A0A077ZP97_TRITR Loading...

FDX-ACB and DUF2431 domain containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A077ZP97, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 594 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
1M32.4Very low61.4Low241 Ų24199.9 Ų99.9100%1.18752%0.519SS*.  0123.30-67172176.500108.9
2F25.6Very low64.2Low203 Ų20392.3 Ų92.389%0.8948%0.48SS*.  trans-111.2129.2168.7-69.7-74.2000108.5T4F2-T4 PolarHBondContact O-N 2.91Å; F2-T4 VanDerWaalsContact O-N 3.16Å
3S33.2Very low66.6Low87 Ų8785.2 Ų85.261%0.60844%0.443SS*.  trans-70109.2173.757.40000109.3R422S3-R422 PolarHBondContact OG-NH1 3.05Å
4T39.4Very low68.8Low111 Ų11179.3 Ų79.368%0.68141%0.412SS*.  trans-66.7156.81804.10000112.4F2F2-T4 PolarHBondContact O-N 2.91Å; F2-T4 VanDerWaalsContact O-N 3.16Å
5F50.7Low70.5Confident172 Ų17274.3 Ų74.375%0.75439%0.386SS*.  trans28.3101.6164.8-54.2-67.7000118T7F5-T7 HydrophobicContact CB-CG2 4.44Å; F5-T7 PolarHBondContact O-N 2.86Å; F5-T7 VanDerWaalsContact O-N 3.09Å
6Q57.2Low72Confident95 Ų9571.4 Ų71.444%0.44438%0.38SS..  trans-65.7106.4148.3177.5170-8.700107.7D8Q6-D8 VanDerWaalsContact CG-O 3.23Å; Q6-D8 WeakPolarHBondContact CG-O 3.47Å; Q6-D8 PolarHBondContact NE2-O 2.83Å
7T75.4Confident73.3Confident82 Ų8267.9 Ų67.950%0.50336%0.361SS..  trans-75.7-39.3-178.845.60000111.7F5 Q35 S36F5-T7 HydrophobicContact CB-CG2 4.44Å; F5-T7 PolarHBondContact O-N 2.86Å; F5-T7 VanDerWaalsContact O-N 3.09Å; T7-Q35 CarbonylContact O-C 3.57Å; T7-Q35 VanDerWaalsContact O-CA 3.25Å; T7-Q35 WeakPolarHBondContact O-CA 3.31Å; T7-S36 PolarHBondContact O-N 3.22Å
8D86.7Confident74.4Confident78 Ų7865.4 Ų65.442%0.41736%0.355SS..EExtended strand (participates in β ladder)trans-92.1122.7178.4-17135000113.3Q6 G10 S36Q6-D8 VanDerWaalsContact CG-O 3.23Å; Q6-D8 WeakPolarHBondContact CG-O 3.47Å; Q6-D8 PolarHBondContact NE2-O 2.83Å; D8-G10 PolarHBondContact OD1-N 3.01Å; D8-S36 VanDerWaalsContact CA-OG 3.26Å; D8-S36 WeakPolarHBondContact CA-OG 3.16Å; D8-S36 WeakPolarHBondContact CB-OG 3.48Å; D8-S36 PolarHBondContact OD1-OG 3.3Å
9L87.4Confident75.4Confident8 Ų862.2 Ų62.24%0.04234%0.337CS..EExtended strand (participates in β ladder)trans-91.9-3174.2-58.4-177.8000112.3L30 S36 A37 F94 F423 A426L9-L30 HydrophobicContact CD1-CD2 3.65Å; L9-S36 PolarHBondContact N-O 2.74Å; L9-A37 HydrophobicContact CB-CB 4.15Å; L9-F94 HydrophobicContact CB-CE2 3.99Å; L9-F94 WeakPolarHBondContact O-CE2 3.42Å; L9-F423 HydrophobicContact CD2-CE2 4.38Å; L9-A426 HydrophobicContact CD2-CB 4.49Å
10G92.3Very high76.5Confident15 Ų1559.1 Ų59.116%0.15532%0.32CS..EExtended strand (participates in β ladder)trans71.5-126.5-177.900000111.2D8 A37 K38D8-G10 PolarHBondContact OD1-N 3.01Å; G10-A37 CarbonylContact O-C 3.54Å; G10-A37 VanDerWaalsContact O-CA 3.31Å; G10-A37 WeakPolarHBondContact O-CA 3.49Å; G10-K38 PolarHBondContact O-N 2.77Å
11R94.6Very high77.4Confident7 Ų756.5 Ų56.53%0.02631%0.306CS..EExtended strand (participates in β ladder)trans-109.7132.1-171.1-74.4-173.770.9-12615.9114.7K38 E90 L91 F92 N93 F94R11-K38 WeakPolarHBondContact CA-O 3.48Å; R11-K38 HydrophobicContact CG-CB 3.89Å; R11-K38 HydrophobicContact CG-CD 3.99Å; R11-K38 HydrophobicContact CG-CG 4.02Å; R11-E90 VanDerWaalsContact CD-OE1 3.22Å; R11-E90 WeakPolarHBondContact CD-OE1 3.33Å; R11-E90 WeakPolarHBondContact CD-OE2 3.44Å; R11-E90 IonicContact CZ-OE2 3.21Å; R11-E90 IonicContact NE-OE2 2.7Å; R11-E90 PolarHBondContact NH1-O 2.88Å; R11-L91 VanDerWaalsContact NH1-C 3.28Å; R11-L91 PolarHBondContact NH1-O 3.09Å; R11-F92 HydrophobicContact CB-CD1 3.75Å; R11-F92 HydrophobicContact CB-CE1 4.39Å; R11-F92 HydrophobicContact CB-CG 4.42Å; R11-F92 VanDerWaalsContact CZ-CE1 3.47Å; R11-N93 PolarHBondContact N-OD1 3.06Å; R11-N93 PolarHBondContact O-N 3.24Å; R11-F94 PolarHBondContact O-N 2.91Å
12I95.7Very high80.5Confident9 Ų945.3 Ų45.35%0.04625%0.251CS..EExtended strand (participates in β ladder)trans-120.2120.4179.1-54.1174.1000109.7V14 L26 L30 A37 K38 V39 V40 F94 V96I12-V14 HydrophobicContact CG2-CG2 4.34Å; I12-L26 HydrophobicContact CD1-CD1 4.29Å; I12-L26 HydrophobicContact CG2-CD2 4.1Å; I12-L30 HydrophobicContact CD1-CD1 4.37Å; I12-A37 HydrophobicContact CD1-CB 3.52Å; I12-A37 HydrophobicContact CG1-CB 3.97Å; I12-K38 PolarHBondContact N-O 3.19Å; I12-K38 VanDerWaalsContact N-O 3.16Å; I12-V39 HydrophobicContact CB-CG2 4.37Å; I12-V39 HydrophobicContact CD1-CG2 4.38Å; I12-V39 CarbonylContact O-C 3.57Å; I12-V39 WeakPolarHBondContact O-CA 3.43Å; I12-V40 PolarHBondContact O-N 2.83Å; I12-F94 WeakPolarHBondContact CA-O 3.35Å; I12-F94 HydrophobicContact CB-CB 4.28Å; I12-F94 HydrophobicContact CD1-CD2 4.5Å; I12-F94 HydrophobicContact CG1-CB 4.03Å; I12-F94 HydrophobicContact CG1-CD2 3.75Å; I12-F94 HydrophobicContact CG1-CG 4.22Å; I12-F94 HydrophobicContact CG2-CB 4.1Å; I12-V96 HydrophobicContact CG2-CG2 4.29Å
13L95.8Very high83.9Confident0 Ų035.6 Ų35.60%021%0.209CC..EExtended strand (participates in β ladder)trans-96.9124.8167.8-176.861000109.9I15 V40 T42 L86 F92 F94 V95 V96 L125L13-I15 HydrophobicContact CD2-CD1 3.92Å; L13-I15 HydrophobicContact CD2-CG1 3.95Å; L13-I15 HydrophobicContact CG-CD1 4.44Å; L13-I15 HydrophobicContact CG-CG1 3.91Å; L13-V40 HydrophobicContact CD1-CB 4.08Å; L13-V40 HydrophobicContact CD1-CG1 4Å; L13-T42 HydrophobicContact CD1-CG2 3.64Å; L13-L86 HydrophobicContact CD1-CD1 4.26Å; L13-L86 HydrophobicContact CD2-CD1 3.96Å; L13-F92 HydrophobicContact CB-CD1 3.61Å; L13-F92 HydrophobicContact CB-CD2 4.31Å; L13-F92 HydrophobicContact CB-CE1 3.61Å; L13-F92 HydrophobicContact CB-CE2 4.31Å; L13-F92 HydrophobicContact CB-CG 3.96Å; L13-F92 HydrophobicContact CB-CZ 3.96Å; L13-F92 HydrophobicContact CD1-CE1 4.22Å; L13-F92 HydrophobicContact CD1-CZ 3.95Å; L13-F92 HydrophobicContact CD2-CD2 4.43Å; L13-F92 HydrophobicContact CD2-CE2 4.18Å; L13-F92 HydrophobicContact CD2-CZ 4.36Å; L13-F92 HydrophobicContact CG-CE1 4.41Å; L13-F92 HydrophobicContact CG-CZ 4.32Å; L13-F94 PolarHBondContact N-O 2.67Å; L13-V95 HydrophobicContact CB-CG1 4.35Å; L13-V95 HydrophobicContact CB-CG2 4.18Å; L13-V95 HydrophobicContact CD2-CG1 4.12Å; L13-V95 HydrophobicContact CD2-CG2 4.32Å; L13-V95 HydrophobicContact CG-CG1 4.42Å; L13-V95 WeakPolarHBondContact O-CA 3.44Å; L13-V96 PolarHBondContact O-N 3.28Å; L13-L125 HydrophobicContact CD2-CD1 3.76Å
14V96.9Very high87Confident2 Ų231.9 Ų31.91%0.01218%0.182CC..EExtended strand (participates in β ladder)trans-102.3114.2169.7-171.50000108.9I12 D17 F22 L26 V39 V40 T42I12-V14 HydrophobicContact CG2-CG2 4.34Å; V14-D17 HydrophobicContact CG1-CB 3.87Å; V14-F22 HydrophobicContact CG1-CD1 3.73Å; V14-F22 HydrophobicContact CG1-CE1 4.11Å; V14-F22 HydrophobicContact CG2-CD1 4.34Å; V14-F22 HydrophobicContact CG2-CE1 4.22Å; V14-L26 HydrophobicContact CG2-CD2 3.83Å; V14-V39 HydrophobicContact CG2-CG1 4.26Å; V14-V40 PolarHBondContact N-O 2.93Å; V14-T42 WeakPolarHBondContact O-CB 3.28Å; V14-T42 PolarHBondContact O-N 3.07Å; V14-T42 PolarHBondContact O-OG1 3Å
15I94.8Very high89.7Confident5 Ų526.6 Ų26.63%0.02615%0.149CC..EExtended strand (participates in β ladder)trans-91.2123.2178.8-59.3-160.1000110.7L13 T42 V77 V95 V96 F97 F118L13-I15 HydrophobicContact CD2-CD1 3.92Å; L13-I15 HydrophobicContact CD2-CG1 3.95Å; L13-I15 HydrophobicContact CG-CD1 4.44Å; L13-I15 HydrophobicContact CG-CG1 3.91Å; I15-T42 WeakPolarHBondContact CA-OG1 3.39Å; I15-V77 HydrophobicContact CD1-CG2 4.33Å; I15-V77 HydrophobicContact CG2-CB 4.22Å; I15-V77 HydrophobicContact CG2-CG2 4.03Å; I15-V95 HydrophobicContact CD1-CG1 3.71Å; I15-V95 HydrophobicContact CG1-CG1 3.92Å; I15-V96 PolarHBondContact N-O 2.81Å; I15-F97 HydrophobicContact CB-CB 4.28Å; I15-F97 HydrophobicContact CB-CD2 4.15Å; I15-F97 HydrophobicContact CB-CG 4.18Å; I15-F97 HydrophobicContact CG2-CD1 4.28Å; I15-F97 HydrophobicContact CG2-CD2 3.92Å; I15-F97 HydrophobicContact CG2-CE1 4.31Å; I15-F97 HydrophobicContact CG2-CE2 3.94Å; I15-F97 HydrophobicContact CG2-CG 4.07Å; I15-F97 HydrophobicContact CG2-CZ 4.13Å; I15-F97 WeakPolarHBondContact O-CD2 3.34Å; I15-F118 HydrophobicContact CD1-CD2 4.16Å; I15-F118 HydrophobicContact CD1-CE2 3.96Å
16G93.3Very high91.9Very high28 Ų2818.8 Ų18.829%0.28912%0.115SC..  trans71.736.9168.600000115.4G18 T42G16-G18 VanDerWaalsContact C-N 3.31Å; G16-G18 PolarHBondContact O-N 2.61Å; G16-T42 CarbonylContact C-O 3.6Å; G16-T42 WeakPolarHBondContact CA-O 3.33Å; G16-T42 PolarHBondContact N-O 2.87Å; G16-T42 VanDerWaalsContact N-O 3.1Å; G16-T42 PolarHBondContact N-OG1 2.9Å
17D94.8Very high93.7Very high11 Ų1115.3 Ų15.36%0.05910%0.1CC..  trans-72.983.1178.3-170.6-2.1000111.3V14 N19 L20 F22 S23 T42V14-D17 HydrophobicContact CG1-CB 3.87Å; D17-N19 VanDerWaalsContact C-N 3.29Å; D17-N19 PolarHBondContact O-N 2.7Å; D17-N19 VanDerWaalsContact O-N 3.11Å; D17-L20 HydrophobicContact CB-CD2 4.41Å; D17-L20 VanDerWaalsContact CG-CA 3.43Å; D17-L20 PolarHBondContact O-N 3.21Å; D17-L20 WeakPolarHBondContact OD1-CA 3.21Å; D17-L20 PolarHBondContact OD1-N 2.76Å; D17-L20 WeakPolarHBondContact OD2-CA 3.29Å; D17-F22 PolarHBondContact OD2-N 3.18Å; D17-S23 VanDerWaalsContact OD2-CB 3.23Å; D17-S23 WeakPolarHBondContact OD2-CB 3.48Å; D17-S23 PolarHBondContact OD2-N 3.28Å; D17-S23 PolarHBondContact OD2-OG 3.11Å; D17-T42 PolarHBondContact N-O 2.62Å
18G92.5Very high94.6Very high24 Ų2415.7 Ų15.725%0.2479%0.092CC..THydrogen-bonded Turntrans-52.2-39.5-164.600000115.2G16 W50 F54G16-G18 VanDerWaalsContact C-N 3.31Å; G16-G18 PolarHBondContact O-N 2.61Å; G18-W50 PolarHBondContact O-NE1 2.95Å; G18-F54 VanDerWaalsContact O-CD2 3.3Å; G18-F54 WeakPolarHBondContact O-CD2 3.28Å; G18-F54 WeakPolarHBondContact O-CE2 3.44Å; G18-F54 WeakPolarHBondContact O-CZ 3.33Å
19N94Very high94.9Very high4 Ų414.4 Ų14.42%0.0218%0.083CC..THydrogen-bonded Turntrans-115.110.6177.570.6-9.1000113.9D17 T21 F54 F57 E195 T197D17-N19 VanDerWaalsContact C-N 3.29Å; D17-N19 PolarHBondContact O-N 2.7Å; D17-N19 VanDerWaalsContact O-N 3.11Å; N19-T21 HydrophobicContact CB-CG2 4.48Å; N19-T21 PolarHBondContact ND2-OG1 3.28Å; N19-T21 PolarHBondContact O-N 3.06Å; N19-T21 PolarHBondContact OD1-N 3.41Å; N19-T21 PolarHBondContact OD1-OG1 2.64Å; N19-F54 HydrophobicContact CB-CD1 3.72Å; N19-F54 HydrophobicContact CB-CE1 3.89Å; N19-F54 HydrophobicContact CB-CG 4.48Å; N19-F57 HydrophobicContact CB-CB 4.34Å; N19-F57 HydrophobicContact CB-CD1 4.06Å; N19-F57 HydrophobicContact CB-CD2 3.84Å; N19-F57 HydrophobicContact CB-CE1 4.35Å; N19-F57 HydrophobicContact CB-CE2 4.14Å; N19-F57 HydrophobicContact CB-CG 3.8Å; N19-F57 HydrophobicContact CB-CZ 4.39Å; N19-F57 VanDerWaalsContact ND2-CE1 3.33Å; N19-F57 WeakPolarHBondContact ND2-CE1 3.32Å; N19-F57 WeakPolarHBondContact ND2-CZ 3.47Å; N19-E195 PolarHBondContact ND2-O 3.39Å; N19-T197 WeakPolarHBondContact ND2-CG2 3.47Å; N19-T197 PolarHBondContact ND2-OG1 2.97Å
20L96.9Very high95.1Very high0 Ų014.3 Ų14.30%08%0.082CC..SBendtrans62.11.5-179.4-62.5172.6000116.2D17 F22 S23 L24 A41 V43 W50 L61 L64 V71 F73D17-L20 HydrophobicContact CB-CD2 4.41Å; D17-L20 VanDerWaalsContact CG-CA 3.43Å; D17-L20 PolarHBondContact O-N 3.21Å; D17-L20 WeakPolarHBondContact OD1-CA 3.21Å; D17-L20 PolarHBondContact OD1-N 2.76Å; D17-L20 WeakPolarHBondContact OD2-CA 3.29Å; L20-F22 VanDerWaalsContact C-N 3.33Å; L20-F22 PolarHBondContact O-N 3.44Å; L20-S23 PolarHBondContact O-N 2.83Å; L20-L24 PolarHBondContact O-N 2.85Å; L20-L24 VanDerWaalsContact O-N 3.14Å; L20-A41 HydrophobicContact CD2-CB 4.07Å; L20-V43 HydrophobicContact CD1-CG2 4.49Å; L20-V43 HydrophobicContact CD2-CG2 3.65Å; L20-V43 HydrophobicContact CG-CG2 4.12Å; L20-W50 HydrophobicContact CB-CZ2 4.42Å; L20-W50 HydrophobicContact CD1-CH2 4.04Å; L20-W50 HydrophobicContact CD1-CZ2 3.68Å; L20-W50 HydrophobicContact CG-CZ2 4.02Å; L20-L61 HydrophobicContact CD1-CB 3.84Å; L20-L61 HydrophobicContact CD1-CD1 3.67Å; L20-L61 HydrophobicContact CD1-CG 4.29Å; L20-L64 HydrophobicContact CB-CD1 3.78Å; L20-L64 HydrophobicContact CD1-CD1 4.41Å; L20-L64 HydrophobicContact CD2-CD1 4.18Å; L20-L64 HydrophobicContact CG-CD1 4.35Å; L20-V71 HydrophobicContact CD1-CG1 3.85Å; L20-V71 HydrophobicContact CD2-CG1 3.75Å; L20-V71 HydrophobicContact CG-CG1 4.49Å; L20-F73 HydrophobicContact CD1-CZ 4.47Å
21T96.4Very high95.1Very high4 Ų417.4 Ų17.43%0.02511%0.106CC..Hα-helixtrans-74.5-22.9-177.466.30000112.9N19 A25 F57 A60 Y194 E195N19-T21 HydrophobicContact CB-CG2 4.48Å; N19-T21 PolarHBondContact ND2-OG1 3.28Å; N19-T21 PolarHBondContact O-N 3.06Å; N19-T21 PolarHBondContact OD1-N 3.41Å; N19-T21 PolarHBondContact OD1-OG1 2.64Å; T21-A25 VanDerWaalsContact O-CB 3.22Å; T21-A25 WeakPolarHBondContact O-CB 3.41Å; T21-A25 PolarHBondContact O-N 3.1Å; T21-F57 HydrophobicContact CG2-CD1 3.58Å; T21-F57 HydrophobicContact CG2-CE1 3.86Å; T21-A60 HydrophobicContact CG2-CB 4.44Å; T21-Y194 WeakPolarHBondContact OG1-CD2 3.39Å; T21-E195 HydrophobicContact CG2-CB 4.39Å; T21-E195 PolarHBondContact OG1-N 2.84Å; T21-E195 PolarHBondContact OG1-O 2.91Å; T21-E195 VanDerWaalsContact OG1-O 3.04Å
22F96.8Very high95Very high6 Ų623.3 Ų23.33%0.02614%0.137CC..Hα-helixtrans-70.6-43.7175176-92.7000110.7V14 D17 L20 A25 L26 V96 N98 F184 L189 Y194V14-F22 HydrophobicContact CG1-CD1 3.73Å; V14-F22 HydrophobicContact CG1-CE1 4.11Å; V14-F22 HydrophobicContact CG2-CD1 4.34Å; V14-F22 HydrophobicContact CG2-CE1 4.22Å; D17-F22 PolarHBondContact OD2-N 3.18Å; L20-F22 VanDerWaalsContact C-N 3.33Å; L20-F22 PolarHBondContact O-N 3.44Å; F22-A25 PolarHBondContact O-N 3.12Å; F22-L26 HydrophobicContact CE1-CD2 4.21Å; F22-L26 VanDerWaalsContact O-CB 3.23Å; F22-L26 WeakPolarHBondContact O-CB 3.48Å; F22-L26 PolarHBondContact O-N 3.14Å; F22-V96 HydrophobicContact CE1-CG1 4.17Å; F22-V96 HydrophobicContact CZ-CG1 4.24Å; F22-N98 WeakPolarHBondContact CD1-ND2 3.47Å; F22-N98 WeakPolarHBondContact CD2-ND2 3.49Å; F22-N98 VanDerWaalsContact CE1-ND2 3.31Å; F22-N98 WeakPolarHBondContact CE1-ND2 3.44Å; F22-N98 WeakPolarHBondContact CE2-ND2 3.22Å; F22-N98 WeakPolarHBondContact CZ-ND2 3.44Å; F22-F184 HydrophobicContact CD2-CZ 4.3Å; F22-F184 HydrophobicContact CE2-CE2 4.13Å; F22-F184 HydrophobicContact CE2-CZ 4.24Å; F22-L189 HydrophobicContact CD2-CD1 4.21Å; F22-L189 HydrophobicContact CE2-CD1 3.82Å; F22-L189 HydrophobicContact CE2-CD2 4.36Å; F22-Y194 HydrophobicContact CB-CD2 3.78Å; F22-Y194 HydrophobicContact CB-CE2 3.81Å; F22-Y194 HydrophobicContact CD2-CD2 4.38Å; F22-Y194 HydrophobicContact CD2-CE2 4.41Å
23S97.4Very high94.6Very high0 Ų025.2 Ų25.20%015%0.15CC..Hα-helixtrans-65.7-39.7177.8-57.20000111.2D17 L20 L26 I27 A41D17-S23 VanDerWaalsContact OD2-CB 3.23Å; D17-S23 WeakPolarHBondContact OD2-CB 3.48Å; D17-S23 PolarHBondContact OD2-N 3.28Å; D17-S23 PolarHBondContact OD2-OG 3.11Å; L20-S23 PolarHBondContact O-N 2.83Å; S23-L26 WeakPolarHBondContact O-CB 3.25Å; S23-L26 PolarHBondContact O-N 3.42Å; S23-I27 PolarHBondContact O-N 3.47Å; S23-A41 WeakPolarHBondContact OG-CB 3.46Å
24L97.3Very high94.3Very high8 Ų827.9 Ų27.94%0.04218%0.177CC..Hα-helixtrans-63.9-44.9173.5-177.359.9000112.1L20 L26 I27 R28 A60 Q63 L64L20-L24 PolarHBondContact O-N 2.85Å; L20-L24 VanDerWaalsContact O-N 3.14Å; L24-L26 VanDerWaalsContact C-N 3.31Å; L24-L26 PolarHBondContact O-N 2.93Å; L24-I27 HydrophobicContact CD1-CD1 4.24Å; L24-I27 HydrophobicContact CD1-CG1 4.4Å; L24-I27 WeakPolarHBondContact O-CG1 3.45Å; L24-R28 WeakPolarHBondContact O-CB 3.44Å; L24-R28 WeakPolarHBondContact O-CD 3.08Å; L24-R28 VanDerWaalsContact O-CG 3.28Å; L24-R28 WeakPolarHBondContact O-CG 3.31Å; L24-R28 PolarHBondContact O-N 2.99Å; L24-R28 VanDerWaalsContact O-N 3.15Å; L24-A60 HydrophobicContact CD2-CB 3.84Å; L24-Q63 HydrophobicContact CD1-CB 3.87Å; L24-L64 HydrophobicContact CB-CD2 4.41Å; L24-L64 HydrophobicContact CB-CG 4.5Å
25A97.1Very high93.9Very high0 Ų029 Ų290%018%0.182CC..Hα-helixtrans-64.4-35.4174.800000112.5T21 F22 K29 L189 C192T21-A25 VanDerWaalsContact O-CB 3.22Å; T21-A25 WeakPolarHBondContact O-CB 3.41Å; T21-A25 PolarHBondContact O-N 3.1Å; F22-A25 PolarHBondContact O-N 3.12Å; A25-K29 WeakPolarHBondContact O-CB 3.26Å; A25-K29 PolarHBondContact O-N 3.17Å; A25-L189 HydrophobicContact CB-CD2 4.41Å; A25-C192 HydrophobicContact CB-CB 3.88Å
26L95.7Very high93.7Very high8 Ų831.5 Ų31.54%0.04220%0.2CC..Hα-helixtrans-63.2-52.2175.5166.860.8000111.5I12 V14 F22 S23 L24 R28 K29 L30 V39 F430I12-L26 HydrophobicContact CD1-CD1 4.29Å; I12-L26 HydrophobicContact CG2-CD2 4.1Å; V14-L26 HydrophobicContact CG2-CD2 3.83Å; F22-L26 HydrophobicContact CE1-CD2 4.21Å; F22-L26 VanDerWaalsContact O-CB 3.23Å; F22-L26 WeakPolarHBondContact O-CB 3.48Å; F22-L26 PolarHBondContact O-N 3.14Å; S23-L26 WeakPolarHBondContact O-CB 3.25Å; S23-L26 PolarHBondContact O-N 3.42Å; L24-L26 VanDerWaalsContact C-N 3.31Å; L24-L26 PolarHBondContact O-N 2.93Å; L26-R28 PolarHBondContact O-N 3.39Å; L26-K29 PolarHBondContact O-N 3.49Å; L26-K29 VanDerWaalsContact O-N 3.17Å; L26-L30 HydrophobicContact CD1-CD1 3.91Å; L26-L30 HydrophobicContact CD1-CG 4.13Å; L26-L30 HydrophobicContact CG-CD1 4.2Å; L26-L30 WeakPolarHBondContact O-CG 3.44Å; L26-L30 PolarHBondContact O-N 3.35Å; L26-V39 HydrophobicContact CD2-CG1 4.03Å; L26-V39 HydrophobicContact CD2-CG2 4.23Å; L26-V39 HydrophobicContact CG-CG2 4.43Å; L26-F430 HydrophobicContact CD1-CE1 4Å; L26-F430 HydrophobicContact CD1-CE2 4.33Å; L26-F430 HydrophobicContact CD1-CZ 3.51Å
27I95.4Very high93.7Very high23 Ų2331.2 Ų31.212%0.11820%0.195CC..Hα-helixtrans-64.5-41.3-179.861.3158.7000112.1S23 L24 K29 L30 A31 V39 L64 E67 I69S23-I27 PolarHBondContact O-N 3.47Å; L24-I27 HydrophobicContact CD1-CD1 4.24Å; L24-I27 HydrophobicContact CD1-CG1 4.4Å; L24-I27 WeakPolarHBondContact O-CG1 3.45Å; I27-K29 VanDerWaalsContact C-N 3.3Å; I27-K29 PolarHBondContact O-N 3.41Å; I27-L30 WeakPolarHBondContact O-CB 3.32Å; I27-L30 PolarHBondContact O-N 2.83Å; I27-A31 PolarHBondContact O-N 3.08Å; I27-V39 HydrophobicContact CG2-CB 4.26Å; I27-V39 HydrophobicContact CG2-CG2 3.92Å; I27-L64 HydrophobicContact CD1-CD2 3.86Å; I27-L64 HydrophobicContact CG1-CD2 4.23Å; I27-E67 HydrophobicContact CD1-CB 3.98Å; I27-E67 HydrophobicContact CD1-CG 4.01Å; I27-I69 HydrophobicContact CD1-CG1 4.11Å; I27-I69 HydrophobicContact CG2-CD1 3.88Å; I27-I69 HydrophobicContact CG2-CG1 4.16Å
28R95.2Very high93.7Very high90 Ų9036 Ų3634%0.3422%0.215SC..Hα-helixtrans-61.1-40.3173.7-71.1167.5172.8-176.1-4.3111.4L24 L26 L32 C192L24-R28 WeakPolarHBondContact O-CB 3.44Å; L24-R28 WeakPolarHBondContact O-CD 3.08Å; L24-R28 VanDerWaalsContact O-CG 3.28Å; L24-R28 WeakPolarHBondContact O-CG 3.31Å; L24-R28 PolarHBondContact O-N 2.99Å; L24-R28 VanDerWaalsContact O-N 3.15Å; L26-R28 PolarHBondContact O-N 3.39Å; R28-L32 WeakPolarHBondContact O-CB 3.22Å; R28-L32 VanDerWaalsContact O-CG 3.23Å; R28-L32 WeakPolarHBondContact O-CG 3.33Å; R28-L32 PolarHBondContact O-N 3.37Å; R28-C192 HydrophobicContact CB-CB 4.44Å; R28-C192 WeakPolarHBondContact CD-O 3.26Å; R28-C192 PolarHBondContact NH1-O 3.42Å
29K92.8Very high93.8Very high50 Ų5035 Ų3522%0.21721%0.205CC..Hα-helixtrans-70.4-33.6179.1-179.657.9-167.3155.50112.7A25 L26 I27 T33 F430A25-K29 WeakPolarHBondContact O-CB 3.26Å; A25-K29 PolarHBondContact O-N 3.17Å; L26-K29 PolarHBondContact O-N 3.49Å; L26-K29 VanDerWaalsContact O-N 3.17Å; I27-K29 VanDerWaalsContact C-N 3.3Å; I27-K29 PolarHBondContact O-N 3.41Å; K29-T33 HydrophobicContact CD-CG2 4.41Å; K29-T33 PolarHBondContact O-N 3.12Å; K29-T33 PolarHBondContact O-OG1 3.15Å; K29-T33 VanDerWaalsContact O-OG1 3.14Å; K29-F430 HydrophobicContact CB-CE1 4.48Å; K29-F430 HydrophobicContact CB-CE2 4.09Å; K29-F430 HydrophobicContact CB-CZ 3.68Å; K29-F430 HydrophobicContact CG-CD2 4.29Å; K29-F430 HydrophobicContact CG-CE1 3.91Å; K29-F430 HydrophobicContact CG-CE2 3.58Å; K29-F430 HydrophobicContact CG-CZ 3.36Å
30L92.2Very high93.9Very high7 Ų735 Ų354%0.03720%0.204CC..Hα-helixtrans-64.5-48.7172.3-73.5166.7000111.4L9 I12 L26 I27 L32 T33 G34 Q35 A37 V39 F430L9-L30 HydrophobicContact CD1-CD2 3.65Å; I12-L30 HydrophobicContact CD1-CD1 4.37Å; L26-L30 HydrophobicContact CD1-CD1 3.91Å; L26-L30 HydrophobicContact CD1-CG 4.13Å; L26-L30 HydrophobicContact CG-CD1 4.2Å; L26-L30 WeakPolarHBondContact O-CG 3.44Å; L26-L30 PolarHBondContact O-N 3.35Å; I27-L30 WeakPolarHBondContact O-CB 3.32Å; I27-L30 PolarHBondContact O-N 2.83Å; L30-L32 VanDerWaalsContact C-N 3.33Å; L30-L32 PolarHBondContact O-N 2.91Å; L30-T33 CarbonylContact O-C 3.53Å; L30-T33 PolarHBondContact O-N 3.4Å; L30-T33 PolarHBondContact O-OG1 3.32Å; L30-T33 VanDerWaalsContact O-OG1 3.14Å; L30-G34 PolarHBondContact O-N 3.3Å; L30-G34 VanDerWaalsContact O-N 3.14Å; L30-Q35 CarbonylContact C-O 3.52Å; L30-Q35 WeakPolarHBondContact CB-O 3.3Å; L30-Q35 HydrophobicContact CD2-CB 3.89Å; L30-Q35 PolarHBondContact O-N 3.38Å; L30-A37 HydrophobicContact CD1-CB 3.77Å; L30-A37 HydrophobicContact CD2-CB 4.44Å; L30-V39 HydrophobicContact CD1-CG2 4.06Å; L30-F430 HydrophobicContact CD2-CD2 4.11Å; L30-F430 HydrophobicContact CD2-CE2 3.56Å; L30-F430 HydrophobicContact CD2-CZ 4.41Å; L30-F430 HydrophobicContact CG-CE2 3.74Å; L30-F430 HydrophobicContact CG-CZ 4.26Å
31A92.1Very high93.8Very high79 Ų7935 Ų3565%0.65320%0.204SC*.Hα-helixtrans-57.4-45.2174.200000111.7I27 T33 G34I27-A31 PolarHBondContact O-N 3.08Å; A31-T33 PolarHBondContact O-N 2.85Å; A31-G34 PolarHBondContact O-N 2.85Å; A31-G34 VanDerWaalsContact O-N 3.15Å
32L91Very high93.8Very high131 Ų13134.8 Ų34.869%0.68620%0.204SC*.THydrogen-bonded Turntrans-66.7-10.8175.6-72.5170.7000114.9R28 L30R28-L32 WeakPolarHBondContact O-CB 3.22Å; R28-L32 VanDerWaalsContact O-CG 3.23Å; R28-L32 WeakPolarHBondContact O-CG 3.33Å; R28-L32 PolarHBondContact O-N 3.37Å; L30-L32 VanDerWaalsContact C-N 3.33Å; L30-L32 PolarHBondContact O-N 2.91Å
33T88.2Confident93.7Very high49 Ų4934.5 Ų34.530%0.30120%0.202SC..THydrogen-bonded Turntrans-109.93.8172.753.20000113.6K29 L30 A31 Q35K29-T33 HydrophobicContact CD-CG2 4.41Å; K29-T33 PolarHBondContact O-N 3.12Å; K29-T33 PolarHBondContact O-OG1 3.15Å; K29-T33 VanDerWaalsContact O-OG1 3.14Å; L30-T33 CarbonylContact O-C 3.53Å; L30-T33 PolarHBondContact O-N 3.4Å; L30-T33 PolarHBondContact O-OG1 3.32Å; L30-T33 VanDerWaalsContact O-OG1 3.14Å; A31-T33 PolarHBondContact O-N 2.85Å; T33-Q35 PolarHBondContact O-N 3.11Å; T33-Q35 PolarHBondContact OG1-OE1 2.98Å
34G89.4Confident93.4Very high56 Ų5639.9 Ų39.958%0.57723%0.226SC*.THydrogen-bonded Turntrans64.528-175.100000113L30 A31L30-G34 PolarHBondContact O-N 3.3Å; L30-G34 VanDerWaalsContact O-N 3.14Å; A31-G34 PolarHBondContact O-N 2.85Å; A31-G34 VanDerWaalsContact O-N 3.15Å
35Q89.2Confident93.1Very high26 Ų2641.3 Ų41.312%0.12123%0.232CC..  trans-107.8141.6-179.1-67179-68.700110.8T7 L30 T33T7-Q35 CarbonylContact O-C 3.57Å; T7-Q35 VanDerWaalsContact O-CA 3.25Å; T7-Q35 WeakPolarHBondContact O-CA 3.31Å; L30-Q35 CarbonylContact C-O 3.52Å; L30-Q35 WeakPolarHBondContact CB-O 3.3Å; L30-Q35 HydrophobicContact CD2-CB 3.89Å; L30-Q35 PolarHBondContact O-N 3.38Å; T33-Q35 PolarHBondContact O-N 3.11Å; T33-Q35 PolarHBondContact OG1-OE1 2.98Å
36S90.6Very high93Very high57 Ų5743.3 Ų43.340%0.39924%0.244SC..EExtended strand (participates in β ladder)trans-100.8147.3171.460.20000110.8T7 D8 L9T7-S36 PolarHBondContact O-N 3.22Å; D8-S36 VanDerWaalsContact CA-OG 3.26Å; D8-S36 WeakPolarHBondContact CA-OG 3.16Å; D8-S36 WeakPolarHBondContact CB-OG 3.48Å; D8-S36 PolarHBondContact OD1-OG 3.3Å; L9-S36 PolarHBondContact N-O 2.74Å
37A92.8Very high93Very high23 Ų2347.4 Ų47.419%0.1926%0.259CS..EExtended strand (participates in β ladder)trans-157.8140.9163.600000109.7L9 G10 I12 L30 V39L9-A37 HydrophobicContact CB-CB 4.15Å; G10-A37 CarbonylContact O-C 3.54Å; G10-A37 VanDerWaalsContact O-CA 3.31Å; G10-A37 WeakPolarHBondContact O-CA 3.49Å; I12-A37 HydrophobicContact CD1-CB 3.52Å; I12-A37 HydrophobicContact CG1-CB 3.97Å; L30-A37 HydrophobicContact CD1-CB 3.77Å; L30-A37 HydrophobicContact CD2-CB 4.44Å; A37-V39 HydrophobicContact CB-CG2 4.3Å; A37-V39 PolarHBondContact O-N 3.16Å
38K94.1Very high93.1Very high110 Ų11051.7 Ų51.748%0.47828%0.283SS..EExtended strand (participates in β ladder)trans-83.292.3169.9171.8176.2176.5-172.60108.4G10 R11 I12 E90G10-K38 PolarHBondContact O-N 2.77Å; R11-K38 WeakPolarHBondContact CA-O 3.48Å; R11-K38 HydrophobicContact CG-CB 3.89Å; R11-K38 HydrophobicContact CG-CD 3.99Å; R11-K38 HydrophobicContact CG-CG 4.02Å; I12-K38 PolarHBondContact N-O 3.19Å; I12-K38 VanDerWaalsContact N-O 3.16Å; K38-E90 IonicContact NZ-OE2 3.33Å; K38-E90 PolarHBondContact NZ-OE2 3.11Å
39V94.9Very high93Very high5 Ų553.9 Ų53.93%0.0330%0.295CS..EExtended strand (participates in β ladder)trans-80.5139.7-179.5-175.70000110.4I12 V14 L26 I27 L30 A37 I69I12-V39 HydrophobicContact CB-CG2 4.37Å; I12-V39 HydrophobicContact CD1-CG2 4.38Å; I12-V39 CarbonylContact O-C 3.57Å; I12-V39 WeakPolarHBondContact O-CA 3.43Å; V14-V39 HydrophobicContact CG2-CG1 4.26Å; L26-V39 HydrophobicContact CD2-CG1 4.03Å; L26-V39 HydrophobicContact CD2-CG2 4.23Å; L26-V39 HydrophobicContact CG-CG2 4.43Å; I27-V39 HydrophobicContact CG2-CB 4.26Å; I27-V39 HydrophobicContact CG2-CG2 3.92Å; L30-V39 HydrophobicContact CD1-CG2 4.06Å; A37-V39 HydrophobicContact CB-CG2 4.3Å; A37-V39 PolarHBondContact O-N 3.16Å; V39-I69 HydrophobicContact CB-CG2 4.26Å; V39-I69 HydrophobicContact CG1-CG2 4.32Å
40V95.5Very high93.1Very high2 Ų251.5 Ų51.51%0.01228%0.284CS..EExtended strand (participates in β ladder)trans-123.6118.7167.6-178.50000107.5I12 L13 V14 T42 E70 L72 F92I12-V40 PolarHBondContact O-N 2.83Å; L13-V40 HydrophobicContact CD1-CB 4.08Å; L13-V40 HydrophobicContact CD1-CG1 4Å; V14-V40 PolarHBondContact N-O 2.93Å; V40-T42 HydrophobicContact CG1-CG2 4.37Å; V40-E70 CarbonylContact C-O 3.51Å; V40-E70 WeakPolarHBondContact CA-O 3.05Å; V40-E70 HydrophobicContact CG1-CB 4.3Å; V40-E70 HydrophobicContact CG1-CG 4.25Å; V40-E70 HydrophobicContact CG2-CB 4.31Å; V40-L72 HydrophobicContact CG1-CD1 3.82Å; V40-L72 HydrophobicContact CG1-CG 4.28Å; V40-F92 HydrophobicContact CB-CE1 4.09Å; V40-F92 HydrophobicContact CB-CZ 4.35Å; V40-F92 HydrophobicContact CG2-CE1 3.84Å; V40-F92 HydrophobicContact CG2-CZ 4.12Å
41A96.4Very high93.2Very high0 Ų053.8 Ų53.80%030%0.296CS..EExtended strand (participates in β ladder)trans-96.8140.7178.400000110.1L20 S23 E70 V71 L72L20-A41 HydrophobicContact CD2-CB 4.07Å; S23-A41 WeakPolarHBondContact OG-CB 3.46Å; A41-E70 PolarHBondContact N-O 2.99Å; A41-V71 HydrophobicContact CB-CG1 4.46Å; A41-V71 HydrophobicContact CB-CG2 4.33Å; A41-V71 CarbonylContact O-C 3.59Å; A41-V71 WeakPolarHBondContact O-CA 3.49Å; A41-L72 PolarHBondContact O-N 2.95Å
42T95.5Very high93.2Very high1 Ų158.3 Ų58.31%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-134.5145.2-18072.40000113.8L13 V14 I15 G16 D17 V40 L72 V75L13-T42 HydrophobicContact CD1-CG2 3.64Å; V14-T42 WeakPolarHBondContact O-CB 3.28Å; V14-T42 PolarHBondContact O-N 3.07Å; V14-T42 PolarHBondContact O-OG1 3Å; I15-T42 WeakPolarHBondContact CA-OG1 3.39Å; G16-T42 CarbonylContact C-O 3.6Å; G16-T42 WeakPolarHBondContact CA-O 3.33Å; G16-T42 PolarHBondContact N-O 2.87Å; G16-T42 VanDerWaalsContact N-O 3.1Å; G16-T42 PolarHBondContact N-OG1 2.9Å; D17-T42 PolarHBondContact N-O 2.62Å; V40-T42 HydrophobicContact CG1-CG2 4.37Å; T42-L72 CarbonylContact C-O 3.6Å; T42-L72 VanDerWaalsContact CA-O 3.28Å; T42-L72 WeakPolarHBondContact CA-O 3.46Å; T42-L72 HydrophobicContact CG2-CB 4.19Å; T42-L72 HydrophobicContact CG2-CD1 4.49Å; T42-V75 HydrophobicContact CG2-CG1 4.39Å; T42-V75 HydrophobicContact CG2-CG2 4.14Å
43V94.2Very high93.2Very high0 Ų055.8 Ų55.80%028%0.284CS..  trans-126.7134.8-173.9176.70000109.5L20 E45 W50 L72 F73 N74 V75L20-V43 HydrophobicContact CD1-CG2 4.49Å; L20-V43 HydrophobicContact CD2-CG2 3.65Å; L20-V43 HydrophobicContact CG-CG2 4.12Å; V43-E45 HydrophobicContact CG1-CB 4.2Å; V43-W50 HydrophobicContact CG1-CB 4.34Å; V43-W50 HydrophobicContact CG1-CG 4.05Å; V43-L72 PolarHBondContact N-O 3.02Å; V43-F73 HydrophobicContact CB-CD1 3.78Å; V43-F73 HydrophobicContact CB-CE1 4.09Å; V43-F73 HydrophobicContact CB-CG 4.48Å; V43-F73 HydrophobicContact CG1-CD1 3.84Å; V43-F73 HydrophobicContact CG1-CE1 4.11Å; V43-F73 HydrophobicContact CG2-CD1 4.19Å; V43-F73 HydrophobicContact CG2-CE1 3.99Å; V43-F73 CarbonylContact O-C 3.58Å; V43-N74 PolarHBondContact O-N 3.26Å; V43-V75 PolarHBondContact O-N 3.01Å
44F92.3Very high93.3Very high113 Ų11353.7 Ų53.750%0.49627%0.271SS..SBendtrans-69.8-39.2179.3178-100.5000112.6N74 D76F44-N74 WeakPolarHBondContact O-CA 3.1Å; F44-D76 HydrophobicContact CD2-CB 4.37Å; F44-D76 HydrophobicContact CE2-CB 4.04Å
45E91.4Very high93.4Very high38 Ų3854 Ų5418%0.17827%0.268CS..SBendtrans-69.8147173.9-71.785.3172.700113.8V43 K49 W50 K53 N74V43-E45 HydrophobicContact CG1-CB 4.2Å; E45-K49 HydrophobicContact CB-CB 4.17Å; E45-K49 HydrophobicContact CG-CB 4.33Å; E45-W50 HydrophobicContact CB-CB 4.21Å; E45-K53 HydrophobicContact CG-CD 4.5Å; E45-K53 WeakPolarHBondContact OE1-CD 3.4Å; E45-K53 IonicContact OE1-NZ 2.64Å; E45-K53 PolarHBondContact OE1-NZ 3.15Å; E45-N74 PolarHBondContact O-N 3.39Å
46T94.6Very high93.6Very high41 Ų4156.8 Ų56.825%0.25230%0.296SS..  trans-57.9143.4159.550.70000111.2D48 K49 W50 N74T46-D48 VanDerWaalsContact C-N 3.31Å; T46-D48 PolarHBondContact O-N 2.82Å; T46-D48 VanDerWaalsContact O-N 3.12Å; T46-K49 WeakPolarHBondContact O-CA 3.5Å; T46-K49 WeakPolarHBondContact O-CB 3.45Å; T46-K49 PolarHBondContact O-N 2.86Å; T46-K49 VanDerWaalsContact OG1-CD 3.32Å; T46-K49 WeakPolarHBondContact OG1-CD 3.41Å; T46-K49 VanDerWaalsContact OG1-CG 3.3Å; T46-K49 WeakPolarHBondContact OG1-CG 3.23Å; T46-W50 PolarHBondContact O-N 3.38Å; T46-N74 HydrophobicContact CG2-CB 3.92Å; T46-N74 VanDerWaalsContact CG2-OD1 3.28Å; T46-N74 WeakPolarHBondContact CG2-OD1 3.49Å
47R95.7Very high93.7Very high95 Ų9555.1 Ų55.136%0.35828%0.282SS..Hα-helixtrans-47.2-46.5-176-163.4174.1180113.8-1.4113.4K49 W50 L51 E65 F73R47-K49 VanDerWaalsContact C-N 3.31Å; R47-K49 PolarHBondContact O-N 3.39Å; R47-W50 PolarHBondContact O-N 2.89Å; R47-W50 VanDerWaalsContact O-N 3.14Å; R47-L51 HydrophobicContact CG-CD1 4.06Å; R47-L51 HydrophobicContact CG-CG 4.33Å; R47-L51 WeakPolarHBondContact O-CB 3.4Å; R47-L51 WeakPolarHBondContact O-CG 3.4Å; R47-L51 PolarHBondContact O-N 3.07Å; R47-E65 IonicContact CZ-OE1 3.21Å; R47-E65 IonicContact CZ-OE2 3.92Å; R47-E65 IonicContact NH1-OE1 2.76Å; R47-E65 PolarHBondContact NH1-OE1 2.82Å; R47-E65 VanDerWaalsContact NH2-CD 3.27Å; R47-E65 IonicContact NH2-OE1 2.83Å; R47-E65 PolarHBondContact NH2-OE1 3.19Å; R47-E65 IonicContact NH2-OE2 2.86Å; R47-E65 PolarHBondContact NH2-OE2 2.8Å; R47-F73 HydrophobicContact CB-CB 4.23Å; R47-F73 HydrophobicContact CB-CD1 4.03Å; R47-F73 HydrophobicContact CB-CD2 4.06Å; R47-F73 HydrophobicContact CB-CE1 4.44Å; R47-F73 HydrophobicContact CB-CE2 4.47Å; R47-F73 HydrophobicContact CB-CG 3.82Å; R47-F73 HydrophobicContact CG-CD1 4.32Å; R47-F73 HydrophobicContact CG-CD2 4.06Å; R47-F73 HydrophobicContact CG-CE1 4.25Å; R47-F73 HydrophobicContact CG-CE2 3.99Å; R47-F73 HydrophobicContact CG-CG 4.23Å; R47-F73 HydrophobicContact CG-CZ 4.07Å
48D96.6Very high93.8Very high113 Ų11357.9 Ų57.960%0.60429%0.29SS*.Hα-helixtrans-61-34.5178.8-50.9-26.9000114.5T46 K52T46-D48 VanDerWaalsContact C-N 3.31Å; T46-D48 PolarHBondContact O-N 2.82Å; T46-D48 VanDerWaalsContact O-N 3.12Å; D48-K52 WeakPolarHBondContact O-CD 3.44Å; D48-K52 VanDerWaalsContact O-CG 3.31Å; D48-K52 WeakPolarHBondContact O-CG 3.36Å; D48-K52 PolarHBondContact O-N 3.29Å
49K93.9Very high93.9Very high136 Ų13656.2 Ų56.259%0.59129%0.292SS*.Hα-helixtrans-77.5-39.5176.3-69.4179.1-170.1168.20110.3E45 T46 R47 K52 K53E45-K49 HydrophobicContact CB-CB 4.17Å; E45-K49 HydrophobicContact CG-CB 4.33Å; T46-K49 WeakPolarHBondContact O-CA 3.5Å; T46-K49 WeakPolarHBondContact O-CB 3.45Å; T46-K49 PolarHBondContact O-N 2.86Å; T46-K49 VanDerWaalsContact OG1-CD 3.32Å; T46-K49 WeakPolarHBondContact OG1-CD 3.41Å; T46-K49 VanDerWaalsContact OG1-CG 3.3Å; T46-K49 WeakPolarHBondContact OG1-CG 3.23Å; R47-K49 VanDerWaalsContact C-N 3.31Å; R47-K49 PolarHBondContact O-N 3.39Å; K49-K52 PolarHBondContact O-N 3.23Å; K49-K53 WeakPolarHBondContact O-CB 3.38Å; K49-K53 PolarHBondContact O-N 3.32Å
50W94.4Very high94Very high0 Ų056.1 Ų56.10%029%0.293CS..Hα-helixtrans-61.5-50.2175.6-173.689.3000111.2G18 L20 V43 E45 T46 R47 K52 K53 F54 F57 H58 L61 F73G18-W50 PolarHBondContact O-NE1 2.95Å; L20-W50 HydrophobicContact CB-CZ2 4.42Å; L20-W50 HydrophobicContact CD1-CH2 4.04Å; L20-W50 HydrophobicContact CD1-CZ2 3.68Å; L20-W50 HydrophobicContact CG-CZ2 4.02Å; V43-W50 HydrophobicContact CG1-CB 4.34Å; V43-W50 HydrophobicContact CG1-CG 4.05Å; E45-W50 HydrophobicContact CB-CB 4.21Å; T46-W50 PolarHBondContact O-N 3.38Å; R47-W50 PolarHBondContact O-N 2.89Å; R47-W50 VanDerWaalsContact O-N 3.14Å; W50-K52 PolarHBondContact O-N 3.02Å; W50-K53 PolarHBondContact O-N 2.78Å; W50-K53 VanDerWaalsContact O-N 3.07Å; W50-F54 AromaticContact CD1-CD2 3.34Å; W50-F54 AromaticContact CD1-CE2 3.81Å; W50-F54 HydrophobicContact CD2-CB 4.23Å; W50-F54 HydrophobicContact CD2-CD2 4.38Å; W50-F54 AromaticContact CG-CD2 3.98Å; W50-F54 HydrophobicContact CG-CD2 3.98Å; W50-F54 HydrophobicContact CH2-CB 4.44Å; W50-F54 HydrophobicContact CZ2-CB 3.91Å; W50-F54 AromaticContact NE1-CD2 3.39Å; W50-F54 AromaticContact NE1-CE2 3.97Å; W50-F54 AromaticContact NE1-CG 3.86Å; W50-F54 PolarHBondContact O-N 3.39Å; W50-F57 HydrophobicContact CH2-CB 4.31Å; W50-F57 HydrophobicContact CZ2-CB 4.28Å; W50-H58 AromaticContact CZ3-CD2 3.88Å; W50-L61 HydrophobicContact CE3-CD2 4.03Å; W50-L61 HydrophobicContact CH2-CB 3.67Å; W50-L61 HydrophobicContact CH2-CD2 4.27Å; W50-L61 HydrophobicContact CZ3-CB 3.81Å; W50-L61 HydrophobicContact CZ3-CD2 3.56Å; W50-L61 HydrophobicContact CZ3-CG 4.32Å; W50-F73 HydrophobicContact CB-CD1 4.02Å; W50-F73 HydrophobicContact CB-CE1 3.73Å; W50-F73 AromaticContact CD2-CE1 3.85Å; W50-F73 HydrophobicContact CD2-CE1 3.85Å; W50-F73 HydrophobicContact CD2-CZ 4.47Å; W50-F73 HydrophobicContact CE3-CE1 4.16Å; W50-F73 HydrophobicContact CE3-CZ 4.45Å; W50-F73 HydrophobicContact CG-CD1 4.31Å; W50-F73 AromaticContact CG-CE1 3.63Å; W50-F73 HydrophobicContact CG-CE1 3.63Å
51L94.7Very high94.1Very high54 Ų5456.3 Ų56.328%0.28329%0.294SS..Hα-helixtrans-55.6-37.1178.3-72.3169.6000112.1R47 H58 L61R47-L51 HydrophobicContact CG-CD1 4.06Å; R47-L51 HydrophobicContact CG-CG 4.33Å; R47-L51 WeakPolarHBondContact O-CB 3.4Å; R47-L51 WeakPolarHBondContact O-CG 3.4Å; R47-L51 PolarHBondContact O-N 3.07Å; L51-H58 WeakPolarHBondContact CA-NE2 3.47Å; L51-H58 PolarHBondContact O-NE2 2.93Å; L51-L61 HydrophobicContact CD2-CD2 4.21Å
52K92.8Very high94.1Very high175 Ų17562.1 Ų62.176%0.76132%0.319SS*.Hα-helixtrans-77.7-38.2176.4-68.2172.3-173.5179.40113.1D48 K49 W50D48-K52 WeakPolarHBondContact O-CD 3.44Å; D48-K52 VanDerWaalsContact O-CG 3.31Å; D48-K52 WeakPolarHBondContact O-CG 3.36Å; D48-K52 PolarHBondContact O-N 3.29Å; K49-K52 PolarHBondContact O-N 3.23Å; W50-K52 PolarHBondContact O-N 3.02Å
53K89.8Confident94.2Very high77 Ų7765.2 Ų65.234%0.33533%0.333SS..Hα-helixtrans-77.9-34-175.9-177.7-176.7171.5-153.50113.4E45 K49 W50 G201E45-K53 HydrophobicContact CG-CD 4.5Å; E45-K53 WeakPolarHBondContact OE1-CD 3.4Å; E45-K53 IonicContact OE1-NZ 2.64Å; E45-K53 PolarHBondContact OE1-NZ 3.15Å; K49-K53 WeakPolarHBondContact O-CB 3.38Å; K49-K53 PolarHBondContact O-N 3.32Å; W50-K53 PolarHBondContact O-N 2.78Å; W50-K53 VanDerWaalsContact O-N 3.07Å; K53-G201 WeakPolarHBondContact CE-O 3.49Å
54F90.9Very high94.3Very high5 Ų565.2 Ų65.22%0.02233%0.333CS..THydrogen-bonded Turntrans-120.840.7-173.8-64.8-79000111.5G18 N19 W50 A56 F57G18-F54 VanDerWaalsContact O-CD2 3.3Å; G18-F54 WeakPolarHBondContact O-CD2 3.28Å; G18-F54 WeakPolarHBondContact O-CE2 3.44Å; G18-F54 WeakPolarHBondContact O-CZ 3.33Å; N19-F54 HydrophobicContact CB-CD1 3.72Å; N19-F54 HydrophobicContact CB-CE1 3.89Å; N19-F54 HydrophobicContact CB-CG 4.48Å; W50-F54 AromaticContact CD1-CD2 3.34Å; W50-F54 AromaticContact CD1-CE2 3.81Å; W50-F54 HydrophobicContact CD2-CB 4.23Å; W50-F54 HydrophobicContact CD2-CD2 4.38Å; W50-F54 AromaticContact CG-CD2 3.98Å; W50-F54 HydrophobicContact CG-CD2 3.98Å; W50-F54 HydrophobicContact CH2-CB 4.44Å; W50-F54 HydrophobicContact CZ2-CB 3.91Å; W50-F54 AromaticContact NE1-CD2 3.39Å; W50-F54 AromaticContact NE1-CE2 3.97Å; W50-F54 AromaticContact NE1-CG 3.86Å; W50-F54 PolarHBondContact O-N 3.39Å; F54-A56 PolarHBondContact O-N 2.87Å; F54-A56 VanDerWaalsContact O-N 3.15Å; F54-F57 HydrophobicContact CB-CB 4.39Å; F54-F57 HydrophobicContact CB-CD2 4.08Å; F54-F57 AromaticContact CD1-CD2 3.97Å; F54-F57 HydrophobicContact CD1-CD2 3.97Å; F54-F57 HydrophobicContact CD1-CE2 4.32Å; F54-F57 PolarHBondContact O-N 3.47Å
55A92.1Very high94.5Very high62 Ų6263.6 Ų63.651%0.51233%0.327SS..G310 helixtrans-51.9-37.9-178.300000114F57 H58A55-F57 PolarHBondContact O-N 3.47Å; A55-H58 PolarHBondContact O-CD2 3.31Å; A55-H58 PolarHBondContact O-N 3.21Å
56A91.9Very high94.7Very high86 Ų8666.7 Ų66.771%0.71135%0.345SS*.G310 helixtrans-64.7-17.7176.400000114.4F54F54-A56 PolarHBondContact O-N 2.87Å; F54-A56 VanDerWaalsContact O-N 3.15Å
57F93.8Very high94.7Very high22 Ų2271.3 Ų71.310%0.09636%0.363CS..G310 helixtrans-107.610-174.1-58.7-80.8000113.3N19 T21 W50 F54 A55 S59 A60 L61 E195 T197N19-F57 HydrophobicContact CB-CB 4.34Å; N19-F57 HydrophobicContact CB-CD1 4.06Å; N19-F57 HydrophobicContact CB-CD2 3.84Å; N19-F57 HydrophobicContact CB-CE1 4.35Å; N19-F57 HydrophobicContact CB-CE2 4.14Å; N19-F57 HydrophobicContact CB-CG 3.8Å; N19-F57 HydrophobicContact CB-CZ 4.39Å; N19-F57 VanDerWaalsContact ND2-CE1 3.33Å; N19-F57 WeakPolarHBondContact ND2-CE1 3.32Å; N19-F57 WeakPolarHBondContact ND2-CZ 3.47Å; T21-F57 HydrophobicContact CG2-CD1 3.58Å; T21-F57 HydrophobicContact CG2-CE1 3.86Å; W50-F57 HydrophobicContact CH2-CB 4.31Å; W50-F57 HydrophobicContact CZ2-CB 4.28Å; F54-F57 HydrophobicContact CB-CB 4.39Å; F54-F57 HydrophobicContact CB-CD2 4.08Å; F54-F57 AromaticContact CD1-CD2 3.97Å; F54-F57 HydrophobicContact CD1-CD2 3.97Å; F54-F57 HydrophobicContact CD1-CE2 4.32Å; F54-F57 PolarHBondContact O-N 3.47Å; A55-F57 PolarHBondContact O-N 3.47Å; F57-S59 PolarHBondContact O-N 2.83Å; F57-S59 VanDerWaalsContact O-N 3.17Å; F57-A60 WeakPolarHBondContact O-CB 3.12Å; F57-A60 PolarHBondContact O-N 2.9Å; F57-L61 PolarHBondContact O-N 3.1Å; F57-E195 HydrophobicContact CE1-CB 4.27Å; F57-E195 WeakPolarHBondContact CE1-OE2 3.46Å; F57-T197 HydrophobicContact CE2-CG2 4.05Å; F57-T197 HydrophobicContact CZ-CG2 3.8Å
58H95.1Very high94.6Very high80 Ų8070 Ų7037%0.3738%0.38SS..Hα-helixtrans-54.7-33.6175.3-75.1-169000112.8W50 L51 A55 A60 L61 K62W50-H58 AromaticContact CZ3-CD2 3.88Å; L51-H58 WeakPolarHBondContact CA-NE2 3.47Å; L51-H58 PolarHBondContact O-NE2 2.93Å; A55-H58 PolarHBondContact O-CD2 3.31Å; A55-H58 PolarHBondContact O-N 3.21Å; H58-A60 VanDerWaalsContact C-N 3.27Å; H58-A60 PolarHBondContact O-N 3.5Å; H58-L61 PolarHBondContact O-N 2.86Å; H58-K62 PolarHBondContact O-N 3.17Å
59S95.8Very high94.6Very high75 Ų7566 Ų6652%0.52436%0.359SS..Hα-helixtrans-62.5-30.4174.354.70000113.3F57 Q63F57-S59 PolarHBondContact O-N 2.83Å; F57-S59 VanDerWaalsContact O-N 3.17Å; S59-Q63 WeakPolarHBondContact O-CB 3.41Å; S59-Q63 WeakPolarHBondContact O-CG 3.28Å; S59-Q63 PolarHBondContact O-N 3.41Å; S59-Q63 VanDerWaalsContact O-N 3.08Å; S59-Q63 PolarHBondContact O-NE2 2.74Å
60A96.2Very high94.6Very high4 Ų462.7 Ų62.73%0.03335%0.345CS..Hα-helixtrans-77.4-40.317700000111.8T21 L24 F57 H58 L64T21-A60 HydrophobicContact CG2-CB 4.44Å; L24-A60 HydrophobicContact CD2-CB 3.84Å; F57-A60 WeakPolarHBondContact O-CB 3.12Å; F57-A60 PolarHBondContact O-N 2.9Å; H58-A60 VanDerWaalsContact C-N 3.27Å; H58-A60 PolarHBondContact O-N 3.5Å; A60-L64 WeakPolarHBondContact O-CG 3.49Å; A60-L64 PolarHBondContact O-N 2.6Å; A60-L64 VanDerWaalsContact O-N 3.11Å
61L97.2Very high94.6Very high6 Ų663.5 Ų63.53%0.03135%0.35CS..Hα-helixtrans-58.5-50.3169.517558.1000110.7L20 W50 L51 F57 H58 Q63 L64 E65 V71 F73L20-L61 HydrophobicContact CD1-CB 3.84Å; L20-L61 HydrophobicContact CD1-CD1 3.67Å; L20-L61 HydrophobicContact CD1-CG 4.29Å; W50-L61 HydrophobicContact CE3-CD2 4.03Å; W50-L61 HydrophobicContact CH2-CB 3.67Å; W50-L61 HydrophobicContact CH2-CD2 4.27Å; W50-L61 HydrophobicContact CZ3-CB 3.81Å; W50-L61 HydrophobicContact CZ3-CD2 3.56Å; W50-L61 HydrophobicContact CZ3-CG 4.32Å; L51-L61 HydrophobicContact CD2-CD2 4.21Å; F57-L61 PolarHBondContact O-N 3.1Å; H58-L61 PolarHBondContact O-N 2.86Å; L61-Q63 PolarHBondContact O-N 2.94Å; L61-L64 PolarHBondContact O-N 3.3Å; L61-L64 VanDerWaalsContact O-N 3.17Å; L61-E65 HydrophobicContact CD1-CG 3.95Å; L61-E65 WeakPolarHBondContact O-CG 3.23Å; L61-E65 PolarHBondContact O-N 2.9Å; L61-V71 HydrophobicContact CD1-CB 4.17Å; L61-V71 HydrophobicContact CD1-CG1 3.91Å; L61-V71 HydrophobicContact CD1-CG2 4.23Å; L61-F73 HydrophobicContact CD1-CE2 4.18Å; L61-F73 HydrophobicContact CD1-CZ 3.89Å; L61-F73 HydrophobicContact CD2-CZ 3.98Å
62K97.1Very high94.6Very high121 Ų12163.3 Ų63.353%0.52635%0.349SS..Hα-helixtrans-59.4-45.8-179.1-161.5-161.9177.1-100.70111.8H58 L64 E65 D66H58-K62 PolarHBondContact O-N 3.17Å; K62-L64 VanDerWaalsContact C-N 3.32Å; K62-L64 PolarHBondContact O-N 3.14Å; K62-E65 PolarHBondContact O-N 2.77Å; K62-E65 VanDerWaalsContact O-N 3.15Å; K62-D66 VanDerWaalsContact NZ-CG 3.3Å; K62-D66 IonicContact NZ-OD1 3.6Å; K62-D66 PolarHBondContact NZ-OD1 3Å; K62-D66 IonicContact NZ-OD2 3.09Å; K62-D66 PolarHBondContact NZ-OD2 3.47Å; K62-D66 WeakPolarHBondContact O-CB 3.25Å; K62-D66 PolarHBondContact O-N 3.32Å
63Q97.1Very high94.7Very high67 Ų6756.8 Ų56.831%0.31332%0.321SS..Hα-helixtrans-60.7-38.4177.1-81.7165.887.500112.9L24 S59 L61 E67L24-Q63 HydrophobicContact CD1-CB 3.87Å; S59-Q63 WeakPolarHBondContact O-CB 3.41Å; S59-Q63 WeakPolarHBondContact O-CG 3.28Å; S59-Q63 PolarHBondContact O-N 3.41Å; S59-Q63 VanDerWaalsContact O-N 3.08Å; S59-Q63 PolarHBondContact O-NE2 2.74Å; L61-Q63 PolarHBondContact O-N 2.94Å; Q63-E67 VanDerWaalsContact O-CB 3.26Å; Q63-E67 WeakPolarHBondContact O-CB 3.31Å; Q63-E67 WeakPolarHBondContact O-CG 3.35Å; Q63-E67 PolarHBondContact O-N 2.86Å
64L97.3Very high94.9Very high0 Ų058.2 Ų58.20%033%0.332CS..Hα-helixtrans-66.2-39.6174.6-71.6170.8000112.2L20 L24 I27 A60 L61 K62 G68 I69 V71L20-L64 HydrophobicContact CB-CD1 3.78Å; L20-L64 HydrophobicContact CD1-CD1 4.41Å; L20-L64 HydrophobicContact CD2-CD1 4.18Å; L20-L64 HydrophobicContact CG-CD1 4.35Å; L24-L64 HydrophobicContact CB-CD2 4.41Å; L24-L64 HydrophobicContact CB-CG 4.5Å; I27-L64 HydrophobicContact CD1-CD2 3.86Å; I27-L64 HydrophobicContact CG1-CD2 4.23Å; A60-L64 WeakPolarHBondContact O-CG 3.49Å; A60-L64 PolarHBondContact O-N 2.6Å; A60-L64 VanDerWaalsContact O-N 3.11Å; L61-L64 PolarHBondContact O-N 3.3Å; L61-L64 VanDerWaalsContact O-N 3.17Å; K62-L64 VanDerWaalsContact C-N 3.32Å; K62-L64 PolarHBondContact O-N 3.14Å; L64-G68 PolarHBondContact O-N 3.39Å; L64-I69 HydrophobicContact CB-CB 4.22Å; L64-I69 HydrophobicContact CD2-CB 4.13Å; L64-I69 HydrophobicContact CD2-CG1 3.97Å; L64-I69 HydrophobicContact CD2-CG2 4.2Å; L64-I69 VanDerWaalsContact O-CB 3.31Å; L64-I69 WeakPolarHBondContact O-CB 3.49Å; L64-I69 PolarHBondContact O-N 3Å; L64-V71 HydrophobicContact CB-CG2 3.8Å; L64-V71 HydrophobicContact CD1-CG2 4.15Å
65E96.4Very high95Very high79 Ų7958.7 Ų58.737%0.36934%0.335SS..Hα-helixtrans-72-38.4177.8-66.4-177.6143.400112.1R47 L61 K62 G68R47-E65 IonicContact CZ-OE1 3.21Å; R47-E65 IonicContact CZ-OE2 3.92Å; R47-E65 IonicContact NH1-OE1 2.76Å; R47-E65 PolarHBondContact NH1-OE1 2.82Å; R47-E65 VanDerWaalsContact NH2-CD 3.27Å; R47-E65 IonicContact NH2-OE1 2.83Å; R47-E65 PolarHBondContact NH2-OE1 3.19Å; R47-E65 IonicContact NH2-OE2 2.86Å; R47-E65 PolarHBondContact NH2-OE2 2.8Å; L61-E65 HydrophobicContact CD1-CG 3.95Å; L61-E65 WeakPolarHBondContact O-CG 3.23Å; L61-E65 PolarHBondContact O-N 2.9Å; K62-E65 PolarHBondContact O-N 2.77Å; K62-E65 VanDerWaalsContact O-N 3.15Å; E65-G68 PolarHBondContact O-N 2.84Å
66D96.3Very high94.9Very high103 Ų10356.8 Ų56.855%0.55132%0.316SS*.Hα-helixtrans-64.2-38.1173.9-68.2-29000111.3K62 G68K62-D66 VanDerWaalsContact NZ-CG 3.3Å; K62-D66 IonicContact NZ-OD1 3.6Å; K62-D66 PolarHBondContact NZ-OD1 3Å; K62-D66 IonicContact NZ-OD2 3.09Å; K62-D66 PolarHBondContact NZ-OD2 3.47Å; K62-D66 WeakPolarHBondContact O-CB 3.25Å; K62-D66 PolarHBondContact O-N 3.32Å; D66-G68 PolarHBondContact O-N 3.46Å
67E94Very high94.8Very high137 Ų13753.1 Ų53.164%0.6429%0.285SS*.THydrogen-bonded Turntrans-816.6174.9-63.9-85.8-173.700113.2I27 Q63 I69I27-E67 HydrophobicContact CD1-CB 3.98Å; I27-E67 HydrophobicContact CD1-CG 4.01Å; Q63-E67 VanDerWaalsContact O-CB 3.26Å; Q63-E67 WeakPolarHBondContact O-CB 3.31Å; Q63-E67 WeakPolarHBondContact O-CG 3.35Å; Q63-E67 PolarHBondContact O-N 2.86Å; E67-I69 HydrophobicContact CB-CG1 4.31Å; E67-I69 PolarHBondContact O-N 3.15Å
68G94.2Very high94.5Very high69 Ų6955 Ų5571%0.71130%0.298SS*.THydrogen-bonded Turntrans73.418.1174.700000116.1L64 E65 D66L64-G68 PolarHBondContact O-N 3.39Å; E65-G68 PolarHBondContact O-N 2.84Å; D66-G68 PolarHBondContact O-N 3.46Å
69I94.9Very high94Very high29 Ų2956.9 Ų56.915%0.14931%0.305CS..  trans-78.9132-179.9-52.1-55.8000110.9I27 V39 L64 E67 V71I27-I69 HydrophobicContact CD1-CG1 4.11Å; I27-I69 HydrophobicContact CG2-CD1 3.88Å; I27-I69 HydrophobicContact CG2-CG1 4.16Å; V39-I69 HydrophobicContact CB-CG2 4.26Å; V39-I69 HydrophobicContact CG1-CG2 4.32Å; L64-I69 HydrophobicContact CB-CB 4.22Å; L64-I69 HydrophobicContact CD2-CB 4.13Å; L64-I69 HydrophobicContact CD2-CG1 3.97Å; L64-I69 HydrophobicContact CD2-CG2 4.2Å; L64-I69 VanDerWaalsContact O-CB 3.31Å; L64-I69 WeakPolarHBondContact O-CB 3.49Å; L64-I69 PolarHBondContact O-N 3Å; E67-I69 HydrophobicContact CB-CG1 4.31Å; E67-I69 PolarHBondContact O-N 3.15Å; I69-V71 PolarHBondContact O-N 2.9Å; I69-V71 VanDerWaalsContact O-N 3.12Å
70E94.3Very high93Very high66 Ų6657.3 Ų57.331%0.30831%0.305SS..EExtended strand (participates in β ladder)trans-72.8104.8178.1-174.8168.9-157.400110.1V40 A41 L72 K89V40-E70 CarbonylContact C-O 3.51Å; V40-E70 WeakPolarHBondContact CA-O 3.05Å; V40-E70 HydrophobicContact CG1-CB 4.3Å; V40-E70 HydrophobicContact CG1-CG 4.25Å; V40-E70 HydrophobicContact CG2-CB 4.31Å; A41-E70 PolarHBondContact N-O 2.99Å; E70-L72 HydrophobicContact CG-CD1 4.38Å; E70-L72 HydrophobicContact CG-CD2 3.83Å; E70-L72 HydrophobicContact CG-CG 4.03Å; E70-K89 VanDerWaalsContact CD-NZ 3.32Å; E70-K89 IonicContact OE1-NZ 2.67Å; E70-K89 PolarHBondContact OE1-NZ 3.12Å; E70-K89 IonicContact OE2-NZ 2.61Å; E70-K89 PolarHBondContact OE2-NZ 3.13Å
71V95.9Very high91.8Very high16 Ų1664 Ų6410%0.09734%0.34CS..EExtended strand (participates in β ladder)trans-103.5112.1178-1710000111.2L20 A41 L61 L64 I69 F73L20-V71 HydrophobicContact CD1-CG1 3.85Å; L20-V71 HydrophobicContact CD2-CG1 3.75Å; L20-V71 HydrophobicContact CG-CG1 4.49Å; A41-V71 HydrophobicContact CB-CG1 4.46Å; A41-V71 HydrophobicContact CB-CG2 4.33Å; A41-V71 CarbonylContact O-C 3.59Å; A41-V71 WeakPolarHBondContact O-CA 3.49Å; L61-V71 HydrophobicContact CD1-CB 4.17Å; L61-V71 HydrophobicContact CD1-CG1 3.91Å; L61-V71 HydrophobicContact CD1-CG2 4.23Å; L64-V71 HydrophobicContact CB-CG2 3.8Å; L64-V71 HydrophobicContact CD1-CG2 4.15Å; I69-V71 PolarHBondContact O-N 2.9Å; I69-V71 VanDerWaalsContact O-N 3.12Å; V71-F73 HydrophobicContact CB-CE2 4.44Å; V71-F73 HydrophobicContact CG1-CE2 3.78Å; V71-F73 HydrophobicContact CG1-CZ 3.98Å
72L94.6Very high90.4Very high50 Ų5065.4 Ų65.426%0.26236%0.356SS..EExtended strand (participates in β ladder)trans-108.1131-174.1-55.4175.8000112.1V40 A41 T42 V43 E70 V75 L86V40-L72 HydrophobicContact CG1-CD1 3.82Å; V40-L72 HydrophobicContact CG1-CG 4.28Å; A41-L72 PolarHBondContact O-N 2.95Å; T42-L72 CarbonylContact C-O 3.6Å; T42-L72 VanDerWaalsContact CA-O 3.28Å; T42-L72 WeakPolarHBondContact CA-O 3.46Å; T42-L72 HydrophobicContact CG2-CB 4.19Å; T42-L72 HydrophobicContact CG2-CD1 4.49Å; V43-L72 PolarHBondContact N-O 3.02Å; E70-L72 HydrophobicContact CG-CD1 4.38Å; E70-L72 HydrophobicContact CG-CD2 3.83Å; E70-L72 HydrophobicContact CG-CG 4.03Å; L72-V75 HydrophobicContact CB-CG2 3.94Å; L72-L86 HydrophobicContact CD1-CD2 3.41Å; L72-L86 VanDerWaalsContact CD1-CD2 3.41Å
73F94.4Very high89.3Confident39 Ų3959.7 Ų59.717%0.17133%0.331CS..  trans-105.5161.8-178.6-68.1-90.9000111.8L20 V43 R47 W50 L61 V71 V75L20-F73 HydrophobicContact CD1-CZ 4.47Å; V43-F73 HydrophobicContact CB-CD1 3.78Å; V43-F73 HydrophobicContact CB-CE1 4.09Å; V43-F73 HydrophobicContact CB-CG 4.48Å; V43-F73 HydrophobicContact CG1-CD1 3.84Å; V43-F73 HydrophobicContact CG1-CE1 4.11Å; V43-F73 HydrophobicContact CG2-CD1 4.19Å; V43-F73 HydrophobicContact CG2-CE1 3.99Å; V43-F73 CarbonylContact O-C 3.58Å; R47-F73 HydrophobicContact CB-CB 4.23Å; R47-F73 HydrophobicContact CB-CD1 4.03Å; R47-F73 HydrophobicContact CB-CD2 4.06Å; R47-F73 HydrophobicContact CB-CE1 4.44Å; R47-F73 HydrophobicContact CB-CE2 4.47Å; R47-F73 HydrophobicContact CB-CG 3.82Å; R47-F73 HydrophobicContact CG-CD1 4.32Å; R47-F73 HydrophobicContact CG-CD2 4.06Å; R47-F73 HydrophobicContact CG-CE1 4.25Å; R47-F73 HydrophobicContact CG-CE2 3.99Å; R47-F73 HydrophobicContact CG-CG 4.23Å; R47-F73 HydrophobicContact CG-CZ 4.07Å; W50-F73 HydrophobicContact CB-CD1 4.02Å; W50-F73 HydrophobicContact CB-CE1 3.73Å; W50-F73 AromaticContact CD2-CE1 3.85Å; W50-F73 HydrophobicContact CD2-CE1 3.85Å; W50-F73 HydrophobicContact CD2-CZ 4.47Å; W50-F73 HydrophobicContact CE3-CE1 4.16Å; W50-F73 HydrophobicContact CE3-CZ 4.45Å; W50-F73 HydrophobicContact CG-CD1 4.31Å; W50-F73 AromaticContact CG-CE1 3.63Å; W50-F73 HydrophobicContact CG-CE1 3.63Å; L61-F73 HydrophobicContact CD1-CE2 4.18Å; L61-F73 HydrophobicContact CD1-CZ 3.89Å; L61-F73 HydrophobicContact CD2-CZ 3.98Å; V71-F73 HydrophobicContact CB-CE2 4.44Å; V71-F73 HydrophobicContact CG1-CE2 3.78Å; V71-F73 HydrophobicContact CG1-CZ 3.98Å; F73-V75 VanDerWaalsContact C-N 3.28Å; F73-V75 PolarHBondContact O-N 3.48Å
74N93.4Very high87.9Confident106 Ų10658.3 Ų58.357%0.56733%0.331SS*.SBendtrans60.931.4-178.7-166.473.6000114V43 F44 E45 T46 D76V43-N74 PolarHBondContact O-N 3.26Å; F44-N74 WeakPolarHBondContact O-CA 3.1Å; E45-N74 PolarHBondContact O-N 3.39Å; T46-N74 HydrophobicContact CG2-CB 3.92Å; T46-N74 VanDerWaalsContact CG2-OD1 3.28Å; T46-N74 WeakPolarHBondContact CG2-OD1 3.49Å; N74-D76 PolarHBondContact O-N 3.44Å
75V92.2Very high86.8Confident15 Ų1560.6 Ų60.69%0.09135%0.35CS..  trans-86.8102.6178.8-178.90000109.8T42 V43 L72 F73 L86T42-V75 HydrophobicContact CG2-CG1 4.39Å; T42-V75 HydrophobicContact CG2-CG2 4.14Å; V43-V75 PolarHBondContact O-N 3.01Å; L72-V75 HydrophobicContact CB-CG2 3.94Å; F73-V75 VanDerWaalsContact C-N 3.28Å; F73-V75 PolarHBondContact O-N 3.48Å; V75-L86 HydrophobicContact CG1-CD1 4.17Å
76D90.8Very high85.9Confident23 Ų2357.7 Ų57.712%0.12334%0.337CS..  trans-96.7110.1177.3-171.3-22.8000111.2F44 N74 T78 K79F44-D76 HydrophobicContact CD2-CB 4.37Å; F44-D76 HydrophobicContact CE2-CB 4.04Å; N74-D76 PolarHBondContact O-N 3.44Å; D76-T78 PolarHBondContact O-N 2.93Å; D76-T78 VanDerWaalsContact O-N 3.12Å; D76-T78 WeakPolarHBondContact OD1-CB 2.95Å; D76-T78 PolarHBondContact OD1-N 2.86Å; D76-T78 PolarHBondContact OD1-OG1 2.88Å; D76-K79 HydrophobicContact CB-CB 4.31Å; D76-K79 HydrophobicContact CB-CD 4.2Å; D76-K79 HydrophobicContact CB-CG 4.08Å; D76-K79 PolarHBondContact O-N 3.41Å; D76-K79 IonicContact OD2-NZ 3.06Å; D76-K79 PolarHBondContact OD2-NZ 3.15Å
77V89.6Confident84.7Confident8 Ų853.5 Ų53.55%0.04832%0.318CS..THydrogen-bonded Turntrans-63.2-17.2-17875.30000114.1I15 I83 F97 L114 F118 H121I15-V77 HydrophobicContact CD1-CG2 4.33Å; I15-V77 HydrophobicContact CG2-CB 4.22Å; I15-V77 HydrophobicContact CG2-CG2 4.03Å; V77-I83 HydrophobicContact CB-CD1 4.24Å; V77-I83 HydrophobicContact CG2-CD1 3.78Å; V77-F97 HydrophobicContact CB-CE1 4.45Å; V77-F97 HydrophobicContact CG1-CE1 3.93Å; V77-F97 HydrophobicContact CG1-CZ 4.04Å; V77-F97 HydrophobicContact CG2-CE1 4.1Å; V77-L114 HydrophobicContact CG1-CD1 3.41Å; V77-L114 VanDerWaalsContact CG1-CD1 3.41Å; V77-F118 HydrophobicContact CG2-CB 3.79Å; V77-F118 HydrophobicContact CG2-CD2 3.71Å; V77-F118 HydrophobicContact CG2-CG 4.24Å; V77-H121 PolarHBondContact O-ND1 3.18Å
78T87Confident83.5Confident61 Ų6154.4 Ų54.437%0.37432%0.322SS..THydrogen-bonded Turntrans-87.6-3.6176.167.60000113.3D76 L114 D117D76-T78 PolarHBondContact O-N 2.93Å; D76-T78 VanDerWaalsContact O-N 3.12Å; D76-T78 WeakPolarHBondContact OD1-CB 2.95Å; D76-T78 PolarHBondContact OD1-N 2.86Å; D76-T78 PolarHBondContact OD1-OG1 2.88Å; T78-L114 HydrophobicContact CG2-CD1 3.96Å; T78-D117 HydrophobicContact CG2-CB 4.43Å
79K86.1Confident82.5Confident120 Ų12058 Ų5852%0.52232%0.318SS..  trans-115.2115.9-177-63-168.2-179.693.90112.2D76 D81 G82 I83D76-K79 HydrophobicContact CB-CB 4.31Å; D76-K79 HydrophobicContact CB-CD 4.2Å; D76-K79 HydrophobicContact CB-CG 4.08Å; D76-K79 PolarHBondContact O-N 3.41Å; D76-K79 IonicContact OD2-NZ 3.06Å; D76-K79 PolarHBondContact OD2-NZ 3.15Å; K79-D81 VanDerWaalsContact C-N 3.33Å; K79-D81 PolarHBondContact O-N 3.2Å; K79-G82 PolarHBondContact O-N 3.14Å; K79-I83 PolarHBondContact O-N 2.98Å
80T74.4Confident82.2Confident84 Ų8460.7 Ų60.752%0.51533%0.33SS..Hα-helixtrans-55.2-43.6-178.3-410000112.9G82 I83 A84 H121T80-G82 VanDerWaalsContact C-N 3.31Å; T80-G82 PolarHBondContact O-N 3.02Å; T80-I83 PolarHBondContact O-N 3.14Å; T80-A84 VanDerWaalsContact O-CB 3.29Å; T80-A84 WeakPolarHBondContact O-CB 3.17Å; T80-A84 PolarHBondContact O-N 3.46Å; T80-H121 PolarHBondContact OG1-NE2 3.4Å
81D71.7Confident82.1Confident146 Ų14661.1 Ų61.178%0.78133%0.334SS*.Hα-helixtrans-59.1-40.1-177.8-56.1-30.6000113K79K79-D81 VanDerWaalsContact C-N 3.33Å; K79-D81 PolarHBondContact O-N 3.2Å
82G67.2Low82Confident34 Ų3460.4 Ų60.435%0.35133%0.33SS..Hα-helixtrans-74-35.8-177.900000112.8K79 T80K79-G82 PolarHBondContact O-N 3.14Å; T80-G82 VanDerWaalsContact C-N 3.31Å; T80-G82 PolarHBondContact O-N 3.02Å
83I73.4Confident82.1Confident2 Ų259.9 Ų59.91%0.0133%0.327CS..Hα-helixtrans-77.9-42.5175.9-77.4-175000112.2V77 K79 T80 A85 L86 H121 L125V77-I83 HydrophobicContact CB-CD1 4.24Å; V77-I83 HydrophobicContact CG2-CD1 3.78Å; K79-I83 PolarHBondContact O-N 2.98Å; T80-I83 PolarHBondContact O-N 3.14Å; I83-A85 PolarHBondContact O-N 3.01Å; I83-A85 VanDerWaalsContact O-N 3.11Å; I83-L86 HydrophobicContact CG1-CD1 4.4Å; I83-L86 VanDerWaalsContact O-CB 3.25Å; I83-L86 WeakPolarHBondContact O-CB 3.44Å; I83-L86 WeakPolarHBondContact O-CG 3.3Å; I83-L86 PolarHBondContact O-N 2.64Å; I83-H121 HydrophobicContact CB-CB 4.34Å; I83-H121 HydrophobicContact CD1-CB 3.54Å; I83-H121 HydrophobicContact CG2-CB 4.04Å; I83-H121 WeakPolarHBondContact CG2-O 3.34Å; I83-L125 HydrophobicContact CG2-CD1 3.64Å; I83-L125 HydrophobicContact CG2-CD2 3.72Å; I83-L125 HydrophobicContact CG2-CG 3.84Å
84A68.3Low82.1Confident38 Ų3858.4 Ų58.431%0.31432%0.321SS..Hα-helixtrans-57.1-34.2-174.500000112.3T80 L86 G87 Q88T80-A84 VanDerWaalsContact O-CB 3.29Å; T80-A84 WeakPolarHBondContact O-CB 3.17Å; T80-A84 PolarHBondContact O-N 3.46Å; A84-L86 VanDerWaalsContact C-N 3.26Å; A84-L86 PolarHBondContact O-N 3.09Å; A84-G87 PolarHBondContact O-N 3.45Å; A84-Q88 WeakPolarHBondContact O-CG 3.47Å; A84-Q88 PolarHBondContact O-N 2.62Å
85A73.1Confident82.2Confident48 Ų4853.4 Ų53.440%0.39729%0.294SS..Hα-helixtrans-61.7-27.4174.300000114.2I83I83-A85 PolarHBondContact O-N 3.01Å; I83-A85 VanDerWaalsContact O-N 3.11Å
86L78.8Confident82.5Confident17 Ų1753.1 Ų53.19%0.08929%0.293CS..Hα-helixtrans-70.8-36.8-179.6-54.3176.8000112.2L13 L72 V75 I83 A84 F92 L125L13-L86 HydrophobicContact CD1-CD1 4.26Å; L13-L86 HydrophobicContact CD2-CD1 3.96Å; L72-L86 HydrophobicContact CD1-CD2 3.41Å; L72-L86 VanDerWaalsContact CD1-CD2 3.41Å; V75-L86 HydrophobicContact CG1-CD1 4.17Å; I83-L86 HydrophobicContact CG1-CD1 4.4Å; I83-L86 VanDerWaalsContact O-CB 3.25Å; I83-L86 WeakPolarHBondContact O-CB 3.44Å; I83-L86 WeakPolarHBondContact O-CG 3.3Å; I83-L86 PolarHBondContact O-N 2.64Å; A84-L86 VanDerWaalsContact C-N 3.26Å; A84-L86 PolarHBondContact O-N 3.09Å; L86-F92 HydrophobicContact CB-CE2 4.26Å; L86-F92 WeakPolarHBondContact O-CE2 3.38Å; L86-L125 HydrophobicContact CB-CD2 4.17Å
87G70.5Confident82.7Confident15 Ų1552.8 Ų52.816%0.15529%0.29CS..Hα-helixtrans-85.4-16.1179.100000114.5A84 K89 E90A84-G87 PolarHBondContact O-N 3.45Å; G87-K89 VanDerWaalsContact C-N 3.3Å; G87-K89 PolarHBondContact O-N 2.9Å; G87-E90 PolarHBondContact O-N 2.91Å
88Q69.3Low83Confident157 Ų15753.4 Ų53.473%0.73429%0.293SS*.SBendtrans-63.6-28.1-175.6-85.3168.321.100114.8A84A84-Q88 WeakPolarHBondContact O-CG 3.47Å; A84-Q88 PolarHBondContact O-N 2.62Å
89K73.3Confident83.3Confident143 Ų14352.1 Ų52.162%0.62228%0.282SS*.SBendtrans-76.3-46176-61.3-179.4-171.1174.60111.4E70 G87E70-K89 VanDerWaalsContact CD-NZ 3.32Å; E70-K89 IonicContact OE1-NZ 2.67Å; E70-K89 PolarHBondContact OE1-NZ 3.12Å; E70-K89 IonicContact OE2-NZ 2.61Å; E70-K89 PolarHBondContact OE2-NZ 3.13Å; G87-K89 VanDerWaalsContact C-N 3.3Å; G87-K89 PolarHBondContact O-N 2.9Å
90E87.3Confident83.6Confident86 Ų8646.6 Ų46.640%0.40226%0.258SS..  trans-175.6150.8-160.6-168.3179.4175.800108.1R11 K38 G87R11-E90 VanDerWaalsContact CD-OE1 3.22Å; R11-E90 WeakPolarHBondContact CD-OE1 3.33Å; R11-E90 WeakPolarHBondContact CD-OE2 3.44Å; R11-E90 IonicContact CZ-OE2 3.21Å; R11-E90 IonicContact NE-OE2 2.7Å; R11-E90 PolarHBondContact NH1-O 2.88Å; K38-E90 IonicContact NZ-OE2 3.33Å; K38-E90 PolarHBondContact NZ-OE2 3.11Å; G87-E90 PolarHBondContact O-N 2.91Å
91L93.3Very high84.3Confident76 Ų7647.6 Ų47.640%0.39826%0.257SS..  trans-86.6166.4179.2-62.4171.9000112.4R11 P124 L125 T127R11-L91 VanDerWaalsContact NH1-C 3.28Å; R11-L91 PolarHBondContact NH1-O 3.09Å; L91-P124 WeakPolarHBondContact CD2-O 3.2Å; L91-L125 CarbonylContact C-O 3.55Å; L91-L125 WeakPolarHBondContact CA-O 3.49Å; L91-T127 HydrophobicContact CB-CG2 3.69Å
92F94.4Very high85Confident1 Ų140.8 Ų40.80%0.00422%0.221CC..EExtended strand (participates in β ladder)trans-111.5137.1-178.7-66.9-87.7000111.6R11 L13 V40 L86 F94 V95 L125 L126 T127R11-F92 HydrophobicContact CB-CD1 3.75Å; R11-F92 HydrophobicContact CB-CE1 4.39Å; R11-F92 HydrophobicContact CB-CG 4.42Å; R11-F92 VanDerWaalsContact CZ-CE1 3.47Å; L13-F92 HydrophobicContact CB-CD1 3.61Å; L13-F92 HydrophobicContact CB-CD2 4.31Å; L13-F92 HydrophobicContact CB-CE1 3.61Å; L13-F92 HydrophobicContact CB-CE2 4.31Å; L13-F92 HydrophobicContact CB-CG 3.96Å; L13-F92 HydrophobicContact CB-CZ 3.96Å; L13-F92 HydrophobicContact CD1-CE1 4.22Å; L13-F92 HydrophobicContact CD1-CZ 3.95Å; L13-F92 HydrophobicContact CD2-CD2 4.43Å; L13-F92 HydrophobicContact CD2-CE2 4.18Å; L13-F92 HydrophobicContact CD2-CZ 4.36Å; L13-F92 HydrophobicContact CG-CE1 4.41Å; L13-F92 HydrophobicContact CG-CZ 4.32Å; V40-F92 HydrophobicContact CB-CE1 4.09Å; V40-F92 HydrophobicContact CB-CZ 4.35Å; V40-F92 HydrophobicContact CG2-CE1 3.84Å; V40-F92 HydrophobicContact CG2-CZ 4.12Å; L86-F92 HydrophobicContact CB-CE2 4.26Å; L86-F92 WeakPolarHBondContact O-CE2 3.38Å; F92-F94 VanDerWaalsContact C-N 3.34Å; F92-V95 HydrophobicContact CB-CG2 4.23Å; F92-L125 HydrophobicContact CD2-CB 4.3Å; F92-L125 PolarHBondContact N-O 3.02Å; F92-L126 WeakPolarHBondContact O-CA 3.41Å; F92-T127 PolarHBondContact O-N 3.03Å
93N94.9Very high85.6Confident39 Ų3944.5 Ų44.521%0.20924%0.239CC..EExtended strand (participates in β ladder)trans-77.7-27.5170.1-55.781.7000111R11 G130 V131 F423R11-N93 PolarHBondContact N-OD1 3.06Å; R11-N93 PolarHBondContact O-N 3.24Å; N93-G130 WeakPolarHBondContact O-CA 3.46Å; N93-V131 PolarHBondContact O-N 2.91Å; N93-F423 HydrophobicContact CB-CE1 4.48Å; N93-F423 HydrophobicContact CB-CZ 4.13Å
94F95.3Very high86Confident8 Ų847.5 Ų47.54%0.03527%0.27CS..EExtended strand (participates in β ladder)trans-136.3133.4-177.4-58.7-76.8000111.9L9 R11 I12 L13 F92 V131 W216 F423 I427L9-F94 HydrophobicContact CB-CE2 3.99Å; L9-F94 WeakPolarHBondContact O-CE2 3.42Å; R11-F94 PolarHBondContact O-N 2.91Å; I12-F94 WeakPolarHBondContact CA-O 3.35Å; I12-F94 HydrophobicContact CB-CB 4.28Å; I12-F94 HydrophobicContact CD1-CD2 4.5Å; I12-F94 HydrophobicContact CG1-CB 4.03Å; I12-F94 HydrophobicContact CG1-CD2 3.75Å; I12-F94 HydrophobicContact CG1-CG 4.22Å; I12-F94 HydrophobicContact CG2-CB 4.1Å; L13-F94 PolarHBondContact N-O 2.67Å; F92-F94 VanDerWaalsContact C-N 3.34Å; F94-V131 WeakPolarHBondContact CA-O 3.43Å; F94-V131 HydrophobicContact CD1-CG2 3.41Å; F94-V131 VanDerWaalsContact CD1-CG2 3.41Å; F94-V131 HydrophobicContact CE1-CG2 3.47Å; F94-V131 VanDerWaalsContact CE1-CG2 3.47Å; F94-W216 HydrophobicContact CD1-CZ3 4.31Å; F94-F423 HydrophobicContact CE1-CE1 4.17Å; F94-F423 HydrophobicContact CE1-CZ 4.37Å; F94-F423 HydrophobicContact CE2-CE1 4.05Å; F94-F423 HydrophobicContact CE2-CE2 4.27Å; F94-F423 AromaticContact CE2-CZ 3.48Å; F94-F423 HydrophobicContact CE2-CZ 3.48Å; F94-F423 VanDerWaalsContact CE2-CZ 3.48Å; F94-F423 HydrophobicContact CZ-CD1 4.38Å; F94-F423 AromaticContact CZ-CE1 3.47Å; F94-F423 HydrophobicContact CZ-CE1 3.47Å; F94-F423 VanDerWaalsContact CZ-CE1 3.47Å; F94-F423 HydrophobicContact CZ-CE2 4.06Å; F94-F423 AromaticContact CZ-CZ 3.28Å; F94-F423 HydrophobicContact CZ-CZ 3.28Å; F94-I427 HydrophobicContact CE1-CD1 3.35Å; F94-I427 HydrophobicContact CE1-CG1 3.65Å; F94-I427 HydrophobicContact CZ-CD1 3.49Å; F94-I427 VanDerWaalsContact CZ-CD1 3.49Å; F94-I427 HydrophobicContact CZ-CG1 3.57Å
95V95.7Very high86.5Confident0 Ų054.9 Ų54.90%030%0.295CS..EExtended strand (participates in β ladder)trans-123.4122.9164.5-176.20000109.1L13 I15 F92 F118 L125 L126 V131 V132 A133L13-V95 HydrophobicContact CB-CG1 4.35Å; L13-V95 HydrophobicContact CB-CG2 4.18Å; L13-V95 HydrophobicContact CD2-CG1 4.12Å; L13-V95 HydrophobicContact CD2-CG2 4.32Å; L13-V95 HydrophobicContact CG-CG1 4.42Å; L13-V95 WeakPolarHBondContact O-CA 3.44Å; I15-V95 HydrophobicContact CD1-CG1 3.71Å; I15-V95 HydrophobicContact CG1-CG1 3.92Å; F92-V95 HydrophobicContact CB-CG2 4.23Å; V95-F118 HydrophobicContact CG1-CE2 3.98Å; V95-F118 HydrophobicContact CG1-CZ 4.4Å; V95-L125 HydrophobicContact CG2-CB 4.48Å; V95-L125 HydrophobicContact CG2-CD1 4.49Å; V95-L126 HydrophobicContact CB-CD2 4.46Å; V95-L126 HydrophobicContact CG2-CD2 3.72Å; V95-L126 HydrophobicContact CG2-CG 4.48Å; V95-V131 PolarHBondContact N-O 2.79Å; V95-V132 CarbonylContact O-C 3.51Å; V95-V132 WeakPolarHBondContact O-CA 3.45Å; V95-A133 PolarHBondContact O-N 3.44Å
96V97.1Very high86.8Confident10 Ų1059.1 Ų59.16%0.06131%0.311CS..EExtended strand (participates in β ladder)trans-117.4124.4-174.6-174.30000109.8I12 L13 I15 F22 A133I12-V96 HydrophobicContact CG2-CG2 4.29Å; L13-V96 PolarHBondContact O-N 3.28Å; I15-V96 PolarHBondContact N-O 2.81Å; F22-V96 HydrophobicContact CE1-CG1 4.17Å; F22-V96 HydrophobicContact CZ-CG1 4.24Å; V96-A133 CarbonylContact C-O 3.57Å; V96-A133 WeakPolarHBondContact CA-O 3.39Å; V96-A133 HydrophobicContact CG1-CB 4.36Å; V96-A133 HydrophobicContact CG2-CB 4.29Å
97F96.9Very high87.4Confident15 Ų1561.6 Ų61.67%0.06633%0.325CS..EExtended strand (participates in β ladder)trans-124.3102.1172.7-163.5-176.3000109.9I15 V77 P100 L114 F118 A133 V134 T135I15-F97 HydrophobicContact CB-CB 4.28Å; I15-F97 HydrophobicContact CB-CD2 4.15Å; I15-F97 HydrophobicContact CB-CG 4.18Å; I15-F97 HydrophobicContact CG2-CD1 4.28Å; I15-F97 HydrophobicContact CG2-CD2 3.92Å; I15-F97 HydrophobicContact CG2-CE1 4.31Å; I15-F97 HydrophobicContact CG2-CE2 3.94Å; I15-F97 HydrophobicContact CG2-CG 4.07Å; I15-F97 HydrophobicContact CG2-CZ 4.13Å; I15-F97 WeakPolarHBondContact O-CD2 3.34Å; V77-F97 HydrophobicContact CB-CE1 4.45Å; V77-F97 HydrophobicContact CG1-CE1 3.93Å; V77-F97 HydrophobicContact CG1-CZ 4.04Å; V77-F97 HydrophobicContact CG2-CE1 4.1Å; F97-P100 HydrophobicContact CD1-CB 3.92Å; F97-P100 HydrophobicContact CD1-CG 4.45Å; F97-P100 HydrophobicContact CD2-CB 4Å; F97-P100 HydrophobicContact CE1-CB 3.63Å; F97-P100 HydrophobicContact CE2-CB 3.72Å; F97-P100 HydrophobicContact CG-CB 4.12Å; F97-P100 HydrophobicContact CZ-CB 3.54Å; F97-L114 HydrophobicContact CE1-CD1 4.41Å; F97-L114 HydrophobicContact CE1-CG 4.48Å; F97-F118 HydrophobicContact CB-CD2 4.22Å; F97-F118 HydrophobicContact CB-CE1 4.3Å; F97-F118 HydrophobicContact CB-CE2 3.55Å; F97-F118 HydrophobicContact CB-CZ 3.57Å; F97-F118 HydrophobicContact CD1-CB 4.19Å; F97-F118 HydrophobicContact CD1-CD1 4.19Å; F97-F118 AromaticContact CD1-CD2 3.46Å; F97-F118 HydrophobicContact CD1-CD2 3.46Å; F97-F118 VanDerWaalsContact CD1-CD2 3.46Å; F97-F118 HydrophobicContact CD1-CE1 4.43Å; F97-F118 AromaticContact CD1-CE2 3.72Å; F97-F118 HydrophobicContact CD1-CE2 3.72Å; F97-F118 AromaticContact CD1-CG 3.68Å; F97-F118 HydrophobicContact CD1-CG 3.68Å; F97-F118 HydrophobicContact CD1-CZ 4.18Å; F97-F118 HydrophobicContact CE1-CB 4.27Å; F97-F118 HydrophobicContact CE1-CD2 4.15Å; F97-F118 HydrophobicContact CE1-CG 4.25Å; F97-F118 HydrophobicContact CG-CD2 4.24Å; F97-F118 HydrophobicContact CG-CE2 4.06Å; F97-F118 HydrophobicContact CG-CZ 4.41Å; F97-A133 PolarHBondContact N-O 3.39Å; F97-V134 WeakPolarHBondContact O-CA 3.49Å; F97-T135 PolarHBondContact O-N 3.02Å; F97-T135 VanDerWaalsContact O-N 3.11Å
98N94.9Very high88.4Confident22 Ų2263.2 Ų63.212%0.11833%0.331CS..EExtended strand (participates in β ladder)trans-94.8131.7-176.7-69.2-40.9000111.2F22 P100 T135F22-N98 WeakPolarHBondContact CD1-ND2 3.47Å; F22-N98 WeakPolarHBondContact CD2-ND2 3.49Å; F22-N98 VanDerWaalsContact CE1-ND2 3.31Å; F22-N98 WeakPolarHBondContact CE1-ND2 3.44Å; F22-N98 WeakPolarHBondContact CE2-ND2 3.22Å; F22-N98 WeakPolarHBondContact CZ-ND2 3.44Å; N98-P100 VanDerWaalsContact C-CD 3.46Å; N98-T135 VanDerWaalsContact OD1-CB 3.24Å; N98-T135 WeakPolarHBondContact OD1-CB 3.46Å; N98-T135 PolarHBondContact OD1-OG1 2.86Å
99F93.4Very high89.6Confident34 Ų3462 Ų6215%0.14932%0.323CS..SBendtrans49.446.6176.3-51.5-76000114.5H101 T135 L137 F184 Y194 F206 A212F99-H101 PolarHBondContact O-N 3.44Å; F99-T135 WeakPolarHBondContact CA-O 3.23Å; F99-T135 HydrophobicContact CD1-CG2 4.41Å; F99-T135 HydrophobicContact CE1-CG2 3.79Å; F99-T135 HydrophobicContact CE2-CG2 3.98Å; F99-T135 HydrophobicContact CZ-CG2 3.54Å; F99-T135 PolarHBondContact N-O 3.1Å; F99-L137 HydrophobicContact CD1-CD2 4.36Å; F99-L137 HydrophobicContact CE1-CD2 4.06Å; F99-F184 HydrophobicContact CE2-CD1 4.43Å; F99-F184 HydrophobicContact CE2-CE1 4.11Å; F99-F184 HydrophobicContact CE2-CE2 4.29Å; F99-F184 HydrophobicContact CE2-CZ 4.01Å; F99-F184 HydrophobicContact CZ-CD1 4.08Å; F99-F184 HydrophobicContact CZ-CE1 4.19Å; F99-F184 HydrophobicContact CZ-CG 4.28Å; F99-F184 HydrophobicContact CZ-CZ 4.46Å; F99-Y194 WeakPolarHBondContact CE2-OH 3.45Å; F99-F206 HydrophobicContact CB-CZ 4.32Å; F99-F206 HydrophobicContact CD1-CE2 4Å; F99-F206 AromaticContact CD1-CZ 3.62Å; F99-F206 HydrophobicContact CD1-CZ 3.62Å; F99-F206 AromaticContact CD2-CZ 3.92Å; F99-F206 HydrophobicContact CD2-CZ 3.92Å; F99-F206 AromaticContact CE1-CE2 3.96Å; F99-F206 HydrophobicContact CE1-CE2 3.96Å; F99-F206 AromaticContact CE1-CZ 3.84Å; F99-F206 HydrophobicContact CE1-CZ 3.84Å; F99-F206 HydrophobicContact CE2-CZ 4.15Å; F99-F206 HydrophobicContact CG-CE1 4.38Å; F99-F206 HydrophobicContact CG-CE2 4.49Å; F99-F206 AromaticContact CG-CZ 3.67Å; F99-F206 HydrophobicContact CG-CZ 3.67Å; F99-F206 HydrophobicContact CZ-CE2 4.42Å; F99-F206 HydrophobicContact CZ-CZ 4.1Å; F99-A212 HydrophobicContact CE1-CB 3.62Å; F99-A212 HydrophobicContact CZ-CB 3.84Å
100P93.1Very high90.6Very high3 Ų358.5 Ų58.52%0.01931%0.312CS..  trans-54.4140.6179.524.6-35.1000111.2F97 N98 L114 L115 V134 T135 L136 W165F97-P100 HydrophobicContact CD1-CB 3.92Å; F97-P100 HydrophobicContact CD1-CG 4.45Å; F97-P100 HydrophobicContact CD2-CB 4Å; F97-P100 HydrophobicContact CE1-CB 3.63Å; F97-P100 HydrophobicContact CE2-CB 3.72Å; F97-P100 HydrophobicContact CG-CB 4.12Å; F97-P100 HydrophobicContact CZ-CB 3.54Å; N98-P100 VanDerWaalsContact C-CD 3.46Å; P100-L114 HydrophobicContact CB-CD2 4.05Å; P100-L115 HydrophobicContact CG-CD2 4.03Å; P100-V134 HydrophobicContact CG-CG1 4.25Å; P100-T135 WeakPolarHBondContact CD-O 3.14Å; P100-L136 HydrophobicContact CG-CD2 3.83Å; P100-W165 HydrophobicContact CG-CZ3 4.41Å; P100-W165 WeakPolarHBondContact O-CH2 3.31Å; P100-W165 WeakPolarHBondContact O-CZ3 3.22Å
101H88.1Confident91Very high106 Ų10654.4 Ų54.449%0.49129%0.292SS..  trans-139.9117.8-177.1-166.7-68.3000111.3F99F99-H101 PolarHBondContact O-N 3.44Å
102P87.1Confident91.1Very high3 Ų352.9 Ų52.92%0.01928%0.281CS..  trans-68.3151.8175.830.4-36000111G104 L110 A111 L114P102-G104 PolarHBondContact O-N 3.42Å; P102-L110 HydrophobicContact CB-CB 3.74Å; P102-L110 HydrophobicContact CG-CB 4.2Å; P102-A111 HydrophobicContact CG-CB 4.09Å; P102-L114 HydrophobicContact CB-CD2 4.31Å
103P79.2Confident91.2Very high111 Ų11156.7 Ų56.772%0.72130%0.301SS*.SBendtrans-63.9137.7-178.825.1-34000112.4
104G81.3Confident91.2Very high65 Ų6555.6 Ų55.667%0.6730%0.295SS*.SBendtrans98.3-145.9176.300000114.4P102P102-G104 PolarHBondContact O-N 3.42Å
105K78.4Confident91.3Very high193 Ų19355.2 Ų55.284%0.83929%0.293SS*.SBendtrans-82.5152.6177.3-66-178.2179.1179.90110.7N107K105-N107 PolarHBondContact O-N 3.22Å
106N80.5Confident91.3Very high138 Ų13857 Ų5774%0.73831%0.305SS*.  trans-43.9111.7175.5-64.610.3000111.8
107N90.4Very high91.2Very high69 Ų6958.8 Ų58.837%0.36931%0.314SS..  trans-137.6110.2-179-177.8-26.2000109.4K105 K109 L110 A111K105-N107 PolarHBondContact O-N 3.22Å; N107-K109 PolarHBondContact O-N 3.43Å; N107-K109 WeakPolarHBondContact OD1-CB 3.34Å; N107-K109 PolarHBondContact OD1-N 2.88Å; N107-L110 HydrophobicContact CB-CB 4.17Å; N107-L110 HydrophobicContact CB-CD1 4.03Å; N107-L110 HydrophobicContact CB-CG 4.09Å; N107-L110 PolarHBondContact O-N 3.32Å; N107-L110 VanDerWaalsContact O-N 3.13Å; N107-L110 PolarHBondContact OD1-N 3.23Å; N107-A111 PolarHBondContact O-N 2.79Å
108V93.1Very high91.1Very high49 Ų4958 Ų5830%0.29731%0.311SS..Hα-helixtrans-59.9-32.1-176179.80000112.4R112 D163 S164V108-R112 WeakPolarHBondContact O-CB 3.36Å; V108-R112 WeakPolarHBondContact O-CG 3.38Å; V108-R112 PolarHBondContact O-N 2.74Å; V108-D163 WeakPolarHBondContact CG1-O 3.41Å; V108-D163 WeakPolarHBondContact CG2-O 3.15Å; V108-S164 WeakPolarHBondContact CG1-O 3.32Å
109K93.9Very high91.2Very high130 Ų13057 Ų5757%0.56531%0.305SS*.Hα-helixtrans-70.1-44.6176.2-177175.1177.41750111.4N107 A111 R112 L113N107-K109 PolarHBondContact O-N 3.43Å; N107-K109 WeakPolarHBondContact OD1-CB 3.34Å; N107-K109 PolarHBondContact OD1-N 2.88Å; K109-A111 VanDerWaalsContact C-N 3.35Å; K109-R112 PolarHBondContact O-N 3.48Å; K109-L113 HydrophobicContact CG-CD1 4.34Å; K109-L113 WeakPolarHBondContact O-CG 3.33Å; K109-L113 PolarHBondContact O-N 3.45Å; K109-L113 VanDerWaalsContact O-N 3.09Å
110L94Very high91.2Very high71 Ų7160 Ų6037%0.37232%0.322SS..Hα-helixtrans-68.6-35.6177.7-62.8-179.8000111.8P102 N107 L113 L114P102-L110 HydrophobicContact CB-CB 3.74Å; P102-L110 HydrophobicContact CG-CB 4.2Å; N107-L110 HydrophobicContact CB-CB 4.17Å; N107-L110 HydrophobicContact CB-CD1 4.03Å; N107-L110 HydrophobicContact CB-CG 4.09Å; N107-L110 PolarHBondContact O-N 3.32Å; N107-L110 VanDerWaalsContact O-N 3.13Å; N107-L110 PolarHBondContact OD1-N 3.23Å; L110-L113 HydrophobicContact CD2-CD1 4.46Å; L110-L113 PolarHBondContact O-N 3.02Å; L110-L114 WeakPolarHBondContact O-CB 3.23Å; L110-L114 PolarHBondContact O-N 2.84Å
111A95.2Very high91.1Very high0 Ų060.7 Ų60.70%033%0.325CS..Hα-helixtrans-66.4-41.1175.900000112.8P102 N107 K109 L114 L115 W165P102-A111 HydrophobicContact CG-CB 4.09Å; N107-A111 PolarHBondContact O-N 2.79Å; K109-A111 VanDerWaalsContact C-N 3.35Å; A111-L114 PolarHBondContact O-N 3.02Å; A111-L115 WeakPolarHBondContact O-CG 3.33Å; A111-L115 PolarHBondContact O-N 2.82Å; A111-W165 HydrophobicContact CB-CD2 3.38Å; A111-W165 HydrophobicContact CB-CE3 3.7Å; A111-W165 HydrophobicContact CB-CG 3.8Å; A111-W165 HydrophobicContact CB-CH2 3.91Å; A111-W165 HydrophobicContact CB-CZ2 3.64Å; A111-W165 HydrophobicContact CB-CZ3 3.93Å
112R96.4Very high91.3Very high44 Ų4455.6 Ų55.617%0.16630%0.301CS..Hα-helixtrans-61.6-45.9172.7-78.3170.2-172.7175.56.5111.9V108 K109 L115 T116 K162 S164 W165V108-R112 WeakPolarHBondContact O-CB 3.36Å; V108-R112 WeakPolarHBondContact O-CG 3.38Å; V108-R112 PolarHBondContact O-N 2.74Å; K109-R112 PolarHBondContact O-N 3.48Å; R112-L115 PolarHBondContact O-N 3.34Å; R112-T116 WeakPolarHBondContact O-CB 3.16Å; R112-T116 PolarHBondContact O-N 2.95Å; R112-T116 PolarHBondContact O-OG1 2.94Å; R112-K162 PolarHBondContact NH2-O 2.93Å; R112-S164 PolarHBondContact NE-O 3.41Å; R112-S164 PolarHBondContact NH2-O 3.48Å; R112-W165 WeakPolarHBondContact CG-O 3.31Å
113L95.5Very high91.4Very high80 Ų8057.4 Ų57.442%0.41931%0.314SS..Hα-helixtrans-58.5-50.6175.5-70.6167.9000111K109 L110 L115 T116 D117K109-L113 HydrophobicContact CG-CD1 4.34Å; K109-L113 WeakPolarHBondContact O-CG 3.33Å; K109-L113 PolarHBondContact O-N 3.45Å; K109-L113 VanDerWaalsContact O-N 3.09Å; L110-L113 HydrophobicContact CD2-CD1 4.46Å; L110-L113 PolarHBondContact O-N 3.02Å; L113-L115 VanDerWaalsContact C-N 3.27Å; L113-L115 PolarHBondContact O-N 2.96Å; L113-T116 PolarHBondContact O-N 3.15Å; L113-D117 WeakPolarHBondContact O-CB 3.39Å; L113-D117 PolarHBondContact O-N 3.47Å
114L95.6Very high91.9Very high16 Ų1656.1 Ų56.18%0.08431%0.305CS..Hα-helixtrans-53.8-40.8176.7178.763.7000113.2V77 T78 F97 P100 P102 L110 A111 F118V77-L114 HydrophobicContact CG1-CD1 3.41Å; V77-L114 VanDerWaalsContact CG1-CD1 3.41Å; T78-L114 HydrophobicContact CG2-CD1 3.96Å; F97-L114 HydrophobicContact CE1-CD1 4.41Å; F97-L114 HydrophobicContact CE1-CG 4.48Å; P100-L114 HydrophobicContact CB-CD2 4.05Å; P102-L114 HydrophobicContact CB-CD2 4.31Å; L110-L114 WeakPolarHBondContact O-CB 3.23Å; L110-L114 PolarHBondContact O-N 2.84Å; A111-L114 PolarHBondContact O-N 3.02Å; L114-F118 VanDerWaalsContact O-CB 3.22Å; L114-F118 WeakPolarHBondContact O-CB 3.46Å; L114-F118 PolarHBondContact O-N 3.17Å; L114-F118 VanDerWaalsContact O-N 3.1Å
115L97Very high92.3Very high0 Ų053 Ų530%027%0.273CS..Hα-helixtrans-71.6-42.6176.2-69.3175.9000112.3P100 A111 R112 L113 F118 F119 V134 L136 W165 P167 C170P100-L115 HydrophobicContact CG-CD2 4.03Å; A111-L115 WeakPolarHBondContact O-CG 3.33Å; A111-L115 PolarHBondContact O-N 2.82Å; R112-L115 PolarHBondContact O-N 3.34Å; L113-L115 VanDerWaalsContact C-N 3.27Å; L113-L115 PolarHBondContact O-N 2.96Å; L115-F118 PolarHBondContact O-N 2.98Å; L115-F119 WeakPolarHBondContact O-CD2 3.38Å; L115-F119 PolarHBondContact O-N 2.92Å; L115-V134 HydrophobicContact CD2-CG1 3.98Å; L115-L136 HydrophobicContact CD1-CD1 4.43Å; L115-W165 HydrophobicContact CD1-CB 4.16Å; L115-W165 HydrophobicContact CD1-CE3 4.28Å; L115-P167 HydrophobicContact CD1-CB 4.08Å; L115-C170 HydrophobicContact CB-CB 3.93Å
116T96.4Very high93Very high39 Ų3944.3 Ų44.324%0.23924%0.236CC..Hα-helixtrans-61.6-48.7175.5-69.60000111.4R112 L113 F118 F119 L120 C174R112-T116 WeakPolarHBondContact O-CB 3.16Å; R112-T116 PolarHBondContact O-N 2.95Å; R112-T116 PolarHBondContact O-OG1 2.94Å; L113-T116 PolarHBondContact O-N 3.15Å; T116-F118 VanDerWaalsContact C-N 3.31Å; T116-F118 PolarHBondContact O-N 3.15Å; T116-F119 PolarHBondContact O-N 2.85Å; T116-L120 VanDerWaalsContact O-CB 3.31Å; T116-L120 WeakPolarHBondContact O-CB 3.4Å; T116-L120 PolarHBondContact O-N 3.23Å; T116-C174 PolarHBondContact O-SG 2.8Å; T116-C174 VanDerWaalsContact O-SG 3.33Å
117D94.3Very high93.6Very high46 Ų4639.4 Ų39.425%0.24621%0.211CC..Hα-helixtrans-60.4-42178.1-59.8-25.3000110.7T78 L113 H121T78-D117 HydrophobicContact CG2-CB 4.43Å; L113-D117 WeakPolarHBondContact O-CB 3.39Å; L113-D117 PolarHBondContact O-N 3.47Å; D117-H121 WeakPolarHBondContact O-CB 3.31Å; D117-H121 VanDerWaalsContact O-CG 3.27Å; D117-H121 PolarHBondContact O-N 2.92Å; D117-H121 PolarHBondContact O-ND1 3.1Å; D117-H121 VanDerWaalsContact O-ND1 3.13Å
118F95.3Very high93.6Very high0 Ų042.4 Ų42.40%023%0.232CC..Hα-helixtrans-60.5-51.9173.8161.9-103.6000112.9I15 V77 V95 F97 L114 L115 T116 L120 H121 C122 V132 V134I15-F118 HydrophobicContact CD1-CD2 4.16Å; I15-F118 HydrophobicContact CD1-CE2 3.96Å; V77-F118 HydrophobicContact CG2-CB 3.79Å; V77-F118 HydrophobicContact CG2-CD2 3.71Å; V77-F118 HydrophobicContact CG2-CG 4.24Å; V95-F118 HydrophobicContact CG1-CE2 3.98Å; V95-F118 HydrophobicContact CG1-CZ 4.4Å; F97-F118 HydrophobicContact CB-CD2 4.22Å; F97-F118 HydrophobicContact CB-CE1 4.3Å; F97-F118 HydrophobicContact CB-CE2 3.55Å; F97-F118 HydrophobicContact CB-CZ 3.57Å; F97-F118 HydrophobicContact CD1-CB 4.19Å; F97-F118 HydrophobicContact CD1-CD1 4.19Å; F97-F118 AromaticContact CD1-CD2 3.46Å; F97-F118 HydrophobicContact CD1-CD2 3.46Å; F97-F118 VanDerWaalsContact CD1-CD2 3.46Å; F97-F118 HydrophobicContact CD1-CE1 4.43Å; F97-F118 AromaticContact CD1-CE2 3.72Å; F97-F118 HydrophobicContact CD1-CE2 3.72Å; F97-F118 AromaticContact CD1-CG 3.68Å; F97-F118 HydrophobicContact CD1-CG 3.68Å; F97-F118 HydrophobicContact CD1-CZ 4.18Å; F97-F118 HydrophobicContact CE1-CB 4.27Å; F97-F118 HydrophobicContact CE1-CD2 4.15Å; F97-F118 HydrophobicContact CE1-CG 4.25Å; F97-F118 HydrophobicContact CG-CD2 4.24Å; F97-F118 HydrophobicContact CG-CE2 4.06Å; F97-F118 HydrophobicContact CG-CZ 4.41Å; L114-F118 VanDerWaalsContact O-CB 3.22Å; L114-F118 WeakPolarHBondContact O-CB 3.46Å; L114-F118 PolarHBondContact O-N 3.17Å; L114-F118 VanDerWaalsContact O-N 3.1Å; L115-F118 PolarHBondContact O-N 2.98Å; T116-F118 VanDerWaalsContact C-N 3.31Å; T116-F118 PolarHBondContact O-N 3.15Å; F118-L120 VanDerWaalsContact C-N 3.34Å; F118-L120 PolarHBondContact O-N 3.24Å; F118-H121 PolarHBondContact O-N 2.75Å; F118-C122 WeakPolarHBondContact CE2-SG 3.24Å; F118-C122 WeakPolarHBondContact O-CB 3.22Å; F118-C122 PolarHBondContact O-N 3.06Å; F118-C122 PolarHBondContact O-SG 2.87Å; F118-V132 HydrophobicContact CE1-CG1 3.39Å; F118-V132 HydrophobicContact CE2-CG1 4.45Å; F118-V132 HydrophobicContact CZ-CG1 3.3Å; F118-V134 HydrophobicContact CD1-CG2 4.28Å; F118-V134 HydrophobicContact CE1-CG2 3.4Å; F118-V134 VanDerWaalsContact CE1-CG2 3.4Å; F118-V134 HydrophobicContact CZ-CG2 4.05Å
119F96.1Very high93.5Very high0 Ų044.8 Ų44.80%024%0.243CC..Hα-helixtrans-62.7-42.7179.1-74.3-65.4000111.3L115 T116 H121 C122 C123 V132 V134 C170 A171 C174 F176 F217L115-F119 WeakPolarHBondContact O-CD2 3.38Å; L115-F119 PolarHBondContact O-N 2.92Å; T116-F119 PolarHBondContact O-N 2.85Å; F119-H121 PolarHBondContact O-N 3.14Å; F119-C122 WeakPolarHBondContact O-CB 3.05Å; F119-C122 PolarHBondContact O-N 2.85Å; F119-C123 PolarHBondContact O-N 3.16Å; F119-V132 HydrophobicContact CD1-CG1 4.17Å; F119-V132 HydrophobicContact CE1-CB 4.35Å; F119-V132 HydrophobicContact CE1-CG1 3.78Å; F119-V134 HydrophobicContact CE1-CG2 4.17Å; F119-V134 HydrophobicContact CZ-CG2 3.73Å; F119-C170 HydrophobicContact CD2-CB 4.28Å; F119-C170 HydrophobicContact CE2-CB 4.39Å; F119-A171 HydrophobicContact CD1-CB 4.27Å; F119-A171 HydrophobicContact CD2-CB 4.02Å; F119-A171 HydrophobicContact CE1-CB 3.98Å; F119-A171 HydrophobicContact CE2-CB 3.72Å; F119-A171 HydrophobicContact CG-CB 4.32Å; F119-A171 HydrophobicContact CZ-CB 3.7Å; F119-C174 HydrophobicContact CB-CB 3.59Å; F119-F176 HydrophobicContact CB-CD2 4.02Å; F119-F176 HydrophobicContact CB-CE2 4.18Å; F119-F176 HydrophobicContact CD1-CB 4.44Å; F119-F176 HydrophobicContact CD1-CD1 4.48Å; F119-F176 AromaticContact CD1-CD2 3.94Å; F119-F176 HydrophobicContact CD1-CD2 3.94Å; F119-F176 HydrophobicContact CD1-CE2 4.3Å; F119-F176 HydrophobicContact CD1-CG 4.04Å; F119-F176 HydrophobicContact CG-CD2 4.35Å; F119-F176 VanDerWaalsContact O-CE2 3.24Å; F119-F176 WeakPolarHBondContact O-CE2 3.41Å; F119-F217 HydrophobicContact CE1-CB 4.3Å; F119-F217 HydrophobicContact CE1-CD1 4.46Å; F119-F217 AromaticContact CE1-CD2 3.69Å; F119-F217 HydrophobicContact CE1-CD2 3.69Å; F119-F217 HydrophobicContact CE1-CE2 4.06Å; F119-F217 AromaticContact CE1-CG 3.91Å; F119-F217 HydrophobicContact CE1-CG 3.91Å; F119-F217 HydrophobicContact CZ-CD1 4.44Å; F119-F217 AromaticContact CZ-CD2 3.74Å; F119-F217 HydrophobicContact CZ-CD2 3.74Å; F119-F217 HydrophobicContact CZ-CE1 4.31Å; F119-F217 AromaticContact CZ-CE2 3.59Å; F119-F217 HydrophobicContact CZ-CE2 3.59Å; F119-F217 HydrophobicContact CZ-CG 4.17Å; F119-F217 AromaticContact CZ-CZ 3.89Å; F119-F217 HydrophobicContact CZ-CZ 3.89Å
120L93.9Very high93.5Very high96 Ų9638.6 Ų38.650%0.50322%0.216SC..Hα-helixtrans-58.1-45.3176.3-179.663.6000112.2T116 F118 C123T116-L120 VanDerWaalsContact O-CB 3.31Å; T116-L120 WeakPolarHBondContact O-CB 3.4Å; T116-L120 PolarHBondContact O-N 3.23Å; F118-L120 VanDerWaalsContact C-N 3.34Å; F118-L120 PolarHBondContact O-N 3.24Å; L120-C123 WeakPolarHBondContact O-CB 3.16Å; L120-C123 PolarHBondContact O-N 3.34Å
121H91.9Very high93.6Very high18 Ų1835.5 Ų35.58%0.08320%0.2CC..Hα-helixtrans-77.9-17.4178.9-66.4142.9000113.9V77 T80 I83 D117 F118 F119 C123 P124 L125V77-H121 PolarHBondContact O-ND1 3.18Å; T80-H121 PolarHBondContact OG1-NE2 3.4Å; I83-H121 HydrophobicContact CB-CB 4.34Å; I83-H121 HydrophobicContact CD1-CB 3.54Å; I83-H121 HydrophobicContact CG2-CB 4.04Å; I83-H121 WeakPolarHBondContact CG2-O 3.34Å; D117-H121 WeakPolarHBondContact O-CB 3.31Å; D117-H121 VanDerWaalsContact O-CG 3.27Å; D117-H121 PolarHBondContact O-N 2.92Å; D117-H121 PolarHBondContact O-ND1 3.1Å; D117-H121 VanDerWaalsContact O-ND1 3.13Å; F118-H121 PolarHBondContact O-N 2.75Å; F119-H121 PolarHBondContact O-N 3.14Å; H121-C123 VanDerWaalsContact C-N 3.34Å; H121-P124 WeakPolarHBondContact O-CD 3.31Å; H121-L125 WeakPolarHBondContact O-CG 3.42Å
122C92.4Very high93.7Very high0 Ų035.5 Ų35.50%020%0.2CC..Hα-helixtrans-69.9-27.6169.7-78.30000113.1F118 F119 L125 L126 V132 F176F118-C122 WeakPolarHBondContact CE2-SG 3.24Å; F118-C122 WeakPolarHBondContact O-CB 3.22Å; F118-C122 PolarHBondContact O-N 3.06Å; F118-C122 PolarHBondContact O-SG 2.87Å; F119-C122 WeakPolarHBondContact O-CB 3.05Å; F119-C122 PolarHBondContact O-N 2.85Å; C122-L125 WeakPolarHBondContact O-CB 3.39Å; C122-L125 PolarHBondContact O-N 3.04Å; C122-L126 HydrophobicContact CB-CD1 4.39Å; C122-L126 WeakPolarHBondContact O-CG 3.24Å; C122-V132 HydrophobicContact CB-CG2 4.07Å; C122-F176 HydrophobicContact CB-CZ 4.1Å
123C88.8Confident93.7Very high41 Ų4133.4 Ų33.428%0.27719%0.193SC..G310 helixtrans-50.6-50.7-177.1-750000115.2F119 L120 H121 L125 C174 F176 Q219F119-C123 PolarHBondContact O-N 3.16Å; L120-C123 WeakPolarHBondContact O-CB 3.16Å; L120-C123 PolarHBondContact O-N 3.34Å; H121-C123 VanDerWaalsContact C-N 3.34Å; C123-L125 VanDerWaalsContact C-N 3.27Å; C123-L125 PolarHBondContact O-N 2.84Å; C123-C174 PolarHBondContact SG-O 3.31Å; C123-F176 VanDerWaalsContact SG-CE2 3.5Å; C123-Q219 PolarHBondContact O-NE2 3.13Å; C123-Q219 VanDerWaalsContact O-NE2 3.15Å
124P89.3Confident93.8Very high83 Ų8329.6 Ų29.654%0.53917%0.173SC..G310 helixtrans-80.33.317833.4-39.1000114.8L91 H121L91-P124 WeakPolarHBondContact CD2-O 3.2Å; H121-P124 WeakPolarHBondContact O-CD 3.31Å
125L90.8Very high93.9Very high1 Ų128.9 Ų28.91%0.00517%0.169CC..G310 helixtrans-96.7-22.6178.9-60.1-178.3000113.5L13 I83 L86 L91 F92 V95 H121 C122 C123L13-L125 HydrophobicContact CD2-CD1 3.76Å; I83-L125 HydrophobicContact CG2-CD1 3.64Å; I83-L125 HydrophobicContact CG2-CD2 3.72Å; I83-L125 HydrophobicContact CG2-CG 3.84Å; L86-L125 HydrophobicContact CB-CD2 4.17Å; L91-L125 CarbonylContact C-O 3.55Å; L91-L125 WeakPolarHBondContact CA-O 3.49Å; F92-L125 HydrophobicContact CD2-CB 4.3Å; F92-L125 PolarHBondContact N-O 3.02Å; V95-L125 HydrophobicContact CG2-CB 4.48Å; V95-L125 HydrophobicContact CG2-CD1 4.49Å; H121-L125 WeakPolarHBondContact O-CG 3.42Å; C122-L125 WeakPolarHBondContact O-CB 3.39Å; C122-L125 PolarHBondContact O-N 3.04Å; C123-L125 VanDerWaalsContact C-N 3.27Å; C123-L125 PolarHBondContact O-N 2.84Å
126L92.8Very high93.7Very high9 Ų928.9 Ų28.95%0.04717%0.169CC..EExtended strand (participates in β ladder)trans-91148-166.4-67164.6000112F92 V95 C122 V132 F176 Q219F92-L126 WeakPolarHBondContact O-CA 3.41Å; V95-L126 HydrophobicContact CB-CD2 4.46Å; V95-L126 HydrophobicContact CG2-CD2 3.72Å; V95-L126 HydrophobicContact CG2-CG 4.48Å; C122-L126 HydrophobicContact CB-CD1 4.39Å; C122-L126 WeakPolarHBondContact O-CG 3.24Å; L126-V132 HydrophobicContact CD1-CG2 3.66Å; L126-V132 HydrophobicContact CD2-CG2 4.23Å; L126-F176 HydrophobicContact CD1-CE1 3.58Å; L126-F176 HydrophobicContact CD1-CZ 3.62Å; L126-Q219 HydrophobicContact CD1-CG 4.01Å
127T93.4Very high93.4Very high35 Ų3528.4 Ų28.422%0.21517%0.165CC..EExtended strand (participates in β ladder)trans-69.1165.6157.556.70000110.3L91 F92 D129 G130L91-T127 HydrophobicContact CB-CG2 3.69Å; F92-T127 PolarHBondContact O-N 3.03Å; T127-D129 VanDerWaalsContact C-N 3.27Å; T127-D129 PolarHBondContact O-N 3.28Å; T127-G130 WeakPolarHBondContact O-CA 3.39Å; T127-G130 PolarHBondContact O-N 2.93Å; T127-G130 PolarHBondContact OG1-N 3.33Å
128T90.1Very high93.1Very high132 Ų13227 Ų2781%0.8116%0.157SC*.EExtended strand (participates in β ladder)trans-57-36.6-177.5-42.40000113.8
129D90.7Very high92.7Very high99 Ų9932.5 Ų32.553%0.52919%0.186SC..EExtended strand (participates in β ladder)trans-94.411.5173.3-69.4-71.5000113T127 L420T127-D129 VanDerWaalsContact C-N 3.27Å; T127-D129 PolarHBondContact O-N 3.28Å; D129-L420 HydrophobicContact CB-CD1 4.49Å
130G93.7Very high92.5Very high1 Ų133.6 Ų33.61%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-68.7141.8-176.300000112.6N93 T127N93-G130 WeakPolarHBondContact O-CA 3.46Å; T127-G130 WeakPolarHBondContact O-CA 3.39Å; T127-G130 PolarHBondContact O-N 2.93Å; T127-G130 PolarHBondContact OG1-N 3.33Å
131V96.2Very high92.3Very high5 Ų529 Ų293%0.0317%0.168CC..EExtended strand (participates in β ladder)trans-124.7147.7-175.3-58.50000113.2N93 F94 V95 F179 W216 F217 R218N93-V131 PolarHBondContact O-N 2.91Å; F94-V131 WeakPolarHBondContact CA-O 3.43Å; F94-V131 HydrophobicContact CD1-CG2 3.41Å; F94-V131 VanDerWaalsContact CD1-CG2 3.41Å; F94-V131 HydrophobicContact CE1-CG2 3.47Å; F94-V131 VanDerWaalsContact CE1-CG2 3.47Å; V95-V131 PolarHBondContact N-O 2.79Å; V131-F179 HydrophobicContact CB-CE1 3.89Å; V131-F179 HydrophobicContact CB-CZ 4.11Å; V131-F179 HydrophobicContact CG1-CE1 3.59Å; V131-F179 HydrophobicContact CG1-CZ 3.75Å; V131-F179 HydrophobicContact CG2-CZ 4.47Å; V131-W216 HydrophobicContact CG2-CE3 4.12Å; V131-W216 HydrophobicContact CG2-CZ3 4.19Å; V131-F217 CarbonylContact C-O 3.57Å; V131-F217 WeakPolarHBondContact CA-O 3.38Å; V131-F217 WeakPolarHBondContact CB-O 3.23Å; V131-R218 HydrophobicContact CG1-CB 4.33Å
132V97.1Very high92.3Very high0 Ų028.2 Ų28.20%016%0.164CC..EExtended strand (participates in β ladder)trans-110.5127.7-179.1-178.60000109.3V95 F118 F119 C122 L126 V134 F176 W216 F217V95-V132 CarbonylContact O-C 3.51Å; V95-V132 WeakPolarHBondContact O-CA 3.45Å; F118-V132 HydrophobicContact CE1-CG1 3.39Å; F118-V132 HydrophobicContact CE2-CG1 4.45Å; F118-V132 HydrophobicContact CZ-CG1 3.3Å; F119-V132 HydrophobicContact CD1-CG1 4.17Å; F119-V132 HydrophobicContact CE1-CB 4.35Å; F119-V132 HydrophobicContact CE1-CG1 3.78Å; C122-V132 HydrophobicContact CB-CG2 4.07Å; L126-V132 HydrophobicContact CD1-CG2 3.66Å; L126-V132 HydrophobicContact CD2-CG2 4.23Å; V132-V134 HydrophobicContact CG1-CG2 4.29Å; V132-F176 HydrophobicContact CB-CE1 4.33Å; V132-F176 HydrophobicContact CG2-CD1 4.21Å; V132-F176 HydrophobicContact CG2-CE1 3.48Å; V132-F176 VanDerWaalsContact CG2-CE1 3.48Å; V132-F176 HydrophobicContact CG2-CZ 3.97Å; V132-W216 WeakPolarHBondContact O-CA 3.32Å; V132-F217 HydrophobicContact CB-CB 4.41Å; V132-F217 PolarHBondContact N-O 3.29Å; V132-F217 PolarHBondContact O-N 3.41Å
133A97.5Very high91.8Very high1 Ų128.4 Ų28.41%0.00817%0.165CC..EExtended strand (participates in β ladder)trans-111.3125.8175.100000110.4V95 V96 F97 T214 L215 W216V95-A133 PolarHBondContact O-N 3.44Å; V96-A133 CarbonylContact C-O 3.57Å; V96-A133 WeakPolarHBondContact CA-O 3.39Å; V96-A133 HydrophobicContact CG1-CB 4.36Å; V96-A133 HydrophobicContact CG2-CB 4.29Å; F97-A133 PolarHBondContact N-O 3.39Å; A133-T214 HydrophobicContact CB-CG2 4.02Å; A133-L215 WeakPolarHBondContact CA-O 3.42Å; A133-W216 HydrophobicContact CB-CD2 4.08Å; A133-W216 HydrophobicContact CB-CE3 3.92Å; A133-W216 HydrophobicContact CB-CH2 4.03Å; A133-W216 HydrophobicContact CB-CZ2 4.2Å; A133-W216 HydrophobicContact CB-CZ3 3.9Å
134V97.5Very high90.9Very high0 Ų030 Ų300%017%0.168CC..EExtended strand (participates in β ladder)trans-120.7122.5174.1-172.70000109.5F97 P100 L115 F118 F119 V132 L136 T214 L215 F217F97-V134 WeakPolarHBondContact O-CA 3.49Å; P100-V134 HydrophobicContact CG-CG1 4.25Å; L115-V134 HydrophobicContact CD2-CG1 3.98Å; F118-V134 HydrophobicContact CD1-CG2 4.28Å; F118-V134 HydrophobicContact CE1-CG2 3.4Å; F118-V134 VanDerWaalsContact CE1-CG2 3.4Å; F118-V134 HydrophobicContact CZ-CG2 4.05Å; F119-V134 HydrophobicContact CE1-CG2 4.17Å; F119-V134 HydrophobicContact CZ-CG2 3.73Å; V132-V134 HydrophobicContact CG1-CG2 4.29Å; V134-L136 HydrophobicContact CG1-CG 4.17Å; V134-T214 WeakPolarHBondContact O-CA 3.46Å; V134-L215 PolarHBondContact N-O 3.41Å; V134-L215 PolarHBondContact O-N 2.82Å; V134-F217 HydrophobicContact CB-CE2 4.3Å; V134-F217 HydrophobicContact CG2-CD2 4.47Å; V134-F217 HydrophobicContact CG2-CE2 4.11Å
135T95.8Very high89.6Confident0 Ų031.2 Ų31.20%017%0.167CC..EExtended strand (participates in β ladder)trans-101.1126174.5-56.80000110.6F97 N98 F99 P100 F184 A212 T213 T214F97-T135 PolarHBondContact O-N 3.02Å; F97-T135 VanDerWaalsContact O-N 3.11Å; N98-T135 VanDerWaalsContact OD1-CB 3.24Å; N98-T135 WeakPolarHBondContact OD1-CB 3.46Å; N98-T135 PolarHBondContact OD1-OG1 2.86Å; F99-T135 WeakPolarHBondContact CA-O 3.23Å; F99-T135 HydrophobicContact CD1-CG2 4.41Å; F99-T135 HydrophobicContact CE1-CG2 3.79Å; F99-T135 HydrophobicContact CE2-CG2 3.98Å; F99-T135 HydrophobicContact CZ-CG2 3.54Å; F99-T135 PolarHBondContact N-O 3.1Å; P100-T135 WeakPolarHBondContact CD-O 3.14Å; T135-F184 HydrophobicContact CG2-CB 3.86Å; T135-F184 HydrophobicContact CG2-CD2 3.47Å; T135-F184 VanDerWaalsContact CG2-CD2 3.47Å; T135-F184 HydrophobicContact CG2-CE2 4.17Å; T135-F184 HydrophobicContact CG2-CG 3.79Å; T135-A212 HydrophobicContact CG2-CB 4.11Å; T135-T213 WeakPolarHBondContact CA-O 3.4Å; T135-T214 PolarHBondContact OG1-OG1 3.41Å
136L93.6Very high88.3Confident0 Ų040.3 Ų40.30%021%0.206CC..EExtended strand (participates in β ladder)trans-130.9154.8177.3-70.7174.1000110.6P100 L115 V134 Q140 W165 P167 A212 T213P100-L136 HydrophobicContact CG-CD2 3.83Å; L115-L136 HydrophobicContact CD1-CD1 4.43Å; V134-L136 HydrophobicContact CG1-CG 4.17Å; L136-Q140 HydrophobicContact CB-CB 4.18Å; L136-Q140 HydrophobicContact CD1-CB 4.44Å; L136-Q140 HydrophobicContact CD2-CB 4.36Å; L136-W165 HydrophobicContact CD2-CE3 3.6Å; L136-W165 HydrophobicContact CD2-CZ3 3.78Å; L136-P167 HydrophobicContact CD1-CB 3.98Å; L136-P167 HydrophobicContact CD1-CG 3.8Å; L136-A212 CarbonylContact O-C 3.54Å; L136-A212 VanDerWaalsContact O-CA 3.26Å; L136-A212 WeakPolarHBondContact O-CA 3.32Å; L136-T213 PolarHBondContact N-O 2.96Å; L136-T213 PolarHBondContact O-N 3.04Å
137L91.2Very high86.7Confident29 Ų2941.8 Ų41.815%0.15221%0.213CC..EExtended strand (participates in β ladder)trans-63.9144.3164.4-57.7177.5000109.5F99 N139 Q140 F206 K208 R211 A212F99-L137 HydrophobicContact CD1-CD2 4.36Å; F99-L137 HydrophobicContact CE1-CD2 4.06Å; L137-N139 WeakPolarHBondContact CB-OD1 3.29Å; L137-N139 PolarHBondContact O-N 3.37Å; L137-Q140 HydrophobicContact CB-CG 4.27Å; L137-Q140 VanDerWaalsContact CB-OE1 3.26Å; L137-Q140 WeakPolarHBondContact O-CB 3.47Å; L137-Q140 PolarHBondContact O-N 2.86Å; L137-F206 HydrophobicContact CD2-CD2 4.39Å; L137-F206 HydrophobicContact CD2-CE2 4.01Å; L137-K208 HydrophobicContact CD1-CB 4.36Å; L137-K208 HydrophobicContact CD2-CB 3.93Å; L137-K208 WeakPolarHBondContact CD2-O 3.33Å; L137-R211 CarbonylContact C-O 3.6Å; L137-R211 WeakPolarHBondContact CA-O 3.4Å; L137-A212 HydrophobicContact CD2-CB 4.4Å
138N87.2Confident84.9Confident17 Ų1747.1 Ų47.19%0.09124%0.24CC..THydrogen-bonded Turntrans-61.8-22.7-171-62.9-20.1000113.5E145 R211 A212 T213N138-E145 PolarHBondContact ND2-OE1 2.87Å; N138-E145 PolarHBondContact ND2-OE2 2.7Å; N138-R211 VanDerWaalsContact CG-C 3.45Å; N138-R211 PolarHBondContact N-O 3.45Å; N138-R211 WeakPolarHBondContact ND2-CA 3.37Å; N138-R211 PolarHBondContact ND2-O 3.29Å; N138-R211 PolarHBondContact OD1-O 3.11Å; N138-A212 VanDerWaalsContact OD1-C 3.25Å; N138-T213 WeakPolarHBondContact OD1-CB 3.19Å; N138-T213 PolarHBondContact OD1-N 2.99Å; N138-T213 VanDerWaalsContact OD1-N 3.09Å; N138-T213 PolarHBondContact OD1-OG1 3.43Å
139N86.5Confident83.8Confident115 Ų11549.3 Ų49.362%0.61523%0.234SC*.THydrogen-bonded Turntrans-86-2.4174.475.7-59.8000114.7L137L137-N139 WeakPolarHBondContact CB-OD1 3.29Å; L137-N139 PolarHBondContact O-N 3.37Å
140Q91.4Very high82.8Confident23 Ų2348.4 Ų48.411%0.10722%0.223CC..THydrogen-bonded Turntrans-91.1-25.1169.9-64.4169.2-64.500111.3L136 L137 W165L136-Q140 HydrophobicContact CB-CB 4.18Å; L136-Q140 HydrophobicContact CD1-CB 4.44Å; L136-Q140 HydrophobicContact CD2-CB 4.36Å; L137-Q140 HydrophobicContact CB-CG 4.27Å; L137-Q140 VanDerWaalsContact CB-OE1 3.26Å; L137-Q140 WeakPolarHBondContact O-CB 3.47Å; L137-Q140 PolarHBondContact O-N 2.86Å; Q140-W165 HydrophobicContact CB-CB 4.48Å; Q140-W165 HydrophobicContact CB-CD2 3.93Å; Q140-W165 HydrophobicContact CB-CE3 4.4Å; Q140-W165 HydrophobicContact CB-CG 3.94Å; Q140-W165 HydrophobicContact CG-CD2 4.07Å; Q140-W165 HydrophobicContact CG-CG 4.42Å; Q140-W165 HydrophobicContact CG-CZ2 4.36Å; Q140-W165 WeakPolarHBondContact O-CA 3.43Å; Q140-W165 VanDerWaalsContact O-CB 3.24Å; Q140-W165 WeakPolarHBondContact O-CB 3.34Å; Q140-W165 PolarHBondContact O-N 3.39Å
141C91.3Very high81.6Confident1 Ų154 Ų541%0.00725%0.249CC..SBendtrans-73.9162.4174.7-61.60000112.6Y143 S164C141-Y143 HydrophobicContact CB-CD1 4.16Å; C141-Y143 HydrophobicContact CB-CE1 3.6Å; C141-Y143 HydrophobicContact CB-CE2 4.01Å; C141-Y143 VanDerWaalsContact CB-CZ 3.48Å; C141-Y143 PolarHBondContact SG-OH 2.84Å; C141-S164 WeakPolarHBondContact O-CB 3.48Å
142E90.4Very high80.6Confident0 Ų056.1 Ų56.10%026%0.258CS..SBendtrans-79.1-25.9-178.557.8-87.9-96.300114.6H160 K161 S164 R166 P167 L168E142-H160 HydrophobicContact CB-CB 4.17Å; E142-H160 HydrophobicContact CG-CB 4.31Å; E142-H160 CarbonylContact O-C 3.54Å; E142-H160 WeakPolarHBondContact O-CA 3.44Å; E142-K161 PolarHBondContact O-N 2.84Å; E142-S164 VanDerWaalsContact CA-OG 3.25Å; E142-S164 WeakPolarHBondContact CA-OG 3.12Å; E142-S164 WeakPolarHBondContact CB-OG 3.44Å; E142-R166 HydrophobicContact CB-CG 4.2Å; E142-R166 WeakPolarHBondContact OE1-CA 3.18Å; E142-P167 WeakPolarHBondContact OE2-CD 3.39Å; E142-P167 WeakPolarHBondContact OE2-CG 3.48Å; E142-L168 HydrophobicContact CG-CD1 4.32Å; E142-L168 WeakPolarHBondContact OE1-CB 3.3Å; E142-L168 WeakPolarHBondContact OE1-CG 3.41Å; E142-L168 PolarHBondContact OE1-N 3.39Å; E142-L168 VanDerWaalsContact OE1-N 3.15Å
143Y82.3Confident80.2Confident4 Ų458.9 Ų58.92%0.01627%0.269CS..SBendtrans-92.6169.7-178.256.2-99.4000112.6C141 L168 K181 T213 L215 W238C141-Y143 HydrophobicContact CB-CD1 4.16Å; C141-Y143 HydrophobicContact CB-CE1 3.6Å; C141-Y143 HydrophobicContact CB-CE2 4.01Å; C141-Y143 VanDerWaalsContact CB-CZ 3.48Å; C141-Y143 PolarHBondContact SG-OH 2.84Å; Y143-L168 HydrophobicContact CD1-CD1 4.27Å; Y143-L168 HydrophobicContact CE1-CD1 4.44Å; Y143-K181 HydrophobicContact CE2-CD 4.37Å; Y143-K181 VanDerWaalsContact CE2-NZ 3.34Å; Y143-T213 WeakPolarHBondContact OH-CB 3.26Å; Y143-T213 WeakPolarHBondContact OH-CG2 3.39Å; Y143-L215 HydrophobicContact CE1-CD1 4.46Å; Y143-L215 HydrophobicContact CE1-CD2 4.08Å; Y143-W238 AromaticContact CG-CD1 3.99Å
144E69.2Low79.8Confident75 Ų7560.2 Ų60.235%0.3528%0.282SS..  trans-97.9151.7170.4-61.7-151.2142.900113.2L159 K161E144-L159 HydrophobicContact CG-CD2 4.1Å; E144-K161 WeakPolarHBondContact OE1-CE 3.17Å; E144-K161 IonicContact OE1-NZ 2.71Å; E144-K161 PolarHBondContact OE1-NZ 3.01Å
145E63.4Low79.4Confident109 Ų10965.1 Ų65.151%0.50931%0.308SS..THydrogen-bonded Turntrans-70.5-31.8-172.7-178164.3-161.600113.9N138 Q147N138-E145 PolarHBondContact ND2-OE1 2.87Å; N138-E145 PolarHBondContact ND2-OE2 2.7Å; E145-Q147 PolarHBondContact O-N 2.83Å
146K62.9Low79.1Confident191 Ų19170.8 Ų70.883%0.8334%0.335SS*.THydrogen-bonded Turntrans-64.80.4-177.5-63.9-175.9176.1-177.30115.2N148K146-N148 PolarHBondContact O-N 2.81Å
147Q59.9Low79Confident41 Ų4174.4 Ų74.419%0.19235%0.354CS..  trans-9592.5-178.1-63.1-176.4-3.200110E145 W238E145-Q147 PolarHBondContact O-N 2.83Å; Q147-W238 WeakPolarHBondContact O-CZ2 3.36Å
148N55.6Low78.9Confident146 Ų14673.4 Ų73.478%0.78135%0.349SS*.  trans-88.3-14.2-163.8-68.71.3000116.3K146K146-N148 PolarHBondContact O-N 2.81Å
149R65.9Low78.9Confident179 Ų17977 Ų7768%0.67537%0.368SS*.  trans-99.7125.3-169.3-81.9-165.7-101.7-162-5.2113.8E151 Q152 W238R149-E151 PolarHBondContact O-N 3Å; R149-Q152 HydrophobicContact CB-CG 3.73Å; R149-W238 WeakPolarHBondContact O-CH2 3.31Å
150W70.7Confident79.1Confident80 Ų8072.4 Ų72.430%0.30334%0.343SS..SBendtrans-28.4-66.8170.8-175.9-40.3000114.2L178 F179 K181 H236 W238W150-L178 HydrophobicContact CH2-CD2 3.83Å; W150-L178 HydrophobicContact CH2-CG 4.05Å; W150-L178 HydrophobicContact CZ3-CD2 3.9Å; W150-L178 HydrophobicContact CZ3-CG 4.46Å; W150-F179 VanDerWaalsContact CZ2-C 3.49Å; W150-F179 WeakPolarHBondContact CZ2-O 3.33Å; W150-K181 HydrophobicContact CE3-CB 3.82Å; W150-K181 HydrophobicContact CZ3-CB 3.51Å; W150-K181 VanDerWaalsContact CZ3-N 3.34Å; W150-H236 PolarHBondContact O-NE2 2.85Å; W150-W238 HydrophobicContact CB-CH2 3.83Å; W150-W238 HydrophobicContact CB-CZ3 3.65Å; W150-W238 HydrophobicContact CD2-CE3 4.27Å; W150-W238 AromaticContact CD2-CZ3 3.59Å; W150-W238 HydrophobicContact CD2-CZ3 3.59Å; W150-W238 AromaticContact CE3-CE3 3.64Å; W150-W238 HydrophobicContact CE3-CE3 3.64Å; W150-W238 HydrophobicContact CE3-CH2 4.11Å; W150-W238 AromaticContact CE3-CZ3 3.17Å; W150-W238 HydrophobicContact CE3-CZ3 3.17Å; W150-W238 AromaticContact CG-CZ3 3.85Å; W150-W238 HydrophobicContact CG-CZ3 3.85Å; W150-W238 AromaticContact CZ3-CE3 3.83Å; W150-W238 HydrophobicContact CZ3-CE3 3.83Å; W150-W238 AromaticContact CZ3-CZ3 3.87Å; W150-W238 HydrophobicContact CZ3-CZ3 3.87Å; W150-W238 WeakPolarHBondContact O-CZ3 3.46Å
151E67.1Low79.1Confident118 Ų11875 Ų7555%0.55135%0.354SS*.  trans-126.388.7-163.2-55.1-169.5110.100108.9R149 R310R149-E151 PolarHBondContact O-N 3Å; E151-R310 IonicContact OE1-CZ 2.62Å; E151-R310 IonicContact OE1-NH1 3.82Å; E151-R310 PolarHBondContact OE1-NH1 3.42Å; E151-R310 IonicContact OE1-NH2 3.84Å; E151-R310 PolarHBondContact OE1-NH2 3.21Å
152Q77Confident79.1Confident50 Ų5083.5 Ų83.523%0.23439%0.391CS..  trans-119.699175.1-69.4-163.5-50.800109.5R149 H236 R237R149-Q152 HydrophobicContact CB-CG 3.73Å; Q152-H236 PolarHBondContact N-NE2 3.05Å; Q152-H236 WeakPolarHBondContact O-CA 3.2Å; Q152-H236 PolarHBondContact O-CD2 2.86Å; Q152-R237 HydrophobicContact CB-CG 4.12Å; Q152-R237 PolarHBondContact O-N 3.33Å
153W86.8Confident79.1Confident58 Ų5889.1 Ų89.122%0.2242%0.421CS..EExtended strand (participates in β ladder)trans-92.7148.7163.5-59.290.2000109.2T232 G234 L235 H236 K272 R310W153-T232 HydrophobicContact CB-CG2 4.03Å; W153-T232 HydrophobicContact CD2-CG2 3.76Å; W153-T232 HydrophobicContact CE3-CG2 4.3Å; W153-T232 HydrophobicContact CG-CG2 3.63Å; W153-G234 VanDerWaalsContact CE3-O 3.31Å; W153-L235 WeakPolarHBondContact CA-O 3.15Å; W153-H236 AromaticContact CD1-CD2 3.92Å; W153-H236 HydrophobicContact CD2-CB 3.96Å; W153-H236 AromaticContact CD2-CD2 3.88Å; W153-H236 AromaticContact CE2-CD2 3.71Å; W153-H236 HydrophobicContact CE3-CB 3.75Å; W153-H236 HydrophobicContact CH2-CB 4.01Å; W153-H236 HydrophobicContact CZ2-CB 4.2Å; W153-H236 HydrophobicContact CZ3-CB 3.77Å; W153-H236 AromaticContact NE1-CD2 3.7Å; W153-K272 HydrophobicContact CZ3-CD 4.2Å; W153-R310 HydrophobicContact CH2-CB 4.11Å; W153-R310 HydrophobicContact CZ2-CB 4.24Å
154G89.3Confident79.6Confident29 Ų2989.2 Ų89.230%0.29942%0.422SS..EExtended strand (participates in β ladder)trans163.7177.7173.300000112E156 L235G154-E156 PolarHBondContact O-N 3.19Å; G154-L235 PolarHBondContact N-O 3.18Å; G154-L235 VanDerWaalsContact N-O 3.16Å; G154-L235 PolarHBondContact O-N 3.36Å
155D90.2Very high80.9Confident102 Ų10286.6 Ų86.655%0.54541%0.409SS..SBendtrans-79.8-5.8-170.2-57.9-29.1000114.1L273 R275D155-L273 HydrophobicContact CB-CD1 4.18Å; D155-L273 HydrophobicContact CB-CD2 4.28Å; D155-L273 WeakPolarHBondContact O-CD2 3.45Å; D155-L273 WeakPolarHBondContact OD1-CD1 3.49Å; D155-R275 PolarHBondContact O-NH2 3.4Å
156E89.7Confident82.4Confident120 Ų12084.2 Ų84.256%0.56140%0.395SS*.SBendtrans-61.5135.7170.8-76-177.9-150.400111.6G154 R237G154-E156 PolarHBondContact O-N 3.19Å; E156-R237 VanDerWaalsContact CD-NH2 3.32Å; E156-R237 IonicContact OE1-NH2 3.73Å; E156-R237 PolarHBondContact OE1-NH2 3.34Å; E156-R237 IonicContact OE2-CZ 2.71Å; E156-R237 IonicContact OE2-NH1 3.34Å; E156-R237 PolarHBondContact OE2-NH1 3.13Å; E156-R237 IonicContact OE2-NH2 3.62Å; E156-R237 PolarHBondContact OE2-NH2 3.3Å
157L90Very high84Confident75 Ų7575.1 Ų75.139%0.39336%0.356SS..PPolyproline II helixtrans-76.7128.8179.2-56.6-172000110.7L159 L235 L273 Y306L157-L159 PolarHBondContact O-N 3.22Å; L157-L235 HydrophobicContact CD2-CD1 3.78Å; L157-L273 HydrophobicContact CD2-CD2 4.15Å; L157-Y306 HydrophobicContact CD1-CE1 4.1Å; L157-Y306 HydrophobicContact CD2-CD1 4.05Å; L157-Y306 HydrophobicContact CD2-CE1 3.43Å; L157-Y306 VanDerWaalsContact CD2-CE1 3.43Å; L157-Y306 HydrophobicContact CD2-CE2 4.35Å; L157-Y306 HydrophobicContact CG-CE1 4.39Å
158P89.1Confident85.7Confident8 Ų873.4 Ų73.45%0.05235%0.348CS..PPolyproline II helixtrans-61.4126.5177.1-23.133.4000111.9H160 L235 H236 F241P158-H160 VanDerWaalsContact C-N 3.26Å; P158-H160 PolarHBondContact O-N 2.88Å; P158-L235 HydrophobicContact CG-CB 4.02Å; P158-H236 VanDerWaalsContact CG-O 3.25Å; P158-H236 WeakPolarHBondContact CG-O 3.35Å; P158-F241 HydrophobicContact CB-CD1 3.93Å; P158-F241 HydrophobicContact CB-CE1 3.68Å; P158-F241 HydrophobicContact CG-CD1 3.87Å; P158-F241 HydrophobicContact CG-CE1 3.99Å; P158-F241 WeakPolarHBondContact O-CE1 3.17Å
159L87.8Confident87.7Confident94 Ų9467.4 Ų67.449%0.49231%0.314SS..  trans-76.774-177.9-174.360.8000111E144 L157E144-L159 HydrophobicContact CG-CD2 4.1Å; L157-L159 PolarHBondContact O-N 3.22Å
160H91.7Very high89.3Confident18 Ų1859.2 Ų59.28%0.08328%0.284CS..  trans-92.9100.5179.8-73174.3000112.2E142 P158 K162 Y169 R237 W238 F239 F241E142-H160 HydrophobicContact CB-CB 4.17Å; E142-H160 HydrophobicContact CG-CB 4.31Å; E142-H160 CarbonylContact O-C 3.54Å; E142-H160 WeakPolarHBondContact O-CA 3.44Å; P158-H160 VanDerWaalsContact C-N 3.26Å; P158-H160 PolarHBondContact O-N 2.88Å; H160-K162 PolarHBondContact O-N 2.99Å; H160-Y169 HydrophobicContact CB-CE2 4.45Å; H160-Y169 AromaticContact ND1-CE2 3.46Å; H160-Y169 WeakPolarHBondContact ND1-CE2 3.34Å; H160-Y169 AromaticContact ND1-CZ 3.69Å; H160-Y169 PolarHBondContact ND1-OH 3.15Å; H160-R237 PolarHBondContact NE2-O 3.11Å; H160-W238 PolarHBondContact CE1-O 3.41Å; H160-W238 PolarHBondContact NE2-O 3Å; H160-F239 PolarHBondContact CE1-O 2.81Å; H160-F241 HydrophobicContact CB-CE1 4.09Å; H160-F241 AromaticContact CG-CE1 3.89Å; H160-F241 AromaticContact ND1-CD1 3.53Å; H160-F241 AromaticContact ND1-CE1 3.49Å; H160-F241 WeakPolarHBondContact ND1-CE1 3.39Å
161K91.6Very high90.6Very high77 Ų7755.4 Ų55.434%0.33527%0.27SS..  trans-59116.6-177.4-69-177.5-179.4-175.50112.4E142 E144 D163 S164E142-K161 PolarHBondContact O-N 2.84Å; E144-K161 WeakPolarHBondContact OE1-CE 3.17Å; E144-K161 IonicContact OE1-NZ 2.71Å; E144-K161 PolarHBondContact OE1-NZ 3.01Å; K161-D163 WeakPolarHBondContact CB-OD1 3.39Å; K161-D163 PolarHBondContact O-N 3.11Å; K161-S164 WeakPolarHBondContact O-CB 3.4Å; K161-S164 PolarHBondContact O-N 3.48Å; K161-S164 PolarHBondContact O-OG 3.28Å
162K90.4Very high92Very high180 Ų18050 Ų5078%0.78325%0.245SC*.THydrogen-bonded Turntrans-69.4-14.2-175.5-71.8-178.4179.5174.90114.1R112 H160R112-K162 PolarHBondContact NH2-O 2.93Å; H160-K162 PolarHBondContact O-N 2.99Å
163D90.7Very high93Very high118 Ų11850.1 Ų50.163%0.63125%0.252SS*.THydrogen-bonded Turntrans-102.1-6.6179.160.3-40.7000113.6V108 K161V108-D163 WeakPolarHBondContact CG1-O 3.41Å; V108-D163 WeakPolarHBondContact CG2-O 3.15Å; K161-D163 WeakPolarHBondContact CB-OD1 3.39Å; K161-D163 PolarHBondContact O-N 3.11Å
164S92.9Very high93.5Very high6 Ų647.9 Ų47.94%0.04224%0.244CC..SBendtrans-71.7174.2172.870.30000113.3V108 R112 C141 E142 K161 R166V108-S164 WeakPolarHBondContact CG1-O 3.32Å; R112-S164 PolarHBondContact NE-O 3.41Å; R112-S164 PolarHBondContact NH2-O 3.48Å; C141-S164 WeakPolarHBondContact O-CB 3.48Å; E142-S164 VanDerWaalsContact CA-OG 3.25Å; E142-S164 WeakPolarHBondContact CA-OG 3.12Å; E142-S164 WeakPolarHBondContact CB-OG 3.44Å; K161-S164 WeakPolarHBondContact O-CB 3.4Å; K161-S164 PolarHBondContact O-N 3.48Å; K161-S164 PolarHBondContact O-OG 3.28Å; S164-R166 PolarHBondContact O-N 3.41Å; S164-R166 WeakPolarHBondContact OG-CG 3.24Å; S164-R166 PolarHBondContact OG-N 3.25Å
165W95.1Very high93.8Very high20 Ų2046.9 Ų46.98%0.07624%0.235CC..  trans-74-13.5175.5-6416.8000112.9P100 A111 R112 L115 L136 Q140P100-W165 HydrophobicContact CG-CZ3 4.41Å; P100-W165 WeakPolarHBondContact O-CH2 3.31Å; P100-W165 WeakPolarHBondContact O-CZ3 3.22Å; A111-W165 HydrophobicContact CB-CD2 3.38Å; A111-W165 HydrophobicContact CB-CE3 3.7Å; A111-W165 HydrophobicContact CB-CG 3.8Å; A111-W165 HydrophobicContact CB-CH2 3.91Å; A111-W165 HydrophobicContact CB-CZ2 3.64Å; A111-W165 HydrophobicContact CB-CZ3 3.93Å; R112-W165 WeakPolarHBondContact CG-O 3.31Å; L115-W165 HydrophobicContact CD1-CB 4.16Å; L115-W165 HydrophobicContact CD1-CE3 4.28Å; L136-W165 HydrophobicContact CD2-CE3 3.6Å; L136-W165 HydrophobicContact CD2-CZ3 3.78Å; Q140-W165 HydrophobicContact CB-CB 4.48Å; Q140-W165 HydrophobicContact CB-CD2 3.93Å; Q140-W165 HydrophobicContact CB-CE3 4.4Å; Q140-W165 HydrophobicContact CB-CG 3.94Å; Q140-W165 HydrophobicContact CG-CD2 4.07Å; Q140-W165 HydrophobicContact CG-CG 4.42Å; Q140-W165 HydrophobicContact CG-CZ2 4.36Å; Q140-W165 WeakPolarHBondContact O-CA 3.43Å; Q140-W165 VanDerWaalsContact O-CB 3.24Å; Q140-W165 WeakPolarHBondContact O-CB 3.34Å; Q140-W165 PolarHBondContact O-N 3.39Å
166R95.7Very high94.2Very high59 Ų5942 Ų4222%0.22321%0.209CC..  trans47.150.8178-55.9-174.880.1-176.211.9115E142 S164 L168 Y169 C170E142-R166 HydrophobicContact CB-CG 4.2Å; E142-R166 WeakPolarHBondContact OE1-CA 3.18Å; S164-R166 PolarHBondContact O-N 3.41Å; S164-R166 WeakPolarHBondContact OG-CG 3.24Å; S164-R166 PolarHBondContact OG-N 3.25Å; R166-L168 PolarHBondContact O-N 3.2Å; R166-L168 VanDerWaalsContact O-N 3.13Å; R166-Y169 HydrophobicContact CB-CD2 4.05Å; R166-Y169 HydrophobicContact CB-CG 4.48Å; R166-Y169 PolarHBondContact NH2-OH 3.27Å; R166-Y169 PolarHBondContact O-N 3.24Å; R166-Y169 VanDerWaalsContact O-N 3.14Å; R166-C170 PolarHBondContact O-N 3.21Å; R166-C170 VanDerWaalsContact O-N 3.13Å; R166-C170 PolarHBondContact O-SG 3.15Å
167P96.5Very high94.5Very high0 Ų036.8 Ų36.80%019%0.185CC..Hα-helixtrans-51.7-34.6-179.223.3-37.4000113.9L115 L136 E142 Y169 C170 A171 L215 F217L115-P167 HydrophobicContact CD1-CB 4.08Å; L136-P167 HydrophobicContact CD1-CB 3.98Å; L136-P167 HydrophobicContact CD1-CG 3.8Å; E142-P167 WeakPolarHBondContact OE2-CD 3.39Å; E142-P167 WeakPolarHBondContact OE2-CG 3.48Å; P167-Y169 PolarHBondContact O-N 3.04Å; P167-C170 PolarHBondContact O-N 3.5Å; P167-A171 WeakPolarHBondContact O-CB 3.26Å; P167-A171 PolarHBondContact O-N 3.35Å; P167-L215 HydrophobicContact CB-CD1 3.98Å; P167-L215 HydrophobicContact CG-CD1 3.52Å; P167-F217 HydrophobicContact CB-CZ 4.5Å
168L96.5Very high94.7Very high4 Ų433.7 Ų33.72%0.02117%0.169CC..Hα-helixtrans-69.7-37-176.1-49.6-179.2000111.3E142 Y143 R166 S172 L178 L215 F217 W238 P240E142-L168 HydrophobicContact CG-CD1 4.32Å; E142-L168 WeakPolarHBondContact OE1-CB 3.3Å; E142-L168 WeakPolarHBondContact OE1-CG 3.41Å; E142-L168 PolarHBondContact OE1-N 3.39Å; E142-L168 VanDerWaalsContact OE1-N 3.15Å; Y143-L168 HydrophobicContact CD1-CD1 4.27Å; Y143-L168 HydrophobicContact CE1-CD1 4.44Å; R166-L168 PolarHBondContact O-N 3.2Å; R166-L168 VanDerWaalsContact O-N 3.13Å; L168-S172 WeakPolarHBondContact O-CB 3.39Å; L168-S172 PolarHBondContact O-N 3.29Å; L168-S172 VanDerWaalsContact O-N 3.09Å; L168-L178 HydrophobicContact CD1-CD2 4.39Å; L168-L178 HydrophobicContact CD2-CB 4.11Å; L168-L178 HydrophobicContact CD2-CD1 3.8Å; L168-L178 HydrophobicContact CD2-CD2 3.85Å; L168-L178 HydrophobicContact CD2-CG 4.13Å; L168-L215 HydrophobicContact CD2-CD1 3.93Å; L168-L215 HydrophobicContact CD2-CD2 4.31Å; L168-F217 HydrophobicContact CD2-CE1 3.61Å; L168-F217 HydrophobicContact CD2-CZ 3.73Å; L168-W238 HydrophobicContact CD1-CB 4.23Å; L168-W238 WeakPolarHBondContact CD1-O 3.49Å; L168-P240 HydrophobicContact CB-CG 3.99Å; L168-P240 VanDerWaalsContact O-CG 3.29Å; L168-P240 WeakPolarHBondContact O-CG 3.21Å
169Y97.6Very high94.9Very high21 Ų2135.3 Ų35.38%0.08218%0.175CC..Hα-helixtrans-72.6-33.3173.6-69.3-96.2000112.2H160 R166 P167 S173 P240 F241 Y242H160-Y169 HydrophobicContact CB-CE2 4.45Å; H160-Y169 AromaticContact ND1-CE2 3.46Å; H160-Y169 WeakPolarHBondContact ND1-CE2 3.34Å; H160-Y169 AromaticContact ND1-CZ 3.69Å; H160-Y169 PolarHBondContact ND1-OH 3.15Å; R166-Y169 HydrophobicContact CB-CD2 4.05Å; R166-Y169 HydrophobicContact CB-CG 4.48Å; R166-Y169 PolarHBondContact NH2-OH 3.27Å; R166-Y169 PolarHBondContact O-N 3.24Å; R166-Y169 VanDerWaalsContact O-N 3.14Å; P167-Y169 PolarHBondContact O-N 3.04Å; Y169-S173 PolarHBondContact O-N 3.5Å; Y169-S173 PolarHBondContact O-OG 3.05Å; Y169-P240 HydrophobicContact CD1-CB 3.76Å; Y169-P240 HydrophobicContact CD1-CG 4.49Å; Y169-P240 HydrophobicContact CD2-CB 4.4Å; Y169-P240 HydrophobicContact CD2-CG 4.45Å; Y169-P240 HydrophobicContact CE1-CB 3.68Å; Y169-P240 HydrophobicContact CE2-CB 4.32Å; Y169-P240 HydrophobicContact CG-CB 4.14Å; Y169-P240 HydrophobicContact CG-CG 4.39Å; Y169-F241 WeakPolarHBondContact CE1-O 3.38Å; Y169-F241 WeakPolarHBondContact OH-CD1 3.45Å; Y169-F241 PolarHBondContact OH-N 3.22Å; Y169-F241 VanDerWaalsContact OH-N 3.09Å; Y169-F241 PolarHBondContact OH-O 3.5Å; Y169-Y242 AromaticContact CD1-CE1 3.77Å; Y169-Y242 HydrophobicContact CD1-CE1 3.77Å; Y169-Y242 AromaticContact CD1-CZ 3.89Å; Y169-Y242 HydrophobicContact CE1-CD1 4.3Å; Y169-Y242 AromaticContact CE1-CE1 3.68Å; Y169-Y242 HydrophobicContact CE1-CE1 3.68Å; Y169-Y242 AromaticContact CE1-CZ 3.91Å
170C97.7Very high95Very high6 Ų631.8 Ų31.84%0.04116%0.155CC..Hα-helixtrans-67.9-45176-55.90000110.9L115 F119 R166 P167 S173 C174L115-C170 HydrophobicContact CB-CB 3.93Å; F119-C170 HydrophobicContact CD2-CB 4.28Å; F119-C170 HydrophobicContact CE2-CB 4.39Å; R166-C170 PolarHBondContact O-N 3.21Å; R166-C170 VanDerWaalsContact O-N 3.13Å; R166-C170 PolarHBondContact O-SG 3.15Å; P167-C170 PolarHBondContact O-N 3.5Å; C170-S173 PolarHBondContact O-N 2.89Å; C170-S173 PolarHBondContact O-OG 3.44Å; C170-C174 PolarHBondContact O-SG 3.21Å; C170-C174 VanDerWaalsContact O-SG 3.37Å
171A98Very high94.9Very high0 Ų033 Ų330%016%0.16CC..Hα-helixtrans-56.9-51.117300000111.9F119 P167 S173 C174 G175 F176 F217F119-A171 HydrophobicContact CD1-CB 4.27Å; F119-A171 HydrophobicContact CD2-CB 4.02Å; F119-A171 HydrophobicContact CE1-CB 3.98Å; F119-A171 HydrophobicContact CE2-CB 3.72Å; F119-A171 HydrophobicContact CG-CB 4.32Å; F119-A171 HydrophobicContact CZ-CB 3.7Å; P167-A171 WeakPolarHBondContact O-CB 3.26Å; P167-A171 PolarHBondContact O-N 3.35Å; A171-S173 VanDerWaalsContact C-N 3.25Å; A171-S173 PolarHBondContact O-N 3.25Å; A171-C174 CarbonylContact O-C 3.46Å; A171-C174 PolarHBondContact O-N 3.07Å; A171-G175 PolarHBondContact O-N 2.92Å; A171-F176 CarbonylContact C-O 3.59Å; A171-F176 HydrophobicContact CB-CB 3.85Å; A171-F176 WeakPolarHBondContact O-CB 3.33Å; A171-F176 PolarHBondContact O-N 3.44Å; A171-F217 HydrophobicContact CB-CD1 3.44Å; A171-F217 VanDerWaalsContact CB-CD1 3.44Å; A171-F217 HydrophobicContact CB-CE1 3.39Å; A171-F217 HydrophobicContact CB-CG 4.25Å; A171-F217 HydrophobicContact CB-CZ 4.17Å
172S97.7Very high94.7Very high4 Ų429.8 Ų29.83%0.02815%0.148CC..Hα-helixtrans-65.6-27.1-178.8-152.30000113.2L168 C174 F176 L314L168-S172 WeakPolarHBondContact O-CB 3.39Å; L168-S172 PolarHBondContact O-N 3.29Å; L168-S172 VanDerWaalsContact O-N 3.09Å; S172-C174 PolarHBondContact O-N 2.79Å; S172-F176 VanDerWaalsContact CA-O 3.3Å; S172-F176 WeakPolarHBondContact CA-O 3.47Å; S172-F176 PolarHBondContact N-O 3.09Å; S172-L314 PolarHBondContact OG-N 2.75Å; S172-L314 PolarHBondContact OG-O 2.91Å; S172-L314 VanDerWaalsContact OG-O 3.04Å
173S97.3Very high94.7Very high54 Ų5426 Ų2638%0.37814%0.141SC..THydrogen-bonded Turntrans-69.3-11.8171.266.40000114.7Y169 C170 A171Y169-S173 PolarHBondContact O-N 3.5Å; Y169-S173 PolarHBondContact O-OG 3.05Å; C170-S173 PolarHBondContact O-N 2.89Å; C170-S173 PolarHBondContact O-OG 3.44Å; A171-S173 VanDerWaalsContact C-N 3.25Å; A171-S173 PolarHBondContact O-N 3.25Å
174C97Very high94.8Very high10 Ų1020.8 Ų20.87%0.06811%0.113CC..THydrogen-bonded Turntrans-121.515.4-174.8-55.60000113.9T116 F119 C123 C170 A171 S172 F176T116-C174 PolarHBondContact O-SG 2.8Å; T116-C174 VanDerWaalsContact O-SG 3.33Å; F119-C174 HydrophobicContact CB-CB 3.59Å; C123-C174 PolarHBondContact SG-O 3.31Å; C170-C174 PolarHBondContact O-SG 3.21Å; C170-C174 VanDerWaalsContact O-SG 3.37Å; A171-C174 CarbonylContact O-C 3.46Å; A171-C174 PolarHBondContact O-N 3.07Å; S172-C174 PolarHBondContact O-N 2.79Å; C174-F176 HydrophobicContact CB-CD2 4.25Å; C174-F176 WeakPolarHBondContact O-CD2 3.44Å
175G96.9Very high94.7Very high9 Ų921.1 Ų21.19%0.09312%0.115CC..THydrogen-bonded Turntrans84.126-179.900000114.9A171 Q219 A220A171-G175 PolarHBondContact O-N 2.92Å; G175-Q219 WeakPolarHBondContact O-CA 3.3Å; G175-A220 CarbonylContact C-O 3.53Å; G175-A220 PolarHBondContact O-N 3.45Å; G175-A220 VanDerWaalsContact O-O 3.05Å
176F97.6Very high94.5Very high0 Ų022.8 Ų22.80%012%0.122CC..EExtended strand (participates in β ladder)trans-121142.5178.2-72-93000113.2F119 C122 C123 L126 V132 A171 S172 C174 F217 R218 Q219F119-F176 HydrophobicContact CB-CD2 4.02Å; F119-F176 HydrophobicContact CB-CE2 4.18Å; F119-F176 HydrophobicContact CD1-CB 4.44Å; F119-F176 HydrophobicContact CD1-CD1 4.48Å; F119-F176 AromaticContact CD1-CD2 3.94Å; F119-F176 HydrophobicContact CD1-CD2 3.94Å; F119-F176 HydrophobicContact CD1-CE2 4.3Å; F119-F176 HydrophobicContact CD1-CG 4.04Å; F119-F176 HydrophobicContact CG-CD2 4.35Å; F119-F176 VanDerWaalsContact O-CE2 3.24Å; F119-F176 WeakPolarHBondContact O-CE2 3.41Å; C122-F176 HydrophobicContact CB-CZ 4.1Å; C123-F176 VanDerWaalsContact SG-CE2 3.5Å; L126-F176 HydrophobicContact CD1-CE1 3.58Å; L126-F176 HydrophobicContact CD1-CZ 3.62Å; V132-F176 HydrophobicContact CB-CE1 4.33Å; V132-F176 HydrophobicContact CG2-CD1 4.21Å; V132-F176 HydrophobicContact CG2-CE1 3.48Å; V132-F176 VanDerWaalsContact CG2-CE1 3.48Å; V132-F176 HydrophobicContact CG2-CZ 3.97Å; A171-F176 CarbonylContact C-O 3.59Å; A171-F176 HydrophobicContact CB-CB 3.85Å; A171-F176 WeakPolarHBondContact O-CB 3.33Å; A171-F176 PolarHBondContact O-N 3.44Å; S172-F176 VanDerWaalsContact CA-O 3.3Å; S172-F176 WeakPolarHBondContact CA-O 3.47Å; S172-F176 PolarHBondContact N-O 3.09Å; C174-F176 HydrophobicContact CB-CD2 4.25Å; C174-F176 WeakPolarHBondContact O-CD2 3.44Å; F176-F217 HydrophobicContact CB-CB 4.21Å; F176-F217 HydrophobicContact CD1-CB 4.1Å; F176-R218 WeakPolarHBondContact CA-O 3.5Å; F176-R218 WeakPolarHBondContact CD1-O 3.21Å; F176-Q219 HydrophobicContact CD1-CG 4.2Å; F176-Q219 HydrophobicContact CE1-CG 3.55Å; F176-Q219 HydrophobicContact CZ-CG 3.75Å
177V96.4Very high94.2Very high10 Ų1025 Ų256%0.06114%0.138CC..EExtended strand (participates in β ladder)trans-120.6143.6170.5-63.20000111.3F217 R218 A220 H312V177-F217 VanDerWaalsContact O-CA 3.25Å; V177-F217 WeakPolarHBondContact O-CA 3.03Å; V177-R218 HydrophobicContact CG2-CG 3.8Å; V177-R218 PolarHBondContact N-O 3.39Å; V177-R218 PolarHBondContact O-N 3.19Å; V177-A220 HydrophobicContact CB-CB 4.36Å; V177-A220 HydrophobicContact CG1-CB 3.85Å; V177-A220 HydrophobicContact CG2-CB 3.73Å; V177-H312 VanDerWaalsContact CG1-C 3.46Å; V177-H312 WeakPolarHBondContact CG1-O 3.44Å
178L95.4Very high93.9Very high10 Ų1029 Ų295%0.05216%0.155CC..EExtended strand (participates in β ladder)trans-71.6128.9174.4-174.480.9000109.7W150 L168 K180 L215 W216 F217 F239W150-L178 HydrophobicContact CH2-CD2 3.83Å; W150-L178 HydrophobicContact CH2-CG 4.05Å; W150-L178 HydrophobicContact CZ3-CD2 3.9Å; W150-L178 HydrophobicContact CZ3-CG 4.46Å; L168-L178 HydrophobicContact CD1-CD2 4.39Å; L168-L178 HydrophobicContact CD2-CB 4.11Å; L168-L178 HydrophobicContact CD2-CD1 3.8Å; L168-L178 HydrophobicContact CD2-CD2 3.85Å; L168-L178 HydrophobicContact CD2-CG 4.13Å; L178-K180 WeakPolarHBondContact CD1-O 3.47Å; L178-L215 HydrophobicContact CD1-CB 3.76Å; L178-L215 HydrophobicContact CD1-CD2 3.78Å; L178-L215 HydrophobicContact CD1-CG 4.33Å; L178-L215 HydrophobicContact CD2-CD2 4.37Å; L178-W216 WeakPolarHBondContact CD1-O 3.48Å; L178-F217 HydrophobicContact CB-CD1 4.08Å; L178-F217 HydrophobicContact CB-CE1 4.05Å; L178-F217 HydrophobicContact CD1-CD1 4.09Å; L178-F217 HydrophobicContact CD1-CE1 3.77Å; L178-F217 HydrophobicContact CD1-CE2 4.34Å; L178-F217 HydrophobicContact CD1-CZ 3.91Å; L178-F239 HydrophobicContact CB-CE1 4.27Å; L178-F239 WeakPolarHBondContact O-CE1 3.34Å
179F92.1Very high93.7Very high41 Ų4129 Ų2918%0.1816%0.155CC..EExtended strand (participates in β ladder)trans-119.3-15.2175.476.4-89.8000114.1V131 W150 W216 R218 V424V131-F179 HydrophobicContact CB-CE1 3.89Å; V131-F179 HydrophobicContact CB-CZ 4.11Å; V131-F179 HydrophobicContact CG1-CE1 3.59Å; V131-F179 HydrophobicContact CG1-CZ 3.75Å; V131-F179 HydrophobicContact CG2-CZ 4.47Å; W150-F179 VanDerWaalsContact CZ2-C 3.49Å; W150-F179 WeakPolarHBondContact CZ2-O 3.33Å; F179-W216 HydrophobicContact CD1-CB 4.32Å; F179-W216 VanDerWaalsContact CD1-O 3.28Å; F179-W216 WeakPolarHBondContact CD1-O 3.25Å; F179-W216 HydrophobicContact CE1-CB 3.74Å; F179-W216 HydrophobicContact CE2-CB 4.31Å; F179-W216 HydrophobicContact CZ-CB 3.74Å; F179-W216 HydrophobicContact CZ-CE3 4.42Å; F179-W216 PolarHBondContact N-O 2.77Å; F179-R218 HydrophobicContact CD1-CB 3.94Å; F179-R218 HydrophobicContact CD1-CG 4.11Å; F179-R218 HydrophobicContact CE1-CB 4.29Å; F179-V424 HydrophobicContact CD2-CG2 4.44Å; F179-V424 HydrophobicContact CE2-CG1 4.02Å; F179-V424 HydrophobicContact CE2-CG2 3.82Å
180K90.4Very high93.5Very high20 Ų2029.9 Ų29.99%0.08717%0.165CC..EExtended strand (participates in β ladder)trans-153.2147.9176.8165.9-170.6174-159.40111.2L178 W216 I428L178-K180 WeakPolarHBondContact CD1-O 3.47Å; K180-W216 HydrophobicContact CB-CB 3.91Å; K180-W216 HydrophobicContact CB-CG 4.27Å; K180-W216 HydrophobicContact CD-CG 4.07Å; K180-W216 HydrophobicContact CG-CB 4.38Å; K180-W216 HydrophobicContact CG-CG 4.2Å; K180-W216 PolarHBondContact N-O 3.48Å; K180-W216 WeakPolarHBondContact O-CB 3.44Å; K180-W216 PolarHBondContact O-N 3.42Å; K180-I428 HydrophobicContact CD-CD1 4.26Å; K180-I428 HydrophobicContact CD-CG1 4.35Å
181K89.1Confident93.3Very high44 Ų4439.8 Ų39.819%0.19120%0.202CC..EExtended strand (participates in β ladder)trans-129.9137.4171171.1-176.5164.5-1720108Y143 W150 T213 L215Y143-K181 HydrophobicContact CE2-CD 4.37Å; Y143-K181 VanDerWaalsContact CE2-NZ 3.34Å; W150-K181 HydrophobicContact CE3-CB 3.82Å; W150-K181 HydrophobicContact CZ3-CB 3.51Å; W150-K181 VanDerWaalsContact CZ3-N 3.34Å; K181-T213 HydrophobicContact CD-CG2 4.26Å; K181-T213 HydrophobicContact CG-CG2 3.54Å; K181-L215 HydrophobicContact CB-CD2 4.17Å; K181-L215 HydrophobicContact CD-CD2 4.45Å; K181-L215 HydrophobicContact CG-CD2 4.06Å
182C88.4Confident93.1Very high10 Ų1040.5 Ų40.57%0.06821%0.206CC..EExtended strand (participates in β ladder)trans-149.5152.8170.657.30000111.3T214 W216C182-T214 PolarHBondContact N-O 2.86Å; C182-T214 PolarHBondContact O-N 3.36Å; C182-W216 PolarHBondContact SG-NE1 3.49Å; C182-W216 VanDerWaalsContact SG-NE1 3.41Å
183P90Very high92.9Very high99 Ų9941.5 Ų41.564%0.64322%0.217SC*.EExtended strand (participates in β ladder)trans-54.3143.9166.2-23.134.1000110.9
184F91.7Very high92.8Very high9 Ų939.7 Ų39.74%0.03920%0.202CC..  trans-69.2126.6171.7-177.7-100.9000108.9F22 F99 T135 Y186 L189 Y194 A212F22-F184 HydrophobicContact CD2-CZ 4.3Å; F22-F184 HydrophobicContact CE2-CE2 4.13Å; F22-F184 HydrophobicContact CE2-CZ 4.24Å; F99-F184 HydrophobicContact CE2-CD1 4.43Å; F99-F184 HydrophobicContact CE2-CE1 4.11Å; F99-F184 HydrophobicContact CE2-CE2 4.29Å; F99-F184 HydrophobicContact CE2-CZ 4.01Å; F99-F184 HydrophobicContact CZ-CD1 4.08Å; F99-F184 HydrophobicContact CZ-CE1 4.19Å; F99-F184 HydrophobicContact CZ-CG 4.28Å; F99-F184 HydrophobicContact CZ-CZ 4.46Å; T135-F184 HydrophobicContact CG2-CB 3.86Å; T135-F184 HydrophobicContact CG2-CD2 3.47Å; T135-F184 VanDerWaalsContact CG2-CD2 3.47Å; T135-F184 HydrophobicContact CG2-CE2 4.17Å; T135-F184 HydrophobicContact CG2-CG 3.79Å; F184-Y186 HydrophobicContact CD1-CD2 4.41Å; F184-Y186 HydrophobicContact CE1-CD2 4.08Å; F184-Y186 PolarHBondContact O-N 3.48Å; F184-L189 HydrophobicContact CE1-CD1 3.8Å; F184-L189 HydrophobicContact CE2-CD1 3.8Å; F184-L189 HydrophobicContact CZ-CD1 3.34Å; F184-Y194 HydrophobicContact CE1-CD1 4.24Å; F184-Y194 AromaticContact CE1-CE1 3.65Å; F184-Y194 HydrophobicContact CE1-CE1 3.65Å; F184-Y194 HydrophobicContact CZ-CD1 4.4Å; F184-Y194 AromaticContact CZ-CE1 3.84Å; F184-Y194 HydrophobicContact CZ-CE1 3.84Å; F184-A212 HydrophobicContact CB-CB 3.8Å; F184-A212 HydrophobicContact CG-CB 4.49Å; F184-A212 PolarHBondContact N-O 2.89Å
185P90.8Very high92.5Very high14 Ų1444.5 Ų44.59%0.09122%0.224CC..  trans-83.859.5-170.336-38.3000111.6D187 K188 L189 F431P185-D187 PolarHBondContact O-N 2.94Å; P185-K188 HydrophobicContact CB-CB 4.26Å; P185-K188 HydrophobicContact CB-CD 4.1Å; P185-K188 HydrophobicContact CB-CG 4.17Å; P185-K188 PolarHBondContact O-N 2.92Å; P185-L189 HydrophobicContact CG-CD1 4.05Å; P185-L189 HydrophobicContact CG-CG 4.34Å; P185-L189 PolarHBondContact O-N 3.24Å; P185-F431 WeakPolarHBondContact CB-O 3.31Å; P185-F431 HydrophobicContact CG-CB 4.25Å; P185-F431 HydrophobicContact CG-CD1 3.68Å; P185-F431 HydrophobicContact CG-CG 4.39Å
186Y90.7Very high92.1Very high55 Ų5544.6 Ų44.622%0.21622%0.222CC..Hα-helixtrans-45.6-61.1-172.5-173.4-103.1000112F184 K188 L189 S190 Y194 N196 A209F184-Y186 HydrophobicContact CD1-CD2 4.41Å; F184-Y186 HydrophobicContact CE1-CD2 4.08Å; F184-Y186 PolarHBondContact O-N 3.48Å; Y186-K188 PolarHBondContact O-N 3.26Å; Y186-K188 VanDerWaalsContact O-N 3.1Å; Y186-L189 PolarHBondContact O-N 2.9Å; Y186-S190 WeakPolarHBondContact CE1-OG 3.28Å; Y186-S190 PolarHBondContact O-N 3.29Å; Y186-S190 PolarHBondContact O-OG 3.06Å; Y186-Y194 HydrophobicContact CD2-CD1 4.1Å; Y186-Y194 AromaticContact CD2-CE1 3.81Å; Y186-Y194 HydrophobicContact CD2-CE1 3.81Å; Y186-Y194 AromaticContact CE2-CD1 3.94Å; Y186-Y194 HydrophobicContact CE2-CD1 3.94Å; Y186-Y194 AromaticContact CE2-CE1 3.67Å; Y186-Y194 HydrophobicContact CE2-CE1 3.67Å; Y186-N196 HydrophobicContact CE2-CB 4.16Å; Y186-N196 PolarHBondContact OH-OD1 2.88Å; Y186-A209 HydrophobicContact CD2-CB 3.37Å; Y186-A209 HydrophobicContact CE2-CB 3.45Å; Y186-A209 VanDerWaalsContact CE2-CB 3.45Å; Y186-A209 HydrophobicContact CG-CB 4.03Å
187D90.7Very high91.5Very high106 Ų10645.8 Ų45.857%0.56723%0.229SC*.Hα-helixtrans-57.4-32.4-176.2-47.4-29.7000113.9P185 R191P185-D187 PolarHBondContact O-N 2.94Å; D187-R191 WeakPolarHBondContact O-CG 3.25Å; D187-R191 PolarHBondContact O-N 3.15Å; D187-R191 VanDerWaalsContact O-N 3.11Å
188K89.9Confident90.7Very high82 Ų8246.8 Ų46.836%0.35724%0.241SC..Hα-helixtrans-72.8-37.9179.3-52.9-168-170.9101.70111.2P185 Y186 C192 F431P185-K188 HydrophobicContact CB-CB 4.26Å; P185-K188 HydrophobicContact CB-CD 4.1Å; P185-K188 HydrophobicContact CB-CG 4.17Å; P185-K188 PolarHBondContact O-N 2.92Å; Y186-K188 PolarHBondContact O-N 3.26Å; Y186-K188 VanDerWaalsContact O-N 3.1Å; K188-C192 PolarHBondContact O-SG 2.68Å; K188-F431 PolarHBondContact NZ-O 3.19Å
189L92.8Very high89.6Confident4 Ų451.1 Ų51.12%0.02126%0.26CS..Hα-helixtrans-74.9-38.6176-67.1167.1000110.9F22 A25 F184 P185 Y186 R191 C192 G193 Y194F22-L189 HydrophobicContact CD2-CD1 4.21Å; F22-L189 HydrophobicContact CE2-CD1 3.82Å; F22-L189 HydrophobicContact CE2-CD2 4.36Å; A25-L189 HydrophobicContact CB-CD2 4.41Å; F184-L189 HydrophobicContact CE1-CD1 3.8Å; F184-L189 HydrophobicContact CE2-CD1 3.8Å; F184-L189 HydrophobicContact CZ-CD1 3.34Å; P185-L189 HydrophobicContact CG-CD1 4.05Å; P185-L189 HydrophobicContact CG-CG 4.34Å; P185-L189 PolarHBondContact O-N 3.24Å; Y186-L189 PolarHBondContact O-N 2.9Å; L189-R191 VanDerWaalsContact C-N 3.31Å; L189-R191 PolarHBondContact O-N 2.82Å; L189-C192 CarbonylContact O-C 3.38Å; L189-C192 VanDerWaalsContact O-CA 3.32Å; L189-C192 WeakPolarHBondContact O-CA 3.43Å; L189-C192 WeakPolarHBondContact O-CB 3.44Å; L189-C192 PolarHBondContact O-N 3.27Å; L189-G193 PolarHBondContact O-N 3.06Å; L189-G193 VanDerWaalsContact O-N 3.15Å; L189-Y194 HydrophobicContact CB-CD1 4.03Å; L189-Y194 HydrophobicContact CB-CG 4.15Å; L189-Y194 WeakPolarHBondContact O-CB 3.47Å; L189-Y194 PolarHBondContact O-N 3.3Å
190S92.5Very high88.5Confident41 Ų4159.3 Ų59.329%0.28729%0.29SS..Hα-helixtrans-61.4-38.6175.6-51.60000111.8Y186 C192 G193Y186-S190 WeakPolarHBondContact CE1-OG 3.28Å; Y186-S190 PolarHBondContact O-N 3.29Å; Y186-S190 PolarHBondContact O-OG 3.06Å; S190-C192 PolarHBondContact O-N 2.92Å; S190-G193 PolarHBondContact O-N 3.27Å
191R93.6Very high87.5Confident214 Ų21460.4 Ų60.481%0.80831%0.307SS*.THydrogen-bonded Turntrans-62.6-19.3169.8-71.1169.4-161.8-164.33.9114D187 L189D187-R191 WeakPolarHBondContact O-CG 3.25Å; D187-R191 PolarHBondContact O-N 3.15Å; D187-R191 VanDerWaalsContact O-N 3.11Å; L189-R191 VanDerWaalsContact C-N 3.31Å; L189-R191 PolarHBondContact O-N 2.82Å
192C94.1Very high86.6Confident14 Ų1463.7 Ų63.710%0.09532%0.323CS..THydrogen-bonded Turntrans-96.51.7173-54.80000112.5A25 R28 K188 L189 S190A25-C192 HydrophobicContact CB-CB 3.88Å; R28-C192 HydrophobicContact CB-CB 4.44Å; R28-C192 WeakPolarHBondContact CD-O 3.26Å; R28-C192 PolarHBondContact NH1-O 3.42Å; K188-C192 PolarHBondContact O-SG 2.68Å; L189-C192 CarbonylContact O-C 3.38Å; L189-C192 VanDerWaalsContact O-CA 3.32Å; L189-C192 WeakPolarHBondContact O-CA 3.43Å; L189-C192 WeakPolarHBondContact O-CB 3.44Å; L189-C192 PolarHBondContact O-N 3.27Å; S190-C192 PolarHBondContact O-N 2.92Å
193G93.9Very high85.7Confident25 Ų2564.8 Ų64.826%0.25834%0.336SS..THydrogen-bonded Turntrans94.521.7179.600000115.9L189 S190L189-G193 PolarHBondContact O-N 3.06Å; L189-G193 VanDerWaalsContact O-N 3.15Å; S190-G193 PolarHBondContact O-N 3.27Å
194Y94.6Very high85Confident16 Ų1666.9 Ų66.96%0.06334%0.335CS..  trans-75129.7168.9174.1-120.3000111.1T21 F22 F99 F184 Y186 L189 N196T21-Y194 WeakPolarHBondContact OG1-CD2 3.39Å; F22-Y194 HydrophobicContact CB-CD2 3.78Å; F22-Y194 HydrophobicContact CB-CE2 3.81Å; F22-Y194 HydrophobicContact CD2-CD2 4.38Å; F22-Y194 HydrophobicContact CD2-CE2 4.41Å; F99-Y194 WeakPolarHBondContact CE2-OH 3.45Å; F184-Y194 HydrophobicContact CE1-CD1 4.24Å; F184-Y194 AromaticContact CE1-CE1 3.65Å; F184-Y194 HydrophobicContact CE1-CE1 3.65Å; F184-Y194 HydrophobicContact CZ-CD1 4.4Å; F184-Y194 AromaticContact CZ-CE1 3.84Å; F184-Y194 HydrophobicContact CZ-CE1 3.84Å; Y186-Y194 HydrophobicContact CD2-CD1 4.1Å; Y186-Y194 AromaticContact CD2-CE1 3.81Å; Y186-Y194 HydrophobicContact CD2-CE1 3.81Å; Y186-Y194 AromaticContact CE2-CD1 3.94Å; Y186-Y194 HydrophobicContact CE2-CD1 3.94Å; Y186-Y194 AromaticContact CE2-CE1 3.67Å; Y186-Y194 HydrophobicContact CE2-CE1 3.67Å; L189-Y194 HydrophobicContact CB-CD1 4.03Å; L189-Y194 HydrophobicContact CB-CG 4.15Å; L189-Y194 WeakPolarHBondContact O-CB 3.47Å; L189-Y194 PolarHBondContact O-N 3.3Å; Y194-N196 HydrophobicContact CE1-CB 4.12Å; Y194-N196 WeakPolarHBondContact OH-CB 3.35Å
195E91.9Very high84.5Confident112 Ų11269.4 Ų69.452%0.52336%0.358SS..  trans-126116.8172.5-69.5-178.5-149.500109.3N19 T21 F57N19-E195 PolarHBondContact ND2-O 3.39Å; T21-E195 HydrophobicContact CG2-CB 4.39Å; T21-E195 PolarHBondContact OG1-N 2.84Å; T21-E195 PolarHBondContact OG1-O 2.91Å; T21-E195 VanDerWaalsContact OG1-O 3.04Å; F57-E195 HydrophobicContact CE1-CB 4.27Å; F57-E195 WeakPolarHBondContact CE1-OE2 3.46Å
196N88.6Confident83.9Confident10 Ų1070.5 Ų70.55%0.05336%0.361CS..  trans-71.9136.8177.975.4-46.8000111Y186 Y194 A205 F206Y186-N196 HydrophobicContact CE2-CB 4.16Å; Y186-N196 PolarHBondContact OH-OD1 2.88Å; Y194-N196 HydrophobicContact CE1-CB 4.12Å; Y194-N196 WeakPolarHBondContact OH-CB 3.35Å; N196-A205 WeakPolarHBondContact O-CA 3.22Å; N196-A205 VanDerWaalsContact O-CB 3.26Å; N196-A205 WeakPolarHBondContact O-CB 3.45Å; N196-F206 HydrophobicContact CB-CD1 4.29Å; N196-F206 HydrophobicContact CB-CE1 3.72Å; N196-F206 HydrophobicContact CB-CZ 3.86Å; N196-F206 WeakPolarHBondContact ND2-CD1 3.38Å; N196-F206 WeakPolarHBondContact ND2-CD2 3.47Å; N196-F206 VanDerWaalsContact ND2-CE1 3.31Å; N196-F206 WeakPolarHBondContact ND2-CE1 3.22Å; N196-F206 VanDerWaalsContact ND2-CE2 3.31Å; N196-F206 WeakPolarHBondContact ND2-CE2 3.35Å; N196-F206 WeakPolarHBondContact ND2-CG 3.5Å; N196-F206 VanDerWaalsContact ND2-CZ 3.34Å; N196-F206 WeakPolarHBondContact ND2-CZ 3.42Å; N196-F206 PolarHBondContact ND2-N 3.1Å; N196-F206 PolarHBondContact ND2-O 3Å
197T85.2Confident83Confident25 Ų2572.8 Ų72.815%0.15339%0.391CS..  trans-136.3177.4174.454.20000111N19 F57 K204 F206N19-T197 WeakPolarHBondContact ND2-CG2 3.47Å; N19-T197 PolarHBondContact ND2-OG1 2.97Å; F57-T197 HydrophobicContact CE2-CG2 4.05Å; F57-T197 HydrophobicContact CZ-CG2 3.8Å; T197-K204 CarbonylContact C-O 3.55Å; T197-K204 WeakPolarHBondContact CA-O 3.32Å; T197-F206 WeakPolarHBondContact O-CE1 3.15Å
198G78.4Confident82.1Confident31 Ų3173.1 Ų73.132%0.3239%0.388SS..  trans116.33.2176.800000115.6R200 G201 Q202 K204G198-R200 PolarHBondContact O-N 3.33Å; G198-G201 PolarHBondContact O-N 3.07Å; G198-Q202 CarbonylContact C-O 3.53Å; G198-Q202 WeakPolarHBondContact CA-O 3.24Å; G198-Q202 PolarHBondContact N-O 2.92Å; G198-K204 PolarHBondContact N-O 3.08Å
199F73.5Confident81.1Confident101 Ų10169.4 Ų69.444%0.44337%0.373SS..G310 helixtrans-57.9115.9178.8178.7-96.4000111.2G201 Q202 K204 A205F199-G201 PolarHBondContact O-N 3.09Å; F199-Q202 WeakPolarHBondContact O-CB 3.36Å; F199-Q202 PolarHBondContact O-N 2.89Å; F199-K204 HydrophobicContact CB-CB 4.23Å; F199-K204 WeakPolarHBondContact CB-O 3.48Å; F199-K204 PolarHBondContact N-O 3.32Å; F199-A205 WeakPolarHBondContact CB-O 3.2Å
200R68.8Low80.2Confident213 Ų21373.9 Ų73.980%0.80440%0.396SS*.G310 helixtrans52.235.1-172.3-58.1-178178.1-174-0.1113.3G198 Q202G198-R200 PolarHBondContact O-N 3.33Å; R200-Q202 PolarHBondContact O-N 2.84Å
201G67.7Low79.9Confident43 Ų4379 Ų7944%0.44341%0.409SS..G310 helixtrans74.53.1-178.300000115.1K53 G198 F199K53-G201 WeakPolarHBondContact CE-O 3.49Å; G198-G201 PolarHBondContact O-N 3.07Å; F199-G201 PolarHBondContact O-N 3.09Å
202Q70.5Confident79.7Confident113 Ų11368.9 Ų68.953%0.52837%0.371SS..SBendtrans-87.2161.7178.2-53.4-58.8-55.700111.3G198 F199 R200 K204G198-Q202 CarbonylContact C-O 3.53Å; G198-Q202 WeakPolarHBondContact CA-O 3.24Å; G198-Q202 PolarHBondContact N-O 2.92Å; F199-Q202 WeakPolarHBondContact O-CB 3.36Å; F199-Q202 PolarHBondContact O-N 2.89Å; R200-Q202 PolarHBondContact O-N 2.84Å; Q202-K204 HydrophobicContact CB-CB 4.39Å; Q202-K204 HydrophobicContact CB-CG 4.23Å; Q202-K204 PolarHBondContact O-N 3.05Å
203G70Confident79.6Confident33 Ų3368.6 Ų68.634%0.3437%0.369SS..SBendtrans-68.432167.500000114.5
204K75.8Confident79.6Confident143 Ų14367.4 Ų67.462%0.62236%0.357SS*.  trans-107.1144.4178.8-65.7-169.6177.3-168.20110.6T197 G198 F199 Q202T197-K204 CarbonylContact C-O 3.55Å; T197-K204 WeakPolarHBondContact CA-O 3.32Å; G198-K204 PolarHBondContact N-O 3.08Å; F199-K204 HydrophobicContact CB-CB 4.23Å; F199-K204 WeakPolarHBondContact CB-O 3.48Å; F199-K204 PolarHBondContact N-O 3.32Å; Q202-K204 HydrophobicContact CB-CB 4.39Å; Q202-K204 HydrophobicContact CB-CG 4.23Å; Q202-K204 PolarHBondContact O-N 3.05Å
205A80.5Confident79.6Confident63 Ų6366.7 Ų66.752%0.52135%0.354SS..  trans-66.4155.6179.700000114N196 F199N196-A205 WeakPolarHBondContact O-CA 3.22Å; N196-A205 VanDerWaalsContact O-CB 3.26Å; N196-A205 WeakPolarHBondContact O-CB 3.45Å; F199-A205 WeakPolarHBondContact CB-O 3.2Å
206F79.3Confident79.8Confident36 Ų3661.5 Ų61.516%0.15833%0.33CS..  trans-112.2126.8173.860.2-96000111.3F99 L137 N196 T197 K208 A209F99-F206 HydrophobicContact CB-CZ 4.32Å; F99-F206 HydrophobicContact CD1-CE2 4Å; F99-F206 AromaticContact CD1-CZ 3.62Å; F99-F206 HydrophobicContact CD1-CZ 3.62Å; F99-F206 AromaticContact CD2-CZ 3.92Å; F99-F206 HydrophobicContact CD2-CZ 3.92Å; F99-F206 AromaticContact CE1-CE2 3.96Å; F99-F206 HydrophobicContact CE1-CE2 3.96Å; F99-F206 AromaticContact CE1-CZ 3.84Å; F99-F206 HydrophobicContact CE1-CZ 3.84Å; F99-F206 HydrophobicContact CE2-CZ 4.15Å; F99-F206 HydrophobicContact CG-CE1 4.38Å; F99-F206 HydrophobicContact CG-CE2 4.49Å; F99-F206 AromaticContact CG-CZ 3.67Å; F99-F206 HydrophobicContact CG-CZ 3.67Å; F99-F206 HydrophobicContact CZ-CE2 4.42Å; F99-F206 HydrophobicContact CZ-CZ 4.1Å; L137-F206 HydrophobicContact CD2-CD2 4.39Å; L137-F206 HydrophobicContact CD2-CE2 4.01Å; N196-F206 HydrophobicContact CB-CD1 4.29Å; N196-F206 HydrophobicContact CB-CE1 3.72Å; N196-F206 HydrophobicContact CB-CZ 3.86Å; N196-F206 WeakPolarHBondContact ND2-CD1 3.38Å; N196-F206 WeakPolarHBondContact ND2-CD2 3.47Å; N196-F206 VanDerWaalsContact ND2-CE1 3.31Å; N196-F206 WeakPolarHBondContact ND2-CE1 3.22Å; N196-F206 VanDerWaalsContact ND2-CE2 3.31Å; N196-F206 WeakPolarHBondContact ND2-CE2 3.35Å; N196-F206 WeakPolarHBondContact ND2-CG 3.5Å; N196-F206 VanDerWaalsContact ND2-CZ 3.34Å; N196-F206 WeakPolarHBondContact ND2-CZ 3.42Å; N196-F206 PolarHBondContact ND2-N 3.1Å; N196-F206 PolarHBondContact ND2-O 3Å; T197-F206 WeakPolarHBondContact O-CE1 3.15Å; F206-K208 PolarHBondContact O-N 2.85Å; F206-A209 HydrophobicContact CE2-CB 3.89Å; F206-A209 HydrophobicContact CZ-CB 4.48Å
207A70.2Confident80.3Confident103 Ų10361 Ų6185%0.85133%0.327SS*.THydrogen-bonded Turntrans-78.840.5-16900000115
208K73.5Confident80.8Confident113 Ų11363.6 Ų63.649%0.49133%0.334SS..THydrogen-bonded Turntrans-143.914.5-176.7-64.5-167.5176.3-173.50115L137 F206 D210 R211L137-K208 HydrophobicContact CD1-CB 4.36Å; L137-K208 HydrophobicContact CD2-CB 3.93Å; L137-K208 WeakPolarHBondContact CD2-O 3.33Å; F206-K208 PolarHBondContact O-N 2.85Å; K208-D210 WeakPolarHBondContact CA-OD1 3.14Å; K208-D210 PolarHBondContact O-N 3.06Å; K208-R211 PolarHBondContact O-N 3.36Å
209A68.5Low81.6Confident5 Ų565.2 Ų65.24%0.04133%0.333CS..THydrogen-bonded Turntrans-70.4-16.9-176.700000113.8Y186 F206 R211Y186-A209 HydrophobicContact CD2-CB 3.37Å; Y186-A209 HydrophobicContact CE2-CB 3.45Å; Y186-A209 VanDerWaalsContact CE2-CB 3.45Å; Y186-A209 HydrophobicContact CG-CB 4.03Å; F206-A209 HydrophobicContact CE2-CB 3.89Å; F206-A209 HydrophobicContact CZ-CB 4.48Å; A209-R211 VanDerWaalsContact C-N 3.32Å
210D74Confident82.6Confident97 Ų9761.1 Ų61.152%0.51932%0.318SS..THydrogen-bonded Turntrans-61.3-36164.761.1-40.5000112.4K208 A212K208-D210 WeakPolarHBondContact CA-OD1 3.14Å; K208-D210 PolarHBondContact O-N 3.06Å; D210-A212 PolarHBondContact O-N 2.92Å
211R84.8Confident83.9Confident149 Ų14955.2 Ų55.256%0.56231%0.308SS*.SBendtrans-102.153.5-175.8-59.4176-152.9-153.40.7111.2L137 N138 K208 A209L137-R211 CarbonylContact C-O 3.6Å; L137-R211 WeakPolarHBondContact CA-O 3.4Å; N138-R211 VanDerWaalsContact CG-C 3.45Å; N138-R211 PolarHBondContact N-O 3.45Å; N138-R211 WeakPolarHBondContact ND2-CA 3.37Å; N138-R211 PolarHBondContact ND2-O 3.29Å; N138-R211 PolarHBondContact OD1-O 3.11Å; K208-R211 PolarHBondContact O-N 3.36Å; A209-R211 VanDerWaalsContact C-N 3.32Å
212A90.4Very high85.3Confident1 Ų158.1 Ų58.11%0.00831%0.308CS..EExtended strand (participates in β ladder)trans-124.2140.4-179.800000111.9F99 T135 L136 L137 N138 F184 D210F99-A212 HydrophobicContact CE1-CB 3.62Å; F99-A212 HydrophobicContact CZ-CB 3.84Å; T135-A212 HydrophobicContact CG2-CB 4.11Å; L136-A212 CarbonylContact O-C 3.54Å; L136-A212 VanDerWaalsContact O-CA 3.26Å; L136-A212 WeakPolarHBondContact O-CA 3.32Å; L137-A212 HydrophobicContact CD2-CB 4.4Å; N138-A212 VanDerWaalsContact OD1-C 3.25Å; F184-A212 HydrophobicContact CB-CB 3.8Å; F184-A212 HydrophobicContact CG-CB 4.49Å; F184-A212 PolarHBondContact N-O 2.89Å; D210-A212 PolarHBondContact O-N 2.92Å
213T91.2Very high86.6Confident8 Ų853 Ų535%0.04929%0.285CS..EExtended strand (participates in β ladder)trans-116.3133.5176.2-62.80000109.7T135 L136 N138 Y143 K181 L215T135-T213 WeakPolarHBondContact CA-O 3.4Å; L136-T213 PolarHBondContact N-O 2.96Å; L136-T213 PolarHBondContact O-N 3.04Å; N138-T213 WeakPolarHBondContact OD1-CB 3.19Å; N138-T213 PolarHBondContact OD1-N 2.99Å; N138-T213 VanDerWaalsContact OD1-N 3.09Å; N138-T213 PolarHBondContact OD1-OG1 3.43Å; Y143-T213 WeakPolarHBondContact OH-CB 3.26Å; Y143-T213 WeakPolarHBondContact OH-CG2 3.39Å; K181-T213 HydrophobicContact CD-CG2 4.26Å; K181-T213 HydrophobicContact CG-CG2 3.54Å; T213-L215 HydrophobicContact CG2-CD2 4.09Å; T213-L215 HydrophobicContact CG2-CG 4.33Å
214T94.5Very high87.8Confident1 Ų156.2 Ų56.21%0.00629%0.291CS..EExtended strand (participates in β ladder)trans-93.2121.3165.6-50.70000109.6A133 V134 T135 C182 W216A133-T214 HydrophobicContact CB-CG2 4.02Å; V134-T214 WeakPolarHBondContact O-CA 3.46Å; T135-T214 PolarHBondContact OG1-OG1 3.41Å; C182-T214 PolarHBondContact N-O 2.86Å; C182-T214 PolarHBondContact O-N 3.36Å; T214-W216 HydrophobicContact CG2-CZ2 4.23Å
215L95.2Very high88.6Confident0 Ų050.1 Ų50.10%027%0.265CS..EExtended strand (participates in β ladder)trans-100.2128.5175-65.1171.7000109.3A133 V134 Y143 P167 L168 L178 K181 T213 F217A133-L215 WeakPolarHBondContact CA-O 3.42Å; V134-L215 PolarHBondContact N-O 3.41Å; V134-L215 PolarHBondContact O-N 2.82Å; Y143-L215 HydrophobicContact CE1-CD1 4.46Å; Y143-L215 HydrophobicContact CE1-CD2 4.08Å; P167-L215 HydrophobicContact CB-CD1 3.98Å; P167-L215 HydrophobicContact CG-CD1 3.52Å; L168-L215 HydrophobicContact CD2-CD1 3.93Å; L168-L215 HydrophobicContact CD2-CD2 4.31Å; L178-L215 HydrophobicContact CD1-CB 3.76Å; L178-L215 HydrophobicContact CD1-CD2 3.78Å; L178-L215 HydrophobicContact CD1-CG 4.33Å; L178-L215 HydrophobicContact CD2-CD2 4.37Å; K181-L215 HydrophobicContact CB-CD2 4.17Å; K181-L215 HydrophobicContact CD-CD2 4.45Å; K181-L215 HydrophobicContact CG-CD2 4.06Å; T213-L215 HydrophobicContact CG2-CD2 4.09Å; T213-L215 HydrophobicContact CG2-CG 4.33Å; L215-F217 HydrophobicContact CB-CD2 4.44Å; L215-F217 HydrophobicContact CB-CE2 3.47Å; L215-F217 VanDerWaalsContact CB-CE2 3.47Å; L215-F217 HydrophobicContact CB-CZ 3.69Å; L215-F217 HydrophobicContact CD1-CZ 4.22Å
216W96.5Very high89.2Confident4 Ų453.8 Ų53.82%0.01528%0.276CS..EExtended strand (participates in β ladder)trans-112.5122.3-176.3-65.379.1000110.5F94 V131 V132 A133 L178 F179 K180 C182 T214 I427 F431F94-W216 HydrophobicContact CD1-CZ3 4.31Å; V131-W216 HydrophobicContact CG2-CE3 4.12Å; V131-W216 HydrophobicContact CG2-CZ3 4.19Å; V132-W216 WeakPolarHBondContact O-CA 3.32Å; A133-W216 HydrophobicContact CB-CD2 4.08Å; A133-W216 HydrophobicContact CB-CE3 3.92Å; A133-W216 HydrophobicContact CB-CH2 4.03Å; A133-W216 HydrophobicContact CB-CZ2 4.2Å; A133-W216 HydrophobicContact CB-CZ3 3.9Å; L178-W216 WeakPolarHBondContact CD1-O 3.48Å; F179-W216 HydrophobicContact CD1-CB 4.32Å; F179-W216 VanDerWaalsContact CD1-O 3.28Å; F179-W216 WeakPolarHBondContact CD1-O 3.25Å; F179-W216 HydrophobicContact CE1-CB 3.74Å; F179-W216 HydrophobicContact CE2-CB 4.31Å; F179-W216 HydrophobicContact CZ-CB 3.74Å; F179-W216 HydrophobicContact CZ-CE3 4.42Å; F179-W216 PolarHBondContact N-O 2.77Å; K180-W216 HydrophobicContact CB-CB 3.91Å; K180-W216 HydrophobicContact CB-CG 4.27Å; K180-W216 HydrophobicContact CD-CG 4.07Å; K180-W216 HydrophobicContact CG-CB 4.38Å; K180-W216 HydrophobicContact CG-CG 4.2Å; K180-W216 PolarHBondContact N-O 3.48Å; K180-W216 WeakPolarHBondContact O-CB 3.44Å; K180-W216 PolarHBondContact O-N 3.42Å; C182-W216 PolarHBondContact SG-NE1 3.49Å; C182-W216 VanDerWaalsContact SG-NE1 3.41Å; T214-W216 HydrophobicContact CG2-CZ2 4.23Å; W216-I427 HydrophobicContact CH2-CG2 3.39Å; W216-I427 HydrophobicContact CZ2-CG2 4.04Å; W216-I427 HydrophobicContact CZ3-CG2 3.68Å; W216-F431 HydrophobicContact CH2-CD2 4.14Å; W216-F431 AromaticContact CH2-CE2 3.53Å; W216-F431 HydrophobicContact CH2-CE2 3.53Å; W216-F431 AromaticContact CH2-CZ 3.88Å; W216-F431 HydrophobicContact CH2-CZ 3.88Å; W216-F431 HydrophobicContact CZ2-CD1 4.39Å; W216-F431 AromaticContact CZ2-CD2 3.79Å; W216-F431 HydrophobicContact CZ2-CD2 3.79Å; W216-F431 HydrophobicContact CZ2-CE1 4.18Å; W216-F431 AromaticContact CZ2-CE2 3.54Å; W216-F431 HydrophobicContact CZ2-CE2 3.54Å; W216-F431 HydrophobicContact CZ2-CG 4.24Å; W216-F431 AromaticContact CZ2-CZ 3.77Å; W216-F431 HydrophobicContact CZ2-CZ 3.77Å
217F97.7Very high89.8Confident0 Ų053.1 Ų53.10%028%0.275CS..EExtended strand (participates in β ladder)trans-119.4147.1-175.4-53.3-94.4000111F119 V131 V132 V134 P167 L168 A171 F176 V177 L178 L215F119-F217 HydrophobicContact CE1-CB 4.3Å; F119-F217 HydrophobicContact CE1-CD1 4.46Å; F119-F217 AromaticContact CE1-CD2 3.69Å; F119-F217 HydrophobicContact CE1-CD2 3.69Å; F119-F217 HydrophobicContact CE1-CE2 4.06Å; F119-F217 AromaticContact CE1-CG 3.91Å; F119-F217 HydrophobicContact CE1-CG 3.91Å; F119-F217 HydrophobicContact CZ-CD1 4.44Å; F119-F217 AromaticContact CZ-CD2 3.74Å; F119-F217 HydrophobicContact CZ-CD2 3.74Å; F119-F217 HydrophobicContact CZ-CE1 4.31Å; F119-F217 AromaticContact CZ-CE2 3.59Å; F119-F217 HydrophobicContact CZ-CE2 3.59Å; F119-F217 HydrophobicContact CZ-CG 4.17Å; F119-F217 AromaticContact CZ-CZ 3.89Å; F119-F217 HydrophobicContact CZ-CZ 3.89Å; V131-F217 CarbonylContact C-O 3.57Å; V131-F217 WeakPolarHBondContact CA-O 3.38Å; V131-F217 WeakPolarHBondContact CB-O 3.23Å; V132-F217 HydrophobicContact CB-CB 4.41Å; V132-F217 PolarHBondContact N-O 3.29Å; V132-F217 PolarHBondContact O-N 3.41Å; V134-F217 HydrophobicContact CB-CE2 4.3Å; V134-F217 HydrophobicContact CG2-CD2 4.47Å; V134-F217 HydrophobicContact CG2-CE2 4.11Å; P167-F217 HydrophobicContact CB-CZ 4.5Å; L168-F217 HydrophobicContact CD2-CE1 3.61Å; L168-F217 HydrophobicContact CD2-CZ 3.73Å; A171-F217 HydrophobicContact CB-CD1 3.44Å; A171-F217 VanDerWaalsContact CB-CD1 3.44Å; A171-F217 HydrophobicContact CB-CE1 3.39Å; A171-F217 HydrophobicContact CB-CG 4.25Å; A171-F217 HydrophobicContact CB-CZ 4.17Å; F176-F217 HydrophobicContact CB-CB 4.21Å; F176-F217 HydrophobicContact CD1-CB 4.1Å; V177-F217 VanDerWaalsContact O-CA 3.25Å; V177-F217 WeakPolarHBondContact O-CA 3.03Å; L178-F217 HydrophobicContact CB-CD1 4.08Å; L178-F217 HydrophobicContact CB-CE1 4.05Å; L178-F217 HydrophobicContact CD1-CD1 4.09Å; L178-F217 HydrophobicContact CD1-CE1 3.77Å; L178-F217 HydrophobicContact CD1-CE2 4.34Å; L178-F217 HydrophobicContact CD1-CZ 3.91Å; L215-F217 HydrophobicContact CB-CD2 4.44Å; L215-F217 HydrophobicContact CB-CE2 3.47Å; L215-F217 VanDerWaalsContact CB-CE2 3.47Å; L215-F217 HydrophobicContact CB-CZ 3.69Å; L215-F217 HydrophobicContact CD1-CZ 4.22Å
218R96.1Very high90.5Very high79 Ų7954.7 Ų54.730%0.29827%0.269SS..EExtended strand (participates in β ladder)trans-118.8156169.763.4176.7-173.9175.75109V131 F176 V177 F179V131-R218 HydrophobicContact CG1-CB 4.33Å; F176-R218 WeakPolarHBondContact CA-O 3.5Å; F176-R218 WeakPolarHBondContact CD1-O 3.21Å; V177-R218 HydrophobicContact CG2-CG 3.8Å; V177-R218 PolarHBondContact N-O 3.39Å; V177-R218 PolarHBondContact O-N 3.19Å; F179-R218 HydrophobicContact CD1-CB 3.94Å; F179-R218 HydrophobicContact CD1-CG 4.11Å; F179-R218 HydrophobicContact CE1-CB 4.29Å
219Q95.6Very high91.2Very high64 Ų6449.9 Ų49.930%0.29925%0.249SC..EExtended strand (participates in β ladder)trans-61.1146.9167.1-70.6-178.6-45.800110.1C123 L126 G175 F176C123-Q219 PolarHBondContact O-NE2 3.13Å; C123-Q219 VanDerWaalsContact O-NE2 3.15Å; L126-Q219 HydrophobicContact CD1-CG 4.01Å; G175-Q219 WeakPolarHBondContact O-CA 3.3Å; F176-Q219 HydrophobicContact CD1-CG 4.2Å; F176-Q219 HydrophobicContact CE1-CG 3.55Å; F176-Q219 HydrophobicContact CZ-CG 3.75Å
220A94.9Very high92Very high15 Ų1551.4 Ų51.412%0.12426%0.259CS..  trans-152.3146.5174.600000110.1G175 V177G175-A220 CarbonylContact C-O 3.53Å; G175-A220 PolarHBondContact O-N 3.45Å; G175-A220 VanDerWaalsContact O-O 3.05Å; V177-A220 HydrophobicContact CB-CB 4.36Å; V177-A220 HydrophobicContact CG1-CB 3.85Å; V177-A220 HydrophobicContact CG2-CB 3.73Å
221P95.6Very high92.5Very high90 Ų9054.6 Ų54.658%0.58427%0.271SS*.PPolyproline II helixtrans-57.8146.2172.121.8-29.5000111.1H312 A313P221-H312 WeakPolarHBondContact O-CA 3.35Å; P221-A313 PolarHBondContact O-N 3.24Å
222F97.3Very high92.6Very high104 Ų10450.2 Ų50.246%0.45626%0.26SS..BIsolated β-bridgetrans-59.6145.8168.1-75.1-76.1000110.3A313 T315 L318F222-A313 WeakPolarHBondContact CA-O 3.29Å; F222-A313 HydrophobicContact CD1-CB 3.8Å; F222-A313 WeakPolarHBondContact CD1-O 3.43Å; F222-A313 HydrophobicContact CE1-CB 4.11Å; F222-A313 HydrophobicContact CG-CB 4.37Å; F222-T315 HydrophobicContact CD1-CG2 4.06Å; F222-T315 HydrophobicContact CE1-CG2 3.88Å; F222-L318 HydrophobicContact CB-CD1 4.08Å; F222-L318 HydrophobicContact CD1-CD1 4.1Å
223A97Very high92.6Very high6 Ų653.7 Ų53.75%0.0528%0.279CS..PPolyproline II helixtrans-60.9143.7-179.900000111.5F270 H312 A313 L314 L318 F322A223-F270 HydrophobicContact CB-CD1 4.42Å; A223-F270 HydrophobicContact CB-CE1 3.65Å; A223-F270 HydrophobicContact CB-CZ 3.89Å; A223-H312 HydrophobicContact CB-CB 3.91Å; A223-A313 PolarHBondContact N-O 3.27Å; A223-A313 VanDerWaalsContact N-O 3.08Å; A223-L314 HydrophobicContact CB-CB 4.21Å; A223-L314 HydrophobicContact CB-CD1 3.79Å; A223-L318 HydrophobicContact CB-CD1 4.31Å; A223-F322 HydrophobicContact CB-CE2 4.02Å; A223-F322 HydrophobicContact CB-CZ 4.14Å; A223-F322 WeakPolarHBondContact O-CZ 3.45Å
224H95.2Very high92.6Very high100 Ų10053.4 Ų53.446%0.46328%0.277SS..  trans-139.5152.3169-178.6-112.1000108.3L226 S227 F270H224-L226 PolarHBondContact ND1-N 3.06Å; H224-L226 PolarHBondContact O-N 3.03Å; H224-L226 VanDerWaalsContact O-N 3.15Å; H224-S227 PolarHBondContact N-OG 3Å; H224-S227 WeakPolarHBondContact O-CB 3.49Å; H224-S227 PolarHBondContact O-N 3Å; H224-S227 PolarHBondContact O-OG 3.48Å; H224-F270 WeakPolarHBondContact O-CE2 3.21Å
225L93.8Very high92.6Very high14 Ų1453.5 Ų53.57%0.07328%0.278CS..THydrogen-bonded Turntrans-64.9-21.1-176-72.5179.4000114F266 N268 W307 F322 Q325L225-F266 HydrophobicContact CD1-CE1 3.75Å; L225-F266 HydrophobicContact CD1-CZ 4.04Å; L225-N268 WeakPolarHBondContact O-CB 3.46Å; L225-W307 HydrophobicContact CD2-CZ3 4.33Å; L225-F322 HydrophobicContact CD1-CB 4.42Å; L225-F322 HydrophobicContact CD1-CD1 4.17Å; L225-F322 HydrophobicContact CD1-CG 4.35Å; L225-F322 HydrophobicContact CD2-CB 3.98Å; L225-F322 HydrophobicContact CD2-CD1 4.06Å; L225-F322 HydrophobicContact CD2-CD2 3.72Å; L225-F322 HydrophobicContact CD2-CE2 4.2Å; L225-F322 HydrophobicContact CD2-CG 3.65Å; L225-F322 HydrophobicContact CG-CB 4.4Å; L225-F322 HydrophobicContact CG-CD1 3.75Å; L225-F322 HydrophobicContact CG-CD2 4.3Å; L225-F322 HydrophobicContact CG-CE1 4.07Å; L225-F322 HydrophobicContact CG-CG 3.89Å; L225-F322 HydrophobicContact CG-CZ 4.47Å; L225-Q325 HydrophobicContact CD1-CB 4.24Å
226L92.8Very high92.4Very high141 Ų14153.6 Ų53.674%0.73828%0.278SS*.THydrogen-bonded Turntrans-90.74.8172.4-53.3179.8000113.8H224H224-L226 PolarHBondContact ND1-N 3.06Å; H224-L226 PolarHBondContact O-N 3.03Å; H224-L226 VanDerWaalsContact O-N 3.15Å
227S90.7Very high92Very high22 Ų2255.8 Ų55.815%0.15429%0.286CS..SBendtrans-77.5133.6176.7-68.80000111.1H224 E229 N268 H312H224-S227 PolarHBondContact N-OG 3Å; H224-S227 WeakPolarHBondContact O-CB 3.49Å; H224-S227 PolarHBondContact O-N 3Å; H224-S227 PolarHBondContact O-OG 3.48Å; S227-E229 PolarHBondContact O-N 3.24Å; S227-N268 PolarHBondContact O-ND2 3.27Å; S227-H312 WeakPolarHBondContact CB-NE2 3.39Å
228N85.9Confident91.6Very high136 Ų13656.1 Ų56.173%0.72729%0.288SS*.  trans-70.292.1178.3-67.9-8000111.6H312N228-H312 PolarHBondContact O-CE1 3.18Å
229E88.5Confident91.4Very high12 Ų1252.6 Ų52.66%0.05627%0.274CS..  trans-85.6162.1171.6-166.454-135.400111.2S227 E231 F270 S309 R310 L311 H312S227-E229 PolarHBondContact O-N 3.24Å; E229-E231 PolarHBondContact O-N 2.97Å; E229-F270 HydrophobicContact CB-CD1 4.42Å; E229-F270 HydrophobicContact CB-CD2 4.32Å; E229-F270 HydrophobicContact CB-CE1 4.19Å; E229-F270 HydrophobicContact CB-CE2 4.07Å; E229-F270 HydrophobicContact CB-CG 4.49Å; E229-F270 HydrophobicContact CB-CZ 4Å; E229-F270 HydrophobicContact CG-CD1 4.16Å; E229-F270 HydrophobicContact CG-CE1 4.1Å; E229-F270 HydrophobicContact CG-CZ 4.42Å; E229-F270 WeakPolarHBondContact OE2-CE1 3.13Å; E229-S309 PolarHBondContact OE1-OG 3.44Å; E229-S309 WeakPolarHBondContact OE2-CB 3.48Å; E229-S309 PolarHBondContact OE2-OG 3.35Å; E229-R310 PolarHBondContact OE1-N 2.85Å; E229-L311 PolarHBondContact OE1-N 3.08Å; E229-H312 IonicContact OE2-CE1 3.54Å; E229-H312 IonicContact OE2-CG 3.95Å; E229-H312 IonicContact OE2-ND1 2.62Å; E229-H312 PolarHBondContact OE2-ND1 3.45Å
230S83.6Confident91.4Very high36 Ų3650 Ų5025%0.25226%0.264SS..  trans-59.9137.1177.2-162.90000111.6T232 K272S230-T232 PolarHBondContact O-N 2.76Å; S230-T232 PolarHBondContact OG-OG1 3.21Å; S230-K272 PolarHBondContact O-NZ 2.66Å
231E85.4Confident91.5Very high164 Ų16450.6 Ų50.677%0.76626%0.263SS*.SBendtrans-66.4-14.9173.4-63.5179.9168.200113.2E229 L233E229-E231 PolarHBondContact O-N 2.97Å; E231-L233 PolarHBondContact O-N 3.34Å
232T87.6Confident91.6Very high57 Ų5747.4 Ų47.435%0.3524%0.24SC..  trans-56.3120.5176.5-350000111.2W153 S230 K272W153-T232 HydrophobicContact CB-CG2 4.03Å; W153-T232 HydrophobicContact CD2-CG2 3.76Å; W153-T232 HydrophobicContact CE3-CG2 4.3Å; W153-T232 HydrophobicContact CG-CG2 3.63Å; S230-T232 PolarHBondContact O-N 2.76Å; S230-T232 PolarHBondContact OG-OG1 3.21Å; T232-K272 VanDerWaalsContact O-CD 3.29Å; T232-K272 WeakPolarHBondContact O-CD 3.1Å; T232-K272 WeakPolarHBondContact O-CE 3.35Å; T232-K272 PolarHBondContact O-NZ 3.09Å
233L89.2Confident91.6Very high75 Ų7545.4 Ų45.439%0.39324%0.237SC..  trans-93.8174.4171.1-60.4-179.1000111E231 F264 N269E231-L233 PolarHBondContact O-N 3.34Å; L233-F264 HydrophobicContact CD1-CD2 4.23Å; L233-F264 HydrophobicContact CD1-CE1 4.34Å; L233-F264 HydrophobicContact CD1-CE2 4.02Å; L233-F264 HydrophobicContact CD1-CZ 4.08Å; L233-F264 HydrophobicContact CD2-CD1 3.84Å; L233-F264 HydrophobicContact CD2-CE1 3.86Å; L233-F264 HydrophobicContact CD2-CG 4.4Å; L233-F264 HydrophobicContact CD2-CZ 4.41Å; L233-N269 HydrophobicContact CD2-CB 4.4Å
234G92.2Very high91.6Very high2 Ų246.2 Ų46.22%0.02124%0.241CC..SBendtrans78.2166.4-164.400000111.3W153 K272W153-G234 VanDerWaalsContact CE3-O 3.31Å; G234-K272 WeakPolarHBondContact CA-O 3.33Å; G234-K272 PolarHBondContact N-O 3.06Å; G234-K272 WeakPolarHBondContact O-CB 3.39Å
235L93.3Very high91.6Very high2 Ų245 Ų451%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-95137.1-178.3-69.4167.3000111.8W153 G154 L157 P158 F241 K272 L273 Y306 Q308W153-L235 WeakPolarHBondContact CA-O 3.15Å; G154-L235 PolarHBondContact N-O 3.18Å; G154-L235 VanDerWaalsContact N-O 3.16Å; G154-L235 PolarHBondContact O-N 3.36Å; L157-L235 HydrophobicContact CD2-CD1 3.78Å; P158-L235 HydrophobicContact CG-CB 4.02Å; L235-F241 HydrophobicContact CD2-CB 4.24Å; L235-K272 HydrophobicContact CD2-CB 3.77Å; L235-K272 HydrophobicContact CG-CB 4.48Å; L235-L273 HydrophobicContact CD1-CB 4.33Å; L235-L273 HydrophobicContact CD1-CD2 3.99Å; L235-L273 HydrophobicContact CG-CB 4.17Å; L235-L273 HydrophobicContact CG-CD2 4.46Å; L235-Y306 HydrophobicContact CD1-CD1 3.81Å; L235-Y306 HydrophobicContact CD1-CG 3.95Å; L235-Q308 HydrophobicContact CD2-CB 3.99Å
236H91.8Very high91.6Very high2 Ų244.7 Ų44.71%0.00924%0.235CC..EExtended strand (participates in β ladder)trans-79.3135.3169.7-161.3-109.8000111.1W150 Q152 W153 P158 W238 F239 Q308W150-H236 PolarHBondContact O-NE2 2.85Å; Q152-H236 PolarHBondContact N-NE2 3.05Å; Q152-H236 WeakPolarHBondContact O-CA 3.2Å; Q152-H236 PolarHBondContact O-CD2 2.86Å; W153-H236 AromaticContact CD1-CD2 3.92Å; W153-H236 HydrophobicContact CD2-CB 3.96Å; W153-H236 AromaticContact CD2-CD2 3.88Å; W153-H236 AromaticContact CE2-CD2 3.71Å; W153-H236 HydrophobicContact CE3-CB 3.75Å; W153-H236 HydrophobicContact CH2-CB 4.01Å; W153-H236 HydrophobicContact CZ2-CB 4.2Å; W153-H236 HydrophobicContact CZ3-CB 3.77Å; W153-H236 AromaticContact NE1-CD2 3.7Å; P158-H236 VanDerWaalsContact CG-O 3.25Å; P158-H236 WeakPolarHBondContact CG-O 3.35Å; H236-W238 AromaticContact CE1-CE3 3.86Å; H236-W238 PolarHBondContact O-N 3.29Å; H236-F239 HydrophobicContact CB-CD2 3.5Å; H236-F239 HydrophobicContact CB-CE2 4.02Å; H236-F239 HydrophobicContact CB-CG 4.41Å; H236-F239 AromaticContact CE1-CE2 3.63Å; H236-F239 AromaticContact CE1-CZ 4Å; H236-F239 AromaticContact CG-CD2 3.5Å; H236-F239 AromaticContact CG-CE2 3.51Å; H236-F239 AromaticContact ND1-CD2 3.24Å; H236-F239 WeakPolarHBondContact ND1-CD2 3.42Å; H236-F239 AromaticContact ND1-CE2 3.07Å; H236-F239 WeakPolarHBondContact ND1-CE2 3.16Å; H236-F239 AromaticContact ND1-CG 3.98Å; H236-F239 AromaticContact ND1-CZ 3.72Å; H236-Q308 PolarHBondContact O-NE2 3.4Å
237R88.6Confident91.5Very high51 Ų5140 Ų4019%0.19221%0.214CC..SBendtrans-60.8-12.2-173.7-68.5-172.2-173.6-87-4.5116.7Q152 E156 H160Q152-R237 HydrophobicContact CB-CG 4.12Å; Q152-R237 PolarHBondContact O-N 3.33Å; E156-R237 VanDerWaalsContact CD-NH2 3.32Å; E156-R237 IonicContact OE1-NH2 3.73Å; E156-R237 PolarHBondContact OE1-NH2 3.34Å; E156-R237 IonicContact OE2-CZ 2.71Å; E156-R237 IonicContact OE2-NH1 3.34Å; E156-R237 PolarHBondContact OE2-NH1 3.13Å; E156-R237 IonicContact OE2-NH2 3.62Å; E156-R237 PolarHBondContact OE2-NH2 3.3Å; H160-R237 PolarHBondContact NE2-O 3.11Å
238W88.3Confident91.4Very high7 Ų739 Ų393%0.02721%0.207CC..SBendtrans-128.5-19.7-177.4-54.7-41.3000116.4Y143 Q147 R149 W150 H160 L168 H236Y143-W238 AromaticContact CG-CD1 3.99Å; Q147-W238 WeakPolarHBondContact O-CZ2 3.36Å; R149-W238 WeakPolarHBondContact O-CH2 3.31Å; W150-W238 HydrophobicContact CB-CH2 3.83Å; W150-W238 HydrophobicContact CB-CZ3 3.65Å; W150-W238 HydrophobicContact CD2-CE3 4.27Å; W150-W238 AromaticContact CD2-CZ3 3.59Å; W150-W238 HydrophobicContact CD2-CZ3 3.59Å; W150-W238 AromaticContact CE3-CE3 3.64Å; W150-W238 HydrophobicContact CE3-CE3 3.64Å; W150-W238 HydrophobicContact CE3-CH2 4.11Å; W150-W238 AromaticContact CE3-CZ3 3.17Å; W150-W238 HydrophobicContact CE3-CZ3 3.17Å; W150-W238 AromaticContact CG-CZ3 3.85Å; W150-W238 HydrophobicContact CG-CZ3 3.85Å; W150-W238 AromaticContact CZ3-CE3 3.83Å; W150-W238 HydrophobicContact CZ3-CE3 3.83Å; W150-W238 AromaticContact CZ3-CZ3 3.87Å; W150-W238 HydrophobicContact CZ3-CZ3 3.87Å; W150-W238 WeakPolarHBondContact O-CZ3 3.46Å; H160-W238 PolarHBondContact CE1-O 3.41Å; H160-W238 PolarHBondContact NE2-O 3Å; L168-W238 HydrophobicContact CD1-CB 4.23Å; L168-W238 WeakPolarHBondContact CD1-O 3.49Å; H236-W238 AromaticContact CE1-CE3 3.86Å; H236-W238 PolarHBondContact O-N 3.29Å
239F93.1Very high91.3Very high4 Ų435.4 Ų35.42%0.01818%0.184CC..SBendtrans-75.1145.8-174.4-61.5-50.9000112H160 L178 H236 F241 Q308 S309 R310H160-F239 PolarHBondContact CE1-O 2.81Å; L178-F239 HydrophobicContact CB-CE1 4.27Å; L178-F239 WeakPolarHBondContact O-CE1 3.34Å; H236-F239 HydrophobicContact CB-CD2 3.5Å; H236-F239 HydrophobicContact CB-CE2 4.02Å; H236-F239 HydrophobicContact CB-CG 4.41Å; H236-F239 AromaticContact CE1-CE2 3.63Å; H236-F239 AromaticContact CE1-CZ 4Å; H236-F239 AromaticContact CG-CD2 3.5Å; H236-F239 AromaticContact CG-CE2 3.51Å; H236-F239 AromaticContact ND1-CD2 3.24Å; H236-F239 WeakPolarHBondContact ND1-CD2 3.42Å; H236-F239 AromaticContact ND1-CE2 3.07Å; H236-F239 WeakPolarHBondContact ND1-CE2 3.16Å; H236-F239 AromaticContact ND1-CG 3.98Å; H236-F239 AromaticContact ND1-CZ 3.72Å; F239-F241 PolarHBondContact O-N 3.13Å; F239-Q308 HydrophobicContact CB-CG 3.9Å; F239-Q308 PolarHBondContact O-NE2 3.25Å; F239-S309 WeakPolarHBondContact CB-O 3.4Å; F239-R310 HydrophobicContact CD2-CB 3.79Å; F239-R310 HydrophobicContact CD2-CG 4.15Å; F239-R310 HydrophobicContact CE2-CB 3.64Å; F239-R310 HydrophobicContact CE2-CG 3.48Å; F239-R310 VanDerWaalsContact CE2-CG 3.48Å; F239-R310 HydrophobicContact CZ-CB 4.27Å; F239-R310 HydrophobicContact CZ-CG 3.71Å
240P95.5Very high91.3Very high11 Ų1135.1 Ų35.17%0.07118%0.183CC..  trans-52.5112.4177.1-30.738.7000112.5L168 Y169 Y242L168-P240 HydrophobicContact CB-CG 3.99Å; L168-P240 VanDerWaalsContact O-CG 3.29Å; L168-P240 WeakPolarHBondContact O-CG 3.21Å; Y169-P240 HydrophobicContact CD1-CB 3.76Å; Y169-P240 HydrophobicContact CD1-CG 4.49Å; Y169-P240 HydrophobicContact CD2-CB 4.4Å; Y169-P240 HydrophobicContact CD2-CG 4.45Å; Y169-P240 HydrophobicContact CE1-CB 3.68Å; Y169-P240 HydrophobicContact CE2-CB 4.32Å; Y169-P240 HydrophobicContact CG-CB 4.14Å; Y169-P240 HydrophobicContact CG-CG 4.39Å; P240-Y242 HydrophobicContact CB-CE2 4.28Å
241F96.1Very high91.4Very high27 Ų2737.2 Ų37.212%0.11819%0.188CC..EExtended strand (participates in β ladder)trans-112150.5175.480-84.1000111.7P158 H160 Y169 L235 F239 P243 Y306 W307 Q308P158-F241 HydrophobicContact CB-CD1 3.93Å; P158-F241 HydrophobicContact CB-CE1 3.68Å; P158-F241 HydrophobicContact CG-CD1 3.87Å; P158-F241 HydrophobicContact CG-CE1 3.99Å; P158-F241 WeakPolarHBondContact O-CE1 3.17Å; H160-F241 HydrophobicContact CB-CE1 4.09Å; H160-F241 AromaticContact CG-CE1 3.89Å; H160-F241 AromaticContact ND1-CD1 3.53Å; H160-F241 AromaticContact ND1-CE1 3.49Å; H160-F241 WeakPolarHBondContact ND1-CE1 3.39Å; Y169-F241 WeakPolarHBondContact CE1-O 3.38Å; Y169-F241 WeakPolarHBondContact OH-CD1 3.45Å; Y169-F241 PolarHBondContact OH-N 3.22Å; Y169-F241 VanDerWaalsContact OH-N 3.09Å; Y169-F241 PolarHBondContact OH-O 3.5Å; L235-F241 HydrophobicContact CD2-CB 4.24Å; F239-F241 PolarHBondContact O-N 3.13Å; F241-P243 HydrophobicContact CE2-CG 4.27Å; F241-Y306 HydrophobicContact CD2-CD1 4.03Å; F241-Y306 HydrophobicContact CE2-CD1 4.18Å; F241-Y306 HydrophobicContact CE2-CE1 4.43Å; F241-W307 CarbonylContact C-O 3.57Å; F241-W307 VanDerWaalsContact CA-O 3.24Å; F241-W307 WeakPolarHBondContact CA-O 3.41Å; F241-Q308 HydrophobicContact CB-CB 3.97Å; F241-Q308 HydrophobicContact CB-CG 4.13Å
242Y97.4Very high91.3Very high23 Ų2335.9 Ų35.99%0.0918%0.176CC..EExtended strand (participates in β ladder)trans-131.8104.2-178.2-51.5-81.7000109.6Y169 P240 W307 L314 K316 A319Y169-Y242 AromaticContact CD1-CE1 3.77Å; Y169-Y242 HydrophobicContact CD1-CE1 3.77Å; Y169-Y242 AromaticContact CD1-CZ 3.89Å; Y169-Y242 HydrophobicContact CE1-CD1 4.3Å; Y169-Y242 AromaticContact CE1-CE1 3.68Å; Y169-Y242 HydrophobicContact CE1-CE1 3.68Å; Y169-Y242 AromaticContact CE1-CZ 3.91Å; P240-Y242 HydrophobicContact CB-CE2 4.28Å; Y242-W307 PolarHBondContact N-O 2.74Å; Y242-W307 PolarHBondContact O-N 3.2Å; Y242-L314 HydrophobicContact CD2-CD2 3.95Å; Y242-L314 HydrophobicContact CD2-CG 4.13Å; Y242-L314 HydrophobicContact CE2-CB 4.43Å; Y242-L314 HydrophobicContact CE2-CD2 4.09Å; Y242-L314 HydrophobicContact CE2-CG 3.9Å; Y242-L314 VanDerWaalsContact CE2-O 3.23Å; Y242-L314 WeakPolarHBondContact CE2-O 3.29Å; Y242-L314 PolarHBondContact OH-O 3.14Å; Y242-K316 HydrophobicContact CD1-CB 3.76Å; Y242-K316 HydrophobicContact CD1-CG 3.96Å; Y242-K316 HydrophobicContact CE1-CB 3.68Å; Y242-K316 HydrophobicContact CE1-CG 4.38Å; Y242-A319 HydrophobicContact CD2-CB 4.09Å; Y242-A319 HydrophobicContact CG-CB 4.16Å
243P97Very high91.2Very high61 Ų6137.8 Ų37.840%0.39619%0.191SC..EExtended strand (participates in β ladder)trans-76.1123.8171.328.6-29.3000109.9F241 R304 L305 Y306F241-P243 HydrophobicContact CE2-CG 4.27Å; P243-R304 HydrophobicContact CB-CG 4.03Å; P243-L305 WeakPolarHBondContact CA-O 3.4Å; P243-Y306 HydrophobicContact CB-CD1 3.86Å; P243-Y306 HydrophobicContact CB-CE1 3.79Å
244L97.5Very high90.9Very high24 Ų2435 Ų3513%0.12618%0.177CC..EExtended strand (participates in β ladder)trans-131130.1178.4-62.3178.9000110.4L305 A319 N320 Q323L244-L305 PolarHBondContact N-O 3.13Å; L244-L305 PolarHBondContact O-N 3.15Å; L244-A319 VanDerWaalsContact CD1-C 3.46Å; L244-A319 HydrophobicContact CD1-CB 3.92Å; L244-A319 VanDerWaalsContact CD1-O 3.3Å; L244-A319 WeakPolarHBondContact CD1-O 3.19Å; L244-N320 WeakPolarHBondContact CD1-OD1 3.33Å; L244-N320 VanDerWaalsContact CD2-OD1 3.32Å; L244-N320 WeakPolarHBondContact CD2-OD1 3.23Å; L244-Q323 VanDerWaalsContact C-NE2 3.31Å; L244-Q323 HydrophobicContact CB-CG 4.45Å; L244-Q323 HydrophobicContact CD1-CB 4.08Å; L244-Q323 PolarHBondContact O-NE2 2.92Å
245D96Very high90.6Very high74 Ų7438.7 Ų38.740%0.39620%0.196SC..EExtended strand (participates in β ladder)trans-90.5147.5-177.3-62.6-33.8000112I303 R304 Q323D245-I303 CarbonylContact C-O 3.59Å; D245-I303 WeakPolarHBondContact CA-O 3.19Å; D245-R304 VanDerWaalsContact OD1-CB 3.23Å; D245-R304 WeakPolarHBondContact OD1-CB 3.36Å; D245-R304 WeakPolarHBondContact OD1-CG 3.25Å; D245-R304 IonicContact OD1-CZ 3.87Å; D245-R304 IonicContact OD1-NE 3.38Å; D245-R304 PolarHBondContact OD1-NE 2.99Å; D245-R304 IonicContact OD1-NH2 2.68Å; D245-R304 PolarHBondContact OD1-NH2 3.26Å; D245-R304 IonicContact OD2-CZ 2.65Å; D245-R304 IonicContact OD2-NE 2.7Å; D245-R304 IonicContact OD2-NH2 3.47Å; D245-R304 PolarHBondContact OD2-NH2 3.02Å; D245-Q323 VanDerWaalsContact C-NE2 3.3Å; D245-Q323 PolarHBondContact O-NE2 3.46Å
246M92.4Very high90.5Very high7 Ų742.2 Ų42.23%0.03421%0.212CC..EExtended strand (participates in β ladder)trans-141.3128.5177.4179.8163.262.800109.4I263 I303 L305 L326 K327 L330M246-I263 HydrophobicContact CE-CD1 4.3Å; M246-I303 HydrophobicContact CB-CG1 4.32Å; M246-I303 HydrophobicContact CE-CD1 4.03Å; M246-I303 HydrophobicContact CE-CG1 4.45Å; M246-I303 PolarHBondContact N-O 2.85Å; M246-I303 PolarHBondContact O-N 3.39Å; M246-L305 HydrophobicContact CE-CD1 3.87Å; M246-L326 HydrophobicContact CE-CD2 4.09Å; M246-L326 HydrophobicContact CE-CG 4.49Å; M246-K327 HydrophobicContact CG-CG 4.36Å; M246-K327 HydrophobicContact SD-CG 3.61Å; M246-L330 HydrophobicContact CE-CD1 3.55Å; M246-L330 HydrophobicContact SD-CD1 4.26Å
247S90.6Very high90.5Very high42 Ų4244.8 Ų44.829%0.29423%0.234SC..EExtended strand (participates in β ladder)trans-119.8138.4-179.5-41.60000110.9F301 C302 S344S247-F301 CarbonylContact C-O 3.46Å; S247-F301 VanDerWaalsContact CA-O 3.25Å; S247-F301 WeakPolarHBondContact CA-O 3.25Å; S247-C302 PolarHBondContact OG-SG 3.02Å; S247-S344 WeakPolarHBondContact O-CB 3.26Å; S247-S344 PolarHBondContact O-N 2.81Å; S247-S344 PolarHBondContact O-OG 3.32Å
248F88.6Confident90.6Very high2 Ų243.9 Ų43.91%0.00924%0.236CC..EExtended strand (participates in β ladder)trans-152.9150.5-17958.2-93.1000111.1L254 L259 S300 F301 I303 F341 Q342F248-L254 HydrophobicContact CE2-CD2 3.65Å; F248-L254 HydrophobicContact CZ-CD2 4.15Å; F248-L259 HydrophobicContact CE1-CD2 4.36Å; F248-L259 HydrophobicContact CE2-CD2 4.29Å; F248-L259 HydrophobicContact CZ-CD2 3.66Å; F248-S300 CarbonylContact O-C 3.54Å; F248-S300 WeakPolarHBondContact O-CA 3.32Å; F248-F301 HydrophobicContact CD2-CB 4.31Å; F248-F301 HydrophobicContact CD2-CD2 4.43Å; F248-F301 HydrophobicContact CE1-CB 4.16Å; F248-F301 HydrophobicContact CE2-CB 3.74Å; F248-F301 AromaticContact CE2-CD2 3.75Å; F248-F301 HydrophobicContact CE2-CD2 3.75Å; F248-F301 HydrophobicContact CE2-CG 4.05Å; F248-F301 HydrophobicContact CZ-CB 3.66Å; F248-F301 HydrophobicContact CZ-CD2 4.34Å; F248-F301 HydrophobicContact CZ-CG 4.2Å; F248-F301 PolarHBondContact N-O 3.14Å; F248-F301 PolarHBondContact O-N 3.32Å; F248-I303 HydrophobicContact CE1-CD1 3.98Å; F248-I303 HydrophobicContact CE1-CG1 4.2Å; F248-I303 HydrophobicContact CE1-CG2 4.46Å; F248-F341 HydrophobicContact CB-CD2 4.18Å; F248-F341 HydrophobicContact CB-CE1 4.36Å; F248-F341 HydrophobicContact CB-CE2 3.57Å; F248-F341 HydrophobicContact CB-CZ 3.67Å; F248-F341 AromaticContact CD1-CE2 3.86Å; F248-F341 HydrophobicContact CD1-CE2 3.86Å; F248-F341 HydrophobicContact CD1-CZ 4.26Å; F248-F341 AromaticContact CD2-CD2 3.58Å; F248-F341 HydrophobicContact CD2-CD2 3.58Å; F248-F341 AromaticContact CD2-CE2 3.31Å; F248-F341 HydrophobicContact CD2-CE2 3.31Å; F248-F341 HydrophobicContact CD2-CZ 4.28Å; F248-F341 HydrophobicContact CE1-CE2 4.38Å; F248-F341 HydrophobicContact CE2-CD2 4.18Å; F248-F341 AromaticContact CE2-CE2 3.91Å; F248-F341 HydrophobicContact CE2-CE2 3.91Å; F248-F341 AromaticContact CG-CD2 3.99Å; F248-F341 HydrophobicContact CG-CD2 3.99Å; F248-F341 AromaticContact CG-CE2 3.29Å; F248-F341 HydrophobicContact CG-CE2 3.29Å; F248-F341 AromaticContact CG-CZ 3.82Å; F248-F341 HydrophobicContact CG-CZ 3.82Å; F248-F341 HydrophobicContact CZ-CE2 4.4Å; F248-Q342 WeakPolarHBondContact CA-O 3.27Å
249W85.7Confident90.8Very high60 Ų6043.6 Ų43.623%0.22724%0.235CC..EExtended strand (participates in β ladder)trans-86.8143.3171-61.390.7000110.7Y280 P282 R298 V299 F341 Q342W249-Y280 AromaticContact CH2-CD1 3.9Å; W249-Y280 HydrophobicContact CH2-CD1 3.9Å; W249-Y280 AromaticContact CH2-CE1 3.97Å; W249-Y280 HydrophobicContact CH2-CE1 3.97Å; W249-Y280 HydrophobicContact CZ3-CD1 4.4Å; W249-P282 HydrophobicContact CZ3-CG 4.11Å; W249-R298 VanDerWaalsContact CD2-CZ 3.49Å; W249-R298 VanDerWaalsContact CD2-NH2 3.3Å; W249-R298 HydrophobicContact CE3-CG 3.93Å; W249-R298 VanDerWaalsContact CE3-CZ 3.46Å; W249-R298 VanDerWaalsContact CG-NH2 3.32Å; W249-R298 HydrophobicContact CZ3-CG 4.39Å; W249-V299 CarbonylContact C-O 3.56Å; W249-V299 VanDerWaalsContact CA-O 3.28Å; W249-V299 WeakPolarHBondContact CA-O 3.14Å; W249-F341 VanDerWaalsContact O-CA 3.29Å; W249-F341 WeakPolarHBondContact O-CA 3.32Å; W249-Q342 HydrophobicContact CB-CB 4.14Å; W249-Q342 PolarHBondContact N-O 3.41Å; W249-Q342 PolarHBondContact O-N 3.24Å
250S86.6Confident90.8Very high7 Ų745.8 Ų45.85%0.04924%0.243CC..EExtended strand (participates in β ladder)trans-154.5-176.4175-1760000110.7V299 P340S250-V299 PolarHBondContact N-O 3.3Å; S250-V299 WeakPolarHBondContact O-CG2 3.33Å; S250-V299 PolarHBondContact O-N 2.87Å; S250-V299 VanDerWaalsContact O-O 3.11Å; S250-P340 VanDerWaalsContact CA-O 3.27Å; S250-P340 WeakPolarHBondContact CA-O 3.41Å; S250-P340 PolarHBondContact OG-O 3.47Å
251K86.1Confident90.8Very high79 Ų7953 Ų5334%0.34327%0.269SS..EExtended strand (participates in β ladder)trans-81.7160.5161.6-76.6-179170.6-119.10112.2S253 L254 D297 V299 P340K251-S253 PolarHBondContact O-N 2.87Å; K251-L254 WeakPolarHBondContact O-CB 3.49Å; K251-L254 PolarHBondContact O-N 3.18Å; K251-D297 CarbonylContact C-O 3.48Å; K251-D297 WeakPolarHBondContact CA-O 3.41Å; K251-D297 WeakPolarHBondContact CB-OD1 3.23Å; K251-D297 WeakPolarHBondContact CD-OD2 3.49Å; K251-D297 VanDerWaalsContact CE-OD2 3.26Å; K251-D297 WeakPolarHBondContact CE-OD2 3.35Å; K251-D297 HydrophobicContact CG-CB 4.45Å; K251-D297 VanDerWaalsContact CG-OD2 3.24Å; K251-D297 WeakPolarHBondContact CG-OD2 3.32Å; K251-D297 IonicContact NZ-OD2 2.74Å; K251-D297 PolarHBondContact NZ-OD2 2.97Å; K251-V299 VanDerWaalsContact C-CG2 3.41Å; K251-V299 WeakPolarHBondContact O-CG2 3.43Å; K251-P340 HydrophobicContact CB-CG 4.22Å; K251-P340 HydrophobicContact CD-CG 3.53Å; K251-P340 HydrophobicContact CG-CG 3.57Å
252W84.3Confident90.8Very high136 Ų13652.3 Ų52.352%0.51527%0.266SS..THydrogen-bonded Turntrans-67.8-26174.3179.9-112.7000112.1L254 I279 R281 D297 V299 F301W252-L254 PolarHBondContact O-N 3Å; W252-L254 VanDerWaalsContact O-N 3.11Å; W252-I279 HydrophobicContact CZ3-CD1 4.07Å; W252-I279 HydrophobicContact CZ3-CG2 4.2Å; W252-R281 VanDerWaalsContact CE2-NH2 3.31Å; W252-D297 PolarHBondContact N-O 2.94Å; W252-D297 PolarHBondContact N-OD1 2.89Å; W252-V299 HydrophobicContact CB-CG1 4.49Å; W252-V299 HydrophobicContact CE3-CG1 4.21Å; W252-F301 HydrophobicContact CE3-CZ 4.4Å
253S84.4Confident90.7Very high97 Ų9751.2 Ų51.268%0.67826%0.262SS*.THydrogen-bonded Turntrans-72.513.1174.958.70000115.6K251 D255K251-S253 PolarHBondContact O-N 2.87Å; S253-D255 PolarHBondContact O-N 3.04Å
254L82.8Confident90.6Very high18 Ų1850.1 Ų50.19%0.09425%0.251CS..  trans-66.3118178.8177.165.4000111.9F248 K251 W252 Q256 L259 F301 I339F248-L254 HydrophobicContact CE2-CD2 3.65Å; F248-L254 HydrophobicContact CZ-CD2 4.15Å; K251-L254 WeakPolarHBondContact O-CB 3.49Å; K251-L254 PolarHBondContact O-N 3.18Å; W252-L254 PolarHBondContact O-N 3Å; W252-L254 VanDerWaalsContact O-N 3.11Å; L254-Q256 PolarHBondContact O-N 2.91Å; L254-L259 HydrophobicContact CD2-CD2 4.06Å; L254-F301 HydrophobicContact CB-CE2 4.18Å; L254-F301 HydrophobicContact CB-CZ 4.42Å; L254-F301 HydrophobicContact CD2-CD2 3.96Å; L254-F301 HydrophobicContact CD2-CE2 3.73Å; L254-F301 HydrophobicContact CD2-CZ 4.3Å; L254-I339 HydrophobicContact CD1-CG2 3.74Å
255D87.5Confident90.5Very high79 Ų7956.8 Ų56.842%0.42227%0.274SS..  trans-70102171.1177.416.7000111.6S253 A257 S258 L259S253-D255 PolarHBondContact O-N 3.04Å; D255-A257 VanDerWaalsContact C-N 3.27Å; D255-A257 PolarHBondContact O-N 2.82Å; D255-A257 WeakPolarHBondContact OD1-CA 3.48Å; D255-A257 WeakPolarHBondContact OD1-CB 3.44Å; D255-A257 PolarHBondContact OD1-N 3.15Å; D255-S258 PolarHBondContact O-N 2.87Å; D255-S258 PolarHBondContact OD1-N 3.28Å; D255-S258 WeakPolarHBondContact OD2-CB 3.46Å; D255-S258 PolarHBondContact OD2-N 3.19Å; D255-S258 VanDerWaalsContact OD2-N 3.1Å; D255-S258 PolarHBondContact OD2-OG 3.27Å; D255-L259 PolarHBondContact O-N 2.54Å; D255-L259 VanDerWaalsContact O-N 3.11Å
256Q89.5Confident90.5Very high75 Ų7555.9 Ų55.935%0.3527%0.267SS..Hα-helixtrans-63.3-30.4175.5-60.2-176.915.900112.6L254 L259 W260L254-Q256 PolarHBondContact O-N 2.91Å; Q256-L259 PolarHBondContact O-N 3.4Å; Q256-W260 HydrophobicContact CB-CZ2 4.19Å; Q256-W260 HydrophobicContact CG-CZ2 4.45Å; Q256-W260 WeakPolarHBondContact O-CB 3.47Å; Q256-W260 PolarHBondContact O-N 2.81Å
257A91.7Very high90.7Very high57 Ų5755.5 Ų55.547%0.47127%0.265SS..Hα-helixtrans-74.1-35.6-179.400000111.9D255 R261D255-A257 VanDerWaalsContact C-N 3.27Å; D255-A257 PolarHBondContact O-N 2.82Å; D255-A257 WeakPolarHBondContact OD1-CA 3.48Å; D255-A257 WeakPolarHBondContact OD1-CB 3.44Å; D255-A257 PolarHBondContact OD1-N 3.15Å; A257-R261 WeakPolarHBondContact O-CB 3.33Å; A257-R261 VanDerWaalsContact O-CG 3.22Å; A257-R261 WeakPolarHBondContact O-CG 3.47Å; A257-R261 PolarHBondContact O-N 2.87Å; A257-R261 VanDerWaalsContact O-N 3.15Å; A257-R261 PolarHBondContact O-NE 2.98Å
258S91.5Very high90.9Very high32 Ų3255.9 Ų55.922%0.22426%0.264CS..Hα-helixtrans-65.9-44.8167.3-68.30000112.1D255 W260 R261 E262D255-S258 PolarHBondContact O-N 2.87Å; D255-S258 PolarHBondContact OD1-N 3.28Å; D255-S258 WeakPolarHBondContact OD2-CB 3.46Å; D255-S258 PolarHBondContact OD2-N 3.19Å; D255-S258 VanDerWaalsContact OD2-N 3.1Å; D255-S258 PolarHBondContact OD2-OG 3.27Å; S258-W260 PolarHBondContact O-N 2.88Å; S258-R261 PolarHBondContact O-N 2.82Å; S258-R261 PolarHBondContact OG-NH2 3.27Å; S258-E262 WeakPolarHBondContact O-CB 3.48Å; S258-E262 PolarHBondContact O-N 2.71Å
259L91.9Very high91.2Very high1 Ų157.3 Ų57.31%0.00527%0.271CS..Hα-helixtrans-63.6-40.8178.9-176.659.2000112.5F248 L254 D255 Q256 E262 I263 L330 W333F248-L259 HydrophobicContact CE1-CD2 4.36Å; F248-L259 HydrophobicContact CE2-CD2 4.29Å; F248-L259 HydrophobicContact CZ-CD2 3.66Å; L254-L259 HydrophobicContact CD2-CD2 4.06Å; D255-L259 PolarHBondContact O-N 2.54Å; D255-L259 VanDerWaalsContact O-N 3.11Å; Q256-L259 PolarHBondContact O-N 3.4Å; L259-E262 PolarHBondContact O-N 3.48Å; L259-I263 HydrophobicContact CD1-CD1 4.32Å; L259-I263 HydrophobicContact CD1-CG1 4.41Å; L259-I263 HydrophobicContact CG-CD1 4.23Å; L259-I263 WeakPolarHBondContact O-CG1 3.34Å; L259-I263 PolarHBondContact O-N 3.29Å; L259-L330 HydrophobicContact CD1-CD1 4.28Å; L259-L330 HydrophobicContact CD1-CD2 3.67Å; L259-W333 HydrophobicContact CD1-CE3 4.49Å; L259-W333 HydrophobicContact CD1-CZ3 3.97Å
260W94.1Very high91.8Very high50 Ų5054.4 Ų54.419%0.18926%0.26CS..Hα-helixtrans-67.8-43.5177.3-64.2169.9000111.7Q256 S258 E262 I263 F264 I274 V276 I303Q256-W260 HydrophobicContact CB-CZ2 4.19Å; Q256-W260 HydrophobicContact CG-CZ2 4.45Å; Q256-W260 WeakPolarHBondContact O-CB 3.47Å; Q256-W260 PolarHBondContact O-N 2.81Å; S258-W260 PolarHBondContact O-N 2.88Å; W260-E262 VanDerWaalsContact C-N 3.26Å; W260-E262 PolarHBondContact O-N 3.38Å; W260-I263 HydrophobicContact CE3-CD1 3.94Å; W260-I263 HydrophobicContact CZ3-CD1 4.04Å; W260-I263 PolarHBondContact O-N 3.27Å; W260-F264 HydrophobicContact CB-CD2 4.34Å; W260-F264 HydrophobicContact CB-CE2 3.98Å; W260-F264 WeakPolarHBondContact O-CD2 3.24Å; W260-F264 WeakPolarHBondContact O-CG 3.45Å; W260-F264 PolarHBondContact O-N 3.15Å; W260-I274 HydrophobicContact CB-CD1 4.08Å; W260-I274 HydrophobicContact CD2-CB 4.38Å; W260-I274 HydrophobicContact CD2-CD1 3.8Å; W260-I274 HydrophobicContact CD2-CG2 3.89Å; W260-I274 HydrophobicContact CE3-CD1 3.72Å; W260-I274 HydrophobicContact CE3-CG2 3.91Å; W260-I274 HydrophobicContact CG-CD1 3.94Å; W260-I274 HydrophobicContact CH2-CG2 3.96Å; W260-I274 HydrophobicContact CZ2-CG2 3.85Å; W260-I274 HydrophobicContact CZ3-CG2 3.94Å; W260-V276 HydrophobicContact CZ2-CG2 4.31Å; W260-I303 HydrophobicContact CH2-CD1 3.89Å; W260-I303 HydrophobicContact CH2-CG2 3.86Å; W260-I303 HydrophobicContact CZ3-CD1 3.57Å
261R95Very high92.3Very high161 Ų16154.1 Ų54.161%0.60826%0.258SS*.Hα-helixtrans-56.2-42.8173-75.5179.7-63.71630.9111.5A257 S258 F264 R265A257-R261 WeakPolarHBondContact O-CB 3.33Å; A257-R261 VanDerWaalsContact O-CG 3.22Å; A257-R261 WeakPolarHBondContact O-CG 3.47Å; A257-R261 PolarHBondContact O-N 2.87Å; A257-R261 VanDerWaalsContact O-N 3.15Å; A257-R261 PolarHBondContact O-NE 2.98Å; S258-R261 PolarHBondContact O-N 2.82Å; S258-R261 PolarHBondContact OG-NH2 3.27Å; R261-F264 PolarHBondContact O-N 3.04Å; R261-R265 VanDerWaalsContact O-CB 3.23Å; R261-R265 WeakPolarHBondContact O-CB 3.45Å; R261-R265 PolarHBondContact O-N 3.13Å
262E95.1Very high92.8Very high13 Ų1350.4 Ų50.46%0.06124%0.242CC..Hα-helixtrans-68.5-40178.6-173.665.5-177.800112.9S258 L259 W260 R265 F266 H329 L330 W333S258-E262 WeakPolarHBondContact O-CB 3.48Å; S258-E262 PolarHBondContact O-N 2.71Å; L259-E262 PolarHBondContact O-N 3.48Å; W260-E262 VanDerWaalsContact C-N 3.26Å; W260-E262 PolarHBondContact O-N 3.38Å; E262-R265 VanDerWaalsContact CD-NH2 3.31Å; E262-R265 PolarHBondContact O-N 3.46Å; E262-R265 IonicContact OE1-CZ 2.69Å; E262-R265 IonicContact OE1-NE 2.73Å; E262-R265 IonicContact OE1-NH2 3.62Å; E262-R265 PolarHBondContact OE1-NH2 3.42Å; E262-R265 IonicContact OE2-CZ 3.19Å; E262-R265 IonicContact OE2-NE 3.16Å; E262-R265 PolarHBondContact OE2-NE 3.3Å; E262-R265 IonicContact OE2-NH2 2.76Å; E262-R265 PolarHBondContact OE2-NH2 2.72Å; E262-R265 VanDerWaalsContact OE2-NH2 3.09Å; E262-F266 WeakPolarHBondContact O-CB 3.49Å; E262-F266 PolarHBondContact O-N 2.77Å; E262-H329 IonicContact OE1-CD2 2.74Å; E262-H329 IonicContact OE1-CE1 2.66Å; E262-H329 PolarHBondContact OE1-CE1 3.44Å; E262-H329 IonicContact OE1-NE2 2.75Å; E262-H329 PolarHBondContact OE1-NE2 3.49Å; E262-L330 HydrophobicContact CG-CD2 4.2Å; E262-W333 HydrophobicContact CB-CD2 4.33Å; E262-W333 HydrophobicContact CB-CH2 4.49Å; E262-W333 HydrophobicContact CB-CZ2 4.06Å; E262-W333 HydrophobicContact CG-CD2 3.72Å; E262-W333 HydrophobicContact CG-CE3 4.34Å; E262-W333 HydrophobicContact CG-CG 3.78Å; E262-W333 HydrophobicContact CG-CZ2 4.3Å
263I96Very high93.4Very high0 Ų044.7 Ų44.70%022%0.222CC..Hα-helixtrans-63.1-46.9174.1-70177.6000110.8M246 L259 W260 R265 T267 V271 I274 I303 L305 L326 L330M246-I263 HydrophobicContact CE-CD1 4.3Å; L259-I263 HydrophobicContact CD1-CD1 4.32Å; L259-I263 HydrophobicContact CD1-CG1 4.41Å; L259-I263 HydrophobicContact CG-CD1 4.23Å; L259-I263 WeakPolarHBondContact O-CG1 3.34Å; L259-I263 PolarHBondContact O-N 3.29Å; W260-I263 HydrophobicContact CE3-CD1 3.94Å; W260-I263 HydrophobicContact CZ3-CD1 4.04Å; W260-I263 PolarHBondContact O-N 3.27Å; I263-R265 PolarHBondContact O-N 2.91Å; I263-T267 HydrophobicContact CG2-CG2 4.36Å; I263-T267 VanDerWaalsContact O-CB 3.31Å; I263-T267 WeakPolarHBondContact O-CB 3.44Å; I263-T267 VanDerWaalsContact O-CG2 3.28Å; I263-T267 WeakPolarHBondContact O-CG2 3.36Å; I263-T267 PolarHBondContact O-N 2.69Å; I263-T267 PolarHBondContact O-OG1 3.5Å; I263-V271 HydrophobicContact CG2-CB 4.25Å; I263-V271 HydrophobicContact CG2-CG1 4.17Å; I263-V271 HydrophobicContact CG2-CG2 4.21Å; I263-I274 HydrophobicContact CB-CD1 4.03Å; I263-I274 HydrophobicContact CD1-CD1 4.23Å; I263-I274 HydrophobicContact CG2-CD1 3.79Å; I263-I303 HydrophobicContact CD1-CD1 4.04Å; I263-L305 HydrophobicContact CD1-CD2 4.2Å; I263-L305 HydrophobicContact CG2-CD1 4.37Å; I263-L305 HydrophobicContact CG2-CD2 4.28Å; I263-L326 HydrophobicContact CG1-CD1 4.2Å; I263-L326 HydrophobicContact CG1-CD2 4.32Å; I263-L326 HydrophobicContact CG2-CD2 4.04Å; I263-L330 HydrophobicContact CD1-CD1 4.05Å; I263-L330 HydrophobicContact CG1-CD1 4Å; I263-L330 HydrophobicContact CG1-CD2 4.1Å
264F95.8Very high93.9Very high38 Ų3841 Ų4117%0.16719%0.194CC..Hα-helixtrans-62.8-41.9177.7-66.1-49.4000111.8L233 W260 R261 N268 N269 V271 I274L233-F264 HydrophobicContact CD1-CD2 4.23Å; L233-F264 HydrophobicContact CD1-CE1 4.34Å; L233-F264 HydrophobicContact CD1-CE2 4.02Å; L233-F264 HydrophobicContact CD1-CZ 4.08Å; L233-F264 HydrophobicContact CD2-CD1 3.84Å; L233-F264 HydrophobicContact CD2-CE1 3.86Å; L233-F264 HydrophobicContact CD2-CG 4.4Å; L233-F264 HydrophobicContact CD2-CZ 4.41Å; W260-F264 HydrophobicContact CB-CD2 4.34Å; W260-F264 HydrophobicContact CB-CE2 3.98Å; W260-F264 WeakPolarHBondContact O-CD2 3.24Å; W260-F264 WeakPolarHBondContact O-CG 3.45Å; W260-F264 PolarHBondContact O-N 3.15Å; R261-F264 PolarHBondContact O-N 3.04Å; F264-N268 PolarHBondContact O-N 3.24Å; F264-N268 VanDerWaalsContact O-N 3.14Å; F264-N269 PolarHBondContact O-N 3.42Å; F264-V271 WeakPolarHBondContact CD1-O 3.46Å; F264-V271 HydrophobicContact CE1-CG1 4.18Å; F264-V271 WeakPolarHBondContact CE1-O 3.17Å; F264-I274 HydrophobicContact CE1-CD1 4.04Å; F264-I274 HydrophobicContact CE1-CG1 4.07Å; F264-I274 HydrophobicContact CE2-CD1 4.28Å; F264-I274 HydrophobicContact CZ-CD1 3.85Å; F264-I274 HydrophobicContact CZ-CG1 3.96Å
265R95Very high94.5Very high165 Ų16545 Ų4562%0.62321%0.208SC*.Hα-helixtrans-61.1-54.4175.6-172.8-178.879.696.6-1.5112.4R261 E262 I263 T267 N268R261-R265 VanDerWaalsContact O-CB 3.23Å; R261-R265 WeakPolarHBondContact O-CB 3.45Å; R261-R265 PolarHBondContact O-N 3.13Å; E262-R265 VanDerWaalsContact CD-NH2 3.31Å; E262-R265 PolarHBondContact O-N 3.46Å; E262-R265 IonicContact OE1-CZ 2.69Å; E262-R265 IonicContact OE1-NE 2.73Å; E262-R265 IonicContact OE1-NH2 3.62Å; E262-R265 PolarHBondContact OE1-NH2 3.42Å; E262-R265 IonicContact OE2-CZ 3.19Å; E262-R265 IonicContact OE2-NE 3.16Å; E262-R265 PolarHBondContact OE2-NE 3.3Å; E262-R265 IonicContact OE2-NH2 2.76Å; E262-R265 PolarHBondContact OE2-NH2 2.72Å; E262-R265 VanDerWaalsContact OE2-NH2 3.09Å; I263-R265 PolarHBondContact O-N 2.91Å; R265-T267 VanDerWaalsContact C-N 3.35Å; R265-T267 PolarHBondContact O-N 3.22Å; R265-N268 PolarHBondContact O-N 3.03Å
266F95.7Very high94.9Very high54 Ų5444 Ų4424%0.23721%0.205CC..Hα-helixtrans-65.5-38.4-178.5178.7-92.4000112.3L225 E262 N268 Q325 L326 H329L225-F266 HydrophobicContact CD1-CE1 3.75Å; L225-F266 HydrophobicContact CD1-CZ 4.04Å; E262-F266 WeakPolarHBondContact O-CB 3.49Å; E262-F266 PolarHBondContact O-N 2.77Å; F266-N268 PolarHBondContact O-N 2.66Å; F266-Q325 HydrophobicContact CE1-CB 4.3Å; F266-Q325 HydrophobicContact CZ-CB 4.19Å; F266-L326 HydrophobicContact CB-CD1 4.22Å; F266-L326 HydrophobicContact CD1-CB 4.11Å; F266-L326 HydrophobicContact CD1-CD1 3.51Å; F266-L326 HydrophobicContact CD1-CG 4.41Å; F266-L326 HydrophobicContact CE1-CB 4Å; F266-L326 HydrophobicContact CE1-CD1 4.22Å; F266-L326 HydrophobicContact CG-CD1 4.1Å; F266-H329 HydrophobicContact CD1-CB 4.41Å; F266-H329 HydrophobicContact CD2-CB 3.74Å; F266-H329 AromaticContact CD2-CD2 3.36Å; F266-H329 WeakPolarHBondContact CD2-CD2 3.03Å; F266-H329 AromaticContact CD2-CE1 3.74Å; F266-H329 AromaticContact CD2-CG 3.17Å; F266-H329 AromaticContact CD2-ND1 3.44Å; F266-H329 WeakPolarHBondContact CD2-ND1 3.25Å; F266-H329 AromaticContact CD2-NE2 3.7Å; F266-H329 HydrophobicContact CE1-CB 4.18Å; F266-H329 HydrophobicContact CE2-CB 3.47Å; F266-H329 VanDerWaalsContact CE2-CB 3.47Å; F266-H329 AromaticContact CE2-CG 3.38Å; F266-H329 AromaticContact CE2-ND1 3.62Å; F266-H329 HydrophobicContact CG-CB 4.2Å; F266-H329 AromaticContact CG-CD2 3.52Å; F266-H329 AromaticContact CG-CG 3.73Å; F266-H329 HydrophobicContact CZ-CB 3.7Å
267T96.4Very high95.1Very high0 Ų043.9 Ų43.90%021%0.209CC..THydrogen-bonded Turntrans-84.87.2-179.466.40000113.5I263 R265 N269 F270 V271 W307 L326I263-T267 HydrophobicContact CG2-CG2 4.36Å; I263-T267 VanDerWaalsContact O-CB 3.31Å; I263-T267 WeakPolarHBondContact O-CB 3.44Å; I263-T267 VanDerWaalsContact O-CG2 3.28Å; I263-T267 WeakPolarHBondContact O-CG2 3.36Å; I263-T267 PolarHBondContact O-N 2.69Å; I263-T267 PolarHBondContact O-OG1 3.5Å; R265-T267 VanDerWaalsContact C-N 3.35Å; R265-T267 PolarHBondContact O-N 3.22Å; T267-N269 PolarHBondContact O-N 2.83Å; T267-N269 VanDerWaalsContact O-N 3.14Å; T267-F270 VanDerWaalsContact O-CB 3.3Å; T267-F270 WeakPolarHBondContact O-CB 3.07Å; T267-F270 VanDerWaalsContact O-CD2 3.31Å; T267-F270 WeakPolarHBondContact O-CD2 3.24Å; T267-F270 PolarHBondContact O-N 2.58Å; T267-V271 HydrophobicContact CG2-CG2 3.78Å; T267-V271 PolarHBondContact OG1-N 2.99Å; T267-W307 HydrophobicContact CG2-CH2 3.38Å; T267-W307 HydrophobicContact CG2-CZ2 4.27Å; T267-W307 HydrophobicContact CG2-CZ3 3.72Å; T267-L326 HydrophobicContact CG2-CD1 4.15Å; T267-L326 HydrophobicContact CG2-CD2 3.99Å; T267-L326 HydrophobicContact CG2-CG 4.49Å
268N95.3Very high95.1Very high50 Ų5045.8 Ų45.827%0.26721%0.208SC..THydrogen-bonded Turntrans41.347.1-174.5-156.329.3000113.4L225 S227 F264 R265 F266 F270L225-N268 WeakPolarHBondContact O-CB 3.46Å; S227-N268 PolarHBondContact O-ND2 3.27Å; F264-N268 PolarHBondContact O-N 3.24Å; F264-N268 VanDerWaalsContact O-N 3.14Å; R265-N268 PolarHBondContact O-N 3.03Å; F266-N268 PolarHBondContact O-N 2.66Å; N268-F270 PolarHBondContact O-N 2.91Å; N268-F270 VanDerWaalsContact O-N 3.14Å
269N95.3Very high95.1Very high31 Ų3147.1 Ų47.117%0.16621%0.212CC..THydrogen-bonded Turntrans58.316.6-175.6-55.8-53.3000116.3L233 F264 T267 V271 K272L233-N269 HydrophobicContact CD2-CB 4.4Å; F264-N269 PolarHBondContact O-N 3.42Å; T267-N269 PolarHBondContact O-N 2.83Å; T267-N269 VanDerWaalsContact O-N 3.14Å; N269-V271 VanDerWaalsContact C-N 3.3Å; N269-K272 WeakPolarHBondContact O-CD 3.31Å; N269-K272 WeakPolarHBondContact O-CE 3.3Å; N269-K272 PolarHBondContact O-NZ 3.05Å
270F97.2Very high95.1Very high0 Ų050 Ų500%022%0.223CC..  trans-68.4-29167.7-80.1-78.9000112.3A223 H224 E229 T267 N268 K272 W307 Q308 H312A223-F270 HydrophobicContact CB-CD1 4.42Å; A223-F270 HydrophobicContact CB-CE1 3.65Å; A223-F270 HydrophobicContact CB-CZ 3.89Å; H224-F270 WeakPolarHBondContact O-CE2 3.21Å; E229-F270 HydrophobicContact CB-CD1 4.42Å; E229-F270 HydrophobicContact CB-CD2 4.32Å; E229-F270 HydrophobicContact CB-CE1 4.19Å; E229-F270 HydrophobicContact CB-CE2 4.07Å; E229-F270 HydrophobicContact CB-CG 4.49Å; E229-F270 HydrophobicContact CB-CZ 4Å; E229-F270 HydrophobicContact CG-CD1 4.16Å; E229-F270 HydrophobicContact CG-CE1 4.1Å; E229-F270 HydrophobicContact CG-CZ 4.42Å; E229-F270 WeakPolarHBondContact OE2-CE1 3.13Å; T267-F270 VanDerWaalsContact O-CB 3.3Å; T267-F270 WeakPolarHBondContact O-CB 3.07Å; T267-F270 VanDerWaalsContact O-CD2 3.31Å; T267-F270 WeakPolarHBondContact O-CD2 3.24Å; T267-F270 PolarHBondContact O-N 2.58Å; N268-F270 PolarHBondContact O-N 2.91Å; N268-F270 VanDerWaalsContact O-N 3.14Å; F270-K272 PolarHBondContact O-N 3.3Å; F270-W307 HydrophobicContact CB-CE3 4.01Å; F270-W307 HydrophobicContact CB-CZ3 4.26Å; F270-W307 CarbonylContact O-C 3.55Å; F270-W307 WeakPolarHBondContact O-CA 3.28Å; F270-Q308 PolarHBondContact O-N 3.09Å; F270-H312 HydrophobicContact CE1-CB 4.22Å; F270-H312 HydrophobicContact CZ-CB 4.36Å; F270-H312 AromaticContact CZ-ND1 3.81Å
271V97.5Very high94.9Very high0 Ų053.7 Ų53.70%024%0.237CC..EExtended strand (participates in β ladder)trans-76.3115.8161.2174.50000107.7I263 F264 T267 N269 I274 L305 W307I263-V271 HydrophobicContact CG2-CB 4.25Å; I263-V271 HydrophobicContact CG2-CG1 4.17Å; I263-V271 HydrophobicContact CG2-CG2 4.21Å; F264-V271 WeakPolarHBondContact CD1-O 3.46Å; F264-V271 HydrophobicContact CE1-CG1 4.18Å; F264-V271 WeakPolarHBondContact CE1-O 3.17Å; T267-V271 HydrophobicContact CG2-CG2 3.78Å; T267-V271 PolarHBondContact OG1-N 2.99Å; N269-V271 VanDerWaalsContact C-N 3.3Å; V271-I274 HydrophobicContact CG1-CD1 4.33Å; V271-I274 HydrophobicContact CG1-CG1 3.77Å; V271-L305 HydrophobicContact CG1-CB 4.15Å; V271-L305 HydrophobicContact CG1-CD2 4.2Å; V271-L305 HydrophobicContact CG2-CB 4.17Å; V271-L305 HydrophobicContact CG2-CD1 4.26Å; V271-W307 HydrophobicContact CG2-CD2 3.69Å; V271-W307 HydrophobicContact CG2-CE3 3.79Å; V271-W307 HydrophobicContact CG2-CG 4.38Å; V271-W307 HydrophobicContact CG2-CH2 3.85Å; V271-W307 HydrophobicContact CG2-CZ2 3.73Å; V271-W307 HydrophobicContact CG2-CZ3 3.86Å
272K96.3Very high94.5Very high1 Ų147.6 Ų47.60%0.00422%0.218CC..EExtended strand (participates in β ladder)trans-97.7-25.8-175.2-73.9-54.9-178.9-1580114.6W153 S230 T232 G234 L235 N269 F270 Y306 Q308W153-K272 HydrophobicContact CZ3-CD 4.2Å; S230-K272 PolarHBondContact O-NZ 2.66Å; T232-K272 VanDerWaalsContact O-CD 3.29Å; T232-K272 WeakPolarHBondContact O-CD 3.1Å; T232-K272 WeakPolarHBondContact O-CE 3.35Å; T232-K272 PolarHBondContact O-NZ 3.09Å; G234-K272 WeakPolarHBondContact CA-O 3.33Å; G234-K272 PolarHBondContact N-O 3.06Å; G234-K272 WeakPolarHBondContact O-CB 3.39Å; L235-K272 HydrophobicContact CD2-CB 3.77Å; L235-K272 HydrophobicContact CG-CB 4.48Å; N269-K272 WeakPolarHBondContact O-CD 3.31Å; N269-K272 WeakPolarHBondContact O-CE 3.3Å; N269-K272 PolarHBondContact O-NZ 3.05Å; F270-K272 PolarHBondContact O-N 3.3Å; K272-Y306 PolarHBondContact N-O 2.81Å; K272-Q308 HydrophobicContact CB-CB 4.45Å; K272-Q308 HydrophobicContact CG-CB 3.9Å
273L96.3Very high94.2Very high17 Ų1750 Ų509%0.08924%0.235CC..EExtended strand (participates in β ladder)trans-148.2142.6178.2-179.460.4000109D155 L157 L235 R275 Y306D155-L273 HydrophobicContact CB-CD1 4.18Å; D155-L273 HydrophobicContact CB-CD2 4.28Å; D155-L273 WeakPolarHBondContact O-CD2 3.45Å; D155-L273 WeakPolarHBondContact OD1-CD1 3.49Å; L157-L273 HydrophobicContact CD2-CD2 4.15Å; L235-L273 HydrophobicContact CD1-CB 4.33Å; L235-L273 HydrophobicContact CD1-CD2 3.99Å; L235-L273 HydrophobicContact CG-CB 4.17Å; L235-L273 HydrophobicContact CG-CD2 4.46Å; L273-R275 HydrophobicContact CD2-CG 4.41Å; L273-R275 HydrophobicContact CG-CG 4.27Å; L273-Y306 HydrophobicContact CB-CD2 4.04Å; L273-Y306 HydrophobicContact CB-CG 4.34Å; L273-Y306 HydrophobicContact CD2-CD2 4.27Å; L273-Y306 HydrophobicContact CD2-CE2 4.43Å; L273-Y306 HydrophobicContact CG-CD2 4.12Å; L273-Y306 WeakPolarHBondContact O-CD2 3.48Å; L273-Y306 PolarHBondContact O-N 2.65Å
274I96.7Very high93.8Very high19 Ų1953.8 Ų53.810%0.09725%0.254CS..EExtended strand (participates in β ladder)trans-120.1134.7173.2-54.8-178.9000107.1W260 I263 F264 V271 I303 L305W260-I274 HydrophobicContact CB-CD1 4.08Å; W260-I274 HydrophobicContact CD2-CB 4.38Å; W260-I274 HydrophobicContact CD2-CD1 3.8Å; W260-I274 HydrophobicContact CD2-CG2 3.89Å; W260-I274 HydrophobicContact CE3-CD1 3.72Å; W260-I274 HydrophobicContact CE3-CG2 3.91Å; W260-I274 HydrophobicContact CG-CD1 3.94Å; W260-I274 HydrophobicContact CH2-CG2 3.96Å; W260-I274 HydrophobicContact CZ2-CG2 3.85Å; W260-I274 HydrophobicContact CZ3-CG2 3.94Å; I263-I274 HydrophobicContact CB-CD1 4.03Å; I263-I274 HydrophobicContact CD1-CD1 4.23Å; I263-I274 HydrophobicContact CG2-CD1 3.79Å; F264-I274 HydrophobicContact CE1-CD1 4.04Å; F264-I274 HydrophobicContact CE1-CG1 4.07Å; F264-I274 HydrophobicContact CE2-CD1 4.28Å; F264-I274 HydrophobicContact CZ-CD1 3.85Å; F264-I274 HydrophobicContact CZ-CG1 3.96Å; V271-I274 HydrophobicContact CG1-CD1 4.33Å; V271-I274 HydrophobicContact CG1-CG1 3.77Å; I274-I303 HydrophobicContact CG2-CD1 4.34Å; I274-L305 HydrophobicContact CB-CD2 4.34Å; I274-L305 HydrophobicContact CD1-CD2 4.14Å; I274-L305 HydrophobicContact CG1-CD2 3.8Å; I274-L305 HydrophobicContact CG2-CD2 3.93Å
275R95.6Very high93.4Very high101 Ų10154.9 Ų54.938%0.38127%0.265SS..EExtended strand (participates in β ladder)trans-133136.2170.7-63.6-172-178.1-158.2-0.8110.1D155 L273 I303 R304 Y306D155-R275 PolarHBondContact O-NH2 3.4Å; L273-R275 HydrophobicContact CD2-CG 4.41Å; L273-R275 HydrophobicContact CG-CG 4.27Å; R275-I303 CarbonylContact O-C 3.58Å; R275-I303 WeakPolarHBondContact O-CA 3.48Å; R275-R304 PolarHBondContact N-O 2.76Å; R275-R304 PolarHBondContact O-N 3.14Å; R275-Y306 HydrophobicContact CB-CE2 4.33Å; R275-Y306 HydrophobicContact CG-CE2 3.97Å
276V94.3Very high92.9Very high60 Ų6054.8 Ų54.836%0.36428%0.276SS..EExtended strand (participates in β ladder)trans-68.3131163.8-177.30000108.1W260 I279 I303W260-V276 HydrophobicContact CZ2-CG2 4.31Å; V276-I279 HydrophobicContact CG1-CD1 4Å; V276-I279 HydrophobicContact CG1-CG1 3.69Å; V276-I303 HydrophobicContact CG2-CG2 4.34Å
277V93.8Very high92.1Very high71 Ų7161.3 Ų61.343%0.4331%0.307SS..EExtended strand (participates in β ladder)trans-99.5-43.4178.4179.30000110.3C302 R304V277-C302 PolarHBondContact N-O 2.95Å; V277-R304 HydrophobicContact CG2-CB 3.57Å
278E92.1Very high91.3Very high98 Ų9863.1 Ų63.146%0.45832%0.32SS..EExtended strand (participates in β ladder)trans-156.4149.7-174.3-179.2165.5-132.400110.1C302E278-C302 HydrophobicContact CB-CB 4.06Å; E278-C302 PolarHBondContact N-O 2.85Å; E278-C302 PolarHBondContact O-N 3.48Å
279I92.3Very high90.8Very high60 Ų6070.6 Ų70.631%0.30835%0.354SS..EExtended strand (participates in β ladder)trans-133.1111.1169.1-51.9169.7000107.3W252 V276 V299 S300 F301W252-I279 HydrophobicContact CZ3-CD1 4.07Å; W252-I279 HydrophobicContact CZ3-CG2 4.2Å; V276-I279 HydrophobicContact CG1-CD1 4Å; V276-I279 HydrophobicContact CG1-CG1 3.69Å; I279-V299 HydrophobicContact CG2-CB 4.29Å; I279-V299 HydrophobicContact CG2-CG1 4.35Å; I279-S300 WeakPolarHBondContact CA-O 3.33Å; I279-F301 HydrophobicContact CD1-CD1 4.08Å; I279-F301 HydrophobicContact CD1-CE1 3.88Å; I279-F301 HydrophobicContact CG1-CD1 3.8Å; I279-F301 HydrophobicContact CG1-CE1 4.07Å; I279-F301 HydrophobicContact CG2-CD1 4.19Å; I279-F301 HydrophobicContact CG2-CE1 4.17Å
280Y90.3Very high90.2Very high61 Ų6172.2 Ų72.224%0.23936%0.362CS..EExtended strand (participates in β ladder)trans-97.8127.3178.8172.6-118.4000110.5W249 P282 S300 M512W249-Y280 AromaticContact CH2-CD1 3.9Å; W249-Y280 HydrophobicContact CH2-CD1 3.9Å; W249-Y280 AromaticContact CH2-CE1 3.97Å; W249-Y280 HydrophobicContact CH2-CE1 3.97Å; W249-Y280 HydrophobicContact CZ3-CD1 4.4Å; Y280-P282 HydrophobicContact CE1-CB 4.04Å; Y280-S300 PolarHBondContact N-O 2.84Å; Y280-S300 PolarHBondContact O-N 3.14Å; Y280-M512 HydrophobicContact CD2-CG 3.83Å; Y280-M512 HydrophobicContact CD2-SD 3.84Å; Y280-M512 HydrophobicContact CE2-CG 3.37Å; Y280-M512 HydrophobicContact CE2-SD 3.85Å
281R91Very high89.7Confident127 Ų12774.6 Ų74.648%0.47938%0.378SS..PPolyproline II helixtrans-101.2121.3164.5-77.5177.4-178.491.6-2.3107.8W252 V299W252-R281 VanDerWaalsContact CE2-NH2 3.31Å; R281-V299 HydrophobicContact CG-CG1 3.66Å
282P86.5Confident89.2Confident33 Ų3378 Ų7821%0.21440%0.399CS..PPolyproline II helixtrans-67.6152.4172.731.1-32.2000110W249 Y280 R298W249-P282 HydrophobicContact CZ3-CG 4.11Å; Y280-P282 HydrophobicContact CE1-CB 4.04Å; P282-R298 VanDerWaalsContact CD-O 3.26Å; P282-R298 WeakPolarHBondContact CD-O 3.48Å
283P89.4Confident88.7Confident63 Ų6382 Ų8241%0.40943%0.427SS..PPolyproline II helixtrans-62.5150.116629.4-34.4000110
284I87.8Confident88.1Confident80 Ų8085.4 Ų85.441%0.4144%0.443SS..PPolyproline II helixtrans-69.6137.7168.5-55.4169.2000107.6V292 Q295 K296I284-V292 HydrophobicContact CD1-CG1 4.46Å; I284-V292 HydrophobicContact CG2-CG1 4.28Å; I284-Q295 HydrophobicContact CG2-CB 4.49Å; I284-K296 HydrophobicContact CD1-CD 4.19Å; I284-K296 VanDerWaalsContact CD1-CE 3.47Å; I284-K296 HydrophobicContact CD1-CG 3.61Å; I284-K296 HydrophobicContact CG1-CG 4.26Å
285T87.2Confident87.6Confident62 Ų6285.3 Ų85.338%0.3844%0.442SS..  trans-139.7135.7-179.556.50000110.6Q287 S288 Q295T285-Q287 PolarHBondContact O-N 2.85Å; T285-S288 PolarHBondContact O-N 3.3Å; T285-Q295 PolarHBondContact O-NE2 3.35Å; T285-Q295 PolarHBondContact O-OE1 2.81Å
286D83.2Confident87.2Confident162 Ų16287.2 Ų87.287%0.86645%0.453SS*.THydrogen-bonded Turntrans-73.3-11178.9-49.9-49.1000112.6S288D286-S288 VanDerWaalsContact C-N 3.33Å
287Q79.8Confident86.8Confident191 Ų19186.1 Ų86.189%0.89345%0.445SS*.THydrogen-bonded Turntrans-85.50.9176.1-63.2-179.1-7.300113.7T285T285-Q287 PolarHBondContact O-N 2.85Å
288S80.2Confident86.4Confident39 Ų3985.8 Ų85.827%0.27344%0.436SS..  trans-93.3131.3-179.1151.50000111.4T285 D286 L290 Q295T285-S288 PolarHBondContact O-N 3.3Å; D286-S288 VanDerWaalsContact C-N 3.33Å; S288-L290 PolarHBondContact O-N 2.97Å; S288-L290 PolarHBondContact OG-N 3.46Å; S288-L290 VanDerWaalsContact OG-N 3.14Å; S288-L290 PolarHBondContact OG-O 2.87Å; S288-Q295 PolarHBondContact OG-NE2 3.49Å
289E83.4Confident86.2Confident206 Ų20681.1 Ų81.196%0.96341%0.414SS*.SBendtrans-58.9-24.4173.1-61.1173.6170.400113.5
290L83Confident86.1Confident65 Ų6579.3 Ų79.334%0.3441%0.407SS..SBendtrans-76.2140.1176.5-60.2176.8000111.9S288 E294 Q295S288-L290 PolarHBondContact O-N 2.97Å; S288-L290 PolarHBondContact OG-N 3.46Å; S288-L290 VanDerWaalsContact OG-N 3.14Å; S288-L290 PolarHBondContact OG-O 2.87Å; L290-E294 HydrophobicContact CB-CB 4.11Å; L290-Q295 HydrophobicContact CB-CG 3.98Å; L290-Q295 PolarHBondContact O-NE2 3.38Å
291S86.3Confident86Confident50 Ų5076.7 Ų76.735%0.3540%0.397SS..  trans-60.6155.2176.468.30000112.4S293 E294 Q295S291-S293 PolarHBondContact O-N 3.25Å; S291-S293 VanDerWaalsContact O-N 3.1Å; S291-S293 PolarHBondContact OG-OG 3.29Å; S291-E294 VanDerWaalsContact CB-OE2 3.25Å; S291-E294 WeakPolarHBondContact CB-OE2 3.46Å; S291-E294 PolarHBondContact N-OE2 3.37Å; S291-E294 PolarHBondContact O-N 3.25Å; S291-E294 VanDerWaalsContact OG-CG 3.31Å; S291-E294 WeakPolarHBondContact OG-CG 3.3Å; S291-E294 PolarHBondContact OG-N 3.01Å; S291-E294 PolarHBondContact OG-OE2 3.47Å; S291-Q295 WeakPolarHBondContact O-CG 3.4Å; S291-Q295 PolarHBondContact O-N 2.83Å
292V87.1Confident86.1Confident71 Ų7171.4 Ų71.443%0.4338%0.379SS..Hα-helixtrans-56.5-30.9179.5176.30000112.7I284 K296I284-V292 HydrophobicContact CD1-CG1 4.46Å; I284-V292 HydrophobicContact CG2-CG1 4.28Å; V292-K296 HydrophobicContact CG1-CD 4.31Å; V292-K296 WeakPolarHBondContact O-CB 3.21Å; V292-K296 WeakPolarHBondContact O-CD 3.36Å; V292-K296 VanDerWaalsContact O-CG 3.24Å; V292-K296 WeakPolarHBondContact O-CG 3.46Å; V292-K296 PolarHBondContact O-N 3.33Å
293S85.5Confident86.5Confident85 Ų8569.9 Ų69.959%0.59437%0.369SS*.Hα-helixtrans-67.3-43.3171.831.60000113.3S291 K296 D297S291-S293 PolarHBondContact O-N 3.25Å; S291-S293 VanDerWaalsContact O-N 3.1Å; S291-S293 PolarHBondContact OG-OG 3.29Å; S293-K296 PolarHBondContact O-N 3.49Å; S293-D297 PolarHBondContact O-N 3.43Å
294E84.4Confident86.9Confident90 Ų9070.6 Ų70.642%0.42136%0.364SS..Hα-helixtrans-70.4-39.6177.6-69.7165.5111.500111.4L290 S291 K296 D297 R298L290-E294 HydrophobicContact CB-CB 4.11Å; S291-E294 VanDerWaalsContact CB-OE2 3.25Å; S291-E294 WeakPolarHBondContact CB-OE2 3.46Å; S291-E294 PolarHBondContact N-OE2 3.37Å; S291-E294 PolarHBondContact O-N 3.25Å; S291-E294 VanDerWaalsContact OG-CG 3.31Å; S291-E294 WeakPolarHBondContact OG-CG 3.3Å; S291-E294 PolarHBondContact OG-N 3.01Å; S291-E294 PolarHBondContact OG-OE2 3.47Å; E294-K296 VanDerWaalsContact C-N 3.28Å; E294-K296 PolarHBondContact O-N 2.84Å; E294-D297 PolarHBondContact O-N 3.45Å; E294-R298 VanDerWaalsContact O-CB 3.27Å; E294-R298 WeakPolarHBondContact O-CB 3.41Å; E294-R298 PolarHBondContact O-N 3.01Å
295Q86.8Confident87.4Confident17 Ų1766.8 Ų66.88%0.07934%0.344CS..Hα-helixtrans-59.6-37.7174.3-67.6-171.753.600112.2I284 T285 S288 L290 S291I284-Q295 HydrophobicContact CG2-CB 4.49Å; T285-Q295 PolarHBondContact O-NE2 3.35Å; T285-Q295 PolarHBondContact O-OE1 2.81Å; S288-Q295 PolarHBondContact OG-NE2 3.49Å; L290-Q295 HydrophobicContact CB-CG 3.98Å; L290-Q295 PolarHBondContact O-NE2 3.38Å; S291-Q295 WeakPolarHBondContact O-CG 3.4Å; S291-Q295 PolarHBondContact O-N 2.83Å
296K86.1Confident87.9Confident140 Ų14064.3 Ų64.361%0.60933%0.328SS*.Hα-helixtrans-69.2-32.1176.8-78.6171.4-179.4179.30114.1I284 V292 S293 E294I284-K296 HydrophobicContact CD1-CD 4.19Å; I284-K296 VanDerWaalsContact CD1-CE 3.47Å; I284-K296 HydrophobicContact CD1-CG 3.61Å; I284-K296 HydrophobicContact CG1-CG 4.26Å; V292-K296 HydrophobicContact CG1-CD 4.31Å; V292-K296 WeakPolarHBondContact O-CB 3.21Å; V292-K296 WeakPolarHBondContact O-CD 3.36Å; V292-K296 VanDerWaalsContact O-CG 3.24Å; V292-K296 WeakPolarHBondContact O-CG 3.46Å; V292-K296 PolarHBondContact O-N 3.33Å; S293-K296 PolarHBondContact O-N 3.49Å; E294-K296 VanDerWaalsContact C-N 3.28Å; E294-K296 PolarHBondContact O-N 2.84Å
297D85.9Confident88.6Confident38 Ų3856.6 Ų56.620%0.20329%0.287CS..Hα-helixtrans-87.6-26.6-178.4-1676.2000112.1K251 W252 S293 E294 V299K251-D297 CarbonylContact C-O 3.48Å; K251-D297 WeakPolarHBondContact CA-O 3.41Å; K251-D297 WeakPolarHBondContact CB-OD1 3.23Å; K251-D297 WeakPolarHBondContact CD-OD2 3.49Å; K251-D297 VanDerWaalsContact CE-OD2 3.26Å; K251-D297 WeakPolarHBondContact CE-OD2 3.35Å; K251-D297 HydrophobicContact CG-CB 4.45Å; K251-D297 VanDerWaalsContact CG-OD2 3.24Å; K251-D297 WeakPolarHBondContact CG-OD2 3.32Å; K251-D297 IonicContact NZ-OD2 2.74Å; K251-D297 PolarHBondContact NZ-OD2 2.97Å; W252-D297 PolarHBondContact N-O 2.94Å; W252-D297 PolarHBondContact N-OD1 2.89Å; S293-D297 PolarHBondContact O-N 3.43Å; E294-D297 PolarHBondContact O-N 3.45Å; D297-V299 PolarHBondContact O-N 3.38Å
298R86.1Confident89.4Confident64 Ų6447.5 Ų47.524%0.24224%0.244CC..EExtended strand (participates in β ladder)trans-67.9120.5-177.4-171169.4-169.8-85.3-5.1112.4W249 P282 E294W249-R298 VanDerWaalsContact CD2-CZ 3.49Å; W249-R298 VanDerWaalsContact CD2-NH2 3.3Å; W249-R298 HydrophobicContact CE3-CG 3.93Å; W249-R298 VanDerWaalsContact CE3-CZ 3.46Å; W249-R298 VanDerWaalsContact CG-NH2 3.32Å; W249-R298 HydrophobicContact CZ3-CG 4.39Å; P282-R298 VanDerWaalsContact CD-O 3.26Å; P282-R298 WeakPolarHBondContact CD-O 3.48Å; E294-R298 VanDerWaalsContact O-CB 3.27Å; E294-R298 WeakPolarHBondContact O-CB 3.41Å; E294-R298 PolarHBondContact O-N 3.01Å
299V88.2Confident90.1Very high0 Ų046 Ų460%023%0.233CC..EExtended strand (participates in β ladder)trans-128.1147.7178.7-77.10000111.1W249 S250 K251 W252 I279 R281 D297 F301W249-V299 CarbonylContact C-O 3.56Å; W249-V299 VanDerWaalsContact CA-O 3.28Å; W249-V299 WeakPolarHBondContact CA-O 3.14Å; S250-V299 PolarHBondContact N-O 3.3Å; S250-V299 WeakPolarHBondContact O-CG2 3.33Å; S250-V299 PolarHBondContact O-N 2.87Å; S250-V299 VanDerWaalsContact O-O 3.11Å; K251-V299 VanDerWaalsContact C-CG2 3.41Å; K251-V299 WeakPolarHBondContact O-CG2 3.43Å; W252-V299 HydrophobicContact CB-CG1 4.49Å; W252-V299 HydrophobicContact CE3-CG1 4.21Å; I279-V299 HydrophobicContact CG2-CB 4.29Å; I279-V299 HydrophobicContact CG2-CG1 4.35Å; R281-V299 HydrophobicContact CG-CG1 3.66Å; D297-V299 PolarHBondContact O-N 3.38Å; V299-F301 HydrophobicContact CB-CE2 4.33Å; V299-F301 HydrophobicContact CG2-CD2 3.99Å; V299-F301 HydrophobicContact CG2-CE2 3.35Å; V299-F301 HydrophobicContact CG2-CZ 3.89Å
300S89.3Confident90.5Very high22 Ų2239.5 Ų39.515%0.15420%0.2CC..EExtended strand (participates in β ladder)trans-103.7113.9166.4171.40000109.2F248 I279 Y280F248-S300 CarbonylContact O-C 3.54Å; F248-S300 WeakPolarHBondContact O-CA 3.32Å; I279-S300 WeakPolarHBondContact CA-O 3.33Å; Y280-S300 PolarHBondContact N-O 2.84Å; Y280-S300 PolarHBondContact O-N 3.14Å
301F89.1Confident91Very high5 Ų539.3 Ų39.32%0.02220%0.199CC..EExtended strand (participates in β ladder)trans-87.8138.1170.7-67.6-88000109.7S247 F248 W252 L254 I279 V299S247-F301 CarbonylContact C-O 3.46Å; S247-F301 VanDerWaalsContact CA-O 3.25Å; S247-F301 WeakPolarHBondContact CA-O 3.25Å; F248-F301 HydrophobicContact CD2-CB 4.31Å; F248-F301 HydrophobicContact CD2-CD2 4.43Å; F248-F301 HydrophobicContact CE1-CB 4.16Å; F248-F301 HydrophobicContact CE2-CB 3.74Å; F248-F301 AromaticContact CE2-CD2 3.75Å; F248-F301 HydrophobicContact CE2-CD2 3.75Å; F248-F301 HydrophobicContact CE2-CG 4.05Å; F248-F301 HydrophobicContact CZ-CB 3.66Å; F248-F301 HydrophobicContact CZ-CD2 4.34Å; F248-F301 HydrophobicContact CZ-CG 4.2Å; F248-F301 PolarHBondContact N-O 3.14Å; F248-F301 PolarHBondContact O-N 3.32Å; W252-F301 HydrophobicContact CE3-CZ 4.4Å; L254-F301 HydrophobicContact CB-CE2 4.18Å; L254-F301 HydrophobicContact CB-CZ 4.42Å; L254-F301 HydrophobicContact CD2-CD2 3.96Å; L254-F301 HydrophobicContact CD2-CE2 3.73Å; L254-F301 HydrophobicContact CD2-CZ 4.3Å; I279-F301 HydrophobicContact CD1-CD1 4.08Å; I279-F301 HydrophobicContact CD1-CE1 3.88Å; I279-F301 HydrophobicContact CG1-CD1 3.8Å; I279-F301 HydrophobicContact CG1-CE1 4.07Å; I279-F301 HydrophobicContact CG2-CD1 4.19Å; I279-F301 HydrophobicContact CG2-CE1 4.17Å; V299-F301 HydrophobicContact CB-CE2 4.33Å; V299-F301 HydrophobicContact CG2-CD2 3.99Å; V299-F301 HydrophobicContact CG2-CE2 3.35Å; V299-F301 HydrophobicContact CG2-CZ 3.89Å
302C93.6Very high91.5Very high17 Ų1738 Ų3812%0.11519%0.187CC..EExtended strand (participates in β ladder)trans-118.2124.8163.8-171.30000108.9S247 V277 E278S247-C302 PolarHBondContact OG-SG 3.02Å; V277-C302 PolarHBondContact N-O 2.95Å; E278-C302 HydrophobicContact CB-CB 4.06Å; E278-C302 PolarHBondContact N-O 2.85Å; E278-C302 PolarHBondContact O-N 3.48Å
303I94.7Very high92Very high0 Ų034.6 Ų34.60%017%0.167CC..EExtended strand (participates in β ladder)trans-126.3147.4-178.168.6174.3000111.3D245 M246 F248 W260 I263 I274 R275 V276 L305D245-I303 CarbonylContact C-O 3.59Å; D245-I303 WeakPolarHBondContact CA-O 3.19Å; M246-I303 HydrophobicContact CB-CG1 4.32Å; M246-I303 HydrophobicContact CE-CD1 4.03Å; M246-I303 HydrophobicContact CE-CG1 4.45Å; M246-I303 PolarHBondContact N-O 2.85Å; M246-I303 PolarHBondContact O-N 3.39Å; F248-I303 HydrophobicContact CE1-CD1 3.98Å; F248-I303 HydrophobicContact CE1-CG1 4.2Å; F248-I303 HydrophobicContact CE1-CG2 4.46Å; W260-I303 HydrophobicContact CH2-CD1 3.89Å; W260-I303 HydrophobicContact CH2-CG2 3.86Å; W260-I303 HydrophobicContact CZ3-CD1 3.57Å; I263-I303 HydrophobicContact CD1-CD1 4.04Å; I274-I303 HydrophobicContact CG2-CD1 4.34Å; R275-I303 CarbonylContact O-C 3.58Å; R275-I303 WeakPolarHBondContact O-CA 3.48Å; V276-I303 HydrophobicContact CG2-CG2 4.34Å; I303-L305 HydrophobicContact CD1-CD2 3.93Å; I303-L305 HydrophobicContact CG1-CD2 4.34Å
304R97.2Very high92.6Very high79 Ų7930.6 Ų30.630%0.29814%0.139SC..EExtended strand (participates in β ladder)trans-106.4118175.1-175.3163.6-75.9156.38.6109.6P243 D245 R275 V277 Y306P243-R304 HydrophobicContact CB-CG 4.03Å; D245-R304 VanDerWaalsContact OD1-CB 3.23Å; D245-R304 WeakPolarHBondContact OD1-CB 3.36Å; D245-R304 WeakPolarHBondContact OD1-CG 3.25Å; D245-R304 IonicContact OD1-CZ 3.87Å; D245-R304 IonicContact OD1-NE 3.38Å; D245-R304 PolarHBondContact OD1-NE 2.99Å; D245-R304 IonicContact OD1-NH2 2.68Å; D245-R304 PolarHBondContact OD1-NH2 3.26Å; D245-R304 IonicContact OD2-CZ 2.65Å; D245-R304 IonicContact OD2-NE 2.7Å; D245-R304 IonicContact OD2-NH2 3.47Å; D245-R304 PolarHBondContact OD2-NH2 3.02Å; R275-R304 PolarHBondContact N-O 2.76Å; R275-R304 PolarHBondContact O-N 3.14Å; V277-R304 HydrophobicContact CG2-CB 3.57Å; R304-Y306 HydrophobicContact CB-CE2 4.08Å; R304-Y306 VanDerWaalsContact CD-CZ 3.45Å; R304-Y306 VanDerWaalsContact CD-OH 3.23Å; R304-Y306 WeakPolarHBondContact CD-OH 3.46Å; R304-Y306 HydrophobicContact CG-CD2 4.1Å; R304-Y306 HydrophobicContact CG-CE1 4.38Å; R304-Y306 HydrophobicContact CG-CE2 3.58Å
305L97.7Very high93.2Very high0 Ų027.4 Ų27.40%013%0.126CC..EExtended strand (participates in β ladder)trans-93.4128.5171.5-53.9-173.4000108.6P243 L244 M246 I263 V271 I274 I303 W307 L326P243-L305 WeakPolarHBondContact CA-O 3.4Å; L244-L305 PolarHBondContact N-O 3.13Å; L244-L305 PolarHBondContact O-N 3.15Å; M246-L305 HydrophobicContact CE-CD1 3.87Å; I263-L305 HydrophobicContact CD1-CD2 4.2Å; I263-L305 HydrophobicContact CG2-CD1 4.37Å; I263-L305 HydrophobicContact CG2-CD2 4.28Å; V271-L305 HydrophobicContact CG1-CB 4.15Å; V271-L305 HydrophobicContact CG1-CD2 4.2Å; V271-L305 HydrophobicContact CG2-CB 4.17Å; V271-L305 HydrophobicContact CG2-CD1 4.26Å; I274-L305 HydrophobicContact CB-CD2 4.34Å; I274-L305 HydrophobicContact CD1-CD2 4.14Å; I274-L305 HydrophobicContact CG1-CD2 3.8Å; I274-L305 HydrophobicContact CG2-CD2 3.93Å; I303-L305 HydrophobicContact CD1-CD2 3.93Å; I303-L305 HydrophobicContact CG1-CD2 4.34Å; L305-W307 HydrophobicContact CD1-CZ2 4.28Å; L305-L326 HydrophobicContact CD1-CD2 3.32Å
306Y97.9Very high93.7Very high10 Ų1032.9 Ų32.94%0.03915%0.149CC..EExtended strand (participates in β ladder)trans-102.8101.6175.9-64.8-100.5000109.4L157 L235 F241 P243 K272 L273 R275 R304L157-Y306 HydrophobicContact CD1-CE1 4.1Å; L157-Y306 HydrophobicContact CD2-CD1 4.05Å; L157-Y306 HydrophobicContact CD2-CE1 3.43Å; L157-Y306 VanDerWaalsContact CD2-CE1 3.43Å; L157-Y306 HydrophobicContact CD2-CE2 4.35Å; L157-Y306 HydrophobicContact CG-CE1 4.39Å; L235-Y306 HydrophobicContact CD1-CD1 3.81Å; L235-Y306 HydrophobicContact CD1-CG 3.95Å; F241-Y306 HydrophobicContact CD2-CD1 4.03Å; F241-Y306 HydrophobicContact CE2-CD1 4.18Å; F241-Y306 HydrophobicContact CE2-CE1 4.43Å; P243-Y306 HydrophobicContact CB-CD1 3.86Å; P243-Y306 HydrophobicContact CB-CE1 3.79Å; K272-Y306 PolarHBondContact N-O 2.81Å; L273-Y306 HydrophobicContact CB-CD2 4.04Å; L273-Y306 HydrophobicContact CB-CG 4.34Å; L273-Y306 HydrophobicContact CD2-CD2 4.27Å; L273-Y306 HydrophobicContact CD2-CE2 4.43Å; L273-Y306 HydrophobicContact CG-CD2 4.12Å; L273-Y306 WeakPolarHBondContact O-CD2 3.48Å; L273-Y306 PolarHBondContact O-N 2.65Å; R275-Y306 HydrophobicContact CB-CE2 4.33Å; R275-Y306 HydrophobicContact CG-CE2 3.97Å; R304-Y306 HydrophobicContact CB-CE2 4.08Å; R304-Y306 VanDerWaalsContact CD-CZ 3.45Å; R304-Y306 VanDerWaalsContact CD-OH 3.23Å; R304-Y306 WeakPolarHBondContact CD-OH 3.46Å; R304-Y306 HydrophobicContact CG-CD2 4.1Å; R304-Y306 HydrophobicContact CG-CE1 4.38Å; R304-Y306 HydrophobicContact CG-CE2 3.58Å
307W97.8Very high94.1Very high0 Ų030.9 Ų30.90%014%0.142CC..EExtended strand (participates in β ladder)trans-83.3126.5179.4-59.881.8000110.4L225 F241 Y242 T267 F270 V271 L305 L314 A319 F322 Q323 L326L225-W307 HydrophobicContact CD2-CZ3 4.33Å; F241-W307 CarbonylContact C-O 3.57Å; F241-W307 VanDerWaalsContact CA-O 3.24Å; F241-W307 WeakPolarHBondContact CA-O 3.41Å; Y242-W307 PolarHBondContact N-O 2.74Å; Y242-W307 PolarHBondContact O-N 3.2Å; T267-W307 HydrophobicContact CG2-CH2 3.38Å; T267-W307 HydrophobicContact CG2-CZ2 4.27Å; T267-W307 HydrophobicContact CG2-CZ3 3.72Å; F270-W307 HydrophobicContact CB-CE3 4.01Å; F270-W307 HydrophobicContact CB-CZ3 4.26Å; F270-W307 CarbonylContact O-C 3.55Å; F270-W307 WeakPolarHBondContact O-CA 3.28Å; V271-W307 HydrophobicContact CG2-CD2 3.69Å; V271-W307 HydrophobicContact CG2-CE3 3.79Å; V271-W307 HydrophobicContact CG2-CG 4.38Å; V271-W307 HydrophobicContact CG2-CH2 3.85Å; V271-W307 HydrophobicContact CG2-CZ2 3.73Å; V271-W307 HydrophobicContact CG2-CZ3 3.86Å; L305-W307 HydrophobicContact CD1-CZ2 4.28Å; W307-L314 HydrophobicContact CB-CD2 4.12Å; W307-A319 HydrophobicContact CB-CB 3.95Å; W307-A319 HydrophobicContact CG-CB 4.07Å; W307-F322 HydrophobicContact CE3-CB 4.14Å; W307-F322 HydrophobicContact CE3-CD2 4.07Å; W307-F322 HydrophobicContact CH2-CB 3.42Å; W307-F322 VanDerWaalsContact CH2-CB 3.42Å; W307-F322 HydrophobicContact CZ2-CB 4.2Å; W307-F322 HydrophobicContact CZ3-CB 3.4Å; W307-F322 AromaticContact CZ3-CD2 3.8Å; W307-F322 HydrophobicContact CZ3-CD2 3.8Å; W307-F322 HydrophobicContact CZ3-CG 4.1Å; W307-Q323 HydrophobicContact CZ2-CB 4.19Å; W307-L326 HydrophobicContact CH2-CD2 4.46Å; W307-L326 HydrophobicContact CZ2-CD2 4.21Å
308Q97.1Very high94.7Very high0 Ų030.8 Ų30.80%014%0.141CC..EExtended strand (participates in β ladder)trans-154.8147.4179-175.4-175.561.700110.7L235 H236 F239 F241 F270 K272L235-Q308 HydrophobicContact CD2-CB 3.99Å; H236-Q308 PolarHBondContact O-NE2 3.4Å; F239-Q308 HydrophobicContact CB-CG 3.9Å; F239-Q308 PolarHBondContact O-NE2 3.25Å; F241-Q308 HydrophobicContact CB-CB 3.97Å; F241-Q308 HydrophobicContact CB-CG 4.13Å; F270-Q308 PolarHBondContact O-N 3.09Å; K272-Q308 HydrophobicContact CB-CB 4.45Å; K272-Q308 HydrophobicContact CG-CB 3.9Å
309S95.5Very high95.3Very high6 Ų627.7 Ų27.74%0.04213%0.13CC..  trans-132.5146.4174.4173.90000110.9E229 F239 L311 H312E229-S309 PolarHBondContact OE1-OG 3.44Å; E229-S309 WeakPolarHBondContact OE2-CB 3.48Å; E229-S309 PolarHBondContact OE2-OG 3.35Å; F239-S309 WeakPolarHBondContact CB-O 3.4Å; S309-L311 PolarHBondContact OG-N 3.31Å; S309-H312 WeakPolarHBondContact OG-CA 3.23Å; S309-H312 WeakPolarHBondContact OG-CB 3.34Å; S309-H312 PolarHBondContact OG-N 3.07Å; S309-H312 PolarHBondContact OG-O 3.31Å
310R91.8Very high95.7Very high70 Ų7030 Ų3026%0.26414%0.142SC..SBendtrans-98.8-32.6167.1172.2173-177.7168.56.5111.5E151 W153 E229 F239E151-R310 IonicContact OE1-CZ 2.62Å; E151-R310 IonicContact OE1-NH1 3.82Å; E151-R310 PolarHBondContact OE1-NH1 3.42Å; E151-R310 IonicContact OE1-NH2 3.84Å; E151-R310 PolarHBondContact OE1-NH2 3.21Å; W153-R310 HydrophobicContact CH2-CB 4.11Å; W153-R310 HydrophobicContact CZ2-CB 4.24Å; E229-R310 PolarHBondContact OE1-N 2.85Å; F239-R310 HydrophobicContact CD2-CB 3.79Å; F239-R310 HydrophobicContact CD2-CG 4.15Å; F239-R310 HydrophobicContact CE2-CB 3.64Å; F239-R310 HydrophobicContact CE2-CG 3.48Å; F239-R310 VanDerWaalsContact CE2-CG 3.48Å; F239-R310 HydrophobicContact CZ-CB 4.27Å; F239-R310 HydrophobicContact CZ-CG 3.71Å
311L93.3Very high96.1Very high61 Ų6131.9 Ų31.932%0.31915%0.15SC..SBendtrans-97-27.6-167.7-58.7179.2000113.6E229 S309E229-L311 PolarHBondContact OE1-N 3.08Å; S309-L311 PolarHBondContact OG-N 3.31Å
312H96.6Very high96.5Very high22 Ų2232 Ų3210%0.10215%0.151CC..SBendtrans-118.9153.6-171.3-59.186.9000112.4V177 P221 A223 S227 N228 E229 F270 S309 L314V177-H312 VanDerWaalsContact CG1-C 3.46Å; V177-H312 WeakPolarHBondContact CG1-O 3.44Å; P221-H312 WeakPolarHBondContact O-CA 3.35Å; A223-H312 HydrophobicContact CB-CB 3.91Å; S227-H312 WeakPolarHBondContact CB-NE2 3.39Å; N228-H312 PolarHBondContact O-CE1 3.18Å; E229-H312 IonicContact OE2-CE1 3.54Å; E229-H312 IonicContact OE2-CG 3.95Å; E229-H312 IonicContact OE2-ND1 2.62Å; E229-H312 PolarHBondContact OE2-ND1 3.45Å; F270-H312 HydrophobicContact CE1-CB 4.22Å; F270-H312 HydrophobicContact CZ-CB 4.36Å; F270-H312 AromaticContact CZ-ND1 3.81Å; S309-H312 WeakPolarHBondContact OG-CA 3.23Å; S309-H312 WeakPolarHBondContact OG-CB 3.34Å; S309-H312 PolarHBondContact OG-N 3.07Å; S309-H312 PolarHBondContact OG-O 3.31Å; H312-L314 PolarHBondContact O-N 2.66Å
313A97.3Very high96.6Very high0 Ų031.3 Ų31.30%015%0.146CC..BIsolated β-bridgetrans-75.690.4171.700000110.2P221 F222 A223P221-A313 PolarHBondContact O-N 3.24Å; F222-A313 WeakPolarHBondContact CA-O 3.29Å; F222-A313 HydrophobicContact CD1-CB 3.8Å; F222-A313 WeakPolarHBondContact CD1-O 3.43Å; F222-A313 HydrophobicContact CE1-CB 4.11Å; F222-A313 HydrophobicContact CG-CB 4.37Å; A223-A313 PolarHBondContact N-O 3.27Å; A223-A313 VanDerWaalsContact N-O 3.08Å
314L97.7Very high96.6Very high2 Ų235.9 Ų35.91%0.0117%0.167CC..  trans-89.1120.1175.7-17768.9000111.1S172 A223 Y242 W307 H312 L318 A319 F322S172-L314 PolarHBondContact OG-N 2.75Å; S172-L314 PolarHBondContact OG-O 2.91Å; S172-L314 VanDerWaalsContact OG-O 3.04Å; A223-L314 HydrophobicContact CB-CB 4.21Å; A223-L314 HydrophobicContact CB-CD1 3.79Å; Y242-L314 HydrophobicContact CD2-CD2 3.95Å; Y242-L314 HydrophobicContact CD2-CG 4.13Å; Y242-L314 HydrophobicContact CE2-CB 4.43Å; Y242-L314 HydrophobicContact CE2-CD2 4.09Å; Y242-L314 HydrophobicContact CE2-CG 3.9Å; Y242-L314 VanDerWaalsContact CE2-O 3.23Å; Y242-L314 WeakPolarHBondContact CE2-O 3.29Å; Y242-L314 PolarHBondContact OH-O 3.14Å; W307-L314 HydrophobicContact CB-CD2 4.12Å; H312-L314 PolarHBondContact O-N 2.66Å; L314-L318 HydrophobicContact CD1-CB 4.09Å; L314-A319 HydrophobicContact CD1-CB 4.48Å; L314-F322 HydrophobicContact CD1-CD2 4.31Å; L314-F322 HydrophobicContact CD1-CE2 3.87Å
315T97.4Very high96.6Very high23 Ų2336.4 Ų36.414%0.14117%0.173CC..  trans-102.3163.4176.878.70000111.5F222 Q317 L318 A319F222-T315 HydrophobicContact CD1-CG2 4.06Å; F222-T315 HydrophobicContact CE1-CG2 3.88Å; T315-Q317 PolarHBondContact O-N 2.88Å; T315-Q317 PolarHBondContact OG1-N 2.84Å; T315-L318 HydrophobicContact CG2-CD1 4.19Å; T315-L318 PolarHBondContact O-N 3.17Å; T315-L318 PolarHBondContact OG1-N 3.47Å; T315-L318 VanDerWaalsContact OG1-N 3.13Å; T315-A319 PolarHBondContact O-N 3.17Å
316K96.7Very high96.5Very high131 Ų13136.4 Ų36.457%0.5717%0.173SC*.Hα-helixtrans-58.4-34.8171.9-166.5-163.6171.1-165.50111.6Y242 N320Y242-K316 HydrophobicContact CD1-CB 3.76Å; Y242-K316 HydrophobicContact CD1-CG 3.96Å; Y242-K316 HydrophobicContact CE1-CB 3.68Å; Y242-K316 HydrophobicContact CE1-CG 4.38Å; K316-N320 PolarHBondContact O-N 3.02Å
317Q96.2Very high96.3Very high98 Ų9838.1 Ų38.146%0.45818%0.181SC..Hα-helixtrans-67.4-50.5179.7-171.457.846.700110.3T315 A319 N320 D321T315-Q317 PolarHBondContact O-N 2.88Å; T315-Q317 PolarHBondContact OG1-N 2.84Å; Q317-A319 VanDerWaalsContact C-N 3.31Å; Q317-A319 PolarHBondContact O-N 2.85Å; Q317-N320 WeakPolarHBondContact O-CB 3.48Å; Q317-N320 PolarHBondContact O-N 2.65Å; Q317-D321 WeakPolarHBondContact CG-OD2 3.48Å; Q317-D321 PolarHBondContact NE2-OD1 3.3Å; Q317-D321 PolarHBondContact O-N 2.7Å
318L97.6Very high96Very high36 Ų3642.2 Ų42.219%0.18821%0.206CC..Hα-helixtrans-57.7-42.8176.1-66.5171.6000112F222 A223 L314 T315 N320 D321 F322F222-L318 HydrophobicContact CB-CD1 4.08Å; F222-L318 HydrophobicContact CD1-CD1 4.1Å; A223-L318 HydrophobicContact CB-CD1 4.31Å; L314-L318 HydrophobicContact CD1-CB 4.09Å; T315-L318 HydrophobicContact CG2-CD1 4.19Å; T315-L318 PolarHBondContact O-N 3.17Å; T315-L318 PolarHBondContact OG1-N 3.47Å; T315-L318 VanDerWaalsContact OG1-N 3.13Å; L318-N320 VanDerWaalsContact C-N 3.34Å; L318-N320 PolarHBondContact O-N 2.84Å; L318-D321 PolarHBondContact O-N 2.92Å; L318-F322 HydrophobicContact CB-CE1 4.43Å; L318-F322 HydrophobicContact CB-CE2 4.29Å; L318-F322 HydrophobicContact CB-CZ 4.06Å; L318-F322 HydrophobicContact CD2-CE1 4.42Å; L318-F322 HydrophobicContact CD2-CZ 4.43Å; L318-F322 WeakPolarHBondContact O-CB 3.38Å; L318-F322 VanDerWaalsContact O-CD1 3.25Å; L318-F322 WeakPolarHBondContact O-CD1 3.31Å; L318-F322 WeakPolarHBondContact O-CD2 3.34Å; L318-F322 WeakPolarHBondContact O-CG 3.19Å; L318-F322 PolarHBondContact O-N 3.11Å
319A98Very high95.9Very high0 Ų043.9 Ų43.90%021%0.213CC..Hα-helixtrans-61-39.5175.400000113Y242 L244 W307 L314 T315 Q317 Q323Y242-A319 HydrophobicContact CD2-CB 4.09Å; Y242-A319 HydrophobicContact CG-CB 4.16Å; L244-A319 VanDerWaalsContact CD1-C 3.46Å; L244-A319 HydrophobicContact CD1-CB 3.92Å; L244-A319 VanDerWaalsContact CD1-O 3.3Å; L244-A319 WeakPolarHBondContact CD1-O 3.19Å; W307-A319 HydrophobicContact CB-CB 3.95Å; W307-A319 HydrophobicContact CG-CB 4.07Å; L314-A319 HydrophobicContact CD1-CB 4.48Å; T315-A319 PolarHBondContact O-N 3.17Å; Q317-A319 VanDerWaalsContact C-N 3.31Å; Q317-A319 PolarHBondContact O-N 2.85Å; A319-Q323 WeakPolarHBondContact O-CB 3.47Å; A319-Q323 PolarHBondContact O-N 3.3Å
320N97.4Very high95.7Very high47 Ų4743.6 Ų43.625%0.25121%0.211SC..Hα-helixtrans-65.2-48.4172.2-73-8.5000111.2L244 K316 Q317 L318 F322 Q323 E324L244-N320 WeakPolarHBondContact CD1-OD1 3.33Å; L244-N320 VanDerWaalsContact CD2-OD1 3.32Å; L244-N320 WeakPolarHBondContact CD2-OD1 3.23Å; K316-N320 PolarHBondContact O-N 3.02Å; Q317-N320 WeakPolarHBondContact O-CB 3.48Å; Q317-N320 PolarHBondContact O-N 2.65Å; L318-N320 VanDerWaalsContact C-N 3.34Å; L318-N320 PolarHBondContact O-N 2.84Å; N320-F322 PolarHBondContact O-N 3.34Å; N320-Q323 WeakPolarHBondContact O-CA 3.36Å; N320-Q323 WeakPolarHBondContact O-CB 3.23Å; N320-Q323 PolarHBondContact O-N 2.97Å; N320-E324 PolarHBondContact O-N 2.82Å
321D97Very high95.5Very high63 Ų6341 Ų4134%0.33720%0.203SC..Hα-helixtrans-62.2-32.6-177.7-58.5-29000111.4Q317 L318 Q325Q317-D321 WeakPolarHBondContact CG-OD2 3.48Å; Q317-D321 PolarHBondContact NE2-OD1 3.3Å; Q317-D321 PolarHBondContact O-N 2.7Å; L318-D321 PolarHBondContact O-N 2.92Å; D321-Q325 WeakPolarHBondContact O-CG 3.44Å; D321-Q325 PolarHBondContact O-N 3.43Å; D321-Q325 PolarHBondContact O-NE2 2.88Å
322F97.6Very high95.3Very high6 Ų643.5 Ų43.53%0.02621%0.213CC..Hα-helixtrans-74.9-36.6172.6-60.2-10.8000112.5A223 L225 W307 L314 L318 N320 E324 Q325 L326A223-F322 HydrophobicContact CB-CE2 4.02Å; A223-F322 HydrophobicContact CB-CZ 4.14Å; A223-F322 WeakPolarHBondContact O-CZ 3.45Å; L225-F322 HydrophobicContact CD1-CB 4.42Å; L225-F322 HydrophobicContact CD1-CD1 4.17Å; L225-F322 HydrophobicContact CD1-CG 4.35Å; L225-F322 HydrophobicContact CD2-CB 3.98Å; L225-F322 HydrophobicContact CD2-CD1 4.06Å; L225-F322 HydrophobicContact CD2-CD2 3.72Å; L225-F322 HydrophobicContact CD2-CE2 4.2Å; L225-F322 HydrophobicContact CD2-CG 3.65Å; L225-F322 HydrophobicContact CG-CB 4.4Å; L225-F322 HydrophobicContact CG-CD1 3.75Å; L225-F322 HydrophobicContact CG-CD2 4.3Å; L225-F322 HydrophobicContact CG-CE1 4.07Å; L225-F322 HydrophobicContact CG-CG 3.89Å; L225-F322 HydrophobicContact CG-CZ 4.47Å; W307-F322 HydrophobicContact CE3-CB 4.14Å; W307-F322 HydrophobicContact CE3-CD2 4.07Å; W307-F322 HydrophobicContact CH2-CB 3.42Å; W307-F322 VanDerWaalsContact CH2-CB 3.42Å; W307-F322 HydrophobicContact CZ2-CB 4.2Å; W307-F322 HydrophobicContact CZ3-CB 3.4Å; W307-F322 AromaticContact CZ3-CD2 3.8Å; W307-F322 HydrophobicContact CZ3-CD2 3.8Å; W307-F322 HydrophobicContact CZ3-CG 4.1Å; L314-F322 HydrophobicContact CD1-CD2 4.31Å; L314-F322 HydrophobicContact CD1-CE2 3.87Å; L318-F322 HydrophobicContact CB-CE1 4.43Å; L318-F322 HydrophobicContact CB-CE2 4.29Å; L318-F322 HydrophobicContact CB-CZ 4.06Å; L318-F322 HydrophobicContact CD2-CE1 4.42Å; L318-F322 HydrophobicContact CD2-CZ 4.43Å; L318-F322 WeakPolarHBondContact O-CB 3.38Å; L318-F322 VanDerWaalsContact O-CD1 3.25Å; L318-F322 WeakPolarHBondContact O-CD1 3.31Å; L318-F322 WeakPolarHBondContact O-CD2 3.34Å; L318-F322 WeakPolarHBondContact O-CG 3.19Å; L318-F322 PolarHBondContact O-N 3.11Å; N320-F322 PolarHBondContact O-N 3.34Å; F322-E324 VanDerWaalsContact C-N 3.34Å; F322-E324 PolarHBondContact O-N 3.41Å; F322-Q325 PolarHBondContact O-N 2.98Å; F322-L326 WeakPolarHBondContact O-CB 3.27Å; F322-L326 PolarHBondContact O-N 3.16Å
323Q96.6Very high94.9Very high4 Ų444.2 Ų44.22%0.01922%0.215CC..Hα-helixtrans-60.4-42.3173.1-172.7103-21.200111L244 D245 W307 A319 N320 L326 K327L244-Q323 VanDerWaalsContact C-NE2 3.31Å; L244-Q323 HydrophobicContact CB-CG 4.45Å; L244-Q323 HydrophobicContact CD1-CB 4.08Å; L244-Q323 PolarHBondContact O-NE2 2.92Å; D245-Q323 VanDerWaalsContact C-NE2 3.3Å; D245-Q323 PolarHBondContact O-NE2 3.46Å; W307-Q323 HydrophobicContact CZ2-CB 4.19Å; A319-Q323 WeakPolarHBondContact O-CB 3.47Å; A319-Q323 PolarHBondContact O-N 3.3Å; N320-Q323 WeakPolarHBondContact O-CA 3.36Å; N320-Q323 WeakPolarHBondContact O-CB 3.23Å; N320-Q323 PolarHBondContact O-N 2.97Å; Q323-L326 PolarHBondContact O-N 2.79Å; Q323-K327 WeakPolarHBondContact O-CG 3.41Å; Q323-K327 PolarHBondContact O-N 3.38Å
324E94.9Very high94.3Very high96 Ų9644.2 Ų44.245%0.44922%0.215SC..Hα-helixtrans-68-40.9176.9-58.5-45.7129.700112.3N320 F322 L326 K327 V328N320-E324 PolarHBondContact O-N 2.82Å; F322-E324 VanDerWaalsContact C-N 3.34Å; F322-E324 PolarHBondContact O-N 3.41Å; E324-L326 VanDerWaalsContact C-N 3.33Å; E324-L326 PolarHBondContact O-N 3.25Å; E324-K327 PolarHBondContact O-N 2.99Å; E324-K327 WeakPolarHBondContact OE1-CE 3.41Å; E324-K327 IonicContact OE1-NZ 3.18Å; E324-K327 PolarHBondContact OE1-NZ 2.87Å; E324-K327 WeakPolarHBondContact OE2-CD 3.22Å; E324-K327 WeakPolarHBondContact OE2-CE 3.41Å; E324-K327 IonicContact OE2-NZ 2.87Å; E324-K327 PolarHBondContact OE2-NZ 2.94Å; E324-V328 PolarHBondContact O-N 2.8Å
325Q96.2Very high93.6Very high89 Ų8952.7 Ų52.742%0.41625%0.247SC..Hα-helixtrans-60.7-41.9172.6-75.9169.186.700111.9L225 F266 D321 F322 K327 V328 H329L225-Q325 HydrophobicContact CD1-CB 4.24Å; F266-Q325 HydrophobicContact CE1-CB 4.3Å; F266-Q325 HydrophobicContact CZ-CB 4.19Å; D321-Q325 WeakPolarHBondContact O-CG 3.44Å; D321-Q325 PolarHBondContact O-N 3.43Å; D321-Q325 PolarHBondContact O-NE2 2.88Å; F322-Q325 PolarHBondContact O-N 2.98Å; Q325-K327 PolarHBondContact O-N 3.27Å; Q325-V328 PolarHBondContact O-N 2.68Å; Q325-H329 WeakPolarHBondContact O-CB 3.44Å; Q325-H329 PolarHBondContact O-N 3.49Å
326L95.8Very high92.9Very high0 Ų056.3 Ų56.30%027%0.273CS..Hα-helixtrans-63.6-39.1176.5178.365.7000112.3M246 I263 F266 T267 L305 W307 F322 Q323 E324 V328 H329 L330M246-L326 HydrophobicContact CE-CD2 4.09Å; M246-L326 HydrophobicContact CE-CG 4.49Å; I263-L326 HydrophobicContact CG1-CD1 4.2Å; I263-L326 HydrophobicContact CG1-CD2 4.32Å; I263-L326 HydrophobicContact CG2-CD2 4.04Å; F266-L326 HydrophobicContact CB-CD1 4.22Å; F266-L326 HydrophobicContact CD1-CB 4.11Å; F266-L326 HydrophobicContact CD1-CD1 3.51Å; F266-L326 HydrophobicContact CD1-CG 4.41Å; F266-L326 HydrophobicContact CE1-CB 4Å; F266-L326 HydrophobicContact CE1-CD1 4.22Å; F266-L326 HydrophobicContact CG-CD1 4.1Å; T267-L326 HydrophobicContact CG2-CD1 4.15Å; T267-L326 HydrophobicContact CG2-CD2 3.99Å; T267-L326 HydrophobicContact CG2-CG 4.49Å; L305-L326 HydrophobicContact CD1-CD2 3.32Å; W307-L326 HydrophobicContact CH2-CD2 4.46Å; W307-L326 HydrophobicContact CZ2-CD2 4.21Å; F322-L326 WeakPolarHBondContact O-CB 3.27Å; F322-L326 PolarHBondContact O-N 3.16Å; Q323-L326 PolarHBondContact O-N 2.79Å; E324-L326 VanDerWaalsContact C-N 3.33Å; E324-L326 PolarHBondContact O-N 3.25Å; L326-V328 VanDerWaalsContact C-N 3.35Å; L326-V328 PolarHBondContact O-N 3.24Å; L326-H329 PolarHBondContact O-N 3.48Å; L326-L330 HydrophobicContact CD1-CD1 3.97Å; L326-L330 HydrophobicContact CD1-CD2 4.23Å; L326-L330 HydrophobicContact CD1-CG 3.78Å; L326-L330 HydrophobicContact CD2-CD1 4.46Å; L326-L330 HydrophobicContact CG-CD1 3.9Å; L326-L330 HydrophobicContact CG-CG 4.13Å; L326-L330 WeakPolarHBondContact O-CB 3.49Å; L326-L330 WeakPolarHBondContact O-CG 3.02Å; L326-L330 PolarHBondContact O-N 2.7Å
327K93.1Very high92.1Very high47 Ų4754.3 Ų54.320%0.20427%0.269CS..Hα-helixtrans-59.6-44.5174.6-71.5172.6-163.1170.10112M246 Q323 E324 Q325 T331M246-K327 HydrophobicContact CG-CG 4.36Å; M246-K327 HydrophobicContact SD-CG 3.61Å; Q323-K327 WeakPolarHBondContact O-CG 3.41Å; Q323-K327 PolarHBondContact O-N 3.38Å; E324-K327 PolarHBondContact O-N 2.99Å; E324-K327 WeakPolarHBondContact OE1-CE 3.41Å; E324-K327 IonicContact OE1-NZ 3.18Å; E324-K327 PolarHBondContact OE1-NZ 2.87Å; E324-K327 WeakPolarHBondContact OE2-CD 3.22Å; E324-K327 WeakPolarHBondContact OE2-CE 3.41Å; E324-K327 IonicContact OE2-NZ 2.87Å; E324-K327 PolarHBondContact OE2-NZ 2.94Å; Q325-K327 PolarHBondContact O-N 3.27Å; K327-T331 WeakPolarHBondContact O-CB 3.29Å; K327-T331 PolarHBondContact O-N 2.71Å; K327-T331 VanDerWaalsContact O-N 3.11Å; K327-T331 PolarHBondContact O-OG1 3.49Å
328V92.2Very high91Very high86 Ų8657.6 Ų57.652%0.52129%0.286SS..Hα-helixtrans-63.2-47.7177.5175.80000110.1E324 Q325 L326 T331 Q332E324-V328 PolarHBondContact O-N 2.8Å; Q325-V328 PolarHBondContact O-N 2.68Å; L326-V328 VanDerWaalsContact C-N 3.35Å; L326-V328 PolarHBondContact O-N 3.24Å; V328-T331 WeakPolarHBondContact O-CB 3.49Å; V328-T331 PolarHBondContact O-N 2.76Å; V328-Q332 PolarHBondContact O-N 3.09Å; V328-Q332 VanDerWaalsContact O-N 3.17Å
329H94.1Very high89.7Confident35 Ų3557.7 Ų57.716%0.16229%0.287CS..Hα-helixtrans-59.5-52178.3177.769.8000112.9E262 F266 Q325 L326 T331 Q332 W333E262-H329 IonicContact OE1-CD2 2.74Å; E262-H329 IonicContact OE1-CE1 2.66Å; E262-H329 PolarHBondContact OE1-CE1 3.44Å; E262-H329 IonicContact OE1-NE2 2.75Å; E262-H329 PolarHBondContact OE1-NE2 3.49Å; F266-H329 HydrophobicContact CD1-CB 4.41Å; F266-H329 HydrophobicContact CD2-CB 3.74Å; F266-H329 AromaticContact CD2-CD2 3.36Å; F266-H329 WeakPolarHBondContact CD2-CD2 3.03Å; F266-H329 AromaticContact CD2-CE1 3.74Å; F266-H329 AromaticContact CD2-CG 3.17Å; F266-H329 AromaticContact CD2-ND1 3.44Å; F266-H329 WeakPolarHBondContact CD2-ND1 3.25Å; F266-H329 AromaticContact CD2-NE2 3.7Å; F266-H329 HydrophobicContact CE1-CB 4.18Å; F266-H329 HydrophobicContact CE2-CB 3.47Å; F266-H329 VanDerWaalsContact CE2-CB 3.47Å; F266-H329 AromaticContact CE2-CG 3.38Å; F266-H329 AromaticContact CE2-ND1 3.62Å; F266-H329 HydrophobicContact CG-CB 4.2Å; F266-H329 AromaticContact CG-CD2 3.52Å; F266-H329 AromaticContact CG-CG 3.73Å; F266-H329 HydrophobicContact CZ-CB 3.7Å; Q325-H329 WeakPolarHBondContact O-CB 3.44Å; Q325-H329 PolarHBondContact O-N 3.49Å; L326-H329 PolarHBondContact O-N 3.48Å; H329-T331 PolarHBondContact O-N 2.91Å; H329-Q332 CarbonylContact O-C 3.55Å; H329-Q332 WeakPolarHBondContact O-CA 3.28Å; H329-Q332 WeakPolarHBondContact O-CB 3.36Å; H329-Q332 PolarHBondContact O-N 2.89Å; H329-W333 PolarHBondContact O-N 2.83Å
330L91.9Very high88.1Confident0 Ų060.9 Ų60.90%031%0.307CS..Hα-helixtrans-61-34.2178.7-69.4178.1000112.2M246 L259 E262 I263 L326 Q332 W333 C334 F341M246-L330 HydrophobicContact CE-CD1 3.55Å; M246-L330 HydrophobicContact SD-CD1 4.26Å; L259-L330 HydrophobicContact CD1-CD1 4.28Å; L259-L330 HydrophobicContact CD1-CD2 3.67Å; E262-L330 HydrophobicContact CG-CD2 4.2Å; I263-L330 HydrophobicContact CD1-CD1 4.05Å; I263-L330 HydrophobicContact CG1-CD1 4Å; I263-L330 HydrophobicContact CG1-CD2 4.1Å; L326-L330 HydrophobicContact CD1-CD1 3.97Å; L326-L330 HydrophobicContact CD1-CD2 4.23Å; L326-L330 HydrophobicContact CD1-CG 3.78Å; L326-L330 HydrophobicContact CD2-CD1 4.46Å; L326-L330 HydrophobicContact CG-CD1 3.9Å; L326-L330 HydrophobicContact CG-CG 4.13Å; L326-L330 WeakPolarHBondContact O-CB 3.49Å; L326-L330 WeakPolarHBondContact O-CG 3.02Å; L326-L330 PolarHBondContact O-N 2.7Å; L330-Q332 VanDerWaalsContact C-N 3.29Å; L330-Q332 PolarHBondContact O-N 2.87Å; L330-W333 HydrophobicContact CD2-CE3 4.5Å; L330-W333 PolarHBondContact O-N 3.33Å; L330-C334 VanDerWaalsContact O-CB 3.31Å; L330-C334 WeakPolarHBondContact O-CB 3.34Å; L330-C334 PolarHBondContact O-N 3.22Å; L330-C334 PolarHBondContact O-SG 2.69Å; L330-C334 VanDerWaalsContact O-SG 3.33Å; L330-F341 HydrophobicContact CB-CE1 4.37Å; L330-F341 HydrophobicContact CB-CZ 4.02Å
331T87.7Confident86.6Confident16 Ų1659.7 Ų59.710%0.09830%0.3CS..Hα-helixtrans-64-35174.2-56.10000111.8K327 V328 H329 R335 P343K327-T331 WeakPolarHBondContact O-CB 3.29Å; K327-T331 PolarHBondContact O-N 2.71Å; K327-T331 VanDerWaalsContact O-N 3.11Å; K327-T331 PolarHBondContact O-OG1 3.49Å; V328-T331 WeakPolarHBondContact O-CB 3.49Å; V328-T331 PolarHBondContact O-N 2.76Å; H329-T331 PolarHBondContact O-N 2.91Å; T331-R335 VanDerWaalsContact O-CD 3.27Å; T331-R335 WeakPolarHBondContact O-CD 3.42Å; T331-R335 WeakPolarHBondContact O-CG 3.46Å; T331-P343 HydrophobicContact CG2-CG 4.22Å; T331-P343 WeakPolarHBondContact OG1-CG 3.31Å
332Q88.7Confident85Confident112 Ų11261.7 Ų61.752%0.52331%0.307SS..Hα-helixtrans-77.4-44175-66.7174-6.800112.1V328 H329 L330 R335 S336V328-Q332 PolarHBondContact O-N 3.09Å; V328-Q332 VanDerWaalsContact O-N 3.17Å; H329-Q332 CarbonylContact O-C 3.55Å; H329-Q332 WeakPolarHBondContact O-CA 3.28Å; H329-Q332 WeakPolarHBondContact O-CB 3.36Å; H329-Q332 PolarHBondContact O-N 2.89Å; L330-Q332 VanDerWaalsContact C-N 3.29Å; L330-Q332 PolarHBondContact O-N 2.87Å; Q332-R335 PolarHBondContact O-N 3.18Å; Q332-S336 WeakPolarHBondContact O-CB 3.13Å; Q332-S336 PolarHBondContact O-N 3.43Å; Q332-S336 PolarHBondContact O-OG 2.91Å
333W88.9Confident83.3Confident37 Ų3763 Ų6314%0.1432%0.316CS..Hα-helixtrans-61-48.2178.8177.285.8000111.7L259 E262 H329 L330 R335 S336 N337 I339L259-W333 HydrophobicContact CD1-CE3 4.49Å; L259-W333 HydrophobicContact CD1-CZ3 3.97Å; E262-W333 HydrophobicContact CB-CD2 4.33Å; E262-W333 HydrophobicContact CB-CH2 4.49Å; E262-W333 HydrophobicContact CB-CZ2 4.06Å; E262-W333 HydrophobicContact CG-CD2 3.72Å; E262-W333 HydrophobicContact CG-CE3 4.34Å; E262-W333 HydrophobicContact CG-CG 3.78Å; E262-W333 HydrophobicContact CG-CZ2 4.3Å; H329-W333 PolarHBondContact O-N 2.83Å; L330-W333 HydrophobicContact CD2-CE3 4.5Å; L330-W333 PolarHBondContact O-N 3.33Å; W333-R335 PolarHBondContact O-N 2.73Å; W333-S336 PolarHBondContact O-N 3.03Å; W333-N337 PolarHBondContact NE1-ND2 3.28Å; W333-N337 PolarHBondContact O-N 3.45Å; W333-N337 PolarHBondContact O-ND2 3.33Å; W333-I339 HydrophobicContact CE3-CD1 4.22Å; W333-I339 HydrophobicContact CH2-CD1 3.53Å; W333-I339 HydrophobicContact CZ2-CD1 4.32Å; W333-I339 HydrophobicContact CZ3-CD1 3.48Å; W333-I339 VanDerWaalsContact CZ3-CD1 3.48Å
334C83.9Confident81.3Confident1 Ų166.3 Ų66.31%0.00734%0.34CS..Hα-helixtrans-61.6-44.4178.5-72.40000112.1L330 S336 N337 M338 I339 F341L330-C334 VanDerWaalsContact O-CB 3.31Å; L330-C334 WeakPolarHBondContact O-CB 3.34Å; L330-C334 PolarHBondContact O-N 3.22Å; L330-C334 PolarHBondContact O-SG 2.69Å; L330-C334 VanDerWaalsContact O-SG 3.33Å; C334-S336 VanDerWaalsContact C-N 3.31Å; C334-S336 PolarHBondContact O-N 2.81Å; C334-N337 CarbonylContact O-C 3.4Å; C334-N337 PolarHBondContact O-N 2.91Å; C334-M338 PolarHBondContact O-N 2.89Å; C334-M338 VanDerWaalsContact O-N 3.16Å; C334-I339 CarbonylContact C-O 3.52Å; C334-I339 HydrophobicContact CB-CB 3.98Å; C334-I339 HydrophobicContact CB-CG2 4.29Å; C334-I339 PolarHBondContact O-N 2.84Å; C334-F341 HydrophobicContact CB-CB 3.28Å; C334-F341 HydrophobicContact CB-CD1 4.18Å; C334-F341 HydrophobicContact CB-CD2 4.34Å; C334-F341 HydrophobicContact CB-CG 3.73Å; C334-F341 VanDerWaalsContact SG-CB 3.58Å; C334-F341 WeakPolarHBondContact SG-CD2 3.42Å; C334-F341 VanDerWaalsContact SG-CG 3.5Å
335R83.1Confident78.9Confident180 Ų18066.2 Ų66.268%0.67934%0.342SS*.Hα-helixtrans-56-45.5173.7-74.6170.8-177.7178.3-0.5111.8T331 Q332 W333 N337 M338T331-R335 VanDerWaalsContact O-CD 3.27Å; T331-R335 WeakPolarHBondContact O-CD 3.42Å; T331-R335 WeakPolarHBondContact O-CG 3.46Å; Q332-R335 PolarHBondContact O-N 3.18Å; W333-R335 PolarHBondContact O-N 2.73Å; R335-N337 VanDerWaalsContact C-N 3.3Å; R335-N337 PolarHBondContact O-N 3.19Å; R335-M338 PolarHBondContact O-N 2.9Å
336S84.1Confident76.1Confident99 Ų9973.1 Ų73.169%0.69236%0.364SS*.Hα-helixtrans-68.3-27.2-178.5-52.90000113.3Q332 W333 C334Q332-S336 WeakPolarHBondContact O-CB 3.13Å; Q332-S336 PolarHBondContact O-N 3.43Å; Q332-S336 PolarHBondContact O-OG 2.91Å; W333-S336 PolarHBondContact O-N 3.03Å; C334-S336 VanDerWaalsContact C-N 3.31Å; C334-S336 PolarHBondContact O-N 2.81Å
337N79.5Confident73.1Confident88 Ų8880.5 Ų80.547%0.47140%0.403SS..THydrogen-bonded Turntrans-96.510.9177.3-70.3-92.1000112.8W333 C334 R335 I339W333-N337 PolarHBondContact NE1-ND2 3.28Å; W333-N337 PolarHBondContact O-N 3.45Å; W333-N337 PolarHBondContact O-ND2 3.33Å; C334-N337 CarbonylContact O-C 3.4Å; C334-N337 PolarHBondContact O-N 2.91Å; R335-N337 VanDerWaalsContact C-N 3.3Å; R335-N337 PolarHBondContact O-N 3.19Å; N337-I339 HydrophobicContact CB-CD1 3.86Å; N337-I339 HydrophobicContact CB-CG1 3.94Å; N337-I339 PolarHBondContact O-N 2.76Å
338M72.9Confident70.2Confident167 Ų16786.4 Ų86.482%0.82343%0.43SS*.THydrogen-bonded Turntrans5422.5-173.9-62.2-62.7-69.600114.4C334 R335 P340C334-M338 PolarHBondContact O-N 2.89Å; C334-M338 VanDerWaalsContact O-N 3.16Å; R335-M338 PolarHBondContact O-N 2.9Å; M338-P340 VanDerWaalsContact O-CD 3.31Å; M338-P340 WeakPolarHBondContact O-CD 3.42Å
339I69.6Low67.5Low39 Ų3988.3 Ų88.320%0.244%0.436CS..  trans-78.1115.5173.8-60.4170.3000107L254 W333 C334 N337 F341L254-I339 HydrophobicContact CD1-CG2 3.74Å; W333-I339 HydrophobicContact CE3-CD1 4.22Å; W333-I339 HydrophobicContact CH2-CD1 3.53Å; W333-I339 HydrophobicContact CZ2-CD1 4.32Å; W333-I339 HydrophobicContact CZ3-CD1 3.48Å; W333-I339 VanDerWaalsContact CZ3-CD1 3.48Å; C334-I339 CarbonylContact C-O 3.52Å; C334-I339 HydrophobicContact CB-CB 3.98Å; C334-I339 HydrophobicContact CB-CG2 4.29Å; C334-I339 PolarHBondContact O-N 2.84Å; N337-I339 HydrophobicContact CB-CD1 3.86Å; N337-I339 HydrophobicContact CB-CG1 3.94Å; N337-I339 PolarHBondContact O-N 2.76Å; I339-F341 PolarHBondContact O-N 2.68Å
340P65.8Low64.6Low67 Ų6791.3 Ų91.344%0.43545%0.453SS..  trans-64.7111.8174.425.1-31000108.6S250 K251 M338S250-P340 VanDerWaalsContact CA-O 3.27Å; S250-P340 WeakPolarHBondContact CA-O 3.41Å; S250-P340 PolarHBondContact OG-O 3.47Å; K251-P340 HydrophobicContact CB-CG 4.22Å; K251-P340 HydrophobicContact CD-CG 3.53Å; K251-P340 HydrophobicContact CG-CG 3.57Å; M338-P340 VanDerWaalsContact O-CD 3.31Å; M338-P340 WeakPolarHBondContact O-CD 3.42Å
341F64.8Low61.7Low21 Ų2196.2 Ų96.29%0.09248%0.484CS..EExtended strand (participates in β ladder)trans-141.1127.1-176179.5-87.7000108.9F248 W249 L330 C334 I339 P343F248-F341 HydrophobicContact CB-CD2 4.18Å; F248-F341 HydrophobicContact CB-CE1 4.36Å; F248-F341 HydrophobicContact CB-CE2 3.57Å; F248-F341 HydrophobicContact CB-CZ 3.67Å; F248-F341 AromaticContact CD1-CE2 3.86Å; F248-F341 HydrophobicContact CD1-CE2 3.86Å; F248-F341 HydrophobicContact CD1-CZ 4.26Å; F248-F341 AromaticContact CD2-CD2 3.58Å; F248-F341 HydrophobicContact CD2-CD2 3.58Å; F248-F341 AromaticContact CD2-CE2 3.31Å; F248-F341 HydrophobicContact CD2-CE2 3.31Å; F248-F341 HydrophobicContact CD2-CZ 4.28Å; F248-F341 HydrophobicContact CE1-CE2 4.38Å; F248-F341 HydrophobicContact CE2-CD2 4.18Å; F248-F341 AromaticContact CE2-CE2 3.91Å; F248-F341 HydrophobicContact CE2-CE2 3.91Å; F248-F341 AromaticContact CG-CD2 3.99Å; F248-F341 HydrophobicContact CG-CD2 3.99Å; F248-F341 AromaticContact CG-CE2 3.29Å; F248-F341 HydrophobicContact CG-CE2 3.29Å; F248-F341 AromaticContact CG-CZ 3.82Å; F248-F341 HydrophobicContact CG-CZ 3.82Å; F248-F341 HydrophobicContact CZ-CE2 4.4Å; W249-F341 VanDerWaalsContact O-CA 3.29Å; W249-F341 WeakPolarHBondContact O-CA 3.32Å; L330-F341 HydrophobicContact CB-CE1 4.37Å; L330-F341 HydrophobicContact CB-CZ 4.02Å; C334-F341 HydrophobicContact CB-CB 3.28Å; C334-F341 HydrophobicContact CB-CD1 4.18Å; C334-F341 HydrophobicContact CB-CD2 4.34Å; C334-F341 HydrophobicContact CB-CG 3.73Å; C334-F341 VanDerWaalsContact SG-CB 3.58Å; C334-F341 WeakPolarHBondContact SG-CD2 3.42Å; C334-F341 VanDerWaalsContact SG-CG 3.5Å; I339-F341 PolarHBondContact O-N 2.68Å; F341-P343 HydrophobicContact CE1-CB 4.26Å
342Q63.9Low59.3Low106 Ų10699 Ų9950%0.49550%0.504SS..EExtended strand (participates in β ladder)trans-124.2113.9171.6-54.1174.4-39.700108.2F248 W249F248-Q342 WeakPolarHBondContact CA-O 3.27Å; W249-Q342 HydrophobicContact CB-CB 4.14Å; W249-Q342 PolarHBondContact N-O 3.41Å; W249-Q342 PolarHBondContact O-N 3.24Å
343P61.6Low56.9Low33 Ų3398.2 Ų98.221%0.21451%0.506CS..EExtended strand (participates in β ladder)trans-60.5157170.529.7-36.7000109.6T331 F341 L345T331-P343 HydrophobicContact CG2-CG 4.22Å; T331-P343 WeakPolarHBondContact OG1-CG 3.31Å; F341-P343 HydrophobicContact CE1-CB 4.26Å; P343-L345 HydrophobicContact CG-CD1 4.44Å; P343-L345 PolarHBondContact O-N 3.22Å
344S54.6Low54.4Low73 Ų73102.5 Ų102.551%0.5153%0.528SS..SBendtrans-65.410.2-179.154.90000116S247 R346S247-S344 WeakPolarHBondContact O-CB 3.26Å; S247-S344 PolarHBondContact O-N 2.81Å; S247-S344 PolarHBondContact O-OG 3.32Å; S344-R346 VanDerWaalsContact C-N 3.32Å; S344-R346 PolarHBondContact O-N 3Å
345L44.6Very low52.1Low95 Ų95106.6 Ų106.650%0.49756%0.557SS.*  trans-72.874.3177.3-75.6167.8000112.5P343 N347 F348P343-L345 HydrophobicContact CG-CD1 4.44Å; P343-L345 PolarHBondContact O-N 3.22Å; L345-N347 PolarHBondContact O-N 3.39Å; L345-F348 HydrophobicContact CB-CB 4.25Å; L345-F348 HydrophobicContact CD1-CB 4.4Å; L345-F348 HydrophobicContact CD1-CD2 4.49Å; L345-F348 HydrophobicContact CD2-CD2 4.32Å
346R36.4Very low49.8Very low234 Ų234109 Ų10988%0.88357%0.566SS**THydrogen-bonded Turntrans-59.3131.7148.9-73.5-174.2172.6-172.1-3.2107.4S344S344-R346 VanDerWaalsContact C-N 3.32Å; S344-R346 PolarHBondContact O-N 3Å
347N34.4Very low47.6Very low154 Ų154108.6 Ų108.682%0.82457%0.569SS**THydrogen-bonded Turntrans82.117.3176.1-49.9-7.9000118.6L345 L349L345-N347 PolarHBondContact O-N 3.39Å; N347-L349 PolarHBondContact O-N 3.18Å
348F32.5Very low45.5Very low172 Ų172109 Ų10975%0.75458%0.578SS**  trans-86.564.9158-134.1-83.9000110.8L345 D350L345-F348 HydrophobicContact CB-CB 4.25Å; L345-F348 HydrophobicContact CD1-CB 4.4Å; L345-F348 HydrophobicContact CD1-CD2 4.49Å; L345-F348 HydrophobicContact CD2-CD2 4.32Å; F348-D350 PolarHBondContact O-N 2.87Å
349L33.9Very low43.6Very low125 Ų125108.9 Ų108.965%0.65458%0.58SS**  trans-68.5124.5171.8-84.2171000109.7N347 T351N347-L349 PolarHBondContact O-N 3.18Å; L349-T351 VanDerWaalsContact C-N 3.33Å; L349-T351 PolarHBondContact O-N 2.97Å
350D33.4Very low41.9Very low98 Ų98111.6 Ų111.652%0.52461%0.609SS.*  trans-75.385.6178.6-168.2-14.4000110.9F348 S352 T353F348-D350 PolarHBondContact O-N 2.87Å; D350-S352 PolarHBondContact O-N 3.35Å; D350-S352 VanDerWaalsContact OD1-CB 3.23Å; D350-S352 WeakPolarHBondContact OD1-CB 3.07Å; D350-S352 PolarHBondContact OD1-N 3.4Å; D350-S352 VanDerWaalsContact OD1-N 3.13Å; D350-S352 PolarHBondContact OD1-OG 3.47Å; D350-T353 PolarHBondContact O-N 3.16Å; D350-T353 PolarHBondContact O-OG1 3.36Å; D350-T353 VanDerWaalsContact O-OG1 3.07Å
351T32.2Very low40.4Very low104 Ų104113.1 Ų113.164%0.63863%0.627SS**Hα-helixtrans-64.7-3.7179.6430000114.1L349L349-T351 VanDerWaalsContact C-N 3.33Å; L349-T351 PolarHBondContact O-N 2.97Å
352S36.7Very low38.7Very low75 Ų75118.6 Ų118.652%0.52466%0.662SS.*Hα-helixtrans-67.5-37.1172.572.90000112.5D350 S355D350-S352 PolarHBondContact O-N 3.35Å; D350-S352 VanDerWaalsContact OD1-CB 3.23Å; D350-S352 WeakPolarHBondContact OD1-CB 3.07Å; D350-S352 PolarHBondContact OD1-N 3.4Å; D350-S352 VanDerWaalsContact OD1-N 3.13Å; D350-S352 PolarHBondContact OD1-OG 3.47Å; S352-S355 PolarHBondContact O-OG 2.84Å
353T38.9Very low37.3Very low94 Ų94120.7 Ų120.758%0.57768%0.675SS**Hα-helixtrans-81.2-40.2-174.352.60000113.7D350 S355 R356D350-T353 PolarHBondContact O-N 3.16Å; D350-T353 PolarHBondContact O-OG1 3.36Å; D350-T353 VanDerWaalsContact O-OG1 3.07Å; T353-S355 PolarHBondContact O-N 3.15Å; T353-S355 VanDerWaalsContact O-N 3.15Å; T353-R356 PolarHBondContact O-N 3.06Å
354Q36.4Very low36Very low128 Ų128126.4 Ų126.460%0.59870%0.704SS**Hα-helixtrans-64.6-20.4-179.1-72.2-174.4-21.200113.8R356Q354-R356 PolarHBondContact O-N 2.84Å
355S35.2Very low35Very low87 Ų87126.1 Ų126.161%0.60871%0.713SS**THydrogen-bonded Turntrans-72.5-8.5178.872.70000115.4S352 T353S352-S355 PolarHBondContact O-OG 2.84Å; T353-S355 PolarHBondContact O-N 3.15Å; T353-S355 VanDerWaalsContact O-N 3.15Å
356R34.4Very low34.6Very low229 Ų229129.9 Ų129.986%0.86473%0.733SS**THydrogen-bonded Turntrans-107.9-11.4-177.2-98.3179.5162.7164.8-5.8115.5T353 Q354T353-R356 PolarHBondContact O-N 3.06Å; Q354-R356 PolarHBondContact O-N 2.84Å
357A38.7Very low34.5Very low91 Ų91127.8 Ų127.875%0.75273%0.733SS**SBendtrans-90.9-13.6-175.400000114.4
358S35.5Very low34.7Very low97 Ų97125.9 Ų125.968%0.67873%0.73SS**SBendtrans-104.924.4-166.952.10000115.1
359L32.5Very low34.9Very low164 Ų164122.6 Ų122.686%0.85973%0.734SS**SBendtrans-122.113.6-175.4-132.983.3000115.1
360A33.4Very low34.8Very low97 Ų97122.8 Ų122.880%0.80274%0.74SS**SBendtrans-149.757.2-172.400000114.5
361A34.6Very low35Very low98 Ų98125.1 Ų125.181%0.8176%0.758SS**  trans-167.4114.5158.800000111.1
362T29Very low35Very low136 Ų136128.5 Ų128.583%0.83477%0.766SS**  trans-164158.2169.3-47.30000106.4
363I34.7Very low35Very low151 Ų151130.6 Ų130.677%0.77478%0.778SS**  trans83.5120.3-161.1-55165.7000109.1
364D34.1Very low34.7Very low152 Ų152132 Ų13281%0.81379%0.792SS**  cis-152.5161.80.6-97.8-18000111.6
365G33.9Very low34.8Very low68 Ų68131.9 Ų131.970%0.70180%0.802SS**  trans72.9147.3163.900000117.8
366D35.4Very low34.8Very low173 Ų173132.3 Ų132.393%0.92581%0.811SS**  cis-150.9178.3-8.8-108.6-29.1000110.3
367E34.8Very low34.9Very low190 Ų190127.3 Ų127.389%0.88881%0.808SS**  trans-76.9163.8-160.4-88.7-159.4116.400119.6
368P38.6Very low34.6Very low115 Ų115127.8 Ų127.875%0.74781%0.812SS**  trans-108.1-175.7-168.843.1-37000116
369A36.8Very low34.6Very low102 Ų102127.8 Ų127.884%0.84382%0.818SS**  trans-135.1160.1168.900000112.5
370V31.4Very low34.6Very low129 Ų129124.8 Ų124.878%0.78282%0.817SS**  trans-123.8140.1-159.3175.90000113.9
371V37Very low34.6Very low147 Ų147125.7 Ų125.789%0.89182%0.817SS**  trans-145.8147.3154.5-174.50000110.1
372E34Very low34.5Very low175 Ų175125.6 Ų125.682%0.81881%0.811SS**  trans-99.1166.4-172-71.9-166.1133.100116.1
373P35Very low34.3Very low120 Ų120124.8 Ų124.878%0.77981%0.805SS**  trans-101170.5-178.339.6-36000115.7
374S34.2Very low33.9Very low123 Ų123129.5 Ų129.586%0.8681%0.813SS**  trans-157.4165.8170.4-92.70000114.7
375P38.5Very low33.3Very low126 Ų126132.7 Ų132.782%0.81881%0.814SS**  trans-120.9-171.4-147.543.1-32.1000117
376A34.7Very low33Very low96 Ų96137.8 Ų137.879%0.79382%0.824SS**  trans-115.7159.1-169.700000116.1
377P36.7Very low32.5Very low124 Ų124134.7 Ų134.781%0.80582%0.817SS**  trans-133.3-172.315638.4-23.6000113.1
378A32.8Very low32.1Very low100 Ų100129.6 Ų129.683%0.82682%0.815SS**  174.8127.3-54.500000110.5
379A34.4Very low31.3Very low97 Ų97135.9 Ų135.980%0.80282%0.824SS**  trans-168.4124.8168.500000110.7
380X32.4Very low30.8Very low102 Ų102139.2 Ų139.284%0.84383%0.827SS**  71.513989.600000114.3
381S33.9Very low30.5Very low115 Ų115141.8 Ų141.880%0.80483%0.83SS**  cis-164.8173.98.359.50000109
382S32.2Very low29.8Very low97 Ų97146 Ų14668%0.67883%0.83SS**  cis-169.9141-22.446.60000112.5
383V24.6Very low29.6Very low119 Ų119143.5 Ų143.572%0.72183%0.829SS**  trans56.7126.6137.7179.70000122.3
384W27Very low29.1Very low249 Ų249143.9 Ų143.994%0.94382%0.824SS**  -161.8149.1116.3-95.6107.4000111.4
385R21.8Very low28.8Very low219 Ų219145.1 Ų145.183%0.82683%0.826SS**  trans-148.7139.5-175.6-179-164-72.2-169.8-0.6110.5
386L25.8Very low28.1Very low175 Ų175148 Ų14892%0.91683%0.826SS**  trans-140.3152.1160.2-107.1171.1000110.7
387S25Very low27.8Very low109 Ų109147 Ų14776%0.76282%0.824SS**  trans-145.3137.3-168.656.70000112.7
388G26.6Very low27.5Very low83 Ų83152.4 Ų152.486%0.85683%0.829SS**  trans-139.1140.817200000111.3
389R22.5Very low27.5Very low247 Ų247153.5 Ų153.593%0.93283%0.83SS**  trans-103.9152.8177-63.2-179.8179.4-176.70.8110.5
390L25.4Very low27.1Very low172 Ų172152.3 Ų152.390%0.90183%0.828SS**  trans-157.9168.2148.1-108158.4000109.8
391Q25.5Very low26.8Very low183 Ų183159.3 Ų159.386%0.85583%0.832SS**  trans-113.9169.9-152.8-69.1169.3-56.600115.8
392W23.8Very low26.3Very low235 Ų235161 Ų16189%0.8984%0.837SS**  trans-80.9167.9177.2-6982000113.1
393P29.7Very low26Very low122 Ų122160 Ų16079%0.79284%0.842SS**  -146.5177.696.637.3-19.7000117.1
394L22.5Very low25.9Very low129 Ų129157.2 Ų157.268%0.67583%0.828SS**  trans-83.4163.2-174-72.468.6000115.2
395V28.3Very low25.8Very low149 Ų149153.5 Ų153.590%0.90383%0.826SS**  trans-131.8156142.9-177.40000109.3
396K24.9Very low25.8Very low187 Ų187147.6 Ų147.681%0.81381%0.814SS**  trans-126155.1-169.7-68.6176.3176.9172.60114.4
397G27.9Very low25.7Very low74 Ų74145 Ų14576%0.76380%0.801SS**  trans96.7160.315600000115.6
398R30.3Very low25.7Very low238 Ų238147.1 Ų147.190%0.89880%0.802SS**  cis-162.5141.5-4.2-122.1-176.4-179.3179-0.4108.5
399S32.9Very low25.5Very low122 Ų122150.4 Ų150.485%0.85380%0.8SS**  trans54.3149.1164.6490000119.6
400G26.1Very low25.7Very low73 Ų73141.8 Ų141.875%0.75379%0.788SS**  cis130.880.5-6.300000114.7
401R26.4Very low25.9Very low249 Ų249139.6 Ų139.694%0.9478%0.784SS**  trans-148.2139.1156.5-94.4-175.3-176.1-176.11.3109.4
402V23.3Very low25.9Very low150 Ų150140.1 Ų140.191%0.90978%0.783SS**  trans-91.4103.5175.1178.10000108.3
403G25.4Very low26.3Very low76 Ų76134 Ų13478%0.78478%0.782SS**PPolyproline II helixtrans-77.4124.4166.900000109.6
404S23.3Very low26.2Very low61 Ų61135.7 Ų135.743%0.42779%0.785SS.*PPolyproline II helixtrans-83.4128175.759.80000110.9T406 R592S404-T406 PolarHBondContact O-N 2.97Å; S404-R592 VanDerWaalsContact CB-NH1 3.27Å; S404-R592 VanDerWaalsContact CB-NH2 3.3Å; S404-R592 VanDerWaalsContact OG-CZ 3.28Å; S404-R592 PolarHBondContact OG-NH1 3.3Å; S404-R592 VanDerWaalsContact OG-NH1 3.09Å; S404-R592 PolarHBondContact OG-NH2 3.18Å
405L24.1Very low26.5Very low170 Ų170133.2 Ų133.289%0.8979%0.79SS**PPolyproline II helixtrans-65.4132.6159.3-132.874.7000108.6
406T22.5Very low26.5Very low95 Ų95130.6 Ų130.658%0.58379%0.785SS**  trans-106.9123.3170.3-56.80000106.3S404 I408S404-T406 PolarHBondContact O-N 2.97Å; T406-I408 PolarHBondContact O-N 2.86Å
407L22.8Very low26.7Very low122 Ų122126.1 Ų126.164%0.63979%0.791SS**  trans-68.1130.3165.6-82.7166000108.1F594L407-F594 HydrophobicContact CD1-CD1 3.48Å; L407-F594 VanDerWaalsContact CD1-CD1 3.48Å; L407-F594 HydrophobicContact CD1-CE1 3.85Å
408I25.4Very low27.1Very low152 Ų152128.2 Ų128.278%0.77979%0.789SS**  trans-107.9114.7168.7-60.8175.9000105T406 G410T406-I408 PolarHBondContact O-N 2.86Å; I408-G410 PolarHBondContact O-N 2.98Å
409D23.5Very low27.3Very low153 Ų153119.4 Ų119.482%0.81877%0.772SS**PPolyproline II helixtrans-65.1117175.5-71.1-54.6000109.8
410G26Very low27.5Very low66 Ų66116.2 Ų116.268%0.6875%0.746SS**PPolyproline II helixtrans-72.4136.2169.600000110.2I408I408-G410 PolarHBondContact O-N 2.98Å
411P30Very low27.8Very low125 Ų125117.3 Ų117.381%0.81274%0.741SS**PPolyproline II helixtrans-65.6153.9-179.727.8-34.9000111.9A413P411-A413 PolarHBondContact O-N 2.88Å
412K25.5Very low28.3Very low195 Ų195113.4 Ų113.485%0.84873%0.726SS**PPolyproline II helixtrans-57.4133.6171.6-68.4179.3177.3179.30110.1D414K412-D414 PolarHBondContact O-N 2.83Å
413A30.8Very low28.9Very low105 Ų105107.2 Ų107.287%0.86869%0.687SS**  trans-93.795.2-178.300000111.4P411P411-A413 PolarHBondContact O-N 2.88Å
414D27.5Very low29.6Very low158 Ų158104.9 Ų104.985%0.84566%0.657SS**  trans-99.6115168.2-72.5-48.1000110.7K412K412-D414 PolarHBondContact O-N 2.83Å
415G28.8Very low30.3Very low77 Ų77111 Ų11179%0.79467%0.671SS**SBendtrans99.3158.6155.200000120.4
416A30.1Very low31.1Very low95 Ų95103.7 Ų103.779%0.78564%0.635SS**  trans64.454.2156.100000120.5V418A416-V418 VanDerWaalsContact C-N 3.33Å; A416-V418 PolarHBondContact O-N 3Å
417G29Very low32.2Very low92 Ų9299.6 Ų99.695%0.94861%0.61SS**THydrogen-bonded Turntrans-68.775.1166.400000114.9
418V35.3Very low33.1Very low119 Ų11996.5 Ų96.572%0.72159%0.593SS**THydrogen-bonded Turntrans-131.3-21.8-179.5-162.40000114.3A416A416-V418 VanDerWaalsContact C-N 3.33Å; A416-V418 PolarHBondContact O-N 3Å
419G35.1Very low34Very low53 Ų5392.1 Ų92.155%0.54658%0.58SS.*SBendtrans-69.5-40.7-170.800000116.1C421 R422G419-C421 VanDerWaalsContact C-N 3.3Å; G419-C421 PolarHBondContact O-N 3.34Å; G419-C421 VanDerWaalsContact O-N 3.1Å; G419-R422 PolarHBondContact O-N 2.69Å
420L36.9Very low35.2Very low55 Ų5585.5 Ų85.529%0.28854%0.544SS..Hα-helixtrans-57.8-35.4-162.3-164.368.8000114.4D129 R422 V424D129-L420 HydrophobicContact CB-CD1 4.49Å; L420-R422 VanDerWaalsContact C-N 3.26Å; L420-R422 PolarHBondContact O-N 3.06Å; L420-V424 HydrophobicContact CG-CG2 4.27Å; L420-V424 WeakPolarHBondContact O-CG2 3.45Å; L420-V424 PolarHBondContact O-N 3.11Å; L420-V424 VanDerWaalsContact O-N 3.15Å
421C33Very low36Very low96 Ų9683.1 Ų83.165%0.64952%0.515SS*.Hα-helixtrans-65.9-22-179.2-79.80000114.5G419 R425G419-C421 VanDerWaalsContact C-N 3.3Å; G419-C421 PolarHBondContact O-N 3.34Å; G419-C421 VanDerWaalsContact O-N 3.1Å; C421-R425 WeakPolarHBondContact O-CD 3.47Å; C421-R425 VanDerWaalsContact O-CG 3.3Å; C421-R425 WeakPolarHBondContact O-CG 3.24Å
422R35.3Very low36.3Very low166 Ų16679.6 Ų79.663%0.62649%0.491SS*.Hα-helixtrans-84-47.1177.6-65.6-174.3179.9-162.1-0.8111.4S3 G419 L420 V424 R425 A426S3-R422 PolarHBondContact OG-NH1 3.05Å; G419-R422 PolarHBondContact O-N 2.69Å; L420-R422 VanDerWaalsContact C-N 3.26Å; L420-R422 PolarHBondContact O-N 3.06Å; R422-V424 PolarHBondContact O-N 3.4Å; R422-R425 PolarHBondContact O-N 2.81Å; R422-A426 PolarHBondContact O-N 3.41Å
423F37.6Very low36.6Very low20 Ų2074.3 Ų74.39%0.08848%0.476CS..Hα-helixtrans-61.5-47.1179.9-166-130.2000111.6L9 N93 F94 R425 A426 I427L9-F423 HydrophobicContact CD2-CE2 4.38Å; N93-F423 HydrophobicContact CB-CE1 4.48Å; N93-F423 HydrophobicContact CB-CZ 4.13Å; F94-F423 HydrophobicContact CE1-CE1 4.17Å; F94-F423 HydrophobicContact CE1-CZ 4.37Å; F94-F423 HydrophobicContact CE2-CE1 4.05Å; F94-F423 HydrophobicContact CE2-CE2 4.27Å; F94-F423 AromaticContact CE2-CZ 3.48Å; F94-F423 HydrophobicContact CE2-CZ 3.48Å; F94-F423 VanDerWaalsContact CE2-CZ 3.48Å; F94-F423 HydrophobicContact CZ-CD1 4.38Å; F94-F423 AromaticContact CZ-CE1 3.47Å; F94-F423 HydrophobicContact CZ-CE1 3.47Å; F94-F423 VanDerWaalsContact CZ-CE1 3.47Å; F94-F423 HydrophobicContact CZ-CE2 4.06Å; F94-F423 AromaticContact CZ-CZ 3.28Å; F94-F423 HydrophobicContact CZ-CZ 3.28Å; F423-R425 VanDerWaalsContact C-N 3.26Å; F423-R425 PolarHBondContact O-N 2.82Å; F423-A426 PolarHBondContact O-N 3.44Å; F423-A426 VanDerWaalsContact O-N 3.15Å; F423-I427 HydrophobicContact CD1-CD1 4.26Å; F423-I427 HydrophobicContact CE1-CD1 4.47Å; F423-I427 VanDerWaalsContact O-CD1 3.29Å; F423-I427 WeakPolarHBondContact O-CD1 3.26Å; F423-I427 PolarHBondContact O-N 3.34Å
424V39.4Very low36.5Very low27 Ų2776.3 Ų76.316%0.16447%0.472CS..Hα-helixtrans-53.9-41.9176173.20000111.9F179 L420 R422 I427 I428F179-V424 HydrophobicContact CD2-CG2 4.44Å; F179-V424 HydrophobicContact CE2-CG1 4.02Å; F179-V424 HydrophobicContact CE2-CG2 3.82Å; L420-V424 HydrophobicContact CG-CG2 4.27Å; L420-V424 WeakPolarHBondContact O-CG2 3.45Å; L420-V424 PolarHBondContact O-N 3.11Å; L420-V424 VanDerWaalsContact O-N 3.15Å; R422-V424 PolarHBondContact O-N 3.4Å; V424-I427 PolarHBondContact O-N 2.86Å; V424-I428 HydrophobicContact CG1-CD1 4.35Å; V424-I428 HydrophobicContact CG1-CG1 4.24Å; V424-I428 WeakPolarHBondContact O-CG1 3.37Å; V424-I428 PolarHBondContact O-N 2.85Å
425R38Very low36.6Very low189 Ų18974.3 Ų74.371%0.71347%0.467SS*.Hα-helixtrans-64.1-39.5-180-77.9176.6177.7-169.6-0.4113.3C421 R422 F423 I427 I428 A429C421-R425 WeakPolarHBondContact O-CD 3.47Å; C421-R425 VanDerWaalsContact O-CG 3.3Å; C421-R425 WeakPolarHBondContact O-CG 3.24Å; R422-R425 PolarHBondContact O-N 2.81Å; F423-R425 VanDerWaalsContact C-N 3.26Å; F423-R425 PolarHBondContact O-N 2.82Å; R425-I427 VanDerWaalsContact C-N 3.28Å; R425-I427 PolarHBondContact O-N 2.85Å; R425-I428 PolarHBondContact O-N 3.41Å; R425-I428 VanDerWaalsContact O-N 3.11Å; R425-A429 PolarHBondContact O-N 3.11Å
426A40.5Very low36.5Very low18 Ų1875.2 Ų75.215%0.14947%0.467CS..Hα-helixtrans-60.4-39.617600000111.7L9 R422 F423 A429 F430L9-A426 HydrophobicContact CD2-CB 4.49Å; R422-A426 PolarHBondContact O-N 3.41Å; F423-A426 PolarHBondContact O-N 3.44Å; F423-A426 VanDerWaalsContact O-N 3.15Å; A426-A429 PolarHBondContact O-N 2.51Å; A426-F430 PolarHBondContact O-N 3.1Å
427I45.8Very low36.4Very low9 Ų978.4 Ų78.45%0.04647%0.47CS..Hα-helixtrans-75.4-28.1175.8-47.8137.9000111.5F94 W216 F423 V424 R425 F430 F431F94-I427 HydrophobicContact CE1-CD1 3.35Å; F94-I427 HydrophobicContact CE1-CG1 3.65Å; F94-I427 HydrophobicContact CZ-CD1 3.49Å; F94-I427 VanDerWaalsContact CZ-CD1 3.49Å; F94-I427 HydrophobicContact CZ-CG1 3.57Å; W216-I427 HydrophobicContact CH2-CG2 3.39Å; W216-I427 HydrophobicContact CZ2-CG2 4.04Å; W216-I427 HydrophobicContact CZ3-CG2 3.68Å; F423-I427 HydrophobicContact CD1-CD1 4.26Å; F423-I427 HydrophobicContact CE1-CD1 4.47Å; F423-I427 VanDerWaalsContact O-CD1 3.29Å; F423-I427 WeakPolarHBondContact O-CD1 3.26Å; F423-I427 PolarHBondContact O-N 3.34Å; V424-I427 PolarHBondContact O-N 2.86Å; R425-I427 VanDerWaalsContact C-N 3.28Å; R425-I427 PolarHBondContact O-N 2.85Å; I427-F430 PolarHBondContact O-N 3.26Å; I427-F431 HydrophobicContact CG2-CD2 4.06Å; I427-F431 HydrophobicContact CG2-CE2 4Å; I427-F431 WeakPolarHBondContact O-CD2 3.27Å; I427-F431 PolarHBondContact O-N 2.83Å
428I40.8Very low36.4Very low57 Ų5779.7 Ų79.729%0.29246%0.462SS..Hα-helixtrans-60.3-50.2169.4-54.7-147.6000109.1K180 V424 R425 F430 F431 V432K180-I428 HydrophobicContact CD-CD1 4.26Å; K180-I428 HydrophobicContact CD-CG1 4.35Å; V424-I428 HydrophobicContact CG1-CD1 4.35Å; V424-I428 HydrophobicContact CG1-CG1 4.24Å; V424-I428 WeakPolarHBondContact O-CG1 3.37Å; V424-I428 PolarHBondContact O-N 2.85Å; R425-I428 PolarHBondContact O-N 3.41Å; R425-I428 VanDerWaalsContact O-N 3.11Å; I428-F430 VanDerWaalsContact C-N 3.27Å; I428-F430 PolarHBondContact O-N 3.42Å; I428-F431 PolarHBondContact O-N 3.29Å; I428-V432 CarbonylContact C-O 3.46Å; I428-V432 HydrophobicContact CG2-CB 4.42Å; I428-V432 CarbonylContact O-C 3.6Å; I428-V432 WeakPolarHBondContact O-CA 3.4Å; I428-V432 PolarHBondContact O-N 3.33Å
429A44.9Very low35.9Very low60 Ų6083.1 Ų83.150%0.49647%0.47SS..Hα-helixtrans-57.2-36.3179.600000113.6R425 A426 V432R425-A429 PolarHBondContact O-N 3.11Å; A426-A429 PolarHBondContact O-N 2.51Å; A429-V432 WeakPolarHBondContact CA-O 3.25Å
430F48.4Very low35.7Very low14 Ų1489.1 Ų89.16%0.06148%0.484CS..Hα-helixtrans-60.9-45.4177.7-169.2-84.3000113L26 K29 L30 A426 I427 I428L26-F430 HydrophobicContact CD1-CE1 4Å; L26-F430 HydrophobicContact CD1-CE2 4.33Å; L26-F430 HydrophobicContact CD1-CZ 3.51Å; K29-F430 HydrophobicContact CB-CE1 4.48Å; K29-F430 HydrophobicContact CB-CE2 4.09Å; K29-F430 HydrophobicContact CB-CZ 3.68Å; K29-F430 HydrophobicContact CG-CD2 4.29Å; K29-F430 HydrophobicContact CG-CE1 3.91Å; K29-F430 HydrophobicContact CG-CE2 3.58Å; K29-F430 HydrophobicContact CG-CZ 3.36Å; L30-F430 HydrophobicContact CD2-CD2 4.11Å; L30-F430 HydrophobicContact CD2-CE2 3.56Å; L30-F430 HydrophobicContact CD2-CZ 4.41Å; L30-F430 HydrophobicContact CG-CE2 3.74Å; L30-F430 HydrophobicContact CG-CZ 4.26Å; A426-F430 PolarHBondContact O-N 3.1Å; I427-F430 PolarHBondContact O-N 3.26Å; I428-F430 VanDerWaalsContact C-N 3.27Å; I428-F430 PolarHBondContact O-N 3.42Å
431F42.6Very low35.1Very low15 Ų1591.7 Ų91.77%0.06651%0.505CS..Hα-helixtrans-91.5-29.8-177.4-69.1-100.1000112.7P185 K188 W216 I427 I428P185-F431 WeakPolarHBondContact CB-O 3.31Å; P185-F431 HydrophobicContact CG-CB 4.25Å; P185-F431 HydrophobicContact CG-CD1 3.68Å; P185-F431 HydrophobicContact CG-CG 4.39Å; K188-F431 PolarHBondContact NZ-O 3.19Å; W216-F431 HydrophobicContact CH2-CD2 4.14Å; W216-F431 AromaticContact CH2-CE2 3.53Å; W216-F431 HydrophobicContact CH2-CE2 3.53Å; W216-F431 AromaticContact CH2-CZ 3.88Å; W216-F431 HydrophobicContact CH2-CZ 3.88Å; W216-F431 HydrophobicContact CZ2-CD1 4.39Å; W216-F431 AromaticContact CZ2-CD2 3.79Å; W216-F431 HydrophobicContact CZ2-CD2 3.79Å; W216-F431 HydrophobicContact CZ2-CE1 4.18Å; W216-F431 AromaticContact CZ2-CE2 3.54Å; W216-F431 HydrophobicContact CZ2-CE2 3.54Å; W216-F431 HydrophobicContact CZ2-CG 4.24Å; W216-F431 AromaticContact CZ2-CZ 3.77Å; W216-F431 HydrophobicContact CZ2-CZ 3.77Å; I427-F431 HydrophobicContact CG2-CD2 4.06Å; I427-F431 HydrophobicContact CG2-CE2 4Å; I427-F431 WeakPolarHBondContact O-CD2 3.27Å; I427-F431 PolarHBondContact O-N 2.83Å; I428-F431 PolarHBondContact O-N 3.29Å
432V36Very low34.9Very low51 Ų5193 Ų9331%0.30952%0.515SS..  trans-141.5104.3-176-175.20000110I428 A429 L434I428-V432 CarbonylContact C-O 3.46Å; I428-V432 HydrophobicContact CG2-CB 4.42Å; I428-V432 CarbonylContact O-C 3.6Å; I428-V432 WeakPolarHBondContact O-CA 3.4Å; I428-V432 PolarHBondContact O-N 3.33Å; A429-V432 WeakPolarHBondContact CA-O 3.25Å; V432-L434 PolarHBondContact O-N 2.94Å
433P33.4Very low34.5Very low84 Ų8488.6 Ų88.655%0.54552%0.522SS..PPolyproline II helixtrans-66.9130.6165.529.6-32.1000108.7
434L28.6Very low34.2Very low147 Ų14799 Ų9977%0.7756%0.56SS**PPolyproline II helixtrans-73.7142.2164.4-73.6164000108.5V432V432-L434 PolarHBondContact O-N 2.94Å
435P28.4Very low33.7Very low116 Ų116106.5 Ų106.575%0.75359%0.594SS**PPolyproline II helixtrans-64.2145.8167.829.5-33.8000109.6
436A27.6Very low33.5Very low96 Ų96101.5 Ų101.579%0.79359%0.593SS**PPolyproline II helixtrans-66.9139.6171.600000110.1
437L27Very low33.2Very low163 Ų163107.2 Ų107.285%0.85362%0.621SS**PPolyproline II helixtrans-73.5136.4162.9-70168.7000108.3E439L437-E439 PolarHBondContact O-N 3.42Å
438P29.2Very low32.7Very low119 Ų119113.5 Ų113.577%0.77365%0.654SS**PPolyproline II helixtrans-75.1117.2173.629.4-31.8000110.3Q440P438-Q440 PolarHBondContact O-N 2.85Å
439E25.7Very low32.4Very low191 Ų191117.5 Ų117.589%0.89368%0.676SS**  trans-80.6107.2162.3-73.1-172146.400109.5L437L437-E439 PolarHBondContact O-N 3.42Å
440Q30.2Very low31.8Very low179 Ų179119.7 Ų119.784%0.83668%0.68SS**  trans-171.4149.4164.6-103.5172.221.400107.8P438P438-Q440 PolarHBondContact O-N 2.85Å
441C25.7Very low31Very low108 Ų108127.3 Ų127.373%0.7371%0.713SS**  cis-170.4138.8-31.7-115.40000106.3
442S27.4Very low30.3Very low123 Ų123130.2 Ų130.286%0.8675%0.747SS**  trans41120.715859.60000120.9
443G28Very low29.8Very low74 Ų74132.7 Ų132.776%0.76377%0.773SS**  trans165.490.9155.100000119.6
444R30.1Very low29.3Very low239 Ų239134.9 Ų134.990%0.90278%0.784SS**  trans52.396.2147.7-56.4-177-174-169.30.8120.1
445Q30.2Very low29.1Very low184 Ų184133.8 Ų133.886%0.8678%0.784SS**  43.4111.5100.7-173.5179.65.200119.1
446A32.8Very low28.8Very low84 Ų84135.8 Ų135.869%0.69479%0.787SS**  -169.4116.5125.100000112.3
447D34.7Very low28.7Very low138 Ų138137.4 Ų137.474%0.73879%0.787SS**  trans70.3136.6131.3-46.4-15.9000124.8
448D35.3Very low28.5Very low141 Ų141135.8 Ų135.875%0.75479%0.785SS**  trans67.8108.7150.5-61.63.3000124.7
449D33.8Very low28.3Very low141 Ų141136.5 Ų136.575%0.75479%0.792SS**  57.1147.8124.1-70.45.9000122.3
450D32.9Very low28.4Very low106 Ų106130.9 Ų130.957%0.56779%0.786SS**  cis-147.8162.518.6-155.56.2000115.7
451K30.8Very low28.1Very low175 Ų175127 Ų12776%0.76179%0.785SS**  trans11.6135.9161-71.1154.9-159.780.70120.5
452G27.8Very low28.2Very low75 Ų75132.8 Ų132.877%0.77379%0.793SS**  trans-161.9-10.7171.800000122.3
453A26.6Very low28.1Very low103 Ų103133.5 Ų133.585%0.85179%0.792SS**  trans48.8120.6171.200000120.6
454V21.9Very low28.1Very low130 Ų130135.9 Ų135.979%0.78880%0.797SS**  trans-81.9148.1168.5173.40000111.1
455T24.9Very low27.8Very low124 Ų124130 Ų13076%0.76179%0.792SS**  trans-141.3118.7157.5-64.20000111.3T457T455-T457 HydrophobicContact CG2-CG2 4.33Å
456L22Very low27.8Very low159 Ų159129.4 Ų129.483%0.83279%0.793SS**  trans-98.8131.1165.3-82.5161.4000108.5
457T26.1Very low27.7Very low129 Ų129131.6 Ų131.679%0.79180%0.798SS**  trans-134.4144.5164.640.10000110.4T455T455-T457 HydrophobicContact CG2-CG2 4.33Å
458T22.5Very low27.2Very low130 Ų130130.2 Ų130.280%0.79880%0.8SS**  trans-128.4165.4-178.853.20000109.8
459S25Very low27.1Very low133 Ų133129.3 Ų129.393%0.9380%0.801SS**  trans102.7154.2176.6800000115.7
460G27.8Very low26.8Very low73 Ų73126.5 Ų126.575%0.75380%0.797SS**  trans139.849.6-173.900000113.8
461A24.5Very low26.5Very low99 Ų99126.6 Ų126.682%0.81881%0.807SS**  trans-78.7134.4174.700000110.8
462Y27.9Very low26.4Very low229 Ų229126 Ų12690%0.89881%0.811SS**  trans-124.9125.2165.3-96.7-87.9000109.7
463T24Very low26.2Very low138 Ų138127.1 Ų127.185%0.84781%0.807SS**  trans-116.9143.9166.851.70000108.3
464S28.6Very low26.3Very low124 Ų124130.6 Ų130.687%0.86781%0.81SS**  trans-142.5135.116354.50000107.9
465S24.1Very low26.4Very low115 Ų115134.6 Ų134.680%0.80481%0.811SS**  trans-116.6141.1-177.651.40000109.2
466I30.9Very low26.4Very low171 Ų171136.4 Ų136.488%0.87781%0.811SS**  trans-127.3144170.3-64.9-176.8000107.6
467T29.8Very low26.7Very low131 Ų131138 Ų13880%0.80481%0.814SS**  trans-94160.8-156.7430000114.6
468S25.1Very low26.6Very low109 Ų109142.8 Ų142.876%0.76282%0.817SS**  trans-104.4155.5169.3171.50000110.4
469P32.5Very low26.7Very low121 Ų121141.8 Ų141.879%0.78681%0.814SS**  trans-129.8110146.634-20.9000113.9
470A27.3Very low26.8Very low82 Ų82142.2 Ų142.268%0.67881%0.805SS**  40.8146127.100000123.9
471S26.6Very low26.6Very low109 Ų109144.8 Ų144.876%0.76281%0.806SS**  trans77.9154.2154.583.50000117.3
472L27.9Very low26.8Very low162 Ų162144.8 Ų144.885%0.84881%0.807SS**  cis-146.7157.36.4-135.6149.6000110.7
473S23.8Very low26.7Very low99 Ų99142.9 Ų142.969%0.69281%0.806SS**  trans-100149.3-177.1660000114
474L28.6Very low27.4Very low176 Ų176141.7 Ų141.792%0.92180%0.801SS**  trans-150.5170.8152.7-113.5165.5000113.1
475R23.9Very low27.5Very low214 Ų214141 Ų14181%0.80880%0.803SS**  trans-119.8146.9-156.8-74.5-176.2177.2-173.60.4114
476H26Very low27.7Very low162 Ų162139.5 Ų139.575%0.7581%0.805SS**  trans53.3131.1140.8-69.852.8000119.8
477H28.9Very low27.7Very low193 Ų193135 Ų13589%0.89480%0.801SS**  -166162.9104.6-111.5-89.7000112.1
478R23.5Very low27.7Very low229 Ų229137.9 Ų137.986%0.86481%0.805SS**  trans-101.2153.5176.2-64.8172.8170.3172.3-4.4110.4
479C25.2Very low27.8Very low108 Ų108140.2 Ų140.273%0.7381%0.806SS**  173.4136.7107.9-940000116.5
480L25.6Very low27.6Very low143 Ų143142.9 Ų142.975%0.74980%0.8SS**  trans60.6106.2131.9-60.4173.2000123.6
481T24.9Very low27.6Very low126 Ų126148.7 Ų148.777%0.77380%0.804SS**  53.3124.7124.360.10000123.8
482A27.7Very low27.8Very low100 Ų100148.2 Ų148.283%0.82680%0.801SS**  -167.1155.4122.700000112.8
483Q26Very low27.7Very low188 Ų188150.1 Ų150.188%0.87980%0.803SS**  trans-161.1178.2176.5-85.7-159.7-50.600108.6
484P37.8Very low28.1Very low114 Ų114150.1 Ų150.174%0.7480%0.801SS**  -137.6162.2-54.840.3-24.6000114.2
485A31.1Very low28.1Very low110 Ų110148.8 Ų148.891%0.90979%0.794SS**  trans-169.5160.6158.100000109.2
486G29.1Very low28.3Very low82 Ų82146.3 Ų146.385%0.84580%0.796SS**  cis152.4120.8-5.600000110.5
487G30.5Very low28.2Very low78 Ų78147.3 Ų147.380%0.80480%0.798SS**  trans170.6161.5-178.400000116.2
488H29.7Very low28.1Very low191 Ų191146 Ų14688%0.88480%0.797SS**  trans-144.6173-171.8-88.9-31000113.1
489M28.3Very low28.4Very low158 Ų158140.5 Ų140.578%0.77879%0.791SS**  trans75.3150.3165.4-70.4171.760.900117.2
490R27.9Very low28.4Very low177 Ų177144.6 Ų144.667%0.66880%0.802SS**  cis-168.3154.6-25.7-119.2-179.6-170.5179.73.8110.7
491R27.3Very low28.4Very low203 Ų203145.8 Ų145.877%0.76681%0.808SS**  trans72.5135.6143.6-77.5177.3172.5178.6-6123
492S29.5Very low28.5Very low100 Ų100144.5 Ų144.570%0.69981%0.81SS**  trans89.8110.5139.5-63.90000122.6
493F26.4Very low28.3Very low202 Ų202145.9 Ų145.989%0.88681%0.808SS**  39.3155.5105.2-80.6-77.3000121.2
494P32.8Very low28.4Very low99 Ų99148.5 Ų148.564%0.64381%0.811SS**  cis-139.9-176.43.540.4-20.5000117.8
495L27.6Very low27.8Very low148 Ų148146.7 Ų146.778%0.77581%0.813SS**  trans53.2121.7143.2-77.7160.1000121.9
496L28.8Very low27.7Very low162 Ų162147.4 Ų147.485%0.84881%0.812SS**  -164.7163.697.3-104.8166.4000112.3
497F23.4Very low27.6Very low183 Ų183153.2 Ų153.280%0.80382%0.817SS**  trans-150.3142.1-173.6-123.3-87.2000108.2
498L27.1Very low27.5Very low166 Ų166153.1 Ų153.187%0.86982%0.816SS**  trans168.6150136.4-91.1158.3000111.4
499P29.3Very low27.2Very low113 Ų113153 Ų15373%0.73482%0.816SS**  trans-109.7179.417941.7-33.1000113.1
500M26.1Very low27.2Very low194 Ų194150.2 Ų150.296%0.95681%0.81SS**  trans-141158.7164.8-123.5-176-176.800113
501L24.2Very low27Very low167 Ų167149.6 Ų149.687%0.87481%0.812SS**  trans-133.4145.1178.1-106.1167.9000108
502A28.4Very low26.9Very low99 Ų99146.5 Ų146.582%0.81881%0.808SS**  trans-146.8152.3168.800000110.1
503V23.8Very low26.6Very low129 Ų129151.2 Ų151.278%0.78282%0.816SS**  trans-131.6138.7-175.7171.20000108.4
504Y26.7Very low26.7Very low243 Ų243150.9 Ų150.995%0.95381%0.814SS**  trans-173165.8142.8-97.8-65.1000108.4
505G25.3Very low26.3Very low76 Ų76151.2 Ų151.278%0.78483%0.826SS**  trans-166.7178.5-176.200000114.4
506S30.3Very low26.3Very low126 Ų126148.5 Ų148.588%0.88182%0.824SS**  trans-150.8173.3-179.957.80000111.5
507Q26.2Very low26.4Very low204 Ų204146.5 Ų146.595%0.95382%0.819SS**  trans-97.6160.7-159.6-59.6177.5-9.900115.3
508G27.5Very low26.7Very low76 Ų76145.2 Ų145.278%0.78482%0.821SS**  trans151.599.4162.100000114.9
509E25.4Very low26.9Very low187 Ų187141.4 Ų141.487%0.87482%0.821SS**PPolyproline II helixtrans-101135.1176.9-73-163.815500114.1
510P26.8Very low27.1Very low101 Ų101139.7 Ų139.766%0.65682%0.824SS**PPolyproline II helixtrans-97129.2159.234.2-27.8000111.7
511K23.5Very low27.3Very low163 Ų163139.4 Ų139.471%0.70982%0.82SS**PPolyproline II helixtrans-74149.8-174.4-64.5176.7179.3177.30113.6
512M25.8Very low27.7Very low138 Ų138135.8 Ų135.868%0.6881%0.807SS**  trans-123.6132167.3-118.7-168.4-6600110.3Y280Y280-M512 HydrophobicContact CD2-CG 3.83Å; Y280-M512 HydrophobicContact CD2-SD 3.84Å; Y280-M512 HydrophobicContact CE2-CG 3.37Å; Y280-M512 HydrophobicContact CE2-SD 3.85Å
513F24.2Very low27.7Very low199 Ų199139.7 Ų139.787%0.87381%0.808SS**  trans-103.6139.9179.5-76.9-89.8000111.9
514K26.9Very low27.8Very low195 Ų195141 Ų14185%0.84881%0.809SS**  trans-134.6125.2166.7-162.6171.4-169.3166.50108.2A516K514-A516 PolarHBondContact O-N 3.14Å
515A25.6Very low27.8Very low107 Ų107134.4 Ų134.488%0.88481%0.805SS**  trans-84.7113.9-167.200000112.8
516A27.9Very low27.7Very low91 Ų91137.5 Ų137.575%0.75281%0.809SS**  trans-160.1123.6154.200000109.8K514K514-A516 PolarHBondContact O-N 3.14Å
517T29.7Very low27.6Very low120 Ų120139 Ų13974%0.73681%0.807SS**  trans8.7118.4159.753.30000120.1
518D30.9Very low27.5Very low156 Ų156131.8 Ų131.883%0.83479%0.787SS**  64.6106.3128.5-46-23.1000121.4
519G31.1Very low27.4Very low86 Ų86136.2 Ų136.289%0.88779%0.793SS**  95112.1126.400000120.3
520G32.4Very low27.3Very low76 Ų76131.8 Ų131.878%0.78479%0.788SS**  trans106.894.3143.500000118.6
521E30.8Very low27.2Very low188 Ų188134 Ų13488%0.87979%0.794SS**  trans42.5149.1151.3-71.8-64.4100.100123.3
522P32.3Very low27.2Very low91 Ų91132.2 Ų132.259%0.59180%0.796SS**  trans-116.4149.5-161.240.3-29000116.1
523H28.7Very low27.2Very low182 Ų182131.6 Ų131.684%0.84379%0.792SS**  trans-150.3138.1155.9-85.2-50.8000114.2
524L25.9Very low27.2Very low155 Ų155128.4 Ų128.481%0.81278%0.783SS**  trans29.3121.4155-7273.7000120.2
525A26.4Very low27.1Very low105 Ų105127.2 Ų127.287%0.86878%0.778SS**  -171143.2109.300000113.6
526V24.6Very low27.1Very low141 Ų141129.1 Ų129.186%0.85577%0.767SS**  trans-83.5139.7179.61690000111.7
527D26.5Very low27.1Very low157 Ų157131.3 Ų131.384%0.8477%0.77SS**  -162.3158.1127.7-135.6-19.3000113.6
528G24Very low27Very low53 Ų53137.4 Ų137.455%0.54678%0.78SS.*  trans-145.7167.4-179.400000113.1
529N25.9Very low26.8Very low169 Ų169133.1 Ų133.190%0.90477%0.773SS**  trans-149.9135.9174.1-91.7-80.6000111.7
530A23.9Very low26.6Very low94 Ų94133.7 Ų133.778%0.77776%0.763SS**  trans-92.1144.817300000111.2
531L24.7Very low26.3Very low148 Ų148135.4 Ų135.478%0.77576%0.759SS**  trans-93.8125.1177.4-153.873.8000110.3E533L531-E533 HydrophobicContact CD2-CG 3.85Å; L531-E533 HydrophobicContact CG-CG 4.13Å
532V23.1Very low26.4Very low125 Ų125134.7 Ų134.776%0.75876%0.755SS**  trans-111.697.7173.2-179.90000108.5
533E25.2Very low26.2Very low125 Ų125138.4 Ų138.458%0.58477%0.769SS**  trans-88.3113.5177.4-66-166.2136.200111.2L531 F535L531-E533 HydrophobicContact CD2-CG 3.85Å; L531-E533 HydrophobicContact CG-CG 4.13Å; E533-F535 HydrophobicContact CB-CD2 4.31Å; E533-F535 HydrophobicContact CB-CE2 3.65Å; E533-F535 HydrophobicContact CB-CZ 3.92Å; E533-F535 PolarHBondContact O-N 2.59Å; E533-F535 WeakPolarHBondContact OE2-CZ 3.24Å
534L24.1Very low26.2Very low133 Ų133136.3 Ų136.370%0.69677%0.769SS**  trans-91.896.7172.9-68.4173.4000109.6F536L534-F536 HydrophobicContact CB-CD2 4.34Å; L534-F536 HydrophobicContact CB-CE2 3.79Å; L534-F536 WeakPolarHBondContact O-CD2 3.49Å; L534-F536 PolarHBondContact O-N 3.25Å
535F25.2Very low26.2Very low170 Ų170130.5 Ų130.575%0.74675%0.747SS**  trans-72.5105178.2-66.2-86.2000111.7E533E533-F535 HydrophobicContact CB-CD2 4.31Å; E533-F535 HydrophobicContact CB-CE2 3.65Å; E533-F535 HydrophobicContact CB-CZ 3.92Å; E533-F535 PolarHBondContact O-N 2.59Å; E533-F535 WeakPolarHBondContact OE2-CZ 3.24Å
536F26.6Very low26.3Very low147 Ų147131.7 Ų131.765%0.64574%0.739SS**  trans-95.4114.7168.8-70-82.2000110.3L534 R538L534-F536 HydrophobicContact CB-CD2 4.34Å; L534-F536 HydrophobicContact CB-CE2 3.79Å; L534-F536 WeakPolarHBondContact O-CD2 3.49Å; L534-F536 PolarHBondContact O-N 3.25Å; F536-R538 PolarHBondContact O-N 3.24Å
537V27.6Very low26.5Very low136 Ų136133.9 Ų133.982%0.82474%0.737SS**  trans-73123.4179.8179.20000110.2
538R26.6Very low26.6Very low249 Ų249130.7 Ų130.794%0.9473%0.727SS**SBendtrans16.6108.8167-91.1-177.2161139.6-4.4117.1F536F536-R538 PolarHBondContact O-N 3.24Å
539G26.4Very low26.7Very low66 Ų66134.9 Ų134.968%0.6874%0.742SS**  trans109.551.4151.700000117.1
540S28.7Very low26.9Very low97 Ų97135.6 Ų135.668%0.67874%0.738SS**  trans-143140.4169.1580000112.1
541T25.9Very low27.1Very low113 Ų113134.4 Ų134.469%0.69374%0.735SS**  trans-80.2161-176.1430000114.5
542H31.7Very low27.3Very low173 Ų173137.3 Ų137.380%0.80174%0.741SS**  trans106.3155.5153.1-54.7-67.6000120.8
543L27.9Very low27.5Very low168 Ų168138.1 Ų138.188%0.8875%0.746SS**  trans78.556.5161.4-66.7168.5000119.9G545L543-G545 VanDerWaalsContact C-N 3.32Å; L543-G545 PolarHBondContact O-N 3.29Å
544T28.8Very low27.5Very low138 Ų138143.4 Ų143.485%0.84776%0.761SS**  trans-74.177.6158.341.90000112.6
545G26.8Very low27.7Very low34 Ų34141.6 Ų141.635%0.35177%0.765SS.*  trans-85.7133.9171.300000113.1L543 F547L543-G545 VanDerWaalsContact C-N 3.32Å; L543-G545 PolarHBondContact O-N 3.29Å; G545-F547 WeakPolarHBondContact O-CD2 3.49Å; G545-F547 PolarHBondContact O-N 2.88Å
546N28.9Very low27.8Very low130 Ų130139.8 Ų139.870%0.69577%0.768SS**  trans-73.7111.6162.8-74.1-75.9000109.1
547F28.8Very low27.7Very low186 Ų186138.8 Ų138.882%0.81677%0.773SS**  trans-100.3129.4172-63.4-82.5000109.9G545G545-F547 WeakPolarHBondContact O-CD2 3.49Å; G545-F547 PolarHBondContact O-N 2.88Å
548S27.4Very low27.6Very low91 Ų91135.2 Ų135.264%0.63676%0.764SS**  trans-95.4130.3167.2173.60000107.8F550S548-F550 PolarHBondContact O-N 3.38Å; S548-F550 PolarHBondContact OG-N 2.93Å; S548-F550 PolarHBondContact OG-O 3.35Å; S548-F550 VanDerWaalsContact OG-O 3.08Å
549T27.5Very low27.5Very low141 Ų141133.7 Ų133.787%0.86576%0.76SS**SBendtrans-71.2-16.1172.241.20000112.7
550F28.2Very low27.4Very low183 Ų183136.4 Ų136.480%0.80376%0.762SS**SBendtrans-93.9110.7173.5-67.5-86.8000111.2S548S548-F550 PolarHBondContact O-N 3.38Å; S548-F550 PolarHBondContact OG-N 2.93Å; S548-F550 PolarHBondContact OG-O 3.35Å; S548-F550 VanDerWaalsContact OG-O 3.08Å
551G28.6Very low27.2Very low70 Ų70136.9 Ų136.972%0.72276%0.761SS**SBendtrans124.996.216100000117
552K29.9Very low27.2Very low208 Ų208138.8 Ų138.890%0.90476%0.762SS**  trans41.6110161.1-70-174176.2-178.90117.9R554K552-R554 PolarHBondContact O-N 3.03Å
553V25.7Very low26.9Very low143 Ų143137 Ų13787%0.86776%0.763SS**  trans-40128.1173.5-178.80000113.4
554R27.1Very low26.6Very low235 Ų235136.7 Ų136.789%0.88776%0.755SS**  trans-129.1109.2156.2-74.5-171.5172.1-160.5-3.1108.4K552 V556K552-R554 PolarHBondContact O-N 3.03Å; R554-V556 PolarHBondContact O-N 2.74Å
555A27.3Very low26.4Very low95 Ų95134.9 Ų134.979%0.78575%0.754SS**  trans-63.8132.8174.200000110.2
556V26.9Very low26.3Very low132 Ų132140.2 Ų140.280%0.878%0.779SS**  trans-108.8117.9170178.10000107.2R554 G558R554-V556 PolarHBondContact O-N 2.74Å; V556-G558 PolarHBondContact O-N 3Å
557V24.2Very low26.2Very low127 Ų127143.1 Ų143.177%0.7779%0.786SS**  trans-80.1105.9176.3-179.80000108.5
558G26.7Very low26Very low60 Ų60144.6 Ų144.662%0.61979%0.786SS**PPolyproline II helixtrans-100.4139.8169.600000111V556V556-G558 PolarHBondContact O-N 3Å
559Y23.6Very low25.9Very low218 Ų218149.4 Ų149.486%0.85580%0.801SS**PPolyproline II helixtrans-83.2125.9174.8-67-91.2000110.3
560V25.2Very low25.7Very low122 Ų122153.4 Ų153.474%0.73980%0.8SS**PPolyproline II helixtrans-90.8121.4171179.50000108.9
561V24.6Very low25.7Very low108 Ų108153.6 Ų153.666%0.65580%0.803SS**  trans-101.4102.3173.6179.70000108.7V563V561-V563 PolarHBondContact O-N 3.28Å
562Q24.5Very low25.5Very low153 Ų153158.8 Ų158.872%0.71581%0.808SS**  trans-78.5109.4177.7-173.4-175.744.800110.7K564Q562-K564 HydrophobicContact CG-CG 4.43Å
563V25.3Very low25.4Very low134 Ų134155.5 Ų155.581%0.81281%0.806SS**  trans-86.5110.5167.9-176.90000108.7V561V561-V563 PolarHBondContact O-N 3.28Å
564K22.8Very low25.5Very low162 Ų162154 Ų15470%0.70480%0.802SS**PPolyproline II helixtrans-83.1127.6172-75.3-175.3175.7179.80110.3Q562 V566Q562-K564 HydrophobicContact CG-CG 4.43Å; K564-V566 PolarHBondContact O-N 2.99Å
565A24.9Very low25.4Very low101 Ų101147.7 Ų147.784%0.83580%0.799SS**PPolyproline II helixtrans-71.6122.4169.700000110.4
566V25.2Very low25.4Very low146 Ų146152 Ų15289%0.88580%0.803SS**PPolyproline II helixtrans-78.4128.6172.5-179.50000108.7K564K564-V566 PolarHBondContact O-N 2.99Å
567K26Very low25.4Very low190 Ų190150.4 Ų150.483%0.82680%0.797SS**PPolyproline II helixtrans-99.3128.2-170.7-160.4175.1-173.6177.60110.5
568R24.1Very low25.4Very low218 Ų218151 Ų15182%0.82381%0.805SS**  trans62.5109.9179.5-63178.3175.6172.6-1.4116
569M24.8Very low25.4Very low192 Ų192154.3 Ų154.395%0.94681%0.809SS**  -117.9147.1106.2-69.2-158.2-62.900108
570R23.2Very low25.4Very low224 Ų224150.6 Ų150.685%0.84581%0.808SS**  trans-95.5132.6163.9-77.1176.4168.7170.2-6.1106.2
571E28.2Very low25.4Very low187 Ų187153.9 Ų153.987%0.87481%0.813SS**  trans-173.5173134.7-106154.1-145.400110.5
572H26.3Very low25.4Very low180 Ų180156 Ų15683%0.83382%0.819SS**  trans-71.7150-166.5-61.4-103.3000113.2
573V27.5Very low25.4Very low139 Ų139156.2 Ų156.284%0.84283%0.825SS**  -172.6162.9114.5145.30000109.4
574S27Very low25.6Very low112 Ų112154.7 Ų154.778%0.78382%0.815SS**  trans-68.2168.3-170.548.20000115.5
575A25.1Very low25.8Very low101 Ų101153.1 Ų153.184%0.83582%0.822SS**  trans-76.4126.2-175.900000113.6
576E26.9Very low26.2Very low186 Ų186151.4 Ų151.487%0.86981%0.808SS**  trans-164.5162.8149.2-114.6169.3-154.600110.1
577C27.4Very low26.3Very low99 Ų99148.8 Ų148.867%0.66981%0.811SS**  trans52.390.9172.6-63.20000119.1N579C577-N579 VanDerWaalsContact C-N 3.3Å; C577-N579 PolarHBondContact O-N 3.17Å
578C25.1Very low26.6Very low139 Ų139144.3 Ų144.394%0.93980%0.803SS**  trans-71.470.2167.3-70.30000114.1
579N25.4Very low26.8Very low130 Ų130141.3 Ų141.370%0.69580%0.802SS**  trans-87112175.3-86.9-54.4000112.7C577 K581C577-N579 VanDerWaalsContact C-N 3.3Å; C577-N579 PolarHBondContact O-N 3.17Å; N579-K581 PolarHBondContact O-N 3.44Å
580V24.1Very low27Very low140 Ų140138.4 Ų138.485%0.84880%0.796SS**PPolyproline II helixtrans-80.6117.9178.8-178.90000111.1
581K24.4Very low27.2Very low191 Ų191138.8 Ų138.883%0.8380%0.797SS**PPolyproline II helixtrans-98.9119.2175.2-67.7176.6-178.1170.50111.1N579N579-K581 PolarHBondContact O-N 3.44Å
582L25.6Very low27.1Very low151 Ų151136.9 Ų136.979%0.79178%0.782SS**PPolyproline II helixtrans-88.2124.1168.1-97.1159.9000110.4
583L25Very low27.1Very low159 Ų159135 Ų13583%0.83278%0.783SS**PPolyproline II helixtrans-98120.3173.7-86.8161.5000110
584T28Very low27.1Very low101 Ų101139.4 Ų139.462%0.6279%0.792SS**PPolyproline II helixtrans-94.8145.9170.851.10000110.7A586T584-A586 PolarHBondContact O-N 3.35Å
585P27Very low27.1Very low129 Ų129140.8 Ų140.884%0.83879%0.792SS**SBendtrans-67.617178.1-23.635.6000116.7
586A33.4Very low27.2Very low66 Ų66142.9 Ų142.955%0.54579%0.79SS.*SBendtrans-134.7102.8176.800000108.7T584 S588T584-A586 PolarHBondContact O-N 3.35Å; A586-S588 VanDerWaalsContact C-N 3.28Å; A586-S588 PolarHBondContact O-N 2.92Å
587G28.6Very low27.3Very low91 Ų91140.5 Ų140.594%0.93879%0.786SS**  trans-74.853-162.700000117.2
588S30.7Very low27.2Very low96 Ų96142.9 Ų142.967%0.67179%0.792SS**  trans-10488171.360.60000110.9A586 T590A586-S588 VanDerWaalsContact C-N 3.28Å; A586-S588 PolarHBondContact O-N 2.92Å; S588-T590 PolarHBondContact O-N 2.94Å; S588-T590 VanDerWaalsContact O-N 3.1Å
589L30.1Very low27.4Very low154 Ų154143.2 Ų143.281%0.80678%0.783SS**  trans-85.977.7-172.2-151.7166000111.5R591L589-R591 VanDerWaalsContact C-N 3.33Å; L589-R591 HydrophobicContact CD2-CB 4.44Å; L589-R591 PolarHBondContact O-N 3.1Å
590T29Very low27.5Very low132 Ų132144.1 Ų144.181%0.8179%0.789SS**  trans-69.390169.841.50000110.5S588 R592S588-T590 PolarHBondContact O-N 2.94Å; S588-T590 VanDerWaalsContact O-N 3.1Å; T590-R592 PolarHBondContact O-N 3.43Å
591R26.2Very low27.8Very low232 Ų232144.4 Ų144.488%0.87579%0.785SS**  trans-59.2100.4172.6-175.2-174.2-171.4-175.93.7110.3L589L589-R591 VanDerWaalsContact C-N 3.33Å; L589-R591 HydrophobicContact CD2-CB 4.44Å; L589-R591 PolarHBondContact O-N 3.1Å
592R26.2Very low28Very low146 Ų146140.8 Ų140.855%0.55178%0.781SS**  trans-109131.2154.6-73.7-164.5174-162.33.9108.5S404 T590S404-R592 VanDerWaalsContact CB-NH1 3.27Å; S404-R592 VanDerWaalsContact CB-NH2 3.3Å; S404-R592 VanDerWaalsContact OG-CZ 3.28Å; S404-R592 PolarHBondContact OG-NH1 3.3Å; S404-R592 VanDerWaalsContact OG-NH1 3.09Å; S404-R592 PolarHBondContact OG-NH2 3.18Å; T590-R592 PolarHBondContact O-N 3.43Å
593T27.5Very low28.2Very low140 Ų140139.9 Ų139.986%0.85978%0.781SS**  trans-64.4137.2164.770000108.9
594F26.9Very low28.5Very low233 Ų233138.2 Ų138.2100%1.02278%0.776SS**  trans-101.50155.4-72-105.6000106.6L407L407-F594 HydrophobicContact CD1-CD1 3.48Å; L407-F594 VanDerWaalsContact CD1-CD1 3.48Å; L407-F594 HydrophobicContact CD1-CE1 3.85Å

Retrieved 594 of 594 residues in 94.6 ms (Link to these results)

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