 IonicContact OD2-NH1 3.58Å; E229-R406 IonicContact OE1-CZ 2.66Å; E229-R406 IonicContact OE1-NH1 3.93Å; E229-R406 PolarHBondContact OE1-NH1 2.97Å; E229-R406 IonicContact OE1-NH2 3.89Å; E229-R406 PolarHBondContact OE1-NH2 2.77Å; E229-R406 IonicContact OE2-CZ 2.65Å; E229-R406 IonicContact OE2-NH2 3.32Å; E229-R406 PolarHBondContact OE2-NH2 3.49Å; V235-R406 HydrophobicContact CG1-CG 4.36Å; L376-R406 VanDerWaalsContact CD2-NH2 3.28Å; R406-W409 VanDerWaalsContact NE-CE3 3.34Å; R406-W409 PolarHBondContact O-N 2.9Å; R406-W410 VanDerWaalsContact O-CD1 3.32Å; R406-W410 PolarHBondContact O-N 2.93Å
407D85.1Confident72.6Confident66 Ų6669.8 Ų69.835%0.35339%0.394SS..Hα-helixtrans-60.8-49.3174.3-74.3-55.9000111.7L168 T405 W409 W410 E411L168-D407 HydrophobicContact CD2-CB 4.35Å; L168-D407 VanDerWaalsContact CD2-CG 3.43Å; L168-D407 WeakPolarHBondContact CD2-OD1 3.05Å; L168-D407 WeakPolarHBondContact CG-OD1 3.42Å; T405-D407 PolarHBondContact O-N 2.76Å; D407-W409 VanDerWaalsContact C-N 3.27Å; D407-W409 PolarHBondContact O-N 3.32Å; D407-W410 PolarHBondContact O-N 3.35Å; D407-W410 VanDerWaalsContact O-N 3.14Å; D407-E411 PolarHBondContact O-N 3.12Å
408A88.3Confident75.2Confident44 Ų4468.1 Ų68.136%0.36438%0.376SS..Hα-helixtrans-60-37.8-179.600000112.2T405 E411 E412T405-A408 PolarHBondContact O-N 3.2Å; T405-A408 VanDerWaalsContact O-N 3.16Å; T405-A408 WeakPolarHBondContact OG1-CB 3.46Å; T405-A408 PolarHBondContact OG1-N 2.92Å; A408-E411 PolarHBondContact O-N 2.83Å; A408-E412 WeakPolarHBondContact O-CB 3.45Å; A408-E412 PolarHBondContact O-N 3.1Å
409W90.8Very high77.7Confident4 Ų464.4 Ų64.42%0.01536%0.356CS..Hα-helixtrans-64.9-41176.4-65.6-10.7000113.1K374 L375 L376 I379 E404 T405 R406 D407 I413 L445K374-W409 HydrophobicContact CB-CD2 4.04Å; K374-W409 HydrophobicContact CB-CE3 3.79Å; K374-W409 HydrophobicContact CB-CH2 3.54Å; K374-W409 HydrophobicContact CB-CZ2 3.83Å; K374-W409 HydrophobicContact CB-CZ3 3.53Å; K374-W409 HydrophobicContact CD-CD2 3.95Å; K374-W409 HydrophobicContact CD-CG 4.07Å; K374-W409 HydrophobicContact CD-CZ2 4.3Å; K374-W409 HydrophobicContact CG-CD2 3.68Å; K374-W409 HydrophobicContact CG-CE3 3.77Å; K374-W409 HydrophobicContact CG-CG 4.1Å; K374-W409 HydrophobicContact CG-CH2 4.29Å; K374-W409 HydrophobicContact CG-CZ2 4.24Å; K374-W409 HydrophobicContact CG-CZ3 4.08Å; L375-W409 WeakPolarHBondContact O-CH2 3.44Å; L376-W409 HydrophobicContact CD2-CZ3 4.49Å; I379-W409 HydrophobicContact CD1-CE3 4.4Å; I379-W409 HydrophobicContact CD1-CH2 3.27Å; I379-W409 HydrophobicContact CD1-CZ2 4.13Å; I379-W409 HydrophobicContact CD1-CZ3 3.44Å; I379-W409 VanDerWaalsContact CD1-CZ3 3.44Å; I379-W409 HydrophobicContact CG1-CH2 3.16Å; I379-W409 HydrophobicContact CG1-CZ2 3.55Å; I379-W409 HydrophobicContact CG1-CZ3 3.85Å; E404-W409 PolarHBondContact OE2-NE1 3.23Å; T405-W409 PolarHBondContact O-N 3.02Å; R406-W409 VanDerWaalsContact NE-CE3 3.34Å; R406-W409 PolarHBondContact O-N 2.9Å; D407-W409 VanDerWaalsContact C-N 3.27Å; D407-W409 PolarHBondContact O-N 3.32Å; W409-I413 WeakPolarHBondContact O-CG1 3.5Å; W409-I413 PolarHBondContact O-N 2.84Å; W409-L445 HydrophobicContact CB-CD1 3.61Å; W409-L445 HydrophobicContact CE3-CD1 4.11Å; W409-L445 HydrophobicContact CG-CD1 4.41Å
410W91.8Very high80.4Confident3 Ų362.3 Ų62.31%0.01134%0.339CS..Hα-helixtrans-71.2-36.5175.9-78.3117.3000111.9R237 R406 D407 E412 I413 R414 E434 L445 A447R237-W410 VanDerWaalsContact NH2-CZ2 3.26Å; R406-W410 VanDerWaalsContact O-CD1 3.32Å; R406-W410 PolarHBondContact O-N 2.93Å; D407-W410 PolarHBondContact O-N 3.35Å; D407-W410 VanDerWaalsContact O-N 3.14Å; W410-E412 VanDerWaalsContact C-N 3.35Å; W410-E412 PolarHBondContact O-N 2.95Å; W410-I413 HydrophobicContact CE3-CD1 4.32Å; W410-I413 HydrophobicContact CZ3-CD1 4.37Å; W410-I413 PolarHBondContact O-N 3.19Å; W410-R414 WeakPolarHBondContact O-CG 3.38Å; W410-R414 PolarHBondContact O-N 3.42Å; W410-E434 HydrophobicContact CE3-CB 4.44Å; W410-E434 HydrophobicContact CE3-CG 4.13Å; W410-E434 HydrophobicContact CH2-CB 3.86Å; W410-E434 HydrophobicContact CH2-CG 4.39Å; W410-E434 HydrophobicContact CZ3-CB 3.77Å; W410-E434 HydrophobicContact CZ3-CG 3.8Å; W410-L445 HydrophobicContact CH2-CB 3.96Å; W410-L445 HydrophobicContact CH2-CD2 4.06Å; W410-L445 HydrophobicContact CZ2-CB 4.31Å; W410-L445 HydrophobicContact CZ2-CD2 3.55Å; W410-L445 HydrophobicContact CZ2-CG 4.39Å; W410-L445 HydrophobicContact CZ3-CB 4.17Å; W410-A447 HydrophobicContact CZ3-CB 4.42Å
411E90.4Very high82.9Confident80 Ų8057.5 Ų57.537%0.37430%0.299SS..Hα-helixtrans-61.3-43.4175.1-165-175.7165.100111.5D407 A408 I413 R414 Q415D407-E411 PolarHBondContact O-N 3.12Å; A408-E411 PolarHBondContact O-N 2.83Å; E411-I413 PolarHBondContact O-N 2.92Å; E411-R414 PolarHBondContact O-N 2.91Å; E411-Q415 HydrophobicContact CG-CG 4.45Å; E411-Q415 WeakPolarHBondContact O-CB 3.23Å; E411-Q415 VanDerWaalsContact O-CG 3.3Å; E411-Q415 WeakPolarHBondContact O-CG 3.17Å; E411-Q415 PolarHBondContact O-N 3.46Å; E411-Q415 PolarHBondContact OE1-NE2 3.01Å
412E91.8Very high84.9Confident94 Ų9456.6 Ų56.644%0.43929%0.288SS..Hα-helixtrans-54.9-50.2175.4-174.1-172.9173.300111.5K374 A408 W410 R414 Q415 E416K374-E412 IonicContact NZ-OE2 2.64Å; K374-E412 PolarHBondContact NZ-OE2 3.42Å; A408-E412 WeakPolarHBondContact O-CB 3.45Å; A408-E412 PolarHBondContact O-N 3.1Å; W410-E412 VanDerWaalsContact C-N 3.35Å; W410-E412 PolarHBondContact O-N 2.95Å; E412-R414 VanDerWaalsContact C-N 3.34Å; E412-R414 PolarHBondContact O-N 2.94Å; E412-Q415 PolarHBondContact O-N 2.98Å; E412-E416 PolarHBondContact O-N 2.8Å
413I93.8Very high86.8Confident1 Ų150.9 Ų50.91%0.00527%0.272CS..Hα-helixtrans-63.9-40.1179.8-68.7175.2000111.4A370 W409 W410 E411 E416 I417 L445 A447A370-I413 HydrophobicContact CB-CG2 4.02Å; W409-I413 WeakPolarHBondContact O-CG1 3.5Å; W409-I413 PolarHBondContact O-N 2.84Å; W410-I413 HydrophobicContact CE3-CD1 4.32Å; W410-I413 HydrophobicContact CZ3-CD1 4.37Å; W410-I413 PolarHBondContact O-N 3.19Å; E411-I413 PolarHBondContact O-N 2.92Å; I413-E416 WeakPolarHBondContact O-CB 3.45Å; I413-E416 PolarHBondContact O-N 2.71Å; I413-I417 HydrophobicContact CG2-CD1 4.22Å; I413-I417 WeakPolarHBondContact O-CG1 3.22Å; I413-I417 PolarHBondContact O-N 2.79Å; I413-L445 HydrophobicContact CD1-CB 3.28Å; I413-L445 HydrophobicContact CD1-CD1 3.85Å; I413-L445 HydrophobicContact CD1-CG 4.22Å; I413-A447 HydrophobicContact CG2-CB 3.56Å
414R93.1Very high88.5Confident5 Ų547.9 Ų47.92%0.01925%0.251CS..Hα-helixtrans-65.9-41.7175.9-75.3-177.6-154.2116.82.9111.6E166 F350 W410 E411 E412 E416 I417 K418 Y432 E434E166-R414 IonicContact OE1-CZ 3.09Å; E166-R414 IonicContact OE1-NE 2.65Å; E166-R414 IonicContact OE1-NH1 3.16Å; E166-R414 PolarHBondContact OE1-NH1 3.42Å; E166-R414 IonicContact OE1-NH2 3.83Å; E166-R414 IonicContact OE2-CZ 2.76Å; E166-R414 IonicContact OE2-NE 3.86Å; E166-R414 IonicContact OE2-NH1 3.98Å; E166-R414 PolarHBondContact OE2-NH1 3.3Å; E166-R414 IonicContact OE2-NH2 2.95Å; E166-R414 PolarHBondContact OE2-NH2 3.18Å; F350-R414 HydrophobicContact CE2-CB 3.78Å; F350-R414 HydrophobicContact CE2-CG 4.02Å; F350-R414 HydrophobicContact CZ-CB 3.94Å; F350-R414 HydrophobicContact CZ-CG 4.29Å; F350-R414 WeakPolarHBondContact CZ-O 3.42Å; W410-R414 WeakPolarHBondContact O-CG 3.38Å; W410-R414 PolarHBondContact O-N 3.42Å; E411-R414 PolarHBondContact O-N 2.91Å; E412-R414 VanDerWaalsContact C-N 3.34Å; E412-R414 PolarHBondContact O-N 2.94Å; R414-E416 VanDerWaalsContact C-N 3.27Å; R414-E416 PolarHBondContact O-N 2.94Å; R414-I417 PolarHBondContact O-N 2.8Å; R414-K418 VanDerWaalsContact O-CB 3.28Å; R414-K418 WeakPolarHBondContact O-CB 3.28Å; R414-K418 PolarHBondContact O-N 2.79Å; R414-Y432 VanDerWaalsContact CG-OH 3.25Å; R414-Y432 WeakPolarHBondContact CG-OH 3.38Å; R414-E434 IonicContact CZ-OE1 3.87Å; R414-E434 IonicContact NE-OE1 2.84Å; R414-E434 PolarHBondContact NE-OE1 3.14Å; R414-E434 IonicContact NH2-OE1 2.68Å; R414-E434 PolarHBondContact NH2-OE1 3.28Å; R414-E434 IonicContact NH2-OE2 3.95Å; R414-E434 PolarHBondContact NH2-OE2 3.46Å
415Q91.9Very high89.6Confident111 Ų11145.8 Ų45.852%0.51925%0.252SS..Hα-helixtrans-61.2-39.4175.3-71.6-179.610.700111.1E411 E412 K418 S419E411-Q415 HydrophobicContact CG-CG 4.45Å; E411-Q415 WeakPolarHBondContact O-CB 3.23Å; E411-Q415 VanDerWaalsContact O-CG 3.3Å; E411-Q415 WeakPolarHBondContact O-CG 3.17Å; E411-Q415 PolarHBondContact O-N 3.46Å; E411-Q415 PolarHBondContact OE1-NE2 3.01Å; E412-Q415 PolarHBondContact O-N 2.98Å; Q415-K418 PolarHBondContact O-N 2.81Å; Q415-S419 PolarHBondContact O-N 3.42Å
416E93.8Very high90.2Very high80 Ų8044 Ų4437%0.37424%0.241SC..Hα-helixtrans-62.4-50.6173.8-174.9173.6-168.600112A370 E412 I413 R414 K418 S419 H420A370-E416 HydrophobicContact CB-CB 4.3Å; A370-E416 HydrophobicContact CB-CG 4.02Å; E412-E416 PolarHBondContact O-N 2.8Å; I413-E416 WeakPolarHBondContact O-CB 3.45Å; I413-E416 PolarHBondContact O-N 2.71Å; R414-E416 VanDerWaalsContact C-N 3.27Å; R414-E416 PolarHBondContact O-N 2.94Å; E416-K418 VanDerWaalsContact C-N 3.3Å; E416-K418 PolarHBondContact O-N 2.86Å; E416-S419 WeakPolarHBondContact O-CA 3.47Å; E416-S419 VanDerWaalsContact O-CB 3.31Å; E416-S419 WeakPolarHBondContact O-CB 3.39Å; E416-S419 PolarHBondContact O-N 3.26Å; E416-S419 PolarHBondContact O-OG 3.03Å; E416-H420 PolarHBondContact O-N 2.79Å; E416-H420 IonicContact OE1-NE2 3.92Å
417I94.1Very high90.4Very high0 Ų046.9 Ų46.90%026%0.255CS..Hα-helixtrans-60.7-40177.2-69.3176.7000111.5F350 V368 A370 I413 R414 S419 H420 A421 V429 Y432 A447F350-I417 HydrophobicContact CE1-CB 4.33Å; F350-I417 HydrophobicContact CE1-CG2 3.82Å; V368-I417 HydrophobicContact CB-CG2 4.26Å; V368-I417 HydrophobicContact CG2-CG2 3.66Å; A370-I417 HydrophobicContact CB-CD1 4.2Å; A370-I417 HydrophobicContact CB-CG1 3.71Å; I413-I417 HydrophobicContact CG2-CD1 4.22Å; I413-I417 WeakPolarHBondContact O-CG1 3.22Å; I413-I417 PolarHBondContact O-N 2.79Å; R414-I417 PolarHBondContact O-N 2.8Å; I417-S419 VanDerWaalsContact C-N 3.26Å; I417-S419 PolarHBondContact O-N 2.78Å; I417-H420 PolarHBondContact O-N 2.76Å; I417-A421 PolarHBondContact O-N 2.61Å; I417-V429 HydrophobicContact CG2-CG1 4.27Å; I417-V429 HydrophobicContact CG2-CG2 4.16Å; I417-Y432 HydrophobicContact CD1-CE2 3.89Å; I417-A447 HydrophobicContact CD1-CB 3.36Å
418K92.3Very high90.7Very high54 Ų5443.7 Ų43.724%0.23524%0.238CC..Hα-helixtrans-60.6-38.8174.4-175.7177.2-176.5175.20110.8E347 P349 F350 R414 Q415 E416 K422E347-K418 PolarHBondContact O-NZ 3.33Å; P349-K418 HydrophobicContact CG-CG 4.38Å; F350-K418 HydrophobicContact CZ-CB 4.2Å; R414-K418 VanDerWaalsContact O-CB 3.28Å; R414-K418 WeakPolarHBondContact O-CB 3.28Å; R414-K418 PolarHBondContact O-N 2.79Å; Q415-K418 PolarHBondContact O-N 2.81Å; E416-K418 VanDerWaalsContact C-N 3.3Å; E416-K418 PolarHBondContact O-N 2.86Å; K418-K422 WeakPolarHBondContact O-CG 3.28Å; K418-K422 PolarHBondContact O-N 2.85Å; K418-K422 VanDerWaalsContact O-N 3.08Å
419S90.5Very high91Very high61 Ų6141.6 Ų41.643%0.42722%0.221SC..Hα-helixtrans-65.1-42.3175.6870000111.9Q415 E416 I417 K422 A423Q415-S419 PolarHBondContact O-N 3.42Å; E416-S419 WeakPolarHBondContact O-CA 3.47Å; E416-S419 VanDerWaalsContact O-CB 3.31Å; E416-S419 WeakPolarHBondContact O-CB 3.39Å; E416-S419 PolarHBondContact O-N 3.26Å; E416-S419 PolarHBondContact O-OG 3.03Å; I417-S419 VanDerWaalsContact C-N 3.26Å; I417-S419 PolarHBondContact O-N 2.78Å; S419-K422 PolarHBondContact O-N 2.95Å; S419-A423 PolarHBondContact O-N 2.95Å
420H90.9Very high91.2Very high66 Ų6641.4 Ų41.431%0.30622%0.22SC..Hα-helixtrans-63.9-43.6176.4-64.4-21.5000112.3V368 E416 I417 K422 A423 L424V368-H420 HydrophobicContact CB-CB 4.15Å; V368-H420 HydrophobicContact CG1-CB 3.73Å; E416-H420 PolarHBondContact O-N 2.79Å; E416-H420 IonicContact OE1-NE2 3.92Å; I417-H420 PolarHBondContact O-N 2.76Å; H420-K422 VanDerWaalsContact C-N 3.33Å; H420-K422 PolarHBondContact O-N 3.36Å; H420-A423 WeakPolarHBondContact O-CB 3.36Å; H420-A423 PolarHBondContact O-N 3.36Å; H420-L424 WeakPolarHBondContact O-CG 3.25Å; H420-L424 PolarHBondContact O-N 2.97Å
421A91.3Very high91.3Very high4 Ų441.6 Ų41.63%0.03322%0.222CC..Hα-helixtrans-61.7-41.5176.500000111.9I417 L424 G425 C426 V429 A451I417-A421 PolarHBondContact O-N 2.61Å; A421-L424 CarbonylContact O-C 3.6Å; A421-L424 WeakPolarHBondContact O-CB 3.36Å; A421-L424 PolarHBondContact O-N 2.86Å; A421-G425 PolarHBondContact O-N 2.94Å; A421-C426 CarbonylContact C-O 3.52Å; A421-C426 WeakPolarHBondContact O-CA 3.39Å; A421-C426 WeakPolarHBondContact O-CB 3.42Å; A421-C426 PolarHBondContact O-N 3.39Å; A421-V429 HydrophobicContact CB-CG2 3.59Å; A421-A451 HydrophobicContact CB-CB 3.96Å
422K88.7Confident91.6Very high123 Ų12338.1 Ų38.154%0.53521%0.206SC..Hα-helixtrans-64.6-39.1175-75.5-179.2178.2-172.10112.6K418 S419 H420 L424 G425K418-K422 WeakPolarHBondContact O-CG 3.28Å; K418-K422 PolarHBondContact O-N 2.85Å; K418-K422 VanDerWaalsContact O-N 3.08Å; S419-K422 PolarHBondContact O-N 2.95Å; H420-K422 VanDerWaalsContact C-N 3.33Å; H420-K422 PolarHBondContact O-N 3.36Å; K422-L424 PolarHBondContact O-N 3.44Å; K422-G425 PolarHBondContact O-N 3.22Å
423A87.7Confident91.7Very high61 Ų6135.4 Ų35.450%0.50420%0.197SC..Hα-helixtrans-60.9-36.4174.600000111.5S419 H420 G425 P494S419-A423 PolarHBondContact O-N 2.95Å; H420-A423 WeakPolarHBondContact O-CB 3.36Å; H420-A423 PolarHBondContact O-N 3.36Å; A423-G425 PolarHBondContact O-N 3.18Å; A423-P494 WeakPolarHBondContact O-CB 3.4Å; A423-P494 WeakPolarHBondContact O-CG 3.28Å
424L87.3Confident91.6Very high17 Ų1735.7 Ų35.79%0.08920%0.198CC..THydrogen-bonded Turntrans-75.59.4172-66.8172.7000114.1V368 H420 A421 K422 C426 A451 P487 Y488 P494 F495V368-L424 HydrophobicContact CG1-CD1 3.63Å; H420-L424 WeakPolarHBondContact O-CG 3.25Å; H420-L424 PolarHBondContact O-N 2.97Å; A421-L424 CarbonylContact O-C 3.6Å; A421-L424 WeakPolarHBondContact O-CB 3.36Å; A421-L424 PolarHBondContact O-N 2.86Å; K422-L424 PolarHBondContact O-N 3.44Å; L424-C426 PolarHBondContact O-N 2.97Å; L424-C426 VanDerWaalsContact O-N 3.15Å; L424-C426 PolarHBondContact O-SG 3.35Å; L424-A451 HydrophobicContact CB-CB 4.43Å; L424-A451 HydrophobicContact CD1-CB 3.72Å; L424-P487 VanDerWaalsContact O-CG 3.26Å; L424-P487 WeakPolarHBondContact O-CG 3.4Å; L424-Y488 HydrophobicContact CD2-CE1 4.36Å; L424-Y488 WeakPolarHBondContact O-CD1 3.36Å; L424-P494 HydrophobicContact CD2-CG 4.16Å; L424-F495 HydrophobicContact CD2-CE1 3.56Å; L424-F495 HydrophobicContact CD2-CZ 4.05Å
425G86.3Confident91.6Very high40 Ų4037.9 Ų37.941%0.41221%0.211SC..THydrogen-bonded Turntrans66.513.2-178.200000114.6A421 K422 A423A421-G425 PolarHBondContact O-N 2.94Å; K422-G425 PolarHBondContact O-N 3.22Å; A423-G425 PolarHBondContact O-N 3.18Å
426C89.9Confident91.6Very high5 Ų533.5 Ų33.53%0.03419%0.192CC..  trans-95.5152.4-179.4-65.80000111.1A421 L424 A451 T452A421-C426 CarbonylContact C-O 3.52Å; A421-C426 WeakPolarHBondContact O-CA 3.39Å; A421-C426 WeakPolarHBondContact O-CB 3.42Å; A421-C426 PolarHBondContact O-N 3.39Å; L424-C426 PolarHBondContact O-N 2.97Å; L424-C426 VanDerWaalsContact O-N 3.15Å; L424-C426 PolarHBondContact O-SG 3.35Å; C426-A451 HydrophobicContact CB-CB 3.83Å; C426-A451 VanDerWaalsContact SG-C 3.58Å; C426-T452 WeakPolarHBondContact CB-O 3.4Å
427H89.3Confident91.5Very high65 Ų6530.2 Ų30.230%0.30118%0.178SC..SBendtrans-113.7-1.5179.965.4-105.6000113.5P349 T452 I453 L454P349-H427 VanDerWaalsContact CB-O 3.23Å; P349-H427 WeakPolarHBondContact CB-O 3.44Å; H427-T452 PolarHBondContact N-O 3.01Å; H427-I453 VanDerWaalsContact CE1-CG2 3.45Å; H427-I453 WeakPolarHBondContact CE1-CG2 3.32Å; H427-L454 PolarHBondContact CE1-N 2.68Å; H427-L454 PolarHBondContact CE1-O 3.31Å; H427-L454 PolarHBondContact NE2-N 3.29Å; H427-L454 VanDerWaalsContact NE2-N 3.12Å
428A91.5Very high91.3Very high0 Ų032.4 Ų32.40%019%0.189CC..EExtended strand (participates in β ladder)trans-142.8157.5179.700000112.2P349 F351 A451 T452 L454P349-A428 WeakPolarHBondContact O-CA 3.44Å; F351-A428 HydrophobicContact CD2-CB 4.37Å; F351-A428 HydrophobicContact CE2-CB 3.98Å; A428-A451 WeakPolarHBondContact O-CA 3.23Å; A428-T452 PolarHBondContact N-O 3.24Å; A428-T452 VanDerWaalsContact N-O 3.12Å; A428-T452 PolarHBondContact O-N 3.12Å; A428-L454 HydrophobicContact CB-CD1 3.5Å; A428-L454 VanDerWaalsContact CB-CD1 3.5Å; A428-L454 HydrophobicContact CB-CG 3.64Å
429V94.8Very high91.2Very high0 Ų030.5 Ų30.50%018%0.182CC..EExtended strand (participates in β ladder)trans-126.3119.5173.3179.10000108.6P349 F350 F351 V368 I417 A421 Y432 T450P349-V429 PolarHBondContact O-N 2.84Å; F350-V429 CarbonylContact C-O 3.31Å; F350-V429 WeakPolarHBondContact CA-O 3.36Å; F350-V429 HydrophobicContact CD1-CB 3.7Å; F350-V429 HydrophobicContact CD1-CG1 4.08Å; F350-V429 HydrophobicContact CD1-CG2 4.23Å; F350-V429 HydrophobicContact CE1-CB 4.02Å; F350-V429 HydrophobicContact CE1-CG1 4.39Å; F350-V429 HydrophobicContact CE1-CG2 4.05Å; F351-V429 PolarHBondContact N-O 3.49Å; V368-V429 HydrophobicContact CG2-CG1 4.02Å; V368-V429 HydrophobicContact CG2-CG2 4.22Å; I417-V429 HydrophobicContact CG2-CG1 4.27Å; I417-V429 HydrophobicContact CG2-CG2 4.16Å; A421-V429 HydrophobicContact CB-CG2 3.59Å; V429-Y432 HydrophobicContact CG1-CD2 4.18Å; V429-T450 CarbonylContact C-O 3.54Å; V429-T450 WeakPolarHBondContact CA-O 3.48Å
430V94.4Very high90.9Very high0 Ų031.3 Ų31.30%018%0.179CC..EExtended strand (participates in β ladder)trans-112.6161-177.5-66.80000111.2F351 F356 L361 Y432 T450 T452 L454 T517 I518F351-V430 HydrophobicContact CB-CG1 4.21Å; F351-V430 HydrophobicContact CD2-CG1 4.12Å; F351-V430 CarbonylContact O-C 3.59Å; F351-V430 WeakPolarHBondContact O-CA 3.46Å; F356-V430 HydrophobicContact CE1-CG1 4.11Å; F356-V430 HydrophobicContact CE2-CB 3.95Å; F356-V430 HydrophobicContact CE2-CG1 4.22Å; F356-V430 HydrophobicContact CE2-CG2 4.28Å; F356-V430 HydrophobicContact CZ-CB 3.58Å; F356-V430 HydrophobicContact CZ-CG1 3.56Å; F356-V430 HydrophobicContact CZ-CG2 4.37Å; L361-V430 HydrophobicContact CD2-CG1 4.48Å; L361-V430 HydrophobicContact CD2-CG2 4.41Å; V430-Y432 PolarHBondContact O-N 2.88Å; V430-T450 WeakPolarHBondContact CG2-O 3.3Å; V430-T450 PolarHBondContact N-O 3.12Å; V430-T450 PolarHBondContact O-N 2.97Å; V430-T452 HydrophobicContact CG2-CG2 3.5Å; V430-L454 HydrophobicContact CG1-CD2 4.08Å; V430-T517 PolarHBondContact O-OG1 3.43Å; V430-I518 HydrophobicContact CB-CG2 4.14Å; V430-I518 HydrophobicContact CG2-CG2 3.6Å
431G93.9Very high90.7Very high6 Ų631.5 Ų31.56%0.06218%0.18CC..EExtended strand (participates in β ladder)trans56.139.9-172.800000111.2F351 L353 T517F351-G431 PolarHBondContact O-N 2.98Å; F351-G431 VanDerWaalsContact O-N 3.1Å; L353-G431 VanDerWaalsContact O-CA 3.3Å; L353-G431 WeakPolarHBondContact O-CA 3.36Å; L353-G431 PolarHBondContact O-N 3.05Å; G431-T517 PolarHBondContact O-OG1 3.34Å
432Y95.9Very high90.6Very high7 Ų731.4 Ų31.43%0.02718%0.179CC..EExtended strand (participates in β ladder)trans-75.9132.2-178.3-178.5-101.6000110.7F164 I239 F350 F351 R414 I417 V429 V430 E434 A447 S448F164-Y432 AromaticContact CE2-CD1 3.97Å; F164-Y432 HydrophobicContact CE2-CD1 3.97Å; F164-Y432 HydrophobicContact CE2-CE1 4.11Å; F164-Y432 HydrophobicContact CZ-CD1 4.37Å; F164-Y432 HydrophobicContact CZ-CE1 4.03Å; I239-Y432 HydrophobicContact CD1-CD1 4.19Å; I239-Y432 HydrophobicContact CD1-CE1 4.27Å; F350-Y432 HydrophobicContact CB-CD1 4.31Å; F350-Y432 HydrophobicContact CB-CG 4.23Å; F350-Y432 AromaticContact CD1-CD2 3.7Å; F350-Y432 HydrophobicContact CD1-CD2 3.7Å; F350-Y432 AromaticContact CD1-CE2 3.94Å; F350-Y432 HydrophobicContact CD1-CE2 3.94Å; F350-Y432 HydrophobicContact CD1-CG 4.08Å; F350-Y432 HydrophobicContact CE1-CD2 4.25Å; F350-Y432 HydrophobicContact CE1-CE2 4.14Å; F350-Y432 HydrophobicContact CG-CD2 4.41Å; F350-Y432 HydrophobicContact CG-CG 4.41Å; F351-Y432 WeakPolarHBondContact O-CB 3.16Å; F351-Y432 PolarHBondContact O-N 2.76Å; R414-Y432 VanDerWaalsContact CG-OH 3.25Å; R414-Y432 WeakPolarHBondContact CG-OH 3.38Å; I417-Y432 HydrophobicContact CD1-CE2 3.89Å; V429-Y432 HydrophobicContact CG1-CD2 4.18Å; V430-Y432 PolarHBondContact O-N 2.88Å; Y432-E434 HydrophobicContact CE1-CG 3.57Å; Y432-E434 WeakPolarHBondContact CE1-OE1 3.12Å; Y432-E434 VanDerWaalsContact CZ-OE1 3.3Å; Y432-E434 WeakPolarHBondContact OH-CG 3.4Å; Y432-E434 PolarHBondContact OH-OE1 3.29Å; Y432-A447 HydrophobicContact CE2-CB 4.04Å; Y432-S448 WeakPolarHBondContact CA-O 3.49Å
433S93.6Very high90.8Very high37 Ų3725.6 Ų25.626%0.25915%0.154SC..EExtended strand (participates in β ladder)trans-142.6147.8-179.763.10000111.4A447 S448S433-A447 WeakPolarHBondContact O-CA 3.4Å; S433-S448 PolarHBondContact N-O 3.2Å; S433-S448 PolarHBondContact O-N 3.4Å; S433-S448 PolarHBondContact OG-OG 3.07Å
434E93.3Very high91.1Very high7 Ų722.7 Ų22.73%0.03313%0.13CC..EExtended strand (participates in β ladder)trans-125.8137.1178.3-66.5177.6175.500110.6R237 I239 W410 R414 Y432 S446 A447R237-E434 IonicContact NH1-OE2 3Å; R237-E434 PolarHBondContact NH1-OE2 3.28Å; I239-E434 HydrophobicContact CD1-CB 4.44Å; I239-E434 HydrophobicContact CD1-CG 4.24Å; W410-E434 HydrophobicContact CE3-CB 4.44Å; W410-E434 HydrophobicContact CE3-CG 4.13Å; W410-E434 HydrophobicContact CH2-CB 3.86Å; W410-E434 HydrophobicContact CH2-CG 4.39Å; W410-E434 HydrophobicContact CZ3-CB 3.77Å; W410-E434 HydrophobicContact CZ3-CG 3.8Å; R414-E434 IonicContact CZ-OE1 3.87Å; R414-E434 IonicContact NE-OE1 2.84Å; R414-E434 PolarHBondContact NE-OE1 3.14Å; R414-E434 IonicContact NH2-OE1 2.68Å; R414-E434 PolarHBondContact NH2-OE1 3.28Å; R414-E434 IonicContact NH2-OE2 3.95Å; R414-E434 PolarHBondContact NH2-OE2 3.46Å; Y432-E434 HydrophobicContact CE1-CG 3.57Å; Y432-E434 WeakPolarHBondContact CE1-OE1 3.12Å; Y432-E434 VanDerWaalsContact CZ-OE1 3.3Å; Y432-E434 WeakPolarHBondContact OH-CG 3.4Å; Y432-E434 PolarHBondContact OH-OE1 3.29Å; E434-S446 CarbonylContact C-O 3.17Å; E434-S446 WeakPolarHBondContact CA-O 3.44Å; E434-A447 HydrophobicContact CG-CB 4.15Å
435N91.8Very high91.5Very high51 Ų5121.9 Ų21.927%0.27313%0.126SC..EExtended strand (participates in β ladder)trans-136.6141.6179.8-172.569.3000111.1S446N435-S446 PolarHBondContact N-O 3.03Å; N435-S446 PolarHBondContact O-N 3.44Å
436T92.3Very high91.9Very high20 Ų2020.4 Ų20.412%0.12311%0.109CC..EExtended strand (participates in β ladder)trans-115.1136.2177.9-46.40000108.8D227 R237 I438 C443 I444 L445D227-T436 HydrophobicContact CB-CG2 4.5Å; D227-T436 VanDerWaalsContact CG-OG1 3.28Å; D227-T436 WeakPolarHBondContact OD1-CB 3.5Å; D227-T436 PolarHBondContact OD1-OG1 3.01Å; D227-T436 PolarHBondContact OD2-OG1 3.07Å; R237-T436 PolarHBondContact NE-OG1 3.18Å; R237-T436 PolarHBondContact NH2-OG1 3.15Å; T436-I438 HydrophobicContact CG2-CD1 3.97Å; T436-I438 HydrophobicContact CG2-CG1 3.85Å; T436-C443 WeakPolarHBondContact CG2-SG 3.35Å; T436-I444 WeakPolarHBondContact CA-O 3.23Å; T436-L445 HydrophobicContact CG2-CD2 4.06Å
437S91.8Very high92.1Very high11 Ų1120.3 Ų20.38%0.07711%0.109CC..EExtended strand (participates in β ladder)trans-125.4119167.1179.70000109.1C443 I444 I587 S588 V589S437-C443 WeakPolarHBondContact O-CA 3.36Å; S437-I444 PolarHBondContact N-O 3Å; S437-I444 PolarHBondContact O-N 3.29Å; S437-I587 WeakPolarHBondContact CB-O 3.46Å; S437-S588 WeakPolarHBondContact OG-CA 3.07Å; S437-V589 PolarHBondContact OG-N 3.48Å
438I90.1Very high92.4Very high45 Ų4518 Ų1823%0.23110%0.1CC..EExtended strand (participates in β ladder)trans-111.4136.4-177.8-62.7159.3000109.2D227 E229 L376 T436 C443D227-I438 HydrophobicContact CB-CD1 4.01Å; E229-I438 HydrophobicContact CG-CD1 3.66Å; L376-I438 HydrophobicContact CD1-CG2 3.91Å; T436-I438 HydrophobicContact CG2-CD1 3.97Å; T436-I438 HydrophobicContact CG2-CG1 3.85Å; I438-C443 HydrophobicContact CG1-CB 4.19Å
439C89.1Confident92.6Very high14 Ų1418 Ų1810%0.09510%0.1CC..EExtended strand (participates in β ladder)trans-144.2113.8171.4179.10000108.4E441 V442 V589C439-E441 PolarHBondContact O-N 2.61Å; C439-V442 PolarHBondContact N-O 3.1Å; C439-V442 PolarHBondContact O-N 3.16Å; C439-V442 VanDerWaalsContact O-N 3.08Å; C439-V589 HydrophobicContact CB-CB 3.95Å; C439-V589 HydrophobicContact CB-CG1 3.76Å
440E85.2Confident92.7Very high78 Ų7818 Ų1836%0.36410%0.1SC..THydrogen-bonded Turntrans51.2-122.9-171.8-55.4-178145.900111.2
441E86.5Confident92.7Very high71 Ų7118 Ų1833%0.33210%0.1SC..THydrogen-bonded Turntrans-86.5-1.8-178.2-61.4164.6-175.600113.4L375 L376 C439L375-E441 WeakPolarHBondContact CA-O 3.45Å; L376-E441 PolarHBondContact N-O 3.26Å; C439-E441 PolarHBondContact O-N 2.61Å
442V90.3Very high92.6Very high2 Ų217.8 Ų17.81%0.01210%0.097CC..EExtended strand (participates in β ladder)trans-108.7133-175.5-172.90000111.2V373 L375 C439 N549 A550 I553V373-V442 HydrophobicContact CG1-CG1 3.57Å; L375-V442 HydrophobicContact CD2-CG2 4Å; C439-V442 PolarHBondContact N-O 3.1Å; C439-V442 PolarHBondContact O-N 3.16Å; C439-V442 VanDerWaalsContact O-N 3.08Å; V442-N549 HydrophobicContact CG2-CB 3.99Å; V442-A550 HydrophobicContact CG1-CB 4.14Å; V442-A550 HydrophobicContact CG2-CB 4.31Å; V442-I553 HydrophobicContact CB-CD1 4.43Å; V442-I553 HydrophobicContact CG1-CD1 3.78Å
443C91.6Very high92.3Very high0 Ų019.1 Ų19.10%010%0.104CC..EExtended strand (participates in β ladder)trans-122.5132.2177.6178.30000110.9V373 K374 L376 T436 S437 I438 L445V373-C443 WeakPolarHBondContact CA-O 3.38Å; K374-C443 PolarHBondContact N-O 3.42Å; K374-C443 PolarHBondContact O-N 3.07Å; L376-C443 HydrophobicContact CD2-CB 4.04Å; L376-C443 HydrophobicContact CG-CB 4.35Å; T436-C443 WeakPolarHBondContact CG2-SG 3.35Å; S437-C443 WeakPolarHBondContact O-CA 3.36Å; I438-C443 HydrophobicContact CG1-CB 4.19Å; C443-L445 VanDerWaalsContact SG-CD2 3.54Å
444I94.5Very high92Very high1 Ų117.3 Ų17.31%0.0059%0.092CC..EExtended strand (participates in β ladder)trans-100.9120165.6-54.5-173.5000108.7S372 V373 T436 S437 I553 L557 I587 V589S372-I444 WeakPolarHBondContact O-CA 3.19Å; V373-I444 HydrophobicContact CG2-CG1 4.38Å; T436-I444 WeakPolarHBondContact CA-O 3.23Å; S437-I444 PolarHBondContact N-O 3Å; S437-I444 PolarHBondContact O-N 3.29Å; I444-I553 HydrophobicContact CD1-CG2 3.52Å; I444-I553 HydrophobicContact CG1-CG2 4.11Å; I444-L557 HydrophobicContact CD1-CD1 4.29Å; I444-L557 HydrophobicContact CD1-CD2 4.12Å; I444-L557 HydrophobicContact CG2-CD1 4.47Å; I444-I587 HydrophobicContact CD1-CG2 4.38Å; I444-V589 HydrophobicContact CD1-CG2 3.08Å; I444-V589 HydrophobicContact CG1-CG2 3.55Å
445L94.7Very high91.4Very high0 Ų018.9 Ų18.90%010%0.101CC..EExtended strand (participates in β ladder)trans-93.7129.6168-53.7-179.9000108.2R371 S372 K374 W409 W410 I413 T436 C443R371-L445 CarbonylContact C-O 3.49Å; R371-L445 VanDerWaalsContact CA-O 3.25Å; R371-L445 WeakPolarHBondContact CA-O 3.3Å; S372-L445 PolarHBondContact N-O 3.2Å; S372-L445 PolarHBondContact O-N 3.1Å; K374-L445 HydrophobicContact CG-CD1 4.17Å; W409-L445 HydrophobicContact CB-CD1 3.61Å; W409-L445 HydrophobicContact CE3-CD1 4.11Å; W409-L445 HydrophobicContact CG-CD1 4.41Å; W410-L445 HydrophobicContact CH2-CB 3.96Å; W410-L445 HydrophobicContact CH2-CD2 4.06Å; W410-L445 HydrophobicContact CZ2-CB 4.31Å; W410-L445 HydrophobicContact CZ2-CD2 3.55Å; W410-L445 HydrophobicContact CZ2-CG 4.39Å; W410-L445 HydrophobicContact CZ3-CB 4.17Å; I413-L445 HydrophobicContact CD1-CB 3.28Å; I413-L445 HydrophobicContact CD1-CD1 3.85Å; I413-L445 HydrophobicContact CD1-CG 4.22Å; T436-L445 HydrophobicContact CG2-CD2 4.06Å; C443-L445 VanDerWaalsContact SG-CD2 3.54Å
446S94.8Very high90.4Very high9 Ų918.8 Ų18.86%0.06310%0.103CC..EExtended strand (participates in β ladder)trans-129.2133177.2-650000109.9R371 E434 N435R371-S446 WeakPolarHBondContact CD-OG 3.36Å; R371-S446 PolarHBondContact NE-OG 3.43Å; E434-S446 CarbonylContact C-O 3.17Å; E434-S446 WeakPolarHBondContact CA-O 3.44Å; N435-S446 PolarHBondContact N-O 3.03Å; N435-S446 PolarHBondContact O-N 3.44Å
447A95.1Very high89.3Confident3 Ų326.3 Ų26.33%0.02513%0.129CC..EExtended strand (participates in β ladder)trans-133.1145.4170.500000110.7S369 A370 W410 I413 I417 Y432 S433 E434S369-A447 VanDerWaalsContact CA-O 3.24Å; S369-A447 WeakPolarHBondContact CA-O 3.48Å; A370-A447 PolarHBondContact N-O 3.31Å; A370-A447 PolarHBondContact O-N 2.85Å; W410-A447 HydrophobicContact CZ3-CB 4.42Å; I413-A447 HydrophobicContact CG2-CB 3.56Å; I417-A447 HydrophobicContact CD1-CB 3.36Å; Y432-A447 HydrophobicContact CE2-CB 4.04Å; S433-A447 WeakPolarHBondContact O-CA 3.4Å; E434-A447 HydrophobicContact CG-CB 4.15Å
448S95.4Very high88Confident17 Ų1727.7 Ų27.712%0.11913%0.132CC..EExtended strand (participates in β ladder)trans-147.6152.7-178.956.30000111.7V368 Y432 S433V368-S448 CarbonylContact O-C 3.17Å; V368-S448 WeakPolarHBondContact O-CA 3.31Å; Y432-S448 WeakPolarHBondContact CA-O 3.49Å; S433-S448 PolarHBondContact N-O 3.2Å; S433-S448 PolarHBondContact O-N 3.4Å; S433-S448 PolarHBondContact OG-OG 3.07Å
449G95.9Very high86.7Confident0 Ų026.1 Ų26.10%013%0.125CC..EExtended strand (participates in β ladder)trans-169.4-175.9172.900000111.9V367 V368V367-G449 WeakPolarHBondContact CA-O 3.4Å; V368-G449 WeakPolarHBondContact CG2-O 3.2Å; V368-G449 PolarHBondContact N-O 3.35Å; V368-G449 PolarHBondContact O-N 2.94Å; V368-G449 VanDerWaalsContact O-O 3.12Å
450T95.6Very high85.3Confident0 Ų031.4 Ų31.40%014%0.142CC..EExtended strand (participates in β ladder)trans-111.8121177.3-55.20000110V364 G366 V429 V430 T452 T516 T517V364-T450 HydrophobicContact CG1-CG2 3.56Å; G366-T450 CarbonylContact O-C 3.55Å; G366-T450 WeakPolarHBondContact O-CA 3.39Å; V429-T450 CarbonylContact C-O 3.54Å; V429-T450 WeakPolarHBondContact CA-O 3.48Å; V430-T450 WeakPolarHBondContact CG2-O 3.3Å; V430-T450 PolarHBondContact N-O 3.12Å; V430-T450 PolarHBondContact O-N 2.97Å; T450-T452 HydrophobicContact CG2-CG2 4.01Å; T450-T452 PolarHBondContact O-N 3.49Å; T450-T516 HydrophobicContact CG2-CG2 4.07Å; T450-T517 PolarHBondContact N-OG1 3.35Å; T450-T517 PolarHBondContact OG1-N 3.09Å; T450-T517 PolarHBondContact OG1-OG1 3.23Å
451A94.4Very high83.8Confident0 Ų033.8 Ų33.80%015%0.154CC..EExtended strand (participates in β ladder)trans-71.4127175.100000110.2G365 G366 V368 A421 L424 C426 A428G365-A451 PolarHBondContact N-O 3.13Å; G366-A451 PolarHBondContact O-N 3.22Å; V368-A451 HydrophobicContact CG1-CB 3.94Å; V368-A451 HydrophobicContact CG2-CB 4.42Å; A421-A451 HydrophobicContact CB-CB 3.96Å; L424-A451 HydrophobicContact CB-CB 4.43Å; L424-A451 HydrophobicContact CD1-CB 3.72Å; C426-A451 HydrophobicContact CB-CB 3.83Å; C426-A451 VanDerWaalsContact SG-C 3.58Å; A428-A451 WeakPolarHBondContact O-CA 3.23Å
452T92.1Very high82.3Confident0 Ų031 Ų310%014%0.143CC..EExtended strand (participates in β ladder)trans-142.5159.4-175.457.50000113.4L361 H363 V364 C426 H427 A428 V430 T450 L454L361-T452 HydrophobicContact CD2-CG2 4.16Å; H363-T452 CarbonylContact O-C 3.52Å; H363-T452 VanDerWaalsContact O-CA 3.28Å; H363-T452 WeakPolarHBondContact O-CA 3.14Å; H363-T452 WeakPolarHBondContact O-CB 3.27Å; V364-T452 HydrophobicContact CG1-CG2 4.45Å; V364-T452 HydrophobicContact CG2-CG2 4.11Å; C426-T452 WeakPolarHBondContact CB-O 3.4Å; H427-T452 PolarHBondContact N-O 3.01Å; A428-T452 PolarHBondContact N-O 3.24Å; A428-T452 VanDerWaalsContact N-O 3.12Å; A428-T452 PolarHBondContact O-N 3.12Å; V430-T452 HydrophobicContact CG2-CG2 3.5Å; T450-T452 HydrophobicContact CG2-CG2 4.01Å; T450-T452 PolarHBondContact O-N 3.49Å; T452-L454 WeakPolarHBondContact OG1-CD2 3.23Å
453I89.6Confident80.4Confident35 Ų3532.7 Ų32.718%0.17916%0.155CC..EExtended strand (participates in β ladder)trans-102.5118.8164.1-63.3-173.1000107.3V362 H363 H427 P487V362-I453 HydrophobicContact CB-CG2 4.15Å; V362-I453 WeakPolarHBondContact CB-O 3.4Å; V362-I453 PolarHBondContact N-O 2.93Å; H363-I453 HydrophobicContact CB-CB 4.11Å; H363-I453 HydrophobicContact CB-CD1 4.35Å; H363-I453 HydrophobicContact CB-CG1 4.33Å; H363-I453 PolarHBondContact N-O 3.15Å; H363-I453 PolarHBondContact O-N 3.34Å; H427-I453 VanDerWaalsContact CE1-CG2 3.45Å; H427-I453 WeakPolarHBondContact CE1-CG2 3.32Å; I453-P487 HydrophobicContact CD1-CB 3.35Å; I453-P487 HydrophobicContact CG1-CB 3.98Å
454L87.1Confident78.2Confident0 Ų038.3 Ų38.30%018%0.184CC..EExtended strand (participates in β ladder)trans-92.6154.4178-54.4-176.8000110.9F351 F360 L361 H427 A428 V430 T452 P456 M459F351-L454 HydrophobicContact CD2-CD1 3.93Å; F351-L454 HydrophobicContact CE2-CD1 3.42Å; F351-L454 VanDerWaalsContact CE2-CD1 3.42Å; F351-L454 HydrophobicContact CZ-CD1 4.01Å; F360-L454 HydrophobicContact CD1-CD2 3.99Å; F360-L454 HydrophobicContact CE1-CD1 3.99Å; F360-L454 HydrophobicContact CE1-CD2 3.6Å; F360-L454 HydrophobicContact CE1-CG 4.28Å; F360-L454 HydrophobicContact CZ-CD1 4.07Å; F360-L454 HydrophobicContact CZ-CD2 4.42Å; L361-L454 HydrophobicContact CD2-CD2 3.59Å; H427-L454 PolarHBondContact CE1-N 2.68Å; H427-L454 PolarHBondContact CE1-O 3.31Å; H427-L454 PolarHBondContact NE2-N 3.29Å; H427-L454 VanDerWaalsContact NE2-N 3.12Å; A428-L454 HydrophobicContact CB-CD1 3.5Å; A428-L454 VanDerWaalsContact CB-CD1 3.5Å; A428-L454 HydrophobicContact CB-CG 3.64Å; V430-L454 HydrophobicContact CG1-CD2 4.08Å; T452-L454 WeakPolarHBondContact OG1-CD2 3.23Å; L454-P456 WeakPolarHBondContact O-CD 3.46Å; L454-M459 HydrophobicContact CD1-CE 3.58Å
455N82.3Confident75.7Confident40 Ų4044.4 Ų44.421%0.21422%0.217CC..PPolyproline II helixtrans-73.3116.9177.2-172.3-22.8000110.2G359 F360 V362 R457 Y458G359-N455 WeakPolarHBondContact O-CB 3.42Å; G359-N455 PolarHBondContact O-ND2 3.19Å; F360-N455 PolarHBondContact O-N 3.49Å; V362-N455 HydrophobicContact CG2-CB 3.82Å; N455-R457 PolarHBondContact O-N 3Å; N455-R457 PolarHBondContact OD1-N 3.21Å; N455-Y458 HydrophobicContact CB-CD2 4.09Å; N455-Y458 PolarHBondContact O-N 2.61Å
456P69.8Low73.3Confident49 Ų4952.1 Ų52.132%0.31826%0.257SS..Hα-helixtrans-67.5-20.7-173.427.2-35.4000113.7T339 L454 M459 R460T339-P456 HydrophobicContact CG2-CB 3.53Å; T339-P456 HydrophobicContact CG2-CG 4.19Å; L454-P456 WeakPolarHBondContact O-CD 3.46Å; P456-M459 PolarHBondContact O-N 3.49Å; P456-R460 PolarHBondContact O-N 3.21Å
457R68.3Low70.5Confident178 Ų17855 Ų5567%0.67229%0.288SS*.Hα-helixtrans-64.8-43.2176.6-69.3-174.4175.7163.90.1111.5N455 M459 R460 E461N455-R457 PolarHBondContact O-N 3Å; N455-R457 PolarHBondContact OD1-N 3.21Å; R457-M459 PolarHBondContact O-N 2.82Å; R457-R460 PolarHBondContact O-N 3.02Å; R457-E461 PolarHBondContact O-N 3.07Å
458Y66.1Low67.5Low39 Ų3960.4 Ų60.415%0.15333%0.326CS..Hα-helixtrans-63.8-29.4176.4-85.9-82.5000113F360 N455 C463F360-Y458 HydrophobicContact CD2-CD1 4.3Å; F360-Y458 HydrophobicContact CD2-CD2 4.44Å; F360-Y458 AromaticContact CD2-CG 3.98Å; F360-Y458 HydrophobicContact CD2-CG 3.98Å; N455-Y458 HydrophobicContact CB-CD2 4.09Å; N455-Y458 PolarHBondContact O-N 2.61Å; Y458-C463 HydrophobicContact CD1-CB 4.18Å; Y458-C463 HydrophobicContact CE1-CB 3.74Å
459M63.1Low64.8Low13 Ų1365 Ų656%0.06435%0.353CS..Hα-helixtrans-81.8-25.6-179.8-71.4-66.7162.300114V161 F351 F360 L454 P456 R457V161-M459 HydrophobicContact CB-CE 4.39Å; V161-M459 HydrophobicContact CB-SD 4.38Å; F351-M459 HydrophobicContact CE1-CE 3.97Å; F351-M459 HydrophobicContact CE2-CE 4.36Å; F351-M459 HydrophobicContact CZ-CE 3.65Å; F351-M459 HydrophobicContact CZ-SD 4.29Å; F360-M459 HydrophobicContact CE1-CE 4.46Å; F360-M459 HydrophobicContact CE2-CE 3.73Å; F360-M459 HydrophobicContact CZ-CE 3.38Å; L454-M459 HydrophobicContact CD1-CE 3.58Å; P456-M459 PolarHBondContact O-N 3.49Å; R457-M459 PolarHBondContact O-N 2.82Å
460R58.8Low61.6Low125 Ų12571.9 Ų71.947%0.47239%0.39SS..Hα-helixtrans-108.8-33.2-171.2-155.7-177.6-65.6174.12.3113.9T339 P456 R457T339-R460 PolarHBondContact OG1-NH2 3.27Å; P456-R460 PolarHBondContact O-N 3.21Å; R457-R460 PolarHBondContact O-N 3.02Å
461E54.4Low58.7Low128 Ų12879.7 Ų79.760%0.59843%0.426SS*.THydrogen-bonded Turntrans-123.31-172.1-69.8171.7-17700113.3R457 L464R457-E461 PolarHBondContact O-N 3.07Å; E461-L464 HydrophobicContact CB-CD1 4.3Å
462G54.3Low56Low11 Ų1189.6 Ų89.611%0.11346%0.463CS..  trans73.2177.3-175.600000113.1A159 L464A159-G462 WeakPolarHBondContact O-CA 3.28Å; G462-L464 PolarHBondContact O-N 2.86Å
463C50.2Low53.7Low38 Ų3897.6 Ų97.626%0.25750%0.498SS..  trans-66.9100.7169.4-179.70000107.1R157 Y458R157-C463 HydrophobicContact CG-CB 4.41Å; R157-C463 PolarHBondContact NE-O 2.9Å; R157-C463 VanDerWaalsContact NE-O 3.07Å; R157-C463 PolarHBondContact NH2-O 2.91Å; R157-C463 PolarHBondContact NH2-SG 3.33Å; Y458-C463 HydrophobicContact CD1-CB 4.18Å; Y458-C463 HydrophobicContact CE1-CB 3.74Å
464L45.1Very low51.3Low118 Ų118103.4 Ų103.462%0.61853%0.53SS*.  trans-86.2142.1163.4-71170.3000108E461 G462 I466E461-L464 HydrophobicContact CB-CD1 4.3Å; G462-L464 PolarHBondContact O-N 2.86Å; L464-I466 PolarHBondContact O-N 2.9Å
465D41.9Very low48.9Very low129 Ų129109.1 Ų109.169%0.6956%0.56SS**  trans-54.2126176.8-66.7-27.2000109.4R157 G467R157-D465 IonicContact CZ-OD1 3.69Å; R157-D465 IonicContact NH1-OD1 2.82Å; R157-D465 IonicContact NH2-OD1 3.51Å; R157-D465 PolarHBondContact NH2-OD1 3.41Å; D465-G467 PolarHBondContact O-N 2.94Å
466I44.8Very low47.1Very low163 Ų163112.1 Ų112.184%0.83658%0.582SS**THydrogen-bonded Turntrans-66.679.3175.5-59.8167.1000107.1L464L464-I466 PolarHBondContact O-N 2.9Å
467G35.7Very low45.8Very low70 Ų70111.9 Ų111.972%0.72258%0.581SS**THydrogen-bonded Turntrans-144.8-5-176.100000114.3D465D465-G467 PolarHBondContact O-N 2.94Å
468S33Very low45.1Very low116 Ų116105.7 Ų105.781%0.81156%0.564SS**  trans-115.695.2174.9-159.20000110.3D470S468-D470 PolarHBondContact O-N 3.2Å; S468-D470 VanDerWaalsContact O-N 3.13Å
469T37.7Very low44.7Very low113 Ų113108.9 Ų108.969%0.69359%0.59SS**  trans-68.498.3171.745.50000109.9H471T469-H471 PolarHBondContact O-N 3.03Å
470D29.7Very low45Very low144 Ų144109.7 Ų109.777%0.7760%0.596SS**  trans-90.591.9163.6-150.30.8000109S468 R472S468-D470 PolarHBondContact O-N 3.2Å; S468-D470 VanDerWaalsContact O-N 3.13Å; D470-R472 PolarHBondContact O-N 3.48Å
471H35.2Very low46.2Very low165 Ų165103.8 Ų103.876%0.76457%0.574SS**THydrogen-bonded Turntrans-70.558.6-175.7-83.1-67.8000113.6T469T469-H471 PolarHBondContact O-N 3.03Å
472R37.2Very low47.6Very low208 Ų20898.5 Ų98.579%0.78555%0.554SS**THydrogen-bonded Turntrans-131.8-1.6177.2-71.7-165.2-177.2-176.84.3118.9D470D470-R472 PolarHBondContact O-N 3.48Å
473F44.1Very low49.2Very low167 Ų16798 Ų9873%0.73255%0.549SS*.SBendtrans-158101.6162.5-78.2-77000109.8
474D38.9Very low50.9Low158 Ų15896.4 Ų96.485%0.84554%0.538SS*.  trans-171.6131.3151.5-98.3-33.6000110.4
475D36.6Very low53Low120 Ų12090.8 Ų90.864%0.64251%0.509SS*.  trans-102108.7161.5-163.6-1.7000104.1S477 R507D475-S477 PolarHBondContact O-N 3.41Å; D475-R507 IonicContact OD1-CZ 3.99Å; D475-R507 IonicContact OD1-NH1 3.27Å; D475-R507 PolarHBondContact OD1-NH1 2.96Å; D475-R507 IonicContact OD1-NH2 3.78Å; D475-R507 IonicContact OD2-CZ 2.62Å; D475-R507 IonicContact OD2-NH1 2.74Å; D475-R507 PolarHBondContact OD2-NH1 3.31Å
476P44.8Very low55.1Low103 Ų10385.7 Ų85.767%0.66948%0.481SS*.  trans-76.8104.3-160.929.6-32.1000109.2
477S42.2Very low56.8Low43 Ų4379.4 Ų79.430%0.30145%0.451SS..  trans-58.3143.1152.751.50000107.9D475D475-S477 PolarHBondContact O-N 3.41Å
478P53.5Low58.7Low48 Ų4877.6 Ų77.631%0.31242%0.422SS..  trans-51.6136.9172.4-21.230.7000109.2S480 C481 N504P478-S480 PolarHBondContact O-N 3.01Å; P478-C481 PolarHBondContact O-N 3.03Å; P478-N504 WeakPolarHBondContact CB-ND2 3.46Å; P478-N504 WeakPolarHBondContact CG-ND2 3.3Å
479P58.2Low60.4Low107 Ų10776.6 Ų76.670%0.69541%0.408SS*.THydrogen-bonded Turntrans-59.6-9.1-175.522.4-32.9000113.8
480S69.7Low61.8Low29 Ų2975.2 Ų75.220%0.20339%0.394CS..THydrogen-bonded Turntrans-94.5-6.6-174.658.10000116.6P478 E523P478-S480 PolarHBondContact O-N 3.01Å; S480-E523 WeakPolarHBondContact CA-O 3.29Å; S480-E523 WeakPolarHBondContact CB-O 3.39Å
481C83.3Confident63.4Low1 Ų175.7 Ų75.71%0.00740%0.395CS..THydrogen-bonded Turntrans-122.9-7.1-178.169.90000115.3P478 F483 C484 H485 N504 A607P478-C481 PolarHBondContact O-N 3.03Å; C481-F483 PolarHBondContact O-N 2.84Å; C481-C484 WeakPolarHBondContact O-CB 3.39Å; C481-C484 PolarHBondContact O-N 3.42Å; C481-C484 VanDerWaalsContact O-N 3.1Å; C481-H485 PolarHBondContact O-CD2 2.83Å; C481-H485 VanDerWaalsContact O-CD2 3.25Å; C481-H485 PolarHBondContact O-NE2 2.84Å; C481-H485 PolarHBondContact SG-NE2 3.48Å; C481-H485 VanDerWaalsContact SG-NE2 3.42Å; C481-N504 HydrophobicContact CB-CB 4.03Å; C481-N504 PolarHBondContact SG-ND2 2.99Å; C481-A607 HydrophobicContact CB-CB 3.76Å
482G82.9Confident65Low17 Ų1773.7 Ų73.718%0.17539%0.391CS..G310 helixtrans-54.5-49.4-176.800000113.1V362 H363 C484 H485V362-G482 CarbonylContact O-C 3.57Å; V362-G482 VanDerWaalsContact O-O 3.06Å; H363-G482 PolarHBondContact ND1-O 2.88Å; G482-C484 PolarHBondContact O-N 2.91Å; G482-C484 VanDerWaalsContact O-N 3.15Å; G482-H485 WeakPolarHBondContact O-CB 3.16Å; G482-H485 PolarHBondContact O-N 2.86Å
483F87.5Confident66.4Low2 Ų267 Ų671%0.00937%0.369CS..G310 helixtrans-62.6-23.5-17981.9-88000113.9V362 V364 C481 L514 P521 A524 F581 L605V362-F483 WeakPolarHBondContact O-CA 3.5Å; V362-F483 PolarHBondContact O-N 2.84Å; V364-F483 WeakPolarHBondContact CB-O 3.35Å; V364-F483 HydrophobicContact CG2-CB 4.25Å; V364-F483 HydrophobicContact CG2-CD2 3.98Å; V364-F483 WeakPolarHBondContact CG2-O 3.42Å; V364-F483 PolarHBondContact N-O 3.4Å; C481-F483 PolarHBondContact O-N 2.84Å; F483-L514 HydrophobicContact CE2-CD2 4.29Å; F483-P521 HydrophobicContact CD2-CG 4.38Å; F483-P521 HydrophobicContact CE2-CG 4.37Å; F483-A524 HydrophobicContact CE1-CB 3.65Å; F483-A524 HydrophobicContact CZ-CB 3.56Å; F483-F581 HydrophobicContact CE2-CZ 4.11Å; F483-L605 HydrophobicContact CE2-CD1 4.38Å; F483-L605 HydrophobicContact CZ-CD1 4.26Å; F483-L605 HydrophobicContact CZ-CD2 4.39Å
484C86.9Confident67.6Low3 Ų361.6 Ų61.62%0.0235%0.351CS..G310 helixtrans-80.3-16.3177.4-58.60000113.2C481 G482 V510 P511 A607 L608C481-C484 WeakPolarHBondContact O-CB 3.39Å; C481-C484 PolarHBondContact O-N 3.42Å; C481-C484 VanDerWaalsContact O-N 3.1Å; G482-C484 PolarHBondContact O-N 2.91Å; G482-C484 VanDerWaalsContact O-N 3.15Å; C484-V510 HydrophobicContact CB-CG1 4.27Å; C484-P511 WeakPolarHBondContact O-CD 3.48Å; C484-A607 HydrophobicContact CB-CB 4.02Å; C484-L608 HydrophobicContact CB-CD2 4.16Å
485H88.5Confident69.2Low1 Ų159 Ų591%0.00533%0.332CS..SBendtrans-75139.5-177.9-56.8159.7000110.6H363 C481 G482 C505 Q508 K509H363-H485 PolarHBondContact ND1-O 3.48Å; C481-H485 PolarHBondContact O-CD2 2.83Å; C481-H485 VanDerWaalsContact O-CD2 3.25Å; C481-H485 PolarHBondContact O-NE2 2.84Å; C481-H485 PolarHBondContact SG-NE2 3.48Å; C481-H485 VanDerWaalsContact SG-NE2 3.42Å; G482-H485 WeakPolarHBondContact O-CB 3.16Å; G482-H485 PolarHBondContact O-N 2.86Å; H485-C505 VanDerWaalsContact CE1-SG 3.57Å; H485-C505 PolarHBondContact NE2-SG 3.5Å; H485-Q508 HydrophobicContact CB-CB 4.1Å; H485-Q508 VanDerWaalsContact CB-OE1 3.25Å; H485-Q508 VanDerWaalsContact CG-OE1 3.22Å; H485-Q508 PolarHBondContact ND1-OE1 3.3Å; H485-K509 WeakPolarHBondContact CA-O 3.24Å
486I86.1Confident70.7Confident22 Ų2259.7 Ų59.711%0.11334%0.343CS..  trans-66.6142-179.162.1178.8000111.6Y488 L499 K509I486-Y488 HydrophobicContact CB-CE2 4.42Å; I486-Y488 HydrophobicContact CD1-CD2 4.33Å; I486-Y488 HydrophobicContact CD1-CE2 4.23Å; I486-Y488 WeakPolarHBondContact CD1-O 3.33Å; I486-Y488 WeakPolarHBondContact CG1-O 3.47Å; I486-L499 HydrophobicContact CD1-CD1 3.39Å; I486-L499 HydrophobicContact CD1-CD2 3.95Å; I486-L499 HydrophobicContact CD1-CG 4.22Å; I486-L499 HydrophobicContact CG2-CD2 3.9Å; I486-K509 HydrophobicContact CD1-CB 3.81Å; I486-K509 HydrophobicContact CG1-CB 4.18Å; I486-K509 PolarHBondContact N-O 3.47Å
487P80.1Confident71.8Confident30 Ų3056.4 Ų56.420%0.19532%0.324CS..SBendtrans-81.4-10.8-179.529.1-33.1000114.5H363 L424 I453H363-P487 HydrophobicContact CB-CB 3.99Å; L424-P487 VanDerWaalsContact O-CG 3.26Å; L424-P487 WeakPolarHBondContact O-CG 3.4Å; I453-P487 HydrophobicContact CD1-CB 3.35Å; I453-P487 HydrophobicContact CG1-CB 3.98Å
488Y76.1Confident73.2Confident32 Ų3260.4 Ų60.413%0.12534%0.339CS..SBendtrans-117.2157.3-17647.7-97.4000112.6L424 I486 M493 P494L424-Y488 HydrophobicContact CD2-CE1 4.36Å; L424-Y488 WeakPolarHBondContact O-CD1 3.36Å; I486-Y488 HydrophobicContact CB-CE2 4.42Å; I486-Y488 HydrophobicContact CD1-CD2 4.33Å; I486-Y488 HydrophobicContact CD1-CE2 4.23Å; I486-Y488 WeakPolarHBondContact CD1-O 3.33Å; I486-Y488 WeakPolarHBondContact CG1-O 3.47Å; Y488-M493 HydrophobicContact CD2-CG 4.23Å; Y488-M493 HydrophobicContact CE2-CG 4.15Å; Y488-P494 HydrophobicContact CE1-CG 4.34Å
489D68.9Low74.5Confident95 Ų9559.3 Ų59.351%0.50833%0.33SS..  trans-85.6153.5177.1-161.9-0.7000110.7L491 N492 M493D489-L491 PolarHBondContact O-N 2.89Å; D489-L491 VanDerWaalsContact O-N 3.15Å; D489-N492 CarbonylContact O-C 3.54Å; D489-N492 PolarHBondContact O-N 3.43Å; D489-M493 PolarHBondContact O-N 3.35Å
490E66.5Low75.8Confident85 Ų8556.3 Ų56.340%0.39731%0.309SS..G310 helixtrans-57.6-31.7-178.6-80.6171.6-113.300113.2N492 M493 L499 K509E490-N492 PolarHBondContact O-N 2.81Å; E490-M493 VanDerWaalsContact O-CE 3.31Å; E490-M493 WeakPolarHBondContact O-CE 3.25Å; E490-M493 WeakPolarHBondContact O-CG 3.26Å; E490-L499 HydrophobicContact CG-CD1 4.13Å; E490-K509 HydrophobicContact CG-CD 4.1Å; E490-K509 WeakPolarHBondContact OE1-CD 3.49Å; E490-K509 WeakPolarHBondContact OE1-CE 3.42Å; E490-K509 IonicContact OE1-NZ 2.86Å; E490-K509 PolarHBondContact OE1-NZ 3Å; E490-K509 IonicContact OE2-NZ 3.95Å; E490-K509 PolarHBondContact OE2-NZ 2.96Å
491L64.8Low76.7Confident153 Ų15361.3 Ų61.380%0.80133%0.325SS*.G310 helixtrans-72.5-19.9179.4-66.7164.4000112.7D489D489-L491 PolarHBondContact O-N 2.89Å; D489-L491 VanDerWaalsContact O-N 3.15Å
492N67.7Low76.9Confident124 Ų12461.3 Ų61.366%0.66333%0.325SS*.G310 helixtrans-117.631.1-177.8-65.5-40.8000111.4D489 E490 P494D489-N492 CarbonylContact O-C 3.54Å; D489-N492 PolarHBondContact O-N 3.43Å; E490-N492 PolarHBondContact O-N 2.81Å; N492-P494 WeakPolarHBondContact O-CD 3.22Å
493M68.2Low77.1Confident68 Ų6865.8 Ų65.834%0.33534%0.337SS..  trans-63.3127.2178.6-77.3-171.4-71.100110.8Y488 D489 E490 F495 L499Y488-M493 HydrophobicContact CD2-CG 4.23Å; Y488-M493 HydrophobicContact CE2-CG 4.15Å; D489-M493 PolarHBondContact O-N 3.35Å; E490-M493 VanDerWaalsContact O-CE 3.31Å; E490-M493 WeakPolarHBondContact O-CE 3.25Å; E490-M493 WeakPolarHBondContact O-CG 3.26Å; M493-F495 PolarHBondContact O-N 3.21Å; M493-L499 HydrophobicContact CG-CD1 4.4Å; M493-L499 HydrophobicContact SD-CD1 3.66Å; M493-L499 HydrophobicContact SD-CG 4.39Å
494P68.4Low77Confident53 Ų5368.8 Ų68.834%0.34435%0.353SS..SBendtrans-68.2-19.817823.5-30.1000113.1A423 L424 Y488 N492A423-P494 WeakPolarHBondContact O-CB 3.4Å; A423-P494 WeakPolarHBondContact O-CG 3.28Å; L424-P494 HydrophobicContact CD2-CG 4.16Å; Y488-P494 HydrophobicContact CE1-CG 4.34Å; N492-P494 WeakPolarHBondContact O-CD 3.22Å
495F72.9Confident76.8Confident102 Ų10269.4 Ų69.445%0.44736%0.358SS..SBendtrans-154.9157.3177.646.9-95000110.2L424 M493 A497L424-F495 HydrophobicContact CD2-CE1 3.56Å; L424-F495 HydrophobicContact CD2-CZ 4.05Å; M493-F495 PolarHBondContact O-N 3.21Å; F495-A497 HydrophobicContact CD2-CB 3.92Å; F495-A497 HydrophobicContact CE2-CB 3.8Å; F495-A497 PolarHBondContact O-N 3.26Å
496P66.8Low76.6Confident135 Ų13577.1 Ų77.188%0.87739%0.387SS*.  trans-64.5107.117525.7-33.2000110.4
497A69.5Low76.5Confident34 Ų3483 Ų8328%0.28141%0.408SS..  trans-124.9145.5176.900000110.9F495F495-A497 HydrophobicContact CD2-CB 3.92Å; F495-A497 HydrophobicContact CE2-CB 3.8Å; F495-A497 PolarHBondContact O-N 3.26Å
498Q69.9Low76.7Confident128 Ų12885.7 Ų85.760%0.59842%0.417SS*.  trans-81.5126.3167-69.4-177.5-6.600108.3D512Q498-D512 WeakPolarHBondContact CB-OD2 3.3Å
499L82.2Confident77.2Confident25 Ų2585.9 Ų85.913%0.13142%0.419CS..EExtended strand (participates in β ladder)trans-124128.4-177.8-63.8172.1000108.9I486 E490 M493 K509I486-L499 HydrophobicContact CD1-CD1 3.39Å; I486-L499 HydrophobicContact CD1-CD2 3.95Å; I486-L499 HydrophobicContact CD1-CG 4.22Å; I486-L499 HydrophobicContact CG2-CD2 3.9Å; E490-L499 HydrophobicContact CG-CD1 4.13Å; M493-L499 HydrophobicContact CG-CD1 4.4Å; M493-L499 HydrophobicContact SD-CD1 3.66Å; M493-L499 HydrophobicContact SD-CG 4.39Å; L499-K509 HydrophobicContact CB-CB 4.36Å; L499-K509 HydrophobicContact CB-CD 3.93Å; L499-K509 HydrophobicContact CD1-CD 4.47Å
500T86Confident78.2Confident43 Ų4381.3 Ų81.326%0.26440%0.395SS..EExtended strand (participates in β ladder)trans-109.9158.4179.349.70000110.3K509 V510 P609T500-K509 CarbonylContact O-C 3.51Å; T500-K509 VanDerWaalsContact O-CA 3.26Å; T500-K509 WeakPolarHBondContact O-CA 3.36Å; T500-V510 PolarHBondContact N-O 3.04Å; T500-V510 VanDerWaalsContact N-O 3.1Å; T500-V510 WeakPolarHBondContact O-CG2 3.27Å; T500-V510 PolarHBondContact O-N 3.43Å; T500-P609 HydrophobicContact CG2-CG 4.46Å; T500-P609 WeakPolarHBondContact OG1-CD 3.37Å; T500-P609 WeakPolarHBondContact OG1-CG 3.38Å
501Y88.3Confident79.2Confident135 Ų13578.4 Ų78.453%0.52938%0.383SS..EExtended strand (participates in β ladder)trans-72.1140.1172-76.5-79.9000109.7Y503 K509Y501-Y503 WeakPolarHBondContact O-CD1 3.49Å; Y501-Y503 PolarHBondContact O-N 3.18Å; Y501-K509 HydrophobicContact CD1-CG 4.35Å; Y501-K509 HydrophobicContact CE1-CG 4.33Å
502C87.8Confident80.3Confident0 Ų073.6 Ų73.60%036%0.358CS..  trans-52.7127.7178.1179.50000111.2N504 C505 R506 Q508 V510C502-N504 PolarHBondContact O-N 2.71Å; C502-N504 PolarHBondContact SG-N 2.97Å; C502-N504 VanDerWaalsContact SG-N 3.43Å; C502-C505 VanDerWaalsContact CB-SG 3.52Å; C502-C505 PolarHBondContact SG-N 3.42Å; C502-C505 VanDerWaalsContact SG-N 3.45Å; C502-R506 WeakPolarHBondContact O-CA 3.49Å; C502-R506 PolarHBondContact O-N 3.15Å; C502-Q508 WeakPolarHBondContact CB-O 3.42Å; C502-Q508 PolarHBondContact N-O 3.21Å; C502-V510 HydrophobicContact CB-CG1 3.76Å
503Y86.1Confident81.3Confident111 Ų11169.2 Ų69.244%0.43534%0.336SS..THydrogen-bonded Turntrans-70.7-21.2-179.3-85.826.2000112.8Y501 M606 A607 P609Y501-Y503 WeakPolarHBondContact O-CD1 3.49Å; Y501-Y503 PolarHBondContact O-N 3.18Å; Y503-M606 WeakPolarHBondContact CB-O 2.82Å; Y503-A607 PolarHBondContact N-O 2.87Å; Y503-P609 HydrophobicContact CE1-CB 4.33Å
504N84.5Confident82.4Confident65 Ų6566.2 Ų66.235%0.34832%0.321SS..THydrogen-bonded Turntrans-85.3-54.4178.2-169.357.7000112.6P478 C481 C502 A607P478-N504 WeakPolarHBondContact CB-ND2 3.46Å; P478-N504 WeakPolarHBondContact CG-ND2 3.3Å; C481-N504 HydrophobicContact CB-CB 4.03Å; C481-N504 PolarHBondContact SG-ND2 2.99Å; C502-N504 PolarHBondContact O-N 2.71Å; C502-N504 PolarHBondContact SG-N 2.97Å; C502-N504 VanDerWaalsContact SG-N 3.43Å; N504-A607 HydrophobicContact CB-CB 4.48Å
505C84.4Confident83.7Confident17 Ų1764.8 Ų64.812%0.11531%0.309CS..THydrogen-bonded Turntrans-97.2-19.9-175.378.40000114.8H485 C502 R507H485-C505 VanDerWaalsContact CE1-SG 3.57Å; H485-C505 PolarHBondContact NE2-SG 3.5Å; C502-C505 VanDerWaalsContact CB-SG 3.52Å; C502-C505 PolarHBondContact SG-N 3.42Å; C502-C505 VanDerWaalsContact SG-N 3.45Å; C505-R507 WeakPolarHBondContact O-CG 3.33Å; C505-R507 PolarHBondContact O-N 2.76Å; C505-R507 PolarHBondContact SG-N 2.95Å; C505-R507 VanDerWaalsContact SG-N 3.43Å
506R84.3Confident84.7Confident162 Ų16260 Ų6061%0.61129%0.288SS*.SBendtrans5414.5-174.8-56.6-173.8-179.7-1770.1115.9C502C502-R506 WeakPolarHBondContact O-CA 3.49Å; C502-R506 PolarHBondContact O-N 3.15Å
507R83.1Confident86.1Confident147 Ų14754.2 Ų54.256%0.55525%0.251SS*.SBendtrans-106.4-49.3-175.9-70.5174.1-174.2-161.41.3113D475 C505D475-R507 IonicContact OD1-CZ 3.99Å; D475-R507 IonicContact OD1-NH1 3.27Å; D475-R507 PolarHBondContact OD1-NH1 2.96Å; D475-R507 IonicContact OD1-NH2 3.78Å; D475-R507 IonicContact OD2-CZ 2.62Å; D475-R507 IonicContact OD2-NH1 2.74Å; D475-R507 PolarHBondContact OD2-NH1 3.31Å; C505-R507 WeakPolarHBondContact O-CG 3.33Å; C505-R507 PolarHBondContact O-N 2.76Å; C505-R507 PolarHBondContact SG-N 2.95Å; C505-R507 VanDerWaalsContact SG-N 3.43Å
508Q84.4Confident87.3Confident85 Ų8552.6 Ų52.640%0.39724%0.237SC..SBendtrans-104.4160.7-177.1-64.9-173.48.100111.2H485 C502H485-Q508 HydrophobicContact CB-CB 4.1Å; H485-Q508 VanDerWaalsContact CB-OE1 3.25Å; H485-Q508 VanDerWaalsContact CG-OE1 3.22Å; H485-Q508 PolarHBondContact ND1-OE1 3.3Å; C502-Q508 WeakPolarHBondContact CB-O 3.42Å; C502-Q508 PolarHBondContact N-O 3.21Å
509K87.4Confident88.4Confident36 Ų3647.5 Ų47.516%0.15721%0.214CC..EExtended strand (participates in β ladder)trans-87.8148179.3-69.3-163.1167.8-1650112H485 I486 E490 L499 T500 Y501H485-K509 WeakPolarHBondContact CA-O 3.24Å; I486-K509 HydrophobicContact CD1-CB 3.81Å; I486-K509 HydrophobicContact CG1-CB 4.18Å; I486-K509 PolarHBondContact N-O 3.47Å; E490-K509 HydrophobicContact CG-CD 4.1Å; E490-K509 WeakPolarHBondContact OE1-CD 3.49Å; E490-K509 WeakPolarHBondContact OE1-CE 3.42Å; E490-K509 IonicContact OE1-NZ 2.86Å; E490-K509 PolarHBondContact OE1-NZ 3Å; E490-K509 IonicContact OE2-NZ 3.95Å; E490-K509 PolarHBondContact OE2-NZ 2.96Å; L499-K509 HydrophobicContact CB-CB 4.36Å; L499-K509 HydrophobicContact CB-CD 3.93Å; L499-K509 HydrophobicContact CD1-CD 4.47Å; T500-K509 CarbonylContact O-C 3.51Å; T500-K509 VanDerWaalsContact O-CA 3.26Å; T500-K509 WeakPolarHBondContact O-CA 3.36Å; Y501-K509 HydrophobicContact CD1-CG 4.35Å; Y501-K509 HydrophobicContact CE1-CG 4.33Å
510V89.1Confident88.8Confident0 Ų048 Ų480%022%0.216CC..EExtended strand (participates in β ladder)trans-129153.6178.9-64.60000109.6C484 T500 C502 L608C484-V510 HydrophobicContact CB-CG1 4.27Å; T500-V510 PolarHBondContact N-O 3.04Å; T500-V510 VanDerWaalsContact N-O 3.1Å; T500-V510 WeakPolarHBondContact O-CG2 3.27Å; T500-V510 PolarHBondContact O-N 3.43Å; C502-V510 HydrophobicContact CB-CG1 3.76Å; V510-L608 HydrophobicContact CB-CD2 3.72Å; V510-L608 HydrophobicContact CG1-CD2 4.28Å; V510-L608 HydrophobicContact CG2-CD2 4.13Å
511P88.6Confident88.9Confident24 Ų2446.7 Ų46.716%0.15621%0.209CC..EExtended strand (participates in β ladder)trans-70.7163.1169.832.1-35.4000111.1C484 L514 L608C484-P511 WeakPolarHBondContact O-CD 3.48Å; P511-L514 HydrophobicContact CG-CD1 4.41Å; P511-L608 HydrophobicContact CG-CD2 4.3Å; P511-L608 WeakPolarHBondContact O-CD2 3.46Å
512D86.5Confident88.6Confident52 Ų5244.8 Ų44.828%0.27822%0.221SC..SBendtrans-71.8-36.2175.2-65.9-24.8000112.6Q498 P609Q498-D512 WeakPolarHBondContact CB-OD2 3.3Å; D512-P609 HydrophobicContact CB-CG 4.31Å
513V89.6Confident88.2Confident31 Ų3146.8 Ų46.819%0.18823%0.231CC..SBendtrans-138.6140.6178.8175.50000109.2F515 M569 L572 N578V513-F515 HydrophobicContact CG1-CD1 3.79Å; V513-F515 HydrophobicContact CG1-CE1 3.44Å; V513-F515 VanDerWaalsContact CG1-CE1 3.44Å; V513-F515 HydrophobicContact CG1-CZ 4.48Å; V513-M569 HydrophobicContact CB-CE 4.05Å; V513-M569 HydrophobicContact CB-SD 4.3Å; V513-M569 HydrophobicContact CG1-CE 3.84Å; V513-M569 HydrophobicContact CG1-SD 4.11Å; V513-M569 HydrophobicContact CG2-CE 4.31Å; V513-M569 HydrophobicContact CG2-SD 3.93Å; V513-L572 HydrophobicContact CG1-CD2 3.47Å; V513-L572 VanDerWaalsContact CG1-CD2 3.47Å; V513-N578 VanDerWaalsContact CA-O 3.3Å; V513-N578 WeakPolarHBondContact CA-O 3.48Å
514L91.4Very high88.2Confident6 Ų642.1 Ų42.13%0.03122%0.215CC..EExtended strand (participates in β ladder)trans-118.2121.8179.8-176.867000111.4V364 F483 P511 T516 N578 A579 L580 L605 L608V364-L514 HydrophobicContact CB-CD1 4.5Å; V364-L514 HydrophobicContact CG1-CD1 3.96Å; F483-L514 HydrophobicContact CE2-CD2 4.29Å; P511-L514 HydrophobicContact CG-CD1 4.41Å; L514-T516 HydrophobicContact CD1-CG2 4.31Å; L514-T516 HydrophobicContact CD2-CG2 4.1Å; L514-T516 HydrophobicContact CG-CG2 3.92Å; L514-N578 PolarHBondContact N-O 2.81Å; L514-N578 VanDerWaalsContact N-O 3.15Å; L514-A579 HydrophobicContact CB-CB 4.16Å; L514-A579 CarbonylContact O-C 3.43Å; L514-A579 WeakPolarHBondContact O-CA 3.42Å; L514-L580 PolarHBondContact O-N 3.22Å; L514-L605 HydrophobicContact CD2-CD1 4.29Å; L514-L608 HydrophobicContact CB-CD1 3.8Å
515F94.5Very high88.3Confident23 Ų2340.7 Ų40.710%0.10121%0.212CC..EExtended strand (participates in β ladder)trans-104.3139.8169.8-70.57.6000109.2V367 V513 H565 L568 M569 L572 L580 L583V367-F515 VanDerWaalsContact CG2-C 3.46Å; V367-F515 HydrophobicContact CG2-CB 3.78Å; V367-F515 WeakPolarHBondContact CG2-O 3.31Å; V513-F515 HydrophobicContact CG1-CD1 3.79Å; V513-F515 HydrophobicContact CG1-CE1 3.44Å; V513-F515 VanDerWaalsContact CG1-CE1 3.44Å; V513-F515 HydrophobicContact CG1-CZ 4.48Å; F515-H565 AromaticContact CE2-CD2 3.53Å; F515-H565 AromaticContact CE2-NE2 3.52Å; F515-L568 HydrophobicContact CE2-CB 4.4Å; F515-L568 HydrophobicContact CZ-CB 4.32Å; F515-M569 HydrophobicContact CE1-CE 4.03Å; F515-M569 HydrophobicContact CZ-CB 4.5Å; F515-M569 HydrophobicContact CZ-CE 3.78Å; F515-L572 HydrophobicContact CE1-CD2 4.04Å; F515-L580 HydrophobicContact CD1-CB 3.91Å; F515-L580 HydrophobicContact CD1-CD1 3.69Å; F515-L580 HydrophobicContact CD1-CG 3.85Å; F515-L580 HydrophobicContact CD2-CD1 4.28Å; F515-L580 HydrophobicContact CE1-CB 4.39Å; F515-L580 HydrophobicContact CE1-CD1 3.44Å; F515-L580 VanDerWaalsContact CE1-CD1 3.44Å; F515-L580 HydrophobicContact CE1-CG 3.81Å; F515-L580 HydrophobicContact CE2-CD1 4.04Å; F515-L580 HydrophobicContact CG-CB 4.38Å; F515-L580 HydrophobicContact CG-CD1 4.13Å; F515-L580 HydrophobicContact CZ-CD1 3.63Å; F515-L580 HydrophobicContact CZ-CG 4.48Å; F515-L583 HydrophobicContact CD2-CD2 4.38Å
516T95.2Very high88.5Confident0 Ų041 Ų410%021%0.214CC..  trans-147.6148.7177.664.10000111.9V364 T450 L514 L580 F581 G582 L583V364-T516 HydrophobicContact CG1-CG2 3.85Å; T450-T516 HydrophobicContact CG2-CG2 4.07Å; L514-T516 HydrophobicContact CD1-CG2 4.31Å; L514-T516 HydrophobicContact CD2-CG2 4.1Å; L514-T516 HydrophobicContact CG-CG2 3.92Å; T516-L580 PolarHBondContact N-O 2.94Å; T516-L580 PolarHBondContact OG1-O 3.42Å; T516-F581 HydrophobicContact CG2-CE1 4.31Å; T516-F581 WeakPolarHBondContact OG1-CA 3.48Å; T516-F581 WeakPolarHBondContact OG1-CD1 3.42Å; T516-F581 WeakPolarHBondContact OG1-CE1 3.46Å; T516-G582 PolarHBondContact O-N 3.4Å; T516-L583 VanDerWaalsContact O-CB 3.24Å; T516-L583 WeakPolarHBondContact O-CB 3.43Å; T516-L583 PolarHBondContact O-N 2.84Å
517T95.3Very high88.8Confident14 Ų1434.7 Ų34.79%0.08619%0.193CC..SBendtrans-88.5-12.1172.9630000113V367 V430 G431 T450V367-T517 HydrophobicContact CG1-CG2 4.21Å; V367-T517 HydrophobicContact CG2-CG2 4.28Å; V430-T517 PolarHBondContact O-OG1 3.43Å; G431-T517 PolarHBondContact O-OG1 3.34Å; T450-T517 PolarHBondContact N-OG1 3.35Å; T450-T517 PolarHBondContact OG1-N 3.09Å; T450-T517 PolarHBondContact OG1-OG1 3.23Å
518I94.8Very high89Confident1 Ų128.5 Ų28.51%0.00518%0.175CC..SBendtrans-84.6163.4-178.859.8164.6000112.5T354 F356 L361 V430 P521 G582T354-I518 WeakPolarHBondContact O-CB 3.33Å; F356-I518 HydrophobicContact CE2-CG2 4.02Å; L361-I518 HydrophobicContact CD1-CD1 3.58Å; V430-I518 HydrophobicContact CB-CG2 4.14Å; V430-I518 HydrophobicContact CG2-CG2 3.6Å; I518-P521 HydrophobicContact CD1-CG 4.4Å; I518-G582 PolarHBondContact O-N 2.94Å
519D92.9Very high89.3Confident21 Ų2126 Ų2611%0.11216%0.163CC..PPolyproline II helixtrans-69.6160.7168.1-71.8-60.4000110.8T354 P521 T728 E729T354-D519 WeakPolarHBondContact CB-OD2 3.5Å; T354-D519 PolarHBondContact O-N 3.19Å; T354-D519 PolarHBondContact OG1-OD2 3.04Å; D519-P521 VanDerWaalsContact O-CD 3.29Å; D519-P521 WeakPolarHBondContact O-CD 3.35Å; D519-T728 WeakPolarHBondContact OD1-CA 3.18Å; D519-T728 WeakPolarHBondContact OD1-CB 3.3Å; D519-E729 PolarHBondContact OD1-N 3Å
520L91Very high89.4Confident34 Ų3424.3 Ų24.318%0.17816%0.156CC..PPolyproline II helixtrans-62.4121.4178.9-178.371.6000110.6A524 V526 F581 L605 P732L520-A524 HydrophobicContact CD1-CB 3.61Å; L520-A524 HydrophobicContact CG-CB 4.08Å; L520-V526 HydrophobicContact CD1-CG2 3.99Å; L520-V526 HydrophobicContact CD2-CG2 3.6Å; L520-V526 HydrophobicContact CG-CG2 4.41Å; L520-F581 HydrophobicContact CB-CD1 4.39Å; L520-F581 HydrophobicContact CB-CG 4.38Å; L520-F581 HydrophobicContact CD1-CD1 4.26Å; L520-F581 HydrophobicContact CD1-CD2 3.86Å; L520-F581 HydrophobicContact CD1-CE1 3.99Å; L520-F581 HydrophobicContact CD1-CE2 3.55Å; L520-F581 HydrophobicContact CD1-CG 4.21Å; L520-F581 HydrophobicContact CD1-CZ 3.62Å; L520-L605 HydrophobicContact CD1-CD2 4.29Å; L520-P732 HydrophobicContact CD2-CB 3.86Å; L520-P732 HydrophobicContact CD2-CG 3.96Å
521P88.4Confident89.6Confident16 Ų1624.5 Ų24.510%0.10416%0.157CC..PPolyproline II helixtrans-59.6139.8175.3-24.534.6000111.8L361 F483 I518 D519 E523 A524L361-P521 HydrophobicContact CD1-CG 4.21Å; F483-P521 HydrophobicContact CD2-CG 4.38Å; F483-P521 HydrophobicContact CE2-CG 4.37Å; I518-P521 HydrophobicContact CD1-CG 4.4Å; D519-P521 VanDerWaalsContact O-CD 3.29Å; D519-P521 WeakPolarHBondContact O-CD 3.35Å; P521-E523 HydrophobicContact CB-CG 4.29Å; P521-E523 PolarHBondContact O-N 2.82Å; P521-E523 VanDerWaalsContact O-N 3.1Å; P521-A524 WeakPolarHBondContact O-CB 3.45Å; P521-A524 PolarHBondContact O-N 2.92Å
522A80.9Confident89.8Confident95 Ų9524.2 Ų24.279%0.78515%0.154SC*.THydrogen-bonded Turntrans-61.8-22.5-177.100000114
523E80.2Confident90.1Very high43 Ų4321.9 Ų21.920%0.20114%0.141CC..THydrogen-bonded Turntrans-84-9.9177.163.4-164.4-17200113.5G359 S480 P521 A525G359-E523 PolarHBondContact N-OE2 2.92Å; S480-E523 WeakPolarHBondContact CA-O 3.29Å; S480-E523 WeakPolarHBondContact CB-O 3.39Å; P521-E523 HydrophobicContact CB-CG 4.29Å; P521-E523 PolarHBondContact O-N 2.82Å; P521-E523 VanDerWaalsContact O-N 3.1Å; E523-A525 PolarHBondContact O-N 2.95Å
524A85.9Confident90.2Very high13 Ų1320.6 Ų20.611%0.10713%0.133CC..  trans-67.8122.5-176.600000112.4F483 L520 P521 V526 L605F483-A524 HydrophobicContact CE1-CB 3.65Å; F483-A524 HydrophobicContact CZ-CB 3.56Å; L520-A524 HydrophobicContact CD1-CB 3.61Å; L520-A524 HydrophobicContact CG-CB 4.08Å; P521-A524 WeakPolarHBondContact O-CB 3.45Å; P521-A524 PolarHBondContact O-N 2.92Å; A524-V526 PolarHBondContact O-N 3.23Å; A524-L605 HydrophobicContact CB-CD2 4.18Å
525A86.6Confident90.2Very high34 Ų3420.3 Ų20.328%0.28113%0.132SC..  trans-78.8101.6174.600000110.9E523 M606E523-A525 PolarHBondContact O-N 2.95Å; A525-M606 HydrophobicContact CB-CB 4.11Å; A525-M606 HydrophobicContact CB-CG 4.4Å; A525-M606 PolarHBondContact O-N 2.82Å
526V89Confident90Very high25 Ų2519.5 Ų19.515%0.15213%0.128CC..EExtended strand (participates in β ladder)trans-102.5137.9177.7178.90000111.1L520 A524 V603 Y604 L605 P732L520-V526 HydrophobicContact CD1-CG2 3.99Å; L520-V526 HydrophobicContact CD2-CG2 3.6Å; L520-V526 HydrophobicContact CG-CG2 4.41Å; A524-V526 PolarHBondContact O-N 3.23Å; V526-V603 HydrophobicContact CG1-CB 4.21Å; V526-V603 HydrophobicContact CG2-CB 4.49Å; V526-Y604 WeakPolarHBondContact CA-O 3.3Å; V526-L605 HydrophobicContact CG2-CD2 3.99Å; V526-P732 HydrophobicContact CG1-CB 4.35Å
527T89.1Confident89.7Confident28 Ų2819.5 Ų19.517%0.17213%0.128CC..EExtended strand (participates in β ladder)trans-109.2136.1170.9-68.40000110.7Y604 M606T527-Y604 PolarHBondContact N-O 3.36Å; T527-M606 VanDerWaalsContact OG1-CG 3.28Å; T527-M606 WeakPolarHBondContact OG1-CG 3.47Å; T527-M606 PolarHBondContact OG1-SD 2.95Å
528G87.9Confident89.4Confident18 Ų1818.9 Ų18.919%0.18612%0.124CC..EExtended strand (participates in β ladder)trans76.5-163.7-176.600000113.4Y648 Q649G528-Y648 CarbonylContact C-O 3.6Å; G528-Y648 WeakPolarHBondContact CA-O 3.43Å; G528-Q649 WeakPolarHBondContact CA-O 3.47Å
529K90.3Very high89.1Confident32 Ų3222 Ų2214%0.13914%0.136CC..EExtended strand (participates in β ladder)trans-107.4138.6-179.6-63.7176.7-178.5171.30110.3M577 Y648 Y724K529-M577 VanDerWaalsContact O-CE 3.31Å; K529-M577 WeakPolarHBondContact O-CE 3.42Å; K529-Y648 PolarHBondContact N-O 3.32Å; K529-Y724 HydrophobicContact CB-CE1 4.49Å; K529-Y724 HydrophobicContact CD-CD1 4.04Å; K529-Y724 HydrophobicContact CD-CE1 3.4Å; K529-Y724 PolarHBondContact NZ-OH 3.08Å
530G90.5Very high88.8Confident1 Ų124.3 Ų24.31%0.0115%0.148CC..EExtended strand (participates in β ladder)trans-67.7162.617600000113.1G602 P732G530-G602 WeakPolarHBondContact CA-O 3.48Å; G530-P732 PolarHBondContact N-O 3.27Å
531C92.2Very high88.7Confident3 Ų323.6 Ų23.62%0.0214%0.144CC..EExtended strand (participates in β ladder)trans-144.2150.717476.60000113.2I533 M577 T601 G602 Y648 T725C531-I533 PolarHBondContact O-N 3.43Å; C531-M577 HydrophobicContact CB-CE 4.03Å; C531-M577 VanDerWaalsContact SG-CE 3.53Å; C531-T601 CarbonylContact O-C 3.56Å; C531-T601 WeakPolarHBondContact O-CA 3.3Å; C531-G602 PolarHBondContact N-O 3.16Å; C531-G602 PolarHBondContact O-N 3.39Å; C531-Y648 HydrophobicContact CB-CD1 4.06Å; C531-Y648 HydrophobicContact CB-CE1 3.35Å; C531-Y648 HydrophobicContact CB-CE2 4.49Å; C531-T725 CarbonylContact C-O 3.53Å; C531-T725 WeakPolarHBondContact CA-O 3.32Å
532L93.2Very high88.6Confident19 Ų1931.9 Ų31.910%0.09918%0.178CC..EExtended strand (participates in β ladder)trans-66.2130.6170-176.777.8000110.5Q534 T725 N727 L774 L792 F794L532-Q534 HydrophobicContact CD1-CG 4.21Å; L532-Q534 HydrophobicContact CD2-CG 3.85Å; L532-Q534 HydrophobicContact CG-CG 3.84Å; L532-T725 PolarHBondContact N-O 2.83Å; L532-N727 HydrophobicContact CD1-CB 4.2Å; L532-L774 HydrophobicContact CD2-CD1 4.42Å; L532-L792 HydrophobicContact CD1-CD2 4.26Å; L532-L792 HydrophobicContact CD2-CD2 3.45Å; L532-L792 VanDerWaalsContact CD2-CD2 3.45Å; L532-L792 HydrophobicContact CG-CD2 4.41Å; L532-F794 HydrophobicContact CD2-CE2 4.44Å
533I92.6Very high88.8Confident2 Ų232.7 Ų32.71%0.0116%0.164CC..EExtended strand (participates in β ladder)trans-121.6129.2170.7-63.8175000107.5C531 L568 K571 L572 L580 A600C531-I533 PolarHBondContact O-N 3.43Å; I533-L568 HydrophobicContact CG2-CD2 3.95Å; I533-K571 HydrophobicContact CG2-CB 3.73Å; I533-K571 HydrophobicContact CG2-CD 4.37Å; I533-L572 HydrophobicContact CD1-CB 4.11Å; I533-L572 HydrophobicContact CD1-CD1 3.59Å; I533-L572 HydrophobicContact CD1-CG 4.47Å; I533-L580 HydrophobicContact CB-CD2 4.24Å; I533-L580 HydrophobicContact CD1-CD2 3.75Å; I533-L580 HydrophobicContact CG1-CD2 4.49Å; I533-A600 PolarHBondContact N-O 2.89Å; I533-A600 PolarHBondContact O-N 3.08Å
534Q92Very high89.1Confident4 Ų431.7 Ų31.72%0.01916%0.163CC..EExtended strand (participates in β ladder)trans-130.9135.3178.2-57.5-171.2-73.400111.2L532 K571 A598 S599L532-Q534 HydrophobicContact CD1-CG 4.21Å; L532-Q534 HydrophobicContact CD2-CG 3.85Å; L532-Q534 HydrophobicContact CG-CG 3.84Å; Q534-K571 WeakPolarHBondContact O-CD 3.49Å; Q534-K571 WeakPolarHBondContact O-CE 3.03Å; Q534-K571 PolarHBondContact O-NZ 2.94Å; Q534-A598 CarbonylContact C-O 3.58Å; Q534-A598 WeakPolarHBondContact CA-O 3.48Å; Q534-S599 PolarHBondContact NE2-OG 3.22Å
535A91.4Very high89.1Confident0 Ų037 Ų370%019%0.185CC..EExtended strand (participates in β ladder)trans-107.7138.2166.300000109.1L564 Q567 L568 A598A535-L564 HydrophobicContact CB-CD2 3.94Å; A535-L564 WeakPolarHBondContact CB-O 3.12Å; A535-Q567 HydrophobicContact CB-CB 3.6Å; A535-L568 HydrophobicContact CB-CD2 3.81Å; A535-L568 HydrophobicContact CB-CG 3.76Å; A535-A598 HydrophobicContact CB-CB 4.28Å; A535-A598 PolarHBondContact N-O 2.85Å; A535-A598 PolarHBondContact O-N 2.83Å
536R90.6Very high89.1Confident6 Ų636 Ų362%0.02318%0.179CC..EExtended strand (participates in β ladder)trans-135.8131-170.9-62.2179.3-167.7146.64.1108.5Q567 L597 F766 T767R536-Q567 VanDerWaalsContact N-OE1 3.07Å; R536-Q567 PolarHBondContact O-NE2 3Å; R536-Q567 PolarHBondContact O-OE1 3.37Å; R536-L597 HydrophobicContact CG-CD1 3.67Å; R536-F766 HydrophobicContact CB-CD1 3.93Å; R536-F766 HydrophobicContact CB-CE1 3.75Å; R536-F766 HydrophobicContact CG-CE1 4.22Å; R536-T767 PolarHBondContact NH1-O 2.96Å; R536-T767 VanDerWaalsContact NH1-O 3.15Å
537L89.6Confident89.2Confident1 Ų140.3 Ų40.31%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-144.6136.1-179-175.361.1000110.4R539 M560 E563 L564 L595 G596 N763L537-R539 HydrophobicContact CD1-CG 4.21Å; L537-R539 HydrophobicContact CD2-CG 4.44Å; L537-R539 HydrophobicContact CG-CG 4.19Å; L537-M560 HydrophobicContact CD2-CB 4.04Å; L537-M560 HydrophobicContact CD2-CE 4.26Å; L537-M560 HydrophobicContact CD2-CG 3.94Å; L537-E563 VanDerWaalsContact CD1-CD 3.48Å; L537-E563 HydrophobicContact CD1-CG 4.47Å; L537-E563 WeakPolarHBondContact CD1-OE1 3.2Å; L537-E563 WeakPolarHBondContact CD1-OE2 3.47Å; L537-E563 HydrophobicContact CD2-CB 4.12Å; L537-E563 HydrophobicContact CD2-CG 4.24Å; L537-E563 WeakPolarHBondContact CD2-OE2 3.22Å; L537-L564 HydrophobicContact CB-CD2 3.98Å; L537-L564 HydrophobicContact CB-CG 4.48Å; L537-L595 CarbonylContact O-C 3.46Å; L537-L595 WeakPolarHBondContact O-CA 3.16Å; L537-G596 PolarHBondContact N-O 2.94Å; L537-G596 PolarHBondContact O-N 2.86Å; L537-N763 WeakPolarHBondContact CA-OD1 3.21Å
538C89.4Confident89.3Confident0 Ų044.1 Ų44.10%022%0.22CC..EExtended strand (participates in β ladder)trans-131.8126.2170.6179.80000107.8L594 L595 L762 N763 F766C538-L594 CarbonylContact C-O 3.57Å; C538-L594 WeakPolarHBondContact CA-O 3.32Å; C538-L595 HydrophobicContact CB-CD2 3.55Å; C538-L595 WeakPolarHBondContact SG-CD2 3.39Å; C538-L762 HydrophobicContact CB-CB 4.32Å; C538-N763 PolarHBondContact N-OD1 3.41Å; C538-N763 PolarHBondContact O-ND2 2.98Å; C538-N763 PolarHBondContact O-OD1 3.36Å; C538-F766 HydrophobicContact CB-CB 4.42Å
539R87.8Confident89.4Confident66 Ų6643.3 Ų43.325%0.24921%0.211CC..EExtended strand (participates in β ladder)trans-124.8133.3177.9-71.4-166.7174.9-155.81110.9L537 E563 M593 L594 N759L537-R539 HydrophobicContact CD1-CG 4.21Å; L537-R539 HydrophobicContact CD2-CG 4.44Å; L537-R539 HydrophobicContact CG-CG 4.19Å; R539-E563 IonicContact CZ-OE2 3.45Å; R539-E563 IonicContact NE-OE2 3.41Å; R539-E563 PolarHBondContact NE-OE2 3.48Å; R539-E563 IonicContact NH2-OE2 2.67Å; R539-E563 PolarHBondContact NH2-OE2 3.42Å; R539-M593 CarbonylContact O-C 3.55Å; R539-M593 WeakPolarHBondContact O-CA 3.22Å; R539-L594 PolarHBondContact N-O 2.87Å; R539-L594 PolarHBondContact O-N 3.29Å; R539-N759 WeakPolarHBondContact CA-OD1 3.44Å
540L86.9Confident89.5Confident71 Ų7142.3 Ų42.337%0.37221%0.209SC..EExtended strand (participates in β ladder)trans-71145.1168.3-74.3167.5000110.6L757 N759 L762L540-L757 WeakPolarHBondContact CD1-O 3.4Å; L540-N759 PolarHBondContact N-OD1 3.18Å; L540-L762 HydrophobicContact CD1-CD1 3.67Å; L540-L762 HydrophobicContact CD2-CD1 3.55Å; L540-L762 HydrophobicContact CG-CD1 3.34Å
541K88.6Confident89.6Confident19 Ų1945.6 Ų45.68%0.08323%0.229CC..  trans-136.7147179.2166.8-178.7154.4-1530108.4N549 I553 N592 L594K541-N549 WeakPolarHBondContact CE-OD1 3.02Å; K541-N549 PolarHBondContact NZ-OD1 2.88Å; K541-I553 HydrophobicContact CD-CG1 4.06Å; K541-I553 VanDerWaalsContact NZ-CD1 3.26Å; K541-I553 VanDerWaalsContact NZ-CG1 3.26Å; K541-N592 PolarHBondContact N-O 2.85Å; K541-N592 CarbonylContact O-C 3.59Å; K541-N592 VanDerWaalsContact O-O 3.05Å; K541-L594 HydrophobicContact CD-CD1 4.35Å; K541-L594 HydrophobicContact CD-CG 4.49Å
542K86Confident89.6Confident190 Ų19047 Ų4783%0.82624%0.241SC*.  trans-70.4135.5174.8-65.1-178-179178.20109.6A544K542-A544 PolarHBondContact O-N 3.33Å
543K84.3Confident89.6Confident112 Ų11246.1 Ų46.149%0.48724%0.237SC..  trans-57.5123.6172.1-166158.4173.6141.10109.6E591 N592 E801K543-E591 IonicContact NZ-OE2 3.06Å; K543-E591 PolarHBondContact NZ-OE2 2.83Å; K543-N592 VanDerWaalsContact CB-OD1 3.31Å; K543-N592 WeakPolarHBondContact CB-OD1 3.45Å; K543-E801 IonicContact NZ-OE1 2.96Å; K543-E801 PolarHBondContact NZ-OE1 3.41Å; K543-E801 IonicContact NZ-OE2 2.73Å; K543-E801 PolarHBondContact NZ-OE2 2.99Å
544A86.8Confident89.7Confident22 Ų2249 Ų4918%0.18226%0.257CS..  trans-151.7159.7179.100000108.6K542 V548 N549K542-A544 PolarHBondContact O-N 3.33Å; A544-V548 HydrophobicContact CB-CB 4.41Å; A544-V548 HydrophobicContact CB-CG1 4.08Å; A544-N549 HydrophobicContact CB-CB 4.01Å; A544-N549 WeakPolarHBondContact O-CB 3.35Å; A544-N549 PolarHBondContact O-ND2 3.46Å; A544-N549 PolarHBondContact O-OD1 3.03Å
545Q86.7Confident89.7Confident123 Ų12353.6 Ų53.658%0.57528%0.282SS*.  trans-126159179.5-69-174.9-34.600111.3E547 N549Q545-E547 PolarHBondContact O-N 3.43Å; Q545-N549 PolarHBondContact O-N 2.95Å
546G86.6Confident89.8Confident14 Ų1455.7 Ų55.714%0.14429%0.293CS..Hα-helixtrans51-132.6179.400000114.6V548 N549 A550G546-V548 PolarHBondContact O-N 2.63Å; G546-N549 WeakPolarHBondContact O-CB 3.48Å; G546-N549 PolarHBondContact O-N 3.43Å; G546-N549 VanDerWaalsContact O-N 3.1Å; G546-A550 PolarHBondContact O-N 2.95Å
547E90.1Very high89.8Confident116 Ų11655.8 Ų55.854%0.54229%0.294SS..Hα-helixtrans-63.2-35-173.2-174.3170.5-176.500114.4L375 R378 Q545 N549 A550 T551L375-E547 HydrophobicContact CD1-CB 4.02Å; L375-E547 HydrophobicContact CD1-CG 4.46Å; R378-E547 IonicContact NH2-OE1 3.36Å; R378-E547 IonicContact NH2-OE2 3.8Å; R378-E547 PolarHBondContact NH2-OE2 2.98Å; Q545-E547 PolarHBondContact O-N 3.43Å; E547-N549 VanDerWaalsContact C-N 3.25Å; E547-N549 PolarHBondContact O-N 3.23Å; E547-A550 PolarHBondContact O-N 2.65Å; E547-T551 WeakPolarHBondContact O-CB 3.46Å; E547-T551 PolarHBondContact O-N 3.17Å; E547-T551 PolarHBondContact O-OG1 2.81Å
548V92.1Very high89.9Confident107 Ų10759.5 Ų59.565%0.64832%0.317SS*.Hα-helixtrans-64-38.9176.3-178.30000110A544 G546 A552A544-V548 HydrophobicContact CB-CB 4.41Å; A544-V548 HydrophobicContact CB-CG1 4.08Å; G546-V548 PolarHBondContact O-N 2.63Å; V548-A552 WeakPolarHBondContact O-CB 3.29Å; V548-A552 PolarHBondContact O-N 2.82Å
549N91Very high90Very high1 Ų165.5 Ų65.51%0.00534%0.344CS..Hα-helixtrans-66.7-47.4177.9-15828.6000111.8V442 K541 A544 Q545 G546 E547 T551 A552 I553V442-N549 HydrophobicContact CG2-CB 3.99Å; K541-N549 WeakPolarHBondContact CE-OD1 3.02Å; K541-N549 PolarHBondContact NZ-OD1 2.88Å; A544-N549 HydrophobicContact CB-CB 4.01Å; A544-N549 WeakPolarHBondContact O-CB 3.35Å; A544-N549 PolarHBondContact O-ND2 3.46Å; A544-N549 PolarHBondContact O-OD1 3.03Å; Q545-N549 PolarHBondContact O-N 2.95Å; G546-N549 WeakPolarHBondContact O-CB 3.48Å; G546-N549 PolarHBondContact O-N 3.43Å; G546-N549 VanDerWaalsContact O-N 3.1Å; E547-N549 VanDerWaalsContact C-N 3.25Å; E547-N549 PolarHBondContact O-N 3.23Å; N549-T551 VanDerWaalsContact C-N 3.34Å; N549-T551 PolarHBondContact O-N 3.33Å; N549-A552 PolarHBondContact O-N 2.94Å; N549-I553 WeakPolarHBondContact O-CG1 3.47Å; N549-I553 PolarHBondContact O-N 3.25Å
550A91.8Very high90.1Very high12 Ų1262.3 Ų62.310%0.09933%0.332CS..Hα-helixtrans-60.1-43.6176.900000111.9V373 L375 V442 G546 E547 A552 I553 S554V373-A550 HydrophobicContact CG1-CB 3.78Å; L375-A550 HydrophobicContact CD2-CB 3.83Å; L375-A550 HydrophobicContact CG-CB 4.3Å; V442-A550 HydrophobicContact CG1-CB 4.14Å; V442-A550 HydrophobicContact CG2-CB 4.31Å; G546-A550 PolarHBondContact O-N 2.95Å; E547-A550 PolarHBondContact O-N 2.65Å; A550-A552 PolarHBondContact O-N 3.48Å; A550-I553 PolarHBondContact O-N 2.61Å; A550-S554 WeakPolarHBondContact O-CB 3.46Å; A550-S554 PolarHBondContact O-N 2.91Å
551T92.6Very high90.3Very high70 Ų7062 Ų6243%0.42933%0.328SS..Hα-helixtrans-63.2-42.6177-56.10000111.5E547 N549 I553 S554 N555E547-T551 WeakPolarHBondContact O-CB 3.46Å; E547-T551 PolarHBondContact O-N 3.17Å; E547-T551 PolarHBondContact O-OG1 2.81Å; N549-T551 VanDerWaalsContact C-N 3.34Å; N549-T551 PolarHBondContact O-N 3.33Å; T551-I553 PolarHBondContact O-N 3.16Å; T551-S554 PolarHBondContact O-N 2.97Å; T551-N555 WeakPolarHBondContact O-CB 3.16Å; T551-N555 VanDerWaalsContact O-CG 3.26Å; T551-N555 PolarHBondContact O-N 3.38Å; T551-N555 PolarHBondContact O-ND2 2.84Å
552A92.2Very high90.3Very high33 Ų3368.8 Ų68.827%0.27336%0.355SS..Hα-helixtrans-62.5-42.1177.100000112.2V548 N549 A550 L556V548-A552 WeakPolarHBondContact O-CB 3.29Å; V548-A552 PolarHBondContact O-N 2.82Å; N549-A552 PolarHBondContact O-N 2.94Å; A550-A552 PolarHBondContact O-N 3.48Å; A552-L556 VanDerWaalsContact O-CG 3.28Å; A552-L556 WeakPolarHBondContact O-CG 3.46Å; A552-L556 PolarHBondContact O-N 2.62Å
553I93.5Very high90.4Very high0 Ų062 Ų620%033%0.326CS..Hα-helixtrans-64.6-50.2175.4-68162.9000110.5V373 V442 I444 K541 N549 A550 T551 N555 L556 L557 V589 L594V373-I553 HydrophobicContact CG1-CG2 4.46Å; V373-I553 HydrophobicContact CG2-CG2 3.87Å; V442-I553 HydrophobicContact CB-CD1 4.43Å; V442-I553 HydrophobicContact CG1-CD1 3.78Å; I444-I553 HydrophobicContact CD1-CG2 3.52Å; I444-I553 HydrophobicContact CG1-CG2 4.11Å; K541-I553 HydrophobicContact CD-CG1 4.06Å; K541-I553 VanDerWaalsContact NZ-CD1 3.26Å; K541-I553 VanDerWaalsContact NZ-CG1 3.26Å; N549-I553 WeakPolarHBondContact O-CG1 3.47Å; N549-I553 PolarHBondContact O-N 3.25Å; A550-I553 PolarHBondContact O-N 2.61Å; T551-I553 PolarHBondContact O-N 3.16Å; I553-N555 PolarHBondContact O-N 2.68Å; I553-L556 WeakPolarHBondContact O-CA 3.4Å; I553-L556 PolarHBondContact O-N 2.74Å; I553-L557 HydrophobicContact CG2-CD1 4.13Å; I553-L557 HydrophobicContact CG2-CG 4.11Å; I553-L557 WeakPolarHBondContact O-CG 3.33Å; I553-L557 PolarHBondContact O-N 3.26Å; I553-V589 HydrophobicContact CD1-CG1 3.72Å; I553-V589 HydrophobicContact CG1-CG1 4.47Å; I553-L594 HydrophobicContact CG1-CD2 4.44Å; I553-L594 HydrophobicContact CG2-CD2 4.42Å
554S93.9Very high90.7Very high61 Ų6156.7 Ų56.743%0.42730%0.303SS..Hα-helixtrans-56.1-41.2-178.2-174.30000111.7A550 T551 L556 P558A550-S554 WeakPolarHBondContact O-CB 3.46Å; A550-S554 PolarHBondContact O-N 2.91Å; T551-S554 PolarHBondContact O-N 2.97Å; S554-L556 VanDerWaalsContact C-N 3.3Å; S554-L556 PolarHBondContact O-N 2.78Å; S554-P558 VanDerWaalsContact O-CD 3.24Å; S554-P558 WeakPolarHBondContact O-CD 3.46Å
555N92.7Very high90.8Very high102 Ų10260 Ų6055%0.54531%0.314SS..Hα-helixtrans-68.5-24.6175.6-70.7-27.4000113.9T551 I553 F559T551-N555 WeakPolarHBondContact O-CB 3.16Å; T551-N555 VanDerWaalsContact O-CG 3.26Å; T551-N555 PolarHBondContact O-N 3.38Å; T551-N555 PolarHBondContact O-ND2 2.84Å; I553-N555 PolarHBondContact O-N 2.68Å; N555-F559 WeakPolarHBondContact O-CD2 3.4Å; N555-F559 WeakPolarHBondContact O-CE2 3.34Å
556L91.9Very high90.9Very high44 Ų4455.5 Ų55.523%0.2330%0.295CS..Hα-helixtrans-89-29-178.5-72.7171.8000113.2A552 I553 S554 F559 M560 L594A552-L556 VanDerWaalsContact O-CG 3.28Å; A552-L556 WeakPolarHBondContact O-CG 3.46Å; A552-L556 PolarHBondContact O-N 2.62Å; I553-L556 WeakPolarHBondContact O-CA 3.4Å; I553-L556 PolarHBondContact O-N 2.74Å; S554-L556 VanDerWaalsContact C-N 3.3Å; S554-L556 PolarHBondContact O-N 2.78Å; L556-F559 PolarHBondContact O-N 3.09Å; L556-M560 PolarHBondContact O-N 3.21Å; L556-M560 VanDerWaalsContact O-N 3.09Å; L556-L594 HydrophobicContact CB-CD1 4.03Å; L556-L594 HydrophobicContact CD1-CD1 3.75Å
557L92.3Very high90.9Very high8 Ų855.4 Ų55.44%0.04229%0.291CS..Hα-helixtrans-55.8-48.7-174-77.1174.7000113.9V373 I444 I553 F559 M560 E561 I587V373-L557 HydrophobicContact CG2-CD1 3.58Å; I444-L557 HydrophobicContact CD1-CD1 4.29Å; I444-L557 HydrophobicContact CD1-CD2 4.12Å; I444-L557 HydrophobicContact CG2-CD1 4.47Å; I553-L557 HydrophobicContact CG2-CD1 4.13Å; I553-L557 HydrophobicContact CG2-CG 4.11Å; I553-L557 WeakPolarHBondContact O-CG 3.33Å; I553-L557 PolarHBondContact O-N 3.26Å; L557-F559 VanDerWaalsContact C-N 3.26Å; L557-F559 PolarHBondContact O-N 3.42Å; L557-M560 WeakPolarHBondContact O-CB 3.4Å; L557-M560 PolarHBondContact O-N 3.46Å; L557-M560 VanDerWaalsContact O-N 3.09Å; L557-E561 WeakPolarHBondContact O-CG 3.45Å; L557-E561 PolarHBondContact O-N 3.01Å; L557-I587 HydrophobicContact CD2-CD1 3.72Å; L557-I587 HydrophobicContact CD2-CG2 4.04Å
558P91.9Very high90.9Very high78 Ų7850 Ų5051%0.50627%0.266SS..Hα-helixtrans-59.7-36.7-179.7-25.234.8000113S554 E561 Y562S554-P558 VanDerWaalsContact O-CD 3.24Å; S554-P558 WeakPolarHBondContact O-CD 3.46Å; P558-E561 PolarHBondContact O-N 3.32Å; P558-Y562 WeakPolarHBondContact O-CB 3.23Å; P558-Y562 PolarHBondContact O-N 3.24Å
559F90.7Very high90.8Very high126 Ų12646.4 Ų46.455%0.55324%0.242SC*.Hα-helixtrans-70-38.8177.6-59.9-75.3000112N555 L556 L557 E563N555-F559 WeakPolarHBondContact O-CD2 3.4Å; N555-F559 WeakPolarHBondContact O-CE2 3.34Å; L556-F559 PolarHBondContact O-N 3.09Å; L557-F559 VanDerWaalsContact C-N 3.26Å; L557-F559 PolarHBondContact O-N 3.42Å; F559-E563 WeakPolarHBondContact O-CB 3.46Å; F559-E563 PolarHBondContact O-N 3.42Å
560M89.8Confident90.6Very high0 Ų046.7 Ų46.70%024%0.244CC..Hα-helixtrans-64-43.6174.7-70.8-17366.300111.5L537 L556 L557 E563 L564 L594L537-M560 HydrophobicContact CD2-CB 4.04Å; L537-M560 HydrophobicContact CD2-CE 4.26Å; L537-M560 HydrophobicContact CD2-CG 3.94Å; L556-M560 PolarHBondContact O-N 3.21Å; L556-M560 VanDerWaalsContact O-N 3.09Å; L557-M560 WeakPolarHBondContact O-CB 3.4Å; L557-M560 PolarHBondContact O-N 3.46Å; L557-M560 VanDerWaalsContact O-N 3.09Å; M560-E563 PolarHBondContact O-N 2.98Å; M560-L564 WeakPolarHBondContact O-CB 3.37Å; M560-L564 VanDerWaalsContact O-CG 3.3Å; M560-L564 WeakPolarHBondContact O-CG 3.47Å; M560-L564 PolarHBondContact O-N 3.32Å; M560-L594 HydrophobicContact CE-CB 3.95Å; M560-L594 HydrophobicContact SD-CB 3.64Å; M560-L594 HydrophobicContact SD-CD1 3.94Å; M560-L594 HydrophobicContact SD-CG 4.33Å
561E89.9Confident90.5Very high63 Ų6346.4 Ų46.429%0.29424%0.241SC..Hα-helixtrans-62.3-47.2177.4-70.8179-171.500112.1R371 L557 P558 E563 L564 H565R371-E561 VanDerWaalsContact CD-OE1 3.26Å; R371-E561 WeakPolarHBondContact CD-OE1 3.38Å; R371-E561 IonicContact CZ-OE1 2.66Å; R371-E561 IonicContact NE-OE1 3.47Å; R371-E561 IonicContact NH1-OE1 3.37Å; R371-E561 PolarHBondContact NH1-OE1 2.91Å; R371-E561 IonicContact NH1-OE2 2.69Å; L557-E561 WeakPolarHBondContact O-CG 3.45Å; L557-E561 PolarHBondContact O-N 3.01Å; P558-E561 PolarHBondContact O-N 3.32Å; E561-E563 VanDerWaalsContact C-N 3.31Å; E561-E563 PolarHBondContact O-N 3.28Å; E561-L564 PolarHBondContact O-N 2.85Å; E561-H565 VanDerWaalsContact O-CB 3.29Å; E561-H565 WeakPolarHBondContact O-CB 3.26Å; E561-H565 PolarHBondContact O-N 2.97Å
562Y90.1Very high90.3Very high163 Ų16343.1 Ų43.164%0.63922%0.22SC*.Hα-helixtrans-58.2-44.2176.8175.7-98.8000111.8P558 T566P558-Y562 WeakPolarHBondContact O-CB 3.23Å; P558-Y562 PolarHBondContact O-N 3.24Å; Y562-T566 VanDerWaalsContact O-CB 3.3Å; Y562-T566 WeakPolarHBondContact O-CB 3.45Å; Y562-T566 PolarHBondContact O-N 3.1Å; Y562-T566 PolarHBondContact O-OG1 2.71Å
563E87.3Confident90.1Very high46 Ų4642.9 Ų42.922%0.21521%0.213CC..Hα-helixtrans-69-44.4-179.9-172.5175.1178.800112.1L537 R539 F559 M560 E561 H565 T566 Q567L537-E563 VanDerWaalsContact CD1-CD 3.48Å; L537-E563 HydrophobicContact CD1-CG 4.47Å; L537-E563 WeakPolarHBondContact CD1-OE1 3.2Å; L537-E563 WeakPolarHBondContact CD1-OE2 3.47Å; L537-E563 HydrophobicContact CD2-CB 4.12Å; L537-E563 HydrophobicContact CD2-CG 4.24Å; L537-E563 WeakPolarHBondContact CD2-OE2 3.22Å; R539-E563 IonicContact CZ-OE2 3.45Å; R539-E563 IonicContact NE-OE2 3.41Å; R539-E563 PolarHBondContact NE-OE2 3.48Å; R539-E563 IonicContact NH2-OE2 2.67Å; R539-E563 PolarHBondContact NH2-OE2 3.42Å; F559-E563 WeakPolarHBondContact O-CB 3.46Å; F559-E563 PolarHBondContact O-N 3.42Å; M560-E563 PolarHBondContact O-N 2.98Å; E561-E563 VanDerWaalsContact C-N 3.31Å; E561-E563 PolarHBondContact O-N 3.28Å; E563-H565 VanDerWaalsContact C-N 3.34Å; E563-H565 PolarHBondContact O-N 3.32Å; E563-T566 PolarHBondContact O-N 3.33Å; E563-Q567 WeakPolarHBondContact O-CB 3.4Å; E563-Q567 WeakPolarHBondContact O-CG 3.4Å; E563-Q567 PolarHBondContact O-N 3.25Å
564L90.6Very high89.8Confident2 Ų243 Ų431%0.0121%0.214CC..Hα-helixtrans-59-46174.5-74.1172.6000111.2A535 L537 M560 E561 T566 Q567 L568 I585A535-L564 HydrophobicContact CB-CD2 3.94Å; A535-L564 WeakPolarHBondContact CB-O 3.12Å; L537-L564 HydrophobicContact CB-CD2 3.98Å; L537-L564 HydrophobicContact CB-CG 4.48Å; M560-L564 WeakPolarHBondContact O-CB 3.37Å; M560-L564 VanDerWaalsContact O-CG 3.3Å; M560-L564 WeakPolarHBondContact O-CG 3.47Å; M560-L564 PolarHBondContact O-N 3.32Å; E561-L564 PolarHBondContact O-N 2.85Å; L564-T566 PolarHBondContact O-N 3.22Å; L564-Q567 PolarHBondContact O-N 3.15Å; L564-L568 WeakPolarHBondContact O-CG 3.49Å; L564-L568 PolarHBondContact O-N 3.02Å; L564-I585 HydrophobicContact CD1-CG2 4.08Å
565H90.1Very high89.5Confident90 Ų9040.8 Ų40.842%0.41720%0.196SC..Hα-helixtrans-61.1-44.8176.8178.1-87.6000111.7F515 E561 E563 L568 M569F515-H565 AromaticContact CE2-CD2 3.53Å; F515-H565 AromaticContact CE2-NE2 3.52Å; E561-H565 VanDerWaalsContact O-CB 3.29Å; E561-H565 WeakPolarHBondContact O-CB 3.26Å; E561-H565 PolarHBondContact O-N 2.97Å; E563-H565 VanDerWaalsContact C-N 3.34Å; E563-H565 PolarHBondContact O-N 3.32Å; H565-L568 PolarHBondContact O-N 3.42Å; H565-M569 WeakPolarHBondContact O-CB 3.49Å; H565-M569 PolarHBondContact O-N 3.07Å
566T87.3Confident89.4Confident30 Ų3036.2 Ų36.218%0.18417%0.172CC..Hα-helixtrans-63-43.9178.6-60.90000111.5Y562 E563 L564 M569 N570Y562-T566 VanDerWaalsContact O-CB 3.3Å; Y562-T566 WeakPolarHBondContact O-CB 3.45Å; Y562-T566 PolarHBondContact O-N 3.1Å; Y562-T566 PolarHBondContact O-OG1 2.71Å; E563-T566 PolarHBondContact O-N 3.33Å; L564-T566 PolarHBondContact O-N 3.22Å; T566-M569 PolarHBondContact O-N 2.95Å; T566-N570 WeakPolarHBondContact O-CB 3.42Å; T566-N570 PolarHBondContact O-N 3.32Å; T566-N570 PolarHBondContact O-ND2 3.36Å; T566-N570 VanDerWaalsContact O-ND2 3.14Å
567Q87.6Confident89.3Confident11 Ų1134.2 Ų34.25%0.05116%0.162CC..Hα-helixtrans-60.8-46174.6-74.7-173.717.700112A535 R536 E563 L564 M569 N570 K571A535-Q567 HydrophobicContact CB-CB 3.6Å; R536-Q567 VanDerWaalsContact N-OE1 3.07Å; R536-Q567 PolarHBondContact O-NE2 3Å; R536-Q567 PolarHBondContact O-OE1 3.37Å; E563-Q567 WeakPolarHBondContact O-CB 3.4Å; E563-Q567 WeakPolarHBondContact O-CG 3.4Å; E563-Q567 PolarHBondContact O-N 3.25Å; L564-Q567 PolarHBondContact O-N 3.15Å; Q567-M569 PolarHBondContact O-N 2.83Å; Q567-N570 PolarHBondContact O-N 3.1Å; Q567-K571 WeakPolarHBondContact O-CB 3.37Å; Q567-K571 WeakPolarHBondContact O-CG 3.41Å; Q567-K571 PolarHBondContact O-N 3.37Å
568L90.6Very high89.3Confident2 Ų233.8 Ų33.81%0.0116%0.16CC..Hα-helixtrans-59-47.4177.1-73.9177.1000111.7F515 I533 A535 L564 H565 N570 K571 L572 L580 L583 A598F515-L568 HydrophobicContact CE2-CB 4.4Å; F515-L568 HydrophobicContact CZ-CB 4.32Å; I533-L568 HydrophobicContact CG2-CD2 3.95Å; A535-L568 HydrophobicContact CB-CD2 3.81Å; A535-L568 HydrophobicContact CB-CG 3.76Å; L564-L568 WeakPolarHBondContact O-CG 3.49Å; L564-L568 PolarHBondContact O-N 3.02Å; H565-L568 PolarHBondContact O-N 3.42Å; L568-N570 PolarHBondContact O-N 3.37Å; L568-K571 PolarHBondContact O-N 2.82Å; L568-L572 VanDerWaalsContact O-CB 3.31Å; L568-L572 WeakPolarHBondContact O-CB 3.44Å; L568-L572 PolarHBondContact O-N 3.18Å; L568-L580 HydrophobicContact CB-CD1 4.18Å; L568-L580 HydrophobicContact CD1-CD1 4.36Å; L568-L580 HydrophobicContact CD2-CD1 4.49Å; L568-L583 HydrophobicContact CD1-CD1 3.68Å; L568-A598 HydrophobicContact CD1-CB 3.8Å; L568-A598 HydrophobicContact CD2-CB 4.23Å; L568-A598 HydrophobicContact CG-CB 4.21Å
569M88.6Confident89.4Confident32 Ų3230.1 Ų30.116%0.15814%0.135CC..Hα-helixtrans-60.6-45.9179.1-177.761.269.100111.7V513 F515 H565 T566 Q567 L572 K573V513-M569 HydrophobicContact CB-CE 4.05Å; V513-M569 HydrophobicContact CB-SD 4.3Å; V513-M569 HydrophobicContact CG1-CE 3.84Å; V513-M569 HydrophobicContact CG1-SD 4.11Å; V513-M569 HydrophobicContact CG2-CE 4.31Å; V513-M569 HydrophobicContact CG2-SD 3.93Å; F515-M569 HydrophobicContact CE1-CE 4.03Å; F515-M569 HydrophobicContact CZ-CB 4.5Å; F515-M569 HydrophobicContact CZ-CE 3.78Å; H565-M569 WeakPolarHBondContact O-CB 3.49Å; H565-M569 PolarHBondContact O-N 3.07Å; T566-M569 PolarHBondContact O-N 2.95Å; Q567-M569 PolarHBondContact O-N 2.83Å; M569-L572 PolarHBondContact O-N 2.91Å; M569-K573 WeakPolarHBondContact O-CG 3.34Å; M569-K573 PolarHBondContact O-N 3.15Å; M569-K573 VanDerWaalsContact O-N 3.08Å
570N87Confident89.7Confident7 Ų724.1 Ų24.14%0.03711%0.109CC..Hα-helixtrans-66.4-42.8180-67.8-25.6000111.8T566 Q567 L568 L572 K573 L574 L714T566-N570 WeakPolarHBondContact O-CB 3.42Å; T566-N570 PolarHBondContact O-N 3.32Å; T566-N570 PolarHBondContact O-ND2 3.36Å; T566-N570 VanDerWaalsContact O-ND2 3.14Å; Q567-N570 PolarHBondContact O-N 3.1Å; L568-N570 PolarHBondContact O-N 3.37Å; N570-L572 VanDerWaalsContact C-N 3.35Å; N570-L572 PolarHBondContact O-N 3.36Å; N570-K573 PolarHBondContact O-N 3.43Å; N570-L574 WeakPolarHBondContact O-CG 3.22Å; N570-L574 PolarHBondContact O-N 2.93Å; N570-L714 HydrophobicContact CB-CD2 3.51Å
571K89Confident90Very high7 Ų724.1 Ų24.13%0.0311%0.109CC..Hα-helixtrans-64.3-38.5175.8-72.9-174.7177.9-162.10112.3I533 Q534 Q567 L568 L574 R575 L713 D716I533-K571 HydrophobicContact CG2-CB 3.73Å; I533-K571 HydrophobicContact CG2-CD 4.37Å; Q534-K571 WeakPolarHBondContact O-CD 3.49Å; Q534-K571 WeakPolarHBondContact O-CE 3.03Å; Q534-K571 PolarHBondContact O-NZ 2.94Å; Q567-K571 WeakPolarHBondContact O-CB 3.37Å; Q567-K571 WeakPolarHBondContact O-CG 3.41Å; Q567-K571 PolarHBondContact O-N 3.37Å; L568-K571 PolarHBondContact O-N 2.82Å; K571-L574 PolarHBondContact O-N 3.44Å; K571-R575 VanDerWaalsContact O-CG 3.26Å; K571-R575 WeakPolarHBondContact O-CG 3.3Å; K571-R575 PolarHBondContact O-N 2.9Å; K571-L713 WeakPolarHBondContact CE-O 3.46Å; K571-L713 PolarHBondContact NZ-O 3.28Å; K571-D716 IonicContact NZ-OD1 2.8Å; K571-D716 PolarHBondContact NZ-OD1 2.93Å; K571-D716 IonicContact NZ-OD2 2.79Å; K571-D716 PolarHBondContact NZ-OD2 2.9Å
572L90.2Very high90.2Very high0 Ų021.6 Ų21.60%010%0.1CC..Hα-helixtrans-60.5-47.3175.4-176.472.8000111.7V513 F515 I533 L568 M569 N570 L574 R575 S576 M577 L580V513-L572 HydrophobicContact CG1-CD2 3.47Å; V513-L572 VanDerWaalsContact CG1-CD2 3.47Å; F515-L572 HydrophobicContact CE1-CD2 4.04Å; I533-L572 HydrophobicContact CD1-CB 4.11Å; I533-L572 HydrophobicContact CD1-CD1 3.59Å; I533-L572 HydrophobicContact CD1-CG 4.47Å; L568-L572 VanDerWaalsContact O-CB 3.31Å; L568-L572 WeakPolarHBondContact O-CB 3.44Å; L568-L572 PolarHBondContact O-N 3.18Å; M569-L572 PolarHBondContact O-N 2.91Å; N570-L572 VanDerWaalsContact C-N 3.35Å; N570-L572 PolarHBondContact O-N 3.36Å; L572-L574 PolarHBondContact O-N 3.09Å; L572-R575 CarbonylContact O-C 3.5Å; L572-R575 PolarHBondContact O-N 3.04Å; L572-S576 PolarHBondContact O-N 2.83Å; L572-M577 HydrophobicContact CD1-CB 3.44Å; L572-M577 VanDerWaalsContact CD1-CB 3.44Å; L572-M577 HydrophobicContact CG-CB 4.19Å; L572-M577 WeakPolarHBondContact CG-O 3.31Å; L572-M577 PolarHBondContact O-N 2.82Å; L572-M577 VanDerWaalsContact O-N 3.12Å; L572-L580 HydrophobicContact CD1-CD2 3.74Å; L572-L580 HydrophobicContact CD1-CG 4.18Å; L572-L580 HydrophobicContact CD2-CG 4.34Å
573K87.4Confident90.4Very high29 Ų2914.4 Ų14.413%0.1267%0.073CC..Hα-helixtrans-62.3-40.9175.8-70.4178-177.4177.40112.1M569 N570 R575 S576 P611 I614 F697M569-K573 WeakPolarHBondContact O-CG 3.34Å; M569-K573 PolarHBondContact O-N 3.15Å; M569-K573 VanDerWaalsContact O-N 3.08Å; N570-K573 PolarHBondContact O-N 3.43Å; K573-R575 VanDerWaalsContact C-N 3.26Å; K573-R575 PolarHBondContact O-N 2.82Å; K573-S576 WeakPolarHBondContact O-CA 3.37Å; K573-S576 PolarHBondContact O-N 2.8Å; K573-P611 HydrophobicContact CG-CB 4.22Å; K573-I614 HydrophobicContact CB-CD1 3.96Å; K573-I614 HydrophobicContact CB-CG1 3.99Å; K573-I614 HydrophobicContact CD-CG1 4.34Å; K573-F697 VanDerWaalsContact NZ-CB 3.35Å
574L87.3Confident90.7Very high3 Ų314.8 Ų14.82%0.0167%0.074CC..Hα-helixtrans-63.1-30.8175.6-75.8168.2000113.8N570 K571 L572 I614 I637 I641 N644 L714N570-L574 WeakPolarHBondContact O-CG 3.22Å; N570-L574 PolarHBondContact O-N 2.93Å; K571-L574 PolarHBondContact O-N 3.44Å; L572-L574 PolarHBondContact O-N 3.09Å; L574-I614 HydrophobicContact CD1-CD1 4.39Å; L574-I614 HydrophobicContact CD2-CD1 3.75Å; L574-I614 HydrophobicContact CG-CD1 3.58Å; L574-I637 HydrophobicContact CD2-CG1 4.41Å; L574-I637 HydrophobicContact CD2-CG2 3.83Å; L574-I641 HydrophobicContact CD2-CD1 4.49Å; L574-I641 HydrophobicContact CD2-CG1 4.26Å; L574-N644 PolarHBondContact O-ND2 3.03Å; L574-L714 HydrophobicContact CD1-CB 3.51Å; L574-L714 HydrophobicContact CD1-CD1 4.08Å; L574-L714 HydrophobicContact CD1-CD2 4.07Å; L574-L714 HydrophobicContact CD1-CG 4.1Å
575R87.8Confident90.8Very high13 Ų1316.6 Ų16.65%0.0498%0.084CC..THydrogen-bonded Turntrans-84.31174.8-62.8-70.8-177.3-93.82112.6K571 L572 K573 M577 N644 I650K571-R575 VanDerWaalsContact O-CG 3.26Å; K571-R575 WeakPolarHBondContact O-CG 3.3Å; K571-R575 PolarHBondContact O-N 2.9Å; L572-R575 CarbonylContact O-C 3.5Å; L572-R575 PolarHBondContact O-N 3.04Å; K573-R575 VanDerWaalsContact C-N 3.26Å; K573-R575 PolarHBondContact O-N 2.82Å; R575-M577 VanDerWaalsContact C-N 3.27Å; R575-M577 HydrophobicContact CB-CG 4.42Å; R575-M577 HydrophobicContact CB-SD 4.21Å; R575-M577 PolarHBondContact O-N 3.32Å; R575-N644 PolarHBondContact NH1-ND2 2.82Å; R575-I650 WeakPolarHBondContact O-CD1 3.31Å
576S89.3Confident91Very high7 Ų713.4 Ų13.45%0.0497%0.069CC..THydrogen-bonded Turntrans57.735.9-177.4-170.40000113.6L572 K573 Y604 K645L572-S576 PolarHBondContact O-N 2.83Å; K573-S576 WeakPolarHBondContact O-CA 3.37Å; K573-S576 PolarHBondContact O-N 2.8Å; S576-Y604 WeakPolarHBondContact O-CD2 3.31Å; S576-K645 WeakPolarHBondContact OG-CE 3.26Å; S576-K645 WeakPolarHBondContact OG-CG 3.5Å
577M91.4Very high91.3Very high1 Ų112 Ų121%0.0056%0.06CC..  trans-112164.1179.2-71.4173.6-177.400110.7K529 C531 L572 R575 V603 P611 Y648 I650K529-M577 VanDerWaalsContact O-CE 3.31Å; K529-M577 WeakPolarHBondContact O-CE 3.42Å; C531-M577 HydrophobicContact CB-CE 4.03Å; C531-M577 VanDerWaalsContact SG-CE 3.53Å; L572-M577 HydrophobicContact CD1-CB 3.44Å; L572-M577 VanDerWaalsContact CD1-CB 3.44Å; L572-M577 HydrophobicContact CG-CB 4.19Å; L572-M577 WeakPolarHBondContact CG-O 3.31Å; L572-M577 PolarHBondContact O-N 2.82Å; L572-M577 VanDerWaalsContact O-N 3.12Å; R575-M577 VanDerWaalsContact C-N 3.27Å; R575-M577 HydrophobicContact CB-CG 4.42Å; R575-M577 HydrophobicContact CB-SD 4.21Å; R575-M577 PolarHBondContact O-N 3.32Å; M577-V603 WeakPolarHBondContact CB-O 3.41Å; M577-P611 WeakPolarHBondContact O-CB 3.33Å; M577-P611 WeakPolarHBondContact O-CG 3.4Å; M577-Y648 HydrophobicContact CE-CD1 4.14Å; M577-Y648 HydrophobicContact CE-CD2 4.1Å; M577-Y648 HydrophobicContact CE-CG 3.85Å; M577-I650 HydrophobicContact CE-CD1 4.06Å; M577-I650 HydrophobicContact CG-CD1 3.84Å
578N92.3Very high91.5Very high0 Ų011.9 Ų11.90%06%0.061CC..  trans-132.32.2-174.76110.4000114.2V513 L514 V603 Y604 L605 L608 P609V513-N578 VanDerWaalsContact CA-O 3.3Å; V513-N578 WeakPolarHBondContact CA-O 3.48Å; L514-N578 PolarHBondContact N-O 2.81Å; L514-N578 VanDerWaalsContact N-O 3.15Å; N578-V603 PolarHBondContact N-O 3.27Å; N578-V603 VanDerWaalsContact N-O 3.15Å; N578-V603 PolarHBondContact OD1-O 2.76Å; N578-Y604 WeakPolarHBondContact OD1-CA 3.41Å; N578-L605 PolarHBondContact ND2-O 2.68Å; N578-L605 PolarHBondContact OD1-N 3.49Å; N578-L608 HydrophobicContact CB-CB 4.38Å; N578-L608 WeakPolarHBondContact ND2-CB 3.17Å; N578-L608 PolarHBondContact ND2-O 3.42Å; N578-L608 WeakPolarHBondContact O-CD1 3.26Å; N578-P609 PolarHBondContact ND2-O 2.7Å
579A94.3Very high91.6Very high0 Ų012 Ų120%06%0.061CC..EExtended strand (participates in β ladder)trans-144.3151.2172.700000113.3L514 F581 G602 V603 L605 L608L514-A579 HydrophobicContact CB-CB 4.16Å; L514-A579 CarbonylContact O-C 3.43Å; L514-A579 WeakPolarHBondContact O-CA 3.42Å; A579-F581 HydrophobicContact CB-CD2 4.41Å; A579-F581 HydrophobicContact CB-CE2 3.82Å; A579-G602 WeakPolarHBondContact O-CA 3.24Å; A579-V603 HydrophobicContact CB-CG2 3.87Å; A579-V603 PolarHBondContact N-O 3.15Å; A579-V603 PolarHBondContact O-N 3.42Å; A579-L605 HydrophobicContact CB-CD1 3.58Å; A579-L605 HydrophobicContact CB-CG 3.84Å; A579-L608 HydrophobicContact CB-CD1 4.19Å
580L95.8Very high91.7Very high0 Ų010.5 Ų10.50%06%0.055CC..EExtended strand (participates in β ladder)trans-117.1130.1172.8-67.8-178.3000110.4L514 F515 T516 I533 L568 L572 A600 T601L514-L580 PolarHBondContact O-N 3.22Å; F515-L580 HydrophobicContact CD1-CB 3.91Å; F515-L580 HydrophobicContact CD1-CD1 3.69Å; F515-L580 HydrophobicContact CD1-CG 3.85Å; F515-L580 HydrophobicContact CD2-CD1 4.28Å; F515-L580 HydrophobicContact CE1-CB 4.39Å; F515-L580 HydrophobicContact CE1-CD1 3.44Å; F515-L580 VanDerWaalsContact CE1-CD1 3.44Å; F515-L580 HydrophobicContact CE1-CG 3.81Å; F515-L580 HydrophobicContact CE2-CD1 4.04Å; F515-L580 HydrophobicContact CG-CB 4.38Å; F515-L580 HydrophobicContact CG-CD1 4.13Å; F515-L580 HydrophobicContact CZ-CD1 3.63Å; F515-L580 HydrophobicContact CZ-CG 4.48Å; T516-L580 PolarHBondContact N-O 2.94Å; T516-L580 PolarHBondContact OG1-O 3.42Å; I533-L580 HydrophobicContact CB-CD2 4.24Å; I533-L580 HydrophobicContact CD1-CD2 3.75Å; I533-L580 HydrophobicContact CG1-CD2 4.49Å; L568-L580 HydrophobicContact CB-CD1 4.18Å; L568-L580 HydrophobicContact CD1-CD1 4.36Å; L568-L580 HydrophobicContact CD2-CD1 4.49Å; L572-L580 HydrophobicContact CD1-CD2 3.74Å; L572-L580 HydrophobicContact CD1-CG 4.18Å; L572-L580 HydrophobicContact CD2-CG 4.34Å; L580-A600 HydrophobicContact CB-CB 4.04Å; L580-A600 HydrophobicContact CD1-CB 4.22Å; L580-A600 HydrophobicContact CD2-CB 3.94Å; L580-A600 HydrophobicContact CG-CB 4.3Å; L580-T601 WeakPolarHBondContact CA-O 3.34Å
581F95.6Very high91.7Very high1 Ų112.2 Ų12.20%0.0046%0.062CC..EExtended strand (participates in β ladder)trans-121151.3173.9-71.2-92000111.4F483 T516 L520 A579 L583 T601 V603 L605 T728F483-F581 HydrophobicContact CE2-CZ 4.11Å; T516-F581 HydrophobicContact CG2-CE1 4.31Å; T516-F581 WeakPolarHBondContact OG1-CA 3.48Å; T516-F581 WeakPolarHBondContact OG1-CD1 3.42Å; T516-F581 WeakPolarHBondContact OG1-CE1 3.46Å; L520-F581 HydrophobicContact CB-CD1 4.39Å; L520-F581 HydrophobicContact CB-CG 4.38Å; L520-F581 HydrophobicContact CD1-CD1 4.26Å; L520-F581 HydrophobicContact CD1-CD2 3.86Å; L520-F581 HydrophobicContact CD1-CE1 3.99Å; L520-F581 HydrophobicContact CD1-CE2 3.55Å; L520-F581 HydrophobicContact CD1-CG 4.21Å; L520-F581 HydrophobicContact CD1-CZ 3.62Å; A579-F581 HydrophobicContact CB-CD2 4.41Å; A579-F581 HydrophobicContact CB-CE2 3.82Å; F581-L583 VanDerWaalsContact C-N 3.35Å; F581-T601 PolarHBondContact N-O 3.29Å; F581-T601 PolarHBondContact O-N 3.15Å; F581-V603 HydrophobicContact CD2-CG2 3.5Å; F581-V603 VanDerWaalsContact CD2-CG2 3.5Å; F581-V603 HydrophobicContact CE2-CG2 3.47Å; F581-V603 VanDerWaalsContact CE2-CG2 3.47Å; F581-L605 HydrophobicContact CE2-CD1 4.04Å; F581-L605 HydrophobicContact CE2-CD2 4.27Å; F581-L605 HydrophobicContact CE2-CG 4.37Å; F581-L605 HydrophobicContact CZ-CD1 4.08Å; F581-T728 HydrophobicContact CB-CG2 4.05Å
582G94.4Very high91.7Very high10 Ų1013.8 Ų13.810%0.1037%0.071CC..EExtended strand (participates in β ladder)trans59.842.8-174.900000112.1T516 I518 H584 N727T516-G582 PolarHBondContact O-N 3.4Å; I518-G582 PolarHBondContact O-N 2.94Å; G582-H584 PolarHBondContact O-N 3.07Å; G582-N727 PolarHBondContact O-ND2 2.86Å
583L95.4Very high91.7Very high11 Ų1114 Ų146%0.0587%0.072CC..EExtended strand (participates in β ladder)trans-66.5122176.5179.664.6000110.7V367 F515 T516 L568 F581 I585 S599 A600V367-L583 HydrophobicContact CG1-CD2 4.38Å; V367-L583 HydrophobicContact CG2-CD2 4Å; F515-L583 HydrophobicContact CD2-CD2 4.38Å; T516-L583 VanDerWaalsContact O-CB 3.24Å; T516-L583 WeakPolarHBondContact O-CB 3.43Å; T516-L583 PolarHBondContact O-N 2.84Å; L568-L583 HydrophobicContact CD1-CD1 3.68Å; F581-L583 VanDerWaalsContact C-N 3.35Å; L583-I585 HydrophobicContact CD1-CG1 4.08Å; L583-I585 HydrophobicContact CD2-CD1 4.13Å; L583-I585 HydrophobicContact CD2-CG1 4.35Å; L583-I585 HydrophobicContact CG-CD1 4.4Å; L583-I585 HydrophobicContact CG-CG1 4.07Å; L583-S599 WeakPolarHBondContact CA-O 3.25Å; L583-A600 HydrophobicContact CB-CB 4.28Å; L583-A600 HydrophobicContact CD1-CB 3.92Å
584H93.1Very high91.9Very high55 Ų5512.6 Ų12.626%0.2557%0.066SC..EExtended strand (participates in β ladder)trans-123.6120.4173.3-176.8-103.6000109.3G582 A598 S599G582-H584 PolarHBondContact O-N 3.07Å; H584-A598 CarbonylContact O-C 3.52Å; H584-A598 VanDerWaalsContact O-CA 3.3Å; H584-A598 WeakPolarHBondContact O-CA 3.47Å; H584-S599 PolarHBondContact N-O 2.93Å; H584-S599 PolarHBondContact O-N 2.89Å
585I93.5Very high92.2Very high40 Ų4012.5 Ų12.521%0.2057%0.065CC..EExtended strand (participates in β ladder)trans-116.2115.6178.3-51.7176.5000108.9L564 L583 L597 A598L564-I585 HydrophobicContact CD1-CG2 4.08Å; L583-I585 HydrophobicContact CD1-CG1 4.08Å; L583-I585 HydrophobicContact CD2-CD1 4.13Å; L583-I585 HydrophobicContact CD2-CG1 4.35Å; L583-I585 HydrophobicContact CG-CD1 4.4Å; L583-I585 HydrophobicContact CG-CG1 4.07Å; I585-L597 WeakPolarHBondContact CA-O 3.47Å; I585-A598 HydrophobicContact CB-CB 4.45Å; I585-A598 HydrophobicContact CG1-CB 3.91Å; I585-A598 HydrophobicContact CG2-CB 4.33Å
586Q92.7Very high92.5Very high22 Ų2211.9 Ų11.910%0.1036%0.063CC..EExtended strand (participates in β ladder)trans-112.1134176.3-166.5-179.15.700110.4G596 L597 V796Q586-G596 WeakPolarHBondContact O-CA 3.28Å; Q586-L597 PolarHBondContact N-O 3.15Å; Q586-L597 PolarHBondContact O-N 2.88Å; Q586-V796 HydrophobicContact CG-CG2 4.31Å; Q586-V796 PolarHBondContact NE2-O 3.12Å
587I93.8Very high92.7Very high1 Ų111.6 Ų11.61%0.0056%0.061CC..EExtended strand (participates in β ladder)trans-119.7126.6170.8-58-175.6000107.3R371 S437 I444 L557 L595R371-I587 VanDerWaalsContact NE-CD1 3.32Å; S437-I587 WeakPolarHBondContact CB-O 3.46Å; I444-I587 HydrophobicContact CD1-CG2 4.38Å; L557-I587 HydrophobicContact CD2-CD1 3.72Å; L557-I587 HydrophobicContact CD2-CG2 4.04Å; I587-L595 CarbonylContact C-O 3.47Å; I587-L595 VanDerWaalsContact CA-O 3.28Å; I587-L595 WeakPolarHBondContact CA-O 3.45Å
588S93.2Very high92.9Very high9 Ų911.6 Ų11.66%0.0636%0.061CC..EExtended strand (participates in β ladder)trans-116.2135.3175.3-175.20000109.8S437 L595 A797 V798S437-S588 WeakPolarHBondContact OG-CA 3.07Å; S588-L595 PolarHBondContact N-O 2.98Å; S588-L595 PolarHBondContact O-N 2.92Å; S588-A797 WeakPolarHBondContact OG-CA 3.44Å; S588-V798 PolarHBondContact OG-N 2.85Å
589V92.3Very high93Very high3 Ų311.7 Ų11.72%0.0186%0.062CC..EExtended strand (participates in β ladder)trans-98.7135.4175.3-169.50000109.9S437 C439 I444 I553 L594S437-V589 PolarHBondContact OG-N 3.48Å; C439-V589 HydrophobicContact CB-CB 3.95Å; C439-V589 HydrophobicContact CB-CG1 3.76Å; I444-V589 HydrophobicContact CD1-CG2 3.08Å; I444-V589 HydrophobicContact CG1-CG2 3.55Å; I553-V589 HydrophobicContact CD1-CG1 3.72Å; I553-V589 HydrophobicContact CG1-CG1 4.47Å; V589-L594 HydrophobicContact CB-CD2 4.12Å; V589-L594 HydrophobicContact CG1-CD2 3.98Å; V589-L594 HydrophobicContact CG2-CD2 3.74Å
590G90.7Very high93.1Very high2 Ų211.7 Ų11.72%0.0216%0.062CC..  trans-122.2-179.7158.300000110.8N592 M593G590-N592 PolarHBondContact O-N 2.81Å; G590-M593 CarbonylContact C-O 3.58Å; G590-M593 PolarHBondContact N-O 2.99Å
591E87.3Confident93.1Very high43 Ų4311.7 Ų11.720%0.2016%0.062CC..SBendtrans-62.1-45.7-176.9-63-176.9-146.700112.2K543 E801K543-E591 IonicContact NZ-OE2 3.06Å; K543-E591 PolarHBondContact NZ-OE2 2.83Å; E591-E801 HydrophobicContact CB-CG 4.02Å; E591-E801 HydrophobicContact CG-CG 4.12Å; E591-E801 WeakPolarHBondContact OE2-CG 3.25Å; E591-E801 VanDerWaalsContact OE2-OE1 3.05Å
592N88.5Confident93Very high39 Ų3911.7 Ų11.721%0.2096%0.062CC..SBendtrans-113.80.3-173.4-60-23.3000113.7K541 K543 G590 E801K541-N592 PolarHBondContact N-O 2.85Å; K541-N592 CarbonylContact O-C 3.59Å; K541-N592 VanDerWaalsContact O-O 3.05Å; K543-N592 VanDerWaalsContact CB-OD1 3.31Å; K543-N592 WeakPolarHBondContact CB-OD1 3.45Å; G590-N592 PolarHBondContact O-N 2.81Å; N592-E801 PolarHBondContact ND2-OE2 2.99Å
593M90Very high93Very high5 Ų511.2 Ų11.23%0.0256%0.057CC..EExtended strand (participates in β ladder)trans-149.9157.3-177.573.6-172.697.500113R539 G590 L752 V798 E801 I804R539-M593 CarbonylContact O-C 3.55Å; R539-M593 WeakPolarHBondContact O-CA 3.22Å; G590-M593 CarbonylContact C-O 3.58Å; G590-M593 PolarHBondContact N-O 2.99Å; M593-L752 HydrophobicContact CE-CD1 3.57Å; M593-L752 HydrophobicContact SD-CD1 4.03Å; M593-V798 HydrophobicContact CE-CG1 4.08Å; M593-V798 HydrophobicContact CG-CG1 4.1Å; M593-V798 HydrophobicContact CG-CG2 4.21Å; M593-V798 HydrophobicContact SD-CG1 4.24Å; M593-V798 HydrophobicContact SD-CG2 4.46Å; M593-E801 WeakPolarHBondContact CE-O 3.48Å; M593-I804 HydrophobicContact SD-CD1 4.21Å; M593-I804 HydrophobicContact SD-CG1 4.06Å
594L91.9Very high93Very high0 Ų011.2 Ų11.20%06%0.056CC..EExtended strand (participates in β ladder)trans-121.2128.4172-75.1164000108.8C538 R539 K541 I553 L556 M560 V589C538-L594 CarbonylContact C-O 3.57Å; C538-L594 WeakPolarHBondContact CA-O 3.32Å; R539-L594 PolarHBondContact N-O 2.87Å; R539-L594 PolarHBondContact O-N 3.29Å; K541-L594 HydrophobicContact CD-CD1 4.35Å; K541-L594 HydrophobicContact CD-CG 4.49Å; I553-L594 HydrophobicContact CG1-CD2 4.44Å; I553-L594 HydrophobicContact CG2-CD2 4.42Å; L556-L594 HydrophobicContact CB-CD1 4.03Å; L556-L594 HydrophobicContact CD1-CD1 3.75Å; M560-L594 HydrophobicContact CE-CB 3.95Å; M560-L594 HydrophobicContact SD-CB 3.64Å; M560-L594 HydrophobicContact SD-CD1 3.94Å; M560-L594 HydrophobicContact SD-CG 4.33Å; V589-L594 HydrophobicContact CB-CD2 4.12Å; V589-L594 HydrophobicContact CG1-CD2 3.98Å; V589-L594 HydrophobicContact CG2-CD2 3.74Å
595L93.6Very high92.9Very high0 Ų08.7 Ų8.70%04%0.044CC..EExtended strand (participates in β ladder)trans-106.5134.9174.9-63.9-178.9000109.9L537 C538 I587 S588 F766 V798 I804L537-L595 CarbonylContact O-C 3.46Å; L537-L595 WeakPolarHBondContact O-CA 3.16Å; C538-L595 HydrophobicContact CB-CD2 3.55Å; C538-L595 WeakPolarHBondContact SG-CD2 3.39Å; I587-L595 CarbonylContact C-O 3.47Å; I587-L595 VanDerWaalsContact CA-O 3.28Å; I587-L595 WeakPolarHBondContact CA-O 3.45Å; S588-L595 PolarHBondContact N-O 2.98Å; S588-L595 PolarHBondContact O-N 2.92Å; L595-F766 HydrophobicContact CD2-CD2 4.48Å; L595-V798 HydrophobicContact CD1-CG2 3.35Å; L595-V798 HydrophobicContact CG-CG2 3.68Å; L595-I804 HydrophobicContact CD1-CG1 4.33Å; L595-I804 HydrophobicContact CD1-CG2 3.91Å; L595-I804 HydrophobicContact CD2-CD1 4.32Å
596G93.6Very high92.7Very high0 Ų08.9 Ų8.90%05%0.045CC..EExtended strand (participates in β ladder)trans-125128.4171.900000110L537 Q586L537-G596 PolarHBondContact N-O 2.94Å; L537-G596 PolarHBondContact O-N 2.86Å; Q586-G596 WeakPolarHBondContact O-CA 3.28Å
597L94.1Very high92.4Very high2 Ų28.1 Ų8.11%0.014%0.042CC..EExtended strand (participates in β ladder)trans-132.2124.5174.3178.267.5000109R536 I585 Q586 F794 V796R536-L597 HydrophobicContact CG-CD1 3.67Å; I585-L597 WeakPolarHBondContact CA-O 3.47Å; Q586-L597 PolarHBondContact N-O 3.15Å; Q586-L597 PolarHBondContact O-N 2.88Å; L597-F794 HydrophobicContact CD2-CB 3.36Å; L597-F794 HydrophobicContact CD2-CG 4.18Å; L597-V796 HydrophobicContact CB-CG1 4.29Å; L597-V796 HydrophobicContact CB-CG2 4.11Å; L597-V796 HydrophobicContact CD2-CG1 3.65Å
598A94.6Very high92.2Very high0 Ų08 Ų80%04%0.042CC..EExtended strand (participates in β ladder)trans-118.5131.4169.500000109.9Q534 A535 L568 H584 I585Q534-A598 CarbonylContact C-O 3.58Å; Q534-A598 WeakPolarHBondContact CA-O 3.48Å; A535-A598 HydrophobicContact CB-CB 4.28Å; A535-A598 PolarHBondContact N-O 2.85Å; A535-A598 PolarHBondContact O-N 2.83Å; L568-A598 HydrophobicContact CD1-CB 3.8Å; L568-A598 HydrophobicContact CD2-CB 4.23Å; L568-A598 HydrophobicContact CG-CB 4.21Å; H584-A598 CarbonylContact O-C 3.52Å; H584-A598 VanDerWaalsContact O-CA 3.3Å; H584-A598 WeakPolarHBondContact O-CA 3.47Å; I585-A598 HydrophobicContact CB-CB 4.45Å; I585-A598 HydrophobicContact CG1-CB 3.91Å; I585-A598 HydrophobicContact CG2-CB 4.33Å
599S94.8Very high92Very high3 Ų38.1 Ų8.12%0.0214%0.042CC..EExtended strand (participates in β ladder)trans-132137.7-180-58.60000110.6Q534 L583 H584Q534-S599 PolarHBondContact NE2-OG 3.22Å; L583-S599 WeakPolarHBondContact CA-O 3.25Å; H584-S599 PolarHBondContact N-O 2.93Å; H584-S599 PolarHBondContact O-N 2.89Å
600A95.8Very high91.7Very high0 Ų010.6 Ų10.60%06%0.063CC..EExtended strand (participates in β ladder)trans-155.7168.9178.700000111.5I533 L580 L583I533-A600 PolarHBondContact N-O 2.89Å; I533-A600 PolarHBondContact O-N 3.08Å; L580-A600 HydrophobicContact CB-CB 4.04Å; L580-A600 HydrophobicContact CD1-CB 4.22Å; L580-A600 HydrophobicContact CD2-CB 3.94Å; L580-A600 HydrophobicContact CG-CB 4.3Å; L583-A600 HydrophobicContact CB-CB 4.28Å; L583-A600 HydrophobicContact CD1-CB 3.92Å
601T95.8Very high91.4Very high0 Ų011.9 Ų11.90%07%0.071CC..EExtended strand (participates in β ladder)trans-100.5116.4170.5-52.30000109.8C531 L580 F581 V603 C726 N727 T728 P732C531-T601 CarbonylContact O-C 3.56Å; C531-T601 WeakPolarHBondContact O-CA 3.3Å; L580-T601 WeakPolarHBondContact CA-O 3.34Å; F581-T601 PolarHBondContact N-O 3.29Å; F581-T601 PolarHBondContact O-N 3.15Å; T601-V603 HydrophobicContact CG2-CG1 4.34Å; T601-C726 HydrophobicContact CG2-CB 3.72Å; T601-N727 PolarHBondContact OG1-N 2.89Å; T601-T728 PolarHBondContact OG1-N 2.86Å; T601-T728 VanDerWaalsContact OG1-N 3.1Å; T601-P732 HydrophobicContact CG2-CG 4.07Å
602G94.9Very high90.8Very high0 Ų011.3 Ų11.30%08%0.077CC..EExtended strand (participates in β ladder)trans-75.1136.7169.900000111.8G530 C531 A579G530-G602 WeakPolarHBondContact CA-O 3.48Å; C531-G602 PolarHBondContact N-O 3.16Å; C531-G602 PolarHBondContact O-N 3.39Å; A579-G602 WeakPolarHBondContact O-CA 3.24Å
603V94.4Very high90Very high0 Ų011.3 Ų11.30%09%0.086CC..EExtended strand (participates in β ladder)trans-140.5157.5173.8-57.90000111V526 M577 N578 A579 F581 T601 L605 P732V526-V603 HydrophobicContact CG1-CB 4.21Å; V526-V603 HydrophobicContact CG2-CB 4.49Å; M577-V603 WeakPolarHBondContact CB-O 3.41Å; N578-V603 PolarHBondContact N-O 3.27Å; N578-V603 VanDerWaalsContact N-O 3.15Å; N578-V603 PolarHBondContact OD1-O 2.76Å; A579-V603 HydrophobicContact CB-CG2 3.87Å; A579-V603 PolarHBondContact N-O 3.15Å; A579-V603 PolarHBondContact O-N 3.42Å; F581-V603 HydrophobicContact CD2-CG2 3.5Å; F581-V603 VanDerWaalsContact CD2-CG2 3.5Å; F581-V603 HydrophobicContact CE2-CG2 3.47Å; F581-V603 VanDerWaalsContact CE2-CG2 3.47Å; T601-V603 HydrophobicContact CG2-CG1 4.34Å; V603-L605 HydrophobicContact CG2-CD2 4.2Å; V603-L605 HydrophobicContact CG2-CG 4.17Å; V603-P732 HydrophobicContact CG1-CB 3.68Å; V603-P732 HydrophobicContact CG1-CG 3.56Å
604Y93.7Very high89.4Confident11 Ų1111 Ų114%0.0439%0.085CC..EExtended strand (participates in β ladder)trans-102.5107.2169.3-171.5-82.9000109.7V526 T527 S576 N578 M606 A610 I650 P652V526-Y604 WeakPolarHBondContact CA-O 3.3Å; T527-Y604 PolarHBondContact N-O 3.36Å; S576-Y604 WeakPolarHBondContact O-CD2 3.31Å; N578-Y604 WeakPolarHBondContact OD1-CA 3.41Å; Y604-M606 HydrophobicContact CD1-SD 4.33Å; Y604-M606 HydrophobicContact CE1-SD 3.98Å; Y604-A610 HydrophobicContact CE2-CB 4.44Å; Y604-I650 HydrophobicContact CD1-CG2 4.4Å; Y604-I650 HydrophobicContact CD2-CG2 3.77Å; Y604-I650 HydrophobicContact CE2-CG2 4.25Å; Y604-I650 HydrophobicContact CG-CG2 3.84Å; Y604-P652 HydrophobicContact CE1-CB 4.14Å
605L91.9Very high88.5Confident2 Ų214.9 Ų14.91%0.0110%0.103CC..EExtended strand (participates in β ladder)trans-84.5130.9173.6-66179.7000110.4F483 L514 L520 A524 V526 N578 A579 F581 V603 A607 L608F483-L605 HydrophobicContact CE2-CD1 4.38Å; F483-L605 HydrophobicContact CZ-CD1 4.26Å; F483-L605 HydrophobicContact CZ-CD2 4.39Å; L514-L605 HydrophobicContact CD2-CD1 4.29Å; L520-L605 HydrophobicContact CD1-CD2 4.29Å; A524-L605 HydrophobicContact CB-CD2 4.18Å; V526-L605 HydrophobicContact CG2-CD2 3.99Å; N578-L605 PolarHBondContact ND2-O 2.68Å; N578-L605 PolarHBondContact OD1-N 3.49Å; A579-L605 HydrophobicContact CB-CD1 3.58Å; A579-L605 HydrophobicContact CB-CG 3.84Å; F581-L605 HydrophobicContact CE2-CD1 4.04Å; F581-L605 HydrophobicContact CE2-CD2 4.27Å; F581-L605 HydrophobicContact CE2-CG 4.37Å; F581-L605 HydrophobicContact CZ-CD1 4.08Å; V603-L605 HydrophobicContact CG2-CD2 4.2Å; V603-L605 HydrophobicContact CG2-CG 4.17Å; L605-A607 PolarHBondContact O-N 2.64Å; L605-L608 HydrophobicContact CB-CB 4.4Å; L605-L608 HydrophobicContact CB-CD1 4.19Å; L605-L608 HydrophobicContact CB-CG 4.01Å; L605-L608 HydrophobicContact CD1-CD1 3.85Å; L605-L608 HydrophobicContact CD1-CG 4.21Å; L605-L608 PolarHBondContact O-N 3.37Å
606M88.6Confident87.4Confident45 Ų4515.8 Ų15.822%0.22211%0.107CC..THydrogen-bonded Turntrans-68-21.5178.2-74.3-58-64.300114.2Y503 A525 T527 Y604 P653Y503-M606 WeakPolarHBondContact CB-O 2.82Å; A525-M606 HydrophobicContact CB-CB 4.11Å; A525-M606 HydrophobicContact CB-CG 4.4Å; A525-M606 PolarHBondContact O-N 2.82Å; T527-M606 VanDerWaalsContact OG1-CG 3.28Å; T527-M606 WeakPolarHBondContact OG1-CG 3.47Å; T527-M606 PolarHBondContact OG1-SD 2.95Å; Y604-M606 HydrophobicContact CD1-SD 4.33Å; Y604-M606 HydrophobicContact CE1-SD 3.98Å; M606-P653 VanDerWaalsContact CE-CD 3.47Å; M606-P653 HydrophobicContact CE-CG 3.55Å
607A87.8Confident86.1Confident5 Ų517.6 Ų17.64%0.04112%0.122CC..THydrogen-bonded Turntrans-78.1-25.5179.800000113.2C481 C484 Y503 N504 L605C481-A607 HydrophobicContact CB-CB 3.76Å; C484-A607 HydrophobicContact CB-CB 4.02Å; Y503-A607 PolarHBondContact N-O 2.87Å; N504-A607 HydrophobicContact CB-CB 4.48Å; L605-A607 PolarHBondContact O-N 2.64Å
608L89.7Confident84.5Confident0 Ų019.2 Ų19.20%014%0.139CC..SBendtrans-94.2154.3-175.7-59.7-172.3000110.8C484 V510 P511 L514 N578 A579 L605C484-L608 HydrophobicContact CB-CD2 4.16Å; V510-L608 HydrophobicContact CB-CD2 3.72Å; V510-L608 HydrophobicContact CG1-CD2 4.28Å; V510-L608 HydrophobicContact CG2-CD2 4.13Å; P511-L608 HydrophobicContact CG-CD2 4.3Å; P511-L608 WeakPolarHBondContact O-CD2 3.46Å; L514-L608 HydrophobicContact CB-CD1 3.8Å; N578-L608 HydrophobicContact CB-CB 4.38Å; N578-L608 WeakPolarHBondContact ND2-CB 3.17Å; N578-L608 PolarHBondContact ND2-O 3.42Å; N578-L608 WeakPolarHBondContact O-CD1 3.26Å; A579-L608 HydrophobicContact CB-CD1 4.19Å; L605-L608 HydrophobicContact CB-CB 4.4Å; L605-L608 HydrophobicContact CB-CD1 4.19Å; L605-L608 HydrophobicContact CB-CG 4.01Å; L605-L608 HydrophobicContact CD1-CD1 3.85Å; L605-L608 HydrophobicContact CD1-CG 4.21Å; L605-L608 PolarHBondContact O-N 3.37Å
609P88.2Confident82.6Confident10 Ų1025 Ų257%0.06516%0.164CC..PPolyproline II helixtrans-63.7160.1175.829.5-37000111.7T500 Y503 D512 N578T500-P609 HydrophobicContact CG2-CG 4.46Å; T500-P609 WeakPolarHBondContact OG1-CD 3.37Å; T500-P609 WeakPolarHBondContact OG1-CG 3.38Å; Y503-P609 HydrophobicContact CE1-CB 4.33Å; D512-P609 HydrophobicContact CB-CG 4.31Å; N578-P609 PolarHBondContact ND2-O 2.7Å
610A85.7Confident80.6Confident56 Ų5629.5 Ų29.546%0.46319%0.192SC..PPolyproline II helixtrans-66.1141.5171.400000109.9Y604 G612Y604-A610 HydrophobicContact CE2-CB 4.44Å; A610-G612 PolarHBondContact O-N 2.79Å
611P83.9Confident78.4Confident29 Ų2935.3 Ų35.319%0.18823%0.232CC..PPolyproline II helixtrans-62.2134.1179.726.2-33.6000110.5K573 M577K573-P611 HydrophobicContact CG-CB 4.22Å; M577-P611 WeakPolarHBondContact O-CB 3.33Å; M577-P611 WeakPolarHBondContact O-CG 3.4Å
612G74.6Confident76.5Confident31 Ų3138 Ų3832%0.3226%0.261SS..PPolyproline II helixtrans-61.2154.9173.600000112.3A610 D695A610-G612 PolarHBondContact O-N 2.79Å; G612-D695 WeakPolarHBondContact CA-O 3.47Å
613G73.1Confident74.9Confident38 Ų3842.9 Ų42.939%0.39229%0.287SS..PPolyproline II helixtrans-64.8151.6175.300000112F697G613-F697 PolarHBondContact O-N 2.87Å
614I77.4Confident73.4Confident0 Ų049.1 Ų49.10%032%0.319CS..EExtended strand (participates in β ladder)trans-87.6121.7169.8-59.1175000107.1K573 L574 Q634 I637 L699K573-I614 HydrophobicContact CB-CD1 3.96Å; K573-I614 HydrophobicContact CB-CG1 3.99Å; K573-I614 HydrophobicContact CD-CG1 4.34Å; L574-I614 HydrophobicContact CD1-CD1 4.39Å; L574-I614 HydrophobicContact CD2-CD1 3.75Å; L574-I614 HydrophobicContact CG-CD1 3.58Å; I614-Q634 PolarHBondContact O-NE2 3.29Å; I614-Q634 PolarHBondContact O-OE1 3Å; I614-I637 HydrophobicContact CB-CG2 4.17Å; I614-I637 HydrophobicContact CG2-CD1 4.42Å; I614-L699 HydrophobicContact CG2-CD1 3.39Å; I614-L699 HydrophobicContact CG2-CG 4.14Å
615Q71.8Confident72Confident81 Ų8154.6 Ų54.638%0.37935%0.349SS..EExtended strand (participates in β ladder)trans-106.9145.4170.8-78.8178.613.200109.2A696 F697 V698 L699Q615-A696 HydrophobicContact CB-CB 4.07Å; Q615-A696 HydrophobicContact CG-CB 3.52Å; Q615-F697 PolarHBondContact N-O 3.13Å; Q615-V698 HydrophobicContact CB-CG2 4.48Å; Q615-V698 CarbonylContact O-C 3.58Å; Q615-V698 VanDerWaalsContact O-CA 3.28Å; Q615-V698 WeakPolarHBondContact O-CA 3.46Å; Q615-L699 PolarHBondContact O-N 2.84Å
616I71.4Confident70.8Confident19 Ų1957.3 Ų57.310%0.09736%0.364CS..EExtended strand (participates in β ladder)trans-106.8129.5174.5-65.4173.5000108.1I630 I633 I637 L699 I701I616-I630 HydrophobicContact CB-CG2 4.07Å; I616-I630 HydrophobicContact CG2-CG1 4.43Å; I616-I630 HydrophobicContact CG2-CG2 3.76Å; I616-I633 HydrophobicContact CD1-CB 3.91Å; I616-I633 HydrophobicContact CD1-CG2 3.31Å; I616-I637 HydrophobicContact CD1-CD1 3.62Å; I616-I637 HydrophobicContact CG1-CD1 4.24Å; I616-L699 WeakPolarHBondContact CA-O 3.18Å; I616-L699 HydrophobicContact CG1-CB 4.44Å; I616-I701 HydrophobicContact CG2-CD1 3.21Å; I616-I701 HydrophobicContact CG2-CG1 3.78Å
617A65.1Low70.1Confident38 Ų3860.1 Ų60.131%0.31438%0.377SS..EExtended strand (participates in β ladder)trans-113.8131.916700000110.2V698 L699 E700 I701A617-V698 HydrophobicContact CB-CG1 3.16Å; A617-L699 PolarHBondContact N-O 3.45Å; A617-E700 WeakPolarHBondContact O-CA 3.24Å; A617-I701 PolarHBondContact O-N 3.32Å
618G60.8Low69.5Low36 Ų3665.8 Ų65.837%0.37140%0.402SS..EExtended strand (participates in β ladder)trans-95.5139.5170.100000110.6T620G618-T620 VanDerWaalsContact C-N 3.29Å; G618-T620 PolarHBondContact O-N 3.43Å
619K55.5Low68.6Low121 Ų12170.1 Ų70.153%0.52642%0.422SS..SBendtrans-78.1-3.8178.1-79.1-175.3179.4143.50114.8E700 D702K619-E700 WeakPolarHBondContact CE-OE2 3.33Å; K619-E700 IonicContact NZ-OE2 2.72Å; K619-E700 PolarHBondContact NZ-OE2 3.38Å; K619-D702 VanDerWaalsContact CD-OD1 3.25Å; K619-D702 WeakPolarHBondContact CD-OD1 3.22Å; K619-D702 VanDerWaalsContact CE-OD1 3.3Å; K619-D702 WeakPolarHBondContact CE-OD1 3.41Å; K619-D702 IonicContact NZ-OD1 2.69Å; K619-D702 PolarHBondContact NZ-OD1 3Å; K619-D702 IonicContact NZ-OD2 3.35Å; K619-D702 PolarHBondContact NZ-OD2 3Å
620T53.1Low68.1Low98 Ų9871.6 Ų71.660%0.60143%0.429SS*.  trans-117.290.6-176.838.20000112.3G618 G622G618-T620 VanDerWaalsContact C-N 3.29Å; G618-T620 PolarHBondContact O-N 3.43Å; T620-G622 PolarHBondContact O-N 3.33Å; T620-G622 VanDerWaalsContact O-N 3.13Å
621S49.6Very low67.8Low121 Ų12175.2 Ų75.285%0.84644%0.436SS*.THydrogen-bonded Turntrans-73.492.9169.855.40000110.1
622G56Low67.6Low58 Ų5876.7 Ų76.760%0.59845%0.447SS*.THydrogen-bonded Turntrans179.5-27.6174.600000117.6T620T620-G622 PolarHBondContact O-N 3.33Å; T620-G622 VanDerWaalsContact O-N 3.13Å
623D59.7Low67.7Low101 Ų10176.5 Ų76.554%0.5444%0.439SS..  trans-103.9111.1-175.1-72.9-29000112.2N625 N626 E627D623-N625 PolarHBondContact O-N 3.02Å; D623-N626 HydrophobicContact CB-CB 4.21Å; D623-N626 PolarHBondContact O-N 3.22Å; D623-E627 PolarHBondContact O-N 2.8Å
624L63.5Low68.2Low132 Ų13276.6 Ų76.669%0.69143%0.429SS*.Hα-helixtrans-52.5-30.3177.1-95.482.5000113.3Q628L624-Q628 WeakPolarHBondContact O-CG 3.41Å; L624-Q628 PolarHBondContact O-N 3.38Å
625N65.4Low68.5Low126 Ų12683.2 Ų83.267%0.67446%0.458SS*.Hα-helixtrans-72.5-35.5-179.7-156.333.5000112D623 H629D623-N625 PolarHBondContact O-N 3.02Å; N625-H629 WeakPolarHBondContact O-CB 3.38Å; N625-H629 PolarHBondContact O-N 2.88Å; N625-H629 VanDerWaalsContact O-N 3.08Å
626N66.5Low69Low58 Ų5885.5 Ų85.531%0.3146%0.463SS..Hα-helixtrans-72.8-38176.6-76.5-11.8000111.4D623 H629 I630D623-N626 HydrophobicContact CB-CB 4.21Å; D623-N626 PolarHBondContact O-N 3.22Å; N626-H629 PolarHBondContact O-N 2.85Å; N626-I630 VanDerWaalsContact O-CG1 3.27Å; N626-I630 WeakPolarHBondContact O-CG1 3.29Å; N626-I630 PolarHBondContact O-N 2.85Å
627E73.4Confident69.4Low105 Ų10585.1 Ų85.149%0.49146%0.461SS..Hα-helixtrans-64.1-44.3175.4-71.2-169.5164.800112.4D623 H629 I630 Q631D623-E627 PolarHBondContact O-N 2.8Å; E627-H629 VanDerWaalsContact C-N 3.27Å; E627-H629 PolarHBondContact O-N 3.43Å; E627-I630 PolarHBondContact O-N 3.05Å; E627-Q631 WeakPolarHBondContact O-CG 3.37Å; E627-Q631 PolarHBondContact O-N 3.1Å
628Q75.1Confident70.4Confident124 Ų12487 Ų8758%0.57947%0.466SS*.Hα-helixtrans-61.9-37.7174.1-72.8179.84.600111.5L624 S632L624-Q628 WeakPolarHBondContact O-CG 3.41Å; L624-Q628 PolarHBondContact O-N 3.38Å; Q628-S632 WeakPolarHBondContact O-CB 3.48Å; Q628-S632 PolarHBondContact O-N 3.31Å
629H71.8Confident71.7Confident91 Ų9189.7 Ų89.742%0.42147%0.471SS..Hα-helixtrans-66.9-46.6176.9-16461.4000112.2N625 N626 E627 Q631 S632 I633 V707N625-H629 WeakPolarHBondContact O-CB 3.38Å; N625-H629 PolarHBondContact O-N 2.88Å; N625-H629 VanDerWaalsContact O-N 3.08Å; N626-H629 PolarHBondContact O-N 2.85Å; E627-H629 VanDerWaalsContact C-N 3.27Å; E627-H629 PolarHBondContact O-N 3.43Å; H629-Q631 VanDerWaalsContact C-N 3.32Å; H629-Q631 PolarHBondContact O-N 2.84Å; H629-S632 WeakPolarHBondContact O-CB 3.3Å; H629-S632 PolarHBondContact O-N 3.18Å; H629-S632 VanDerWaalsContact O-N 3.09Å; H629-S632 PolarHBondContact O-OG 3.38Å; H629-I633 WeakPolarHBondContact O-CG1 3.42Å; H629-I633 PolarHBondContact O-N 3.05Å; H629-V707 WeakPolarHBondContact NE2-CG1 3.44Å
630I75.6Confident73.1Confident40 Ų4085.1 Ų85.121%0.20545%0.454CS..Hα-helixtrans-58.6-43.5175.3-69.5164.9000110.9I616 N626 E627 S632 I633 Q634 I701I616-I630 HydrophobicContact CB-CG2 4.07Å; I616-I630 HydrophobicContact CG2-CG1 4.43Å; I616-I630 HydrophobicContact CG2-CG2 3.76Å; N626-I630 VanDerWaalsContact O-CG1 3.27Å; N626-I630 WeakPolarHBondContact O-CG1 3.29Å; N626-I630 PolarHBondContact O-N 2.85Å; E627-I630 PolarHBondContact O-N 3.05Å; I630-S632 VanDerWaalsContact C-N 3.33Å; I630-S632 PolarHBondContact O-N 3.04Å; I630-I633 PolarHBondContact O-N 2.93Å; I630-Q634 WeakPolarHBondContact O-CB 3.27Å; I630-Q634 PolarHBondContact O-N 2.83Å; I630-I701 HydrophobicContact CG1-CD1 4.48Å
631Q79.9Confident74.7Confident133 Ų13381.5 Ų81.562%0.62143%0.431SS*.Hα-helixtrans-63.2-38.4175.5-72177.114.100112.4E627 H629 I633 Q634 K635E627-Q631 WeakPolarHBondContact O-CG 3.37Å; E627-Q631 PolarHBondContact O-N 3.1Å; H629-Q631 VanDerWaalsContact C-N 3.32Å; H629-Q631 PolarHBondContact O-N 2.84Å; Q631-I633 VanDerWaalsContact C-N 3.34Å; Q631-Q634 PolarHBondContact O-N 2.94Å; Q631-K635 WeakPolarHBondContact O-CB 3.44Å; Q631-K635 PolarHBondContact O-N 2.89Å
632S80.9Confident76.5Confident59 Ų5978.6 Ų78.641%0.41341%0.414SS..Hα-helixtrans-63.9-39.8176.681.40000112.2Q628 H629 I630 R636Q628-S632 WeakPolarHBondContact O-CB 3.48Å; Q628-S632 PolarHBondContact O-N 3.31Å; H629-S632 WeakPolarHBondContact O-CB 3.3Å; H629-S632 PolarHBondContact O-N 3.18Å; H629-S632 VanDerWaalsContact O-N 3.09Å; H629-S632 PolarHBondContact O-OG 3.38Å; I630-S632 VanDerWaalsContact C-N 3.33Å; I630-S632 PolarHBondContact O-N 3.04Å; S632-R636 WeakPolarHBondContact O-CB 3.4Å; S632-R636 PolarHBondContact O-N 2.83Å
633I76.9Confident78Confident27 Ų2782.2 Ų82.214%0.13841%0.413CS..Hα-helixtrans-69.5-45.2176.9-60.3161000109.9I616 H629 I630 Q631 K635 R636 I637 V707I616-I633 HydrophobicContact CD1-CB 3.91Å; I616-I633 HydrophobicContact CD1-CG2 3.31Å; H629-I633 WeakPolarHBondContact O-CG1 3.42Å; H629-I633 PolarHBondContact O-N 3.05Å; I630-I633 PolarHBondContact O-N 2.93Å; Q631-I633 VanDerWaalsContact C-N 3.34Å; I633-K635 VanDerWaalsContact C-N 3.3Å; I633-K635 PolarHBondContact O-N 3.06Å; I633-R636 WeakPolarHBondContact O-CB 3.24Å; I633-R636 PolarHBondContact O-N 2.69Å; I633-R636 VanDerWaalsContact O-N 3.12Å; I633-I637 HydrophobicContact CG2-CD1 4.01Å; I633-I637 HydrophobicContact CG2-CG1 4.43Å; I633-I637 WeakPolarHBondContact O-CG1 3.27Å; I633-I637 PolarHBondContact O-N 3.32Å; I633-V707 HydrophobicContact CD1-CG1 3.49Å; I633-V707 VanDerWaalsContact CD1-CG1 3.49Å
634Q82Confident79.3Confident40 Ų4077.8 Ų77.819%0.18739%0.389CS..Hα-helixtrans-57.9-43.3176.5-174.762.854.600111.8I614 I630 Q631 I637 N638I614-Q634 PolarHBondContact O-NE2 3.29Å; I614-Q634 PolarHBondContact O-OE1 3Å; I630-Q634 WeakPolarHBondContact O-CB 3.27Å; I630-Q634 PolarHBondContact O-N 2.83Å; Q631-Q634 PolarHBondContact O-N 2.94Å; Q634-I637 PolarHBondContact O-N 2.9Å; Q634-N638 PolarHBondContact NE2-OD1 2.82Å; Q634-N638 VanDerWaalsContact O-CG 3.29Å; Q634-N638 PolarHBondContact O-N 2.92Å; Q634-N638 PolarHBondContact O-ND2 3.22Å
635K84.6Confident80.4Confident139 Ų13975.9 Ų75.960%0.60438%0.375SS*.Hα-helixtrans-60.9-47.9174.4-176.2-179.9177.5-177.90111Q631 I633 I637 N638 D639Q631-K635 WeakPolarHBondContact O-CB 3.44Å; Q631-K635 PolarHBondContact O-N 2.89Å; I633-K635 VanDerWaalsContact C-N 3.3Å; I633-K635 PolarHBondContact O-N 3.06Å; K635-I637 VanDerWaalsContact C-N 3.32Å; K635-I637 PolarHBondContact O-N 3.31Å; K635-N638 PolarHBondContact O-N 2.84Å; K635-D639 WeakPolarHBondContact O-CB 3.29Å; K635-D639 PolarHBondContact O-N 3.33Å
636R81.2Confident81.5Confident129 Ų12977.4 Ų77.449%0.48738%0.379SS..Hα-helixtrans-62.2-37.6179.2-170177.1-173.1-176.92.1112.9S632 I633 T640 H711S632-R636 WeakPolarHBondContact O-CB 3.4Å; S632-R636 PolarHBondContact O-N 2.83Å; I633-R636 WeakPolarHBondContact O-CB 3.24Å; I633-R636 PolarHBondContact O-N 2.69Å; I633-R636 VanDerWaalsContact O-N 3.12Å; R636-T640 WeakPolarHBondContact O-CB 3.29Å; R636-T640 PolarHBondContact O-N 3.29Å; R636-T640 PolarHBondContact O-OG1 2.63Å; R636-H711 PolarHBondContact NH1-CD2 3.15Å; R636-H711 PolarHBondContact NH1-NE2 3.04Å; R636-H711 PolarHBondContact NH2-NE2 2.9Å
637I81.6Confident82.4Confident11 Ų1177.5 Ų77.56%0.05638%0.379CS..Hα-helixtrans-61.4-50.1173.6-75172.4000110.1L574 I614 I616 I633 Q634 K635 D639 T640 I641L574-I637 HydrophobicContact CD2-CG1 4.41Å; L574-I637 HydrophobicContact CD2-CG2 3.83Å; I614-I637 HydrophobicContact CB-CG2 4.17Å; I614-I637 HydrophobicContact CG2-CD1 4.42Å; I616-I637 HydrophobicContact CD1-CD1 3.62Å; I616-I637 HydrophobicContact CG1-CD1 4.24Å; I633-I637 HydrophobicContact CG2-CD1 4.01Å; I633-I637 HydrophobicContact CG2-CG1 4.43Å; I633-I637 WeakPolarHBondContact O-CG1 3.27Å; I633-I637 PolarHBondContact O-N 3.32Å; Q634-I637 PolarHBondContact O-N 2.9Å; K635-I637 VanDerWaalsContact C-N 3.32Å; K635-I637 PolarHBondContact O-N 3.31Å; I637-D639 PolarHBondContact O-N 2.95Å; I637-T640 WeakPolarHBondContact O-CB 3.45Å; I637-T640 PolarHBondContact O-N 3.01Å; I637-I641 HydrophobicContact CG2-CD1 3.84Å; I637-I641 WeakPolarHBondContact O-CG1 3.31Å; I637-I641 PolarHBondContact O-N 2.98Å
638N86.3Confident83Confident79 Ų7973 Ų7342%0.42236%0.357SS..Hα-helixtrans-61.9-43178.9-69.4-21.9000111.9Q634 K635 T640 I641 A642Q634-N638 PolarHBondContact NE2-OD1 2.82Å; Q634-N638 VanDerWaalsContact O-CG 3.29Å; Q634-N638 PolarHBondContact O-N 2.92Å; Q634-N638 PolarHBondContact O-ND2 3.22Å; K635-N638 PolarHBondContact O-N 2.84Å; N638-T640 VanDerWaalsContact C-N 3.3Å; N638-T640 PolarHBondContact O-N 3.24Å; N638-I641 PolarHBondContact O-N 2.95Å; N638-A642 WeakPolarHBondContact O-CB 3.41Å; N638-A642 PolarHBondContact O-N 2.85Å
639D87.1Confident83.6Confident91 Ų9172 Ų7249%0.48735%0.353SS..Hα-helixtrans-61.9-39.5175.8-67.2-17.2000111.1K635 I637 A642 K643K635-D639 WeakPolarHBondContact O-CB 3.29Å; K635-D639 PolarHBondContact O-N 3.33Å; I637-D639 PolarHBondContact O-N 2.95Å; D639-A642 PolarHBondContact O-N 2.87Å; D639-K643 WeakPolarHBondContact O-CB 3.46Å; D639-K643 PolarHBondContact O-N 3.01Å
640T84.5Confident84.1Confident25 Ų2567.9 Ų67.915%0.15333%0.334CS..Hα-helixtrans-67.2-42.1176.6-58.50000111.5R636 I637 N638 K643 N644R636-T640 WeakPolarHBondContact O-CB 3.29Å; R636-T640 PolarHBondContact O-N 3.29Å; R636-T640 PolarHBondContact O-OG1 2.63Å; I637-T640 WeakPolarHBondContact O-CB 3.45Å; I637-T640 PolarHBondContact O-N 3.01Å; N638-T640 VanDerWaalsContact C-N 3.3Å; N638-T640 PolarHBondContact O-N 3.24Å; T640-K643 PolarHBondContact O-N 2.83Å; T640-N644 WeakPolarHBondContact O-CB 3.45Å; T640-N644 PolarHBondContact O-N 3.25Å; T640-N644 PolarHBondContact O-ND2 2.98Å
641I86.8Confident84.3Confident23 Ų2371.9 Ų71.912%0.11836%0.356CS..Hα-helixtrans-61.9-46.4175.3-70166.4000110.3L574 I637 N638 K643 N644 K645L574-I641 HydrophobicContact CD2-CD1 4.49Å; L574-I641 HydrophobicContact CD2-CG1 4.26Å; I637-I641 HydrophobicContact CG2-CD1 3.84Å; I637-I641 WeakPolarHBondContact O-CG1 3.31Å; I637-I641 PolarHBondContact O-N 2.98Å; N638-I641 PolarHBondContact O-N 2.95Å; I641-K643 PolarHBondContact O-N 2.88Å; I641-N644 PolarHBondContact O-N 2.88Å; I641-K645 WeakPolarHBondContact O-CG 3.21Å; I641-K645 PolarHBondContact O-N 3.05Å
642A87.7Confident83.9Confident60 Ų6068.2 Ų68.250%0.49634%0.344SS..Hα-helixtrans-60.2-46.5177.800000111.7N638 D639 N644 K645 E646N638-A642 WeakPolarHBondContact O-CB 3.41Å; N638-A642 PolarHBondContact O-N 2.85Å; D639-A642 PolarHBondContact O-N 2.87Å; A642-N644 VanDerWaalsContact C-N 3.34Å; A642-N644 PolarHBondContact O-N 2.97Å; A642-K645 PolarHBondContact O-N 2.78Å; A642-E646 PolarHBondContact O-N 3.42Å
643K87.4Confident83Confident133 Ų13369.5 Ų69.558%0.57835%0.351SS*.Hα-helixtrans-61-40.8175.3-175.5-179.5178.5-177.10112.5D639 T640 I641 E646 L647D639-K643 WeakPolarHBondContact O-CB 3.46Å; D639-K643 PolarHBondContact O-N 3.01Å; T640-K643 PolarHBondContact O-N 2.83Å; I641-K643 PolarHBondContact O-N 2.88Å; K643-E646 PolarHBondContact O-N 3.14Å; K643-L647 WeakPolarHBondContact O-CB 3.5Å; K643-L647 PolarHBondContact O-N 2.98Å
644N86.7Confident81.7Confident8 Ų877.2 Ų77.24%0.04339%0.386CS..Hα-helixtrans-68.6-38.8179.2-72.5-24.7000111.8L574 R575 T640 I641 A642 E646 L647 Y648L574-N644 PolarHBondContact O-ND2 3.03Å; R575-N644 PolarHBondContact NH1-ND2 2.82Å; T640-N644 WeakPolarHBondContact O-CB 3.45Å; T640-N644 PolarHBondContact O-N 3.25Å; T640-N644 PolarHBondContact O-ND2 2.98Å; I641-N644 PolarHBondContact O-N 2.88Å; A642-N644 VanDerWaalsContact C-N 3.34Å; A642-N644 PolarHBondContact O-N 2.97Å; N644-E646 VanDerWaalsContact C-N 3.27Å; N644-E646 PolarHBondContact O-N 3.12Å; N644-L647 PolarHBondContact O-N 3.29Å; N644-Y648 HydrophobicContact CB-CD2 4.09Å; N644-Y648 HydrophobicContact CB-CE2 4.07Å; N644-Y648 WeakPolarHBondContact O-CD2 3.28Å; N644-Y648 PolarHBondContact O-N 2.64Å
645K88Confident80.1Confident92 Ų9280.3 Ų80.340%0.440%0.403SS..Hα-helixtrans-55.7-44.2173.7-77.1179.9175.6-176.10111.7S576 I641 A642 Q649 I650S576-K645 WeakPolarHBondContact OG-CE 3.26Å; S576-K645 WeakPolarHBondContact OG-CG 3.5Å; I641-K645 WeakPolarHBondContact O-CG 3.21Å; I641-K645 PolarHBondContact O-N 3.05Å; A642-K645 PolarHBondContact O-N 2.78Å; K645-Q649 WeakPolarHBondContact O-CA 3.48Å; K645-Q649 PolarHBondContact O-N 2.86Å; K645-I650 PolarHBondContact O-N 3.34Å
646E87.9Confident77.7Confident158 Ų15878.7 Ų78.774%0.73841%0.405SS*.Hα-helixtrans-67.1-48.4176.1-170.7-177177.300111.9A642 K643 N644 Y648 Q649A642-E646 PolarHBondContact O-N 3.42Å; K643-E646 PolarHBondContact O-N 3.14Å; N644-E646 VanDerWaalsContact C-N 3.27Å; N644-E646 PolarHBondContact O-N 3.12Å; E646-Y648 VanDerWaalsContact C-N 3.33Å; E646-Y648 PolarHBondContact O-N 3.33Å; E646-Q649 PolarHBondContact O-N 2.99Å; E646-Q649 VanDerWaalsContact O-N 3.11Å
647L85.2Confident75.7Confident61 Ų6182 Ų8232%0.31943%0.426SS..Hα-helixtrans-57.8-43.3-178.6-179.764.9000112.7K643 N644K643-L647 WeakPolarHBondContact O-CB 3.5Å; K643-L647 PolarHBondContact O-N 2.98Å; N644-L647 PolarHBondContact O-N 3.29Å
648Y85.5Confident73.4Confident9 Ų989.7 Ų89.74%0.03546%0.462CS..THydrogen-bonded Turntrans-92.31.8-179.4-60.1-63.5000113.1G528 K529 C531 M577 N644 E646 I650G528-Y648 CarbonylContact C-O 3.6Å; G528-Y648 WeakPolarHBondContact CA-O 3.43Å; K529-Y648 PolarHBondContact N-O 3.32Å; C531-Y648 HydrophobicContact CB-CD1 4.06Å; C531-Y648 HydrophobicContact CB-CE1 3.35Å; C531-Y648 HydrophobicContact CB-CE2 4.49Å; M577-Y648 HydrophobicContact CE-CD1 4.14Å; M577-Y648 HydrophobicContact CE-CD2 4.1Å; M577-Y648 HydrophobicContact CE-CG 3.85Å; N644-Y648 HydrophobicContact CB-CD2 4.09Å; N644-Y648 HydrophobicContact CB-CE2 4.07Å; N644-Y648 WeakPolarHBondContact O-CD2 3.28Å; N644-Y648 PolarHBondContact O-N 2.64Å; E646-Y648 VanDerWaalsContact C-N 3.33Å; E646-Y648 PolarHBondContact O-N 3.33Å; Y648-I650 VanDerWaalsContact C-N 3.27Å; Y648-I650 PolarHBondContact O-N 3.48Å
649Q87.2Confident71.3Confident104 Ų10489.3 Ų89.349%0.48648%0.477SS..THydrogen-bonded Turntrans57.138.9178.6-55.3174-4.800112.7G528 K645 E646 N651G528-Q649 WeakPolarHBondContact CA-O 3.47Å; K645-Q649 WeakPolarHBondContact O-CA 3.48Å; K645-Q649 PolarHBondContact O-N 2.86Å; E646-Q649 PolarHBondContact O-N 2.99Å; E646-Q649 VanDerWaalsContact O-N 3.11Å; Q649-N651 PolarHBondContact O-N 3.13Å; Q649-N651 VanDerWaalsContact O-N 3.11Å
650I84.1Confident68.7Low4 Ų492.1 Ų92.12%0.02150%0.496CS..  trans-85.184.6179.9-56173000108.3R575 M577 Y604 K645 Y648 P652R575-I650 WeakPolarHBondContact O-CD1 3.31Å; M577-I650 HydrophobicContact CE-CD1 4.06Å; M577-I650 HydrophobicContact CG-CD1 3.84Å; Y604-I650 HydrophobicContact CD1-CG2 4.4Å; Y604-I650 HydrophobicContact CD2-CG2 3.77Å; Y604-I650 HydrophobicContact CE2-CG2 4.25Å; Y604-I650 HydrophobicContact CG-CG2 3.84Å; K645-I650 PolarHBondContact O-N 3.34Å; Y648-I650 VanDerWaalsContact C-N 3.27Å; Y648-I650 PolarHBondContact O-N 3.48Å; I650-P652 WeakPolarHBondContact O-CD 3.49Å
651N79Confident66.3Low124 Ų12494.1 Ų94.166%0.66352%0.523SS*.  trans-115.986.5173.6-67.5-24.2000108.5Q649Q649-N651 PolarHBondContact O-N 3.13Å; Q649-N651 VanDerWaalsContact O-N 3.11Å
652P72Confident63.5Low57 Ų5798.5 Ų98.537%0.3756%0.555SS.*PPolyproline II helixtrans-61.6136.3173.926.8-32.1000108.5Y604 I650 E654Y604-P652 HydrophobicContact CE1-CB 4.14Å; I650-P652 WeakPolarHBondContact O-CD 3.49Å; P652-E654 PolarHBondContact O-N 2.8Å
653P62.1Low61.3Low86 Ų86101.7 Ų101.756%0.55857%0.571SS**PPolyproline II helixtrans-53.2124.7173.418.8-31.1000109.7M606 L655M606-P653 VanDerWaalsContact CE-CD 3.47Å; M606-P653 HydrophobicContact CE-CG 3.55Å; P653-L655 PolarHBondContact O-N 3.2Å; P653-L655 VanDerWaalsContact O-N 3.14Å
654E49.7Very low58.7Low188 Ų188102.4 Ų102.488%0.87958%0.579SS**PPolyproline II helixtrans-56.7120.4171.8-72.1-178166.400107.8P652 T656P652-E654 PolarHBondContact O-N 2.8Å; E654-T656 PolarHBondContact O-N 3.19Å
655L48Very low56.1Low105 Ų105107.8 Ų107.855%0.5562%0.615SS.*  trans-66.298.7174.2-70.3172.5000107.2P653 E657P653-L655 PolarHBondContact O-N 3.2Å; P653-L655 VanDerWaalsContact O-N 3.14Å; L655-E657 PolarHBondContact O-N 2.94Å
656T33.3Very low53.3Low105 Ų105111.1 Ų111.164%0.64463%0.632SS**  trans-60.7118.1163.140.40000107.3E654 E658E654-T656 PolarHBondContact O-N 3.19Å; T656-E658 PolarHBondContact O-N 3.4Å
657E39.9Very low50.6Low199 Ų199109.2 Ų109.293%0.9363%0.633SS**  trans-65.375.5161.4-73.2-168.3155.300108.1L655 G659L655-E657 PolarHBondContact O-N 2.94Å; E657-G659 PolarHBondContact O-N 3.32Å
658E33.6Very low47.9Very low173 Ų173118.1 Ų118.181%0.80866%0.662SS**  trans-80.2101.7167.3-72.1-154.8159.800108.7T656 V660T656-E658 PolarHBondContact O-N 3.4Å; E658-V660 PolarHBondContact O-N 3.48Å
659G41.1Very low45.1Very low71 Ų71126.1 Ų126.173%0.73270%0.7SS**  trans-69.8120.616700000110.9E657E657-G659 PolarHBondContact O-N 3.32Å
660V32.8Very low42.3Very low149 Ų149132.8 Ų132.890%0.90372%0.721SS**  trans-153.6113.9135.3175.90000108.9E658E658-V660 PolarHBondContact O-N 3.48Å
661G34.3Very low39.6Very low68 Ų68137.6 Ų137.670%0.70176%0.755SS**  trans27.3106.7154.100000122.3
662S28.4Very low37.3Very low115 Ų115142.9 Ų142.980%0.80477%0.765SS**  -175.3152.9126-81.10000110.9I664S662-I664 PolarHBondContact O-N 2.86Å
663P40.5Very low35.2Very low127 Ų127148 Ų14883%0.82579%0.789SS**  trans-81118.2-147.430.7-32.9000113.1
664I32.9Very low33.5Very low147 Ų147153.8 Ų153.875%0.75481%0.806SS**  trans-78.6135.9161.4-62.3166.4000107S662 E666S662-I664 PolarHBondContact O-N 2.86Å; I664-E666 PolarHBondContact O-N 3.28Å; I664-E666 VanDerWaalsContact O-N 3.15Å
665P32.6Very low32.4Very low121 Ų121156.3 Ų156.379%0.78681%0.807SS**  trans-66.4114.8169.5-5.920.9000108.4
666E28.8Very low31.6Very low162 Ų162155.9 Ų155.976%0.75781%0.813SS**  trans-55.3135.5176.3-70179.1150.200111.3I664 R668I664-E666 PolarHBondContact O-N 3.28Å; I664-E666 VanDerWaalsContact O-N 3.15Å; E666-R668 PolarHBondContact O-N 3.16Å
667P32Very low31.2Very low118 Ų118159 Ų15977%0.76682%0.82SS**  trans-68.1119.6162.111.9-1.7000108Q669P667-Q669 PolarHBondContact O-N 2.83Å
668R27.6Very low30.5Very low248 Ų248154.5 Ų154.594%0.93681%0.811SS**  trans-44.9115.3177.2-75.7175.7171.9160.5-2.8111.3E666 R670E666-R668 PolarHBondContact O-N 3.16Å; R668-R670 PolarHBondContact O-N 3.01Å
669Q27.9Very low30.5Very low178 Ų178155.4 Ų155.483%0.83282%0.815SS**PPolyproline II helixtrans-53.2120.3173.4-66.6176.6-15.400110.9P667P667-Q669 PolarHBondContact O-N 2.83Å
670R28.1Very low29.8Very low243 Ų243157.5 Ų157.592%0.91782%0.818SS**PPolyproline II helixtrans-79.7118.7156-97.4-176.5175.8177.8-0.5108R668 R672R668-R670 PolarHBondContact O-N 3.01Å; R670-R672 PolarHBondContact O-N 2.91Å
671S27.4Very low29.6Very low105 Ų105155.7 Ų155.773%0.73481%0.812SS**PPolyproline II helixtrans-50.2118.5178.949.60000113.7
672R30.3Very low29.7Very low235 Ų235159.7 Ų159.789%0.88782%0.818SS**  trans-87.6105.7158.7-74-179.4178146.1-0.8108.5R670R670-R672 PolarHBondContact O-N 2.91Å
673L27.8Very low29.7Very low165 Ų165163 Ų16386%0.86482%0.821SS**  trans-91.2117.4162.6-78169.8000108.3
674F27.5Very low29.4Very low208 Ų208164 Ų16491%0.91282%0.824SS**  trans-60130.9165-82-93.8000109.9
675R26.6Very low29.1Very low240 Ų240162.3 Ų162.391%0.90683%0.825SS**  trans-147.2115.8155.4-141.4173.8-173.4152.70.9110.4
676S29.3Very low28.9Very low97 Ų97165.3 Ų165.368%0.67883%0.829SS**  trans-65.6146169.446.60000112.3
677H25.6Very low29.1Very low169 Ų169164.6 Ų164.678%0.78283%0.829SS**  trans166.7108.9145.5-87.6-58.4000107.7
678S25.9Very low28.9Very low106 Ų106164.8 Ų164.874%0.74182%0.824SS**  72.5132.99765.20000115.8
679E33Very low29.5Very low191 Ų191160 Ų16089%0.89382%0.816SS**  trans-40.5140.1-177.4-56.1171.9151.800116.9
680S26.1Very low29.8Very low115 Ų115154.6 Ų154.680%0.80480%0.798SS**  166142.312268.50000113.9
681S28.6Very low30.2Very low112 Ų112151.2 Ų151.278%0.78379%0.792SS**  trans76.5127147.5-162.70000120.5
682D37.4Very low30.5Very low151 Ų151148.7 Ų148.781%0.80778%0.783SS**  trans-37.3127163.9-68-48.6000113.5
683E28.6Very low30.7Very low186 Ų186146.1 Ų146.187%0.86978%0.778SS**  trans-151.4144.2130.8-71.4-153.8156.700109.5S685E683-S685 PolarHBondContact O-N 3.38Å
684V32.4Very low31.6Very low147 Ų147146.3 Ų146.389%0.89177%0.772SS**  trans-47.1119.3-171.4-151.60000112.6E686V684-E686 PolarHBondContact O-N 3.05Å; V684-E686 VanDerWaalsContact O-N 3.11Å
685S27.2Very low32.5Very low112 Ų112142.7 Ų142.778%0.78376%0.762SS**  trans-74.1101171.1-56.20000109.4E683 L687E683-S685 PolarHBondContact O-N 3.38Å; S685-L687 PolarHBondContact O-N 3.42Å
686E29.7Very low33.4Very low183 Ų183132.3 Ų132.386%0.85573%0.728SS**  trans-51.9124.7155.8-76.7-176.6151.700108.2V684 D688V684-E686 PolarHBondContact O-N 3.05Å; V684-E686 VanDerWaalsContact O-N 3.11Å; E686-D688 VanDerWaalsContact C-N 3.32Å; E686-D688 PolarHBondContact O-N 3.1Å
687L32.5Very low34.5Very low148 Ų148131.4 Ų131.478%0.77571%0.712SS**  trans-7183.2-175.1-156.583.6000109.6S685 L689S685-L687 PolarHBondContact O-N 3.42Å; L687-L689 HydrophobicContact CD2-CD2 4.19Å; L687-L689 HydrophobicContact CD2-CG 4.31Å; L687-L689 PolarHBondContact O-N 3.36Å
688D28Very low36Very low121 Ų121126.4 Ų126.465%0.64769%0.693SS**  trans-71.494171.1-171.6-1.8000109.6E686 S690E686-D688 VanDerWaalsContact C-N 3.32Å; E686-D688 PolarHBondContact O-N 3.1Å; D688-S690 VanDerWaalsContact CG-OG 3.29Å; D688-S690 PolarHBondContact O-N 3.5Å; D688-S690 VanDerWaalsContact O-N 3.08Å; D688-S690 VanDerWaalsContact OD1-CB 3.27Å; D688-S690 WeakPolarHBondContact OD1-CB 3.38Å; D688-S690 PolarHBondContact OD1-N 3.49Å; D688-S690 PolarHBondContact OD1-OG 3.45Å; D688-S690 PolarHBondContact OD2-OG 2.88Å
689L39.4Very low37.8Very low147 Ų147122.4 Ų122.477%0.7766%0.663SS**G310 helixtrans-66.73.8178.9-75.7161.6000114.2L687 H691L687-L689 HydrophobicContact CD2-CD2 4.19Å; L687-L689 HydrophobicContact CD2-CG 4.31Å; L687-L689 PolarHBondContact O-N 3.36Å; L689-H691 VanDerWaalsContact C-N 3.33Å; L689-H691 PolarHBondContact O-N 2.92Å
690S34.6Very low39.1Very low65 Ų65119 Ų11946%0.45565%0.647SS.*G310 helixtrans-81.1-5.7-174.868.30000115.2D688D688-S690 VanDerWaalsContact CG-OG 3.29Å; D688-S690 PolarHBondContact O-N 3.5Å; D688-S690 VanDerWaalsContact O-N 3.08Å; D688-S690 VanDerWaalsContact OD1-CB 3.27Å; D688-S690 WeakPolarHBondContact OD1-CB 3.38Å; D688-S690 PolarHBondContact OD1-N 3.49Å; D688-S690 PolarHBondContact OD1-OG 3.45Å; D688-S690 PolarHBondContact OD2-OG 2.88Å
691H37Very low40.7Very low172 Ų172114.4 Ų114.480%0.79661%0.614SS**G310 helixtrans-123.231.4-174.9-74.249.3000114.2L689L689-H691 VanDerWaalsContact C-N 3.33Å; L689-H691 PolarHBondContact O-N 2.92Å
692G33.9Very low42Very low53 Ų53113.4 Ų113.455%0.54660%0.6SS.*SBendtrans-67.9147.2160.600000111.4K694G692-K694 PolarHBondContact O-N 2.82Å
693K34.8Very low43Very low181 Ų181111.8 Ų111.879%0.78759%0.591SS**  trans-49.9112.7171.5-81176.7174.8175.80109.3D695K693-D695 PolarHBondContact O-N 3.09Å
694K45.9Very low44.2Very low168 Ų168108.3 Ų108.373%0.7358%0.582SS**THydrogen-bonded Turntrans-64.7-2.7-170.1-77.6-179.1172.3179.30116.2G692G692-K694 PolarHBondContact O-N 2.82Å
695D45.2Very low45.1Very low132 Ų132106.2 Ų106.271%0.70657%0.566SS**THydrogen-bonded Turntrans-104.410.8-173-55-30.2000114G612 K693G612-D695 WeakPolarHBondContact CA-O 3.47Å; K693-D695 PolarHBondContact O-N 3.09Å
696A46.7Very low46.4Very low23 Ų23102.3 Ų102.319%0.1954%0.541CS..  trans-120.7129-178.500000112.3Q615Q615-A696 HydrophobicContact CB-CB 4.07Å; Q615-A696 HydrophobicContact CG-CB 3.52Å
697F53.2Low47.6Very low78 Ų7894.6 Ų94.634%0.34251%0.506SS..EExtended strand (participates in β ladder)trans-81.7124.1175.1-174.5-94.9000109.1K573 G613 Q615 L699K573-F697 VanDerWaalsContact NZ-CB 3.35Å; G613-F697 PolarHBondContact O-N 2.87Å; Q615-F697 PolarHBondContact N-O 3.13Å; F697-L699 HydrophobicContact CD1-CG 4.36Å; F697-L699 HydrophobicContact CE1-CD2 4.12Å; F697-L699 HydrophobicContact CE1-CG 4.29Å
698V56.5Low48.6Very low64 Ų6495.2 Ų95.239%0.38851%0.505SS..EExtended strand (participates in β ladder)trans-93.5112-177.5-179.20000109.2Q615 A617 E700Q615-V698 HydrophobicContact CB-CG2 4.48Å; Q615-V698 CarbonylContact O-C 3.58Å; Q615-V698 VanDerWaalsContact O-CA 3.28Å; Q615-V698 WeakPolarHBondContact O-CA 3.46Å; A617-V698 HydrophobicContact CB-CG1 3.16Å; V698-E700 HydrophobicContact CG1-CG 4.46Å
699L62.3Low49.9Very low22 Ų2291.4 Ų91.412%0.11549%0.485CS..EExtended strand (participates in β ladder)trans-79.9110.5165.5-78.4164.9000108.1I614 Q615 I616 A617 F697 L714I614-L699 HydrophobicContact CG2-CD1 3.39Å; I614-L699 HydrophobicContact CG2-CG 4.14Å; Q615-L699 PolarHBondContact O-N 2.84Å; I616-L699 WeakPolarHBondContact CA-O 3.18Å; I616-L699 HydrophobicContact CG1-CB 4.44Å; A617-L699 PolarHBondContact N-O 3.45Å; F697-L699 HydrophobicContact CD1-CG 4.36Å; F697-L699 HydrophobicContact CE1-CD2 4.12Å; F697-L699 HydrophobicContact CE1-CG 4.29Å; L699-L714 HydrophobicContact CD1-CD1 4.32Å
700E60.8Low50.9Low119 Ų11985.7 Ų85.756%0.55646%0.455SS*.EExtended strand (participates in β ladder)trans-77.3121.1172.9-65.3-174.9173.500109.5A617 K619 V698A617-E700 WeakPolarHBondContact O-CA 3.24Å; K619-E700 WeakPolarHBondContact CE-OE2 3.33Å; K619-E700 IonicContact NZ-OE2 2.72Å; K619-E700 PolarHBondContact NZ-OE2 3.38Å; V698-E700 HydrophobicContact CG1-CG 4.46Å
701I60.9Low51.9Low18 Ų1886.3 Ų86.39%0.09245%0.45CS..EExtended strand (participates in β ladder)trans-93.5108.6171.9-61174.5000107.3I616 A617 I630 D703 A706 V707 I710I616-I701 HydrophobicContact CG2-CD1 3.21Å; I616-I701 HydrophobicContact CG2-CG1 3.78Å; A617-I701 PolarHBondContact O-N 3.32Å; I630-I701 HydrophobicContact CG1-CD1 4.48Å; I701-D703 WeakPolarHBondContact CG2-O 3.41Å; I701-A706 HydrophobicContact CG2-CB 4.38Å; I701-V707 HydrophobicContact CD1-CG2 4.23Å; I701-V707 HydrophobicContact CG2-CG2 3.54Å; I701-I710 HydrophobicContact CD1-CD1 4.07Å; I701-I710 HydrophobicContact CG1-CD1 3.71Å
702D55.5Low52.9Low92 Ų9280.7 Ų80.749%0.49243%0.43SS..  trans-87.1-29.4-177-72.7-8000112.6K619K619-D702 VanDerWaalsContact CD-OD1 3.25Å; K619-D702 WeakPolarHBondContact CD-OD1 3.22Å; K619-D702 VanDerWaalsContact CE-OD1 3.3Å; K619-D702 WeakPolarHBondContact CE-OD1 3.41Å; K619-D702 IonicContact NZ-OD1 2.69Å; K619-D702 PolarHBondContact NZ-OD1 3Å; K619-D702 IonicContact NZ-OD2 3.35Å; K619-D702 PolarHBondContact NZ-OD2 3Å
703D58.8Low53.9Low117 Ų11779.7 Ų79.763%0.62641%0.412SS*.SBendtrans-148161.9-178.3-68.4-49.7000112.7I701 D705 A706I701-D703 WeakPolarHBondContact CG2-O 3.41Å; D703-D705 PolarHBondContact O-N 2.87Å; D703-A706 VanDerWaalsContact O-CB 3.31Å; D703-A706 WeakPolarHBondContact O-CB 3.38Å; D703-A706 PolarHBondContact O-N 2.78Å; D703-A706 VanDerWaalsContact O-N 3.1Å
704T52.3Low55Low112 Ų11271.6 Ų71.669%0.68738%0.377SS*.THydrogen-bonded Turntrans-58.4-30.3176.112.80000113.8A706 V707T704-A706 VanDerWaalsContact C-N 3.34Å; T704-V707 WeakPolarHBondContact O-CB 3.34Å; T704-V707 PolarHBondContact O-N 3.15Å
705D51.5Low55.6Low103 Ų10366.3 Ų66.355%0.55136%0.357SS*.Hα-helixtrans-73.4-27.8178.4-60.6-26.5000111.9D703 V707 D709D703-D705 PolarHBondContact O-N 2.87Å; D705-V707 PolarHBondContact O-N 3.29Å; D705-V707 VanDerWaalsContact O-N 3.15Å; D705-D709 PolarHBondContact O-N 3.05Å
706A55.5Low56.8Low31 Ų3161.1 Ų61.126%0.25633%0.329SS..Hα-helixtrans-65.6-16.4174.900000112.6I701 D703 T704 I710I701-A706 HydrophobicContact CG2-CB 4.38Å; D703-A706 VanDerWaalsContact O-CB 3.31Å; D703-A706 WeakPolarHBondContact O-CB 3.38Å; D703-A706 PolarHBondContact O-N 2.78Å; D703-A706 VanDerWaalsContact O-N 3.1Å; T704-A706 VanDerWaalsContact C-N 3.34Å; A706-I710 WeakPolarHBondContact O-CD1 3.36Å; A706-I710 WeakPolarHBondContact O-CG1 3.28Å; A706-I710 PolarHBondContact O-N 3.37Å
707V55Low57.9Low21 Ų2162.7 Ų62.713%0.12734%0.342CS..Hα-helixtrans-80.7-43.1-177.7-175.30000112.6H629 I633 I701 T704 D705 D709 I710 H711H629-V707 WeakPolarHBondContact NE2-CG1 3.44Å; I633-V707 HydrophobicContact CD1-CG1 3.49Å; I633-V707 VanDerWaalsContact CD1-CG1 3.49Å; I701-V707 HydrophobicContact CD1-CG2 4.23Å; I701-V707 HydrophobicContact CG2-CG2 3.54Å; T704-V707 WeakPolarHBondContact O-CB 3.34Å; T704-V707 PolarHBondContact O-N 3.15Å; D705-V707 PolarHBondContact O-N 3.29Å; D705-V707 VanDerWaalsContact O-N 3.15Å; V707-D709 VanDerWaalsContact C-N 3.27Å; V707-I710 PolarHBondContact O-N 3.06Å; V707-H711 PolarHBondContact O-N 2.78Å
708E53.5Low58.8Low160 Ų16062.1 Ų62.175%0.74835%0.347SS*.Hα-helixtrans-68.9-30.9171.6-67.9-161.3165.600111.3H711 S712E708-H711 PolarHBondContact O-N 3.41Å; E708-S712 WeakPolarHBondContact O-CB 3.13Å; E708-S712 PolarHBondContact O-N 3.06Å; E708-S712 PolarHBondContact O-OG 2.9Å
709D54.8Low60Low42 Ų4260 Ų6023%0.22534%0.335CS..Hα-helixtrans-65.5-45.2172.6-74.5-20.8000111.5D705 V707 H711 S712 L713 Q760D705-D709 PolarHBondContact O-N 3.05Å; V707-D709 VanDerWaalsContact C-N 3.27Å; D709-H711 VanDerWaalsContact C-N 3.26Å; D709-H711 PolarHBondContact O-N 2.92Å; D709-S712 PolarHBondContact O-N 2.76Å; D709-S712 PolarHBondContact O-OG 2.8Å; D709-L713 HydrophobicContact CB-CD1 3.81Å; D709-L713 WeakPolarHBondContact O-CA 3.31Å; D709-L713 WeakPolarHBondContact O-CB 3.36Å; D709-L713 WeakPolarHBondContact O-CD1 3.43Å; D709-L713 WeakPolarHBondContact O-CG 3.36Å; D709-L713 PolarHBondContact O-N 3.47Å; D709-Q760 PolarHBondContact OD2-NE2 3.42Å
710I60.5Low61.2Low26 Ų2661.9 Ų61.913%0.13335%0.349CS..Hα-helixtrans-57.9-40172.8-74.8166.4000111I701 A706 V707 L714I701-I710 HydrophobicContact CD1-CD1 4.07Å; I701-I710 HydrophobicContact CG1-CD1 3.71Å; A706-I710 WeakPolarHBondContact O-CD1 3.36Å; A706-I710 WeakPolarHBondContact O-CG1 3.28Å; A706-I710 PolarHBondContact O-N 3.37Å; V707-I710 PolarHBondContact O-N 3.06Å; I710-L714 HydrophobicContact CB-CD1 4.43Å; I710-L714 HydrophobicContact CG2-CD1 3.6Å; I710-L714 HydrophobicContact CG2-CG 4.47Å; I710-L714 WeakPolarHBondContact O-CB 3.4Å; I710-L714 WeakPolarHBondContact O-CG 3.21Å; I710-L714 PolarHBondContact O-N 3.1Å
711H56Low62.3Low79 Ų7962.4 Ų62.437%0.36636%0.36SS..Hα-helixtrans-70.4-43.4-178.2-174.6-105.2000113R636 V707 E708 D709 I715R636-H711 PolarHBondContact NH1-CD2 3.15Å; R636-H711 PolarHBondContact NH1-NE2 3.04Å; R636-H711 PolarHBondContact NH2-NE2 2.9Å; V707-H711 PolarHBondContact O-N 2.78Å; E708-H711 PolarHBondContact O-N 3.41Å; D709-H711 VanDerWaalsContact C-N 3.26Å; D709-H711 PolarHBondContact O-N 2.92Å; H711-I715 PolarHBondContact O-N 3.15Å
712S56.7Low63.3Low53 Ų5362.3 Ų62.337%0.37136%0.363SS..Hα-helixtrans-80.4-34-179.161.90000113.6E708 D709E708-S712 WeakPolarHBondContact O-CB 3.13Å; E708-S712 PolarHBondContact O-N 3.06Å; E708-S712 PolarHBondContact O-OG 2.9Å; D709-S712 PolarHBondContact O-N 2.76Å; D709-S712 PolarHBondContact O-OG 2.8Å
713L54.9Low64.8Low32 Ų3258.2 Ų58.217%0.16834%0.341CS..Hα-helixtrans-80.9-22.9-178.8-63.5168.8000112.8K571 D709K571-L713 WeakPolarHBondContact CE-O 3.46Å; K571-L713 PolarHBondContact NZ-O 3.28Å; D709-L713 HydrophobicContact CB-CD1 3.81Å; D709-L713 WeakPolarHBondContact O-CA 3.31Å; D709-L713 WeakPolarHBondContact O-CB 3.36Å; D709-L713 WeakPolarHBondContact O-CD1 3.43Å; D709-L713 WeakPolarHBondContact O-CG 3.36Å; D709-L713 PolarHBondContact O-N 3.47Å
714L59.1Low66.3Low11 Ų1154.4 Ų54.46%0.05832%0.319CS..Hα-helixtrans-102.8-24.7-175.6-65.6-177.1000114.7N570 L574 L699 I710N570-L714 HydrophobicContact CB-CD2 3.51Å; L574-L714 HydrophobicContact CD1-CB 3.51Å; L574-L714 HydrophobicContact CD1-CD1 4.08Å; L574-L714 HydrophobicContact CD1-CD2 4.07Å; L574-L714 HydrophobicContact CD1-CG 4.1Å; L699-L714 HydrophobicContact CD1-CD1 4.32Å; I710-L714 HydrophobicContact CB-CD1 4.43Å; I710-L714 HydrophobicContact CG2-CD1 3.6Å; I710-L714 HydrophobicContact CG2-CG 4.47Å; I710-L714 WeakPolarHBondContact O-CB 3.4Å; I710-L714 WeakPolarHBondContact O-CG 3.21Å; I710-L714 PolarHBondContact O-N 3.1Å
715I58.8Low68.2Low58 Ų5849.6 Ų49.630%0.29729%0.289SS..  trans-109.780.9-173.6-50.9-173.4000110.2H711H711-I715 PolarHBondContact O-N 3.15Å
716D69.6Low70.1Confident23 Ų2344.7 Ų44.712%0.12326%0.263CS..PPolyproline II helixtrans-62.1145.1165.6-59.2-43.7000110K571 S718K571-D716 IonicContact NZ-OD1 2.8Å; K571-D716 PolarHBondContact NZ-OD1 2.93Å; K571-D716 IonicContact NZ-OD2 2.79Å; K571-D716 PolarHBondContact NZ-OD2 2.9Å; D716-S718 PolarHBondContact O-N 2.86Å
717A70.2Confident71.9Confident56 Ų5644 Ų4446%0.46326%0.255SS..PPolyproline II helixtrans-57.7124.1173.200000110.8E771A717-E771 PolarHBondContact N-OE1 2.95Å; A717-E771 VanDerWaalsContact N-OE1 3.09Å
718S72.3Confident73.6Confident65 Ų6543.1 Ų43.146%0.45525%0.249SC..PPolyproline II helixtrans-63.3140.7176.257.80000110.6D716D716-S718 PolarHBondContact O-N 2.86Å
719P81.9Confident75.3Confident21 Ų2136.2 Ų36.214%0.13622%0.217CC..PPolyproline II helixtrans-58.2148.317525.6-33.6000110.6F723 Y778P719-F723 HydrophobicContact CB-CB 4.22Å; P719-Y778 HydrophobicContact CB-CE1 4.44Å; P719-Y778 HydrophobicContact CB-CE2 4.43Å
720P86.3Confident76.9Confident61 Ų6136.9 Ų36.940%0.39622%0.223SC..PPolyproline II helixtrans-60.5156.1175.2-18.930.7000111.5G722 F723 Y778P720-G722 PolarHBondContact O-N 2.98Å; P720-F723 HydrophobicContact CB-CD2 3.98Å; P720-F723 HydrophobicContact CB-CE2 4.5Å; P720-F723 HydrophobicContact CG-CD2 4.26Å; P720-F723 WeakPolarHBondContact O-CB 3.44Å; P720-F723 PolarHBondContact O-N 2.86Å; P720-Y778 HydrophobicContact CG-CD2 4.13Å; P720-Y778 HydrophobicContact CG-CG 4.18Å
721T83.6Confident78.3Confident129 Ų12935.8 Ų35.879%0.79122%0.217SC*.THydrogen-bonded Turntrans-56.8129.5-176.449.40000111.8
722G83.3Confident79.8Confident16 Ų1632.2 Ų32.217%0.16520%0.201CC..THydrogen-bonded Turntrans85.41.3-17800000115.6P720 C787P720-G722 PolarHBondContact O-N 2.98Å; G722-C787 PolarHBondContact O-N 3.06Å; G722-C787 VanDerWaalsContact O-N 3.13Å
723F87.4Confident81.1Confident7 Ų730.9 Ų30.93%0.03120%0.195CC..EExtended strand (participates in β ladder)trans-99.3138.4165.3-74.6-82.2000111.9P719 P720 Y778 L781 I785 C787P719-F723 HydrophobicContact CB-CB 4.22Å; P720-F723 HydrophobicContact CB-CD2 3.98Å; P720-F723 HydrophobicContact CB-CE2 4.5Å; P720-F723 HydrophobicContact CG-CD2 4.26Å; P720-F723 WeakPolarHBondContact O-CB 3.44Å; P720-F723 PolarHBondContact O-N 2.86Å; F723-Y778 HydrophobicContact CB-CD1 4.18Å; F723-Y778 HydrophobicContact CB-CE1 4.21Å; F723-Y778 AromaticContact CD1-CD1 3.84Å; F723-Y778 HydrophobicContact CD1-CD1 3.84Å; F723-Y778 HydrophobicContact CD1-CE1 4.41Å; F723-Y778 HydrophobicContact CD2-CD1 4.38Å; F723-Y778 HydrophobicContact CE1-CD1 4.27Å; F723-Y778 AromaticContact CG-CD1 3.89Å; F723-Y778 HydrophobicContact CG-CD1 3.89Å; F723-Y778 HydrophobicContact CG-CE1 4.39Å; F723-Y778 WeakPolarHBondContact CZ-O 3.23Å; F723-L781 HydrophobicContact CE1-CB 3.87Å; F723-L781 HydrophobicContact CZ-CB 4.2Å; F723-I785 HydrophobicContact CD2-CD1 4.19Å; F723-I785 HydrophobicContact CD2-CG1 4.2Å; F723-I785 HydrophobicContact CE1-CG1 4.46Å; F723-I785 HydrophobicContact CE2-CD1 3.52Å; F723-I785 HydrophobicContact CE2-CG1 3.57Å; F723-I785 HydrophobicContact CZ-CD1 4.1Å; F723-I785 HydrophobicContact CZ-CG1 3.73Å; F723-C787 WeakPolarHBondContact CA-O 3.5Å; F723-C787 HydrophobicContact CD1-CB 3.91Å; F723-C787 HydrophobicContact CE1-CB 3.8Å
724Y89.9Confident82.5Confident37 Ų3729.9 Ų29.915%0.14519%0.19CC..EExtended strand (participates in β ladder)trans-127.7146.4171.2-57.6-84.8000109.5K529 I734 C787 C788 L789 F815K529-Y724 HydrophobicContact CB-CE1 4.49Å; K529-Y724 HydrophobicContact CD-CD1 4.04Å; K529-Y724 HydrophobicContact CD-CE1 3.4Å; K529-Y724 PolarHBondContact NZ-OH 3.08Å; Y724-I734 HydrophobicContact CD2-CD1 3.91Å; Y724-I734 HydrophobicContact CE2-CD1 4.36Å; Y724-I734 HydrophobicContact CG-CD1 4.1Å; Y724-C787 PolarHBondContact N-O 3.36Å; Y724-C787 VanDerWaalsContact N-O 3.09Å; Y724-C788 CarbonylContact O-C 3.6Å; Y724-C788 VanDerWaalsContact O-CA 3.31Å; Y724-C788 WeakPolarHBondContact O-CA 3.17Å; Y724-L789 PolarHBondContact O-N 3.48Å; Y724-F815 AromaticContact CD2-CE1 4Å; Y724-F815 HydrophobicContact CD2-CE1 4Å; Y724-F815 AromaticContact CD2-CZ 3.92Å; Y724-F815 HydrophobicContact CD2-CZ 3.92Å; Y724-F815 HydrophobicContact CE2-CE1 4.29Å; Y724-F815 AromaticContact CE2-CZ 3.75Å; Y724-F815 HydrophobicContact CE2-CZ 3.75Å
725T91.7Very high83.4Confident11 Ų1137.2 Ų37.27%0.06722%0.218CC..EExtended strand (participates in β ladder)trans-135.7135.7-17756.50000111.7C531 L532 M731 Y778 L789C531-T725 CarbonylContact C-O 3.53Å; C531-T725 WeakPolarHBondContact CA-O 3.32Å; L532-T725 PolarHBondContact N-O 2.83Å; T725-M731 WeakPolarHBondContact O-CE 3.39Å; T725-Y778 HydrophobicContact CG2-CE1 3.64Å; T725-Y778 WeakPolarHBondContact CG2-OH 3.1Å; T725-L789 CarbonylContact C-O 3.57Å; T725-L789 WeakPolarHBondContact CA-O 3.28Å; T725-L789 HydrophobicContact CG2-CB 3.9Å; T725-L789 HydrophobicContact CG2-CD1 3.91Å; T725-L789 HydrophobicContact CG2-CG 4.08Å
726C92.3Very high84.6Confident0 Ų038 Ų380%022%0.223CC..  trans-148.1158.8177.565.40000112T601 M731 L789 C790 H791 L792T601-C726 HydrophobicContact CG2-CB 3.72Å; C726-M731 HydrophobicContact CB-CE 3.49Å; C726-M731 VanDerWaalsContact CB-CE 3.49Å; C726-M731 HydrophobicContact CB-SD 3.88Å; C726-L789 PolarHBondContact N-O 3.16Å; C726-C790 VanDerWaalsContact SG-SG 3.62Å; C726-H791 PolarHBondContact O-N 3.08Å; C726-L792 WeakPolarHBondContact O-CB 3.37Å; C726-L792 PolarHBondContact O-N 3.48Å
727N91.9Very high85.3Confident17 Ų1739.3 Ų39.39%0.09123%0.226CC..SBendtrans-90.8-24.1173.3-165.637.8000113L532 G582 T601 H791 L792L532-N727 HydrophobicContact CD1-CB 4.2Å; G582-N727 PolarHBondContact O-ND2 2.86Å; T601-N727 PolarHBondContact OG1-N 2.89Å; N727-H791 WeakPolarHBondContact O-CA 3.41Å; N727-L792 PolarHBondContact OD1-O 2.91Å
728T91.3Very high85.9Confident1 Ų138 Ų381%0.00621%0.212CC..SBendtrans-70.2160.117848.70000111.3D519 F581 T601 T730 H791D519-T728 WeakPolarHBondContact OD1-CA 3.18Å; D519-T728 WeakPolarHBondContact OD1-CB 3.3Å; F581-T728 HydrophobicContact CB-CG2 4.05Å; T601-T728 PolarHBondContact OG1-N 2.86Å; T601-T728 VanDerWaalsContact OG1-N 3.1Å; T728-T730 PolarHBondContact O-N 3.18Å; T728-T730 PolarHBondContact OG1-O 2.9Å; T728-H791 PolarHBondContact O-N 3.46Å
729E89.2Confident86.3Confident15 Ų1537.9 Ų37.97%0.0721%0.209CC..SBendtrans-60.2-36.4177.7-66.1-161.4141.800112.6D519 L906 S907D519-E729 PolarHBondContact OD1-N 3Å; E729-L906 HydrophobicContact CB-CD2 3.98Å; E729-L906 HydrophobicContact CG-CD2 4.41Å; E729-L906 WeakPolarHBondContact O-CD2 3.34Å; E729-S907 VanDerWaalsContact OE1-CB 3.23Å; E729-S907 WeakPolarHBondContact OE1-CB 3.2Å; E729-S907 PolarHBondContact OE1-N 2.71Å; E729-S907 PolarHBondContact OE1-OG 3.1Å; E729-S907 WeakPolarHBondContact OE2-CB 3.46Å; E729-S907 PolarHBondContact OE2-OG 2.78Å
730T87.8Confident86.2Confident57 Ų5739.4 Ų39.435%0.3522%0.223SC..SBendtrans-119.4140.6177.1550000111T728 P732 F908T728-T730 PolarHBondContact O-N 3.18Å; T728-T730 PolarHBondContact OG1-O 2.9Å; T730-P732 VanDerWaalsContact O-CD 3.28Å; T730-P732 WeakPolarHBondContact O-CD 3.44Å; T730-F908 HydrophobicContact CG2-CE1 3.86Å; T730-F908 HydrophobicContact CG2-CZ 3.65Å
731M89.8Confident86Confident2 Ų238 Ų381%0.0121%0.213CC..  trans-71121.5174177.558.375.200111.4T725 C726 G733 I734 W737 C788T725-M731 WeakPolarHBondContact O-CE 3.39Å; C726-M731 HydrophobicContact CB-CE 3.49Å; C726-M731 VanDerWaalsContact CB-CE 3.49Å; C726-M731 HydrophobicContact CB-SD 3.88Å; M731-G733 PolarHBondContact O-N 3.38Å; M731-I734 HydrophobicContact CB-CB 4.42Å; M731-I734 HydrophobicContact CG-CB 4.22Å; M731-I734 HydrophobicContact CG-CD1 3.86Å; M731-I734 HydrophobicContact CG-CG1 3.98Å; M731-I734 PolarHBondContact O-N 3.37Å; M731-W737 HydrophobicContact CB-CH2 3.6Å; M731-W737 HydrophobicContact CB-CZ2 3.75Å; M731-C788 VanDerWaalsContact CB-SG 3.53Å; M731-C788 WeakPolarHBondContact CE-SG 3.38Å
732P88.4Confident86.2Confident5 Ų537 Ų373%0.03220%0.2CC..THydrogen-bonded Turntrans-62.2131.5172.6-24.437.4000111.6L520 V526 G530 T601 V603 T730L520-P732 HydrophobicContact CD2-CB 3.86Å; L520-P732 HydrophobicContact CD2-CG 3.96Å; V526-P732 HydrophobicContact CG1-CB 4.35Å; G530-P732 PolarHBondContact N-O 3.27Å; T601-P732 HydrophobicContact CG2-CG 4.07Å; V603-P732 HydrophobicContact CG1-CB 3.68Å; V603-P732 HydrophobicContact CG1-CG 3.56Å; T730-P732 VanDerWaalsContact O-CD 3.28Å; T730-P732 WeakPolarHBondContact O-CD 3.44Å
733G82.8Confident86.5Confident24 Ų2438 Ų3825%0.24720%0.201CC..THydrogen-bonded Turntrans87.51179.100000115.6M731M731-G733 PolarHBondContact O-N 3.38Å
734I84.3Confident86.5Confident11 Ų1139.2 Ų39.26%0.05621%0.206CC..  trans-126.7123.5172.8-55.7-178.1000109.2Y724 M731 W737 F815Y724-I734 HydrophobicContact CD2-CD1 3.91Å; Y724-I734 HydrophobicContact CE2-CD1 4.36Å; Y724-I734 HydrophobicContact CG-CD1 4.1Å; M731-I734 HydrophobicContact CB-CB 4.42Å; M731-I734 HydrophobicContact CG-CB 4.22Å; M731-I734 HydrophobicContact CG-CD1 3.86Å; M731-I734 HydrophobicContact CG-CG1 3.98Å; M731-I734 PolarHBondContact O-N 3.37Å; I734-W737 HydrophobicContact CB-CH2 4.03Å; I734-W737 HydrophobicContact CB-CZ2 3.96Å; I734-W737 HydrophobicContact CG2-CH2 3.8Å; I734-W737 HydrophobicContact CG2-CZ2 3.9Å; I734-W737 HydrophobicContact CG2-CZ3 4.19Å; I734-W737 VanDerWaalsContact O-CZ2 3.32Å; I734-W737 WeakPolarHBondContact O-CZ2 3.38Å; I734-W737 PolarHBondContact O-NE1 3.44Å; I734-F815 HydrophobicContact CD1-CD1 4.4Å; I734-F815 HydrophobicContact CD1-CE1 3.91Å; I734-F815 HydrophobicContact CD1-CE2 4.43Å; I734-F815 HydrophobicContact CD1-CZ 3.91Å; I734-F815 HydrophobicContact CG2-CB 4.1Å; I734-F815 HydrophobicContact CG2-CD1 4.16Å; I734-F815 HydrophobicContact CG2-CD2 4.04Å; I734-F815 HydrophobicContact CG2-CE2 4.49Å; I734-F815 HydrophobicContact CG2-CG 3.85Å
735Y78.9Confident86.5Confident166 Ų16638.5 Ų38.565%0.65121%0.205SC*.  trans-118.8-18.5-172.4-54-72.5000114.3W737Y735-W737 PolarHBondContact O-N 3.33Å
736N83.3Confident86.4Confident73 Ų7338.5 Ų38.539%0.3921%0.206SC..  trans-97.775.5-170.4-67.2-9.5000112.7F815 D816N736-F815 VanDerWaalsContact O-CA 3.25Å; N736-F815 WeakPolarHBondContact O-CA 3.41Å; N736-F815 WeakPolarHBondContact O-CB 3.49Å; N736-D816 PolarHBondContact O-N 2.87Å
737W84.7Confident86.3Confident52 Ų5239 Ų3920%0.19721%0.209CC..EExtended strand (participates in β ladder)trans-82.5136.5-175.9-57104.9000113.4M731 I734 Y735 C788 M813 F815 P910M731-W737 HydrophobicContact CB-CH2 3.6Å; M731-W737 HydrophobicContact CB-CZ2 3.75Å; I734-W737 HydrophobicContact CB-CH2 4.03Å; I734-W737 HydrophobicContact CB-CZ2 3.96Å; I734-W737 HydrophobicContact CG2-CH2 3.8Å; I734-W737 HydrophobicContact CG2-CZ2 3.9Å; I734-W737 HydrophobicContact CG2-CZ3 4.19Å; I734-W737 VanDerWaalsContact O-CZ2 3.32Å; I734-W737 WeakPolarHBondContact O-CZ2 3.38Å; I734-W737 PolarHBondContact O-NE1 3.44Å; Y735-W737 PolarHBondContact O-N 3.33Å; W737-C788 HydrophobicContact CH2-CB 3.84Å; W737-C788 HydrophobicContact CZ3-CB 3.68Å; W737-M813 HydrophobicContact CD2-CE 4.31Å; W737-M813 HydrophobicContact CE3-CB 3.81Å; W737-M813 HydrophobicContact CE3-CE 4.1Å; W737-M813 HydrophobicContact CE3-SD 4.32Å; W737-M813 HydrophobicContact CH2-CE 4.21Å; W737-M813 HydrophobicContact CZ2-CE 4.43Å; W737-M813 HydrophobicContact CZ3-CB 3.92Å; W737-M813 HydrophobicContact CZ3-CE 4.05Å; W737-F815 HydrophobicContact CE3-CB 4.21Å; W737-F815 HydrophobicContact CZ3-CB 4.4Å; W737-F815 HydrophobicContact CZ3-CD1 4.26Å; W737-P910 HydrophobicContact CB-CB 3.95Å; W737-P910 HydrophobicContact CB-CG 4.35Å
738T83.7Confident86.2Confident27 Ų2742.5 Ų42.517%0.16622%0.221CC..EExtended strand (participates in β ladder)trans-83.8165168.2660000111.1A740 T814 P910T738-A740 PolarHBondContact O-N 2.88Å; T738-T814 WeakPolarHBondContact CB-O 3.28Å; T738-T814 PolarHBondContact N-O 2.88Å; T738-T814 VanDerWaalsContact OG1-C 3.23Å; T738-T814 PolarHBondContact OG1-O 2.76Å; T738-T814 PolarHBondContact OG1-OG1 3.4Å; T738-P910 WeakPolarHBondContact O-CB 3.39Å
739T79.9Confident86.1Confident64 Ų6444.3 Ų44.339%0.39323%0.232SC..EExtended strand (participates in β ladder)trans-76.5-2178.357.80000114.3V741T739-V741 PolarHBondContact O-N 2.85Å
740A79.1Confident86.1Confident53 Ų5346.2 Ų46.244%0.43824%0.242SC..EExtended strand (participates in β ladder)trans-82.4100.3-179.500000110.1T738T738-A740 PolarHBondContact O-N 2.88Å
741V83.3Confident86Confident30 Ų3049.7 Ų49.718%0.18225%0.249CC..EExtended strand (participates in β ladder)trans-117.8125.7-178.8-177.70000108.4T739 V811 L909 P910T739-V741 PolarHBondContact O-N 2.85Å; V741-V811 HydrophobicContact CG1-CG1 3.39Å; V741-L909 HydrophobicContact CB-CD2 4.34Å; V741-L909 HydrophobicContact CG1-CD2 4.18Å; V741-L909 HydrophobicContact CG2-CD2 4.28Å; V741-P910 HydrophobicContact CG2-CG 3.99Å
742Q86.8Confident85.8Confident108 Ų10850.2 Ų50.251%0.50525%0.252SS..EExtended strand (participates in β ladder)trans-127.9109.5175.4-68.6-177-14.200110N784 A812Q742-N784 PolarHBondContact OE1-ND2 2.84Å; Q742-A812 HydrophobicContact CB-CB 4.4Å; Q742-A812 PolarHBondContact N-O 2.9Å; Q742-A812 PolarHBondContact O-N 3.21Å
743M90.3Very high85.1Confident38 Ų3854.3 Ų54.319%0.18728%0.281CS..EExtended strand (participates in β ladder)trans-77.5142.9170177.6-169.6152.900110.2T745 A810 V811 M903 F950 Y968M743-T745 WeakPolarHBondContact CE-OG1 3.47Å; M743-A810 WeakPolarHBondContact CA-O 3.49Å; M743-V811 HydrophobicContact CB-CG2 4.46Å; M743-M903 VanDerWaalsContact CB-O 3.31Å; M743-M903 WeakPolarHBondContact CB-O 3.34Å; M743-M903 HydrophobicContact SD-CB 3.88Å; M743-F950 HydrophobicContact CE-CE1 3.8Å; M743-F950 HydrophobicContact CE-CZ 3.73Å; M743-Y968 HydrophobicContact CE-CD1 3.15Å; M743-Y968 HydrophobicContact CE-CE1 3.11Å; M743-Y968 HydrophobicContact CE-CE2 4.45Å; M743-Y968 HydrophobicContact CE-CG 3.91Å; M743-Y968 HydrophobicContact SD-CD1 3.78Å; M743-Y968 HydrophobicContact SD-CE1 4.31Å; M743-Y968 HydrophobicContact SD-CG 4.07Å
744F87.3Confident84.2Confident32 Ų3258.6 Ų58.614%0.1430%0.298CS..EExtended strand (participates in β ladder)trans-138.9147.5170.552.2-90.8000111.1F777 L781 L789 A810 A812F744-F777 AromaticContact CD2-CD1 3.57Å; F744-F777 HydrophobicContact CD2-CD1 3.57Å; F744-F777 HydrophobicContact CD2-CD2 4.45Å; F744-F777 AromaticContact CD2-CE1 3.24Å; F744-F777 HydrophobicContact CD2-CE1 3.24Å; F744-F777 HydrophobicContact CD2-CE2 4.19Å; F744-F777 HydrophobicContact CD2-CG 4.17Å; F744-F777 AromaticContact CD2-CZ 3.58Å; F744-F777 HydrophobicContact CD2-CZ 3.58Å; F744-F777 HydrophobicContact CE2-CB 4.43Å; F744-F777 AromaticContact CE2-CD1 3.56Å; F744-F777 HydrophobicContact CE2-CD1 3.56Å; F744-F777 AromaticContact CE2-CD2 3.76Å; F744-F777 HydrophobicContact CE2-CD2 3.76Å; F744-F777 AromaticContact CE2-CE1 3.56Å; F744-F777 HydrophobicContact CE2-CE1 3.56Å; F744-F777 AromaticContact CE2-CE2 3.77Å; F744-F777 HydrophobicContact CE2-CE2 3.77Å; F744-F777 AromaticContact CE2-CG 3.66Å; F744-F777 HydrophobicContact CE2-CG 3.66Å; F744-F777 AromaticContact CE2-CZ 3.65Å; F744-F777 HydrophobicContact CE2-CZ 3.65Å; F744-F777 HydrophobicContact CG-CD1 4.33Å; F744-F777 HydrophobicContact CG-CE1 4.18Å; F744-F777 HydrophobicContact CZ-CD1 4.34Å; F744-F777 HydrophobicContact CZ-CG 4.25Å; F744-L781 HydrophobicContact CE1-CD1 3.97Å; F744-L781 HydrophobicContact CZ-CD1 4.41Å; F744-L789 HydrophobicContact CE1-CD2 3.79Å; F744-L789 HydrophobicContact CZ-CD1 4.27Å; F744-L789 HydrophobicContact CZ-CD2 3.67Å; F744-L789 HydrophobicContact CZ-CG 4.45Å; F744-A810 HydrophobicContact CD2-CB 4.17Å; F744-A810 HydrophobicContact CE1-CB 4.05Å; F744-A810 HydrophobicContact CE2-CB 3.34Å; F744-A810 HydrophobicContact CZ-CB 3.28Å; F744-A810 PolarHBondContact N-O 3.36Å; F744-A810 PolarHBondContact O-N 3.15Å; F744-A812 HydrophobicContact CE1-CB 3.99Å
745T89.6Confident82.7Confident22 Ų2262.1 Ų62.114%0.13533%0.328CS..EExtended strand (participates in β ladder)trans-130.1132.1173.4-57.70000107.6M743 V808 T809 I946 M970M743-T745 WeakPolarHBondContact CE-OG1 3.47Å; T745-V808 CarbonylContact C-O 3.54Å; T745-V808 VanDerWaalsContact CA-O 3.31Å; T745-V808 WeakPolarHBondContact CA-O 3.24Å; T745-T809 HydrophobicContact CG2-CG2 3.81Å; T745-I946 HydrophobicContact CG2-CD1 4.49Å; T745-M970 HydrophobicContact CG2-CE 3.59Å; T745-M970 HydrophobicContact CG2-SD 3.85Å
746S89.8Confident81.9Confident12 Ų1262.2 Ų62.28%0.08434%0.34CS..EExtended strand (participates in β ladder)trans-135.6128.8176.4-172.70000109.4S807 V808S746-S807 CarbonylContact O-C 3.53Å; S746-S807 WeakPolarHBondContact O-CA 3.46Å; S746-V808 PolarHBondContact N-O 2.97Å; S746-V808 PolarHBondContact O-N 3.14Å
747V90.6Very high81.4Confident9 Ų960.9 Ų60.96%0.05533%0.333CS..EExtended strand (participates in β ladder)trans-110.7132.5171.3-1740000108.1Q805 L942 I946 M970V747-Q805 HydrophobicContact CG1-CG 3.88Å; V747-L942 HydrophobicContact CB-CD1 4.3Å; V747-L942 HydrophobicContact CG1-CD1 3.84Å; V747-I946 HydrophobicContact CB-CD1 4.35Å; V747-I946 HydrophobicContact CG2-CD1 3.59Å; V747-M970 HydrophobicContact CG2-CE 4.02Å
748R89.3Confident81.3Confident91 Ų9161 Ų6134%0.34334%0.342SS..EExtended strand (participates in β ladder)trans-125.9130.1172.7-73.1-70.5-175.5-127.88.3108.9L769 L773 Q805 V806 S939R748-L769 HydrophobicContact CB-CD1 4.23Å; R748-L773 HydrophobicContact CB-CD1 4.21Å; R748-L773 HydrophobicContact CB-CD2 4.23Å; R748-L773 HydrophobicContact CB-CG 4.41Å; R748-L773 HydrophobicContact CG-CD1 4.18Å; R748-L773 HydrophobicContact CG-CD2 3.33Å; R748-L773 HydrophobicContact CG-CG 3.87Å; R748-Q805 WeakPolarHBondContact O-CA 3.39Å; R748-V806 PolarHBondContact N-O 2.94Å; R748-V806 PolarHBondContact O-N 2.98Å; R748-S939 PolarHBondContact NH1-OG 3.11Å
749V89.3Confident81.2Confident39 Ų3963.3 Ų63.324%0.23635%0.353CS..EExtended strand (participates in β ladder)trans-112.6125.5173.1-1780000106.7L803 I804 Q805 V938 L942 L975V749-L803 HydrophobicContact CG1-CB 4.41Å; V749-L803 HydrophobicContact CG1-CD1 4.41Å; V749-L803 HydrophobicContact CG1-CD2 4.11Å; V749-I804 WeakPolarHBondContact CA-O 3.49Å; V749-Q805 HydrophobicContact CG2-CB 4.29Å; V749-Q805 HydrophobicContact CG2-CG 4Å; V749-V938 HydrophobicContact CB-CG1 4.02Å; V749-V938 HydrophobicContact CG1-CG1 4.43Å; V749-V938 HydrophobicContact CG2-CG1 3.87Å; V749-L942 HydrophobicContact CG2-CD1 3.84Å; V749-L975 HydrophobicContact CG1-CD2 4.26Å; V749-L975 HydrophobicContact CG2-CD2 3.79Å
750L88.4Confident81.1Confident55 Ų5563.9 Ų63.929%0.28835%0.351SS..EExtended strand (participates in β ladder)trans-114.5127.9176.7179.568.2000108.7I765 L769 L803 I804L750-I765 HydrophobicContact CD2-CG2 3.37Å; L750-L769 HydrophobicContact CB-CD1 4.19Å; L750-L769 HydrophobicContact CB-CD2 3.98Å; L750-L769 HydrophobicContact CD2-CD2 4.27Å; L750-L803 WeakPolarHBondContact O-CA 3.46Å; L750-I804 PolarHBondContact N-O 3.49Å; L750-I804 PolarHBondContact O-N 2.98Å
751R87.1Confident81.2Confident130 Ų13063.2 Ų63.249%0.49134%0.343SS..EExtended strand (participates in β ladder)trans-91.6126.1170.5-170.6169.2-172.7153.36.7110.6E802 L803R751-E802 CarbonylContact C-O 3.53Å; R751-E802 WeakPolarHBondContact CA-O 3.46Å; R751-E802 HydrophobicContact CG-CB 4.35Å; R751-E802 IonicContact CZ-OE2 3.49Å; R751-E802 IonicContact NE-OE2 2.63Å; R751-E802 PolarHBondContact NE-OE2 3.41Å; R751-E802 IonicContact NH2-OE2 2.9Å; R751-E802 PolarHBondContact NH2-OE2 2.96Å; R751-L803 HydrophobicContact CB-CD2 3.68Å; R751-L803 HydrophobicContact CG-CD2 3.83Å
752L84.6Confident81.2Confident13 Ų1361.8 Ų61.87%0.06834%0.335CS..PPolyproline II helixtrans-79.1140.2176.2-61.8173000110M593 L757 L762 I765 E802 I804M593-L752 HydrophobicContact CE-CD1 3.57Å; M593-L752 HydrophobicContact SD-CD1 4.03Å; L752-L757 HydrophobicContact CB-CD1 4.15Å; L752-L762 HydrophobicContact CD1-CD2 3.89Å; L752-L762 HydrophobicContact CD2-CD2 3.95Å; L752-I765 HydrophobicContact CD2-CG2 4.1Å; L752-E802 PolarHBondContact N-O 3.3Å; L752-I804 HydrophobicContact CD1-CD1 4.05Å; L752-I804 HydrophobicContact CD1-CG1 4.19Å; L752-I804 HydrophobicContact CD2-CD1 4.11Å; L752-I804 HydrophobicContact CG-CD1 4.36Å; L752-I804 HydrophobicContact CG-CG1 4.47Å
753S75Confident81.2Confident92 Ų9257.6 Ų57.664%0.64332%0.316SS*.PPolyproline II helixtrans-94.1118.9172.854.20000110.2A755S753-A755 PolarHBondContact O-N 3.49Å
754N63.3Low80.9Confident114 Ų11462 Ų6261%0.6133%0.334SS*.  trans-62.48-170.5-72.4-7.5000118.3N756 E802N754-N756 PolarHBondContact O-N 2.93Å; N754-E802 PolarHBondContact ND2-OE1 3.48Å; N754-E802 PolarHBondContact OD1-OE1 3.4Å
755A52.5Low80.9Confident84 Ų8463 Ų6369%0.69434%0.34SS*.SBendtrans-77.497-179.200000110.9S753 L757S753-A755 PolarHBondContact O-N 3.49Å; A755-L757 PolarHBondContact O-N 2.76Å
756N62.7Low80.9Confident169 Ų16961.9 Ų61.990%0.90433%0.334SS*.  trans38.861.8169.3-67.1-21000115.1N754N754-N756 PolarHBondContact O-N 2.93Å
757L73Confident80.8Confident44 Ų4462.2 Ų62.223%0.2334%0.335CS..  trans-73129.4177.1-66166.9000110.3L540 L752 A755 L762 I765L540-L757 WeakPolarHBondContact CD1-O 3.4Å; L752-L757 HydrophobicContact CB-CD1 4.15Å; A755-L757 PolarHBondContact O-N 2.76Å; L757-L762 HydrophobicContact CB-CD1 4.21Å; L757-L762 HydrophobicContact CB-CD2 4.29Å; L757-L762 HydrophobicContact CB-CG 4.05Å; L757-L762 HydrophobicContact CD1-CD2 3.88Å; L757-L762 HydrophobicContact CG-CD2 4.45Å; L757-I765 HydrophobicContact CD2-CD1 4.14Å
758S82Confident80.6Confident56 Ų5664.9 Ų64.939%0.39235%0.349SS..  trans-91.6161.5168.869.80000109.7Q760 S761 L762S758-Q760 PolarHBondContact O-N 3.07Å; S758-S761 PolarHBondContact N-OG 3.09Å; S758-S761 PolarHBondContact O-N 3.24Å; S758-S761 PolarHBondContact O-OG 3.21Å; S758-S761 VanDerWaalsContact O-OG 3.07Å; S758-S761 PolarHBondContact OG-N 3.03Å; S758-S761 PolarHBondContact OG-OG 2.89Å; S758-L762 WeakPolarHBondContact O-CG 3.47Å; S758-L762 PolarHBondContact O-N 3.46Å; S758-L762 VanDerWaalsContact O-N 3.1Å
759N80.9Confident80.6Confident74 Ų7461.6 Ų61.640%0.39634%0.338SS..Hα-helixtrans-55.8-38.3173.9-72.3-61.3000111.7R539 L540 L762 N763R539-N759 WeakPolarHBondContact CA-OD1 3.44Å; L540-N759 PolarHBondContact N-OD1 3.18Å; N759-L762 PolarHBondContact O-N 2.89Å; N759-N763 WeakPolarHBondContact O-CB 3.3Å; N759-N763 PolarHBondContact O-N 3.46Å; N759-N763 PolarHBondContact O-ND2 3.42Å
760Q78.1Confident80.6Confident76 Ų7659.7 Ų59.736%0.35533%0.327SS..Hα-helixtrans-65.3-46.5177.9-72.6169.6-24.100112.6D709 S758 L762 N763 K764D709-Q760 PolarHBondContact OD2-NE2 3.42Å; S758-Q760 PolarHBondContact O-N 3.07Å; Q760-L762 VanDerWaalsContact C-N 3.27Å; Q760-L762 PolarHBondContact O-N 3.09Å; Q760-N763 PolarHBondContact O-N 3.09Å; Q760-K764 PolarHBondContact O-N 3.37Å
761S81.6Confident80.6Confident39 Ų3958.2 Ų58.227%0.27332%0.318SS..Hα-helixtrans-63.9-36.6179.268.80000111.4S758 K764 I765S758-S761 PolarHBondContact N-OG 3.09Å; S758-S761 PolarHBondContact O-N 3.24Å; S758-S761 PolarHBondContact O-OG 3.21Å; S758-S761 VanDerWaalsContact O-OG 3.07Å; S758-S761 PolarHBondContact OG-N 3.03Å; S758-S761 PolarHBondContact OG-OG 2.89Å; S761-K764 PolarHBondContact O-N 2.9Å; S761-I765 WeakPolarHBondContact O-CD1 3.47Å; S761-I765 WeakPolarHBondContact O-CG1 3.32Å; S761-I765 PolarHBondContact O-N 3.02Å
762L83.4Confident80.7Confident1 Ų156.4 Ų56.41%0.00532%0.318CS..Hα-helixtrans-66.1-45.2173.9-74.9168.7000113.3C538 L540 L752 L757 S758 N759 Q760 K764 I765 F766C538-L762 HydrophobicContact CB-CB 4.32Å; L540-L762 HydrophobicContact CD1-CD1 3.67Å; L540-L762 HydrophobicContact CD2-CD1 3.55Å; L540-L762 HydrophobicContact CG-CD1 3.34Å; L752-L762 HydrophobicContact CD1-CD2 3.89Å; L752-L762 HydrophobicContact CD2-CD2 3.95Å; L757-L762 HydrophobicContact CB-CD1 4.21Å; L757-L762 HydrophobicContact CB-CD2 4.29Å; L757-L762 HydrophobicContact CB-CG 4.05Å; L757-L762 HydrophobicContact CD1-CD2 3.88Å; L757-L762 HydrophobicContact CG-CD2 4.45Å; S758-L762 WeakPolarHBondContact O-CG 3.47Å; S758-L762 PolarHBondContact O-N 3.46Å; S758-L762 VanDerWaalsContact O-N 3.1Å; N759-L762 PolarHBondContact O-N 2.89Å; Q760-L762 VanDerWaalsContact C-N 3.27Å; Q760-L762 PolarHBondContact O-N 3.09Å; L762-K764 VanDerWaalsContact C-N 3.26Å; L762-K764 PolarHBondContact O-N 3.33Å; L762-I765 PolarHBondContact O-N 3.41Å; L762-F766 WeakPolarHBondContact O-CB 3.35Å; L762-F766 PolarHBondContact O-N 3.01Å
763N85.6Confident80.9Confident19 Ų1956 Ų5610%0.10232%0.316CS..Hα-helixtrans-57.5-42.4175.2-83-43.7000111.6L537 C538 N759 Q760 T767L537-N763 WeakPolarHBondContact CA-OD1 3.21Å; C538-N763 PolarHBondContact N-OD1 3.41Å; C538-N763 PolarHBondContact O-ND2 2.98Å; C538-N763 PolarHBondContact O-OD1 3.36Å; N759-N763 WeakPolarHBondContact O-CB 3.3Å; N759-N763 PolarHBondContact O-N 3.46Å; N759-N763 PolarHBondContact O-ND2 3.42Å; Q760-N763 PolarHBondContact O-N 3.09Å; N763-T767 VanDerWaalsContact O-CB 3.26Å; N763-T767 WeakPolarHBondContact O-CB 3.19Å; N763-T767 PolarHBondContact O-N 3.27Å; N763-T767 PolarHBondContact O-OG1 3.25Å
764K84.9Confident81.5Confident131 Ų13152.3 Ų52.357%0.5729%0.289SS*.Hα-helixtrans-63.9-49.4175.3-174.5174.3-178.7173.50112Q760 S761 L762 F766 T767 D768Q760-K764 PolarHBondContact O-N 3.37Å; S761-K764 PolarHBondContact O-N 2.9Å; L762-K764 VanDerWaalsContact C-N 3.26Å; L762-K764 PolarHBondContact O-N 3.33Å; K764-F766 VanDerWaalsContact C-N 3.33Å; K764-F766 PolarHBondContact O-N 3.27Å; K764-T767 PolarHBondContact O-N 3.47Å; K764-D768 WeakPolarHBondContact O-CB 3.43Å; K764-D768 VanDerWaalsContact O-CG 3.31Å; K764-D768 PolarHBondContact O-N 2.69Å
765I87.3Confident82.8Confident52 Ų5251.1 Ų51.127%0.26728%0.278SS..Hα-helixtrans-57.6-46.4177.8-71.1163.9000111.2L750 L752 L757 S761 L762 D768 L769L750-I765 HydrophobicContact CD2-CG2 3.37Å; L752-I765 HydrophobicContact CD2-CG2 4.1Å; L757-I765 HydrophobicContact CD2-CD1 4.14Å; S761-I765 WeakPolarHBondContact O-CD1 3.47Å; S761-I765 WeakPolarHBondContact O-CG1 3.32Å; S761-I765 PolarHBondContact O-N 3.02Å; L762-I765 PolarHBondContact O-N 3.41Å; I765-D768 PolarHBondContact O-N 2.66Å; I765-L769 WeakPolarHBondContact O-CB 3.26Å; I765-L769 PolarHBondContact O-N 3.37Å
766F88.8Confident84.5Confident0 Ų048.7 Ų48.70%026%0.256CS..Hα-helixtrans-65.2-39.9179.2178.4-124.9000112.2R536 C538 L595 L762 K764 L769 C770 V796 I804 V806R536-F766 HydrophobicContact CB-CD1 3.93Å; R536-F766 HydrophobicContact CB-CE1 3.75Å; R536-F766 HydrophobicContact CG-CE1 4.22Å; C538-F766 HydrophobicContact CB-CB 4.42Å; L595-F766 HydrophobicContact CD2-CD2 4.48Å; L762-F766 WeakPolarHBondContact O-CB 3.35Å; L762-F766 PolarHBondContact O-N 3.01Å; K764-F766 VanDerWaalsContact C-N 3.33Å; K764-F766 PolarHBondContact O-N 3.27Å; F766-L769 PolarHBondContact O-N 3.49Å; F766-C770 PolarHBondContact O-N 3.19Å; F766-C770 PolarHBondContact O-SG 3.25Å; F766-C770 VanDerWaalsContact O-SG 3.36Å; F766-V796 HydrophobicContact CE2-CG1 4.03Å; F766-V796 HydrophobicContact CZ-CG1 3.96Å; F766-I804 HydrophobicContact CD2-CG2 4.07Å; F766-I804 HydrophobicContact CE2-CG2 4.34Å; F766-V806 HydrophobicContact CE2-CG2 4.04Å
767T88.1Confident85.7Confident18 Ų1841 Ų4111%0.1122%0.215CC..Hα-helixtrans-64.1-47.9175-62.60000111.2R536 N763 K764 L769 C770 E771R536-T767 PolarHBondContact NH1-O 2.96Å; R536-T767 VanDerWaalsContact NH1-O 3.15Å; N763-T767 VanDerWaalsContact O-CB 3.26Å; N763-T767 WeakPolarHBondContact O-CB 3.19Å; N763-T767 PolarHBondContact O-N 3.27Å; N763-T767 PolarHBondContact O-OG1 3.25Å; K764-T767 PolarHBondContact O-N 3.47Å; T767-L769 VanDerWaalsContact C-N 3.3Å; T767-L769 PolarHBondContact O-N 2.61Å; T767-C770 PolarHBondContact O-N 3.04Å; T767-E771 WeakPolarHBondContact O-CG 3.29Å; T767-E771 PolarHBondContact O-N 3.24Å
768D87.9Confident86.5Confident65 Ų6540 Ų4035%0.34821%0.208SC..Hα-helixtrans-60.7-39.6177.9-74.7-23000111.4K764 I765 E771 N772K764-D768 WeakPolarHBondContact O-CB 3.43Å; K764-D768 VanDerWaalsContact O-CG 3.31Å; K764-D768 PolarHBondContact O-N 2.69Å; I765-D768 PolarHBondContact O-N 2.66Å; D768-E771 PolarHBondContact O-N 2.8Å; D768-N772 WeakPolarHBondContact O-CB 3.3Å; D768-N772 PolarHBondContact O-N 3.17Å; D768-N772 PolarHBondContact O-ND2 2.91Å
769L88.8Confident86.9Confident22 Ų2244.2 Ų44.212%0.11522%0.22CC..Hα-helixtrans-58.9-48.8176.2-178.163.3000111.6R748 L750 I765 F766 T767 L773 I804 V806R748-L769 HydrophobicContact CB-CD1 4.23Å; L750-L769 HydrophobicContact CB-CD1 4.19Å; L750-L769 HydrophobicContact CB-CD2 3.98Å; L750-L769 HydrophobicContact CD2-CD2 4.27Å; I765-L769 WeakPolarHBondContact O-CB 3.26Å; I765-L769 PolarHBondContact O-N 3.37Å; F766-L769 PolarHBondContact O-N 3.49Å; T767-L769 VanDerWaalsContact C-N 3.3Å; T767-L769 PolarHBondContact O-N 2.61Å; L769-L773 PolarHBondContact O-N 3.14Å; L769-I804 HydrophobicContact CD2-CG2 3.95Å; L769-V806 HydrophobicContact CD2-CB 4.34Å; L769-V806 HydrophobicContact CD2-CG2 3.51Å; L769-V806 HydrophobicContact CG-CG2 4.09Å
770C88.8Confident87.2Confident0 Ų046.7 Ų46.70%023%0.227CC..Hα-helixtrans-66.5-40.7178.6-65.40000112.3F766 T767 L773 L774 F794F766-C770 PolarHBondContact O-N 3.19Å; F766-C770 PolarHBondContact O-SG 3.25Å; F766-C770 VanDerWaalsContact O-SG 3.36Å; T767-C770 PolarHBondContact O-N 3.04Å; C770-L773 WeakPolarHBondContact O-CB 3.46Å; C770-L774 PolarHBondContact O-N 3.11Å; C770-F794 HydrophobicContact CB-CE1 4.4Å
771E87.9Confident87.7Confident24 Ų2443.7 Ų43.711%0.11221%0.213CC..Hα-helixtrans-67.9-41.4176.9-72.9-153.415800113A717 T767 D768 L773 L774 K775A717-E771 PolarHBondContact N-OE1 2.95Å; A717-E771 VanDerWaalsContact N-OE1 3.09Å; T767-E771 WeakPolarHBondContact O-CG 3.29Å; T767-E771 PolarHBondContact O-N 3.24Å; D768-E771 PolarHBondContact O-N 2.8Å; E771-L773 VanDerWaalsContact C-N 3.25Å; E771-L773 PolarHBondContact O-N 3.18Å; E771-L774 PolarHBondContact O-N 2.9Å; E771-L774 VanDerWaalsContact O-N 3.12Å; E771-K775 WeakPolarHBondContact O-CB 3.43Å; E771-K775 WeakPolarHBondContact O-CG 3.49Å; E771-K775 PolarHBondContact O-N 3.03Å; E771-K775 IonicContact OE2-NZ 3.06Å; E771-K775 PolarHBondContact OE2-NZ 3.04Å
772N88.6Confident88Confident92 Ų9249.7 Ų49.749%0.49223%0.23SC..Hα-helixtrans-65.3-33.7180-73.1-30.2000111.4D768 S776D768-N772 WeakPolarHBondContact O-CB 3.3Å; D768-N772 PolarHBondContact O-N 3.17Å; D768-N772 PolarHBondContact O-ND2 2.91Å; N772-S776 WeakPolarHBondContact O-CB 3.41Å; N772-S776 PolarHBondContact O-N 3.3Å
773L88.9Confident88.2Confident4 Ų454.3 Ų54.32%0.02126%0.263CS..Hα-helixtrans-58.8-50.3168.3-86.8169.6000111.7R748 L769 C770 E771 S776 F777 V806 V808R748-L773 HydrophobicContact CB-CD1 4.21Å; R748-L773 HydrophobicContact CB-CD2 4.23Å; R748-L773 HydrophobicContact CB-CG 4.41Å; R748-L773 HydrophobicContact CG-CD1 4.18Å; R748-L773 HydrophobicContact CG-CD2 3.33Å; R748-L773 HydrophobicContact CG-CG 3.87Å; L769-L773 PolarHBondContact O-N 3.14Å; C770-L773 WeakPolarHBondContact O-CB 3.46Å; E771-L773 VanDerWaalsContact C-N 3.25Å; E771-L773 PolarHBondContact O-N 3.18Å; L773-S776 WeakPolarHBondContact O-CB 3.48Å; L773-S776 PolarHBondContact O-N 3.06Å; L773-F777 VanDerWaalsContact O-CD2 3.24Å; L773-F777 WeakPolarHBondContact O-CD2 3.42Å; L773-F777 PolarHBondContact O-N 3.09Å; L773-F777 VanDerWaalsContact O-N 3.16Å; L773-V806 HydrophobicContact CD1-CB 3.92Å; L773-V806 HydrophobicContact CD1-CG1 3.64Å; L773-V808 HydrophobicContact CD1-CG2 4.04Å
774L88.6Confident88.1Confident14 Ų1455.5 Ų55.57%0.07327%0.269CS..Hα-helixtrans-62.2-45177.1-74.5170.5000112.8L532 C770 E771 S776 F777 Y778 L792 F794L532-L774 HydrophobicContact CD2-CD1 4.42Å; C770-L774 PolarHBondContact O-N 3.11Å; E771-L774 PolarHBondContact O-N 2.9Å; E771-L774 VanDerWaalsContact O-N 3.12Å; L774-S776 VanDerWaalsContact C-N 3.27Å; L774-S776 PolarHBondContact O-N 3.35Å; L774-F777 HydrophobicContact CD2-CD2 4.44Å; L774-F777 WeakPolarHBondContact O-CB 3.28Å; L774-F777 PolarHBondContact O-N 3.11Å; L774-Y778 HydrophobicContact CB-CE2 4.15Å; L774-Y778 VanDerWaalsContact O-CD2 3.32Å; L774-Y778 WeakPolarHBondContact O-CD2 3.47Å; L774-Y778 PolarHBondContact O-N 3.44Å; L774-L792 HydrophobicContact CD2-CD1 4.26Å; L774-L792 HydrophobicContact CD2-CD2 3.59Å; L774-F794 HydrophobicContact CD1-CZ 4.05Å; L774-F794 HydrophobicContact CD2-CZ 4Å; L774-F794 HydrophobicContact CG-CZ 3.96Å
775K89.4Confident88.2Confident89 Ų8952.8 Ų52.839%0.38726%0.26SS..Hα-helixtrans-58.9-39.5176.2-71.3167.6-170.8158.40111.5E771 F777 Y778 F779E771-K775 WeakPolarHBondContact O-CB 3.43Å; E771-K775 WeakPolarHBondContact O-CG 3.49Å; E771-K775 PolarHBondContact O-N 3.03Å; E771-K775 IonicContact OE2-NZ 3.06Å; E771-K775 PolarHBondContact OE2-NZ 3.04Å; K775-F777 VanDerWaalsContact C-N 3.34Å; K775-F777 PolarHBondContact O-N 3.47Å; K775-Y778 PolarHBondContact O-N 2.91Å; K775-F779 WeakPolarHBondContact O-CB 3.18Å; K775-F779 PolarHBondContact O-N 3.19Å
776S88.7Confident88.2Confident33 Ų3351.6 Ų51.623%0.23126%0.256CS..Hα-helixtrans-60.6-41.7174-177.80000111.8N772 L773 L774 F779 K780N772-S776 WeakPolarHBondContact O-CB 3.41Å; N772-S776 PolarHBondContact O-N 3.3Å; L773-S776 WeakPolarHBondContact O-CB 3.48Å; L773-S776 PolarHBondContact O-N 3.06Å; L774-S776 VanDerWaalsContact C-N 3.27Å; L774-S776 PolarHBondContact O-N 3.35Å; S776-F779 PolarHBondContact O-N 2.97Å; S776-K780 WeakPolarHBondContact O-CB 3.4Å; S776-K780 VanDerWaalsContact O-CG 3.28Å; S776-K780 WeakPolarHBondContact O-CG 3.49Å; S776-K780 PolarHBondContact O-N 3.46Å
777F88.4Confident88.2Confident7 Ų751.6 Ų51.63%0.03126%0.256CS..Hα-helixtrans-65.7-46.5175-62.4-48.5000112.5F744 L773 L774 K775 F779 K780 L781 L789 V808F744-F777 AromaticContact CD2-CD1 3.57Å; F744-F777 HydrophobicContact CD2-CD1 3.57Å; F744-F777 HydrophobicContact CD2-CD2 4.45Å; F744-F777 AromaticContact CD2-CE1 3.24Å; F744-F777 HydrophobicContact CD2-CE1 3.24Å; F744-F777 HydrophobicContact CD2-CE2 4.19Å; F744-F777 HydrophobicContact CD2-CG 4.17Å; F744-F777 AromaticContact CD2-CZ 3.58Å; F744-F777 HydrophobicContact CD2-CZ 3.58Å; F744-F777 HydrophobicContact CE2-CB 4.43Å; F744-F777 AromaticContact CE2-CD1 3.56Å; F744-F777 HydrophobicContact CE2-CD1 3.56Å; F744-F777 AromaticContact CE2-CD2 3.76Å; F744-F777 HydrophobicContact CE2-CD2 3.76Å; F744-F777 AromaticContact CE2-CE1 3.56Å; F744-F777 HydrophobicContact CE2-CE1 3.56Å; F744-F777 AromaticContact CE2-CE2 3.77Å; F744-F777 HydrophobicContact CE2-CE2 3.77Å; F744-F777 AromaticContact CE2-CG 3.66Å; F744-F777 HydrophobicContact CE2-CG 3.66Å; F744-F777 AromaticContact CE2-CZ 3.65Å; F744-F777 HydrophobicContact CE2-CZ 3.65Å; F744-F777 HydrophobicContact CG-CD1 4.33Å; F744-F777 HydrophobicContact CG-CE1 4.18Å; F744-F777 HydrophobicContact CZ-CD1 4.34Å; F744-F777 HydrophobicContact CZ-CG 4.25Å; L773-F777 VanDerWaalsContact O-CD2 3.24Å; L773-F777 WeakPolarHBondContact O-CD2 3.42Å; L773-F777 PolarHBondContact O-N 3.09Å; L773-F777 VanDerWaalsContact O-N 3.16Å; L774-F777 HydrophobicContact CD2-CD2 4.44Å; L774-F777 WeakPolarHBondContact O-CB 3.28Å; L774-F777 PolarHBondContact O-N 3.11Å; K775-F777 VanDerWaalsContact C-N 3.34Å; K775-F777 PolarHBondContact O-N 3.47Å; F777-F779 VanDerWaalsContact C-N 3.27Å; F777-F779 PolarHBondContact O-N 3.34Å; F777-K780 PolarHBondContact O-N 2.93Å; F777-L781 WeakPolarHBondContact O-CB 3.49Å; F777-L781 WeakPolarHBondContact O-CG 3.49Å; F777-L781 PolarHBondContact O-N 3.37Å; F777-L789 HydrophobicContact CB-CD1 4.29Å; F777-V808 HydrophobicContact CE2-CB 4.02Å; F777-V808 HydrophobicContact CE2-CG1 3.79Å; F777-V808 HydrophobicContact CZ-CB 4.19Å; F777-V808 HydrophobicContact CZ-CG1 4.28Å
778Y89.7Confident88.2Confident24 Ų2450.8 Ų50.89%0.09425%0.25CS..Hα-helixtrans-58.6-41.3176.5-58.7-40.7000111.9P719 P720 F723 T725 L774 K775 L781 R782 L789P719-Y778 HydrophobicContact CB-CE1 4.44Å; P719-Y778 HydrophobicContact CB-CE2 4.43Å; P720-Y778 HydrophobicContact CG-CD2 4.13Å; P720-Y778 HydrophobicContact CG-CG 4.18Å; F723-Y778 HydrophobicContact CB-CD1 4.18Å; F723-Y778 HydrophobicContact CB-CE1 4.21Å; F723-Y778 AromaticContact CD1-CD1 3.84Å; F723-Y778 HydrophobicContact CD1-CD1 3.84Å; F723-Y778 HydrophobicContact CD1-CE1 4.41Å; F723-Y778 HydrophobicContact CD2-CD1 4.38Å; F723-Y778 HydrophobicContact CE1-CD1 4.27Å; F723-Y778 AromaticContact CG-CD1 3.89Å; F723-Y778 HydrophobicContact CG-CD1 3.89Å; F723-Y778 HydrophobicContact CG-CE1 4.39Å; F723-Y778 WeakPolarHBondContact CZ-O 3.23Å; T725-Y778 HydrophobicContact CG2-CE1 3.64Å; T725-Y778 WeakPolarHBondContact CG2-OH 3.1Å; L774-Y778 HydrophobicContact CB-CE2 4.15Å; L774-Y778 VanDerWaalsContact O-CD2 3.32Å; L774-Y778 WeakPolarHBondContact O-CD2 3.47Å; L774-Y778 PolarHBondContact O-N 3.44Å; K775-Y778 PolarHBondContact O-N 2.91Å; Y778-L781 PolarHBondContact O-N 2.98Å; Y778-R782 PolarHBondContact O-N 3.41Å; Y778-R782 VanDerWaalsContact O-N 3.09Å; Y778-L789 HydrophobicContact CD1-CD1 4.18Å; Y778-L789 HydrophobicContact CE1-CD1 3.77Å
779F89.6Confident88.4Confident144 Ų14447.7 Ų47.763%0.63223%0.234SC*.Hα-helixtrans-65-43.8176.7-179-98.1000112.3K775 S776 F777 L781 R782K775-F779 WeakPolarHBondContact O-CB 3.18Å; K775-F779 PolarHBondContact O-N 3.19Å; S776-F779 PolarHBondContact O-N 2.97Å; F777-F779 VanDerWaalsContact C-N 3.27Å; F777-F779 PolarHBondContact O-N 3.34Å; F779-L781 VanDerWaalsContact C-N 3.32Å; F779-L781 PolarHBondContact O-N 3.37Å; F779-R782 WeakPolarHBondContact O-CD 3.36Å; F779-R782 WeakPolarHBondContact O-CG 3.48Å
780K88.4Confident88.6Confident127 Ų12746.6 Ų46.655%0.55223%0.228SC*.Hα-helixtrans-64.5-36.5177.6-74.9175.6-178.6-175.60112.3S776 F777S776-K780 WeakPolarHBondContact O-CB 3.4Å; S776-K780 VanDerWaalsContact O-CG 3.28Å; S776-K780 WeakPolarHBondContact O-CG 3.49Å; S776-K780 PolarHBondContact O-N 3.46Å; F777-K780 PolarHBondContact O-N 2.93Å
781L87.7Confident88.7Confident13 Ų1348.8 Ų48.87%0.06824%0.238CC..THydrogen-bonded Turntrans-96.37.8-173.9-64.7167.6000113.9F723 F744 F777 Y778 F779 S783 N784 L789 A812F723-L781 HydrophobicContact CE1-CB 3.87Å; F723-L781 HydrophobicContact CZ-CB 4.2Å; F744-L781 HydrophobicContact CE1-CD1 3.97Å; F744-L781 HydrophobicContact CZ-CD1 4.41Å; F777-L781 WeakPolarHBondContact O-CB 3.49Å; F777-L781 WeakPolarHBondContact O-CG 3.49Å; F777-L781 PolarHBondContact O-N 3.37Å; Y778-L781 PolarHBondContact O-N 2.98Å; F779-L781 VanDerWaalsContact C-N 3.32Å; F779-L781 PolarHBondContact O-N 3.37Å; L781-S783 PolarHBondContact O-N 3.12Å; L781-N784 WeakPolarHBondContact O-CB 3.4Å; L781-N784 PolarHBondContact O-N 2.82Å; L781-L789 HydrophobicContact CD1-CD2 3.48Å; L781-L789 VanDerWaalsContact CD1-CD2 3.48Å; L781-A812 HydrophobicContact CD1-CB 3.75Å; L781-A812 HydrophobicContact CD2-CB 3.9Å; L781-A812 HydrophobicContact CG-CB 4.47Å
782R88.4Confident88.9Confident164 Ų16447.7 Ų47.762%0.61923%0.233SC*.G310 helixtrans-58.3-22.1-177.870.4-170.4177.487.32.8114.7Y778 F779 N784 I785Y778-R782 PolarHBondContact O-N 3.41Å; Y778-R782 VanDerWaalsContact O-N 3.09Å; F779-R782 WeakPolarHBondContact O-CD 3.36Å; F779-R782 WeakPolarHBondContact O-CG 3.48Å; R782-N784 VanDerWaalsContact C-N 3.3Å; R782-I785 WeakPolarHBondContact O-CD1 3.5Å; R782-I785 WeakPolarHBondContact O-CG1 3.3Å
783S86.9Confident89.1Confident99 Ų9944.6 Ų44.669%0.69222%0.217SC*.G310 helixtrans-77.4-16.1174.5570000113.7L781L781-S783 PolarHBondContact O-N 3.12Å
784N84.9Confident89.2Confident43 Ų4344.4 Ų44.423%0.2322%0.216CC..G310 helixtrans-100.713.8-173.2-59.9-10.7000111.9Q742 L781 R782 P786 C787 T814Q742-N784 PolarHBondContact OE1-ND2 2.84Å; L781-N784 WeakPolarHBondContact O-CB 3.4Å; L781-N784 PolarHBondContact O-N 2.82Å; R782-N784 VanDerWaalsContact C-N 3.3Å; N784-P786 CarbonylContact O-C 3.59Å; N784-P786 VanDerWaalsContact O-O 3.07Å; N784-C787 HydrophobicContact CB-CB 4.44Å; N784-C787 WeakPolarHBondContact O-CB 3.24Å; N784-T814 HydrophobicContact CB-CG2 3.98Å; N784-T814 VanDerWaalsContact O-CG2 3.22Å; N784-T814 WeakPolarHBondContact O-CG2 3.44Å
785I85.8Confident89.4Confident75 Ų7545.1 Ų45.139%0.38522%0.22SC..  trans-69.2133179-61172.3000109.1F723 R782F723-I785 HydrophobicContact CD2-CD1 4.19Å; F723-I785 HydrophobicContact CD2-CG1 4.2Å; F723-I785 HydrophobicContact CE1-CG1 4.46Å; F723-I785 HydrophobicContact CE2-CD1 3.52Å; F723-I785 HydrophobicContact CE2-CG1 3.57Å; F723-I785 HydrophobicContact CZ-CD1 4.1Å; F723-I785 HydrophobicContact CZ-CG1 3.73Å; R782-I785 WeakPolarHBondContact O-CD1 3.5Å; R782-I785 WeakPolarHBondContact O-CG1 3.3Å
786P87.3Confident89.5Confident27 Ų2741 Ų4118%0.17520%0.203CC..SBendcis-76.9132.80.831.7-35.1000113.9N784 F815 K817N784-P786 CarbonylContact O-C 3.59Å; N784-P786 VanDerWaalsContact O-O 3.07Å; P786-F815 HydrophobicContact CB-CE1 3.9Å; P786-F815 HydrophobicContact CB-CE2 4.05Å; P786-F815 HydrophobicContact CB-CZ 3.65Å; P786-F815 HydrophobicContact CG-CE2 4.36Å; P786-F815 HydrophobicContact CG-CZ 4.4Å; P786-F815 WeakPolarHBondContact CG-O 3.34Å; P786-K817 HydrophobicContact CB-CD 4.48Å; P786-K817 HydrophobicContact CG-CD 4.08Å; P786-K817 HydrophobicContact CG-CG 4.04Å
787C88.6Confident89.6Confident0 Ų040.9 Ų40.90%020%0.204CC..EExtended strand (participates in β ladder)trans-133.1143.5-173.2-174.50000111.2G722 F723 Y724 N784G722-C787 PolarHBondContact O-N 3.06Å; G722-C787 VanDerWaalsContact O-N 3.13Å; F723-C787 WeakPolarHBondContact CA-O 3.5Å; F723-C787 HydrophobicContact CD1-CB 3.91Å; F723-C787 HydrophobicContact CE1-CB 3.8Å; Y724-C787 PolarHBondContact N-O 3.36Å; Y724-C787 VanDerWaalsContact N-O 3.09Å; N784-C787 HydrophobicContact CB-CB 4.44Å; N784-C787 WeakPolarHBondContact O-CB 3.24Å
788C89.9Confident89.7Confident0 Ų041.3 Ų41.30%021%0.207CC..EExtended strand (participates in β ladder)trans-120.7126.5173.6-166.60000110.5Y724 M731 W737 C790 A812 M813Y724-C788 CarbonylContact O-C 3.6Å; Y724-C788 VanDerWaalsContact O-CA 3.31Å; Y724-C788 WeakPolarHBondContact O-CA 3.17Å; M731-C788 VanDerWaalsContact CB-SG 3.53Å; M731-C788 WeakPolarHBondContact CE-SG 3.38Å; W737-C788 HydrophobicContact CH2-CB 3.84Å; W737-C788 HydrophobicContact CZ3-CB 3.68Å; C788-C790 PolarHBondContact SG-SG 3.05Å; C788-A812 WeakPolarHBondContact O-CA 3.46Å; C788-M813 PolarHBondContact N-O 3.45Å; C788-M813 PolarHBondContact O-N 3.24Å
789L91.9Very high89.5Confident0 Ų042.1 Ų42.10%022%0.215CC..EExtended strand (participates in β ladder)trans-88.9111.7168.5-53.8-175000108.7Y724 T725 C726 F744 F777 Y778 L781 V811 A812Y724-L789 PolarHBondContact O-N 3.48Å; T725-L789 CarbonylContact C-O 3.57Å; T725-L789 WeakPolarHBondContact CA-O 3.28Å; T725-L789 HydrophobicContact CG2-CB 3.9Å; T725-L789 HydrophobicContact CG2-CD1 3.91Å; T725-L789 HydrophobicContact CG2-CG 4.08Å; C726-L789 PolarHBondContact N-O 3.16Å; F744-L789 HydrophobicContact CE1-CD2 3.79Å; F744-L789 HydrophobicContact CZ-CD1 4.27Å; F744-L789 HydrophobicContact CZ-CD2 3.67Å; F744-L789 HydrophobicContact CZ-CG 4.45Å; F777-L789 HydrophobicContact CB-CD1 4.29Å; Y778-L789 HydrophobicContact CD1-CD1 4.18Å; Y778-L789 HydrophobicContact CE1-CD1 3.77Å; L781-L789 HydrophobicContact CD1-CD2 3.48Å; L781-L789 VanDerWaalsContact CD1-CD2 3.48Å; L789-V811 CarbonylContact C-O 3.53Å; L789-V811 VanDerWaalsContact CA-O 3.3Å; L789-V811 WeakPolarHBondContact CA-O 3.32Å; L789-A812 HydrophobicContact CD2-CB 3.94Å
790C91.8Very high89.2Confident0 Ų037.9 Ų37.90%020%0.197CC..EExtended strand (participates in β ladder)trans-113161.8178.1-52.60000110.8C726 C788 L792 V811 M813C726-C790 VanDerWaalsContact SG-SG 3.62Å; C788-C790 PolarHBondContact SG-SG 3.05Å; C790-L792 PolarHBondContact O-N 3.49Å; C790-V811 PolarHBondContact N-O 3.27Å; C790-V811 PolarHBondContact O-N 2.94Å; C790-M813 HydrophobicContact CB-CE 3.67Å; C790-M813 WeakPolarHBondContact SG-CE 3.41Å
791H91.6Very high88.8Confident46 Ų4635.4 Ų35.421%0.21319%0.188CC..EExtended strand (participates in β ladder)trans48.847.6-176.6-161.186.5000112.6C726 N727 T728 N793 T809 P905 L906C726-H791 PolarHBondContact O-N 3.08Å; N727-H791 WeakPolarHBondContact O-CA 3.41Å; T728-H791 PolarHBondContact O-N 3.46Å; H791-N793 PolarHBondContact O-N 3.37Å; H791-T809 VanDerWaalsContact O-O 3.07Å; H791-P905 HydrophobicContact CB-CG 4.45Å; H791-L906 HydrophobicContact CB-CD2 3.76Å
792L91.8Very high88.6Confident0 Ų036.9 Ų36.90%020%0.195CC..EExtended strand (participates in β ladder)trans-79.286.2-178.8-173.673.5000111L532 C726 N727 L774 C790 F794 V808 A810L532-L792 HydrophobicContact CD1-CD2 4.26Å; L532-L792 HydrophobicContact CD2-CD2 3.45Å; L532-L792 VanDerWaalsContact CD2-CD2 3.45Å; L532-L792 HydrophobicContact CG-CD2 4.41Å; C726-L792 WeakPolarHBondContact O-CB 3.37Å; C726-L792 PolarHBondContact O-N 3.48Å; N727-L792 PolarHBondContact OD1-O 2.91Å; L774-L792 HydrophobicContact CD2-CD1 4.26Å; L774-L792 HydrophobicContact CD2-CD2 3.59Å; C790-L792 PolarHBondContact O-N 3.49Å; L792-F794 HydrophobicContact CD1-CE2 4.22Å; L792-F794 HydrophobicContact CD2-CD2 4.5Å; L792-F794 HydrophobicContact CD2-CE2 3.5Å; L792-F794 HydrophobicContact CD2-CZ 4.11Å; L792-F794 HydrophobicContact CG-CD2 4.13Å; L792-F794 HydrophobicContact CG-CE2 3.51Å; L792-F794 HydrophobicContact CG-CZ 4.32Å; L792-V808 HydrophobicContact CD1-CG1 3.46Å; L792-V808 VanDerWaalsContact CD1-CG1 3.46Å; L792-V808 HydrophobicContact CG-CG1 4.31Å; L792-A810 HydrophobicContact CB-CB 4.26Å; L792-A810 HydrophobicContact CD1-CB 3.35Å; L792-A810 HydrophobicContact CG-CB 4.38Å
793N91.8Very high88.6Confident28 Ų2829.2 Ų29.215%0.1517%0.166CC..EExtended strand (participates in β ladder)trans-93.5123.2-179.3-17317.6000111H791 V808 T809H791-N793 PolarHBondContact O-N 3.37Å; N793-V808 WeakPolarHBondContact O-CA 3.31Å; N793-T809 PolarHBondContact N-O 3.38Å; N793-T809 PolarHBondContact O-N 2.73Å
794F92.2Very high88.8Confident0 Ų024.5 Ų24.50%013%0.133CC..EExtended strand (participates in β ladder)trans-105.5130.2175.7-73.8-107.5000109.5L532 L597 C770 L774 L792 V806 S807 V808L532-F794 HydrophobicContact CD2-CE2 4.44Å; L597-F794 HydrophobicContact CD2-CB 3.36Å; L597-F794 HydrophobicContact CD2-CG 4.18Å; C770-F794 HydrophobicContact CB-CE1 4.4Å; L774-F794 HydrophobicContact CD1-CZ 4.05Å; L774-F794 HydrophobicContact CD2-CZ 4Å; L774-F794 HydrophobicContact CG-CZ 3.96Å; L792-F794 HydrophobicContact CD1-CE2 4.22Å; L792-F794 HydrophobicContact CD2-CD2 4.5Å; L792-F794 HydrophobicContact CD2-CE2 3.5Å; L792-F794 HydrophobicContact CD2-CZ 4.11Å; L792-F794 HydrophobicContact CG-CD2 4.13Å; L792-F794 HydrophobicContact CG-CE2 3.51Å; L792-F794 HydrophobicContact CG-CZ 4.32Å; F794-V806 HydrophobicContact CD1-CG1 4.07Å; F794-S807 WeakPolarHBondContact CA-O 3.11Å; F794-V808 HydrophobicContact CD1-CG2 3.41Å; F794-V808 VanDerWaalsContact CD1-CG2 3.41Å; F794-V808 HydrophobicContact CE1-CG1 4.45Å; F794-V808 HydrophobicContact CE1-CG2 3.46Å; F794-V808 VanDerWaalsContact CE1-CG2 3.46Å; F794-V808 HydrophobicContact CE2-CG1 4.43Å; F794-V808 HydrophobicContact CG-CG2 4.06Å; F794-V808 HydrophobicContact CZ-CG1 4.37Å; F794-V808 HydrophobicContact CZ-CG2 4.17Å
795T91.8Very high89.1Confident28 Ų2822.7 Ų22.717%0.17212%0.123CC..EExtended strand (participates in β ladder)trans-118.1132.9171.462.70000110.3S807T795-S807 PolarHBondContact N-O 3.38Å; T795-S807 PolarHBondContact O-N 3.24Å; T795-S807 VanDerWaalsContact OG1-CB 3.27Å; T795-S807 WeakPolarHBondContact OG1-CB 2.77Å
796V92.4Very high89.4Confident3 Ų319.1 Ų19.12%0.01811%0.105CC..EExtended strand (participates in β ladder)trans-118.2139.9-179.2-62.30000111.4Q586 L597 F766 Q805 V806Q586-V796 HydrophobicContact CG-CG2 4.31Å; Q586-V796 PolarHBondContact NE2-O 3.12Å; L597-V796 HydrophobicContact CB-CG1 4.29Å; L597-V796 HydrophobicContact CB-CG2 4.11Å; L597-V796 HydrophobicContact CD2-CG1 3.65Å; F766-V796 HydrophobicContact CE2-CG1 4.03Å; F766-V796 HydrophobicContact CZ-CG1 3.96Å; V796-Q805 WeakPolarHBondContact CA-O 3.12Å; V796-V806 HydrophobicContact CG1-CG1 4.46Å; V796-V806 HydrophobicContact CG1-CG2 4.23Å
797A90.9Very high89.6Confident31 Ų3117.9 Ų17.926%0.25610%0.097SC..EExtended strand (participates in β ladder)trans-141.5154.4176.900000110.3S588 P799 Q805S588-A797 WeakPolarHBondContact OG-CA 3.44Å; A797-P799 WeakPolarHBondContact O-CD 3.46Å; A797-Q805 HydrophobicContact CB-CB 4.34Å; A797-Q805 PolarHBondContact N-O 2.93Å; A797-Q805 PolarHBondContact O-N 3.32Å
798V90.6Very high89.8Confident15 Ų1517.9 Ų17.99%0.09110%0.097CC..EExtended strand (participates in β ladder)trans-117.586.7170.9-173.20000107.6S588 M593 L595 E800 L803S588-V798 PolarHBondContact OG-N 2.85Å; M593-V798 HydrophobicContact CE-CG1 4.08Å; M593-V798 HydrophobicContact CG-CG1 4.1Å; M593-V798 HydrophobicContact CG-CG2 4.21Å; M593-V798 HydrophobicContact SD-CG1 4.24Å; M593-V798 HydrophobicContact SD-CG2 4.46Å; L595-V798 HydrophobicContact CD1-CG2 3.35Å; L595-V798 HydrophobicContact CG-CG2 3.68Å; V798-E800 VanDerWaalsContact C-N 3.34Å; V798-E800 WeakPolarHBondContact CG1-O 3.48Å; V798-E800 PolarHBondContact O-N 3.4Å; V798-L803 WeakPolarHBondContact CA-O 3.38Å; V798-L803 WeakPolarHBondContact CG1-O 3.19Å
799P84.3Confident89.9Confident42 Ų4218.3 Ų18.327%0.27310%0.099SC..EExtended strand (participates in β ladder)trans-69.4-31.7-173.4-18.531.6000113.5A797 L803 Q805 L975A797-P799 WeakPolarHBondContact O-CD 3.46Å; P799-L803 VanDerWaalsContact CD-O 3.3Å; P799-L803 WeakPolarHBondContact CD-O 3.36Å; P799-Q805 HydrophobicContact CG-CB 3.92Å; P799-L975 VanDerWaalsContact CB-O 3.31Å; P799-L975 WeakPolarHBondContact CB-O 3.5Å
800E83.3Confident89.9Confident54 Ų5418.3 Ų18.325%0.25210%0.099SC..EExtended strand (participates in β ladder)trans-143168.8-180-65.7178.8-159.900110.2V798 E802 L803 E977V798-E800 VanDerWaalsContact C-N 3.34Å; V798-E800 WeakPolarHBondContact CG1-O 3.48Å; V798-E800 PolarHBondContact O-N 3.4Å; E800-E802 PolarHBondContact O-N 3.18Å; E800-L803 HydrophobicContact CB-CB 4.21Å; E800-L803 HydrophobicContact CB-CD1 3.95Å; E800-L803 HydrophobicContact CB-CG 4.01Å; E800-L803 HydrophobicContact CG-CD1 3.98Å; E800-L803 PolarHBondContact O-N 3.42Å; E800-L803 VanDerWaalsContact O-N 3.1Å; E800-E977 WeakPolarHBondContact OE1-CA 3.49Å; E800-E977 WeakPolarHBondContact OE1-CB 3.39Å; E800-E977 PolarHBondContact OE1-N 3.35Å; E800-E977 VanDerWaalsContact OE1-N 3.13Å
801E80.9Confident90Very high75 Ų7518.3 Ų18.335%0.3510%0.099SC..THydrogen-bonded Turntrans-49.7-31.7-177.9-61.8-164.9-135.700114.8K543 E591 N592 M593K543-E801 IonicContact NZ-OE1 2.96Å; K543-E801 PolarHBondContact NZ-OE1 3.41Å; K543-E801 IonicContact NZ-OE2 2.73Å; K543-E801 PolarHBondContact NZ-OE2 2.99Å; E591-E801 HydrophobicContact CB-CG 4.02Å; E591-E801 HydrophobicContact CG-CG 4.12Å; E591-E801 WeakPolarHBondContact OE2-CG 3.25Å; E591-E801 VanDerWaalsContact OE2-OE1 3.05Å; N592-E801 PolarHBondContact ND2-OE2 2.99Å; M593-E801 WeakPolarHBondContact CE-O 3.48Å
802E83.6Confident90Very high45 Ų4516.2 Ų16.221%0.219%0.09CC..THydrogen-bonded Turntrans-115.43.2-174.3-62.4175.5-17800113.3R751 L752 N754 E800R751-E802 CarbonylContact C-O 3.53Å; R751-E802 WeakPolarHBondContact CA-O 3.46Å; R751-E802 HydrophobicContact CG-CB 4.35Å; R751-E802 IonicContact CZ-OE2 3.49Å; R751-E802 IonicContact NE-OE2 2.63Å; R751-E802 PolarHBondContact NE-OE2 3.41Å; R751-E802 IonicContact NH2-OE2 2.9Å; R751-E802 PolarHBondContact NH2-OE2 2.96Å; L752-E802 PolarHBondContact N-O 3.3Å; N754-E802 PolarHBondContact ND2-OE1 3.48Å; N754-E802 PolarHBondContact OD1-OE1 3.4Å; E800-E802 PolarHBondContact O-N 3.18Å
803L88Confident89.9Confident3 Ų316.2 Ų16.22%0.0169%0.09CC..EExtended strand (participates in β ladder)trans-110.9123.3-171.6-64.1-176.1000111.3V749 L750 R751 V798 P799 E800V749-L803 HydrophobicContact CG1-CB 4.41Å; V749-L803 HydrophobicContact CG1-CD1 4.41Å; V749-L803 HydrophobicContact CG1-CD2 4.11Å; L750-L803 WeakPolarHBondContact O-CA 3.46Å; R751-L803 HydrophobicContact CB-CD2 3.68Å; R751-L803 HydrophobicContact CG-CD2 3.83Å; V798-L803 WeakPolarHBondContact CA-O 3.38Å; V798-L803 WeakPolarHBondContact CG1-O 3.19Å; P799-L803 VanDerWaalsContact CD-O 3.3Å; P799-L803 WeakPolarHBondContact CD-O 3.36Å; E800-L803 HydrophobicContact CB-CB 4.21Å; E800-L803 HydrophobicContact CB-CD1 3.95Å; E800-L803 HydrophobicContact CB-CG 4.01Å; E800-L803 HydrophobicContact CG-CD1 3.98Å; E800-L803 PolarHBondContact O-N 3.42Å; E800-L803 VanDerWaalsContact O-N 3.1Å
804I91.2Very high89.7Confident0 Ų016.4 Ų16.40%09%0.092CC..EExtended strand (participates in β ladder)trans-105.4121.7167-62179.5000108M593 L595 V749 L750 L752 F766 L769 V806M593-I804 HydrophobicContact SD-CD1 4.21Å; M593-I804 HydrophobicContact SD-CG1 4.06Å; L595-I804 HydrophobicContact CD1-CG1 4.33Å; L595-I804 HydrophobicContact CD1-CG2 3.91Å; L595-I804 HydrophobicContact CD2-CD1 4.32Å; V749-I804 WeakPolarHBondContact CA-O 3.49Å; L750-I804 PolarHBondContact N-O 3.49Å; L750-I804 PolarHBondContact O-N 2.98Å; L752-I804 HydrophobicContact CD1-CD1 4.05Å; L752-I804 HydrophobicContact CD1-CG1 4.19Å; L752-I804 HydrophobicContact CD2-CD1 4.11Å; L752-I804 HydrophobicContact CG-CD1 4.36Å; L752-I804 HydrophobicContact CG-CG1 4.47Å; F766-I804 HydrophobicContact CD2-CG2 4.07Å; F766-I804 HydrophobicContact CE2-CG2 4.34Å; L769-I804 HydrophobicContact CD2-CG2 3.95Å; I804-V806 HydrophobicContact CG2-CG2 4.2Å
805Q91.8Very high89.3Confident4 Ų417.2 Ų17.22%0.01910%0.096CC..EExtended strand (participates in β ladder)trans-107129.8173.5-177.8-179.5-53.700110.2V747 R748 V749 V796 A797 P799 C973V747-Q805 HydrophobicContact CG1-CG 3.88Å; R748-Q805 WeakPolarHBondContact O-CA 3.39Å; V749-Q805 HydrophobicContact CG2-CB 4.29Å; V749-Q805 HydrophobicContact CG2-CG 4Å; V796-Q805 WeakPolarHBondContact CA-O 3.12Å; A797-Q805 HydrophobicContact CB-CB 4.34Å; A797-Q805 PolarHBondContact N-O 2.93Å; A797-Q805 PolarHBondContact O-N 3.32Å; P799-Q805 HydrophobicContact CG-CB 3.92Å; Q805-C973 PolarHBondContact NE2-O 2.86Å
806V92.6Very high88.8Confident0 Ų021 Ų210%012%0.115CC..EExtended strand (participates in β ladder)trans-124.8119.8172.1-1760000108.5R748 F766 L769 L773 F794 V796 I804 V808R748-V806 PolarHBondContact N-O 2.94Å; R748-V806 PolarHBondContact O-N 2.98Å; F766-V806 HydrophobicContact CE2-CG2 4.04Å; L769-V806 HydrophobicContact CD2-CB 4.34Å; L769-V806 HydrophobicContact CD2-CG2 3.51Å; L769-V806 HydrophobicContact CG-CG2 4.09Å; L773-V806 HydrophobicContact CD1-CB 3.92Å; L773-V806 HydrophobicContact CD1-CG1 3.64Å; F794-V806 HydrophobicContact CD1-CG1 4.07Å; V796-V806 HydrophobicContact CG1-CG1 4.46Å; V796-V806 HydrophobicContact CG1-CG2 4.23Å; I804-V806 HydrophobicContact CG2-CG2 4.2Å; V806-V808 HydrophobicContact CG1-CG2 4.26Å
807S91.7Very high87.6Confident1 Ų127.1 Ų27.11%0.00714%0.141CC..EExtended strand (participates in β ladder)trans-109.6139.9172-42.20000109.7S746 F794 T795S746-S807 CarbonylContact O-C 3.53Å; S746-S807 WeakPolarHBondContact O-CA 3.46Å; F794-S807 WeakPolarHBondContact CA-O 3.11Å; T795-S807 PolarHBondContact N-O 3.38Å; T795-S807 PolarHBondContact O-N 3.24Å; T795-S807 VanDerWaalsContact OG1-CB 3.27Å; T795-S807 WeakPolarHBondContact OG1-CB 2.77Å
808V92.6Very high85.6Confident0 Ų032.4 Ų32.40%017%0.165CC..EExtended strand (participates in β ladder)trans-129.8129.3178.7-174.10000109.2T745 S746 L773 F777 L792 N793 F794 V806T745-V808 CarbonylContact C-O 3.54Å; T745-V808 VanDerWaalsContact CA-O 3.31Å; T745-V808 WeakPolarHBondContact CA-O 3.24Å; S746-V808 PolarHBondContact N-O 2.97Å; S746-V808 PolarHBondContact O-N 3.14Å; L773-V808 HydrophobicContact CD1-CG2 4.04Å; F777-V808 HydrophobicContact CE2-CB 4.02Å; F777-V808 HydrophobicContact CE2-CG1 3.79Å; F777-V808 HydrophobicContact CZ-CB 4.19Å; F777-V808 HydrophobicContact CZ-CG1 4.28Å; L792-V808 HydrophobicContact CD1-CG1 3.46Å; L792-V808 VanDerWaalsContact CD1-CG1 3.46Å; L792-V808 HydrophobicContact CG-CG1 4.31Å; N793-V808 WeakPolarHBondContact O-CA 3.31Å; F794-V808 HydrophobicContact CD1-CG2 3.41Å; F794-V808 VanDerWaalsContact CD1-CG2 3.41Å; F794-V808 HydrophobicContact CE1-CG1 4.45Å; F794-V808 HydrophobicContact CE1-CG2 3.46Å; F794-V808 VanDerWaalsContact CE1-CG2 3.46Å; F794-V808 HydrophobicContact CE2-CG1 4.43Å; F794-V808 HydrophobicContact CG-CG2 4.06Å; F794-V808 HydrophobicContact CZ-CG1 4.37Å; F794-V808 HydrophobicContact CZ-CG2 4.17Å; V806-V808 HydrophobicContact CG1-CG2 4.26Å
809T91.7Very high83.4Confident9 Ų940 Ų406%0.05520%0.2CC..EExtended strand (participates in β ladder)trans-116.6134.3169.953.80000108.6T745 H791 N793 M970T745-T809 HydrophobicContact CG2-CG2 3.81Å; H791-T809 VanDerWaalsContact O-O 3.07Å; N793-T809 PolarHBondContact N-O 3.38Å; N793-T809 PolarHBondContact O-N 2.73Å; T809-M970 HydrophobicContact CG2-CB 4.32Å
810A92.1Very high81Confident0 Ų044 Ų440%022%0.224CC..EExtended strand (participates in β ladder)trans-160.5170.3177.200000112.9M743 F744 L792M743-A810 WeakPolarHBondContact CA-O 3.49Å; F744-A810 HydrophobicContact CD2-CB 4.17Å; F744-A810 HydrophobicContact CE1-CB 4.05Å; F744-A810 HydrophobicContact CE2-CB 3.34Å; F744-A810 HydrophobicContact CZ-CB 3.28Å; F744-A810 PolarHBondContact N-O 3.36Å; F744-A810 PolarHBondContact O-N 3.15Å; L792-A810 HydrophobicContact CB-CB 4.26Å; L792-A810 HydrophobicContact CD1-CB 3.35Å; L792-A810 HydrophobicContact CG-CB 4.38Å
811V92.5Very high78.6Confident0 Ų050.1 Ų50.10%025%0.252CS..EExtended strand (participates in β ladder)trans-122.7129.2175.5179.30000110.6V741 M743 L789 C790 M813 P905 L906V741-V811 HydrophobicContact CG1-CG1 3.39Å; M743-V811 HydrophobicContact CB-CG2 4.46Å; L789-V811 CarbonylContact C-O 3.53Å; L789-V811 VanDerWaalsContact CA-O 3.3Å; L789-V811 WeakPolarHBondContact CA-O 3.32Å; C790-V811 PolarHBondContact N-O 3.27Å; C790-V811 PolarHBondContact O-N 2.94Å; V811-M813 HydrophobicContact CG1-CG 3.73Å; V811-P905 HydrophobicContact CG2-CG 3.25Å; V811-L906 HydrophobicContact CG1-CD1 4.27Å; V811-L906 HydrophobicContact CG2-CG 4.26Å
812A91.6Very high76Confident3 Ų355.7 Ų55.73%0.02528%0.278CS..EExtended strand (participates in β ladder)trans-88.5124164.800000109.7Q742 F744 L781 C788 L789Q742-A812 HydrophobicContact CB-CB 4.4Å; Q742-A812 PolarHBondContact N-O 2.9Å; Q742-A812 PolarHBondContact O-N 3.21Å; F744-A812 HydrophobicContact CE1-CB 3.99Å; L781-A812 HydrophobicContact CD1-CB 3.75Å; L781-A812 HydrophobicContact CD2-CB 3.9Å; L781-A812 HydrophobicContact CG-CB 4.47Å; C788-A812 WeakPolarHBondContact O-CA 3.46Å; L789-A812 HydrophobicContact CD2-CB 3.94Å
813M89.9Confident73.6Confident0 Ų064.2 Ų64.20%031%0.309CS..EExtended strand (participates in β ladder)trans-121.7137.5172.3-61.4-166.9-74.100110.1W737 C788 C790 V811 L906 P910W737-M813 HydrophobicContact CD2-CE 4.31Å; W737-M813 HydrophobicContact CE3-CB 3.81Å; W737-M813 HydrophobicContact CE3-CE 4.1Å; W737-M813 HydrophobicContact CE3-SD 4.32Å; W737-M813 HydrophobicContact CH2-CE 4.21Å; W737-M813 HydrophobicContact CZ2-CE 4.43Å; W737-M813 HydrophobicContact CZ3-CB 3.92Å; W737-M813 HydrophobicContact CZ3-CE 4.05Å; C788-M813 PolarHBondContact N-O 3.45Å; C788-M813 PolarHBondContact O-N 3.24Å; C790-M813 HydrophobicContact CB-CE 3.67Å; C790-M813 WeakPolarHBondContact SG-CE 3.41Å; V811-M813 HydrophobicContact CG1-CG 3.73Å; M813-L906 HydrophobicContact CE-CD1 4.01Å; M813-L906 HydrophobicContact SD-CD1 3.63Å; M813-P910 HydrophobicContact SD-CG 3.55Å; M813-P910 VanDerWaalsContact SD-CG 3.55Å
814T88.6Confident71Confident31 Ų3173.5 Ų73.519%0.1935%0.349CS..EExtended strand (participates in β ladder)trans-97.9154.5171.950.60000111T738 N784T738-T814 WeakPolarHBondContact CB-O 3.28Å; T738-T814 PolarHBondContact N-O 2.88Å; T738-T814 VanDerWaalsContact OG1-C 3.23Å; T738-T814 PolarHBondContact OG1-O 2.76Å; T738-T814 PolarHBondContact OG1-OG1 3.4Å; N784-T814 HydrophobicContact CB-CG2 3.98Å; N784-T814 VanDerWaalsContact O-CG2 3.22Å; N784-T814 WeakPolarHBondContact O-CG2 3.44Å
815F84.1Confident68Low17 Ų1781.4 Ų81.48%0.07539%0.39CS..EExtended strand (participates in β ladder)trans-139.8149.3-179.162.2-90.3000110.6Y724 I734 N736 W737 P786 K817Y724-F815 AromaticContact CD2-CE1 4Å; Y724-F815 HydrophobicContact CD2-CE1 4Å; Y724-F815 AromaticContact CD2-CZ 3.92Å; Y724-F815 HydrophobicContact CD2-CZ 3.92Å; Y724-F815 HydrophobicContact CE2-CE1 4.29Å; Y724-F815 AromaticContact CE2-CZ 3.75Å; Y724-F815 HydrophobicContact CE2-CZ 3.75Å; I734-F815 HydrophobicContact CD1-CD1 4.4Å; I734-F815 HydrophobicContact CD1-CE1 3.91Å; I734-F815 HydrophobicContact CD1-CE2 4.43Å; I734-F815 HydrophobicContact CD1-CZ 3.91Å; I734-F815 HydrophobicContact CG2-CB 4.1Å; I734-F815 HydrophobicContact CG2-CD1 4.16Å; I734-F815 HydrophobicContact CG2-CD2 4.04Å; I734-F815 HydrophobicContact CG2-CE2 4.49Å; I734-F815 HydrophobicContact CG2-CG 3.85Å; N736-F815 VanDerWaalsContact O-CA 3.25Å; N736-F815 WeakPolarHBondContact O-CA 3.41Å; N736-F815 WeakPolarHBondContact O-CB 3.49Å; W737-F815 HydrophobicContact CE3-CB 4.21Å; W737-F815 HydrophobicContact CZ3-CB 4.4Å; W737-F815 HydrophobicContact CZ3-CD1 4.26Å; P786-F815 HydrophobicContact CB-CE1 3.9Å; P786-F815 HydrophobicContact CB-CE2 4.05Å; P786-F815 HydrophobicContact CB-CZ 3.65Å; P786-F815 HydrophobicContact CG-CE2 4.36Å; P786-F815 HydrophobicContact CG-CZ 4.4Å; P786-F815 WeakPolarHBondContact CG-O 3.34Å; F815-K817 HydrophobicContact CE2-CG 4.35Å
816D81.2Confident64.9Low108 Ų10887.8 Ų87.858%0.57843%0.429SS*.  trans-81.7131.7179-69.1-32.8000110.2N736N736-D816 PolarHBondContact O-N 2.87Å
817K66.3Low61.8Low131 Ų13197.7 Ų97.757%0.5747%0.472SS*.  trans-79.3-23.3179.3-85.4176172.7177.80113.5P786 F815P786-K817 HydrophobicContact CB-CD 4.48Å; P786-K817 HydrophobicContact CG-CD 4.08Å; P786-K817 HydrophobicContact CG-CG 4.04Å; F815-K817 HydrophobicContact CE2-CG 4.35Å
818D49.8Very low58.5Low142 Ų142101.6 Ų101.676%0.75951%0.513SS*.SBendtrans-11093.4-164.6-61.8-31.2000111.4
819Q43.7Very low55.2Low175 Ų175105.7 Ų105.782%0.81856%0.555SS**SBendtrans-172.1-7.7153.4-110.2170.271.200115.4Q821Q819-Q821 VanDerWaalsContact C-N 3.27Å; Q819-Q821 PolarHBondContact O-N 3.5Å; Q819-Q821 VanDerWaalsContact O-N 3.15Å
820T34.9Very low52Low126 Ų126112.3 Ų112.377%0.77359%0.59SS**THydrogen-bonded Turntrans-86.437.4-17929.40000114.9
821Q32.3Very low48.9Very low183 Ų183120.1 Ų120.186%0.85563%0.627SS**THydrogen-bonded Turntrans-14738.7174.8-124.7177.322.500114.5Q819Q819-Q821 VanDerWaalsContact C-N 3.27Å; Q819-Q821 PolarHBondContact O-N 3.5Å; Q819-Q821 VanDerWaalsContact O-N 3.15Å
822E27.1Very low45.7Very low191 Ų191126.1 Ų126.189%0.89366%0.663SS**  trans-12657.2164.3-77.2-163.6167.300112.1
823R32Very low42.6Very low225 Ų225135.2 Ų135.285%0.84971%0.705SS**SBendtrans-141120.9146-77.4-164.7178.1173.80.1107.8
824F33.1Very low39.6Very low198 Ų198144.4 Ų144.487%0.86875%0.748SS**  trans76.496.9-175.2-59.7-85.5000115.5
825I29Very low36.7Very low166 Ų166150.3 Ų150.385%0.85177%0.773SS**  -159.2113.1126.9-85.1138.2000107.5
826T25.8Very low33.9Very low137 Ų137158.2 Ų158.284%0.8482%0.816SS**  trans-90.7124.8161.325.40000109.2
827K27Very low31.1Very low208 Ų208159.6 Ų159.690%0.90482%0.819SS**  trans46.1119.1153.6-81.4-176.3172.3179.80119.9
828G23.8Very low29.1Very low84 Ų84160.1 Ų160.187%0.86682%0.821SS**  123.9114.1118.800000116.4
829G23.1Very low28.2Very low86 Ų86158.1 Ų158.189%0.88782%0.816SS**  trans155.6107.3164.200000112.1
830N23.5Very low27.2Very low148 Ų148156.2 Ų156.279%0.79181%0.811SS**  trans-100.3159.8-173.1-145.128.7000110.8
831E27.1Very low26.7Very low164 Ų164158 Ų15877%0.76681%0.81SS**  trans82.3128.8165.6-56.8-179.8-168.900115.6
832T25.3Very low26.4Very low125 Ų125157.5 Ų157.577%0.76781%0.812SS**  cis-168.2122.310.57.60000106.9
833E27.5Very low26.2Very low195 Ų195154.5 Ų154.591%0.91181%0.811SS**  trans-117.5119.5159.9-82.9-165.9159.800108.4Q835E833-Q835 PolarHBondContact O-N 3.26Å
834E27.6Very low25.8Very low193 Ų193148 Ų14890%0.90281%0.806SS**  trans-68118.3174.3-80.9-173.2147.600110.4
835Q27.5Very low25.3Very low154 Ų154145.8 Ų145.872%0.7280%0.803SS**  trans-51.9135.6160.7-68.2164.2-40.400111.5E833E833-Q835 PolarHBondContact O-N 3.26Å
836L23.8Very low25Very low183 Ų183143.7 Ų143.796%0.95880%0.803SS**  -138.476.5126.1-76.5-178.7000108.9
837Q23.7Very low24.8Very low137 Ų137142.1 Ų142.164%0.6480%0.798SS**  trans-87.5142.5151.9-162.3179.6-1.800105.9
838F23.8Very low24.7Very low143 Ų143137.1 Ų137.163%0.62779%0.789SS**  152.4172.9109-89.5-61.1000109.1
839P30.5Very low24.6Very low100 Ų100139.2 Ų139.265%0.64979%0.785SS**  -125.6-169.6-75.921.55.1000107.8
840L23.7Very low24.6Very low134 Ų134142.1 Ų142.170%0.70278%0.78SS**  167.8133.585.5-147.883.4000108.7
841E24.3Very low24.6Very low163 Ų163140.4 Ų140.476%0.76278%0.775SS**  trans33.8135.3134.8-59.4-178164.100123.4
842L24.8Very low24.5Very low173 Ų173140.7 Ų140.791%0.90678%0.777SS**  trans-70.3132.2158.5-74.7149.8000110.8
843C23.9Very low24.4Very low129 Ų129140.6 Ų140.687%0.87278%0.776SS**  trans-140.3141.5154.9-86.80000109.9
844A23.3Very low24.2Very low88 Ų88136.1 Ų136.173%0.72777%0.766SS**  trans-86161.6-177.400000113
845D22.2Very low24.1Very low152 Ų152132.9 Ų132.981%0.81377%0.765SS**  trans61.4114.3158.5-60-19.3000120.3
846S23.6Very low24Very low121 Ų121134.9 Ų134.985%0.84677%0.771SS**  172149.910844.40000113
847S21.6Very low24Very low105 Ų105135.5 Ų135.573%0.73477%0.766SS**  trans-57.2150.7-178.851.20000116.6
848S23.7Very low24.1Very low103 Ų103133.5 Ų133.572%0.7277%0.768SS**  154.3134.7109.761.20000115.5
849T22.1Very low24.1Very low127 Ų127130.5 Ų130.578%0.77978%0.776SS**  trans57.6114.3138.747.90000123.6
850N23Very low23.8Very low147 Ų147132.3 Ų132.379%0.78679%0.786SS**  96.5149.1117.6-131.32.3000122.5
851T23.8Very low24.5Very low112 Ų112130.4 Ų130.469%0.68778%0.781SS**  trans78.9102.3163.948.50000118.8
852Q25.2Very low24.6Very low171 Ų171130.1 Ų130.180%0.79978%0.78SS**  66.6112.986.2-90.8-166.16.700113.3
853T22.7Very low24.7Very low122 Ų122127.5 Ų127.575%0.74877%0.767SS**  144.8161.68536.30000104.9
854S24.3Very low24.9Very low102 Ų102126.6 Ų126.671%0.71376%0.757SS**  cis176.3143.7-15.554.30000104.3
855S25.2Very low25.1Very low124 Ų124129.1 Ų129.187%0.86776%0.757SS**  trans175.4127.5131.654.20000112.3
856K25Very low25.3Very low197 Ų197128.1 Ų128.186%0.85776%0.756SS**  trans-82160.4177-64.6166.8170.3176.60112.2
857F23.9Very low25.4Very low196 Ų196126.9 Ų126.986%0.8675%0.747SS**  -173.7103128-128.4-100.2000107
858S25.5Very low25.6Very low95 Ų95126.3 Ų126.366%0.66474%0.744SS**  70.4121.272.179.90000116
859G24.1Very low25.7Very low79 Ų79132.2 Ų132.281%0.81475%0.75SS**  trans164.178.6164.900000114.5
860V23.9Very low25.8Very low139 Ų139132.3 Ų132.384%0.84275%0.751SS**  trans-92.9167.4163.6-157.50000105.1
861P38.1Very low25.8Very low94 Ų94130.3 Ų130.361%0.6175%0.748SS**  cis-155.6175.22844.6-21.5000120.5
862E26.4Very low25.9Very low157 Ų157130 Ų13073%0.73475%0.751SS**  trans66.2139.6135.4-82.2169.1-171.100120.2
863N28Very low25.9Very low117 Ų117129.2 Ų129.263%0.62675%0.751SS**  cis-171.2126.342.5-121.4-21.7000110
864T27.7Very low25.8Very low110 Ų110131.5 Ų131.568%0.67575%0.753SS**  83.3151.3103.235.60000116.3
865I28.1Very low25.8Very low142 Ų142133.3 Ų133.373%0.72876%0.755SS**  cis-161.3146.713.3-99.9142.4000104.6
866V26.5Very low25.7Very low130 Ų130133.2 Ų133.279%0.78875%0.753SS**  -17010693.91720000107
867S24.8Very low25.7Very low95 Ų95129.6 Ų129.666%0.66475%0.752SS**  8210496.1-161.80000114
868S25.8Very low26Very low94 Ų94125.8 Ų125.866%0.65775%0.747SS**  83.8139.268.692.50000112.8
869R25.8Very low26.1Very low226 Ų226129.1 Ų129.185%0.85376%0.757SS**  cis-172.6144.65.5-113.6165.7-175.3-176.32.8109.5
870V23.9Very low26.1Very low130 Ų130131.5 Ų131.579%0.78876%0.756SS**  trans69.4121.3134.4-179.50000119
871S23.1Very low25.9Very low104 Ų104134 Ų13473%0.72776%0.758SS**  -16213666.334.30000115.7
872S25.5Very low25.1Very low107 Ų107133 Ų13375%0.74877%0.765SS**  trans15.7129.9148.856.60000126.1
873L26Very low24.9Very low153 Ų153137.4 Ų137.480%0.80178%0.775SS**  trans59.7133.1137.5-101.766.5000119.5
874E21.1Very low24.7Very low170 Ų170137.5 Ų137.579%0.79478%0.782SS**  cis-142.3139.141.7-72.9-176.4141.700116.3
875N24.4Very low24.7Very low141 Ų141144.1 Ų144.175%0.75480%0.795SS**  trans59.793.2140.5-63.5-13.1000122.7
876C23.2Very low24.4Very low122 Ų122142.2 Ų142.282%0.82479%0.794SS**  trans-87.7165.8155.3-65.70000112.7
877S23.4Very low24.4Very low120 Ų120144.5 Ų144.584%0.83980%0.801SS**  -150.1130.7128.156.40000112.3
878P30.5Very low24.4Very low117 Ų117151 Ų15176%0.7681%0.811SS**  trans-113.9173.7172.237.1-24.3000113.9
879L28.2Very low24.4Very low165 Ų165151.8 Ų151.886%0.86482%0.816SS**  trans-35.5147.2-179.1-63.1155.1000119.7
880T23Very low24.3Very low129 Ų129146.3 Ų146.379%0.79181%0.813SS**  -174.8146.3122.131.30000114.6
881E21.3Very low24.4Very low190 Ų190151.3 Ų151.389%0.88882%0.817SS**  trans46.6131146.1-68.7177144.200124.4
882G20.9Very low24.5Very low74 Ų74151.6 Ų151.676%0.76382%0.819SS**  110.589.9128.800000121.1
883R21.8Very low24.5Very low249 Ų249156.5 Ų156.594%0.9483%0.827SS**  trans75.5149.2147.3-82.9-172.9178.5-178.31.2121.7
884P24.6Very low24.7Very low120 Ų120153.2 Ų153.278%0.77983%0.831SS**  trans-95.6137.8-151.536.6-30.7000112.8
885R26.2Very low24.8Very low249 Ų249148.4 Ų148.494%0.9483%0.827SS**  trans-92.6120.9168.4-81.3-176.2174.4160.2-0.5111
886S23.1Very low25.1Very low101 Ų101147.7 Ų147.771%0.70683%0.833SS**  trans-39.2125.7165.2-179.10000113.7R888S886-R888 PolarHBondContact O-N 2.9Å
887L25.3Very low25.5Very low179 Ų179146.5 Ų146.594%0.93783%0.826SS**  trans-89.393.5162-86.4156.8000108.5
888R25Very low26.4Very low230 Ų230146.5 Ų146.587%0.86882%0.82SS**  trans-92.6119.7158.9-93-176.1174.1179-1.2108.7S886S886-R888 PolarHBondContact O-N 2.9Å
889S26.4Very low27.5Very low111 Ų111145.4 Ų145.478%0.77681%0.812SS**  trans30.799.4138.9174.30000117.3
890S23.9Very low29.9Very low111 Ų111144.5 Ų144.578%0.77681%0.805SS**  trans-98116.1149.549.30000109.3S892S890-S892 PolarHBondContact O-N 3.45Å
891R26.3Very low33.1Very low236 Ų236138.6 Ų138.689%0.89177%0.768SS**  trans-71.8117.6158.6-83.3177.8169.8175.8-3.9107.2
892S23.8Very low36.5Very low109 Ų109133.2 Ų133.276%0.76274%0.742SS**  trans-118.2120.9161.143.90000109S890S890-S892 PolarHBondContact O-N 3.45Å
893F26Very low39.9Very low210 Ų210130.2 Ų130.292%0.92171%0.709SS**  trans-70.9140.5166-98-98.1000109.6
894G29.8Very low43.3Very low85 Ų85118.4 Ų118.488%0.87666%0.664SS**SBendtrans8160.3153.600000117.4
895G24.1Very low46.5Very low68 Ų68112.9 Ų112.970%0.70163%0.628SS**SBendtrans-170.2125.316300000108.8S897G895-S897 PolarHBondContact O-N 2.9Å
896S29.7Very low49.7Very low126 Ų126101 Ų10188%0.88158%0.583SS**  trans-54.192.6-175.9174.80000111.6V898S896-V898 PolarHBondContact O-N 3.41Å
897S32.1Very low52.9Low98 Ų9896.5 Ų96.569%0.68555%0.552SS**  trans-65.4118168.958.50000107.2G895 T899G895-S897 PolarHBondContact O-N 2.9Å; S897-T899 PolarHBondContact O-N 2.92Å
898V43.1Very low56Low119 Ų11988.8 Ų88.872%0.72151%0.511SS*.  trans-48.2113.8169.8178.80000107S896 M900S896-V898 PolarHBondContact O-N 3.41Å; V898-M900 PolarHBondContact O-N 3.25Å
899T53.1Low59Low94 Ų9478.1 Ų78.158%0.57747%0.471SS*.  trans-59.4110.2178.141.60000107.4S897 V901S897-T899 PolarHBondContact O-N 2.92Å; T899-V901 PolarHBondContact O-N 3.35Å
900M78.4Confident61.8Low147 Ų14773.1 Ų73.172%0.72444%0.436SS*.  trans-55.9112.2178.7-175.3-163.9-168.200108.8V898 K902V898-M900 PolarHBondContact O-N 3.25Å; M900-K902 PolarHBondContact O-N 2.91Å
901V90.4Very high64.6Low4 Ų469.2 Ų69.22%0.02441%0.413CS..  trans-63120.4177.8177.30000108.5T899 R954 V957 A958 N963 V965T899-V901 PolarHBondContact O-N 3.35Å; V901-R954 HydrophobicContact CB-CB 4.12Å; V901-R954 HydrophobicContact CB-CG 4.07Å; V901-R954 HydrophobicContact CG1-CG 4.49Å; V901-R954 PolarHBondContact O-NH1 2.88Å; V901-V957 HydrophobicContact CG1-CB 4.05Å; V901-V957 HydrophobicContact CG1-CG1 3.67Å; V901-V957 HydrophobicContact CG2-CG1 4.39Å; V901-A958 HydrophobicContact CG2-CB 3.87Å; V901-N963 WeakPolarHBondContact CA-O 3.2Å; V901-V965 HydrophobicContact CG1-CG2 4.01Å
902K92.1Very high67.5Low77 Ų7758.3 Ų58.334%0.33537%0.372SS..EExtended strand (participates in β ladder)trans-78.3141.8176.5-67.2-174.2176.5-1730109.7M900 L909 N963 A964 V965M900-K902 PolarHBondContact O-N 2.91Å; K902-L909 HydrophobicContact CB-CD1 4.46Å; K902-N963 PolarHBondContact N-O 2.69Å; K902-A964 HydrophobicContact CB-CB 4.26Å; K902-A964 CarbonylContact O-C 3.58Å; K902-A964 WeakPolarHBondContact O-CA 3.37Å; K902-V965 PolarHBondContact O-N 3.22Å
903M92.4Very high70.6Confident12 Ų1259.9 Ų59.96%0.05936%0.362CS..EExtended strand (participates in β ladder)trans-123.3137.5176.8-61177.769.600109M743 F950 V953 R954 V965 Y968M743-M903 VanDerWaalsContact CB-O 3.31Å; M743-M903 WeakPolarHBondContact CB-O 3.34Å; M743-M903 HydrophobicContact SD-CB 3.88Å; M903-F950 HydrophobicContact CE-CD1 3.96Å; M903-F950 HydrophobicContact CE-CE1 4.37Å; M903-F950 HydrophobicContact SD-CD1 4.24Å; M903-V953 HydrophobicContact CE-CB 4.07Å; M903-V953 HydrophobicContact CE-CG1 3.63Å; M903-V953 HydrophobicContact SD-CG1 4.43Å; M903-R954 HydrophobicContact CG-CG 4.36Å; M903-R954 HydrophobicContact SD-CG 3.8Å; M903-V965 HydrophobicContact CG-CB 4.22Å; M903-V965 HydrophobicContact CG-CG2 4.18Å; M903-Y968 HydrophobicContact CE-CD2 3.48Å; M903-Y968 VanDerWaalsContact CE-CD2 3.48Å; M903-Y968 HydrophobicContact CE-CE2 3.52Å; M903-Y968 HydrophobicContact CE-CG 4.34Å
904T93.6Very high73.6Confident0 Ų050.4 Ų50.40%032%0.32CS..  trans-149.5138.1175.8-175.50000111L906 L909 V965 V966 S967 Y968T904-L906 HydrophobicContact CG2-CB 4.37Å; T904-L906 PolarHBondContact O-N 3.39Å; T904-L906 WeakPolarHBondContact OG1-CB 3.35Å; T904-L906 WeakPolarHBondContact OG1-CG 3.43Å; T904-L906 PolarHBondContact OG1-N 3.03Å; T904-L909 HydrophobicContact CG2-CD2 3.52Å; T904-L909 HydrophobicContact CG2-CG 3.82Å; T904-V965 PolarHBondContact N-O 2.72Å; T904-V966 HydrophobicContact CG2-CB 4.38Å; T904-V966 HydrophobicContact CG2-CG1 4Å; T904-V966 CarbonylContact O-C 3.57Å; T904-V966 WeakPolarHBondContact O-CA 3.43Å; T904-S967 PolarHBondContact O-N 3.49Å; T904-Y968 WeakPolarHBondContact O-CB 3.37Å; T904-Y968 PolarHBondContact O-N 3.06Å
905P91.9Very high76.4Confident4 Ų450.6 Ų50.63%0.02630%0.301CS..SBendtrans-70.7-12.8167.130.5-40.7000114.1H791 V811 S967 Y968H791-P905 HydrophobicContact CB-CG 4.45Å; V811-P905 HydrophobicContact CG2-CG 3.25Å; P905-S967 WeakPolarHBondContact O-CA 3.43Å; P905-Y968 VanDerWaalsContact CA-O 3.23Å; P905-Y968 WeakPolarHBondContact CA-O 3.31Å; P905-Y968 WeakPolarHBondContact CB-O 3.41Å
906L92.6Very high79.5Confident0 Ų049.8 Ų49.80%028%0.278CS..SBendtrans-69.9147.5175.7-56178.7000111.1E729 H791 V811 M813 T904 F908 V966 S967E729-L906 HydrophobicContact CB-CD2 3.98Å; E729-L906 HydrophobicContact CG-CD2 4.41Å; E729-L906 WeakPolarHBondContact O-CD2 3.34Å; H791-L906 HydrophobicContact CB-CD2 3.76Å; V811-L906 HydrophobicContact CG1-CD1 4.27Å; V811-L906 HydrophobicContact CG2-CG 4.26Å; M813-L906 HydrophobicContact CE-CD1 4.01Å; M813-L906 HydrophobicContact SD-CD1 3.63Å; T904-L906 HydrophobicContact CG2-CB 4.37Å; T904-L906 PolarHBondContact O-N 3.39Å; T904-L906 WeakPolarHBondContact OG1-CB 3.35Å; T904-L906 WeakPolarHBondContact OG1-CG 3.43Å; T904-L906 PolarHBondContact OG1-N 3.03Å; L906-F908 VanDerWaalsContact CB-O 3.3Å; L906-F908 WeakPolarHBondContact CB-O 3.48Å; L906-F908 PolarHBondContact O-N 3.06Å; L906-V966 WeakPolarHBondContact O-CB 3.27Å; L906-S967 PolarHBondContact O-N 2.86Å
907S90.4Very high82.4Confident6 Ų644.7 Ų44.74%0.04224%0.239CC..SBendtrans-61.3-10.7169.765.70000115E729 S967E729-S907 VanDerWaalsContact OE1-CB 3.23Å; E729-S907 WeakPolarHBondContact OE1-CB 3.2Å; E729-S907 PolarHBondContact OE1-N 2.71Å; E729-S907 PolarHBondContact OE1-OG 3.1Å; E729-S907 WeakPolarHBondContact OE2-CB 3.46Å; E729-S907 PolarHBondContact OE2-OG 2.78Å; S907-S967 WeakPolarHBondContact CA-OG 3.42Å
908F90.3Very high85.1Confident18 Ų1840.4 Ų40.48%0.07921%0.209CC..SBendtrans-147.6168.8-178.471.2-84.7000112.8R154 T730 L906 P910R154-F908 VanDerWaalsContact CZ-CB 3.41Å; R154-F908 VanDerWaalsContact NH2-CD2 3.28Å; T730-F908 HydrophobicContact CG2-CE1 3.86Å; T730-F908 HydrophobicContact CG2-CZ 3.65Å; L906-F908 VanDerWaalsContact CB-O 3.3Å; L906-F908 WeakPolarHBondContact CB-O 3.48Å; L906-F908 PolarHBondContact O-N 3.06Å; F908-P910 HydrophobicContact CE2-CG 3.97Å
909L88.9Confident87.2Confident5 Ų535.7 Ų35.73%0.02618%0.184CC..  trans-116.5117.4172.6-80.5171.2000109.9V741 K902 T904 G911 T912 A964 V966V741-L909 HydrophobicContact CB-CD2 4.34Å; V741-L909 HydrophobicContact CG1-CD2 4.18Å; V741-L909 HydrophobicContact CG2-CD2 4.28Å; K902-L909 HydrophobicContact CB-CD1 4.46Å; T904-L909 HydrophobicContact CG2-CD2 3.52Å; T904-L909 HydrophobicContact CG2-CG 3.82Å; L909-G911 PolarHBondContact O-N 2.8Å; L909-T912 WeakPolarHBondContact CB-OG1 3.42Å; L909-T912 PolarHBondContact O-N 2.83Å; L909-T912 PolarHBondContact O-OG1 2.67Å; L909-A964 HydrophobicContact CD1-CB 3.5Å; L909-A964 VanDerWaalsContact CD1-CB 3.5Å; L909-V966 HydrophobicContact CG-CG1 4.39Å
910P85.6Confident89Confident7 Ų731.6 Ų31.65%0.04516%0.158CC..THydrogen-bonded Turntrans-48.4135.5176.1-29.430000114.5W737 T738 V741 M813 F908 T912W737-P910 HydrophobicContact CB-CB 3.95Å; W737-P910 HydrophobicContact CB-CG 4.35Å; T738-P910 WeakPolarHBondContact O-CB 3.39Å; V741-P910 HydrophobicContact CG2-CG 3.99Å; M813-P910 HydrophobicContact SD-CG 3.55Å; M813-P910 VanDerWaalsContact SD-CG 3.55Å; F908-P910 HydrophobicContact CE2-CG 3.97Å; P910-T912 PolarHBondContact O-N 3.35Å
911G81.9Confident89.6Confident29 Ų2925 Ų2530%0.29913%0.126SC..THydrogen-bonded Turntrans61.918.7-18000000115.1L909 E1000L909-G911 PolarHBondContact O-N 2.8Å; G911-E1000 PolarHBondContact O-N 3.39Å
912T87.1Confident89.7Confident6 Ų625.8 Ų25.84%0.03713%0.13CC..EExtended strand (participates in β ladder)trans-130.1146.9173690000110.7L909 P910 V998 R999L909-T912 WeakPolarHBondContact CB-OG1 3.42Å; L909-T912 PolarHBondContact O-N 2.83Å; L909-T912 PolarHBondContact O-OG1 2.67Å; P910-T912 PolarHBondContact O-N 3.35Å; T912-V998 CarbonylContact C-O 3.48Å; T912-V998 WeakPolarHBondContact CA-O 3.34Å; T912-R999 HydrophobicContact CG2-CG 4.4Å
913R88.6Confident89.7Confident142 Ų14223.3 Ų23.354%0.53612%0.12SC..EExtended strand (participates in β ladder)trans-104.9127.4175-173.5173.963.7149.81.1109.5I915 C997 V998 E1000R913-I915 PolarHBondContact O-N 2.84Å; R913-C997 WeakPolarHBondContact O-CA 3.49Å; R913-V998 PolarHBondContact N-O 2.96Å; R913-V998 PolarHBondContact O-N 2.99Å; R913-E1000 HydrophobicContact CB-CG 4.34Å
914I90.4Very high89.6Confident11 Ų1123.2 Ų23.26%0.05612%0.119CC..EExtended strand (participates in β ladder)trans-75.1120.8172.3-56.8172000107.7Y917 V966 V995I914-Y917 HydrophobicContact CG2-CD2 3.96Å; I914-Y917 HydrophobicContact CG2-CE2 3.61Å; I914-V966 HydrophobicContact CD1-CG1 4.4Å; I914-V995 HydrophobicContact CG2-CB 3.96Å; I914-V995 HydrophobicContact CG2-CG1 4.05Å
915I88.3Confident89.6Confident89 Ų8923.5 Ų23.546%0.45612%0.12SC..EExtended strand (participates in β ladder)trans-89.9-40.1178.7-60.7-173.6000110.3R913 I996 V998R913-I915 PolarHBondContact O-N 2.84Å; I915-I996 PolarHBondContact N-O 2.95Å; I915-V998 HydrophobicContact CD1-CB 3.76Å; I915-V998 HydrophobicContact CD1-CG2 3.25Å; I915-V998 HydrophobicContact CG1-CB 4.4Å; I915-V998 HydrophobicContact CG1-CG2 4.19Å
916K88.1Confident89.7Confident52 Ų5223.3 Ų23.323%0.22612%0.119CC..EExtended strand (participates in β ladder)trans-152.1136.3-170.3-169.8178.2179.3-178.50111E100 L918 V995 I996E100-K916 WeakPolarHBondContact O-CE 3.39Å; E100-K916 PolarHBondContact O-NZ 3.34Å; K916-L918 HydrophobicContact CD-CD2 3.87Å; K916-L918 HydrophobicContact CG-CD2 4.18Å; K916-V995 WeakPolarHBondContact O-CA 3.36Å; K916-I996 HydrophobicContact CB-CB 4.38Å; K916-I996 HydrophobicContact CD-CD1 4.43Å; K916-I996 PolarHBondContact N-O 3.26Å; K916-I996 PolarHBondContact O-N 3.09Å
917Y90.3Very high89.8Confident19 Ų1923.7 Ų23.78%0.07512%0.121CC..EExtended strand (participates in β ladder)trans-92.7128.6164.9-70-102.4000107.9L147 P153 R154 Y156 I914 V966 D993 V995L147-Y917 HydrophobicContact CD2-CD1 3.48Å; L147-Y917 VanDerWaalsContact CD2-CD1 3.48Å; L147-Y917 HydrophobicContact CD2-CE1 4.04Å; L147-Y917 HydrophobicContact CD2-CG 4.02Å; P153-Y917 HydrophobicContact CB-CE1 4.29Å; P153-Y917 HydrophobicContact CB-CE2 3.79Å; R154-Y917 PolarHBondContact N-OH 2.93Å; R154-Y917 WeakPolarHBondContact O-CE2 3.3Å; Y156-Y917 HydrophobicContact CD2-CD2 4.46Å; Y156-Y917 HydrophobicContact CD2-CE2 4.47Å; Y156-Y917 AromaticContact CE2-CD2 3.81Å; Y156-Y917 HydrophobicContact CE2-CD2 3.81Å; Y156-Y917 HydrophobicContact CE2-CE2 4.26Å; I914-Y917 HydrophobicContact CG2-CD2 3.96Å; I914-Y917 HydrophobicContact CG2-CE2 3.61Å; Y917-V966 HydrophobicContact CE1-CG2 4.32Å; Y917-D993 HydrophobicContact CD1-CB 4.23Å; Y917-D993 HydrophobicContact CE1-CB 4.37Å; Y917-V995 HydrophobicContact CD1-CG1 3.52Å; Y917-V995 HydrophobicContact CE1-CG1 3.72Å; Y917-V995 HydrophobicContact CG-CG1 4.02Å
918L88.8Confident89.9Confident8 Ų824.6 Ų24.64%0.04212%0.124CC..EExtended strand (participates in β ladder)trans-95.9-23.9-175.6-63176.4000112.7K916 L960 G962 A994 I996K916-L918 HydrophobicContact CD-CD2 3.87Å; K916-L918 HydrophobicContact CG-CD2 4.18Å; L918-L960 HydrophobicContact CD1-CB 4.13Å; L918-G962 VanDerWaalsContact CD1-N 3.32Å; L918-A994 HydrophobicContact CB-CB 4.15Å; L918-A994 PolarHBondContact N-O 3.41Å; L918-I996 HydrophobicContact CD1-CD1 4.24Å; L918-I996 HydrophobicContact CD1-CG1 3.86Å; L918-I996 HydrophobicContact CD2-CD1 3.94Å; L918-I996 HydrophobicContact CD2-CG1 4.22Å; L918-I996 HydrophobicContact CG-CD1 4.42Å; L918-I996 HydrophobicContact CG-CG1 4.15Å
919G87.9Confident89.9Confident19 Ų1924.1 Ų24.120%0.19612%0.123CC..EExtended strand (participates in β ladder)trans148.8171.1-179.100000110.9A994G919-A994 PolarHBondContact O-N 2.9Å
920I91Very high89.9Confident8 Ų827.3 Ų27.34%0.04114%0.143CC..EExtended strand (participates in β ladder)trans-76.5144169.4-172.7168.7000109.4F146 C148 Y222F146-I920 HydrophobicContact CB-CB 4.39Å; F146-I920 HydrophobicContact CB-CG2 4Å; C148-I920 WeakPolarHBondContact SG-CD1 3.39Å; Y222-I920 HydrophobicContact CD1-CD1 3.42Å; Y222-I920 VanDerWaalsContact CD1-CD1 3.42Å; Y222-I920 HydrophobicContact CE1-CD1 3.8Å; Y222-I920 HydrophobicContact CG-CD1 4.5Å
921I91.9Very high90Very high8 Ų828.7 Ų28.74%0.04115%0.153CC..EExtended strand (participates in β ladder)trans-107.8117.3164.6-58.9-62.7000105.7M923 V953 V957 L960 S991 G992 A994I921-M923 HydrophobicContact CG2-CE 3.76Å; I921-M923 HydrophobicContact CG2-CG 3.95Å; I921-M923 HydrophobicContact CG2-SD 3.8Å; I921-V953 HydrophobicContact CG2-CG1 4.41Å; I921-V957 HydrophobicContact CD1-CG2 3.92Å; I921-V957 HydrophobicContact CG1-CG2 3.7Å; I921-L960 HydrophobicContact CD1-CD1 3.79Å; I921-S991 CarbonylContact O-C 3.47Å; I921-S991 WeakPolarHBondContact O-CA 3.45Å; I921-G992 PolarHBondContact N-O 3.36Å; I921-G992 PolarHBondContact O-N 3.33Å; I921-A994 HydrophobicContact CD1-CB 4.23Å; I921-A994 HydrophobicContact CG1-CB 3.95Å
922N91.5Very high90.3Very high22 Ų2227.6 Ų27.612%0.11814%0.14CC..EExtended strand (participates in β ladder)trans-130.9111.2172.1-172.743.5000108.3S200 Q224S200-N922 PolarHBondContact OG-ND2 3.28Å; Q224-N922 PolarHBondContact OE1-ND2 3.48Å
923M91.5Very high90.2Very high25 Ų2536.5 Ų36.512%0.12317%0.173CC..EExtended strand (participates in β ladder)trans-134.1140.5-171-67176.7175.500111.1I921 F925 V953 H956 N989 V990I921-M923 HydrophobicContact CG2-CE 3.76Å; I921-M923 HydrophobicContact CG2-CG 3.95Å; I921-M923 HydrophobicContact CG2-SD 3.8Å; M923-F925 HydrophobicContact CB-CD2 4.46Å; M923-F925 HydrophobicContact CB-CE2 3.52Å; M923-F925 HydrophobicContact CB-CZ 3.6Å; M923-F925 HydrophobicContact CG-CZ 4.29Å; M923-F925 HydrophobicContact SD-CZ 3.97Å; M923-V953 HydrophobicContact SD-CG2 4.34Å; M923-H956 HydrophobicContact CE-CB 3.55Å; M923-H956 WeakPolarHBondContact CE-CD2 3.42Å; M923-N989 PolarHBondContact O-OD1 3.29Å; M923-V990 HydrophobicContact CB-CG2 4Å; M923-V990 PolarHBondContact N-O 2.93Å; M923-V990 PolarHBondContact O-N 3.33Å
924F91.7Very high90.2Very high10 Ų1037.5 Ų37.54%0.04418%0.183CC..EExtended strand (participates in β ladder)trans-122.8131.4-177.8-178.5-93.4000110.5Q193 I196 I926 L987 N989Q193-F924 HydrophobicContact CB-CD1 4.49Å; Q193-F924 HydrophobicContact CG-CD1 4.25Å; Q193-F924 PolarHBondContact NE2-O 2.93Å; I196-F924 HydrophobicContact CB-CD1 4.2Å; I196-F924 HydrophobicContact CB-CE1 4.39Å; I196-F924 HydrophobicContact CB-CG 4.41Å; I196-F924 HydrophobicContact CD1-CD1 3.88Å; I196-F924 HydrophobicContact CD1-CD2 4.31Å; I196-F924 HydrophobicContact CD1-CE1 3.23Å; I196-F924 HydrophobicContact CD1-CE2 3.72Å; I196-F924 HydrophobicContact CD1-CG 4.34Å; I196-F924 HydrophobicContact CD1-CZ 3.07Å; I196-F924 HydrophobicContact CG1-CE1 4.35Å; I196-F924 HydrophobicContact CG1-CZ 4.38Å; I196-F924 HydrophobicContact CG2-CB 3.78Å; I196-F924 HydrophobicContact CG2-CD1 3.88Å; I196-F924 HydrophobicContact CG2-CD2 3.92Å; I196-F924 HydrophobicContact CG2-CE1 4.35Å; I196-F924 HydrophobicContact CG2-CE2 4.37Å; I196-F924 HydrophobicContact CG2-CG 3.6Å; F924-I926 HydrophobicContact CD1-CG1 4.48Å; F924-I926 HydrophobicContact CE1-CD1 3.8Å; F924-I926 HydrophobicContact CE1-CG1 3.67Å; F924-I926 HydrophobicContact CZ-CG1 4.33Å; F924-L987 HydrophobicContact CD2-CG 4.47Å; F924-L987 HydrophobicContact CE1-CD1 3.46Å; F924-L987 VanDerWaalsContact CE1-CD1 3.46Å; F924-L987 HydrophobicContact CE1-CG 4.21Å; F924-L987 HydrophobicContact CE2-CD1 3.65Å; F924-L987 HydrophobicContact CE2-CD2 3.46Å; F924-L987 VanDerWaalsContact CE2-CD2 3.46Å; F924-L987 HydrophobicContact CE2-CG 3.41Å; F924-L987 VanDerWaalsContact CE2-CG 3.41Å; F924-L987 HydrophobicContact CZ-CD1 2.95Å; F924-L987 HydrophobicContact CZ-CD2 3.41Å; F924-L987 VanDerWaalsContact CZ-CD2 3.41Å; F924-L987 HydrophobicContact CZ-CG 3.28Å; F924-N989 HydrophobicContact CD2-CB 4.21Å
925F93.9Very high89.9Confident5 Ų540.1 Ų40.12%0.02220%0.196CC..EExtended strand (participates in β ladder)trans-129.4135.8-175.2-57.8-73.8000111.3M923 F945 V949 M952 L987 I988 V990M923-F925 HydrophobicContact CB-CD2 4.46Å; M923-F925 HydrophobicContact CB-CE2 3.52Å; M923-F925 HydrophobicContact CB-CZ 3.6Å; M923-F925 HydrophobicContact CG-CZ 4.29Å; M923-F925 HydrophobicContact SD-CZ 3.97Å; F925-F945 HydrophobicContact CB-CE2 3.8Å; F925-F945 HydrophobicContact CB-CZ 3.66Å; F925-V949 HydrophobicContact CB-CG2 4.17Å; F925-V949 HydrophobicContact CD2-CB 4.3Å; F925-V949 HydrophobicContact CD2-CG1 3.85Å; F925-V949 HydrophobicContact CD2-CG2 3.67Å; F925-V949 HydrophobicContact CE2-CB 4.47Å; F925-V949 HydrophobicContact CE2-CG1 3.81Å; F925-V949 HydrophobicContact CE2-CG2 4.29Å; F925-V949 HydrophobicContact CG-CG2 3.99Å; F925-M952 HydrophobicContact CD1-CE 4.18Å; F925-M952 HydrophobicContact CD1-SD 3.77Å; F925-M952 HydrophobicContact CE1-CB 4.27Å; F925-M952 HydrophobicContact CE1-CE 3.42Å; F925-M952 VanDerWaalsContact CE1-CE 3.42Å; F925-M952 HydrophobicContact CE1-CG 4.46Å; F925-M952 HydrophobicContact CE1-SD 3.32Å; F925-M952 WeakPolarHBondContact CE1-SD 3.2Å; F925-M952 HydrophobicContact CZ-CB 3.98Å; F925-M952 HydrophobicContact CZ-CE 4.22Å; F925-M952 HydrophobicContact CZ-SD 3.99Å; F925-L987 WeakPolarHBondContact O-CA 3.34Å; F925-I988 PolarHBondContact N-O 2.93Å; F925-I988 PolarHBondContact O-N 2.98Å; F925-V990 HydrophobicContact CD2-CG2 4.45Å; F925-V990 HydrophobicContact CE2-CG2 3.88Å
926I93.9Very high89.7Confident0 Ų038.8 Ų38.80%020%0.203CC..EExtended strand (participates in β ladder)trans-114.1133.5169.2-64.1161.3000108.2Y112 N189 R192 Q193 F924 Q985 L987Y112-I926 WeakPolarHBondContact CE1-O 3.2Å; Y112-I926 PolarHBondContact OH-O 3.16Å; N189-I926 HydrophobicContact CB-CB 4.42Å; N189-I926 HydrophobicContact CB-CD1 4.35Å; N189-I926 HydrophobicContact CB-CG2 3.85Å; N189-I926 WeakPolarHBondContact O-CD1 3.49Å; R192-I926 HydrophobicContact CB-CD1 3.92Å; R192-I926 HydrophobicContact CG-CD1 4.18Å; Q193-I926 HydrophobicContact CB-CD1 4.19Å; F924-I926 HydrophobicContact CD1-CG1 4.48Å; F924-I926 HydrophobicContact CE1-CD1 3.8Å; F924-I926 HydrophobicContact CE1-CG1 3.67Å; F924-I926 HydrophobicContact CZ-CG1 4.33Å; I926-Q985 HydrophobicContact CG2-CG 4.24Å; I926-L987 HydrophobicContact CB-CD1 4.25Å; I926-L987 HydrophobicContact CD1-CD1 4.12Å; I926-L987 HydrophobicContact CG1-CD1 3.2Å
927R93.6Very high89.7Confident9 Ų937.4 Ų37.43%0.03420%0.204CC..EExtended strand (participates in β ladder)trans-130.5129.7172.6-168.876.9-173.572.47.5109.7Y112 T114 I115 E935 F941 F945 E948 Q985 C986Y112-R927 VanDerWaalsContact OH-CD 3.27Å; Y112-R927 WeakPolarHBondContact OH-CD 3.4Å; T114-R927 CarbonylContact O-C 3.54Å; T114-R927 WeakPolarHBondContact O-CA 3.36Å; T114-R927 PolarHBondContact O-NH1 3.24Å; I115-R927 PolarHBondContact O-NH1 2.84Å; I115-R927 PolarHBondContact O-NH2 3.21Å; R927-E935 IonicContact NH2-OE1 2.69Å; R927-F941 HydrophobicContact CB-CE2 4.28Å; R927-F941 HydrophobicContact CB-CZ 4.03Å; R927-F941 HydrophobicContact CG-CE2 3.53Å; R927-F941 HydrophobicContact CG-CZ 3.8Å; R927-F945 HydrophobicContact CB-CD1 3.8Å; R927-F945 HydrophobicContact CB-CD2 3.64Å; R927-F945 HydrophobicContact CB-CE1 3.71Å; R927-F945 HydrophobicContact CB-CE2 3.59Å; R927-F945 HydrophobicContact CB-CG 3.78Å; R927-F945 HydrophobicContact CB-CZ 3.61Å; R927-F945 HydrophobicContact CG-CB 4.5Å; R927-F945 HydrophobicContact CG-CD2 3.98Å; R927-F945 HydrophobicContact CG-CE2 4.36Å; R927-F945 HydrophobicContact CG-CG 4.09Å; R927-E948 IonicContact NE-OE2 3.8Å; R927-Q985 CarbonylContact O-C 3.46Å; R927-Q985 VanDerWaalsContact O-CA 3.31Å; R927-Q985 WeakPolarHBondContact O-CA 3.35Å; R927-C986 PolarHBondContact N-O 2.98Å; R927-C986 PolarHBondContact O-N 3.12Å
928E92.3Very high89.6Confident25 Ų2537.6 Ų37.612%0.11721%0.207CC..EExtended strand (participates in β ladder)trans-124.3133.4175.4-172-175.5160.600110.7T114 I115 P185 N189 A984 Q985T114-E928 PolarHBondContact O-N 3.19Å; I115-E928 WeakPolarHBondContact CA-O 3.4Å; P185-E928 VanDerWaalsContact CB-OE2 3.3Å; P185-E928 WeakPolarHBondContact CB-OE2 3.36Å; N189-E928 PolarHBondContact ND2-OE2 3.25Å; E928-A984 CarbonylContact C-O 3.42Å; E928-A984 WeakPolarHBondContact CA-O 3.3Å; E928-Q985 HydrophobicContact CB-CG 4.41Å; E928-Q985 HydrophobicContact CG-CB 4.46Å
929T91Very high89.5Confident7 Ų739.6 Ų39.64%0.04322%0.222CC..EExtended strand (participates in β ladder)trans-124.8140.5175.7-173.90000110.1S931 L932 E935 F941 Q983 A984T929-S931 PolarHBondContact OG1-N 3.34Å; T929-L932 HydrophobicContact CG2-CB 4.32Å; T929-L932 HydrophobicContact CG2-CD1 4.03Å; T929-E935 VanDerWaalsContact CB-OE2 3.27Å; T929-E935 WeakPolarHBondContact CB-OE2 3.14Å; T929-E935 WeakPolarHBondContact CG2-OE2 3.43Å; T929-E935 PolarHBondContact OG1-OE2 2.99Å; T929-F941 HydrophobicContact CG2-CD1 4.5Å; T929-F941 HydrophobicContact CG2-CD2 3.63Å; T929-F941 HydrophobicContact CG2-CE1 4.5Å; T929-F941 HydrophobicContact CG2-CE2 3.63Å; T929-F941 HydrophobicContact CG2-CG 4.07Å; T929-F941 HydrophobicContact CG2-CZ 4.1Å; T929-Q983 CarbonylContact O-C 3.55Å; T929-Q983 WeakPolarHBondContact O-CA 3.38Å; T929-A984 HydrophobicContact CG2-CB 4.01Å; T929-A984 PolarHBondContact N-O 3.42Å; T929-A984 PolarHBondContact O-N 3.03Å
930T88.8Confident89.6Confident73 Ų7339.9 Ų39.945%0.44822%0.224SC..SBendtrans-101.7-1.1171.561.80000112.9N982 Q983T930-N982 CarbonylContact C-O 3.39Å; T930-N982 VanDerWaalsContact O-O 3.09Å; T930-Q983 HydrophobicContact CG2-CG 3.98Å
931S87.4Confident89.7Confident36 Ų3639.6 Ų39.625%0.25222%0.223SC..  trans-127.344.9-172.6-71.20000111.5T929 R933 E934 E935 N982T929-S931 PolarHBondContact OG1-N 3.34Å; S931-R933 VanDerWaalsContact C-N 3.27Å; S931-R933 PolarHBondContact O-N 3.2Å; S931-R933 VanDerWaalsContact O-N 3.12Å; S931-E934 VanDerWaalsContact CB-OE2 3.29Å; S931-E934 WeakPolarHBondContact CB-OE2 3.41Å; S931-E934 WeakPolarHBondContact O-CB 3.38Å; S931-E934 PolarHBondContact O-N 2.98Å; S931-E934 PolarHBondContact OG-OE2 3.09Å; S931-E935 PolarHBondContact O-N 2.79Å; S931-N982 WeakPolarHBondContact CA-ND2 3.39Å
932L87.9Confident89.7Confident6 Ų639.3 Ų39.33%0.03122%0.222CC..THydrogen-bonded Turntrans-52.5-41-173-174.564.1000113.8T929 E934 E935 G937 V938 F941 E977 N982 A984T929-L932 HydrophobicContact CG2-CB 4.32Å; T929-L932 HydrophobicContact CG2-CD1 4.03Å; L932-E934 VanDerWaalsContact C-N 3.34Å; L932-E934 PolarHBondContact O-N 2.9Å; L932-E935 PolarHBondContact O-N 2.8Å; L932-G937 VanDerWaalsContact O-CA 3.26Å; L932-G937 WeakPolarHBondContact O-CA 3.19Å; L932-G937 PolarHBondContact O-N 3.41Å; L932-V938 HydrophobicContact CD1-CG2 4.44Å; L932-V938 HydrophobicContact CD2-CG2 3.85Å; L932-F941 HydrophobicContact CD1-CB 3.77Å; L932-F941 HydrophobicContact CD1-CD1 4.35Å; L932-F941 HydrophobicContact CD1-CG 4.15Å; L932-E977 HydrophobicContact CD2-CG 4.06Å; L932-N982 WeakPolarHBondContact CB-O 3.39Å; L932-N982 PolarHBondContact N-ND2 3.32Å; L932-N982 PolarHBondContact N-O 3.23Å; L932-N982 VanDerWaalsContact N-O 3.14Å; L932-A984 HydrophobicContact CD1-CB 3.85Å; L932-A984 HydrophobicContact CD2-CB 4.1Å; L932-A984 HydrophobicContact CG-CB 4.47Å
933R86.4Confident89.6Confident193 Ų19344.9 Ų44.973%0.72825%0.247SC*.THydrogen-bonded Turntrans-61-36.4175.3-76.2166.8-166.3-150.55114.1S931 E935 G936 N982S931-R933 VanDerWaalsContact C-N 3.27Å; S931-R933 PolarHBondContact O-N 3.2Å; S931-R933 VanDerWaalsContact O-N 3.12Å; R933-E935 VanDerWaalsContact C-N 3.32Å; R933-G936 PolarHBondContact O-N 2.83Å; R933-N982 WeakPolarHBondContact CD-OD1 3.25Å; R933-N982 WeakPolarHBondContact CG-OD1 3.46Å; R933-N982 PolarHBondContact N-OD1 3.05Å; R933-N982 VanDerWaalsContact N-OD1 3.11Å
934E87.2Confident89.7Confident162 Ų16246.3 Ų46.376%0.75726%0.259SS*.THydrogen-bonded Turntrans-72.9-30.6-178.5-59.8-179162.600111.1S931 L932 G936S931-E934 VanDerWaalsContact CB-OE2 3.29Å; S931-E934 WeakPolarHBondContact CB-OE2 3.41Å; S931-E934 WeakPolarHBondContact O-CB 3.38Å; S931-E934 PolarHBondContact O-N 2.98Å; S931-E934 PolarHBondContact OG-OE2 3.09Å; L932-E934 VanDerWaalsContact C-N 3.34Å; L932-E934 PolarHBondContact O-N 2.9Å; E934-G936 PolarHBondContact O-N 2.97Å
935E83.8Confident89.9Confident67 Ų6745.9 Ų45.931%0.31326%0.257SS..THydrogen-bonded Turntrans-80.89.4176.5-65-174.4142.900113.7R927 T929 S931 L932 R933 G940 F941R927-E935 IonicContact NH2-OE1 2.69Å; T929-E935 VanDerWaalsContact CB-OE2 3.27Å; T929-E935 WeakPolarHBondContact CB-OE2 3.14Å; T929-E935 WeakPolarHBondContact CG2-OE2 3.43Å; T929-E935 PolarHBondContact OG1-OE2 2.99Å; S931-E935 PolarHBondContact O-N 2.79Å; L932-E935 PolarHBondContact O-N 2.8Å; R933-E935 VanDerWaalsContact C-N 3.32Å; E935-G940 CarbonylContact O-C 3.57Å; E935-G940 WeakPolarHBondContact O-CA 3.31Å; E935-F941 VanDerWaalsContact OE2-CD2 3.24Å; E935-F941 WeakPolarHBondContact OE2-CD2 3.48Å
936G85.1Confident89.9Confident60 Ų6046.2 Ų46.262%0.61926%0.259SS*.THydrogen-bonded Turntrans83.223.6-179.400000114.1R933 E934R933-G936 PolarHBondContact O-N 2.83Å; E934-G936 PolarHBondContact O-N 2.97Å
937G88.6Confident89.8Confident23 Ų2348.6 Ų48.624%0.23728%0.279CS..SBendtrans77.6-172.9-179.400000113.2L932 S939 G940 F941L932-G937 VanDerWaalsContact O-CA 3.26Å; L932-G937 WeakPolarHBondContact O-CA 3.19Å; L932-G937 PolarHBondContact O-N 3.41Å; G937-S939 VanDerWaalsContact C-N 3.27Å; G937-S939 PolarHBondContact O-N 2.76Å; G937-G940 PolarHBondContact O-N 2.83Å; G937-F941 PolarHBondContact O-N 3.39Å
938V87.8Confident89.9Confident23 Ų2349.5 Ų49.514%0.13928%0.284CS..Hα-helixtrans-50.4-44.6-178.6178.40000112.7V749 L932 G940 L942 L975 E977V749-V938 HydrophobicContact CB-CG1 4.02Å; V749-V938 HydrophobicContact CG1-CG1 4.43Å; V749-V938 HydrophobicContact CG2-CG1 3.87Å; L932-V938 HydrophobicContact CD1-CG2 4.44Å; L932-V938 HydrophobicContact CD2-CG2 3.85Å; V938-G940 PolarHBondContact O-N 3.42Å; V938-L942 HydrophobicContact CG1-CD1 3.76Å; V938-L942 HydrophobicContact CG1-CG 4.32Å; V938-L942 WeakPolarHBondContact O-CB 3.18Å; V938-L942 VanDerWaalsContact O-CG 3.29Å; V938-L942 WeakPolarHBondContact O-CG 2.99Å; V938-L942 PolarHBondContact O-N 3.22Å; V938-L975 HydrophobicContact CG1-CD2 3.47Å; V938-L975 VanDerWaalsContact CG1-CD2 3.47Å; V938-E977 VanDerWaalsContact CG2-OE2 3.28Å; V938-E977 WeakPolarHBondContact CG2-OE2 3.01Å
939S86.1Confident90Very high50 Ų5048.4 Ų48.435%0.3528%0.278SS..Hα-helixtrans-69.1-32.2-179.1-176.10000113.4R748 G937 H943R748-S939 PolarHBondContact NH1-OG 3.11Å; G937-S939 VanDerWaalsContact C-N 3.27Å; G937-S939 PolarHBondContact O-N 2.76Å; S939-H943 VanDerWaalsContact O-CB 3.29Å; S939-H943 WeakPolarHBondContact O-CB 3.43Å; S939-H943 PolarHBondContact O-N 2.93Å
940G90.3Very high90.2Very high25 Ų2549.7 Ų49.726%0.25828%0.283SS..Hα-helixtrans-73.4-46178.100000111.1E935 G937 V938 H943 S944E935-G940 CarbonylContact O-C 3.57Å; E935-G940 WeakPolarHBondContact O-CA 3.31Å; G937-G940 PolarHBondContact O-N 2.83Å; V938-G940 PolarHBondContact O-N 3.42Å; G940-H943 PolarHBondContact O-N 3.4Å; G940-S944 PolarHBondContact O-N 2.86Å
941F92.5Very high90.4Very high2 Ų248.2 Ų48.21%0.00928%0.279CS..Hα-helixtrans-54.2-54.9172.5171.1-114.3000112.4R927 T929 L932 E935 G937 H943 S944 F945 A984 C986R927-F941 HydrophobicContact CB-CE2 4.28Å; R927-F941 HydrophobicContact CB-CZ 4.03Å; R927-F941 HydrophobicContact CG-CE2 3.53Å; R927-F941 HydrophobicContact CG-CZ 3.8Å; T929-F941 HydrophobicContact CG2-CD1 4.5Å; T929-F941 HydrophobicContact CG2-CD2 3.63Å; T929-F941 HydrophobicContact CG2-CE1 4.5Å; T929-F941 HydrophobicContact CG2-CE2 3.63Å; T929-F941 HydrophobicContact CG2-CG 4.07Å; T929-F941 HydrophobicContact CG2-CZ 4.1Å; L932-F941 HydrophobicContact CD1-CB 3.77Å; L932-F941 HydrophobicContact CD1-CD1 4.35Å; L932-F941 HydrophobicContact CD1-CG 4.15Å; E935-F941 VanDerWaalsContact OE2-CD2 3.24Å; E935-F941 WeakPolarHBondContact OE2-CD2 3.48Å; G937-F941 PolarHBondContact O-N 3.39Å; F941-H943 VanDerWaalsContact C-N 3.31Å; F941-H943 PolarHBondContact O-N 2.94Å; F941-S944 PolarHBondContact O-N 3.25Å; F941-F945 WeakPolarHBondContact O-CB 3.36Å; F941-F945 PolarHBondContact O-N 2.96Å; F941-A984 HydrophobicContact CD1-CB 4.33Å; F941-A984 HydrophobicContact CE1-CB 4.17Å; F941-C986 HydrophobicContact CE1-CB 3.61Å; F941-C986 HydrophobicContact CZ-CB 4.11Å
942L92.2Very high90.7Very high3 Ų346.9 Ų46.92%0.01627%0.269CS..Hα-helixtrans-60.4-39.4179.4-73.1172000112.4V747 V749 V938 F945 I946 L975 C986V747-L942 HydrophobicContact CB-CD1 4.3Å; V747-L942 HydrophobicContact CG1-CD1 3.84Å; V749-L942 HydrophobicContact CG2-CD1 3.84Å; V938-L942 HydrophobicContact CG1-CD1 3.76Å; V938-L942 HydrophobicContact CG1-CG 4.32Å; V938-L942 WeakPolarHBondContact O-CB 3.18Å; V938-L942 VanDerWaalsContact O-CG 3.29Å; V938-L942 WeakPolarHBondContact O-CG 2.99Å; V938-L942 PolarHBondContact O-N 3.22Å; L942-F945 PolarHBondContact O-N 3.38Å; L942-I946 WeakPolarHBondContact O-CB 3.33Å; L942-I946 WeakPolarHBondContact O-CD1 3.44Å; L942-I946 VanDerWaalsContact O-CG1 3.23Å; L942-I946 WeakPolarHBondContact O-CG1 3.5Å; L942-I946 PolarHBondContact O-N 3.45Å; L942-L975 HydrophobicContact CD2-CD1 4.49Å; L942-C986 HydrophobicContact CD2-CB 4.11Å; L942-C986 WeakPolarHBondContact CD2-SG 3.44Å
943H90.6Very high91.1Very high139 Ų13946.7 Ų46.764%0.64427%0.268SS*.Hα-helixtrans-67.9-41.3178.9-177.3-81.9000112.1S939 G940 F941 A947S939-H943 VanDerWaalsContact O-CB 3.29Å; S939-H943 WeakPolarHBondContact O-CB 3.43Å; S939-H943 PolarHBondContact O-N 2.93Å; G940-H943 PolarHBondContact O-N 3.4Å; F941-H943 VanDerWaalsContact C-N 3.31Å; F941-H943 PolarHBondContact O-N 2.94Å; H943-A947 WeakPolarHBondContact O-CB 3.45Å; H943-A947 PolarHBondContact O-N 2.67Å; H943-A947 VanDerWaalsContact O-N 3.15Å
944S92.8Very high91.4Very high54 Ų5441 Ų4138%0.37825%0.246SC..Hα-helixtrans-61.5-47.7173.2-167.20000110.5G940 F941 I946 A947 E948G940-S944 PolarHBondContact O-N 2.86Å; F941-S944 PolarHBondContact O-N 3.25Å; S944-I946 PolarHBondContact O-N 2.99Å; S944-A947 WeakPolarHBondContact O-CB 3.34Å; S944-A947 PolarHBondContact O-N 3.41Å; S944-A947 VanDerWaalsContact O-N 3.09Å; S944-E948 WeakPolarHBondContact O-CG 3.4Å; S944-E948 PolarHBondContact O-N 3.06Å; S944-E948 PolarHBondContact OG-OE1 2.93Å; S944-E948 VanDerWaalsContact OG-OE1 3.04Å
945F94.8Very high91.8Very high1 Ų134 Ų340%0.00422%0.217CC..Hα-helixtrans-62.4-44.3-177.8-176.7-150.5000112.4Y112 F925 R927 F941 L942 A947 E948 V949 C986 I988Y112-F945 VanDerWaalsContact OH-CE2 3.28Å; Y112-F945 WeakPolarHBondContact OH-CE2 3.26Å; F925-F945 HydrophobicContact CB-CE2 3.8Å; F925-F945 HydrophobicContact CB-CZ 3.66Å; R927-F945 HydrophobicContact CB-CD1 3.8Å; R927-F945 HydrophobicContact CB-CD2 3.64Å; R927-F945 HydrophobicContact CB-CE1 3.71Å; R927-F945 HydrophobicContact CB-CE2 3.59Å; R927-F945 HydrophobicContact CB-CG 3.78Å; R927-F945 HydrophobicContact CB-CZ 3.61Å; R927-F945 HydrophobicContact CG-CB 4.5Å; R927-F945 HydrophobicContact CG-CD2 3.98Å; R927-F945 HydrophobicContact CG-CE2 4.36Å; R927-F945 HydrophobicContact CG-CG 4.09Å; F941-F945 WeakPolarHBondContact O-CB 3.36Å; F941-F945 PolarHBondContact O-N 2.96Å; L942-F945 PolarHBondContact O-N 3.38Å; F945-A947 VanDerWaalsContact C-N 3.29Å; F945-A947 PolarHBondContact O-N 3.25Å; F945-E948 WeakPolarHBondContact O-CB 3.49Å; F945-E948 PolarHBondContact O-N 3.47Å; F945-V949 HydrophobicContact CD2-CG2 3.98Å; F945-V949 HydrophobicContact CE2-CG2 3.66Å; F945-V949 HydrophobicContact CZ-CG2 4.21Å; F945-V949 WeakPolarHBondContact O-CG2 2.78Å; F945-V949 PolarHBondContact O-N 3.45Å; F945-C986 HydrophobicContact CD1-CB 3.97Å; F945-C986 HydrophobicContact CE1-CB 3.99Å; F945-C986 WeakPolarHBondContact CE1-O 3.49Å; F945-I988 HydrophobicContact CD1-CD1 3.4Å; F945-I988 HydrophobicContact CD1-CG1 3.97Å; F945-I988 HydrophobicContact CE1-CB 3.98Å; F945-I988 HydrophobicContact CE1-CD1 3.45Å; F945-I988 VanDerWaalsContact CE1-CD1 3.45Å; F945-I988 HydrophobicContact CE1-CG1 3.5Å; F945-I988 VanDerWaalsContact CE1-CG1 3.5Å; F945-I988 HydrophobicContact CG-CD1 4.08Å; F945-I988 HydrophobicContact CZ-CB 4.12Å; F945-I988 HydrophobicContact CZ-CD1 4.14Å; F945-I988 HydrophobicContact CZ-CG1 4.14Å
946I94.1Very high92.2Very high12 Ų1231.3 Ų31.36%0.06220%0.204CC..Hα-helixtrans-61.5-38.1174.7-68.5164.1000111.4T745 V747 L942 S944 V949 F950 I988T745-I946 HydrophobicContact CG2-CD1 4.49Å; V747-I946 HydrophobicContact CB-CD1 4.35Å; V747-I946 HydrophobicContact CG2-CD1 3.59Å; L942-I946 WeakPolarHBondContact O-CB 3.33Å; L942-I946 WeakPolarHBondContact O-CD1 3.44Å; L942-I946 VanDerWaalsContact O-CG1 3.23Å; L942-I946 WeakPolarHBondContact O-CG1 3.5Å; L942-I946 PolarHBondContact O-N 3.45Å; S944-I946 PolarHBondContact O-N 2.99Å; I946-V949 PolarHBondContact O-N 3.1Å; I946-F950 HydrophobicContact CG2-CD2 4.1Å; I946-F950 HydrophobicContact CG2-CE1 4.22Å; I946-F950 HydrophobicContact CG2-CE2 3.59Å; I946-F950 HydrophobicContact CG2-CZ 3.66Å; I946-F950 WeakPolarHBondContact O-CG 3.01Å; I946-F950 PolarHBondContact O-N 2.78Å; I946-I988 HydrophobicContact CG1-CD1 3.78Å
947A93.4Very high92.7Very high51 Ų5128.4 Ų28.442%0.42117%0.174SC..Hα-helixtrans-66.2-39176.600000112.1H943 S944 F945 F950 A951H943-A947 WeakPolarHBondContact O-CB 3.45Å; H943-A947 PolarHBondContact O-N 2.67Å; H943-A947 VanDerWaalsContact O-N 3.15Å; S944-A947 WeakPolarHBondContact O-CB 3.34Å; S944-A947 PolarHBondContact O-N 3.41Å; S944-A947 VanDerWaalsContact O-N 3.09Å; F945-A947 VanDerWaalsContact C-N 3.29Å; F945-A947 PolarHBondContact O-N 3.25Å; A947-F950 PolarHBondContact O-N 3.44Å; A947-A951 PolarHBondContact O-N 3.47Å
948E94.8Very high92.9Very high28 Ų2829 Ų2913%0.13118%0.177CC..Hα-helixtrans-61.7-49.3172.6-69.2164.5-144.900110.8G117 I118 R927 S944 F945 F950 A951 M952G117-E948 VanDerWaalsContact CA-OE2 3.24Å; G117-E948 WeakPolarHBondContact CA-OE2 3.19Å; I118-E948 HydrophobicContact CD1-CB 3.91Å; I118-E948 HydrophobicContact CD1-CG 4.04Å; I118-E948 HydrophobicContact CG1-CB 4.2Å; I118-E948 HydrophobicContact CG1-CG 4.17Å; R927-E948 IonicContact NE-OE2 3.8Å; S944-E948 WeakPolarHBondContact O-CG 3.4Å; S944-E948 PolarHBondContact O-N 3.06Å; S944-E948 PolarHBondContact OG-OE1 2.93Å; S944-E948 VanDerWaalsContact OG-OE1 3.04Å; F945-E948 WeakPolarHBondContact O-CB 3.49Å; F945-E948 PolarHBondContact O-N 3.47Å; E948-F950 VanDerWaalsContact C-N 3.3Å; E948-F950 PolarHBondContact O-N 2.91Å; E948-A951 WeakPolarHBondContact O-CB 3.26Å; E948-A951 PolarHBondContact O-N 3.26Å; E948-M952 WeakPolarHBondContact O-CG 3.4Å; E948-M952 PolarHBondContact O-N 2.89Å
949V95.2Very high93.1Very high1 Ų128.2 Ų28.21%0.00617%0.173CC..Hα-helixtrans-56-43.9176.1171.40000111.2F925 F945 I946 A951 M952 V953 I988 V990F925-V949 HydrophobicContact CB-CG2 4.17Å; F925-V949 HydrophobicContact CD2-CB 4.3Å; F925-V949 HydrophobicContact CD2-CG1 3.85Å; F925-V949 HydrophobicContact CD2-CG2 3.67Å; F925-V949 HydrophobicContact CE2-CB 4.47Å; F925-V949 HydrophobicContact CE2-CG1 3.81Å; F925-V949 HydrophobicContact CE2-CG2 4.29Å; F925-V949 HydrophobicContact CG-CG2 3.99Å; F945-V949 HydrophobicContact CD2-CG2 3.98Å; F945-V949 HydrophobicContact CE2-CG2 3.66Å; F945-V949 HydrophobicContact CZ-CG2 4.21Å; F945-V949 WeakPolarHBondContact O-CG2 2.78Å; F945-V949 PolarHBondContact O-N 3.45Å; I946-V949 PolarHBondContact O-N 3.1Å; V949-A951 PolarHBondContact O-N 3.5Å; V949-M952 PolarHBondContact O-N 2.95Å; V949-V953 HydrophobicContact CG1-CG2 4.45Å; V949-V953 WeakPolarHBondContact O-CG2 3.49Å; V949-V953 PolarHBondContact O-N 3.43Å; V949-I988 HydrophobicContact CG1-CG2 4.38Å; V949-I988 HydrophobicContact CG2-CB 4.48Å; V949-I988 HydrophobicContact CG2-CD1 4.47Å; V949-I988 HydrophobicContact CG2-CG2 4.36Å; V949-V990 HydrophobicContact CG1-CB 4.46Å; V949-V990 HydrophobicContact CG1-CG1 3.64Å; V949-V990 HydrophobicContact CG1-CG2 3.99Å
950F94.1Very high93.3Very high34 Ų3426.4 Ų26.415%0.14916%0.159CC..Hα-helixtrans-64.1-38.7175.2-69.8-21.5000113.4M743 M903 I946 A947 E948 M952 R954 Y968M743-F950 HydrophobicContact CE-CE1 3.8Å; M743-F950 HydrophobicContact CE-CZ 3.73Å; M903-F950 HydrophobicContact CE-CD1 3.96Å; M903-F950 HydrophobicContact CE-CE1 4.37Å; M903-F950 HydrophobicContact SD-CD1 4.24Å; I946-F950 HydrophobicContact CG2-CD2 4.1Å; I946-F950 HydrophobicContact CG2-CE1 4.22Å; I946-F950 HydrophobicContact CG2-CE2 3.59Å; I946-F950 HydrophobicContact CG2-CZ 3.66Å; I946-F950 WeakPolarHBondContact O-CG 3.01Å; I946-F950 PolarHBondContact O-N 2.78Å; A947-F950 PolarHBondContact O-N 3.44Å; E948-F950 VanDerWaalsContact C-N 3.3Å; E948-F950 PolarHBondContact O-N 2.91Å; F950-M952 VanDerWaalsContact C-N 3.31Å; F950-R954 WeakPolarHBondContact O-CB 3.21Å; F950-R954 WeakPolarHBondContact O-CG 3.48Å; F950-R954 PolarHBondContact O-N 3.46Å; F950-Y968 HydrophobicContact CE1-CE1 4.42Å; F950-Y968 HydrophobicContact CE1-CE2 4.32Å; F950-Y968 AromaticContact CE1-CZ 3.82Å; F950-Y968 WeakPolarHBondContact CE1-OH 3.45Å
951A93.8Very high93.3Very high43 Ų4327.5 Ų27.536%0.35517%0.171SC..Hα-helixtrans-63.6-41.3175.400000110.8I118 A947 E948 V949 A955I118-A951 HydrophobicContact CD1-CB 3.93Å; A947-A951 PolarHBondContact O-N 3.47Å; E948-A951 WeakPolarHBondContact O-CB 3.26Å; E948-A951 PolarHBondContact O-N 3.26Å; V949-A951 PolarHBondContact O-N 3.5Å; A951-A955 WeakPolarHBondContact O-CB 3.36Å; A951-A955 PolarHBondContact O-N 2.72Å
952M94Very high93.2Very high8 Ų827.6 Ų27.64%0.03917%0.172CC..Hα-helixtrans-63.7-50.2177-66-171.378.300112.1P110 Y112 I118 F925 E948 V949 F950 R954 A955 H956P110-M952 HydrophobicContact CB-CG 4.27Å; P110-M952 HydrophobicContact CG-CG 4.42Å; Y112-M952 VanDerWaalsContact CB-CE 3.48Å; Y112-M952 HydrophobicContact CD2-CE 4.23Å; Y112-M952 HydrophobicContact CD2-SD 3.49Å; Y112-M952 WeakPolarHBondContact CD2-SD 3.44Å; Y112-M952 HydrophobicContact CE2-SD 4.15Å; Y112-M952 HydrophobicContact CG-CE 3.88Å; Y112-M952 HydrophobicContact CG-SD 3.75Å; I118-M952 HydrophobicContact CD1-CG 4.33Å; F925-M952 HydrophobicContact CD1-CE 4.18Å; F925-M952 HydrophobicContact CD1-SD 3.77Å; F925-M952 HydrophobicContact CE1-CB 4.27Å; F925-M952 HydrophobicContact CE1-CE 3.42Å; F925-M952 VanDerWaalsContact CE1-CE 3.42Å; F925-M952 HydrophobicContact CE1-CG 4.46Å; F925-M952 HydrophobicContact CE1-SD 3.32Å; F925-M952 WeakPolarHBondContact CE1-SD 3.2Å; F925-M952 HydrophobicContact CZ-CB 3.98Å; F925-M952 HydrophobicContact CZ-CE 4.22Å; F925-M952 HydrophobicContact CZ-SD 3.99Å; E948-M952 WeakPolarHBondContact O-CG 3.4Å; E948-M952 PolarHBondContact O-N 2.89Å; V949-M952 PolarHBondContact O-N 2.95Å; F950-M952 VanDerWaalsContact C-N 3.31Å; M952-R954 VanDerWaalsContact C-N 3.34Å; M952-R954 PolarHBondContact O-N 3.18Å; M952-A955 PolarHBondContact O-N 2.76Å; M952-H956 PolarHBondContact O-N 3.31Å; M952-H956 VanDerWaalsContact O-N 3.09Å; M952-H956 PolarHBondContact O-ND1 3.42Å
953V94.9Very high93.3Very high2 Ų229.7 Ų29.71%0.01218%0.184CC..Hα-helixtrans-59.8-44.5178.9173.10000111.1M903 I921 M923 V949 A955 H956 V957 V965 V990M903-V953 HydrophobicContact CE-CB 4.07Å; M903-V953 HydrophobicContact CE-CG1 3.63Å; M903-V953 HydrophobicContact SD-CG1 4.43Å; I921-V953 HydrophobicContact CG2-CG1 4.41Å; M923-V953 HydrophobicContact SD-CG2 4.34Å; V949-V953 HydrophobicContact CG1-CG2 4.45Å; V949-V953 WeakPolarHBondContact O-CG2 3.49Å; V949-V953 PolarHBondContact O-N 3.43Å; V953-A955 VanDerWaalsContact C-N 3.34Å; V953-A955 PolarHBondContact O-N 3.28Å; V953-H956 PolarHBondContact O-N 3.24Å; V953-V957 WeakPolarHBondContact O-CG2 3.35Å; V953-V957 PolarHBondContact O-N 3.4Å; V953-V957 VanDerWaalsContact O-N 3.11Å; V953-V965 HydrophobicContact CG1-CG2 4.2Å; V953-V990 HydrophobicContact CG2-CG2 3.66Å
954R94.6Very high93.4Very high72 Ų7223.1 Ų23.127%0.27215%0.153SC..Hα-helixtrans-62.4-40.4178-70.9178.1-148.7-105.34.4112.3V901 M903 F950 M952 A958V901-R954 HydrophobicContact CB-CB 4.12Å; V901-R954 HydrophobicContact CB-CG 4.07Å; V901-R954 HydrophobicContact CG1-CG 4.49Å; V901-R954 PolarHBondContact O-NH1 2.88Å; M903-R954 HydrophobicContact CG-CG 4.36Å; M903-R954 HydrophobicContact SD-CG 3.8Å; F950-R954 WeakPolarHBondContact O-CB 3.21Å; F950-R954 WeakPolarHBondContact O-CG 3.48Å; F950-R954 PolarHBondContact O-N 3.46Å; M952-R954 VanDerWaalsContact C-N 3.34Å; M952-R954 PolarHBondContact O-N 3.18Å; R954-A958 VanDerWaalsContact O-CB 3.27Å; R954-A958 WeakPolarHBondContact O-CB 3.48Å; R954-A958 PolarHBondContact O-N 2.81Å
955A94.1Very high93.5Very high17 Ų1720.6 Ų20.614%0.1414%0.135CC..Hα-helixtrans-64.9-44.4179.700000112.2P110 A951 M952 V953 V957 A958 A959P110-A955 HydrophobicContact CG-CB 3.87Å; A951-A955 WeakPolarHBondContact O-CB 3.36Å; A951-A955 PolarHBondContact O-N 2.72Å; M952-A955 PolarHBondContact O-N 2.76Å; V953-A955 VanDerWaalsContact C-N 3.34Å; V953-A955 PolarHBondContact O-N 3.28Å; A955-V957 PolarHBondContact O-N 2.99Å; A955-A958 PolarHBondContact O-N 2.8Å; A955-A959 WeakPolarHBondContact O-CB 3.32Å; A955-A959 PolarHBondContact O-N 3.22Å
956H93.2Very high93.5Very high9 Ų920.5 Ų20.54%0.04214%0.135CC..Hα-helixtrans-63.8-42.1177.8-72.781.4000112Y90 F109 M923 M952 V953 A959 L960Y90-H956 PolarHBondContact O-NE2 3.46Å; F109-H956 AromaticContact CD1-CD2 3.75Å; F109-H956 AromaticContact CD1-CE1 3.98Å; F109-H956 AromaticContact CD1-NE2 3.68Å; F109-H956 HydrophobicContact CE1-CB 4.49Å; F109-H956 AromaticContact CE1-CD2 3.57Å; F109-H956 AromaticContact CE1-CG 3.98Å; F109-H956 AromaticContact CE1-NE2 3.96Å; M923-H956 HydrophobicContact CE-CB 3.55Å; M923-H956 WeakPolarHBondContact CE-CD2 3.42Å; M952-H956 PolarHBondContact O-N 3.31Å; M952-H956 VanDerWaalsContact O-N 3.09Å; M952-H956 PolarHBondContact O-ND1 3.42Å; V953-H956 PolarHBondContact O-N 3.24Å; H956-A959 PolarHBondContact O-N 2.78Å; H956-L960 WeakPolarHBondContact O-CG 3.19Å; H956-L960 PolarHBondContact O-N 2.96Å
957V93.9Very high93.4Very high0 Ų020.6 Ų20.60%014%0.136CC..Hα-helixtrans-68.5-39.9178.51740000111.4V901 I921 V953 A955 A959 L960 G961 G962 V965 A994V901-V957 HydrophobicContact CG1-CB 4.05Å; V901-V957 HydrophobicContact CG1-CG1 3.67Å; V901-V957 HydrophobicContact CG2-CG1 4.39Å; I921-V957 HydrophobicContact CD1-CG2 3.92Å; I921-V957 HydrophobicContact CG1-CG2 3.7Å; V953-V957 WeakPolarHBondContact O-CG2 3.35Å; V953-V957 PolarHBondContact O-N 3.4Å; V953-V957 VanDerWaalsContact O-N 3.11Å; A955-V957 PolarHBondContact O-N 2.99Å; V957-A959 VanDerWaalsContact C-N 3.29Å; V957-A959 PolarHBondContact O-N 2.97Å; V957-L960 PolarHBondContact O-N 3.4Å; V957-G961 PolarHBondContact O-N 3.45Å; V957-G962 WeakPolarHBondContact O-CA 3.48Å; V957-G962 PolarHBondContact O-N 3.37Å; V957-V965 HydrophobicContact CB-CG2 4.19Å; V957-V965 HydrophobicContact CG1-CG2 4.07Å; V957-V965 HydrophobicContact CG2-CG2 3.64Å; V957-A994 HydrophobicContact CG1-CB 4.14Å; V957-A994 HydrophobicContact CG2-CB 4Å
958A93.5Very high93.5Very high36 Ų3618.4 Ų18.430%0.29812%0.117SC..Hα-helixtrans-61.2-39.7172.600000111.5V901 R954 A955 L960 G961V901-A958 HydrophobicContact CG2-CB 3.87Å; R954-A958 VanDerWaalsContact O-CB 3.27Å; R954-A958 WeakPolarHBondContact O-CB 3.48Å; R954-A958 PolarHBondContact O-N 2.81Å; A955-A958 PolarHBondContact O-N 2.8Å; A958-L960 VanDerWaalsContact C-N 3.31Å; A958-L960 PolarHBondContact O-N 3.39Å; A958-G961 WeakPolarHBondContact O-CA 3.08Å; A958-G961 PolarHBondContact O-N 2.98Å
959A91.9Very high93.4Very high5 Ų518.6 Ų18.64%0.04112%0.122CC..Hα-helixtrans-67.9-29.9178.700000113.1I105 S106 F109 A955 H956 V957 G961I105-A959 HydrophobicContact CD1-CB 4.16Å; I105-A959 VanDerWaalsContact CG1-C 3.49Å; I105-A959 HydrophobicContact CG1-CB 3.76Å; I105-A959 WeakPolarHBondContact CG1-O 3.28Å; S106-A959 PolarHBondContact N-O 3.39Å; S106-A959 VanDerWaalsContact O-CA 3.3Å; S106-A959 WeakPolarHBondContact O-CA 3.49Å; F109-A959 HydrophobicContact CE1-CB 3.73Å; F109-A959 HydrophobicContact CE2-CB 3.89Å; F109-A959 HydrophobicContact CZ-CB 3.28Å; A955-A959 WeakPolarHBondContact O-CB 3.32Å; A955-A959 PolarHBondContact O-N 3.22Å; H956-A959 PolarHBondContact O-N 2.78Å; V957-A959 VanDerWaalsContact C-N 3.29Å; V957-A959 PolarHBondContact O-N 2.97Å; A959-G961 PolarHBondContact O-N 3.28Å
960L90.8Very high93.2Very high12 Ų1218.8 Ų18.86%0.06312%0.123CC..THydrogen-bonded Turntrans-72.6-7.4170-70170.5000113P95 L96 I105 L918 I921 H956 V957 A958 A994P95-L960 HydrophobicContact CB-CD1 4.26Å; P95-L960 HydrophobicContact CB-CD2 3.95Å; P95-L960 HydrophobicContact CG-CD1 4.46Å; L96-L960 HydrophobicContact CD2-CD2 4.05Å; I105-L960 HydrophobicContact CB-CD2 4.2Å; I105-L960 HydrophobicContact CD1-CD2 3.69Å; I105-L960 HydrophobicContact CD1-CG 3.94Å; I105-L960 HydrophobicContact CG1-CD2 3.91Å; I105-L960 HydrophobicContact CG1-CG 4.24Å; L918-L960 HydrophobicContact CD1-CB 4.13Å; I921-L960 HydrophobicContact CD1-CD1 3.79Å; H956-L960 WeakPolarHBondContact O-CG 3.19Å; H956-L960 PolarHBondContact O-N 2.96Å; V957-L960 PolarHBondContact O-N 3.4Å; A958-L960 VanDerWaalsContact C-N 3.31Å; A958-L960 PolarHBondContact O-N 3.39Å; L960-A994 HydrophobicContact CD1-CB 4.29Å
961G90.2Very high92.4Very high49 Ų4919 Ų1951%0.50512%0.124SC..THydrogen-bonded Turntrans82.712.2-173.100000114V957 A958 A959V957-G961 PolarHBondContact O-N 3.45Å; A958-G961 WeakPolarHBondContact O-CA 3.08Å; A958-G961 PolarHBondContact O-N 2.98Å; A959-G961 PolarHBondContact O-N 3.28Å
962G91.1Very high91.8Very high4 Ų418.9 Ų18.94%0.04112%0.117CC..  trans-79.3153175.400000112.5L918 V957L918-G962 VanDerWaalsContact CD1-N 3.32Å; V957-G962 WeakPolarHBondContact O-CA 3.48Å; V957-G962 PolarHBondContact O-N 3.37Å
963N92.8Very high91.5Very high47 Ų4719.1 Ų19.125%0.25112%0.12SC..  trans-121.8-1.1175.468.6-9.4000113.4V901 K902 V995 I996 C997V901-N963 WeakPolarHBondContact CA-O 3.2Å; K902-N963 PolarHBondContact N-O 2.69Å; N963-V995 PolarHBondContact N-O 3.33Å; N963-V995 VanDerWaalsContact N-O 3.1Å; N963-V995 PolarHBondContact OD1-O 3.08Å; N963-I996 WeakPolarHBondContact OD1-CA 3.37Å; N963-C997 PolarHBondContact ND2-O 3.29Å; N963-C997 PolarHBondContact OD1-N 3.03Å; N963-C997 PolarHBondContact OD1-SG 2.66Å
964A93.6Very high91.1Very high0 Ų021.7 Ų21.70%014%0.135CC..EExtended strand (participates in β ladder)trans-149.9157.7172.100000113.5K902 L909 V995K902-A964 HydrophobicContact CB-CB 4.26Å; K902-A964 CarbonylContact O-C 3.58Å; K902-A964 WeakPolarHBondContact O-CA 3.37Å; L909-A964 HydrophobicContact CD1-CB 3.5Å; L909-A964 VanDerWaalsContact CD1-CB 3.5Å; A964-V995 HydrophobicContact CB-CG2 3.81Å; A964-V995 PolarHBondContact N-O 3.45Å; A964-V995 PolarHBondContact O-N 2.99Å
965V94.6Very high90.8Very high1 Ų118.4 Ų18.41%0.00612%0.123CC..EExtended strand (participates in β ladder)trans-117.9122.6167.9-171.10000108V901 K902 M903 T904 V953 V957 D993V901-V965 HydrophobicContact CG1-CG2 4.01Å; K902-V965 PolarHBondContact O-N 3.22Å; M903-V965 HydrophobicContact CG-CB 4.22Å; M903-V965 HydrophobicContact CG-CG2 4.18Å; T904-V965 PolarHBondContact N-O 2.72Å; V953-V965 HydrophobicContact CG1-CG2 4.2Å; V957-V965 HydrophobicContact CB-CG2 4.19Å; V957-V965 HydrophobicContact CG1-CG2 4.07Å; V957-V965 HydrophobicContact CG2-CG2 3.64Å; V965-D993 WeakPolarHBondContact CA-O 3.06Å
966V94.4Very high90.4Very high0 Ų021.2 Ų21.20%013%0.134CC..EExtended strand (participates in β ladder)trans-110.5162.4175.2-610000110.1T904 L906 L909 I914 Y917 Y968 D993 V995T904-V966 HydrophobicContact CG2-CB 4.38Å; T904-V966 HydrophobicContact CG2-CG1 4Å; T904-V966 CarbonylContact O-C 3.57Å; T904-V966 WeakPolarHBondContact O-CA 3.43Å; L906-V966 WeakPolarHBondContact O-CB 3.27Å; L909-V966 HydrophobicContact CG-CG1 4.39Å; I914-V966 HydrophobicContact CD1-CG1 4.4Å; Y917-V966 HydrophobicContact CE1-CG2 4.32Å; V966-Y968 PolarHBondContact O-N 3.26Å; V966-Y968 VanDerWaalsContact O-N 3.1Å; V966-D993 HydrophobicContact CG2-CB 3.8Å; V966-D993 PolarHBondContact N-O 2.81Å; V966-D993 PolarHBondContact O-N 3.02Å; V966-V995 HydrophobicContact CG1-CG2 3.92Å; V966-V995 HydrophobicContact CG2-CG1 3.79Å; V966-V995 HydrophobicContact CG2-CG2 4.36Å
967S93.8Very high89.9Confident13 Ų1322.8 Ų22.89%0.09114%0.141CC..EExtended strand (participates in β ladder)trans50.136.2-176.2-65.70000113.3T149 T904 P905 L906 S907 S969T149-S967 WeakPolarHBondContact CA-OG 2.99Å; T149-S967 PolarHBondContact OG1-OG 3.07Å; T904-S967 PolarHBondContact O-N 3.49Å; P905-S967 WeakPolarHBondContact O-CA 3.43Å; L906-S967 PolarHBondContact O-N 2.86Å; S907-S967 WeakPolarHBondContact CA-OG 3.42Å; S967-S969 PolarHBondContact O-N 3.17Å
968Y94.8Very high89.3Confident5 Ų525.5 Ų25.52%0.0216%0.156CC..EExtended strand (participates in β ladder)trans-60.3129.9173.3175-86.1000110.7M743 M903 T904 P905 F950 V966 M970 V990 S991M743-Y968 HydrophobicContact CE-CD1 3.15Å; M743-Y968 HydrophobicContact CE-CE1 3.11Å; M743-Y968 HydrophobicContact CE-CE2 4.45Å; M743-Y968 HydrophobicContact CE-CG 3.91Å; M743-Y968 HydrophobicContact SD-CD1 3.78Å; M743-Y968 HydrophobicContact SD-CE1 4.31Å; M743-Y968 HydrophobicContact SD-CG 4.07Å; M903-Y968 HydrophobicContact CE-CD2 3.48Å; M903-Y968 VanDerWaalsContact CE-CD2 3.48Å; M903-Y968 HydrophobicContact CE-CE2 3.52Å; M903-Y968 HydrophobicContact CE-CG 4.34Å; T904-Y968 WeakPolarHBondContact O-CB 3.37Å; T904-Y968 PolarHBondContact O-N 3.06Å; P905-Y968 VanDerWaalsContact CA-O 3.23Å; P905-Y968 WeakPolarHBondContact CA-O 3.31Å; P905-Y968 WeakPolarHBondContact CB-O 3.41Å; F950-Y968 HydrophobicContact CE1-CE1 4.42Å; F950-Y968 HydrophobicContact CE1-CE2 4.32Å; F950-Y968 AromaticContact CE1-CZ 3.82Å; F950-Y968 WeakPolarHBondContact CE1-OH 3.45Å; V966-Y968 PolarHBondContact O-N 3.26Å; V966-Y968 VanDerWaalsContact O-N 3.1Å; Y968-M970 HydrophobicContact CE1-CB 4.06Å; Y968-V990 HydrophobicContact CE2-CB 3.98Å; Y968-V990 HydrophobicContact CE2-CG1 4.09Å; Y968-V990 WeakPolarHBondContact OH-CG1 3.35Å; Y968-S991 CarbonylContact C-O 3.58Å; Y968-S991 VanDerWaalsContact CA-O 3.32Å; Y968-S991 WeakPolarHBondContact CA-O 3.5Å
969S91.5Very high88.6Confident33 Ų3325.9 Ų25.923%0.23116%0.155CC..EExtended strand (participates in β ladder)trans-137.2130.2172.5-178.20000110.6S967 V990 S991S967-S969 PolarHBondContact O-N 3.17Å; S969-V990 WeakPolarHBondContact O-CA 3.5Å; S969-S991 PolarHBondContact N-O 3.32Å; S969-S991 PolarHBondContact O-N 3.01Å; S969-S991 PolarHBondContact O-OG 3.15Å
970M91Very high88.1Confident5 Ų533 Ų333%0.02519%0.193CC..EExtended strand (participates in β ladder)trans-98.899.3166.4-175.2-178.879.100107.3T745 V747 T809 Y968 C973 I988 V990T745-M970 HydrophobicContact CG2-CE 3.59Å; T745-M970 HydrophobicContact CG2-SD 3.85Å; V747-M970 HydrophobicContact CG2-CE 4.02Å; T809-M970 HydrophobicContact CG2-CB 4.32Å; Y968-M970 HydrophobicContact CE1-CB 4.06Å; M970-C973 HydrophobicContact CE-CB 4.29Å; M970-I988 HydrophobicContact CG-CG2 4.09Å; M970-I988 HydrophobicContact SD-CG2 4.23Å; M970-V990 HydrophobicContact CG-CG1 4.39Å
971K78.6Confident87.7Confident38 Ų3838.8 Ų38.817%0.16522%0.217CC..EExtended strand (participates in β ladder)trans-83.2-54.4-172-66.4-172.9-171.3175.60111.8L223 Q224 N989L223-K971 HydrophobicContact CD1-CD 4.22Å; Q224-K971 VanDerWaalsContact O-CD 3.26Å; Q224-K971 WeakPolarHBondContact O-CD 3.39Å; Q224-K971 PolarHBondContact O-NZ 3.26Å; K971-N989 PolarHBondContact N-O 3.32Å
972D80.8Confident87.5Confident41 Ų4138.1 Ų38.122%0.21920%0.202CC..EExtended strand (participates in β ladder)trans-111129.9-174.1-50.4-55.3000109.4I988 N989D972-I988 WeakPolarHBondContact O-CA 3.31Å; D972-N989 HydrophobicContact CB-CB 4Å; D972-N989 PolarHBondContact O-N 3.15Å; D972-N989 PolarHBondContact OD2-ND2 3.25Å
973C87.9Confident87.3Confident13 Ų1340.7 Ų40.79%0.08821%0.213CC..EExtended strand (participates in β ladder)trans-13883.1172.5-179.10000107.1Q805 M970 L987Q805-C973 PolarHBondContact NE2-O 2.86Å; M970-C973 HydrophobicContact CE-CB 4.29Å; C973-L987 CarbonylContact C-O 3.58Å; C973-L987 WeakPolarHBondContact CA-O 3.49Å
974V86Confident87.2Confident56 Ų5638.6 Ų38.634%0.33920%0.202SC..EExtended strand (participates in β ladder)trans-94.1122-177-174.40000108.2L228 C986 L987L228-V974 HydrophobicContact CD1-CB 4.48Å; L228-V974 HydrophobicContact CD1-CG1 4.46Å; L228-V974 HydrophobicContact CD1-CG2 4.11Å; V974-C986 CarbonylContact O-C 3.4Å; V974-C986 VanDerWaalsContact O-CA 3.3Å; V974-C986 WeakPolarHBondContact O-CA 3.46Å; V974-C986 PolarHBondContact O-SG 3.03Å; V974-L987 HydrophobicContact CB-CB 4Å; V974-L987 HydrophobicContact CG2-CD2 4.49Å; V974-L987 PolarHBondContact N-O 2.97Å; V974-L987 PolarHBondContact O-N 3.37Å
975L88.2Confident87.1Confident2 Ų239.9 Ų39.91%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-108132.1176.417669.3000109.1V749 P799 V938 L942 A984 C986V749-L975 HydrophobicContact CG1-CD2 4.26Å; V749-L975 HydrophobicContact CG2-CD2 3.79Å; P799-L975 VanDerWaalsContact CB-O 3.31Å; P799-L975 WeakPolarHBondContact CB-O 3.5Å; V938-L975 HydrophobicContact CG1-CD2 3.47Å; V938-L975 VanDerWaalsContact CG1-CD2 3.47Å; L942-L975 HydrophobicContact CD2-CD1 4.49Å; L975-A984 HydrophobicContact CD1-CB 4.45Å; L975-C986 HydrophobicContact CD1-CB 4.21Å
976M85.7Confident87Confident77 Ų7739.9 Ų39.938%0.37921%0.208SC..EExtended strand (participates in β ladder)trans-123.3116.2171.8-62.3170.469.200107.4A984 Q985M976-A984 WeakPolarHBondContact O-CA 3.39Å; M976-Q985 HydrophobicContact CB-CB 4.46Å; M976-Q985 PolarHBondContact N-O 2.88Å; M976-Q985 PolarHBondContact O-N 3.42Å
977E82.7Confident86.9Confident42 Ų4240.3 Ų40.320%0.19621%0.211CC..EExtended strand (participates in β ladder)trans-107.2142.7179.5-166.3-176.7160.600110.3E800 L932 V938E800-E977 WeakPolarHBondContact OE1-CA 3.49Å; E800-E977 WeakPolarHBondContact OE1-CB 3.39Å; E800-E977 PolarHBondContact OE1-N 3.35Å; E800-E977 VanDerWaalsContact OE1-N 3.13Å; L932-E977 HydrophobicContact CD2-CG 4.06Å; V938-E977 VanDerWaalsContact CG2-OE2 3.28Å; V938-E977 WeakPolarHBondContact CG2-OE2 3.01Å
978N81.8Confident86.9Confident57 Ų5739.7 Ų39.731%0.30521%0.206SC..EExtended strand (participates in β ladder)trans-121.889.8163.5-165-39.2000108.9N980 K981 N982 Q983N978-N980 PolarHBondContact O-N 3.26Å; N978-N980 PolarHBondContact OD1-N 3.18Å; N978-K981 HydrophobicContact CB-CB 4.33Å; N978-K981 PolarHBondContact O-N 3.04Å; N978-K981 VanDerWaalsContact O-N 3.07Å; N978-K981 PolarHBondContact OD1-N 3.35Å; N978-N982 PolarHBondContact O-N 3.32Å; N978-N982 VanDerWaalsContact O-N 3.09Å; N978-Q983 HydrophobicContact CB-CB 4.26Å; N978-Q983 PolarHBondContact N-O 3.45Å; N978-Q983 PolarHBondContact O-N 3.38Å
979P77.8Confident86.8Confident43 Ų4339.5 Ų39.528%0.27921%0.205SC..THydrogen-bonded Turntrans-63.6-28.2-17323.4-33.3000112.5K981 N982P979-K981 VanDerWaalsContact C-N 3.33Å; P979-N982 PolarHBondContact O-N 2.86Å
980N81.4Confident86.9Confident155 Ų15538 Ų3883%0.82920%0.195SC*.THydrogen-bonded Turntrans-70.2-32178.9-65.5-24.4000112.2N978N978-N980 PolarHBondContact O-N 3.26Å; N978-N980 PolarHBondContact OD1-N 3.18Å
981K82.6Confident87.1Confident133 Ų13338 Ų3858%0.57820%0.196SC*.THydrogen-bonded Turntrans-980.4179.5-65.1-175.6-178.6176.60113.3N978 P979 Q983N978-K981 HydrophobicContact CB-CB 4.33Å; N978-K981 PolarHBondContact O-N 3.04Å; N978-K981 VanDerWaalsContact O-N 3.07Å; N978-K981 PolarHBondContact OD1-N 3.35Å; P979-K981 VanDerWaalsContact C-N 3.33Å; K981-Q983 HydrophobicContact CB-CB 4.1Å; K981-Q983 HydrophobicContact CB-CG 4Å; K981-Q983 VanDerWaalsContact CD-OE1 3.26Å; K981-Q983 PolarHBondContact O-N 2.92Å
982N86.1Confident87.8Confident36 Ų3636.2 Ų36.219%0.19319%0.188CC..THydrogen-bonded Turntrans5430.9-172-166.947.8000112.4T930 S931 L932 R933 N978 P979T930-N982 CarbonylContact C-O 3.39Å; T930-N982 VanDerWaalsContact O-O 3.09Å; S931-N982 WeakPolarHBondContact CA-ND2 3.39Å; L932-N982 WeakPolarHBondContact CB-O 3.39Å; L932-N982 PolarHBondContact N-ND2 3.32Å; L932-N982 PolarHBondContact N-O 3.23Å; L932-N982 VanDerWaalsContact N-O 3.14Å; R933-N982 WeakPolarHBondContact CD-OD1 3.25Å; R933-N982 WeakPolarHBondContact CG-OD1 3.46Å; R933-N982 PolarHBondContact N-OD1 3.05Å; R933-N982 VanDerWaalsContact N-OD1 3.11Å; N978-N982 PolarHBondContact O-N 3.32Å; N978-N982 VanDerWaalsContact O-N 3.09Å; P979-N982 PolarHBondContact O-N 2.86Å
983Q88Confident88.5Confident58 Ų5834.2 Ų34.227%0.27118%0.177SC..EExtended strand (participates in β ladder)trans-107143.8-175.9-82.3172.4-13.800109.9T929 T930 N978 K981T929-Q983 CarbonylContact O-C 3.55Å; T929-Q983 WeakPolarHBondContact O-CA 3.38Å; T930-Q983 HydrophobicContact CG2-CG 3.98Å; N978-Q983 HydrophobicContact CB-CB 4.26Å; N978-Q983 PolarHBondContact N-O 3.45Å; N978-Q983 PolarHBondContact O-N 3.38Å; K981-Q983 HydrophobicContact CB-CB 4.1Å; K981-Q983 HydrophobicContact CB-CG 4Å; K981-Q983 VanDerWaalsContact CD-OE1 3.26Å; K981-Q983 PolarHBondContact O-N 2.92Å
984A89.7Confident88.8Confident3 Ų333.6 Ų33.63%0.02517%0.173CC..EExtended strand (participates in β ladder)trans-142.7142.416800000109.9E928 T929 L932 F941 L975 M976E928-A984 CarbonylContact C-O 3.42Å; E928-A984 WeakPolarHBondContact CA-O 3.3Å; T929-A984 HydrophobicContact CG2-CB 4.01Å; T929-A984 PolarHBondContact N-O 3.42Å; T929-A984 PolarHBondContact O-N 3.03Å; L932-A984 HydrophobicContact CD1-CB 3.85Å; L932-A984 HydrophobicContact CD2-CB 4.1Å; L932-A984 HydrophobicContact CG-CB 4.47Å; F941-A984 HydrophobicContact CD1-CB 4.33Å; F941-A984 HydrophobicContact CE1-CB 4.17Å; L975-A984 HydrophobicContact CD1-CB 4.45Å; M976-A984 WeakPolarHBondContact O-CA 3.39Å
985Q91.1Very high89.1Confident26 Ų2631 Ų3112%0.12116%0.157CC..EExtended strand (participates in β ladder)trans-121.2134.2171.5-170.3-169.530.700107.6N189 I926 R927 E928 M976N189-Q985 PolarHBondContact OD1-NE2 2.85Å; I926-Q985 HydrophobicContact CG2-CG 4.24Å; R927-Q985 CarbonylContact O-C 3.46Å; R927-Q985 VanDerWaalsContact O-CA 3.31Å; R927-Q985 WeakPolarHBondContact O-CA 3.35Å; E928-Q985 HydrophobicContact CB-CG 4.41Å; E928-Q985 HydrophobicContact CG-CB 4.46Å; M976-Q985 HydrophobicContact CB-CB 4.46Å; M976-Q985 PolarHBondContact N-O 2.88Å; M976-Q985 PolarHBondContact O-N 3.42Å
986C92.6Very high89.2Confident1 Ų133.2 Ų33.21%0.00717%0.169CC..EExtended strand (participates in β ladder)trans-131.3140.3175.4-175.90000110.8R927 F941 L942 F945 V974 L975R927-C986 PolarHBondContact N-O 2.98Å; R927-C986 PolarHBondContact O-N 3.12Å; F941-C986 HydrophobicContact CE1-CB 3.61Å; F941-C986 HydrophobicContact CZ-CB 4.11Å; L942-C986 HydrophobicContact CD2-CB 4.11Å; L942-C986 WeakPolarHBondContact CD2-SG 3.44Å; F945-C986 HydrophobicContact CD1-CB 3.97Å; F945-C986 HydrophobicContact CE1-CB 3.99Å; F945-C986 WeakPolarHBondContact CE1-O 3.49Å; V974-C986 CarbonylContact O-C 3.4Å; V974-C986 VanDerWaalsContact O-CA 3.3Å; V974-C986 WeakPolarHBondContact O-CA 3.46Å; V974-C986 PolarHBondContact O-SG 3.03Å; L975-C986 HydrophobicContact CD1-CB 4.21Å
987L92.6Very high89.5Confident10 Ų1030 Ų305%0.05215%0.154CC..EExtended strand (participates in β ladder)trans-112127.3178.1-157.170.1000109.8L228 F924 F925 I926 C973 V974L228-L987 HydrophobicContact CD1-CD2 3.41Å; L228-L987 VanDerWaalsContact CD1-CD2 3.41Å; L228-L987 HydrophobicContact CD2-CD2 4.24Å; L228-L987 HydrophobicContact CG-CD2 4.31Å; F924-L987 HydrophobicContact CD2-CG 4.47Å; F924-L987 HydrophobicContact CE1-CD1 3.46Å; F924-L987 VanDerWaalsContact CE1-CD1 3.46Å; F924-L987 HydrophobicContact CE1-CG 4.21Å; F924-L987 HydrophobicContact CE2-CD1 3.65Å; F924-L987 HydrophobicContact CE2-CD2 3.46Å; F924-L987 VanDerWaalsContact CE2-CD2 3.46Å; F924-L987 HydrophobicContact CE2-CG 3.41Å; F924-L987 VanDerWaalsContact CE2-CG 3.41Å; F924-L987 HydrophobicContact CZ-CD1 2.95Å; F924-L987 HydrophobicContact CZ-CD2 3.41Å; F924-L987 VanDerWaalsContact CZ-CD2 3.41Å; F924-L987 HydrophobicContact CZ-CG 3.28Å; F925-L987 WeakPolarHBondContact O-CA 3.34Å; I926-L987 HydrophobicContact CB-CD1 4.25Å; I926-L987 HydrophobicContact CD1-CD1 4.12Å; I926-L987 HydrophobicContact CG1-CD1 3.2Å; C973-L987 CarbonylContact C-O 3.58Å; C973-L987 WeakPolarHBondContact CA-O 3.49Å; V974-L987 HydrophobicContact CB-CB 4Å; V974-L987 HydrophobicContact CG2-CD2 4.49Å; V974-L987 PolarHBondContact N-O 2.97Å; V974-L987 PolarHBondContact O-N 3.37Å
988I93.8Very high89.8Confident0 Ų030.8 Ų30.80%016%0.161CC..EExtended strand (participates in β ladder)trans-129.4126.9175.1-65.6177.5000110F925 F945 I946 V949 M970 D972 V990F925-I988 PolarHBondContact N-O 2.93Å; F925-I988 PolarHBondContact O-N 2.98Å; F945-I988 HydrophobicContact CD1-CD1 3.4Å; F945-I988 HydrophobicContact CD1-CG1 3.97Å; F945-I988 HydrophobicContact CE1-CB 3.98Å; F945-I988 HydrophobicContact CE1-CD1 3.45Å; F945-I988 VanDerWaalsContact CE1-CD1 3.45Å; F945-I988 HydrophobicContact CE1-CG1 3.5Å; F945-I988 VanDerWaalsContact CE1-CG1 3.5Å; F945-I988 HydrophobicContact CG-CD1 4.08Å; F945-I988 HydrophobicContact CZ-CB 4.12Å; F945-I988 HydrophobicContact CZ-CD1 4.14Å; F945-I988 HydrophobicContact CZ-CG1 4.14Å; I946-I988 HydrophobicContact CG1-CD1 3.78Å; V949-I988 HydrophobicContact CG1-CG2 4.38Å; V949-I988 HydrophobicContact CG2-CB 4.48Å; V949-I988 HydrophobicContact CG2-CD1 4.47Å; V949-I988 HydrophobicContact CG2-CG2 4.36Å; M970-I988 HydrophobicContact CG-CG2 4.09Å; M970-I988 HydrophobicContact SD-CG2 4.23Å; D972-I988 WeakPolarHBondContact O-CA 3.31Å; I988-V990 HydrophobicContact CG2-CG1 3.79Å
989N92.7Very high89.8Confident0 Ų034.5 Ų34.50%017%0.171CC..EExtended strand (participates in β ladder)trans-108.9127.6170.4175.133.4000110.3F226 M923 F924 K971 D972F226-N989 HydrophobicContact CD2-CB 4.32Å; F226-N989 WeakPolarHBondContact CD2-ND2 3.39Å; F226-N989 VanDerWaalsContact CE2-CG 3.49Å; F226-N989 VanDerWaalsContact CE2-ND2 3.25Å; F226-N989 WeakPolarHBondContact CE2-ND2 3.44Å; M923-N989 PolarHBondContact O-OD1 3.29Å; F924-N989 HydrophobicContact CD2-CB 4.21Å; K971-N989 PolarHBondContact N-O 3.32Å; D972-N989 HydrophobicContact CB-CB 4Å; D972-N989 PolarHBondContact O-N 3.15Å; D972-N989 PolarHBondContact OD2-ND2 3.25Å
990V94.3Very high89.5Confident1 Ų138.2 Ų38.21%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-127.1137.9178.5-61.50000111.3M923 F925 V949 V953 Y968 S969 M970 I988M923-V990 HydrophobicContact CB-CG2 4Å; M923-V990 PolarHBondContact N-O 2.93Å; M923-V990 PolarHBondContact O-N 3.33Å; F925-V990 HydrophobicContact CD2-CG2 4.45Å; F925-V990 HydrophobicContact CE2-CG2 3.88Å; V949-V990 HydrophobicContact CG1-CB 4.46Å; V949-V990 HydrophobicContact CG1-CG1 3.64Å; V949-V990 HydrophobicContact CG1-CG2 3.99Å; V953-V990 HydrophobicContact CG2-CG2 3.66Å; Y968-V990 HydrophobicContact CE2-CB 3.98Å; Y968-V990 HydrophobicContact CE2-CG1 4.09Å; Y968-V990 WeakPolarHBondContact OH-CG1 3.35Å; S969-V990 WeakPolarHBondContact O-CA 3.5Å; M970-V990 HydrophobicContact CG-CG1 4.39Å; I988-V990 HydrophobicContact CG2-CG1 3.79Å
991S94.2Very high88.6Confident6 Ų636.4 Ų36.44%0.04218%0.179CC..EExtended strand (participates in β ladder)trans-133.7154.7178.654.90000111.1I921 Y968 S969I921-S991 CarbonylContact O-C 3.47Å; I921-S991 WeakPolarHBondContact O-CA 3.45Å; Y968-S991 CarbonylContact C-O 3.58Å; Y968-S991 VanDerWaalsContact CA-O 3.32Å; Y968-S991 WeakPolarHBondContact CA-O 3.5Å; S969-S991 PolarHBondContact N-O 3.32Å; S969-S991 PolarHBondContact O-N 3.01Å; S969-S991 PolarHBondContact O-OG 3.15Å
992G94.6Very high87.1Confident0 Ų035 Ų350%018%0.178CC..EExtended strand (participates in β ladder)trans171.1172.7173.800000113.2I921I921-G992 PolarHBondContact N-O 3.36Å; I921-G992 PolarHBondContact O-N 3.33Å
993D94.3Very high84.7Confident0 Ų040.5 Ų40.50%020%0.202CC..EExtended strand (participates in β ladder)trans-101.6122.5-178.2-63.1-39.7000110.8L147 C148 T149 Y917 V965 V966L147-D993 WeakPolarHBondContact CA-OD1 3.27Å; C148-D993 PolarHBondContact N-OD1 2.88Å; C148-D993 PolarHBondContact N-OD2 2.69Å; T149-D993 WeakPolarHBondContact CB-OD2 3.32Å; T149-D993 PolarHBondContact N-OD2 3.1Å; T149-D993 PolarHBondContact OG1-OD2 3.25Å; Y917-D993 HydrophobicContact CD1-CB 4.23Å; Y917-D993 HydrophobicContact CE1-CB 4.37Å; V965-D993 WeakPolarHBondContact CA-O 3.06Å; V966-D993 HydrophobicContact CG2-CB 3.8Å; V966-D993 PolarHBondContact N-O 2.81Å; V966-D993 PolarHBondContact O-N 3.02Å
994A93.9Very high82Confident0 Ų046.1 Ų46.10%023%0.229CC..EExtended strand (participates in β ladder)trans-77.7125.9174.100000110.4L918 G919 I921 V957 L960L918-A994 HydrophobicContact CB-CB 4.15Å; L918-A994 PolarHBondContact N-O 3.41Å; G919-A994 PolarHBondContact O-N 2.9Å; I921-A994 HydrophobicContact CD1-CB 4.23Å; I921-A994 HydrophobicContact CG1-CB 3.95Å; V957-A994 HydrophobicContact CG1-CB 4.14Å; V957-A994 HydrophobicContact CG2-CB 4Å; L960-A994 HydrophobicContact CD1-CB 4.29Å
995V92.7Very high79.2Confident0 Ų051.2 Ų51.20%026%0.262CS..EExtended strand (participates in β ladder)trans-135.4157.2-175.5-580000113.5I914 K916 Y917 N963 A964 V966I914-V995 HydrophobicContact CG2-CB 3.96Å; I914-V995 HydrophobicContact CG2-CG1 4.05Å; K916-V995 WeakPolarHBondContact O-CA 3.36Å; Y917-V995 HydrophobicContact CD1-CG1 3.52Å; Y917-V995 HydrophobicContact CE1-CG1 3.72Å; Y917-V995 HydrophobicContact CG-CG1 4.02Å; N963-V995 PolarHBondContact N-O 3.33Å; N963-V995 VanDerWaalsContact N-O 3.1Å; N963-V995 PolarHBondContact OD1-O 3.08Å; A964-V995 HydrophobicContact CB-CG2 3.81Å; A964-V995 PolarHBondContact N-O 3.45Å; A964-V995 PolarHBondContact O-N 2.99Å; V966-V995 HydrophobicContact CG1-CG2 3.92Å; V966-V995 HydrophobicContact CG2-CG1 3.79Å; V966-V995 HydrophobicContact CG2-CG2 4.36Å
996I91.8Very high76.2Confident50 Ų5059 Ų5926%0.25630%0.3SS..EExtended strand (participates in β ladder)trans-104.4115.2164.7-57.5178.1000107.9I915 K916 L918 N963I915-I996 PolarHBondContact N-O 2.95Å; K916-I996 HydrophobicContact CB-CB 4.38Å; K916-I996 HydrophobicContact CD-CD1 4.43Å; K916-I996 PolarHBondContact N-O 3.26Å; K916-I996 PolarHBondContact O-N 3.09Å; L918-I996 HydrophobicContact CD1-CD1 4.24Å; L918-I996 HydrophobicContact CD1-CG1 3.86Å; L918-I996 HydrophobicContact CD2-CD1 3.94Å; L918-I996 HydrophobicContact CD2-CG1 4.22Å; L918-I996 HydrophobicContact CG-CD1 4.42Å; L918-I996 HydrophobicContact CG-CG1 4.15Å; N963-I996 WeakPolarHBondContact OD1-CA 3.37Å
997C90Very high73.1Confident10 Ų1064.7 Ų64.77%0.06834%0.335CS..EExtended strand (participates in β ladder)trans-112.5147175.569.60000111.5R913 N963R913-C997 WeakPolarHBondContact O-CA 3.49Å; N963-C997 PolarHBondContact ND2-O 3.29Å; N963-C997 PolarHBondContact OD1-N 3.03Å; N963-C997 PolarHBondContact OD1-SG 2.66Å
998V89.4Confident70Confident57 Ų5769.1 Ų69.135%0.34537%0.367SS..EExtended strand (participates in β ladder)trans-127.5147.3172.6173.80000108.8T912 R913 I915 D1002T912-V998 CarbonylContact C-O 3.48Å; T912-V998 WeakPolarHBondContact CA-O 3.34Å; R913-V998 PolarHBondContact N-O 2.96Å; R913-V998 PolarHBondContact O-N 2.99Å; I915-V998 HydrophobicContact CD1-CB 3.76Å; I915-V998 HydrophobicContact CD1-CG2 3.25Å; I915-V998 HydrophobicContact CG1-CB 4.4Å; I915-V998 HydrophobicContact CG1-CG2 4.19Å; V998-D1002 HydrophobicContact CG1-CB 4.33Å
999R83.1Confident66.8Low136 Ų13677.4 Ų77.451%0.51341%0.407SS..EExtended strand (participates in β ladder)trans-68.8140.2177.8-65.1-179180-174.40.5109.8T912 T1001 D1002T912-R999 HydrophobicContact CG2-CG 4.4Å; R999-T1001 PolarHBondContact O-N 3.39Å; R999-D1002 PolarHBondContact O-N 2.86Å
1000E71Confident63.7Low121 Ų12183 Ų8357%0.56544%0.442SS*.G310 helixtrans-63.6-22.1-179.1-71.2177.2161.100113.1G911 R913G911-E1000 PolarHBondContact O-N 3.39Å; R913-E1000 HydrophobicContact CB-CG 4.34Å
1001T62.7Low60.4Low117 Ų11790.6 Ų90.672%0.71848%0.482SS*.G310 helixtrans-79.4-15.8178.655.40000114.9R999 Q1003R999-T1001 PolarHBondContact O-N 3.39Å; T1001-Q1003 PolarHBondContact O-N 3.28Å
1002D50.3Low57.4Low104 Ų10497.3 Ų97.356%0.55652%0.517SS*.G310 helixtrans-88.922.8-173.3-63.3-19.5000112.6V998 R999 E1004V998-D1002 HydrophobicContact CG1-CB 4.33Å; R999-D1002 PolarHBondContact O-N 2.86Å; D1002-E1004 PolarHBondContact O-N 3.44Å; D1002-E1004 VanDerWaalsContact O-N 3.1Å
1003Q36.6Very low54.1Low151 Ų151100.9 Ų100.971%0.70655%0.553SS**  trans-70.6103.8167.1-122.7173.912.100108.2T1001T1001-Q1003 PolarHBondContact O-N 3.28Å
1004E31Very low50.9Low176 Ų176110 Ų11082%0.82260%0.596SS**  trans-51.9126.1162.4-79.9-173.6156.200107.8D1002 M1006D1002-E1004 PolarHBondContact O-N 3.44Å; D1002-E1004 VanDerWaalsContact O-N 3.1Å; E1004-M1006 PolarHBondContact O-N 3.11Å
1005P31.1Very low47.7Very low110 Ų110115.1 Ų115.171%0.71463%0.631SS**  trans-61.4117.6171.924.9-30.2000106.7T1007P1005-T1007 VanDerWaalsContact C-N 3.34Å; P1005-T1007 PolarHBondContact O-N 3.41Å
1006M26.9Very low44.5Very low190 Ų190120.9 Ų120.994%0.93667%0.67SS**  trans-52.1107.3164.5-86-176.4173.800106.6E1004 S1008E1004-M1006 PolarHBondContact O-N 3.11Å; M1006-S1008 PolarHBondContact O-N 3.25Å
1007T27.6Very low41.3Very low120 Ų120125.1 Ų125.174%0.73670%0.698SS**  trans-64.4102.8172.332.20000106.4P1005 M1009P1005-T1007 VanDerWaalsContact C-N 3.34Å; P1005-T1007 PolarHBondContact O-N 3.41Å; T1007-M1009 PolarHBondContact O-N 3.08Å
1008S27.6Very low38.5Very low103 Ų103128.7 Ų128.772%0.7273%0.729SS**  trans-63.289.9164.654.30000107.5M1006 T1010M1006-S1008 PolarHBondContact O-N 3.25Å; S1008-T1010 PolarHBondContact O-N 3.2Å; S1008-T1010 PolarHBondContact O-OG1 3.24Å
1009M26.9Very low35.6Very low173 Ų173134.1 Ų134.185%0.85276%0.756SS**  trans-63.894164.8-76.9-125.3166.500107.4T1007 N1011T1007-M1009 PolarHBondContact O-N 3.08Å; M1009-N1011 PolarHBondContact O-N 2.99Å; M1009-N1011 VanDerWaalsContact O-N 3.08Å
1010T27.6Very low33Very low117 Ų117131 Ų13172%0.71877%0.766SS**  trans-70.797.9168.6-11.40000106.2S1008 I1012S1008-T1010 PolarHBondContact O-N 3.2Å; S1008-T1010 PolarHBondContact O-OG1 3.24Å; T1010-I1012 VanDerWaalsContact C-N 3.32Å; T1010-I1012 PolarHBondContact O-N 3.04Å
1011N26.1Very low31.1Very low161 Ų161129.8 Ų129.886%0.86178%0.777SS**  trans-6496.5163.4-98.8-18.2000107.9M1009 G1013M1009-N1011 PolarHBondContact O-N 2.99Å; M1009-N1011 VanDerWaalsContact O-N 3.08Å; N1011-G1013 PolarHBondContact O-N 3.4Å
1012I29.8Very low29.8Very low148 Ų148134.6 Ų134.676%0.75981%0.806SS**  trans-79.1103.7160.7-64176000106.1T1010 Q1014T1010-I1012 VanDerWaalsContact C-N 3.32Å; T1010-I1012 PolarHBondContact O-N 3.04Å; I1012-Q1014 PolarHBondContact O-N 3.13Å
1013G26.5Very low28.7Very low74 Ų74136.2 Ų136.276%0.76382%0.819SS**  trans-65.8122167.300000110.2N1011N1011-G1013 PolarHBondContact O-N 3.4Å
1014Q27.1Very low28.3Very low193 Ų193135.4 Ų135.490%0.90283%0.825SS**  trans-109.2125.4156.3-87.2-175.8-19.400108.8I1012I1012-Q1014 PolarHBondContact O-N 3.13Å
1015S25.6Very low28.2Very low106 Ų106133.1 Ų133.174%0.74183%0.825SS**  trans-84.3140.8-179.154.10000112.7
1016C25Very low28Very low121 Ų121134.5 Ų134.582%0.81883%0.832SS**  trans66.7134154.2-52.90000116
1017T25.9Very low28.1Very low139 Ų139131 Ų13185%0.85383%0.825SS**  cis-157.4160.149.141.40000112.1
1018A31.9Very low28.1Very low85 Ų85131.7 Ų131.770%0.70283%0.831SS**  trans-68.9164.8172.700000114.3
1019D28.3Very low28.1Very low171 Ų171133.8 Ų133.891%0.91484%0.839SS**  trans119.6129168.8-68.8-14.8000110.1
1020G28.1Very low28.2Very low71 Ų71130.8 Ų130.873%0.73284%0.838SS**  cis167.3144.94.800000106.2
1021A30.9Very low28.3Very low95 Ų95131.9 Ų131.979%0.78585%0.848SS**  trans41.5109.6159.100000120.1
1022T34.5Very low28.5Very low219 Ų219129.3 Ų129.3100%1.34485%0.847SS**  179.9093.820.70000110.4

Retrieved 1,022 of 1,022 residues in 1227.7 ms (Link to these results)

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