A0A5K4EMC7_SCHMA Loading...

C2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EMC7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,268 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
1M53.2Low87.6Confident146 Ų14637.1 Ų37.172%0.71918%0.183SC*.  0128.10-67.1161.677.300106.7E59 F131M1-E59 WeakPolarHBondContact CE-OE2 3.48Å; M1-F131 WeakPolarHBondContact O-CD2 3.29Å
2P67.6Low88.5Confident28 Ų2834.2 Ų34.218%0.18217%0.169CC..  trans-73.8-46.2-166.9-24.438.7000114.6D61 D62 V130 F131P2-D61 HydrophobicContact CG-CB 4.42Å; P2-D62 HydrophobicContact CB-CB 4.25Å; P2-D62 HydrophobicContact CG-CB 4.4Å; P2-V130 CarbonylContact O-C 3.6Å; P2-V130 WeakPolarHBondContact O-CA 3.24Å; P2-V130 WeakPolarHBondContact O-CG1 3.38Å; P2-F131 PolarHBondContact O-N 3.11Å
3G79.9Confident89.1Confident2 Ų237.8 Ų37.82%0.02118%0.18CC..EExtended strand (participates in β ladder)trans-160.8164.8176.700000115.8L60 D129G3-L60 PolarHBondContact N-O 2.97Å; G3-L60 PolarHBondContact O-N 3.03Å; G3-L60 VanDerWaalsContact O-N 3.09Å; G3-D129 CarbonylContact C-O 3.58Å; G3-D129 WeakPolarHBondContact CA-O 3.29Å
4T89.6Confident89.5Confident20 Ų2041.6 Ų41.612%0.12320%0.201CC..EExtended strand (participates in β ladder)trans-130127.7173.1660000110.1F58 E59 D129T4-F58 CarbonylContact C-O 3.59Å; T4-F58 VanDerWaalsContact CA-O 3.24Å; T4-F58 WeakPolarHBondContact CA-O 3.37Å; T4-E59 HydrophobicContact CG2-CG 4.16Å; T4-D129 PolarHBondContact N-O 2.89Å; T4-D129 PolarHBondContact O-N 3.31Å
5V93Very high90Very high0 Ų039.3 Ų39.30%019%0.19CC..EExtended strand (participates in β ladder)trans-98.1128.8174.6-178.20000108.3V7 I33 C57 F58 L60 L65 L70 L93 V128V5-V7 HydrophobicContact CG1-CG2 4.14Å; V5-I33 HydrophobicContact CB-CD1 4.04Å; V5-I33 HydrophobicContact CG1-CD1 3.99Å; V5-I33 HydrophobicContact CG2-CD1 4.29Å; V5-C57 WeakPolarHBondContact O-CA 3.46Å; V5-F58 HydrophobicContact CB-CB 4.32Å; V5-F58 PolarHBondContact N-O 3.04Å; V5-F58 PolarHBondContact O-N 3.27Å; V5-L60 HydrophobicContact CG2-CD1 3.74Å; V5-L65 HydrophobicContact CG2-CD1 3.71Å; V5-L70 HydrophobicContact CG1-CD2 4.49Å; V5-L93 HydrophobicContact CG1-CD2 4.27Å; V5-L93 HydrophobicContact CG2-CD1 3.81Å; V5-V128 HydrophobicContact CG1-CG2 4.42Å; V5-V128 HydrophobicContact CG2-CG1 4.16Å; V5-V128 HydrophobicContact CG2-CG2 4.29Å
6K94.7Very high90.3Very high58 Ų5838.1 Ų38.125%0.25219%0.187SC..EExtended strand (participates in β ladder)trans-118.8126.5-177.2-61.2177.8179.7158.20108.5W55 F56 I126 R127 D129K6-W55 HydrophobicContact CB-CD2 4.43Å; K6-W55 HydrophobicContact CB-CE3 3.7Å; K6-W55 HydrophobicContact CB-CZ3 4.2Å; K6-F56 CarbonylContact C-O 3.41Å; K6-F56 WeakPolarHBondContact CA-O 3.11Å; K6-I126 CarbonylContact O-C 3.48Å; K6-I126 WeakPolarHBondContact O-CA 3.34Å; K6-R127 HydrophobicContact CB-CB 4.44Å; K6-R127 PolarHBondContact N-O 2.93Å; K6-R127 PolarHBondContact O-N 2.86Å; K6-D129 IonicContact NZ-OD2 2.98Å; K6-D129 PolarHBondContact NZ-OD2 2.66Å
7V96.8Very high90.5Very high0 Ų039.8 Ų39.80%020%0.2CC..EExtended strand (participates in β ladder)trans-127.7135.2-177-169.30000110.5V5 L31 W55 F56 F58 L70 L72 I126V5-V7 HydrophobicContact CG1-CG2 4.14Å; V7-L31 HydrophobicContact CB-CD2 3.79Å; V7-L31 HydrophobicContact CG1-CD2 3.45Å; V7-L31 VanDerWaalsContact CG1-CD2 3.45Å; V7-W55 CarbonylContact O-C 3.59Å; V7-F56 PolarHBondContact N-O 3.43Å; V7-F56 PolarHBondContact O-N 2.87Å; V7-F58 HydrophobicContact CG2-CD2 4.35Å; V7-F58 HydrophobicContact CG2-CE2 3.97Å; V7-L70 HydrophobicContact CG2-CD1 4.21Å; V7-L70 HydrophobicContact CG2-CD2 3.62Å; V7-L72 HydrophobicContact CG1-CD2 4.46Å; V7-I126 HydrophobicContact CB-CG1 4.38Å; V7-I126 HydrophobicContact CG1-CD1 4.46Å; V7-I126 HydrophobicContact CG1-CG1 3.77Å; V7-I126 HydrophobicContact CG2-CG1 4.18Å
8R96.8Very high90.5Very high88 Ų8839.7 Ų39.733%0.33220%0.199SC..EExtended strand (participates in β ladder)trans-124.6127.9175.7-165.1-176.5-175.1-157.8-3.7110N52 S53 W55 A125R8-N52 PolarHBondContact NH2-O 2.87Å; R8-S53 WeakPolarHBondContact CD-O 3.33Å; R8-S53 WeakPolarHBondContact CG-O 3.34Å; R8-S53 PolarHBondContact NE-O 2.88Å; R8-W55 HydrophobicContact CB-CD2 4.02Å; R8-W55 HydrophobicContact CB-CE3 3.8Å; R8-W55 HydrophobicContact CB-CH2 4.24Å; R8-W55 HydrophobicContact CB-CZ2 4.42Å; R8-W55 HydrophobicContact CB-CZ3 3.93Å; R8-A125 HydrophobicContact CB-CB 4.29Å; R8-A125 PolarHBondContact N-O 3.2Å; R8-A125 PolarHBondContact O-N 3.17Å
9V97.5Very high90.3Very high0 Ų040.7 Ų40.70%021%0.205CC..EExtended strand (participates in β ladder)trans-98.8113.8177.6-172.60000108.8V29 L31 T40 W51 N52 S53 F56 L72 I122 L124V9-V29 HydrophobicContact CG1-CB 4.45Å; V9-V29 HydrophobicContact CG1-CG2 4.07Å; V9-V29 HydrophobicContact CG2-CG1 4.49Å; V9-L31 HydrophobicContact CG2-CD1 4.12Å; V9-L31 HydrophobicContact CG2-CD2 3.88Å; V9-L31 HydrophobicContact CG2-CG 4.37Å; V9-T40 HydrophobicContact CB-CG2 3.95Å; V9-T40 HydrophobicContact CG1-CG2 4.18Å; V9-T40 HydrophobicContact CG2-CG2 3.89Å; V9-W51 HydrophobicContact CG1-CD2 4.12Å; V9-W51 HydrophobicContact CG1-CE3 3.55Å; V9-W51 HydrophobicContact CG1-CZ3 4Å; V9-N52 PolarHBondContact O-N 3.25Å; V9-S53 PolarHBondContact N-OG 2.91Å; V9-S53 PolarHBondContact O-N 2.86Å; V9-F56 HydrophobicContact CG2-CE2 4.26Å; V9-L72 HydrophobicContact CG2-CD2 4.28Å; V9-I122 HydrophobicContact CG1-CD1 4.16Å; V9-L124 HydrophobicContact CB-CD2 4.26Å; V9-L124 HydrophobicContact CG1-CD2 4.11Å; V9-L124 HydrophobicContact CG2-CD2 4.05Å
10I97.2Very high90.1Very high44 Ų4449.6 Ų49.623%0.22624%0.236CC..EExtended strand (participates in β ladder)trans-90.7-63.9-172.6-58.6169.8000109.3W51 N52 C123 A125I10-W51 PolarHBondContact O-N 2.89Å; I10-N52 PolarHBondContact O-N 2.95Å; I10-C123 HydrophobicContact CB-CB 4.17Å; I10-C123 WeakPolarHBondContact CB-O 3.45Å; I10-C123 PolarHBondContact N-O 3.11Å; I10-A125 HydrophobicContact CD1-CB 4.3Å
11S97.6Very high89.9Confident22 Ų2251.3 Ų51.315%0.15426%0.258CS..EExtended strand (participates in β ladder)trans-160.7171.2-176.853.50000110.9P49 W108 C123S11-P49 CarbonylContact C-O 3.45Å; S11-P49 WeakPolarHBondContact CA-O 3.43Å; S11-P49 WeakPolarHBondContact CB-O 3.2Å; S11-W108 WeakPolarHBondContact OG-CH2 3.17Å; S11-C123 PolarHBondContact O-N 2.8Å
12A97.5Very high91.5Very high2 Ų246.2 Ų46.22%0.01724%0.236CC..EExtended strand (participates in β ladder)trans-128.5163.7161.700000109.9L15 N48 P49 W51 I111 E121 I122A12-L15 HydrophobicContact CB-CD1 4.28Å; A12-L15 HydrophobicContact CB-CD2 4.03Å; A12-L15 HydrophobicContact CB-CG 4.22Å; A12-N48 CarbonylContact O-C 3.51Å; A12-N48 VanDerWaalsContact O-C 3.29Å; A12-N48 WeakPolarHBondContact O-CA 3.45Å; A12-P49 HydrophobicContact CB-CG 3.89Å; A12-P49 PolarHBondContact N-O 3.49Å; A12-W51 HydrophobicContact CB-CH2 4Å; A12-W51 HydrophobicContact CB-CZ3 3.83Å; A12-I111 HydrophobicContact CB-CD1 4.44Å; A12-E121 CarbonylContact C-O 3.48Å; A12-E121 WeakPolarHBondContact CA-O 3.14Å; A12-E121 WeakPolarHBondContact CB-O 3.3Å; A12-I122 HydrophobicContact CB-CB 4.39Å; A12-I122 HydrophobicContact CB-CG1 4.37Å
13R96.4Very high92.5Very high82 Ų8251.9 Ų51.931%0.30926%0.258SS..EExtended strand (participates in β ladder)trans-142.9157.117873.7-175.3-178.9-158.7-3.4112.2L15 N48 W108 G120 E121R13-L15 PolarHBondContact O-N 2.87Å; R13-N48 WeakPolarHBondContact CA-OD1 3.24Å; R13-N48 WeakPolarHBondContact CB-OD1 3.14Å; R13-W108 HydrophobicContact CB-CH2 4.04Å; R13-W108 HydrophobicContact CB-CZ3 3.84Å; R13-W108 HydrophobicContact CG-CE3 3.9Å; R13-W108 HydrophobicContact CG-CH2 3.93Å; R13-W108 HydrophobicContact CG-CZ3 3.45Å; R13-W108 VanDerWaalsContact CG-CZ3 3.45Å; R13-G120 WeakPolarHBondContact O-CA 3.39Å; R13-E121 HydrophobicContact CG-CB 4.24Å; R13-E121 IonicContact CZ-OE2 2.75Å; R13-E121 PolarHBondContact N-O 3.25Å; R13-E121 IonicContact NE-OE2 3.96Å; R13-E121 PolarHBondContact NE-OE2 3.44Å; R13-E121 IonicContact NH2-OE1 3.77Å; R13-E121 PolarHBondContact NH2-OE1 2.95Å; R13-E121 IonicContact NH2-OE2 3.1Å; R13-E121 PolarHBondContact NH2-OE2 3.36Å; R13-E121 PolarHBondContact O-N 2.9Å
14N95.6Very high93.1Very high91 Ų9154.5 Ų54.549%0.48727%0.271SS..SBendtrans53.734.4178.6-55.8-30.2000113.1L47 N48 G120N14-L47 PolarHBondContact N-O 2.95Å; N14-N48 PolarHBondContact N-OD1 2.78Å; N14-G120 WeakPolarHBondContact O-CA 3.45Å
15L96.6Very high93.2Very high6 Ų653.5 Ų53.53%0.03127%0.265CS..PPolyproline II helixtrans-62.6148.9174.5-63.8-174.1000110.3A12 R13 A27 L47 P49 I111A12-L15 HydrophobicContact CB-CD1 4.28Å; A12-L15 HydrophobicContact CB-CD2 4.03Å; A12-L15 HydrophobicContact CB-CG 4.22Å; R13-L15 PolarHBondContact O-N 2.87Å; L15-A27 HydrophobicContact CD1-CB 3.81Å; L15-L47 HydrophobicContact CB-CB 4.5Å; L15-L47 WeakPolarHBondContact CB-O 3.48Å; L15-L47 PolarHBondContact N-O 3.29Å; L15-P49 HydrophobicContact CD1-CG 3.69Å; L15-I111 HydrophobicContact CD2-CD1 3.38Å
16P94.8Very high93.3Very high21 Ų2154.9 Ų54.914%0.13627%0.272CS..PPolyproline II helixtrans-65.8151.8171.332-38.8000110.8M18 T25 I86 R119P16-M18 HydrophobicContact CG-SD 4.04Å; P16-M18 PolarHBondContact O-N 3.3Å; P16-T25 PolarHBondContact O-OG1 2.79Å; P16-I86 HydrophobicContact CG-CG2 3.68Å; P16-R119 VanDerWaalsContact CB-CZ 3.45Å; P16-R119 WeakPolarHBondContact CD-O 3.47Å; P16-R119 HydrophobicContact CG-CB 4.42Å
17V93.2Very high93.3Very high67 Ų6752.1 Ų52.141%0.40626%0.26SS..PPolyproline II helixtrans-63.8127161.6176.80000108.8D19 F23 L47V17-D19 WeakPolarHBondContact CG1-O 3.2Å; V17-F23 WeakPolarHBondContact CG2-O 3.13Å; V17-L47 HydrophobicContact CG2-CD1 4.04Å; V17-L47 HydrophobicContact CG2-CD2 4.27Å
18M90.6Very high93.3Very high38 Ų3852.4 Ų52.419%0.18726%0.261CS..  trans-110.5-50.9175.5-62.7-63.5-65.200110.5P16 R20 L24 T25 D76 D84 I86P16-M18 HydrophobicContact CG-SD 4.04Å; P16-M18 PolarHBondContact O-N 3.3Å; M18-R20 PolarHBondContact O-N 3.07Å; M18-L24 PolarHBondContact N-O 2.83Å; M18-T25 HydrophobicContact CB-CG2 4.17Å; M18-T25 HydrophobicContact CG-CG2 3.83Å; M18-T25 PolarHBondContact N-OG1 2.71Å; M18-D76 HydrophobicContact CB-CB 4.16Å; M18-D76 WeakPolarHBondContact CB-OD2 3.5Å; M18-D76 HydrophobicContact CG-CB 4.18Å; M18-D84 HydrophobicContact CE-CB 3.9Å; M18-I86 HydrophobicContact CE-CG1 4.29Å; M18-I86 HydrophobicContact CG-CD1 4.2Å; M18-I86 HydrophobicContact CG-CG1 3.98Å; M18-I86 HydrophobicContact SD-CG1 4.13Å
19D87.1Confident93.4Very high58 Ų5848.2 Ų48.231%0.3125%0.246SC..BIsolated β-bridgetrans-79121.3173.5173.931.5000111.9V17 A21 T22 F23 L24V17-D19 WeakPolarHBondContact CG1-O 3.2Å; D19-A21 VanDerWaalsContact C-N 3.34Å; D19-A21 WeakPolarHBondContact OD1-CB 3.36Å; D19-A21 PolarHBondContact OD1-N 2.95Å; D19-T22 VanDerWaalsContact OD2-CB 3.24Å; D19-T22 WeakPolarHBondContact OD2-CB 3.41Å; D19-T22 VanDerWaalsContact OD2-CG2 3.25Å; D19-T22 WeakPolarHBondContact OD2-CG2 3.44Å; D19-T22 PolarHBondContact OD2-N 2.93Å; D19-T22 PolarHBondContact OD2-OG1 2.87Å; D19-F23 VanDerWaalsContact O-CA 3.32Å; D19-F23 WeakPolarHBondContact O-CA 3.42Å; D19-F23 PolarHBondContact O-N 3.01Å; D19-L24 PolarHBondContact N-O 2.88Å
20R85.5Confident93.4Very high219 Ų21949.4 Ų49.483%0.82625%0.251SS*.THydrogen-bonded Turntrans-77.3-15.8178-59.7-178.9-175.4175.51.9113.8M18M18-R20 PolarHBondContact O-N 3.07Å
21A86.4Confident93.4Very high85 Ų8547.3 Ų47.370%0.70224%0.24SC*.THydrogen-bonded Turntrans-85.2-42.1179.900000112.2D19D19-A21 VanDerWaalsContact C-N 3.34Å; D19-A21 WeakPolarHBondContact OD1-CB 3.36Å; D19-A21 PolarHBondContact OD1-N 2.95Å
22T86.4Confident93.2Very high40 Ų4047.1 Ų47.125%0.24524%0.239CC..THydrogen-bonded Turntrans-92.3-13.1176.259.30000114.2D19 L24 R45D19-T22 VanDerWaalsContact OD2-CB 3.24Å; D19-T22 WeakPolarHBondContact OD2-CB 3.41Å; D19-T22 VanDerWaalsContact OD2-CG2 3.25Å; D19-T22 WeakPolarHBondContact OD2-CG2 3.44Å; D19-T22 PolarHBondContact OD2-N 2.93Å; D19-T22 PolarHBondContact OD2-OG1 2.87Å; T22-L24 WeakPolarHBondContact O-CG 3.34Å; T22-L24 PolarHBondContact O-N 2.92Å; T22-L24 PolarHBondContact OG1-N 2.61Å; T22-R45 HydrophobicContact CG2-CG 4.42Å
23F89.5Confident93Very high147 Ų14747.1 Ų47.165%0.64524%0.238SC*.THydrogen-bonded Turntrans57.328.1-168.4-61.3-88.5000113.4V17 D19V17-F23 WeakPolarHBondContact CG2-O 3.13Å; D19-F23 VanDerWaalsContact O-CA 3.32Å; D19-F23 WeakPolarHBondContact O-CA 3.42Å; D19-F23 PolarHBondContact O-N 3.01Å
24L92.2Very high92.4Very high56 Ų5645 Ų4529%0.29324%0.243SC..BIsolated β-bridgetrans-137.5-164.9-175.3-64.4167.9000109.6M18 D19 T22 R45 L47M18-L24 PolarHBondContact N-O 2.83Å; D19-L24 PolarHBondContact N-O 2.88Å; T22-L24 WeakPolarHBondContact O-CG 3.34Å; T22-L24 PolarHBondContact O-N 2.92Å; T22-L24 PolarHBondContact OG1-N 2.61Å; L24-R45 HydrophobicContact CB-CB 4.27Å; L24-R45 HydrophobicContact CD1-CB 3.83Å; L24-L47 HydrophobicContact CD2-CD2 4.47Å; L24-L47 HydrophobicContact CD2-CG 3.99Å
25T92Very high92Very high0 Ų046.3 Ų46.30%026%0.259CS..  trans-148.9137-170.7-57.70000108.8P16 M18 A27 R45 S46 L47 D76 I86P16-T25 PolarHBondContact O-OG1 2.79Å; M18-T25 HydrophobicContact CB-CG2 4.17Å; M18-T25 HydrophobicContact CG-CG2 3.83Å; M18-T25 PolarHBondContact N-OG1 2.71Å; T25-A27 HydrophobicContact CG2-CB 4.25Å; T25-R45 WeakPolarHBondContact O-CA 3.41Å; T25-R45 PolarHBondContact O-N 3.44Å; T25-R45 VanDerWaalsContact O-N 3.11Å; T25-S46 PolarHBondContact O-N 2.73Å; T25-L47 WeakPolarHBondContact OG1-CD2 3.35Å; T25-D76 HydrophobicContact CG2-CB 4.36Å; T25-D76 VanDerWaalsContact CG2-OD1 3.23Å; T25-D76 WeakPolarHBondContact CG2-OD1 3.43Å; T25-I86 HydrophobicContact CG2-CD1 3.52Å
26D94.3Very high91.8Very high29 Ų2948.7 Ų48.716%0.15527%0.271CS..  trans-100.669.5178.8-87.920.2000109.3V42 V43 R44 R45 D76 H77D26-V42 HydrophobicContact CB-CG1 4.21Å; D26-V43 CarbonylContact C-O 3.56Å; D26-R44 HydrophobicContact CB-CG 4.4Å; D26-R44 WeakPolarHBondContact OD1-CA 3.37Å; D26-R44 WeakPolarHBondContact OD1-CB 3.33Å; D26-R44 WeakPolarHBondContact OD2-CD 3.5Å; D26-R44 WeakPolarHBondContact OD2-CG 3.38Å; D26-R44 IonicContact OD2-NE 3.13Å; D26-R44 PolarHBondContact OD2-NE 3.26Å; D26-R45 PolarHBondContact OD1-N 2.98Å; D26-D76 WeakPolarHBondContact CA-OD1 3.36Å; D26-D76 PolarHBondContact N-OD1 3.38Å; D26-H77 HydrophobicContact CB-CB 4.25Å; D26-H77 VanDerWaalsContact O-CB 3.29Å; D26-H77 WeakPolarHBondContact O-CB 3.38Å; D26-H77 PolarHBondContact O-N 2.86Å
27A96.1Very high91.8Very high0 Ų051 Ų510%029%0.285CS..EExtended strand (participates in β ladder)trans-77139-16400000114.8L15 T25 V43 P49 W51 M75L15-A27 HydrophobicContact CD1-CB 3.81Å; T25-A27 HydrophobicContact CG2-CB 4.25Å; A27-V43 PolarHBondContact N-O 3.23Å; A27-V43 PolarHBondContact O-N 3.34Å; A27-P49 HydrophobicContact CB-CB 4.28Å; A27-P49 HydrophobicContact CB-CG 3.94Å; A27-W51 HydrophobicContact CB-CH2 4.44Å; A27-W51 HydrophobicContact CB-CZ2 3.98Å; A27-M75 WeakPolarHBondContact CA-O 3.13Å
28F96.9Very high92Very high6 Ų652.2 Ų52.23%0.02628%0.283CS..EExtended strand (participates in β ladder)trans-139.8169.5163.273.3-78.6000111.4E30 K39 E41 V42 M75 H77 H83F28-E30 HydrophobicContact CD2-CG 4.4Å; F28-E30 HydrophobicContact CE2-CG 3.79Å; F28-K39 HydrophobicContact CE2-CD 4.2Å; F28-E41 WeakPolarHBondContact CB-O 3.17Å; F28-V42 HydrophobicContact CB-CG2 4.05Å; F28-V42 HydrophobicContact CD1-CG2 4.25Å; F28-V42 HydrophobicContact CG-CG2 4.29Å; F28-M75 HydrophobicContact CD1-CB 3.75Å; F28-M75 HydrophobicContact CD2-CB 4.23Å; F28-M75 HydrophobicContact CE1-CB 3.31Å; F28-M75 HydrophobicContact CE1-CG 4.3Å; F28-M75 HydrophobicContact CE2-CB 3.81Å; F28-M75 HydrophobicContact CE2-CG 3.99Å; F28-M75 HydrophobicContact CG-CB 4.2Å; F28-M75 HydrophobicContact CZ-CB 3.33Å; F28-M75 HydrophobicContact CZ-CG 3.81Å; F28-M75 PolarHBondContact N-O 2.85Å; F28-M75 PolarHBondContact O-N 3.13Å; F28-H77 HydrophobicContact CD1-CB 3.8Å; F28-H77 HydrophobicContact CE1-CB 3.93Å; F28-H83 HydrophobicContact CE1-CB 4.14Å; F28-H83 AromaticContact CE1-CD2 3.91Å; F28-H83 HydrophobicContact CZ-CB 4.16Å; F28-H83 AromaticContact CZ-CD2 3.58Å
29V97.7Very high92.3Very high0 Ų055.7 Ų55.70%030%0.297CS..EExtended strand (participates in β ladder)trans-126.1128.8-177.2-173.10000110.5V9 L31 K39 T40 W51 L72 K73 V74 I122V9-V29 HydrophobicContact CG1-CB 4.45Å; V9-V29 HydrophobicContact CG1-CG2 4.07Å; V9-V29 HydrophobicContact CG2-CG1 4.49Å; V29-L31 HydrophobicContact CG1-CD1 4.46Å; V29-K39 CarbonylContact O-C 3.59Å; V29-K39 WeakPolarHBondContact O-CA 3.49Å; V29-T40 HydrophobicContact CB-CG2 3.94Å; V29-T40 PolarHBondContact N-OG1 3.33Å; V29-T40 PolarHBondContact O-N 3.23Å; V29-W51 HydrophobicContact CG2-CE3 4.46Å; V29-W51 HydrophobicContact CG2-CH2 3.56Å; V29-W51 HydrophobicContact CG2-CZ2 3.74Å; V29-W51 HydrophobicContact CG2-CZ3 3.95Å; V29-L72 HydrophobicContact CG1-CB 4.23Å; V29-L72 HydrophobicContact CG1-CD2 3.93Å; V29-L72 HydrophobicContact CG1-CG 4.49Å; V29-K73 CarbonylContact C-O 3.57Å; V29-K73 VanDerWaalsContact CA-O 3.31Å; V29-K73 WeakPolarHBondContact CA-O 3.4Å; V29-V74 HydrophobicContact CG2-CG1 4.48Å; V29-V74 HydrophobicContact CG2-CG2 4.46Å; V29-I122 HydrophobicContact CG1-CD1 4.15Å; V29-I122 HydrophobicContact CG2-CD1 3.86Å
30E97.1Very high92.8Very high25 Ų2553.8 Ų53.812%0.11729%0.287CS..EExtended strand (participates in β ladder)trans-94.6137166.1-53.2-168.2145.800109.4F28 Y38 K39 L72 K73 M75F28-E30 HydrophobicContact CD2-CG 4.4Å; F28-E30 HydrophobicContact CE2-CG 3.79Å; E30-Y38 WeakPolarHBondContact CA-O 3.4Å; E30-K39 HydrophobicContact CG-CD 4.23Å; E30-K39 HydrophobicContact CG-CG 4.26Å; E30-K39 VanDerWaalsContact OE1-CE 3.22Å; E30-K39 WeakPolarHBondContact OE1-CE 3.48Å; E30-K39 IonicContact OE1-NZ 3.21Å; E30-K39 PolarHBondContact OE1-NZ 2.81Å; E30-L72 CarbonylContact O-C 3.55Å; E30-L72 VanDerWaalsContact O-CA 3.3Å; E30-L72 WeakPolarHBondContact O-CA 3.26Å; E30-K73 HydrophobicContact CB-CB 4.33Å; E30-K73 PolarHBondContact N-O 3.09Å; E30-K73 PolarHBondContact O-N 3.4Å; E30-K73 IonicContact OE2-NZ 2.89Å; E30-K73 PolarHBondContact OE2-NZ 2.87Å; E30-M75 HydrophobicContact CG-CG 4.07Å
31L97.2Very high93.3Very high0 Ų051.3 Ų51.30%029%0.285CS..EExtended strand (participates in β ladder)trans-119.1117.9176.7-55.791.6000108.9V7 V9 V29 T37 Y38 T40 F56 F58 L72V7-L31 HydrophobicContact CB-CD2 3.79Å; V7-L31 HydrophobicContact CG1-CD2 3.45Å; V7-L31 VanDerWaalsContact CG1-CD2 3.45Å; V9-L31 HydrophobicContact CG2-CD1 4.12Å; V9-L31 HydrophobicContact CG2-CD2 3.88Å; V9-L31 HydrophobicContact CG2-CG 4.37Å; V29-L31 HydrophobicContact CG1-CD1 4.46Å; L31-T37 CarbonylContact O-C 3.51Å; L31-T37 VanDerWaalsContact O-CA 3.26Å; L31-T37 WeakPolarHBondContact O-CA 3.14Å; L31-Y38 PolarHBondContact N-O 3.06Å; L31-Y38 PolarHBondContact O-N 3.26Å; L31-T40 HydrophobicContact CD1-CG2 4.38Å; L31-F56 HydrophobicContact CD1-CD2 3.91Å; L31-F56 HydrophobicContact CD1-CE2 3.85Å; L31-F56 HydrophobicContact CD1-CG 4.46Å; L31-F56 HydrophobicContact CD1-CZ 4.35Å; L31-F56 HydrophobicContact CD2-CD2 3.86Å; L31-F56 HydrophobicContact CD2-CE2 4.46Å; L31-F56 HydrophobicContact CD2-CG 4.47Å; L31-F58 HydrophobicContact CB-CZ 3.95Å; L31-L72 HydrophobicContact CB-CG 4.49Å; L31-L72 HydrophobicContact CD2-CD2 3.74Å; L31-L72 HydrophobicContact CD2-CG 4.19Å; L31-L72 HydrophobicContact CG-CD2 3.86Å; L31-L72 HydrophobicContact CG-CG 4.03Å
32C94.5Very high93.8Very high17 Ų1749.3 Ų49.312%0.11526%0.264CS..EExtended strand (participates in β ladder)trans-119.9136.9-177.1-59.30000111.3I36 T37 L71C32-I36 WeakPolarHBondContact CA-O 3.32Å; C32-T37 PolarHBondContact SG-OG1 3.17Å; C32-T37 VanDerWaalsContact SG-OG1 3.38Å; C32-L71 HydrophobicContact CB-CB 4.35Å; C32-L71 PolarHBondContact N-O 3Å; C32-L71 PolarHBondContact O-N 3.06Å
33I92.2Very high94.2Very high2 Ų249.1 Ų49.11%0.0126%0.262CS..EExtended strand (participates in β ladder)trans-134119.5158.1-47.6-176.7000107.8V5 S35 I36 F58 L60 E68 L70V5-I33 HydrophobicContact CB-CD1 4.04Å; V5-I33 HydrophobicContact CG1-CD1 3.99Å; V5-I33 HydrophobicContact CG2-CD1 4.29Å; I33-S35 PolarHBondContact O-N 3.47Å; I33-I36 PolarHBondContact N-O 2.8Å; I33-I36 PolarHBondContact O-N 3.45Å; I33-F58 HydrophobicContact CB-CD1 3.99Å; I33-F58 HydrophobicContact CB-CE1 4.19Å; I33-F58 HydrophobicContact CD1-CB 3.87Å; I33-F58 HydrophobicContact CD1-CD1 3.86Å; I33-F58 HydrophobicContact CD1-CD2 3.68Å; I33-F58 HydrophobicContact CD1-CE1 4.27Å; I33-F58 HydrophobicContact CD1-CE2 4.11Å; I33-F58 HydrophobicContact CD1-CG 3.55Å; I33-F58 HydrophobicContact CD1-CZ 4.37Å; I33-F58 HydrophobicContact CG1-CD1 3.74Å; I33-F58 HydrophobicContact CG1-CD2 4.21Å; I33-F58 HydrophobicContact CG1-CE1 3.77Å; I33-F58 HydrophobicContact CG1-CE2 4.24Å; I33-F58 HydrophobicContact CG1-CG 3.97Å; I33-F58 HydrophobicContact CG1-CZ 4.02Å; I33-L60 HydrophobicContact CD1-CD1 4.16Å; I33-L60 HydrophobicContact CG2-CD1 3.99Å; I33-L60 HydrophobicContact CG2-CD2 4.18Å; I33-E68 HydrophobicContact CG2-CB 4.18Å; I33-L70 HydrophobicContact CD1-CB 4.14Å; I33-L70 HydrophobicContact CD1-CD1 4.06Å; I33-L70 HydrophobicContact CG1-CB 4.06Å; I33-L70 HydrophobicContact CG1-CD1 3.72Å; I33-L70 HydrophobicContact CG1-CG 4.47Å
34G85.5Confident94.4Very high39 Ų3948.7 Ų48.740%0.40226%0.257SS..THydrogen-bonded Turntrans54.5-111.4-174.100000112.2
35S85.8Confident94.4Very high118 Ų11853.9 Ų53.983%0.82527%0.272SS*.THydrogen-bonded Turntrans-95.6-13177.155.90000114.9I33I33-S35 PolarHBondContact O-N 3.47Å
36I92.8Very high94.5Very high56 Ų5655.4 Ų55.429%0.28728%0.283SS..EExtended strand (participates in β ladder)trans-85.3131.1-176.3-54.5174.1000108.8C32 I33 Y38 F58C32-I36 WeakPolarHBondContact CA-O 3.32Å; I33-I36 PolarHBondContact N-O 2.8Å; I33-I36 PolarHBondContact O-N 3.45Å; I36-Y38 HydrophobicContact CG2-CD2 4.47Å; I36-Y38 HydrophobicContact CG2-CE2 3.9Å; I36-F58 HydrophobicContact CB-CD1 3.84Å; I36-F58 HydrophobicContact CB-CE1 4.13Å; I36-F58 HydrophobicContact CG2-CD1 3.55Å; I36-F58 HydrophobicContact CG2-CE1 3.8Å
37T95.1Very high94.6Very high69 Ų6956.1 Ų56.142%0.42329%0.287SS..EExtended strand (participates in β ladder)trans-135.4131.6178.4-59.70000111.9L31 C32L31-T37 CarbonylContact O-C 3.51Å; L31-T37 VanDerWaalsContact O-CA 3.26Å; L31-T37 WeakPolarHBondContact O-CA 3.14Å; C32-T37 PolarHBondContact SG-OG1 3.17Å; C32-T37 VanDerWaalsContact SG-OG1 3.38Å
38Y97.2Very high94.6Very high93 Ų9360.4 Ų60.437%0.36531%0.309SS..EExtended strand (participates in β ladder)trans-115.7163.9168.3-65.8-70.1000110.8E30 L31 I36 F56 C57 F58E30-Y38 WeakPolarHBondContact CA-O 3.4Å; L31-Y38 PolarHBondContact N-O 3.06Å; L31-Y38 PolarHBondContact O-N 3.26Å; I36-Y38 HydrophobicContact CG2-CD2 4.47Å; I36-Y38 HydrophobicContact CG2-CE2 3.9Å; Y38-F56 HydrophobicContact CD1-CD1 4.13Å; Y38-F56 HydrophobicContact CD2-CB 4.01Å; Y38-F56 HydrophobicContact CD2-CD1 4.34Å; Y38-F56 HydrophobicContact CG-CB 4.28Å; Y38-F56 AromaticContact CG-CD1 3.75Å; Y38-F56 HydrophobicContact CG-CD1 3.75Å; Y38-F56 HydrophobicContact CG-CG 4.34Å; Y38-C57 PolarHBondContact OH-O 2.87Å; Y38-F58 HydrophobicContact CD2-CD1 4.25Å; Y38-F58 AromaticContact CD2-CE1 3.71Å; Y38-F58 HydrophobicContact CD2-CE1 3.71Å; Y38-F58 HydrophobicContact CD2-CE2 4.07Å; Y38-F58 AromaticContact CD2-CZ 3.62Å; Y38-F58 HydrophobicContact CD2-CZ 3.62Å; Y38-F58 HydrophobicContact CE2-CD1 4.04Å; Y38-F58 AromaticContact CE2-CE1 3.97Å; Y38-F58 HydrophobicContact CE2-CE1 3.97Å; Y38-F58 HydrophobicContact CE2-CE2 4.47Å; Y38-F58 HydrophobicContact CE2-CG 4.33Å; Y38-F58 HydrophobicContact CE2-CZ 4.2Å
39K96.6Very high94.6Very high111 Ų11160.2 Ų60.248%0.48331%0.309SS..EExtended strand (participates in β ladder)trans-137148.6176.1-53-164.8-173.2-155.40110.9F28 V29 E30F28-K39 HydrophobicContact CE2-CD 4.2Å; V29-K39 CarbonylContact O-C 3.59Å; V29-K39 WeakPolarHBondContact O-CA 3.49Å; E30-K39 HydrophobicContact CG-CD 4.23Å; E30-K39 HydrophobicContact CG-CG 4.26Å; E30-K39 VanDerWaalsContact OE1-CE 3.22Å; E30-K39 WeakPolarHBondContact OE1-CE 3.48Å; E30-K39 IonicContact OE1-NZ 3.21Å; E30-K39 PolarHBondContact OE1-NZ 2.81Å
40T97.6Very high94.6Very high17 Ų1763.4 Ų63.410%0.10433%0.331CS..  trans-81.4170.8167.166.90000111.6V9 V29 L31 W51 F56V9-T40 HydrophobicContact CB-CG2 3.95Å; V9-T40 HydrophobicContact CG1-CG2 4.18Å; V9-T40 HydrophobicContact CG2-CG2 3.89Å; V29-T40 HydrophobicContact CB-CG2 3.94Å; V29-T40 PolarHBondContact N-OG1 3.33Å; V29-T40 PolarHBondContact O-N 3.23Å; L31-T40 HydrophobicContact CD1-CG2 4.38Å; T40-W51 HydrophobicContact CG2-CG 4.41Å; T40-W51 PolarHBondContact OG1-NE1 3.25Å; T40-F56 HydrophobicContact CG2-CE2 4.13Å; T40-F56 HydrophobicContact CG2-CZ 4.21Å
41E96.2Very high94.5Very high167 Ų16763.7 Ų63.778%0.7833%0.331SS*.  trans-63.3163.1161.4-60.2-174.917500112F28 W51F28-E41 WeakPolarHBondContact CB-O 3.17Å; E41-W51 VanDerWaalsContact O-CD1 3.25Å; E41-W51 PolarHBondContact O-NE1 3.48Å
42V96.1Very high94.4Very high43 Ų4367.7 Ų67.726%0.26135%0.353SS..  trans-92.3114.1177.4179.60000109.8D26 F28 R44 H77D26-V42 HydrophobicContact CB-CG1 4.21Å; F28-V42 HydrophobicContact CB-CG2 4.05Å; F28-V42 HydrophobicContact CD1-CG2 4.25Å; F28-V42 HydrophobicContact CG-CG2 4.29Å; V42-R44 HydrophobicContact CG1-CG 4.1Å; V42-H77 HydrophobicContact CB-CB 4.4Å; V42-H77 HydrophobicContact CG1-CB 3.54Å; V42-H77 HydrophobicContact CG2-CB 3.89Å
43V95.5Very high94.5Very high36 Ų3667.7 Ų67.722%0.21835%0.352CS..BIsolated β-bridgetrans-91.5104.7173.31750000108.5D26 A27 P49 W51D26-V43 CarbonylContact C-O 3.56Å; A27-V43 PolarHBondContact N-O 3.23Å; A27-V43 PolarHBondContact O-N 3.34Å; V43-P49 HydrophobicContact CB-CB 3.71Å; V43-P49 HydrophobicContact CG1-CB 3.6Å; V43-P49 HydrophobicContact CG2-CB 4.31Å; V43-W51 HydrophobicContact CG2-CG 4.18Å
44R93.2Very high94.7Very high139 Ų13976 Ų7653%0.52539%0.391SS..  trans-74.2146.2-175.7-63.8-157.1157.385.40.1113.3D26 V42 S46 H77D26-R44 HydrophobicContact CB-CG 4.4Å; D26-R44 WeakPolarHBondContact OD1-CA 3.37Å; D26-R44 WeakPolarHBondContact OD1-CB 3.33Å; D26-R44 WeakPolarHBondContact OD2-CD 3.5Å; D26-R44 WeakPolarHBondContact OD2-CG 3.38Å; D26-R44 IonicContact OD2-NE 3.13Å; D26-R44 PolarHBondContact OD2-NE 3.26Å; V42-R44 HydrophobicContact CG1-CG 4.1Å; R44-S46 PolarHBondContact O-N 3.28Å; R44-H77 PolarHBondContact NH2-CD2 2.94Å; R44-H77 VanDerWaalsContact NH2-CD2 3.32Å; R44-H77 PolarHBondContact NH2-NE2 3.26Å
45R92.7Very high95.1Very high165 Ų16579.5 Ų79.562%0.62339%0.392SS*.SBendtrans50.751.3169-61.8-179.4-177.5-179.5-2.5113.8T22 L24 T25 D26T22-R45 HydrophobicContact CG2-CG 4.42Å; L24-R45 HydrophobicContact CB-CB 4.27Å; L24-R45 HydrophobicContact CD1-CB 3.83Å; T25-R45 WeakPolarHBondContact O-CA 3.41Å; T25-R45 PolarHBondContact O-N 3.44Å; T25-R45 VanDerWaalsContact O-N 3.11Å; D26-R45 PolarHBondContact OD1-N 2.98Å
46S95.1Very high95.6Very high32 Ų3275.7 Ų75.722%0.22436%0.361CS..  trans-144.6130.3175.2-172.40000113.3T25 R44 N48T25-S46 PolarHBondContact O-N 2.73Å; R44-S46 PolarHBondContact O-N 3.28Å; S46-N48 PolarHBondContact OG-N 3.15Å; S46-N48 PolarHBondContact OG-O 3.35Å; S46-N48 VanDerWaalsContact OG-O 3.12Å
47L95.3Very high95.7Very high44 Ų4475.7 Ų75.723%0.2337%0.365CS..SBendtrans-81.2-6.5167.2-53.2-175.7000112.6N14 L15 V17 L24 T25N14-L47 PolarHBondContact N-O 2.95Å; L15-L47 HydrophobicContact CB-CB 4.5Å; L15-L47 WeakPolarHBondContact CB-O 3.48Å; L15-L47 PolarHBondContact N-O 3.29Å; V17-L47 HydrophobicContact CG2-CD1 4.04Å; V17-L47 HydrophobicContact CG2-CD2 4.27Å; L24-L47 HydrophobicContact CD2-CD2 4.47Å; L24-L47 HydrophobicContact CD2-CG 3.99Å; T25-L47 WeakPolarHBondContact OG1-CD2 3.35Å
48N96.9Very high95.6Very high90 Ų9072.4 Ų72.448%0.48135%0.345SS..SBendtrans-132.563.7177.9-56.5-69.3000110A12 R13 N14 S46A12-N48 CarbonylContact O-C 3.51Å; A12-N48 VanDerWaalsContact O-C 3.29Å; A12-N48 WeakPolarHBondContact O-CA 3.45Å; R13-N48 WeakPolarHBondContact CA-OD1 3.24Å; R13-N48 WeakPolarHBondContact CB-OD1 3.14Å; N14-N48 PolarHBondContact N-OD1 2.78Å; S46-N48 PolarHBondContact OG-N 3.15Å; S46-N48 PolarHBondContact OG-O 3.35Å; S46-N48 VanDerWaalsContact OG-O 3.12Å
49P96.3Very high95.3Very high1 Ų173.8 Ų73.81%0.00636%0.355CS..  trans-69.6151.7-175.231.2-38.5000112.3S11 A12 L15 A27 V43 W51S11-P49 CarbonylContact C-O 3.45Å; S11-P49 WeakPolarHBondContact CA-O 3.43Å; S11-P49 WeakPolarHBondContact CB-O 3.2Å; A12-P49 HydrophobicContact CB-CG 3.89Å; A12-P49 PolarHBondContact N-O 3.49Å; L15-P49 HydrophobicContact CD1-CG 3.69Å; A27-P49 HydrophobicContact CB-CB 4.28Å; A27-P49 HydrophobicContact CB-CG 3.94Å; V43-P49 HydrophobicContact CB-CB 3.71Å; V43-P49 HydrophobicContact CG1-CB 3.6Å; V43-P49 HydrophobicContact CG2-CB 4.31Å; P49-W51 HydrophobicContact CB-CH2 3.92Å; P49-W51 HydrophobicContact CB-CZ2 3.84Å; P49-W51 HydrophobicContact CB-CZ3 4.34Å; P49-W51 HydrophobicContact CG-CH2 3.36Å; P49-W51 HydrophobicContact CG-CZ2 3.75Å; P49-W51 HydrophobicContact CG-CZ3 3.87Å
50S97Very high94.9Very high67 Ų6769.5 Ų69.547%0.46934%0.337SS..BIsolated β-bridgetrans-134.2110.1-177.7161.30000109.4N52S50-N52 PolarHBondContact OG-ND2 3.46Å
51W96.3Very high94.2Very high31 Ų3172.8 Ų72.812%0.11735%0.354CS..  trans-100-36.3-178.6-60.2-84.2000112.8V9 I10 A12 A27 V29 T40 E41 V43 P49 S53V9-W51 HydrophobicContact CG1-CD2 4.12Å; V9-W51 HydrophobicContact CG1-CE3 3.55Å; V9-W51 HydrophobicContact CG1-CZ3 4Å; I10-W51 PolarHBondContact O-N 2.89Å; A12-W51 HydrophobicContact CB-CH2 4Å; A12-W51 HydrophobicContact CB-CZ3 3.83Å; A27-W51 HydrophobicContact CB-CH2 4.44Å; A27-W51 HydrophobicContact CB-CZ2 3.98Å; V29-W51 HydrophobicContact CG2-CE3 4.46Å; V29-W51 HydrophobicContact CG2-CH2 3.56Å; V29-W51 HydrophobicContact CG2-CZ2 3.74Å; V29-W51 HydrophobicContact CG2-CZ3 3.95Å; T40-W51 HydrophobicContact CG2-CG 4.41Å; T40-W51 PolarHBondContact OG1-NE1 3.25Å; E41-W51 VanDerWaalsContact O-CD1 3.25Å; E41-W51 PolarHBondContact O-NE1 3.48Å; V43-W51 HydrophobicContact CG2-CG 4.18Å; P49-W51 HydrophobicContact CB-CH2 3.92Å; P49-W51 HydrophobicContact CB-CZ2 3.84Å; P49-W51 HydrophobicContact CB-CZ3 4.34Å; P49-W51 HydrophobicContact CG-CH2 3.36Å; P49-W51 HydrophobicContact CG-CZ2 3.75Å; P49-W51 HydrophobicContact CG-CZ3 3.87Å; W51-S53 PolarHBondContact O-N 2.95Å; W51-S53 VanDerWaalsContact O-N 3.12Å
52N95.4Very high93.5Very high85 Ų8566 Ų6646%0.45532%0.323SS..  trans46.636.8-175.4-66.1-58.2000114.5R8 V9 I10 S50R8-N52 PolarHBondContact NH2-O 2.87Å; V9-N52 PolarHBondContact O-N 3.25Å; I10-N52 PolarHBondContact O-N 2.95Å; S50-N52 PolarHBondContact OG-ND2 3.46Å
53S95.8Very high92.8Very high16 Ų1670 Ų7011%0.11233%0.334CS..  trans-53.1166.4-164.178.70000114.5R8 V9 W51 F56R8-S53 WeakPolarHBondContact CD-O 3.33Å; R8-S53 WeakPolarHBondContact CG-O 3.34Å; R8-S53 PolarHBondContact NE-O 2.88Å; V9-S53 PolarHBondContact N-OG 2.91Å; V9-S53 PolarHBondContact O-N 2.86Å; W51-S53 PolarHBondContact O-N 2.95Å; W51-S53 VanDerWaalsContact O-N 3.12Å; S53-F56 WeakPolarHBondContact OG-CE2 3.26Å
54E95.3Very high92.3Very high176 Ų17669.4 Ų69.482%0.82233%0.333SS*.  trans-69.4176.9160-60.4-160.3153.300111.5F56E54-F56 PolarHBondContact O-N 3.28Å
55W95.3Very high91.9Very high114 Ų11462.9 Ų62.943%0.43231%0.308SS..  trans-82.1103.9178.1-72.6100.1000111.1K6 V7 R8 C57 A125 R127K6-W55 HydrophobicContact CB-CD2 4.43Å; K6-W55 HydrophobicContact CB-CE3 3.7Å; K6-W55 HydrophobicContact CB-CZ3 4.2Å; V7-W55 CarbonylContact O-C 3.59Å; R8-W55 HydrophobicContact CB-CD2 4.02Å; R8-W55 HydrophobicContact CB-CE3 3.8Å; R8-W55 HydrophobicContact CB-CH2 4.24Å; R8-W55 HydrophobicContact CB-CZ2 4.42Å; R8-W55 HydrophobicContact CB-CZ3 3.93Å; W55-C57 PolarHBondContact O-N 2.78Å; W55-C57 PolarHBondContact O-SG 2.83Å; W55-A125 HydrophobicContact CH2-CB 3.92Å; W55-A125 HydrophobicContact CZ3-CB 4.43Å; W55-A125 WeakPolarHBondContact CZ3-O 3.34Å; W55-R127 HydrophobicContact CH2-CB 4.47Å; W55-R127 HydrophobicContact CZ3-CB 4.33Å
56F96.4Very high91.5Very high38 Ų3855.5 Ų55.517%0.16728%0.28CS..EExtended strand (participates in β ladder)trans-64.6123.2166.9-58.8-73.7000109.1K6 V7 V9 L31 Y38 T40 S53 E54 F58K6-F56 CarbonylContact C-O 3.41Å; K6-F56 WeakPolarHBondContact CA-O 3.11Å; V7-F56 PolarHBondContact N-O 3.43Å; V7-F56 PolarHBondContact O-N 2.87Å; V9-F56 HydrophobicContact CG2-CE2 4.26Å; L31-F56 HydrophobicContact CD1-CD2 3.91Å; L31-F56 HydrophobicContact CD1-CE2 3.85Å; L31-F56 HydrophobicContact CD1-CG 4.46Å; L31-F56 HydrophobicContact CD1-CZ 4.35Å; L31-F56 HydrophobicContact CD2-CD2 3.86Å; L31-F56 HydrophobicContact CD2-CE2 4.46Å; L31-F56 HydrophobicContact CD2-CG 4.47Å; Y38-F56 HydrophobicContact CD1-CD1 4.13Å; Y38-F56 HydrophobicContact CD2-CB 4.01Å; Y38-F56 HydrophobicContact CD2-CD1 4.34Å; Y38-F56 HydrophobicContact CG-CB 4.28Å; Y38-F56 AromaticContact CG-CD1 3.75Å; Y38-F56 HydrophobicContact CG-CD1 3.75Å; Y38-F56 HydrophobicContact CG-CG 4.34Å; T40-F56 HydrophobicContact CG2-CE2 4.13Å; T40-F56 HydrophobicContact CG2-CZ 4.21Å; S53-F56 WeakPolarHBondContact OG-CE2 3.26Å; E54-F56 PolarHBondContact O-N 3.28Å; F56-F58 HydrophobicContact CB-CE2 4.47Å
57C94.6Very high91Very high55 Ų5554.7 Ų54.737%0.37227%0.274SS..EExtended strand (participates in β ladder)trans-113.3119.1-174.1-64.70000110.5V5 Y38 W55V5-C57 WeakPolarHBondContact O-CA 3.46Å; Y38-C57 PolarHBondContact OH-O 2.87Å; W55-C57 PolarHBondContact O-N 2.78Å; W55-C57 PolarHBondContact O-SG 2.83Å
58F93.4Very high90.7Very high0 Ų054.8 Ų54.80%027%0.273CS..EExtended strand (participates in β ladder)trans-103.5127.3173.2-57.7-99.1000109.1T4 V5 V7 L31 I33 I36 Y38 F56 L70T4-F58 CarbonylContact C-O 3.59Å; T4-F58 VanDerWaalsContact CA-O 3.24Å; T4-F58 WeakPolarHBondContact CA-O 3.37Å; V5-F58 HydrophobicContact CB-CB 4.32Å; V5-F58 PolarHBondContact N-O 3.04Å; V5-F58 PolarHBondContact O-N 3.27Å; V7-F58 HydrophobicContact CG2-CD2 4.35Å; V7-F58 HydrophobicContact CG2-CE2 3.97Å; L31-F58 HydrophobicContact CB-CZ 3.95Å; I33-F58 HydrophobicContact CB-CD1 3.99Å; I33-F58 HydrophobicContact CB-CE1 4.19Å; I33-F58 HydrophobicContact CD1-CB 3.87Å; I33-F58 HydrophobicContact CD1-CD1 3.86Å; I33-F58 HydrophobicContact CD1-CD2 3.68Å; I33-F58 HydrophobicContact CD1-CE1 4.27Å; I33-F58 HydrophobicContact CD1-CE2 4.11Å; I33-F58 HydrophobicContact CD1-CG 3.55Å; I33-F58 HydrophobicContact CD1-CZ 4.37Å; I33-F58 HydrophobicContact CG1-CD1 3.74Å; I33-F58 HydrophobicContact CG1-CD2 4.21Å; I33-F58 HydrophobicContact CG1-CE1 3.77Å; I33-F58 HydrophobicContact CG1-CE2 4.24Å; I33-F58 HydrophobicContact CG1-CG 3.97Å; I33-F58 HydrophobicContact CG1-CZ 4.02Å; I36-F58 HydrophobicContact CB-CD1 3.84Å; I36-F58 HydrophobicContact CB-CE1 4.13Å; I36-F58 HydrophobicContact CG2-CD1 3.55Å; I36-F58 HydrophobicContact CG2-CE1 3.8Å; Y38-F58 HydrophobicContact CD2-CD1 4.25Å; Y38-F58 AromaticContact CD2-CE1 3.71Å; Y38-F58 HydrophobicContact CD2-CE1 3.71Å; Y38-F58 HydrophobicContact CD2-CE2 4.07Å; Y38-F58 AromaticContact CD2-CZ 3.62Å; Y38-F58 HydrophobicContact CD2-CZ 3.62Å; Y38-F58 HydrophobicContact CE2-CD1 4.04Å; Y38-F58 AromaticContact CE2-CE1 3.97Å; Y38-F58 HydrophobicContact CE2-CE1 3.97Å; Y38-F58 HydrophobicContact CE2-CE2 4.47Å; Y38-F58 HydrophobicContact CE2-CG 4.33Å; Y38-F58 HydrophobicContact CE2-CZ 4.2Å; F56-F58 HydrophobicContact CB-CE2 4.47Å; F58-L70 HydrophobicContact CE2-CD1 4.46Å
59E90.6Very high90.3Very high123 Ų12350.7 Ų50.758%0.57525%0.252SS*.EExtended strand (participates in β ladder)trans-96.9127.4171.4-55-163.5147.500109.3M1 T4M1-E59 WeakPolarHBondContact CE-OE2 3.48Å; T4-E59 HydrophobicContact CG2-CG 4.16Å
60L87.2Confident90.2Very high20 Ų2050.7 Ų50.711%0.10525%0.252CS..EExtended strand (participates in β ladder)trans-133.9152.8-172.7-59.7174.1000111.1G3 V5 I33 A64 L65G3-L60 PolarHBondContact N-O 2.97Å; G3-L60 PolarHBondContact O-N 3.03Å; G3-L60 VanDerWaalsContact O-N 3.09Å; V5-L60 HydrophobicContact CG2-CD1 3.74Å; I33-L60 HydrophobicContact CD1-CD1 4.16Å; I33-L60 HydrophobicContact CG2-CD1 3.99Å; I33-L60 HydrophobicContact CG2-CD2 4.18Å; L60-A64 HydrophobicContact CD2-CB 4.24Å; L60-L65 HydrophobicContact CB-CB 4.32Å; L60-L65 HydrophobicContact CD1-CD1 3.99Å
61D84.2Confident90Very high87 Ų8748.2 Ų48.247%0.46523%0.233SC..  trans-85.2171.2168.578.3-21.6000111.7P2 R63 A64 L65P2-D61 HydrophobicContact CG-CB 4.42Å; D61-R63 PolarHBondContact O-N 2.73Å; D61-R63 VanDerWaalsContact O-N 3.17Å; D61-R63 PolarHBondContact OD1-N 3.36Å; D61-A64 PolarHBondContact O-N 2.85Å; D61-A64 WeakPolarHBondContact OD1-CB 3.33Å; D61-A64 PolarHBondContact OD1-N 3.32Å; D61-L65 WeakPolarHBondContact O-CB 3.28Å; D61-L65 PolarHBondContact O-N 2.78Å
62D79.9Confident90Very high24 Ų2446.8 Ų46.813%0.12823%0.228CC..THydrogen-bonded Turntrans-56.2-32.8-179.5-90.4-44.8000111.9P2 Q66 S135 S140 L142P2-D62 HydrophobicContact CB-CB 4.25Å; P2-D62 HydrophobicContact CG-CB 4.4Å; D62-Q66 WeakPolarHBondContact O-CG 3.32Å; D62-S135 WeakPolarHBondContact OD2-CB 3.38Å; D62-S135 PolarHBondContact OD2-OG 3.44Å; D62-S140 PolarHBondContact OD1-OG 3.21Å; D62-L142 WeakPolarHBondContact OD1-CD1 3.47Å
63R83Confident90Very high127 Ų12744.3 Ų44.348%0.47921%0.213SC..THydrogen-bonded Turntrans-76.2-56.2-178.4-175.4-177.9178.9-1795.5111.5D61 L65 Q66 D67 E201D61-R63 PolarHBondContact O-N 2.73Å; D61-R63 VanDerWaalsContact O-N 3.17Å; D61-R63 PolarHBondContact OD1-N 3.36Å; R63-L65 PolarHBondContact O-N 3.26Å; R63-Q66 PolarHBondContact O-N 3.11Å; R63-D67 WeakPolarHBondContact CG-OD2 3.43Å; R63-D67 IonicContact CZ-OD2 2.71Å; R63-D67 IonicContact NE-OD2 2.73Å; R63-D67 PolarHBondContact NE-OD2 3.01Å; R63-D67 IonicContact NH2-OD2 2.69Å; R63-D67 WeakPolarHBondContact O-CB 3.22Å; R63-D67 PolarHBondContact O-N 2.85Å; R63-E201 IonicContact NH2-OE1 3.61Å; R63-E201 PolarHBondContact NH2-OE1 2.92Å
64A85Confident90Very high24 Ų2443.6 Ų43.620%0.19821%0.208CC..Hα-helixtrans-62.4-30.1-178.200000112L60 D61 Q66 E68L60-A64 HydrophobicContact CD2-CB 4.24Å; D61-A64 PolarHBondContact O-N 2.85Å; D61-A64 WeakPolarHBondContact OD1-CB 3.33Å; D61-A64 PolarHBondContact OD1-N 3.32Å; A64-Q66 PolarHBondContact O-N 2.86Å; A64-E68 WeakPolarHBondContact O-CB 3.13Å; A64-E68 PolarHBondContact O-N 3.03Å; A64-E68 VanDerWaalsContact O-N 3.11Å
65L84.4Confident90Very high1 Ų135.9 Ų35.91%0.00517%0.172CC..Hα-helixtrans-65.7-21.2175.2-171.363.5000113.8V5 L60 D61 R63 L93 L97 V128 V130V5-L65 HydrophobicContact CG2-CD1 3.71Å; L60-L65 HydrophobicContact CB-CB 4.32Å; L60-L65 HydrophobicContact CD1-CD1 3.99Å; D61-L65 WeakPolarHBondContact O-CB 3.28Å; D61-L65 PolarHBondContact O-N 2.78Å; R63-L65 PolarHBondContact O-N 3.26Å; L65-L93 HydrophobicContact CD1-CD1 4.18Å; L65-L97 HydrophobicContact CD1-CD2 4.06Å; L65-L97 HydrophobicContact CD2-CD2 3.73Å; L65-L97 HydrophobicContact CG-CD1 4.05Å; L65-L97 HydrophobicContact CG-CD2 3.73Å; L65-V128 HydrophobicContact CD1-CG1 4.04Å; L65-V130 HydrophobicContact CD2-CG1 4.21Å; L65-V130 HydrophobicContact CD2-CG2 4.14Å
66Q84.1Confident89.9Confident10 Ų1031 Ų315%0.04715%0.154CC..Hα-helixtrans-105.7-38.2176.1-60.8-165-86.100113.3D62 R63 A64 N94 L97 S141D62-Q66 WeakPolarHBondContact O-CG 3.32Å; R63-Q66 PolarHBondContact O-N 3.11Å; A64-Q66 PolarHBondContact O-N 2.86Å; Q66-N94 PolarHBondContact O-ND2 3.11Å; Q66-L97 HydrophobicContact CG-CD1 4.03Å; Q66-S141 PolarHBondContact NE2-OG 3.37Å; Q66-S141 VanDerWaalsContact OE1-N 3.11Å; Q66-S141 PolarHBondContact OE1-OG 3.37Å
67D85.4Confident89.7Confident15 Ų1531.2 Ų31.28%0.0816%0.156CC..Hα-helixtrans-84.5-31.2-173.2-73.3-2.5000113.6R63 R204R63-D67 WeakPolarHBondContact CG-OD2 3.43Å; R63-D67 IonicContact CZ-OD2 2.71Å; R63-D67 IonicContact NE-OD2 2.73Å; R63-D67 PolarHBondContact NE-OD2 3.01Å; R63-D67 IonicContact NH2-OD2 2.69Å; R63-D67 WeakPolarHBondContact O-CB 3.22Å; R63-D67 PolarHBondContact O-N 2.85Å; D67-R204 IonicContact OD1-CZ 3.68Å; D67-R204 IonicContact OD1-NE 3.43Å; D67-R204 PolarHBondContact OD1-NE 3.48Å; D67-R204 IonicContact OD1-NH2 2.73Å; D67-R204 PolarHBondContact OD1-NH2 2.87Å; D67-R204 IonicContact OD2-CZ 3.51Å; D67-R204 IonicContact OD2-NE 3.49Å; D67-R204 PolarHBondContact OD2-NE 2.98Å; D67-R204 IonicContact OD2-NH2 3.22Å; D67-R204 PolarHBondContact OD2-NH2 2.74Å
68E87.6Confident89.5Confident46 Ų4631.5 Ų31.522%0.21515%0.154CC..SBendtrans-105.1136.6-176.4-73.1-76.6177.300111.9I33 A64 R198I33-E68 HydrophobicContact CG2-CB 4.18Å; A64-E68 WeakPolarHBondContact O-CB 3.13Å; A64-E68 PolarHBondContact O-N 3.03Å; A64-E68 VanDerWaalsContact O-N 3.11Å; E68-R198 IonicContact OE1-CZ 3.27Å; E68-R198 IonicContact OE1-NE 3.44Å; E68-R198 PolarHBondContact OE1-NE 2.8Å; E68-R198 VanDerWaalsContact OE1-NE 3.13Å; E68-R198 IonicContact OE1-NH2 2.78Å; E68-R198 PolarHBondContact OE1-NH2 2.96Å; E68-R198 IonicContact OE2-NE 3.14Å; E68-R198 IonicContact OE2-NH2 2.7Å
69A89.3Confident89.1Confident5 Ų535.6 Ų35.64%0.04118%0.179CC..  trans-89.1148.6178.800000112L71A69-L71 PolarHBondContact O-N 2.96Å
70L93Very high88.7Confident0 Ų040.4 Ų40.40%019%0.193CC..EExtended strand (participates in β ladder)trans-80.4115.6168.7163.563.6000109.4V5 V7 I33 F58 L72 F91 L93 I126V5-L70 HydrophobicContact CG1-CD2 4.49Å; V7-L70 HydrophobicContact CG2-CD1 4.21Å; V7-L70 HydrophobicContact CG2-CD2 3.62Å; I33-L70 HydrophobicContact CD1-CB 4.14Å; I33-L70 HydrophobicContact CD1-CD1 4.06Å; I33-L70 HydrophobicContact CG1-CB 4.06Å; I33-L70 HydrophobicContact CG1-CD1 3.72Å; I33-L70 HydrophobicContact CG1-CG 4.47Å; F58-L70 HydrophobicContact CE2-CD1 4.46Å; L70-L72 HydrophobicContact CD1-CD1 3.84Å; L70-L72 HydrophobicContact CD2-CD1 4.18Å; L70-L72 HydrophobicContact CG-CD1 3.8Å; L70-F91 HydrophobicContact CB-CB 4.06Å; L70-F91 HydrophobicContact CD2-CB 4.32Å; L70-F91 HydrophobicContact CD2-CD2 4.4Å; L70-F91 HydrophobicContact CG-CB 4.28Å; L70-F91 HydrophobicContact CG-CD2 4.31Å; L70-F91 PolarHBondContact N-O 3.16Å; L70-F91 VanDerWaalsContact N-O 3.12Å; L70-F91 PolarHBondContact O-N 3.32Å; L70-L93 HydrophobicContact CB-CD2 4.22Å; L70-L93 HydrophobicContact CD2-CD2 4.49Å; L70-I126 HydrophobicContact CD2-CD1 3.66Å; L70-I126 HydrophobicContact CD2-CG1 4.06Å; L70-I126 HydrophobicContact CD2-CG2 4.28Å
71L93.6Very high88.7Confident16 Ų1642.8 Ų42.88%0.08421%0.211CC..EExtended strand (participates in β ladder)trans-109.7120.3-179.8169.757000109.9C32 A69 K73 R88 Y90C32-L71 HydrophobicContact CB-CB 4.35Å; C32-L71 PolarHBondContact N-O 3Å; C32-L71 PolarHBondContact O-N 3.06Å; A69-L71 PolarHBondContact O-N 2.96Å; L71-K73 HydrophobicContact CD1-CG 4.36Å; L71-K73 HydrophobicContact CD2-CG 4.49Å; L71-K73 HydrophobicContact CG-CG 4.22Å; L71-R88 HydrophobicContact CD1-CB 3.97Å; L71-R88 HydrophobicContact CD1-CG 4.4Å; L71-Y90 HydrophobicContact CB-CD1 4.4Å; L71-Y90 HydrophobicContact CB-CE1 4.43Å; L71-Y90 HydrophobicContact CD1-CD1 3.96Å; L71-Y90 HydrophobicContact CD1-CD2 4.25Å; L71-Y90 HydrophobicContact CD1-CE1 3.72Å; L71-Y90 HydrophobicContact CD1-CE2 4.01Å; L71-Y90 HydrophobicContact CD1-CG 4.22Å; L71-Y90 HydrophobicContact CD2-CE1 4.06Å; L71-Y90 HydrophobicContact CG-CE1 4.29Å
72L95.7Very high88.7Confident1 Ų142.9 Ų42.91%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-102.8133.5165.5-70.490.2000109.8V7 V9 V29 E30 L31 L70 R88 V89 F91 L124V7-L72 HydrophobicContact CG1-CD2 4.46Å; V9-L72 HydrophobicContact CG2-CD2 4.28Å; V29-L72 HydrophobicContact CG1-CB 4.23Å; V29-L72 HydrophobicContact CG1-CD2 3.93Å; V29-L72 HydrophobicContact CG1-CG 4.49Å; E30-L72 CarbonylContact O-C 3.55Å; E30-L72 VanDerWaalsContact O-CA 3.3Å; E30-L72 WeakPolarHBondContact O-CA 3.26Å; L31-L72 HydrophobicContact CB-CG 4.49Å; L31-L72 HydrophobicContact CD2-CD2 3.74Å; L31-L72 HydrophobicContact CD2-CG 4.19Å; L31-L72 HydrophobicContact CG-CD2 3.86Å; L31-L72 HydrophobicContact CG-CG 4.03Å; L70-L72 HydrophobicContact CD1-CD1 3.84Å; L70-L72 HydrophobicContact CD2-CD1 4.18Å; L70-L72 HydrophobicContact CG-CD1 3.8Å; L72-R88 CarbonylContact O-C 3.56Å; L72-R88 VanDerWaalsContact O-CA 3.25Å; L72-R88 WeakPolarHBondContact O-CA 3.26Å; L72-V89 PolarHBondContact N-O 3.2Å; L72-V89 PolarHBondContact O-N 3.03Å; L72-F91 HydrophobicContact CD1-CD2 3.78Å; L72-F91 HydrophobicContact CD1-CE2 3.77Å; L72-L124 HydrophobicContact CD1-CD1 4.22Å; L72-L124 HydrophobicContact CD2-CD1 3.78Å; L72-L124 HydrophobicContact CD2-CD2 3.69Å; L72-L124 HydrophobicContact CD2-CG 4.42Å
73K95.2Very high89.1Confident33 Ų3345.3 Ų45.314%0.14324%0.235CC..EExtended strand (participates in β ladder)trans-114.6129.9172.4-51.2-179.3-163.5151.40109.2V29 E30 L71 M75 R88V29-K73 CarbonylContact C-O 3.57Å; V29-K73 VanDerWaalsContact CA-O 3.31Å; V29-K73 WeakPolarHBondContact CA-O 3.4Å; E30-K73 HydrophobicContact CB-CB 4.33Å; E30-K73 PolarHBondContact N-O 3.09Å; E30-K73 PolarHBondContact O-N 3.4Å; E30-K73 IonicContact OE2-NZ 2.89Å; E30-K73 PolarHBondContact OE2-NZ 2.87Å; L71-K73 HydrophobicContact CD1-CG 4.36Å; L71-K73 HydrophobicContact CD2-CG 4.49Å; L71-K73 HydrophobicContact CG-CG 4.22Å; K73-M75 HydrophobicContact CB-CG 4.38Å; K73-M75 HydrophobicContact CB-SD 4.18Å; K73-R88 HydrophobicContact CB-CG 4.49Å; K73-R88 HydrophobicContact CG-CG 4.19Å
74V96.6Very high89.3Confident0 Ų043.1 Ų43.10%023%0.233CC..EExtended strand (participates in β ladder)trans-97.1126.9172.4-1660000107.8V29 I86 G87 I111 I122V29-V74 HydrophobicContact CG2-CG1 4.48Å; V29-V74 HydrophobicContact CG2-CG2 4.46Å; V74-I86 HydrophobicContact CB-CB 4.36Å; V74-I86 HydrophobicContact CG1-CB 4.44Å; V74-I86 HydrophobicContact CG1-CD1 4.18Å; V74-I86 WeakPolarHBondContact O-CB 3.45Å; V74-I86 PolarHBondContact O-N 2.89Å; V74-G87 PolarHBondContact N-O 3.17Å; V74-G87 PolarHBondContact O-N 2.88Å; V74-I111 HydrophobicContact CB-CG2 4.3Å; V74-I111 HydrophobicContact CG2-CD1 3.95Å; V74-I111 HydrophobicContact CG2-CG1 4.06Å; V74-I111 HydrophobicContact CG2-CG2 4.05Å; V74-I122 HydrophobicContact CG2-CD1 4.05Å
75M95.2Very high89.6Confident14 Ų1443.3 Ų43.37%0.06923%0.231CC..EExtended strand (participates in β ladder)trans-128.4148-166.1-61.8-62-58.300110.5A27 F28 E30 K73 H83 D84 T85A27-M75 WeakPolarHBondContact CA-O 3.13Å; F28-M75 HydrophobicContact CD1-CB 3.75Å; F28-M75 HydrophobicContact CD2-CB 4.23Å; F28-M75 HydrophobicContact CE1-CB 3.31Å; F28-M75 HydrophobicContact CE1-CG 4.3Å; F28-M75 HydrophobicContact CE2-CB 3.81Å; F28-M75 HydrophobicContact CE2-CG 3.99Å; F28-M75 HydrophobicContact CG-CB 4.2Å; F28-M75 HydrophobicContact CZ-CB 3.33Å; F28-M75 HydrophobicContact CZ-CG 3.81Å; F28-M75 PolarHBondContact N-O 2.85Å; F28-M75 PolarHBondContact O-N 3.13Å; E30-M75 HydrophobicContact CG-CG 4.07Å; K73-M75 HydrophobicContact CB-CG 4.38Å; K73-M75 HydrophobicContact CB-SD 4.18Å; M75-H83 HydrophobicContact CE-CB 3.84Å; M75-H83 VanDerWaalsContact CE-O 3.22Å; M75-H83 WeakPolarHBondContact CE-O 3.4Å; M75-D84 WeakPolarHBondContact CA-O 3.48Å; M75-T85 HydrophobicContact CE-CG2 3.95Å; M75-T85 HydrophobicContact SD-CG2 3.45Å; M75-T85 WeakPolarHBondContact SD-CG2 3.22Å
76D94.3Very high90.1Very high11 Ų1143.2 Ų43.26%0.05923%0.231CC..EExtended strand (participates in β ladder)trans-100.2127.5171.3-165.336.7000110.6M18 T25 D26 D78 H83 D84 I86M18-D76 HydrophobicContact CB-CB 4.16Å; M18-D76 WeakPolarHBondContact CB-OD2 3.5Å; M18-D76 HydrophobicContact CG-CB 4.18Å; T25-D76 HydrophobicContact CG2-CB 4.36Å; T25-D76 VanDerWaalsContact CG2-OD1 3.23Å; T25-D76 WeakPolarHBondContact CG2-OD1 3.43Å; D26-D76 WeakPolarHBondContact CA-OD1 3.36Å; D26-D76 PolarHBondContact N-OD1 3.38Å; D76-D78 PolarHBondContact O-N 3.49Å; D76-D78 VanDerWaalsContact O-N 3.13Å; D76-H83 CarbonylContact O-C 3.59Å; D76-H83 VanDerWaalsContact O-CA 3.29Å; D76-H83 WeakPolarHBondContact O-CA 3.45Å; D76-H83 VanDerWaalsContact O-CB 3.28Å; D76-H83 WeakPolarHBondContact O-CB 3.4Å; D76-D84 HydrophobicContact CB-CB 4.32Å; D76-D84 PolarHBondContact N-O 3.01Å; D76-D84 PolarHBondContact O-N 3.07Å; D76-D84 VanDerWaalsContact O-N 3.15Å; D76-I86 HydrophobicContact CB-CD1 4.15Å; D76-I86 HydrophobicContact CB-CG1 4.24Å
77H92.2Very high90.5Very high43 Ų4342.8 Ų42.820%0.19923%0.229CC..  trans-87.882.3-171.9179.668.8000112.9D26 F28 V42 R44 H83D26-H77 HydrophobicContact CB-CB 4.25Å; D26-H77 VanDerWaalsContact O-CB 3.29Å; D26-H77 WeakPolarHBondContact O-CB 3.38Å; D26-H77 PolarHBondContact O-N 2.86Å; F28-H77 HydrophobicContact CD1-CB 3.8Å; F28-H77 HydrophobicContact CE1-CB 3.93Å; V42-H77 HydrophobicContact CB-CB 4.4Å; V42-H77 HydrophobicContact CG1-CB 3.54Å; V42-H77 HydrophobicContact CG2-CB 3.89Å; R44-H77 PolarHBondContact NH2-CD2 2.94Å; R44-H77 VanDerWaalsContact NH2-CD2 3.32Å; R44-H77 PolarHBondContact NH2-NE2 3.26Å; H77-H83 AromaticContact CE1-CE1 3.6Å; H77-H83 AromaticContact ND1-CE1 3.2Å; H77-H83 PolarHBondContact ND1-CE1 2.65Å; H77-H83 AromaticContact ND1-ND1 3.76Å; H77-H83 AromaticContact ND1-NE2 3.55Å
78D90.5Very high90.9Very high61 Ų6142.4 Ų42.433%0.32623%0.227SC..  trans-64.7137.2166.7-109.2-19.8000112.3D76 S81 H83D76-D78 PolarHBondContact O-N 3.49Å; D76-D78 VanDerWaalsContact O-N 3.13Å; D78-S81 WeakPolarHBondContact OD2-CB 3.45Å; D78-S81 PolarHBondContact OD2-OG 3.15Å; D78-H83 PolarHBondContact N-ND1 3.26Å; D78-H83 PolarHBondContact O-CE1 2.79Å; D78-H83 PolarHBondContact O-ND1 3.31Å; D78-H83 VanDerWaalsContact O-ND1 3.1Å
79T84.6Confident91.2Very high87 Ų8740.5 Ų40.553%0.53422%0.218SC..SBendtrans-90-27.6-179.8-59.20000113.1
80Y82.3Confident91.3Very high224 Ų22441.4 Ų41.488%0.87822%0.22SC*.SBendtrans-123.21.7-174.9-58.8-72.4000113.8
81S86.2Confident91.1Very high69 Ų6941.5 Ų41.548%0.48322%0.221SC..SBendtrans-133.1172.5-179.360000110.1D78D78-S81 WeakPolarHBondContact OD2-CB 3.45Å; D78-S81 PolarHBondContact OD2-OG 3.15Å
82A84.6Confident90.7Very high90 Ų9041.3 Ų41.374%0.74422%0.22SC*.PPolyproline II helixtrans-69.1137.4171.100000110.3D84A82-D84 PolarHBondContact O-N 2.65Å
83H87.5Confident90.3Very high74 Ų7441.3 Ų41.334%0.34322%0.22SC..PPolyproline II helixtrans-59.8130.2-177.8-55.8-27.1000112.2F28 M75 D76 H77 D78F28-H83 HydrophobicContact CE1-CB 4.14Å; F28-H83 AromaticContact CE1-CD2 3.91Å; F28-H83 HydrophobicContact CZ-CB 4.16Å; F28-H83 AromaticContact CZ-CD2 3.58Å; M75-H83 HydrophobicContact CE-CB 3.84Å; M75-H83 VanDerWaalsContact CE-O 3.22Å; M75-H83 WeakPolarHBondContact CE-O 3.4Å; D76-H83 CarbonylContact O-C 3.59Å; D76-H83 VanDerWaalsContact O-CA 3.29Å; D76-H83 WeakPolarHBondContact O-CA 3.45Å; D76-H83 VanDerWaalsContact O-CB 3.28Å; D76-H83 WeakPolarHBondContact O-CB 3.4Å; H77-H83 AromaticContact CE1-CE1 3.6Å; H77-H83 AromaticContact ND1-CE1 3.2Å; H77-H83 PolarHBondContact ND1-CE1 2.65Å; H77-H83 AromaticContact ND1-ND1 3.76Å; H77-H83 AromaticContact ND1-NE2 3.55Å; D78-H83 PolarHBondContact N-ND1 3.26Å; D78-H83 PolarHBondContact O-CE1 2.79Å; D78-H83 PolarHBondContact O-ND1 3.31Å; D78-H83 VanDerWaalsContact O-ND1 3.1Å
84D88.8Confident89.9Confident82 Ų8240.7 Ų40.744%0.43922%0.218SC..EExtended strand (participates in β ladder)trans-86.5142.8-170-139.9-5.7000111.6M18 M75 D76 A82 I86M18-D84 HydrophobicContact CE-CB 3.9Å; M75-D84 WeakPolarHBondContact CA-O 3.48Å; D76-D84 HydrophobicContact CB-CB 4.32Å; D76-D84 PolarHBondContact N-O 3.01Å; D76-D84 PolarHBondContact O-N 3.07Å; D76-D84 VanDerWaalsContact O-N 3.15Å; A82-D84 PolarHBondContact O-N 2.65Å; D84-I86 PolarHBondContact O-N 3.44Å
85T91Very high89.2Confident27 Ų2741 Ų4117%0.16622%0.22CC..EExtended strand (participates in β ladder)trans-86.3113.9-17615.10000110.7M75 R186M75-T85 HydrophobicContact CE-CG2 3.95Å; M75-T85 HydrophobicContact SD-CG2 3.45Å; M75-T85 WeakPolarHBondContact SD-CG2 3.22Å; T85-R186 PolarHBondContact O-NH1 2.94Å; T85-R186 PolarHBondContact O-NH2 2.8Å; T85-R186 VanDerWaalsContact O-NH2 3.16Å; T85-R186 PolarHBondContact OG1-NH1 3.01Å
86I94Very high88.7Confident0 Ų040.5 Ų40.50%022%0.218CC..EExtended strand (participates in β ladder)trans-78-46.7177.1-60.1176.5000110P16 M18 T25 V74 D76 D84 R119P16-I86 HydrophobicContact CG-CG2 3.68Å; M18-I86 HydrophobicContact CE-CG1 4.29Å; M18-I86 HydrophobicContact CG-CD1 4.2Å; M18-I86 HydrophobicContact CG-CG1 3.98Å; M18-I86 HydrophobicContact SD-CG1 4.13Å; T25-I86 HydrophobicContact CG2-CD1 3.52Å; V74-I86 HydrophobicContact CB-CB 4.36Å; V74-I86 HydrophobicContact CG1-CB 4.44Å; V74-I86 HydrophobicContact CG1-CD1 4.18Å; V74-I86 WeakPolarHBondContact O-CB 3.45Å; V74-I86 PolarHBondContact O-N 2.89Å; D76-I86 HydrophobicContact CB-CD1 4.15Å; D76-I86 HydrophobicContact CB-CG1 4.24Å; D84-I86 PolarHBondContact O-N 3.44Å; I86-R119 HydrophobicContact CG2-CB 4.28Å
87G93.8Very high88Confident0 Ų040.5 Ų40.50%022%0.218CC..EExtended strand (participates in β ladder)trans168.7-172.7177.100000111.8V74 Y112V74-G87 PolarHBondContact N-O 3.17Å; V74-G87 PolarHBondContact O-N 2.88Å; G87-Y112 CarbonylContact C-O 3.55Å; G87-Y112 WeakPolarHBondContact CA-O 3.28Å
88R93.2Very high87Confident8 Ų839.2 Ų39.23%0.0321%0.213CC..EExtended strand (participates in β ladder)trans-140.9159.6-170.3-55.7178.4-168.873.7-5.5111.4L71 L72 K73 Y90 Y112 E190L71-R88 HydrophobicContact CD1-CB 3.97Å; L71-R88 HydrophobicContact CD1-CG 4.4Å; L72-R88 CarbonylContact O-C 3.56Å; L72-R88 VanDerWaalsContact O-CA 3.25Å; L72-R88 WeakPolarHBondContact O-CA 3.26Å; K73-R88 HydrophobicContact CB-CG 4.49Å; K73-R88 HydrophobicContact CG-CG 4.19Å; R88-Y90 HydrophobicContact CB-CE2 4.29Å; R88-Y112 PolarHBondContact N-O 2.97Å; R88-Y112 PolarHBondContact O-N 3.19Å; R88-E190 VanDerWaalsContact CZ-CD 3.46Å; R88-E190 IonicContact CZ-OE1 3.87Å; R88-E190 IonicContact CZ-OE2 3.57Å; R88-E190 IonicContact NE-OE1 2.82Å; R88-E190 PolarHBondContact NE-OE1 3.25Å; R88-E190 IonicContact NE-OE2 3.74Å; R88-E190 IonicContact NH2-OE1 2.77Å; R88-E190 IonicContact NH2-OE2 3.88Å; R88-E190 PolarHBondContact NH2-OE2 3.43Å
89V93.7Very high85.7Confident6 Ų642.9 Ų42.94%0.03622%0.223CC..EExtended strand (participates in β ladder)trans-134.7132.1167.5-168.10000108.6L72 F91 F109 I122L72-V89 PolarHBondContact N-O 3.2Å; L72-V89 PolarHBondContact O-N 3.03Å; V89-F91 HydrophobicContact CB-CE2 3.88Å; V89-F91 HydrophobicContact CB-CZ 4.4Å; V89-F91 HydrophobicContact CG1-CD2 4.17Å; V89-F91 HydrophobicContact CG1-CE1 4.37Å; V89-F91 HydrophobicContact CG1-CE2 3.36Å; V89-F91 HydrophobicContact CG1-CZ 3.49Å; V89-F91 VanDerWaalsContact CG1-CZ 3.49Å; V89-F109 HydrophobicContact CG1-CB 4.07Å; V89-F109 HydrophobicContact CG2-CB 4.44Å; V89-I122 HydrophobicContact CG2-CG2 3.86Å
90Y90.9Very high84.7Confident23 Ų2342.9 Ų42.99%0.0924%0.24CC..EExtended strand (participates in β ladder)trans-108132.3177.4-69.3-95.4000109.5L71 R88 Q193 F1188 H1221L71-Y90 HydrophobicContact CB-CD1 4.4Å; L71-Y90 HydrophobicContact CB-CE1 4.43Å; L71-Y90 HydrophobicContact CD1-CD1 3.96Å; L71-Y90 HydrophobicContact CD1-CD2 4.25Å; L71-Y90 HydrophobicContact CD1-CE1 3.72Å; L71-Y90 HydrophobicContact CD1-CE2 4.01Å; L71-Y90 HydrophobicContact CD1-CG 4.22Å; L71-Y90 HydrophobicContact CD2-CE1 4.06Å; L71-Y90 HydrophobicContact CG-CE1 4.29Å; R88-Y90 HydrophobicContact CB-CE2 4.29Å; Y90-Q193 HydrophobicContact CD2-CG 4.3Å; Y90-Q193 HydrophobicContact CE1-CG 4.36Å; Y90-Q193 HydrophobicContact CE2-CG 3.47Å; Y90-Q193 VanDerWaalsContact CE2-CG 3.47Å; Y90-Q193 WeakPolarHBondContact OH-CG 3.45Å; Y90-F1188 WeakPolarHBondContact O-CE1 3.29Å; Y90-F1188 WeakPolarHBondContact O-CZ 3.33Å; Y90-H1221 PolarHBondContact O-CE1 3.45Å; Y90-H1221 PolarHBondContact O-NE2 3.25Å
91F90.1Very high83.9Confident2 Ų234 Ų341%0.00921%0.207CC..EExtended strand (participates in β ladder)trans-115.4124.7176.4-69.6-83.8000110.2L70 L72 V89 L105 F109 L124 I126 H1221L70-F91 HydrophobicContact CB-CB 4.06Å; L70-F91 HydrophobicContact CD2-CB 4.32Å; L70-F91 HydrophobicContact CD2-CD2 4.4Å; L70-F91 HydrophobicContact CG-CB 4.28Å; L70-F91 HydrophobicContact CG-CD2 4.31Å; L70-F91 PolarHBondContact N-O 3.16Å; L70-F91 VanDerWaalsContact N-O 3.12Å; L70-F91 PolarHBondContact O-N 3.32Å; L72-F91 HydrophobicContact CD1-CD2 3.78Å; L72-F91 HydrophobicContact CD1-CE2 3.77Å; V89-F91 HydrophobicContact CB-CE2 3.88Å; V89-F91 HydrophobicContact CB-CZ 4.4Å; V89-F91 HydrophobicContact CG1-CD2 4.17Å; V89-F91 HydrophobicContact CG1-CE1 4.37Å; V89-F91 HydrophobicContact CG1-CE2 3.36Å; V89-F91 HydrophobicContact CG1-CZ 3.49Å; V89-F91 VanDerWaalsContact CG1-CZ 3.49Å; F91-L105 HydrophobicContact CD1-CD1 4.11Å; F91-L105 HydrophobicContact CD1-CD2 3.81Å; F91-L105 HydrophobicContact CE1-CD1 4.28Å; F91-L105 HydrophobicContact CE1-CD2 3.57Å; F91-L105 HydrophobicContact CZ-CD2 4.46Å; F91-F109 AromaticContact CE1-CD1 3.7Å; F91-F109 HydrophobicContact CE1-CD1 3.7Å; F91-F109 HydrophobicContact CE1-CD2 4.31Å; F91-F109 AromaticContact CE1-CE1 3.53Å; F91-F109 HydrophobicContact CE1-CE1 3.53Å; F91-F109 HydrophobicContact CE1-CE2 4.16Å; F91-F109 HydrophobicContact CE1-CG 4.09Å; F91-F109 AromaticContact CE1-CZ 3.77Å; F91-F109 HydrophobicContact CE1-CZ 3.77Å; F91-F109 HydrophobicContact CZ-CB 4.35Å; F91-F109 AromaticContact CZ-CD1 3.76Å; F91-F109 HydrophobicContact CZ-CD1 3.76Å; F91-F109 AromaticContact CZ-CD2 3.84Å; F91-F109 HydrophobicContact CZ-CD2 3.84Å; F91-F109 AromaticContact CZ-CE1 3.99Å; F91-F109 HydrophobicContact CZ-CE1 3.99Å; F91-F109 HydrophobicContact CZ-CE2 4.06Å; F91-F109 AromaticContact CZ-CG 3.68Å; F91-F109 HydrophobicContact CZ-CG 3.68Å; F91-F109 HydrophobicContact CZ-CZ 4.13Å; F91-L124 HydrophobicContact CE2-CD1 3.68Å; F91-L124 HydrophobicContact CZ-CD1 3.72Å; F91-I126 HydrophobicContact CD1-CD1 3.92Å; F91-I126 HydrophobicContact CD2-CD1 3.93Å; F91-I126 HydrophobicContact CE1-CD1 4.03Å; F91-I126 HydrophobicContact CE2-CD1 4.01Å; F91-I126 HydrophobicContact CG-CD1 3.88Å; F91-I126 HydrophobicContact CZ-CD1 4.07Å; F91-H1221 AromaticContact CD1-CE1 3.47Å; F91-H1221 VanDerWaalsContact CD1-CE1 3.47Å; F91-H1221 WeakPolarHBondContact CD1-CE1 3.24Å; F91-H1221 AromaticContact CD1-ND1 3.8Å; F91-H1221 AromaticContact CE1-CE1 3.41Å; F91-H1221 VanDerWaalsContact CE1-CE1 3.41Å; F91-H1221 WeakPolarHBondContact CE1-CE1 3.32Å; F91-H1221 AromaticContact CE1-ND1 3.82Å
92D84.9Confident83.1Confident12 Ų1234.6 Ų34.66%0.06421%0.207CC..  trans-75.6134.4159-160.2-22.8000108.9N94 R200 F1188D92-N94 VanDerWaalsContact OD1-CB 3.32Å; D92-N94 WeakPolarHBondContact OD1-CB 3.45Å; D92-N94 PolarHBondContact OD1-N 3.44Å; D92-N94 PolarHBondContact OD1-ND2 3.21Å; D92-R200 IonicContact OD1-NH1 2.65Å; D92-R200 IonicContact OD2-CZ 2.65Å; D92-R200 IonicContact OD2-NE 3.76Å; D92-R200 IonicContact OD2-NH1 3.07Å; D92-R200 PolarHBondContact OD2-NH1 3.39Å; D92-F1188 HydrophobicContact CB-CE2 4.19Å
93L87.4Confident82.9Confident2 Ų233.9 Ų33.91%0.0119%0.185CC..  trans-92.1-24.8176.1-60.3177.5000111.6V5 L65 L70 P95 L96 L97 V128V5-L93 HydrophobicContact CG1-CD2 4.27Å; V5-L93 HydrophobicContact CG2-CD1 3.81Å; L65-L93 HydrophobicContact CD1-CD1 4.18Å; L70-L93 HydrophobicContact CB-CD2 4.22Å; L70-L93 HydrophobicContact CD2-CD2 4.49Å; L93-P95 VanDerWaalsContact C-CD 3.44Å; L93-P95 VanDerWaalsContact C-N 3.34Å; L93-L96 WeakPolarHBondContact O-CA 3.19Å; L93-L96 WeakPolarHBondContact O-CB 3.5Å; L93-L96 PolarHBondContact O-N 3.45Å; L93-L97 WeakPolarHBondContact O-CG 3.31Å; L93-L97 PolarHBondContact O-N 3.04Å; L93-V128 HydrophobicContact CD2-CG2 4.36Å
94N85.2Confident82.9Confident20 Ų2032.8 Ų32.811%0.10719%0.185CC..G310 helixtrans-52-38.3-174.6-71.3-74.1000114.8Q66 D92 L96 L97Q66-N94 PolarHBondContact O-ND2 3.11Å; D92-N94 VanDerWaalsContact OD1-CB 3.32Å; D92-N94 WeakPolarHBondContact OD1-CB 3.45Å; D92-N94 PolarHBondContact OD1-N 3.44Å; D92-N94 PolarHBondContact OD1-ND2 3.21Å; N94-L96 PolarHBondContact O-N 3.3Å; N94-L97 WeakPolarHBondContact O-CB 3.1Å; N94-L97 PolarHBondContact O-N 3.48Å
95P83Confident82.9Confident6 Ų629.1 Ų29.14%0.03917%0.166CC..G310 helixtrans-51.7-51.1169.2-3037.7000112.8L93 L97 S98 Q101 L1183 L1225 M1259L93-P95 VanDerWaalsContact C-CD 3.44Å; L93-P95 VanDerWaalsContact C-N 3.34Å; P95-L97 PolarHBondContact O-N 3.39Å; P95-L97 VanDerWaalsContact O-N 3.08Å; P95-S98 WeakPolarHBondContact O-CB 3.41Å; P95-S98 PolarHBondContact O-N 2.88Å; P95-S98 VanDerWaalsContact O-N 3.16Å; P95-Q101 PolarHBondContact O-OE1 2.88Å; P95-L1183 WeakPolarHBondContact CB-O 3.37Å; P95-L1225 HydrophobicContact CB-CD1 3.91Å; P95-L1225 HydrophobicContact CB-CD2 4.46Å; P95-L1225 HydrophobicContact CG-CD1 4.48Å; P95-M1259 HydrophobicContact CB-CE 4.09Å; P95-M1259 HydrophobicContact CG-CE 3.62Å
96L83.9Confident82.9Confident3 Ų332.2 Ų32.22%0.01618%0.182CC..G310 helixtrans-67.5-11.7-177.6-59.4176.9000114.1L93 N94 T102 L105 I126 V128 L1225L93-L96 WeakPolarHBondContact O-CA 3.19Å; L93-L96 WeakPolarHBondContact O-CB 3.5Å; L93-L96 PolarHBondContact O-N 3.45Å; N94-L96 PolarHBondContact O-N 3.3Å; L96-T102 WeakPolarHBondContact CD2-O 3.42Å; L96-L105 HydrophobicContact CD1-CB 4.08Å; L96-L105 HydrophobicContact CD2-CB 4.14Å; L96-I126 HydrophobicContact CD1-CG2 4.11Å; L96-V128 HydrophobicContact CB-CB 4.4Å; L96-V128 HydrophobicContact CB-CG2 3.95Å; L96-V128 HydrophobicContact CD1-CG2 3.76Å; L96-L1225 HydrophobicContact CD2-CD2 3.45Å; L96-L1225 VanDerWaalsContact CD2-CD2 3.45Å; L96-L1225 HydrophobicContact CG-CD2 4.2Å
97L79.6Confident82.8Confident11 Ų1133.3 Ų33.36%0.05819%0.193CC..G310 helixtrans-86.3-13.7178.3-52.9-179.7000113.1L65 Q66 L93 N94 P95 R99 V128 V130 L142L65-L97 HydrophobicContact CD1-CD2 4.06Å; L65-L97 HydrophobicContact CD2-CD2 3.73Å; L65-L97 HydrophobicContact CG-CD1 4.05Å; L65-L97 HydrophobicContact CG-CD2 3.73Å; Q66-L97 HydrophobicContact CG-CD1 4.03Å; L93-L97 WeakPolarHBondContact O-CG 3.31Å; L93-L97 PolarHBondContact O-N 3.04Å; N94-L97 WeakPolarHBondContact O-CB 3.1Å; N94-L97 PolarHBondContact O-N 3.48Å; P95-L97 PolarHBondContact O-N 3.39Å; P95-L97 VanDerWaalsContact O-N 3.08Å; L97-R99 PolarHBondContact O-N 3.1Å; L97-V128 HydrophobicContact CD2-CG1 3.94Å; L97-V130 HydrophobicContact CD2-CG2 3.86Å; L97-L142 HydrophobicContact CB-CD2 3.55Å; L97-L142 HydrophobicContact CD1-CD2 3.7Å; L97-L142 HydrophobicContact CD2-CD2 4.44Å; L97-L142 HydrophobicContact CG-CD2 4.06Å
98S71.3Confident82.8Confident16 Ų1637.4 Ų37.411%0.11221%0.208CC..SBendtrans-67.6128.2-175.2-83.90000113.4P95 G100 Q101P95-S98 WeakPolarHBondContact O-CB 3.41Å; P95-S98 PolarHBondContact O-N 2.88Å; P95-S98 VanDerWaalsContact O-N 3.16Å; S98-G100 PolarHBondContact O-N 3.16Å; S98-G100 VanDerWaalsContact O-N 3.16Å; S98-Q101 VanDerWaalsContact CB-CD 3.42Å; S98-Q101 VanDerWaalsContact CB-OE1 3.29Å; S98-Q101 PolarHBondContact O-N 3.08Å
99R64.8Low83Confident139 Ų13937 Ų3753%0.52521%0.207SC..THydrogen-bonded Turntrans-60.3119.1176.9-66.6-172.5-177.8-146.1-1.3110.9L97 L132 R145L97-R99 PolarHBondContact O-N 3.1Å; R99-L132 HydrophobicContact CG-CD1 4.15Å; R99-R145 PolarHBondContact O-NH2 2.98Å
100G61.9Low83.1Confident87 Ų8737.2 Ų37.290%0.89721%0.208SC*.THydrogen-bonded Turntrans100.82.6175.300000115.9S98S98-G100 PolarHBondContact O-N 3.16Å; S98-G100 VanDerWaalsContact O-N 3.16Å
101Q66.2Low83.3Confident37 Ų3736.1 Ų36.117%0.17320%0.204CC..SBendtrans-102.7169.2177.8-69.2171.57.500112.9P95 S98 R103 Y1182 L1183P95-Q101 PolarHBondContact O-OE1 2.88Å; S98-Q101 VanDerWaalsContact CB-CD 3.42Å; S98-Q101 VanDerWaalsContact CB-OE1 3.29Å; S98-Q101 PolarHBondContact O-N 3.08Å; Q101-R103 PolarHBondContact O-N 3.43Å; Q101-Y1182 PolarHBondContact NE2-O 3.18Å; Q101-L1183 VanDerWaalsContact NE2-C 3.33Å; Q101-L1183 VanDerWaalsContact NE2-CA 3.34Å; Q101-L1183 PolarHBondContact OE1-O 3.22Å; Q101-L1183 VanDerWaalsContact OE1-O 3.05Å
102T68.6Low83.5Confident81 Ų8136.9 Ų36.950%0.49721%0.207SC..  trans-66109.2170.538.90000110.5L96 C104L96-T102 WeakPolarHBondContact CD2-O 3.42Å; T102-C104 PolarHBondContact O-N 3.43Å
103R81.9Confident83.8Confident75 Ų7536.3 Ų36.328%0.28320%0.204SC..SBendtrans-76.927.5175.3-49.9-165.4-170.7178.32.7113.9Q101 R127 V128 V130Q101-R103 PolarHBondContact O-N 3.43Å; R103-R127 CarbonylContact O-C 3.54Å; R103-R127 VanDerWaalsContact O-CA 3.29Å; R103-R127 WeakPolarHBondContact O-CA 3.27Å; R103-V128 WeakPolarHBondContact CB-O 3.15Å; R103-V128 WeakPolarHBondContact CD-O 3.44Å; R103-V128 PolarHBondContact O-N 3.12Å; R103-V130 PolarHBondContact NH1-O 3.12Å
104C87Confident83.9Confident51 Ų5136.5 Ų36.535%0.34521%0.205SC..EExtended strand (participates in β ladder)trans-133.4140.9179.6-60.30000109.1T102 I126T102-C104 PolarHBondContact O-N 3.43Å; C104-I126 CarbonylContact C-O 3.56Å; C104-I126 VanDerWaalsContact CA-O 3.22Å; C104-I126 WeakPolarHBondContact CA-O 3.39Å
105L88.2Confident83.9Confident6 Ų637.3 Ų37.33%0.03121%0.208CC..EExtended strand (participates in β ladder)trans-130.1120.3177.3164.7146.3000107.1F91 L96 F109 I126 S1224 L1225F91-L105 HydrophobicContact CD1-CD1 4.11Å; F91-L105 HydrophobicContact CD1-CD2 3.81Å; F91-L105 HydrophobicContact CE1-CD1 4.28Å; F91-L105 HydrophobicContact CE1-CD2 3.57Å; F91-L105 HydrophobicContact CZ-CD2 4.46Å; L96-L105 HydrophobicContact CD1-CB 4.08Å; L96-L105 HydrophobicContact CD2-CB 4.14Å; L105-F109 HydrophobicContact CD2-CE1 4.2Å; L105-F109 HydrophobicContact CD2-CE2 4.11Å; L105-F109 HydrophobicContact CD2-CZ 3.47Å; L105-F109 VanDerWaalsContact CD2-CZ 3.47Å; L105-F109 HydrophobicContact CG-CZ 3.98Å; L105-I126 HydrophobicContact CB-CB 4.42Å; L105-I126 HydrophobicContact CD2-CB 3.91Å; L105-I126 HydrophobicContact CD2-CD1 3.57Å; L105-I126 HydrophobicContact CD2-CG1 4.16Å; L105-I126 PolarHBondContact N-O 2.95Å; L105-I126 PolarHBondContact O-N 2.82Å; L105-S1224 WeakPolarHBondContact CA-O 3.38Å; L105-S1224 VanDerWaalsContact CD1-OG 3.29Å; L105-S1224 WeakPolarHBondContact CD1-OG 3.47Å; L105-S1224 WeakPolarHBondContact CG-OG 3.44Å; L105-L1225 HydrophobicContact CB-CD2 4.11Å; L105-L1225 HydrophobicContact CD1-CD2 3.84Å; L105-L1225 HydrophobicContact CD1-CG 4.08Å; L105-L1225 HydrophobicContact CG-CD2 4.47Å
106N90.9Very high84.2Confident92 Ų9241.9 Ų41.949%0.49223%0.229SC..EExtended strand (participates in β ladder)trans-137.3132-173.4-62-33.8000109.4L124 A125 S1224N106-L124 WeakPolarHBondContact CA-O 3.46Å; N106-A125 VanDerWaalsContact OD1-CA 3.29Å; N106-A125 WeakPolarHBondContact OD1-CA 3.46Å; N106-A125 WeakPolarHBondContact OD1-CB 3.31Å; N106-S1224 PolarHBondContact N-O 3.5Å; N106-S1224 WeakPolarHBondContact O-CA 3.32Å
107G93Very high84.6Confident23 Ų2341.8 Ų41.824%0.23723%0.229CC..EExtended strand (participates in β ladder)trans165.9-173.117800000115.2F109 C123 L124G107-F109 WeakPolarHBondContact O-CD2 3.49Å; G107-F109 VanDerWaalsContact O-CE2 3.25Å; G107-F109 WeakPolarHBondContact O-CE2 3.39Å; G107-C123 WeakPolarHBondContact O-CA 3.29Å; G107-L124 PolarHBondContact N-O 2.97Å; G107-L124 VanDerWaalsContact N-O 3.1Å; G107-L124 PolarHBondContact O-N 3.16Å
108W94.3Very high85.3Confident86 Ų8643.3 Ų43.333%0.32624%0.237SC..EExtended strand (participates in β ladder)trans-94.2132.6168.2-70.993.1000109.5S11 R13 E121 I122 C123S11-W108 WeakPolarHBondContact OG-CH2 3.17Å; R13-W108 HydrophobicContact CB-CH2 4.04Å; R13-W108 HydrophobicContact CB-CZ3 3.84Å; R13-W108 HydrophobicContact CG-CE3 3.9Å; R13-W108 HydrophobicContact CG-CH2 3.93Å; R13-W108 HydrophobicContact CG-CZ3 3.45Å; R13-W108 VanDerWaalsContact CG-CZ3 3.45Å; W108-E121 HydrophobicContact CE3-CB 3.91Å; W108-I122 CarbonylContact C-O 3.15Å; W108-I122 WeakPolarHBondContact CA-O 3.42Å; W108-C123 HydrophobicContact CD2-CB 3.82Å; W108-C123 HydrophobicContact CE3-CB 3.73Å; W108-C123 HydrophobicContact CH2-CB 3.73Å; W108-C123 HydrophobicContact CZ2-CB 3.81Å; W108-C123 HydrophobicContact CZ3-CB 3.68Å
109F95.4Very high86.4Confident0 Ų045 Ų450%024%0.241CC..EExtended strand (participates in β ladder)trans-123.3127.9-177.6-60-80.9000110.4V89 F91 L105 G107 I111 E121 I122 L124 A1220 S1224V89-F109 HydrophobicContact CG1-CB 4.07Å; V89-F109 HydrophobicContact CG2-CB 4.44Å; F91-F109 AromaticContact CE1-CD1 3.7Å; F91-F109 HydrophobicContact CE1-CD1 3.7Å; F91-F109 HydrophobicContact CE1-CD2 4.31Å; F91-F109 AromaticContact CE1-CE1 3.53Å; F91-F109 HydrophobicContact CE1-CE1 3.53Å; F91-F109 HydrophobicContact CE1-CE2 4.16Å; F91-F109 HydrophobicContact CE1-CG 4.09Å; F91-F109 AromaticContact CE1-CZ 3.77Å; F91-F109 HydrophobicContact CE1-CZ 3.77Å; F91-F109 HydrophobicContact CZ-CB 4.35Å; F91-F109 AromaticContact CZ-CD1 3.76Å; F91-F109 HydrophobicContact CZ-CD1 3.76Å; F91-F109 AromaticContact CZ-CD2 3.84Å; F91-F109 HydrophobicContact CZ-CD2 3.84Å; F91-F109 AromaticContact CZ-CE1 3.99Å; F91-F109 HydrophobicContact CZ-CE1 3.99Å; F91-F109 HydrophobicContact CZ-CE2 4.06Å; F91-F109 AromaticContact CZ-CG 3.68Å; F91-F109 HydrophobicContact CZ-CG 3.68Å; F91-F109 HydrophobicContact CZ-CZ 4.13Å; L105-F109 HydrophobicContact CD2-CE1 4.2Å; L105-F109 HydrophobicContact CD2-CE2 4.11Å; L105-F109 HydrophobicContact CD2-CZ 3.47Å; L105-F109 VanDerWaalsContact CD2-CZ 3.47Å; L105-F109 HydrophobicContact CG-CZ 3.98Å; G107-F109 WeakPolarHBondContact O-CD2 3.49Å; G107-F109 VanDerWaalsContact O-CE2 3.25Å; G107-F109 WeakPolarHBondContact O-CE2 3.39Å; F109-I111 PolarHBondContact O-N 3.12Å; F109-E121 CarbonylContact O-C 3.6Å; F109-E121 WeakPolarHBondContact O-CA 3.08Å; F109-I122 HydrophobicContact CB-CG2 4.1Å; F109-I122 PolarHBondContact N-O 2.95Å; F109-I122 PolarHBondContact O-N 3.17Å; F109-L124 HydrophobicContact CD2-CB 4.07Å; F109-L124 HydrophobicContact CD2-CD1 4Å; F109-L124 HydrophobicContact CD2-CG 4.18Å; F109-L124 HydrophobicContact CE2-CB 3.94Å; F109-L124 HydrophobicContact CE2-CD1 4.48Å; F109-A1220 HydrophobicContact CD1-CB 4.49Å; F109-S1224 VanDerWaalsContact CE1-CB 3.45Å; F109-S1224 VanDerWaalsContact CE1-OG 3.24Å; F109-S1224 WeakPolarHBondContact CE1-OG 3.45Å; F109-S1224 WeakPolarHBondContact CZ-OG 3.48Å
110P96.1Very high87.9Confident9 Ų938.7 Ų38.76%0.05822%0.218CC..EExtended strand (participates in β ladder)trans-60.4126.2174-21.532.3000111Y112 I118 V1217 A1220P110-Y112 PolarHBondContact O-N 3.01Å; P110-I118 HydrophobicContact CB-CD1 3.91Å; P110-I118 HydrophobicContact CB-CG1 3.94Å; P110-I118 HydrophobicContact CB-CG2 3.94Å; P110-I118 HydrophobicContact CG-CD1 4.47Å; P110-V1217 HydrophobicContact CB-CG2 4.02Å; P110-V1217 HydrophobicContact CG-CG2 4.3Å; P110-A1220 VanDerWaalsContact CD-CB 3.49Å; P110-A1220 HydrophobicContact CG-CB 4.27Å
111I96.2Very high89.5Confident0 Ų036.1 Ų36.10%018%0.183CC..EExtended strand (participates in β ladder)trans-78.1117.8175.7-61.6162.5000107A12 L15 V74 F109 I118 R119 G120 I122A12-I111 HydrophobicContact CB-CD1 4.44Å; L15-I111 HydrophobicContact CD2-CD1 3.38Å; V74-I111 HydrophobicContact CB-CG2 4.3Å; V74-I111 HydrophobicContact CG2-CD1 3.95Å; V74-I111 HydrophobicContact CG2-CG1 4.06Å; V74-I111 HydrophobicContact CG2-CG2 4.05Å; F109-I111 PolarHBondContact O-N 3.12Å; I111-I118 CarbonylContact O-C 3.52Å; I111-I118 WeakPolarHBondContact O-CA 3.48Å; I111-R119 HydrophobicContact CG2-CB 4.37Å; I111-R119 PolarHBondContact O-N 2.79Å; I111-G120 PolarHBondContact N-O 3.45Å; I111-I122 HydrophobicContact CD1-CB 4.09Å; I111-I122 HydrophobicContact CG1-CB 4Å; I111-I122 HydrophobicContact CG1-CG2 4Å
112Y93.6Very high91Very high19 Ų1934.4 Ų34.48%0.07518%0.175CC..EExtended strand (participates in β ladder)trans-106.8133.3-171.8-171.5-100.2000112.7G87 R88 P110 F1190 R1192 E1213 V1217G87-Y112 CarbonylContact C-O 3.55Å; G87-Y112 WeakPolarHBondContact CA-O 3.28Å; R88-Y112 PolarHBondContact N-O 2.97Å; R88-Y112 PolarHBondContact O-N 3.19Å; P110-Y112 PolarHBondContact O-N 3.01Å; Y112-F1190 HydrophobicContact CD1-CD1 4.41Å; Y112-F1190 HydrophobicContact CE1-CD1 4.04Å; Y112-F1190 HydrophobicContact CE2-CD1 4.42Å; Y112-R1192 VanDerWaalsContact OH-CD 3.26Å; Y112-R1192 WeakPolarHBondContact OH-CD 3.36Å; Y112-E1213 HydrophobicContact CE2-CB 4.23Å; Y112-E1213 WeakPolarHBondContact CE2-OE2 3.19Å; Y112-V1217 HydrophobicContact CD2-CG2 4.47Å
113D91.4Very high92.3Very high0 Ų031.4 Ų31.40%016%0.157CC..EExtended strand (participates in β ladder)trans-124.4138.2169.7175.650.2000110.8M115 H116 G117 R119 R186D113-M115 VanDerWaalsContact C-N 3.26Å; D113-M115 PolarHBondContact O-N 2.8Å; D113-M115 WeakPolarHBondContact OD2-CB 3.4Å; D113-M115 PolarHBondContact OD2-N 2.85Å; D113-H116 PolarHBondContact O-N 3.38Å; D113-H116 IonicContact OD2-CE1 2.66Å; D113-H116 IonicContact OD2-CG 2.74Å; D113-H116 PolarHBondContact OD2-N 2.73Å; D113-H116 VanDerWaalsContact OD2-N 3.15Å; D113-H116 IonicContact OD2-ND1 2.68Å; D113-H116 PolarHBondContact OD2-ND1 2.74Å; D113-G117 PolarHBondContact N-O 2.74Å; D113-G117 WeakPolarHBondContact O-CA 3.49Å; D113-G117 PolarHBondContact O-N 2.87Å; D113-R119 HydrophobicContact CB-CG 4.04Å; D113-R186 IonicContact OD1-CZ 2.75Å; D113-R186 IonicContact OD1-NE 3.71Å; D113-R186 PolarHBondContact OD1-NE 3.15Å; D113-R186 IonicContact OD1-NH2 3.94Å; D113-R186 PolarHBondContact OD1-NH2 2.93Å; D113-R186 IonicContact OD2-CZ 2.68Å; D113-R186 IonicContact OD2-NE 3.57Å; D113-R186 IonicContact OD2-NH2 3.63Å; D113-R186 PolarHBondContact OD2-NH2 3.45Å
114T88.9Confident93Very high6 Ų627.9 Ų27.94%0.03714%0.144CC..THydrogen-bonded Turntrans-63.8-34.2-175.168.50000111.7N189 V1191 R1192 E1193T114-N189 HydrophobicContact CG2-CB 3.94Å; T114-N189 PolarHBondContact OG1-ND2 2.81Å; T114-V1191 VanDerWaalsContact CB-O 3.29Å; T114-V1191 WeakPolarHBondContact CB-O 3.28Å; T114-V1191 HydrophobicContact CG2-CB 4.49Å; T114-V1191 VanDerWaalsContact CG2-O 3.32Å; T114-V1191 WeakPolarHBondContact CG2-O 3.35Å; T114-R1192 WeakPolarHBondContact O-CD 3.46Å; T114-R1192 PolarHBondContact O-NH1 2.9Å; T114-E1193 PolarHBondContact O-N 2.85Å; T114-E1193 VanDerWaalsContact O-O 3.12Å
115M86.1Confident93.4Very high36 Ų3626 Ų2618%0.17713%0.132CC..THydrogen-bonded Turntrans-83-39.2-178.8-55-55.1-53.100113.4D113 R1192 E1193 T1195D113-M115 VanDerWaalsContact C-N 3.26Å; D113-M115 PolarHBondContact O-N 2.8Å; D113-M115 WeakPolarHBondContact OD2-CB 3.4Å; D113-M115 PolarHBondContact OD2-N 2.85Å; M115-R1192 PolarHBondContact O-NH1 3.17Å; M115-E1193 WeakPolarHBondContact CA-O 3.34Å; M115-E1193 HydrophobicContact CE-CB 4.07Å; M115-E1193 HydrophobicContact CE-CG 3.78Å; M115-E1193 HydrophobicContact SD-CB 3.8Å; M115-E1193 VanDerWaalsContact SD-CD 3.59Å; M115-E1193 HydrophobicContact SD-CG 4Å; M115-E1193 VanDerWaalsContact SD-OE2 3.39Å; M115-T1195 HydrophobicContact CE-CG2 4.09Å
116H89.8Confident93.7Very high103 Ų10325.8 Ų25.848%0.47713%0.131SC..THydrogen-bonded Turntrans-111.2-8.8-170.4-58.591.4000115.2D113 R119 R1192D113-H116 PolarHBondContact O-N 3.38Å; D113-H116 IonicContact OD2-CE1 2.66Å; D113-H116 IonicContact OD2-CG 2.74Å; D113-H116 PolarHBondContact OD2-N 2.73Å; D113-H116 VanDerWaalsContact OD2-N 3.15Å; D113-H116 IonicContact OD2-ND1 2.68Å; D113-H116 PolarHBondContact OD2-ND1 2.74Å; H116-R119 HydrophobicContact CB-CG 4.2Å; H116-R1192 VanDerWaalsContact C-NH2 3.31Å; H116-R1192 PolarHBondContact O-NH2 2.85Å
117G91.3Very high93.7Very high0 Ų026.8 Ų26.80%013%0.128CC..EExtended strand (participates in β ladder)trans80.6-136.8-177.200000112.3D113 R1192 E1213D113-G117 PolarHBondContact N-O 2.74Å; D113-G117 WeakPolarHBondContact O-CA 3.49Å; D113-G117 PolarHBondContact O-N 2.87Å; G117-R1192 VanDerWaalsContact N-CZ 3.3Å; G117-E1213 VanDerWaalsContact CA-CD 3.46Å; G117-E1213 WeakPolarHBondContact CA-OE1 3.48Å; G117-E1213 VanDerWaalsContact CA-OE2 3.24Å; G117-E1213 WeakPolarHBondContact CA-OE2 3.28Å
118I94.1Very high93.6Very high44 Ų4425.7 Ų25.723%0.22612%0.116CC..EExtended strand (participates in β ladder)trans-74.2131.6178.6-66170.6000110.9P110 I111 E1213 A1216P110-I118 HydrophobicContact CB-CD1 3.91Å; P110-I118 HydrophobicContact CB-CG1 3.94Å; P110-I118 HydrophobicContact CB-CG2 3.94Å; P110-I118 HydrophobicContact CG-CD1 4.47Å; I111-I118 CarbonylContact O-C 3.52Å; I111-I118 WeakPolarHBondContact O-CA 3.48Å; I118-E1213 HydrophobicContact CD1-CB 4.16Å; I118-E1213 HydrophobicContact CD1-CG 4.27Å; I118-E1213 HydrophobicContact CG1-CB 4.28Å; I118-E1213 HydrophobicContact CG1-CG 4.24Å; I118-A1216 HydrophobicContact CD1-CB 3.96Å
119R95Very high93.2Very high52 Ų5222.9 Ų22.920%0.19611%0.108CC..EExtended strand (participates in β ladder)trans-127.647.8-171-64.7-72-86.4-179.34.8111.8P16 I86 I111 D113 H116P16-R119 VanDerWaalsContact CB-CZ 3.45Å; P16-R119 WeakPolarHBondContact CD-O 3.47Å; P16-R119 HydrophobicContact CG-CB 4.42Å; I86-R119 HydrophobicContact CG2-CB 4.28Å; I111-R119 HydrophobicContact CG2-CB 4.37Å; I111-R119 PolarHBondContact O-N 2.79Å; D113-R119 HydrophobicContact CB-CG 4.04Å; H116-R119 HydrophobicContact CB-CG 4.2Å
120G95.3Very high92.3Very high6 Ų623.6 Ų23.66%0.06211%0.112CC..EExtended strand (participates in β ladder)trans89.6-168.1-172.300000112.3R13 N14 I111R13-G120 WeakPolarHBondContact O-CA 3.39Å; N14-G120 WeakPolarHBondContact O-CA 3.45Å; I111-G120 PolarHBondContact N-O 3.45Å
121E96.5Very high91.2Very high33 Ų3328.8 Ų28.815%0.15413%0.134CC..EExtended strand (participates in β ladder)trans-135.6145.7-177-61.8168.411700111.2A12 R13 W108 F109A12-E121 CarbonylContact C-O 3.48Å; A12-E121 WeakPolarHBondContact CA-O 3.14Å; A12-E121 WeakPolarHBondContact CB-O 3.3Å; R13-E121 HydrophobicContact CG-CB 4.24Å; R13-E121 IonicContact CZ-OE2 2.75Å; R13-E121 PolarHBondContact N-O 3.25Å; R13-E121 IonicContact NE-OE2 3.96Å; R13-E121 PolarHBondContact NE-OE2 3.44Å; R13-E121 IonicContact NH2-OE1 3.77Å; R13-E121 PolarHBondContact NH2-OE1 2.95Å; R13-E121 IonicContact NH2-OE2 3.1Å; R13-E121 PolarHBondContact NH2-OE2 3.36Å; R13-E121 PolarHBondContact O-N 2.9Å; W108-E121 HydrophobicContact CE3-CB 3.91Å; F109-E121 CarbonylContact O-C 3.6Å; F109-E121 WeakPolarHBondContact O-CA 3.08Å
122I97.2Very high89.5Confident0 Ų031 Ų310%015%0.146CC..EExtended strand (participates in β ladder)trans-114.1133177-169.5169.7000111V9 A12 V29 V74 V89 W108 F109 I111 L124V9-I122 HydrophobicContact CG1-CD1 4.16Å; A12-I122 HydrophobicContact CB-CB 4.39Å; A12-I122 HydrophobicContact CB-CG1 4.37Å; V29-I122 HydrophobicContact CG1-CD1 4.15Å; V29-I122 HydrophobicContact CG2-CD1 3.86Å; V74-I122 HydrophobicContact CG2-CD1 4.05Å; V89-I122 HydrophobicContact CG2-CG2 3.86Å; W108-I122 CarbonylContact C-O 3.15Å; W108-I122 WeakPolarHBondContact CA-O 3.42Å; F109-I122 HydrophobicContact CB-CG2 4.1Å; F109-I122 PolarHBondContact N-O 2.95Å; F109-I122 PolarHBondContact O-N 3.17Å; I111-I122 HydrophobicContact CD1-CB 4.09Å; I111-I122 HydrophobicContact CG1-CB 4Å; I111-I122 HydrophobicContact CG1-CG2 4Å; I122-L124 HydrophobicContact CD1-CD2 3.82Å; I122-L124 HydrophobicContact CD1-CG 4.39Å; I122-L124 HydrophobicContact CG1-CD2 3.83Å; I122-L124 HydrophobicContact CG1-CG 4.05Å; I122-L124 HydrophobicContact CG2-CD1 3.99Å; I122-L124 HydrophobicContact CG2-CG 4.15Å
123C96.8Very high87.5Confident19 Ų1938.1 Ų38.113%0.12819%0.185CC..EExtended strand (participates in β ladder)trans-93.1118176.4-170.60000109.9I10 S11 G107 W108I10-C123 HydrophobicContact CB-CB 4.17Å; I10-C123 WeakPolarHBondContact CB-O 3.45Å; I10-C123 PolarHBondContact N-O 3.11Å; S11-C123 PolarHBondContact O-N 2.8Å; G107-C123 WeakPolarHBondContact O-CA 3.29Å; W108-C123 HydrophobicContact CD2-CB 3.82Å; W108-C123 HydrophobicContact CE3-CB 3.73Å; W108-C123 HydrophobicContact CH2-CB 3.73Å; W108-C123 HydrophobicContact CZ2-CB 3.81Å; W108-C123 HydrophobicContact CZ3-CB 3.68Å
124L96.1Very high85.5Confident1 Ų141.1 Ų41.11%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-130.9153.3-173.6-59.6174.1000111.6V9 L72 F91 N106 G107 F109 I122V9-L124 HydrophobicContact CB-CD2 4.26Å; V9-L124 HydrophobicContact CG1-CD2 4.11Å; V9-L124 HydrophobicContact CG2-CD2 4.05Å; L72-L124 HydrophobicContact CD1-CD1 4.22Å; L72-L124 HydrophobicContact CD2-CD1 3.78Å; L72-L124 HydrophobicContact CD2-CD2 3.69Å; L72-L124 HydrophobicContact CD2-CG 4.42Å; F91-L124 HydrophobicContact CE2-CD1 3.68Å; F91-L124 HydrophobicContact CZ-CD1 3.72Å; N106-L124 WeakPolarHBondContact CA-O 3.46Å; G107-L124 PolarHBondContact N-O 2.97Å; G107-L124 VanDerWaalsContact N-O 3.1Å; G107-L124 PolarHBondContact O-N 3.16Å; F109-L124 HydrophobicContact CD2-CB 4.07Å; F109-L124 HydrophobicContact CD2-CD1 4Å; F109-L124 HydrophobicContact CD2-CG 4.18Å; F109-L124 HydrophobicContact CE2-CB 3.94Å; F109-L124 HydrophobicContact CE2-CD1 4.48Å; I122-L124 HydrophobicContact CD1-CD2 3.82Å; I122-L124 HydrophobicContact CD1-CG 4.39Å; I122-L124 HydrophobicContact CG1-CD2 3.83Å; I122-L124 HydrophobicContact CG1-CG 4.05Å; I122-L124 HydrophobicContact CG2-CD1 3.99Å; I122-L124 HydrophobicContact CG2-CG 4.15Å
125A95Very high83.7Confident11 Ų1143.2 Ų43.29%0.09122%0.224CC..EExtended strand (participates in β ladder)trans-126.7125.2162.800000109.4R8 I10 W55 N106R8-A125 HydrophobicContact CB-CB 4.29Å; R8-A125 PolarHBondContact N-O 3.2Å; R8-A125 PolarHBondContact O-N 3.17Å; I10-A125 HydrophobicContact CD1-CB 4.3Å; W55-A125 HydrophobicContact CH2-CB 3.92Å; W55-A125 HydrophobicContact CZ3-CB 4.43Å; W55-A125 WeakPolarHBondContact CZ3-O 3.34Å; N106-A125 VanDerWaalsContact OD1-CA 3.29Å; N106-A125 WeakPolarHBondContact OD1-CA 3.46Å; N106-A125 WeakPolarHBondContact OD1-CB 3.31Å
126I94.6Very high81.9Confident1 Ų152.4 Ų52.41%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-124.2138.1-178.3-69.5161.4000108K6 V7 L70 F91 L96 C104 L105K6-I126 CarbonylContact O-C 3.48Å; K6-I126 WeakPolarHBondContact O-CA 3.34Å; V7-I126 HydrophobicContact CB-CG1 4.38Å; V7-I126 HydrophobicContact CG1-CD1 4.46Å; V7-I126 HydrophobicContact CG1-CG1 3.77Å; V7-I126 HydrophobicContact CG2-CG1 4.18Å; L70-I126 HydrophobicContact CD2-CD1 3.66Å; L70-I126 HydrophobicContact CD2-CG1 4.06Å; L70-I126 HydrophobicContact CD2-CG2 4.28Å; F91-I126 HydrophobicContact CD1-CD1 3.92Å; F91-I126 HydrophobicContact CD2-CD1 3.93Å; F91-I126 HydrophobicContact CE1-CD1 4.03Å; F91-I126 HydrophobicContact CE2-CD1 4.01Å; F91-I126 HydrophobicContact CG-CD1 3.88Å; F91-I126 HydrophobicContact CZ-CD1 4.07Å; L96-I126 HydrophobicContact CD1-CG2 4.11Å; C104-I126 CarbonylContact C-O 3.56Å; C104-I126 VanDerWaalsContact CA-O 3.22Å; C104-I126 WeakPolarHBondContact CA-O 3.39Å; L105-I126 HydrophobicContact CB-CB 4.42Å; L105-I126 HydrophobicContact CD2-CB 3.91Å; L105-I126 HydrophobicContact CD2-CD1 3.57Å; L105-I126 HydrophobicContact CD2-CG1 4.16Å; L105-I126 PolarHBondContact N-O 2.95Å; L105-I126 PolarHBondContact O-N 2.82Å
127R91.5Very high79.9Confident113 Ų11356.4 Ų56.443%0.42627%0.269SS..EExtended strand (participates in β ladder)trans-138.7142.2177.4171.2175.7169.6163.10.6110.7K6 W55 R103 D129K6-R127 HydrophobicContact CB-CB 4.44Å; K6-R127 PolarHBondContact N-O 2.93Å; K6-R127 PolarHBondContact O-N 2.86Å; W55-R127 HydrophobicContact CH2-CB 4.47Å; W55-R127 HydrophobicContact CZ3-CB 4.33Å; R103-R127 CarbonylContact O-C 3.54Å; R103-R127 VanDerWaalsContact O-CA 3.29Å; R103-R127 WeakPolarHBondContact O-CA 3.27Å; R127-D129 IonicContact CZ-OD1 3.62Å; R127-D129 VanDerWaalsContact CZ-OD1 3.22Å; R127-D129 IonicContact CZ-OD2 2.99Å; R127-D129 IonicContact NE-OD1 3.12Å; R127-D129 PolarHBondContact NE-OD1 3Å; R127-D129 IonicContact NE-OD2 2.8Å; R127-D129 PolarHBondContact NE-OD2 3.04Å; R127-D129 IonicContact NH2-OD1 3.23Å; R127-D129 PolarHBondContact NH2-OD1 2.89Å; R127-D129 IonicContact NH2-OD2 3.69Å
128V89.6Confident78.2Confident0 Ų064.3 Ų64.30%031%0.306CS..EExtended strand (participates in β ladder)trans-123.6111.5176.9-167.30000111.1V5 L65 L93 L96 L97 R103 V130V5-V128 HydrophobicContact CG1-CG2 4.42Å; V5-V128 HydrophobicContact CG2-CG1 4.16Å; V5-V128 HydrophobicContact CG2-CG2 4.29Å; L65-V128 HydrophobicContact CD1-CG1 4.04Å; L93-V128 HydrophobicContact CD2-CG2 4.36Å; L96-V128 HydrophobicContact CB-CB 4.4Å; L96-V128 HydrophobicContact CB-CG2 3.95Å; L96-V128 HydrophobicContact CD1-CG2 3.76Å; L97-V128 HydrophobicContact CD2-CG1 3.94Å; R103-V128 WeakPolarHBondContact CB-O 3.15Å; R103-V128 WeakPolarHBondContact CD-O 3.44Å; R103-V128 PolarHBondContact O-N 3.12Å; V128-V130 HydrophobicContact CG1-CG2 3.59Å
129D86Confident76.7Confident28 Ų2869.1 Ų69.115%0.1533%0.328CS..EExtended strand (participates in β ladder)trans-94.9118.8172.4-64.7-46.9000108.8G3 T4 K6 R127G3-D129 CarbonylContact C-O 3.58Å; G3-D129 WeakPolarHBondContact CA-O 3.29Å; T4-D129 PolarHBondContact N-O 2.89Å; T4-D129 PolarHBondContact O-N 3.31Å; K6-D129 IonicContact NZ-OD2 2.98Å; K6-D129 PolarHBondContact NZ-OD2 2.66Å; R127-D129 IonicContact CZ-OD1 3.62Å; R127-D129 VanDerWaalsContact CZ-OD1 3.22Å; R127-D129 IonicContact CZ-OD2 2.99Å; R127-D129 IonicContact NE-OD1 3.12Å; R127-D129 PolarHBondContact NE-OD1 3Å; R127-D129 IonicContact NE-OD2 2.8Å; R127-D129 PolarHBondContact NE-OD2 3.04Å; R127-D129 IonicContact NH2-OD1 3.23Å; R127-D129 PolarHBondContact NH2-OD1 2.89Å; R127-D129 IonicContact NH2-OD2 3.69Å
130V77.1Confident75.5Confident14 Ų1467.5 Ų67.59%0.08532%0.324CS..EExtended strand (participates in β ladder)trans-127.2128.3-173.5-166.80000109.5P2 L65 L97 R103 V128 L142P2-V130 CarbonylContact O-C 3.6Å; P2-V130 WeakPolarHBondContact O-CA 3.24Å; P2-V130 WeakPolarHBondContact O-CG1 3.38Å; L65-V130 HydrophobicContact CD2-CG1 4.21Å; L65-V130 HydrophobicContact CD2-CG2 4.14Å; L97-V130 HydrophobicContact CD2-CG2 3.86Å; R103-V130 PolarHBondContact NH1-O 3.12Å; V128-V130 HydrophobicContact CG1-CG2 3.59Å; V130-L142 HydrophobicContact CG1-CD1 4.14Å
131F72.3Confident74.7Confident119 Ų11967.5 Ų67.552%0.52232%0.323SS..  trans-98.286.2-175.1-58.7-84.1000110.6M1 P2 D133M1-F131 WeakPolarHBondContact O-CD2 3.29Å; P2-F131 PolarHBondContact O-N 3.11Å; F131-D133 PolarHBondContact O-N 3Å
132L60.8Low73.6Confident47 Ų4767.2 Ų67.225%0.24632%0.323CS..THydrogen-bonded Turntrans-66.9-7.3-167.7-72.1166.7000116.4R99R99-L132 HydrophobicContact CG-CD1 4.15Å
133D52.2Low72.6Confident167 Ų16768.7 Ų68.789%0.89334%0.338SS*.THydrogen-bonded Turntrans-102.29.2-168.3-61.6-36.4000114.5F131F131-D133 PolarHBondContact O-N 3Å
134A48.7Very low72.2Confident63 Ų6368.4 Ų68.452%0.52134%0.335SS..  trans-107.1-29.1-170.100000116R136A134-R136 PolarHBondContact O-N 2.82Å
135S50.7Low71.9Confident50 Ų5071.7 Ų71.735%0.3535%0.348SS..  trans-79.279.4-168.8-320000112.5D62 Y137D62-S135 WeakPolarHBondContact OD2-CB 3.38Å; D62-S135 PolarHBondContact OD2-OG 3.44Å; S135-Y137 PolarHBondContact O-N 2.91Å
136R48.4Very low71.8Confident230 Ų23071.7 Ų71.787%0.86835%0.345SS*.  trans-71.320.1171.8-151.2-169.8-63.5-1700.6113.6A134A134-R136 PolarHBondContact O-N 2.82Å
137Y47.8Very low71.8Confident186 Ų18671.9 Ų71.973%0.72935%0.346SS*.SBendtrans-136.6129-172-64.3-77.8000110.1S135 Q139S135-Y137 PolarHBondContact O-N 2.91Å; Y137-Q139 PolarHBondContact O-N 2.96Å
138H57.2Low71.9Confident166 Ų16667 Ų6777%0.76933%0.328SS*.THydrogen-bonded Turntrans-7338.9-172.6-71.3-96.3000115.1L208H138-L208 WeakPolarHBondContact O-CD2 3.43Å
139Q61.8Low72Confident145 Ų14567 Ų6768%0.67833%0.328SS*.THydrogen-bonded Turntrans-101.8-13.5-178.5-67.6-172.9-8.200114.4Y137Y137-Q139 PolarHBondContact O-N 2.96Å
140S69.4Low72.3Confident19 Ų1966.3 Ų66.313%0.13333%0.326CS..  trans-100134.1179.6-175.30000111D62 L142 L208D62-S140 PolarHBondContact OD1-OG 3.21Å; S140-L142 WeakPolarHBondContact OG-CB 3.36Å; S140-L142 WeakPolarHBondContact OG-CD1 3.39Å; S140-L142 WeakPolarHBondContact OG-CG 3.41Å; S140-L142 PolarHBondContact OG-N 2.77Å; S140-L208 WeakPolarHBondContact O-CD2 3.23Å
141S78.3Confident72.9Confident5 Ų566.1 Ų66.14%0.03532%0.324CS..  trans-96.911.4173.3690000113.5Q66 G143 V144Q66-S141 PolarHBondContact NE2-OG 3.37Å; Q66-S141 VanDerWaalsContact OE1-N 3.11Å; Q66-S141 PolarHBondContact OE1-OG 3.37Å; S141-G143 PolarHBondContact O-N 2.87Å; S141-V144 PolarHBondContact O-N 2.89Å; S141-V144 VanDerWaalsContact O-N 3.1Å
142L75Confident73.8Confident28 Ų2862.8 Ų62.815%0.14731%0.311CS..THydrogen-bonded Turntrans-50.8103.4-177-79.2178.1000113.8D62 L97 V130 S140D62-L142 WeakPolarHBondContact OD1-CD1 3.47Å; L97-L142 HydrophobicContact CB-CD2 3.55Å; L97-L142 HydrophobicContact CD1-CD2 3.7Å; L97-L142 HydrophobicContact CD2-CD2 4.44Å; L97-L142 HydrophobicContact CG-CD2 4.06Å; V130-L142 HydrophobicContact CG1-CD1 4.14Å; S140-L142 WeakPolarHBondContact OG-CB 3.36Å; S140-L142 WeakPolarHBondContact OG-CD1 3.39Å; S140-L142 WeakPolarHBondContact OG-CG 3.41Å; S140-L142 PolarHBondContact OG-N 2.77Å
143G75.7Confident75.3Confident30 Ų3060.6 Ų60.631%0.30930%0.3SS..THydrogen-bonded Turntrans120.2-9.417600000114.8S141S141-G143 PolarHBondContact O-N 2.87Å
144V88Confident77Confident13 Ų1356.2 Ų56.28%0.07927%0.274CS..PPolyproline II helixtrans-68.2131.9163-178.70000108.8S141 F146 V210 L211 N216S141-V144 PolarHBondContact O-N 2.89Å; S141-V144 VanDerWaalsContact O-N 3.1Å; V144-F146 HydrophobicContact CB-CE2 4.25Å; V144-F146 HydrophobicContact CG1-CD2 4.2Å; V144-F146 HydrophobicContact CG1-CE2 3.74Å; V144-F146 HydrophobicContact CG1-CZ 4.38Å; V144-V210 HydrophobicContact CG1-CB 4.18Å; V144-V210 HydrophobicContact CG1-CG1 3.9Å; V144-V210 HydrophobicContact CG1-CG2 4.47Å; V144-V210 HydrophobicContact CG2-CB 4.49Å; V144-V210 HydrophobicContact CG2-CG1 4.31Å; V144-L211 HydrophobicContact CG2-CD1 3.99Å; V144-L211 HydrophobicContact CG2-CD2 3.73Å; V144-L211 HydrophobicContact CG2-CG 3.52Å; V144-N216 WeakPolarHBondContact CA-O 3.4Å
145R89.5Confident78.9Confident71 Ų7154.8 Ų54.827%0.26827%0.265SS..EExtended strand (participates in β ladder)trans-101.8131.8174-62.1-173-178.2121.52.5111R99 Y147 N216 S217 L218R99-R145 PolarHBondContact O-NH2 2.98Å; R145-Y147 HydrophobicContact CB-CD2 4.17Å; R145-Y147 HydrophobicContact CB-CE2 3.49Å; R145-Y147 VanDerWaalsContact CB-CE2 3.49Å; R145-Y147 VanDerWaalsContact CD-OH 3.3Å; R145-Y147 WeakPolarHBondContact CD-OH 3.37Å; R145-N216 PolarHBondContact N-O 2.98Å; R145-N216 VanDerWaalsContact N-O 3.17Å; R145-S217 CarbonylContact O-C 3.57Å; R145-S217 WeakPolarHBondContact O-CA 3.38Å; R145-S217 WeakPolarHBondContact O-CB 3.4Å; R145-L218 PolarHBondContact O-N 3.41Å
146F92.9Very high80.8Confident10 Ų1053.7 Ų53.74%0.04426%0.255CS..EExtended strand (participates in β ladder)trans-99.3139.3172.9-70.9-109.5000108.5V144 Q203 M206 L218 Y221 N1185V144-F146 HydrophobicContact CB-CE2 4.25Å; V144-F146 HydrophobicContact CG1-CD2 4.2Å; V144-F146 HydrophobicContact CG1-CE2 3.74Å; V144-F146 HydrophobicContact CG1-CZ 4.38Å; F146-Q203 HydrophobicContact CD1-CG 3.86Å; F146-Q203 HydrophobicContact CD2-CG 3.94Å; F146-Q203 HydrophobicContact CE1-CG 3.61Å; F146-Q203 HydrophobicContact CE2-CG 3.7Å; F146-Q203 HydrophobicContact CG-CG 4.04Å; F146-Q203 HydrophobicContact CZ-CG 3.54Å; F146-Q203 VanDerWaalsContact CZ-O 3.24Å; F146-Q203 WeakPolarHBondContact CZ-O 3.45Å; F146-M206 HydrophobicContact CE1-CB 4Å; F146-M206 HydrophobicContact CE1-SD 4.5Å; F146-M206 HydrophobicContact CZ-CB 4.05Å; F146-L218 HydrophobicContact CD1-CB 4.18Å; F146-L218 HydrophobicContact CD1-CD2 3.65Å; F146-L218 HydrophobicContact CE1-CB 4.4Å; F146-L218 HydrophobicContact CE1-CD2 3.6Å; F146-Y221 HydrophobicContact CB-CD1 4.38Å; F146-Y221 HydrophobicContact CD1-CD1 4.11Å; F146-Y221 HydrophobicContact CD1-CD2 4.02Å; F146-Y221 HydrophobicContact CD1-CE1 4.27Å; F146-Y221 HydrophobicContact CD1-CE2 4.16Å; F146-Y221 AromaticContact CD1-CG 3.99Å; F146-Y221 HydrophobicContact CD1-CG 3.99Å; F146-Y221 HydrophobicContact CE1-CD2 4.46Å; F146-Y221 HydrophobicContact CE1-CE2 4.36Å; F146-N1185 HydrophobicContact CB-CB 4.2Å
147Y94.4Very high82.8Confident6 Ų645.7 Ų45.72%0.02423%0.231CC..  trans-136.2119.1-178.4-69.1-80.5000109.3R145 C149 P153 L218 G220 Y221 L244 Y1182 D1258R145-Y147 HydrophobicContact CB-CD2 4.17Å; R145-Y147 HydrophobicContact CB-CE2 3.49Å; R145-Y147 VanDerWaalsContact CB-CE2 3.49Å; R145-Y147 VanDerWaalsContact CD-OH 3.3Å; R145-Y147 WeakPolarHBondContact CD-OH 3.37Å; Y147-C149 VanDerWaalsContact C-N 3.34Å; Y147-P153 HydrophobicContact CD1-CB 3.91Å; Y147-P153 HydrophobicContact CD1-CG 3.44Å; Y147-P153 VanDerWaalsContact CD1-CG 3.44Å; Y147-P153 HydrophobicContact CD2-CG 3.85Å; Y147-P153 HydrophobicContact CE1-CB 3.61Å; Y147-P153 HydrophobicContact CE1-CG 3.55Å; Y147-P153 HydrophobicContact CE2-CG 3.96Å; Y147-P153 HydrophobicContact CG-CG 3.59Å; Y147-L218 WeakPolarHBondContact CB-O 3.41Å; Y147-L218 PolarHBondContact N-O 2.68Å; Y147-G220 PolarHBondContact O-N 2.93Å; Y147-G220 VanDerWaalsContact O-N 3.1Å; Y147-Y221 WeakPolarHBondContact O-CB 3.4Å; Y147-Y221 PolarHBondContact O-N 2.89Å; Y147-L244 HydrophobicContact CD2-CD1 4.35Å; Y147-L244 HydrophobicContact CE2-CD1 3.8Å; Y147-Y1182 HydrophobicContact CD1-CD1 4.21Å; Y147-Y1182 HydrophobicContact CD1-CE1 4.37Å; Y147-Y1182 AromaticContact CE1-CD1 3.81Å; Y147-Y1182 HydrophobicContact CE1-CD1 3.81Å; Y147-Y1182 HydrophobicContact CE1-CD2 4.17Å; Y147-Y1182 HydrophobicContact CE1-CE1 4.22Å; Y147-Y1182 AromaticContact CE1-CG 3.78Å; Y147-Y1182 HydrophobicContact CE1-CG 3.78Å; Y147-D1258 WeakPolarHBondContact CA-OD1 3.33Å
148H93.6Very high84.8Confident11 Ų1138.2 Ų38.25%0.05120%0.204CC..  trans-72.3-28172.2-72.7104.7000112.4C150 Y221 D1187 C1256 G1257 D1258H148-C150 PolarHBondContact O-N 3.32Å; H148-Y221 AromaticContact CD2-CD1 3.83Å; H148-Y221 PolarHBondContact CD2-O 3Å; H148-Y221 VanDerWaalsContact CD2-O 3.27Å; H148-Y221 AromaticContact CE1-CD1 3.77Å; H148-Y221 AromaticContact NE2-CD1 3.32Å; H148-Y221 VanDerWaalsContact NE2-CD1 3.32Å; H148-Y221 WeakPolarHBondContact NE2-CD1 3.15Å; H148-Y221 AromaticContact NE2-CE1 3.66Å; H148-D1187 IonicContact CE1-OD1 2.72Å; H148-D1187 PolarHBondContact CE1-OD1 2.72Å; H148-D1187 IonicContact CE1-OD2 3.42Å; H148-D1187 PolarHBondContact CE1-OD2 3.32Å; H148-D1187 IonicContact NE2-OD1 3.43Å; H148-D1187 PolarHBondContact NE2-OD1 3.2Å; H148-D1187 IonicContact NE2-OD2 3.43Å; H148-C1256 VanDerWaalsContact CD2-SG 3.57Å; H148-C1256 WeakPolarHBondContact NE2-CB 3.19Å; H148-G1257 VanDerWaalsContact ND1-C 3.32Å; H148-G1257 PolarHBondContact ND1-N 3.43Å; H148-G1257 PolarHBondContact ND1-O 3.42Å; H148-D1258 IonicContact CG-OD1 3.94Å; H148-D1258 VanDerWaalsContact N-CG 3.3Å; H148-D1258 PolarHBondContact N-OD1 3.08Å; H148-D1258 PolarHBondContact N-OD2 2.84Å; H148-D1258 IonicContact ND1-OD1 3.52Å; H148-D1258 PolarHBondContact ND1-OD1 2.86Å
149C92.9Very high86.2Confident0 Ų033 Ų330%018%0.181CC..  trans-55130.4174.341.80000110.5Y147 T151 I219 G220 S1172 S1232 D1258Y147-C149 VanDerWaalsContact C-N 3.34Å; C149-T151 PolarHBondContact O-N 3Å; C149-I219 WeakPolarHBondContact O-CG2 3.47Å; C149-G220 PolarHBondContact O-N 2.86Å; C149-S1172 WeakPolarHBondContact CA-OG 3.17Å; C149-S1172 VanDerWaalsContact CB-CB 3.41Å; C149-S1172 WeakPolarHBondContact CB-OG 3.27Å; C149-S1232 WeakPolarHBondContact CA-OG 3.36Å; C149-S1232 VanDerWaalsContact CB-OG 3.28Å; C149-S1232 WeakPolarHBondContact CB-OG 3.43Å; C149-S1232 PolarHBondContact N-OG 3.17Å; C149-S1232 VanDerWaalsContact N-OG 3.09Å; C149-D1258 PolarHBondContact N-OD2 3.42Å; C149-D1258 PolarHBondContact SG-OD2 3.39Å
150C90.9Very high87.3Confident13 Ų1328.3 Ų28.39%0.08816%0.164CC..SBendtrans-90.429.4-177.6-680000111.4H148 S302 Q303H148-C150 PolarHBondContact O-N 3.32Å; C150-S302 PolarHBondContact O-N 3.38Å; C150-Q303 PolarHBondContact O-N 3.21Å
151T90.5Very high88.2Confident10 Ų1028.2 Ų28.26%0.06116%0.162CC..SBendtrans-143-179.3-170.174.70000109.1C149 P153 I219 Q303 S1172C149-T151 PolarHBondContact O-N 3Å; T151-P153 WeakPolarHBondContact O-CD 3.46Å; T151-I219 WeakPolarHBondContact O-CG2 3.26Å; T151-Q303 HydrophobicContact CG2-CB 3.67Å; T151-S1172 WeakPolarHBondContact OG1-CB 3.41Å
152I91.2Very high88.6Confident48 Ų4830.1 Ų30.125%0.24617%0.172CC..PPolyproline II helixtrans-77.7125.1170.7-67177.2000109.3Q154 F156 I158 L305I152-Q154 PolarHBondContact O-N 3.12Å; I152-F156 HydrophobicContact CG2-CB 4.44Å; I152-F156 WeakPolarHBondContact CG2-O 3.3Å; I152-I158 HydrophobicContact CD1-CD1 3.79Å; I152-I158 HydrophobicContact CD1-CG1 3.87Å; I152-I158 HydrophobicContact CG1-CD1 3.82Å; I152-I158 HydrophobicContact CG1-CG1 4.06Å; I152-L305 HydrophobicContact CD1-CD1 3.85Å; I152-L305 HydrophobicContact CD1-CD2 3.75Å; I152-L305 HydrophobicContact CD1-CG 4.44Å; I152-L305 HydrophobicContact CG1-CD1 4.3Å; I152-L305 HydrophobicContact CG1-CD2 3.84Å
153P91.9Very high89.2Confident1 Ų129.4 Ų29.41%0.00617%0.171CC..PPolyproline II helixtrans-56.4133.9174.4-24.133.2000111.9Y147 T151 G155 F156 I219 L244 Y1182Y147-P153 HydrophobicContact CD1-CB 3.91Å; Y147-P153 HydrophobicContact CD1-CG 3.44Å; Y147-P153 VanDerWaalsContact CD1-CG 3.44Å; Y147-P153 HydrophobicContact CD2-CG 3.85Å; Y147-P153 HydrophobicContact CE1-CB 3.61Å; Y147-P153 HydrophobicContact CE1-CG 3.55Å; Y147-P153 HydrophobicContact CE2-CG 3.96Å; Y147-P153 HydrophobicContact CG-CG 3.59Å; T151-P153 WeakPolarHBondContact O-CD 3.46Å; P153-G155 PolarHBondContact O-N 3.5Å; P153-F156 HydrophobicContact CB-CD2 3.97Å; P153-F156 WeakPolarHBondContact O-CB 3.12Å; P153-F156 PolarHBondContact O-N 2.89Å; P153-F156 VanDerWaalsContact O-N 3.1Å; P153-I219 HydrophobicContact CG-CD1 4.5Å; P153-L244 HydrophobicContact CG-CD1 4.16Å; P153-Y1182 WeakPolarHBondContact CA-OH 3.45Å; P153-Y1182 HydrophobicContact CB-CD2 4.36Å; P153-Y1182 HydrophobicContact CB-CE1 4.39Å; P153-Y1182 HydrophobicContact CB-CE2 3.68Å
154Q89.1Confident89.9Confident75 Ų7528.2 Ų28.235%0.3516%0.157SC..THydrogen-bonded Turntrans-60.6137.3-172.2-162.918018.900111.6I152 F156 T1177 V1179 Y1182I152-Q154 PolarHBondContact O-N 3.12Å; Q154-F156 VanDerWaalsContact C-N 3.33Å; Q154-T1177 PolarHBondContact NE2-O 3.08Å; Q154-V1179 HydrophobicContact CB-CB 4.3Å; Q154-V1179 HydrophobicContact CB-CG2 4.27Å; Q154-Y1182 PolarHBondContact N-OH 3.1Å
155G87.4Confident90.2Very high33 Ų3328.2 Ų28.234%0.3416%0.157SC..THydrogen-bonded Turntrans78.211.9-174.700000114.9P153 K246 Y247P153-G155 PolarHBondContact O-N 3.5Å; G155-K246 WeakPolarHBondContact O-CG 3.2Å; G155-Y247 WeakPolarHBondContact O-CB 3.44Å; G155-Y247 PolarHBondContact O-N 2.99Å
156F90.8Very high90.4Very high28 Ų2826.2 Ų26.212%0.12315%0.15CC..EExtended strand (participates in β ladder)trans-118.8162.3169.5-65.9-91.5000112.2I152 P153 Q154 L244 K245 K246 Y1182I152-F156 HydrophobicContact CG2-CB 4.44Å; I152-F156 WeakPolarHBondContact CG2-O 3.3Å; P153-F156 HydrophobicContact CB-CD2 3.97Å; P153-F156 WeakPolarHBondContact O-CB 3.12Å; P153-F156 PolarHBondContact O-N 2.89Å; P153-F156 VanDerWaalsContact O-N 3.1Å; Q154-F156 VanDerWaalsContact C-N 3.33Å; F156-L244 HydrophobicContact CB-CD1 4.3Å; F156-L244 HydrophobicContact CB-CD2 4.27Å; F156-L244 HydrophobicContact CD1-CB 4.08Å; F156-L244 HydrophobicContact CD1-CD1 4.43Å; F156-L244 HydrophobicContact CG-CD1 4.34Å; F156-K245 CarbonylContact C-O 3.6Å; F156-K245 WeakPolarHBondContact CA-O 3.35Å; F156-K246 HydrophobicContact CD1-CB 4.23Å; F156-K246 HydrophobicContact CE1-CB 4.03Å; F156-K246 HydrophobicContact CE1-CG 4.29Å; F156-Y1182 HydrophobicContact CE2-CD2 4.12Å
157V91.6Very high90.4Very high62 Ų6227.5 Ų27.538%0.37616%0.157SC..EExtended strand (participates in β ladder)trans-132.7146.9168.4-68.40000109.6L244 K245 Y247V157-L244 WeakPolarHBondContact O-CA 3.42Å; V157-K245 HydrophobicContact CG2-CB 4.18Å; V157-K245 PolarHBondContact N-O 3Å; V157-K245 PolarHBondContact O-N 3.45Å; V157-Y247 HydrophobicContact CG1-CD2 3.83Å
158I89.4Confident90.3Very high29 Ų2927.5 Ų27.515%0.14916%0.157CC..EExtended strand (participates in β ladder)trans-76.8124.4172.8-65.1175.3000108.9I152 V242 L244 L305I152-I158 HydrophobicContact CD1-CD1 3.79Å; I152-I158 HydrophobicContact CD1-CG1 3.87Å; I152-I158 HydrophobicContact CG1-CD1 3.82Å; I152-I158 HydrophobicContact CG1-CG1 4.06Å; I158-V242 HydrophobicContact CD1-CG1 4.12Å; I158-V242 HydrophobicContact CG1-CG1 4.39Å; I158-L244 HydrophobicContact CG1-CD2 3.75Å; I158-L305 HydrophobicContact CD1-CD1 3.86Å
159D86.7Confident90.2Very high57 Ų5727.3 Ų27.331%0.30516%0.157SC..EExtended strand (participates in β ladder)trans-87.2-34.7171.1-169.849000111.4R243 K245D159-R243 HydrophobicContact CB-CB 4.2Å; D159-R243 HydrophobicContact CB-CG 4.24Å; D159-R243 WeakPolarHBondContact CB-O 3.32Å; D159-R243 PolarHBondContact N-O 2.75Å; D159-R243 WeakPolarHBondContact OD2-CD 3.3Å; D159-R243 IonicContact OD2-CZ 2.9Å; D159-R243 IonicContact OD2-NE 2.78Å; D159-R243 IonicContact OD2-NH1 2.86Å; D159-R243 PolarHBondContact OD2-NH1 3.49Å; D159-K245 HydrophobicContact CB-CD 3.91Å; D159-K245 HydrophobicContact CB-CG 4.12Å; D159-K245 VanDerWaalsContact OD1-CE 3.28Å; D159-K245 WeakPolarHBondContact OD1-CE 3.37Å; D159-K245 IonicContact OD1-NZ 3.36Å; D159-K245 PolarHBondContact OD1-NZ 2.98Å; D159-K245 WeakPolarHBondContact OD2-CE 3.39Å; D159-K245 IonicContact OD2-NZ 2.73Å; D159-K245 PolarHBondContact OD2-NZ 3.18Å
160S85.1Confident89.9Confident45 Ų4529.6 Ų29.632%0.31517%0.168SC..EExtended strand (participates in β ladder)trans-156.7132.7171.958.40000110.7V242 R243S160-V242 WeakPolarHBondContact O-CA 3.21Å; S160-R243 PolarHBondContact O-N 2.88Å; S160-R243 VanDerWaalsContact OG-CB 3.26Å; S160-R243 WeakPolarHBondContact OG-CB 3.43Å
161L87.5Confident89.6Confident18 Ų1832 Ų329%0.09418%0.18CC..EExtended strand (participates in β ladder)trans-80.7128.9161.5-169.864000107.2T240 V242 L299 I301 W387L161-T240 HydrophobicContact CD1-CG2 3.62Å; L161-V242 HydrophobicContact CD1-CG1 3.74Å; L161-L299 HydrophobicContact CD1-CD2 4.07Å; L161-L299 HydrophobicContact CD2-CD1 3.97Å; L161-L299 HydrophobicContact CD2-CD2 3.94Å; L161-L299 HydrophobicContact CG-CD2 4.17Å; L161-I301 HydrophobicContact CD1-CD1 4.03Å; L161-W387 WeakPolarHBondContact CB-O 3.49Å
162I87Confident89.2Confident45 Ų4537 Ų3723%0.23121%0.206CC..EExtended strand (participates in β ladder)trans-112-49.8-167.1-51.4178.8000111.9I213 A241 R243I162-I213 HydrophobicContact CB-CD1 4.46Å; I162-I213 HydrophobicContact CG2-CB 4.08Å; I162-I213 HydrophobicContact CG2-CD1 3.8Å; I162-I213 HydrophobicContact CG2-CG1 3.92Å; I162-I213 WeakPolarHBondContact CG2-O 3.29Å; I162-A241 HydrophobicContact CB-CB 4.44Å; I162-A241 WeakPolarHBondContact CB-O 3.16Å; I162-A241 PolarHBondContact N-O 3.06Å; I162-R243 HydrophobicContact CD1-CB 4.36Å
163G86.3Confident88.7Confident13 Ų1334.9 Ų34.913%0.13420%0.195CC..EExtended strand (participates in β ladder)trans163.5-175.5179.100000113.6A241G163-A241 PolarHBondContact N-O 3.44Å; G163-A241 PolarHBondContact O-N 2.79Å
164F92.3Very high88Confident5 Ų535.3 Ų35.32%0.02220%0.198CC..EExtended strand (participates in β ladder)trans-76.2144173.8-172.7-123.4000111Q166 I238 F298 T300 Y361F164-Q166 HydrophobicContact CD1-CB 4.42Å; F164-Q166 HydrophobicContact CE1-CB 3.86Å; F164-Q166 HydrophobicContact CE1-CG 4.29Å; F164-Q166 HydrophobicContact CZ-CB 4.4Å; F164-I238 HydrophobicContact CE2-CB 3.86Å; F164-I238 HydrophobicContact CE2-CG2 4.37Å; F164-I238 HydrophobicContact CZ-CB 3.77Å; F164-I238 HydrophobicContact CZ-CG2 3.76Å; F164-F298 HydrophobicContact CB-CB 4.07Å; F164-F298 HydrophobicContact CD1-CB 4.35Å; F164-F298 AromaticContact CD1-CD2 3.9Å; F164-F298 HydrophobicContact CD1-CD2 3.9Å; F164-F298 HydrophobicContact CD2-CB 3.64Å; F164-F298 HydrophobicContact CE1-CD2 4.14Å; F164-F298 HydrophobicContact CE2-CB 4.07Å; F164-F298 HydrophobicContact CG-CB 3.8Å; F164-F298 HydrophobicContact CG-CD2 4.16Å; F164-F298 HydrophobicContact CG-CG 4.48Å; F164-T300 HydrophobicContact CE2-CG2 4.15Å; F164-Y361 AromaticContact CE2-CD1 3.94Å; F164-Y361 HydrophobicContact CE2-CD1 3.94Å; F164-Y361 HydrophobicContact CE2-CE1 4.13Å; F164-Y361 HydrophobicContact CZ-CD1 4.13Å; F164-Y361 AromaticContact CZ-CE1 3.83Å; F164-Y361 HydrophobicContact CZ-CE1 3.83Å
165I93.9Very high87.2Confident13 Ų1334.4 Ų34.47%0.06719%0.194CC..EExtended strand (participates in β ladder)trans-127.3133.8168.7-73.1-59.8000109.1M206 K209 V210 I213 L218 I238 G239 A241I165-M206 HydrophobicContact CG2-CB 4.15Å; I165-M206 HydrophobicContact CG2-CE 3.89Å; I165-M206 HydrophobicContact CG2-CG 4.27Å; I165-K209 HydrophobicContact CD1-CB 3.8Å; I165-K209 HydrophobicContact CG2-CB 4.26Å; I165-V210 HydrophobicContact CB-CG2 4.5Å; I165-V210 HydrophobicContact CG1-CG2 3.98Å; I165-V210 HydrophobicContact CG2-CG2 4.32Å; I165-I213 HydrophobicContact CD1-CD1 3.56Å; I165-I213 HydrophobicContact CD1-CG1 4.45Å; I165-I213 HydrophobicContact CG1-CD1 3.89Å; I165-L218 HydrophobicContact CB-CD1 3.87Å; I165-L218 HydrophobicContact CG1-CD1 4.4Å; I165-L218 HydrophobicContact CG2-CD1 4.26Å; I165-I238 CarbonylContact O-C 3.54Å; I165-I238 WeakPolarHBondContact O-CA 3.41Å; I165-G239 PolarHBondContact N-O 2.93Å; I165-G239 PolarHBondContact O-N 2.93Å; I165-A241 HydrophobicContact CG1-CB 3.71Å
166Q93.3Very high86Confident28 Ų2836.9 Ų36.913%0.13120%0.196CC..EExtended strand (participates in β ladder)trans-133.2147.2179.558.3-177.93.200110.7F164 K209 G237 I238 E295F164-Q166 HydrophobicContact CD1-CB 4.42Å; F164-Q166 HydrophobicContact CE1-CB 3.86Å; F164-Q166 HydrophobicContact CE1-CG 4.29Å; F164-Q166 HydrophobicContact CZ-CB 4.4Å; Q166-K209 WeakPolarHBondContact O-CD 3.33Å; Q166-K209 PolarHBondContact O-NZ 2.89Å; Q166-G237 CarbonylContact C-O 3.58Å; Q166-G237 WeakPolarHBondContact CA-O 3.41Å; Q166-I238 HydrophobicContact CB-CG2 4.38Å; Q166-E295 PolarHBondContact NE2-OE2 2.88Å
167E93.3Very high84.6Confident38 Ų3838.7 Ų38.718%0.17821%0.205CC..EExtended strand (participates in β ladder)trans-149.2151.1165.7-162.668.9-86.200110.1L202 K205 M206 K209 R236 G237E167-L202 HydrophobicContact CB-CD1 3.7Å; E167-L202 HydrophobicContact CB-CG 4.48Å; E167-L202 HydrophobicContact CG-CD1 3.76Å; E167-K205 HydrophobicContact CG-CB 3.82Å; E167-K205 HydrophobicContact CG-CD 4.22Å; E167-K205 WeakPolarHBondContact OE2-CB 3.48Å; E167-M206 HydrophobicContact CB-CG 3.41Å; E167-M206 VanDerWaalsContact CB-CG 3.41Å; E167-M206 HydrophobicContact CB-SD 4.3Å; E167-M206 HydrophobicContact CG-CG 4.36Å; E167-K209 IonicContact OE1-NZ 3.01Å; E167-K209 PolarHBondContact OE1-NZ 2.95Å; E167-K209 VanDerWaalsContact OE2-CD 3.31Å; E167-K209 WeakPolarHBondContact OE2-CD 3.29Å; E167-K209 WeakPolarHBondContact OE2-CE 3.47Å; E167-K209 IonicContact OE2-NZ 3.63Å; E167-K209 PolarHBondContact OE2-NZ 2.97Å; E167-R236 WeakPolarHBondContact O-CA 3.45Å; E167-G237 PolarHBondContact N-O 3.35Å; E167-G237 PolarHBondContact O-N 3.32Å
168L92.4Very high82.6Confident6 Ų644.8 Ų44.83%0.03122%0.221CC..EExtended strand (participates in β ladder)trans-127.4142.3173.7-162.2150.9000108.9M170 V234 V235 R236 I332 R335 D336L168-M170 HydrophobicContact CD2-CB 4.44Å; L168-V234 HydrophobicContact CD1-CG1 4.1Å; L168-V234 HydrophobicContact CD2-CG1 3.99Å; L168-V234 HydrophobicContact CG-CG1 4.07Å; L168-V235 CarbonylContact C-O 3.51Å; L168-V235 WeakPolarHBondContact CA-O 3.2Å; L168-R236 HydrophobicContact CB-CG 4.36Å; L168-R236 HydrophobicContact CD1-CG 3.57Å; L168-R236 HydrophobicContact CG-CG 3.69Å; L168-I332 HydrophobicContact CD2-CD1 4.1Å; L168-I332 HydrophobicContact CD2-CG1 3.39Å; L168-I332 WeakPolarHBondContact O-CD1 3.37Å; L168-R335 HydrophobicContact CD1-CB 3.68Å; L168-R335 HydrophobicContact CD2-CB 4.3Å; L168-D336 VanDerWaalsContact CB-OD1 3.26Å; L168-D336 WeakPolarHBondContact CB-OD1 3.3Å
169V90.3Very high81.1Confident7 Ų746 Ų464%0.04223%0.228CC..EExtended strand (participates in β ladder)trans-131.5138.8169.4174.50000108.4N171 L199 L202 K205 V235V169-N171 VanDerWaalsContact CG1-OD1 3.32Å; V169-N171 WeakPolarHBondContact CG1-OD1 3.42Å; V169-L199 HydrophobicContact CB-CD2 4.09Å; V169-L199 HydrophobicContact CG1-CD2 3.58Å; V169-L202 HydrophobicContact CB-CD1 4.19Å; V169-L202 HydrophobicContact CG2-CB 4.05Å; V169-L202 HydrophobicContact CG2-CD1 3.71Å; V169-K205 HydrophobicContact CG2-CD 4.29Å; V169-V235 PolarHBondContact N-O 2.78Å; V169-V235 PolarHBondContact O-N 3.02Å
170M86.6Confident79.5Confident47 Ų4744.6 Ų44.623%0.23222%0.22CC..EExtended strand (participates in β ladder)trans-127.7134.2-178.7175.5-174.5-85.200109.1L168 V233 V234 I332 R335L168-M170 HydrophobicContact CD2-CB 4.44Å; M170-V233 WeakPolarHBondContact CA-O 3.27Å; M170-V234 HydrophobicContact CB-CG2 4.34Å; M170-V234 HydrophobicContact CE-CG2 3.6Å; M170-V234 HydrophobicContact CG-CG2 4.19Å; M170-I332 HydrophobicContact CB-CD1 4.36Å; M170-I332 HydrophobicContact CB-CG1 4.15Å; M170-R335 HydrophobicContact CE-CG 3.56Å
171N85.8Confident78.1Confident63 Ų6351.7 Ų51.734%0.33725%0.245SC..EExtended strand (participates in β ladder)trans-145148.3-178.6-77.3100.4000110.8V169 D173 L195 G232 V233V169-N171 VanDerWaalsContact CG1-OD1 3.32Å; V169-N171 WeakPolarHBondContact CG1-OD1 3.42Å; N171-D173 PolarHBondContact O-N 3.17Å; N171-L195 HydrophobicContact CB-CD1 3.58Å; N171-L195 HydrophobicContact CB-CD2 4.1Å; N171-L195 HydrophobicContact CB-CG 4.47Å; N171-G232 WeakPolarHBondContact O-CA 3.27Å; N171-V233 PolarHBondContact N-O 2.82Å; N171-V233 PolarHBondContact O-N 3.49Å
172D82.1Confident76.5Confident116 Ų11657.2 Ų57.262%0.6227%0.273SS*.  trans-59.6131.7170.8-41.2-42.5000110.3P174 L195D172-P174 WeakPolarHBondContact O-CD 3.21Å; D172-L195 WeakPolarHBondContact O-CD2 3.18Å
173D80.5Confident75.3Confident4 Ų459.4 Ų59.42%0.02128%0.278CS..  trans-71.1123.9169.9-171.5-20.6000109N171 E175 H176 R192 V233N171-D173 PolarHBondContact O-N 3.17Å; D173-E175 PolarHBondContact O-N 2.96Å; D173-E175 PolarHBondContact OD1-N 3.05Å; D173-H176 PolarHBondContact O-N 3.49Å; D173-H176 IonicContact OD2-CD2 3.6Å; D173-R192 WeakPolarHBondContact OD1-CG 3.46Å; D173-R192 IonicContact OD1-CZ 2.87Å; D173-R192 IonicContact OD1-NE 3.65Å; D173-R192 PolarHBondContact OD1-NE 2.85Å; D173-R192 IonicContact OD1-NH2 3.72Å; D173-R192 IonicContact OD2-CZ 3.51Å; D173-R192 IonicContact OD2-NE 3.72Å; D173-R192 PolarHBondContact OD2-NE 2.78Å; D173-R192 IonicContact OD2-NH2 3.3Å; D173-R192 PolarHBondContact OD2-NH2 2.89Å; D173-V233 HydrophobicContact CB-CG2 3.66Å
174P76.9Confident74.4Confident9 Ų963.6 Ų63.66%0.05830%0.301CS..G310 helixtrans-50.5-40.3174.4-30.238.3000113.9D172 H176 Q177 E180 A191 R192 L195D172-P174 WeakPolarHBondContact O-CD 3.21Å; P174-H176 PolarHBondContact O-N 2.81Å; P174-Q177 WeakPolarHBondContact O-CB 3.25Å; P174-Q177 PolarHBondContact O-N 2.84Å; P174-Q177 VanDerWaalsContact O-N 3.08Å; P174-E180 WeakPolarHBondContact O-CG 3.39Å; P174-A191 HydrophobicContact CB-CB 3.65Å; P174-A191 HydrophobicContact CG-CB 4Å; P174-R192 HydrophobicContact CB-CG 4.28Å; P174-R192 HydrophobicContact CG-CG 4.23Å; P174-L195 HydrophobicContact CG-CB 4.43Å; P174-L195 HydrophobicContact CG-CD2 4.36Å
175E71.6Confident73.2Confident57 Ų5766.1 Ų66.127%0.26632%0.319SS..G310 helixtrans-65.3-22.1-174.7-173.8167-9300114D173 R192 Q1250D173-E175 PolarHBondContact O-N 2.96Å; D173-E175 PolarHBondContact OD1-N 3.05Å; E175-R192 VanDerWaalsContact CB-CZ 3.42Å; E175-R192 IonicContact OE1-CZ 2.67Å; E175-R192 IonicContact OE1-NH1 3.44Å; E175-R192 PolarHBondContact OE1-NH1 2.86Å; E175-R192 IonicContact OE2-CZ 3.54Å; E175-R192 IonicContact OE2-NH1 2.95Å; E175-R192 PolarHBondContact OE2-NH1 2.96Å; E175-R192 IonicContact OE2-NH2 3.84Å; E175-R192 PolarHBondContact OE2-NH2 3.41Å; E175-Q1250 PolarHBondContact OE1-NE2 3.11Å; E175-Q1250 PolarHBondContact OE1-OE1 2.87Å
176H63Low72.2Confident85 Ų8567.6 Ų67.639%0.39432%0.324SS..G310 helixtrans-95.2-3.5177.6-68.7-79.4000113.6D173 P174 G229 E230D173-H176 PolarHBondContact O-N 3.49Å; D173-H176 IonicContact OD2-CD2 3.6Å; P174-H176 PolarHBondContact O-N 2.81Å; H176-G229 PolarHBondContact CD2-O 2.89Å; H176-G229 VanDerWaalsContact CD2-O 3.23Å; H176-G229 WeakPolarHBondContact NE2-CA 3.25Å; H176-E230 HydrophobicContact CB-CG 4.3Å; H176-E230 WeakPolarHBondContact ND1-CG 3.43Å
177Q60.4Low71.2Confident66 Ų6668 Ų6831%0.30833%0.332SS..SBendtrans-71.1140177.5-62.5-175.3-7.800111.5P174 I179 E180P174-Q177 WeakPolarHBondContact O-CB 3.25Å; P174-Q177 PolarHBondContact O-N 2.84Å; P174-Q177 VanDerWaalsContact O-N 3.08Å; Q177-I179 HydrophobicContact CB-CG2 3.96Å; Q177-I179 PolarHBondContact O-N 2.84Å; Q177-E180 HydrophobicContact CB-CG 4.35Å; Q177-E180 WeakPolarHBondContact O-CB 3.49Å; Q177-E180 WeakPolarHBondContact O-CG 3.49Å; Q177-E180 PolarHBondContact O-N 2.9Å
178W51.5Low70.3Confident189 Ų18966.5 Ų66.572%0.71633%0.326SS*.G310 helixtrans-53.9-29.6-177.770.8-90.1000114.5E180 K181 I182W178-E180 PolarHBondContact O-N 2.72Å; W178-K181 WeakPolarHBondContact O-CB 3.35Å; W178-K181 PolarHBondContact O-N 3.05Å; W178-I182 HydrophobicContact CE3-CD1 4.46Å; W178-I182 HydrophobicContact CZ3-CD1 3.85Å
179I57.1Low69.7Low56 Ų5666.2 Ų66.229%0.28732%0.324SS..G310 helixtrans-67.9-18.4-179.4-163.7165.7000113Q177 K181 I182 R183Q177-I179 HydrophobicContact CB-CG2 3.96Å; Q177-I179 PolarHBondContact O-N 2.84Å; I179-K181 PolarHBondContact O-N 2.94Å; I179-I182 WeakPolarHBondContact O-CB 3.36Å; I179-I182 PolarHBondContact O-N 3.49Å; I179-R183 VanDerWaalsContact CG2-CZ 3.44Å; I179-R183 PolarHBondContact O-N 3.09Å
180E52Low69.1Low27 Ų2767 Ų6713%0.12633%0.328CS..G310 helixtrans-61.6-32.9175.1-65.4-71.6114.500112.5P174 Q177 W178 I182 R183 S188P174-E180 WeakPolarHBondContact O-CG 3.39Å; Q177-E180 HydrophobicContact CB-CG 4.35Å; Q177-E180 WeakPolarHBondContact O-CB 3.49Å; Q177-E180 WeakPolarHBondContact O-CG 3.49Å; Q177-E180 PolarHBondContact O-N 2.9Å; W178-E180 PolarHBondContact O-N 2.72Å; E180-I182 PolarHBondContact O-N 2.96Å; E180-R183 PolarHBondContact O-N 3.1Å; E180-R183 WeakPolarHBondContact OE1-CD 3.42Å; E180-R183 IonicContact OE1-CZ 3.01Å; E180-R183 IonicContact OE1-NE 2.93Å; E180-R183 IonicContact OE1-NH1 3.83Å; E180-R183 PolarHBondContact OE1-NH1 2.94Å; E180-S188 WeakPolarHBondContact OE2-CB 3.22Å; E180-S188 PolarHBondContact OE2-OG 2.93Å
181K57.4Low68.7Low194 Ų19465.8 Ų65.884%0.84333%0.325SS*.G310 helixtrans-62.5-4.9174.6-59.6178.2-178.2175.40113.1W178 I179W178-K181 WeakPolarHBondContact O-CB 3.35Å; W178-K181 PolarHBondContact O-N 3.05Å; I179-K181 PolarHBondContact O-N 2.94Å
182I53.4Low68.6Low133 Ų13363.1 Ų63.168%0.68231%0.31SS*.G310 helixtrans-123.5-10.9179.3-43.9178.5000111.2W178 I179 E180W178-I182 HydrophobicContact CE3-CD1 4.46Å; W178-I182 HydrophobicContact CZ3-CD1 3.85Å; I179-I182 WeakPolarHBondContact O-CB 3.36Å; I179-I182 PolarHBondContact O-N 3.49Å; E180-I182 PolarHBondContact O-N 2.96Å
183R62.3Low68.7Low91 Ų9158.2 Ų58.234%0.34328%0.284SS..SBendtrans-89.5162.3-179.9-76.3169.1173.4168.75.8111.7I179 E180 A187I179-R183 VanDerWaalsContact CG2-CZ 3.44Å; I179-R183 PolarHBondContact O-N 3.09Å; E180-R183 PolarHBondContact O-N 3.1Å; E180-R183 WeakPolarHBondContact OE1-CD 3.42Å; E180-R183 IonicContact OE1-CZ 3.01Å; E180-R183 IonicContact OE1-NE 2.93Å; E180-R183 IonicContact OE1-NH1 3.83Å; E180-R183 PolarHBondContact OE1-NH1 2.94Å; R183-A187 HydrophobicContact CB-CB 4.36Å
184T65.4Low68.7Low101 Ų10163 Ų6362%0.6230%0.301SS*.  trans-87.4152.8165.959.30000110R186 A187 S188T184-R186 PolarHBondContact O-N 3.12Å; T184-A187 WeakPolarHBondContact O-CA 3.45Å; T184-A187 WeakPolarHBondContact O-CB 3.45Å; T184-A187 PolarHBondContact O-N 3.1Å; T184-S188 PolarHBondContact O-N 3.02Å; T184-S188 VanDerWaalsContact O-N 3.08Å
185S68.9Low68.9Low58 Ų5863.6 Ų63.641%0.40630%0.304SS..Hα-helixtrans-54.7-40.2-179.7-25.70000112.4A187 S188 N189 E1193S185-A187 VanDerWaalsContact C-N 3.26Å; S185-A187 PolarHBondContact O-N 2.7Å; S185-S188 WeakPolarHBondContact O-CB 3.35Å; S185-S188 PolarHBondContact O-N 2.76Å; S185-S188 VanDerWaalsContact O-N 3.15Å; S185-N189 WeakPolarHBondContact O-CB 3.23Å; S185-N189 PolarHBondContact O-N 2.88Å; S185-N189 PolarHBondContact O-ND2 3.13Å; S185-N189 VanDerWaalsContact O-ND2 3.11Å; S185-E1193 WeakPolarHBondContact CB-OE1 3.36Å; S185-E1193 WeakPolarHBondContact CB-OE2 3.16Å; S185-E1193 PolarHBondContact OG-OE1 2.93Å
186R71.9Confident69.3Low45 Ų4561.2 Ų61.217%0.1729%0.293CS..Hα-helixtrans-59.5-33175.2-171.1-176.7-116.9-175.76.4113.2T85 D113 T184 E190T85-R186 PolarHBondContact O-NH1 2.94Å; T85-R186 PolarHBondContact O-NH2 2.8Å; T85-R186 VanDerWaalsContact O-NH2 3.16Å; T85-R186 PolarHBondContact OG1-NH1 3.01Å; D113-R186 IonicContact OD1-CZ 2.75Å; D113-R186 IonicContact OD1-NE 3.71Å; D113-R186 PolarHBondContact OD1-NE 3.15Å; D113-R186 IonicContact OD1-NH2 3.94Å; D113-R186 PolarHBondContact OD1-NH2 2.93Å; D113-R186 IonicContact OD2-CZ 2.68Å; D113-R186 IonicContact OD2-NE 3.57Å; D113-R186 IonicContact OD2-NH2 3.63Å; D113-R186 PolarHBondContact OD2-NH2 3.45Å; T184-R186 PolarHBondContact O-N 3.12Å; R186-E190 WeakPolarHBondContact O-CB 3.5Å; R186-E190 PolarHBondContact O-N 3.43Å; R186-E190 VanDerWaalsContact O-N 3.1Å
187A71.8Confident69.8Low36 Ų3657.8 Ų57.830%0.29828%0.278SS..Hα-helixtrans-77.4-35.5176.200000112.3R183 T184 S185 A191R183-A187 HydrophobicContact CB-CB 4.36Å; T184-A187 WeakPolarHBondContact O-CA 3.45Å; T184-A187 WeakPolarHBondContact O-CB 3.45Å; T184-A187 PolarHBondContact O-N 3.1Å; S185-A187 VanDerWaalsContact C-N 3.26Å; S185-A187 PolarHBondContact O-N 2.7Å; A187-A191 WeakPolarHBondContact O-CB 3.38Å; A187-A191 PolarHBondContact O-N 3.33Å
188S74.8Confident70.5Confident6 Ų661 Ų614%0.04229%0.288CS..Hα-helixtrans-60.6-55.8169.8-177.30000111.6E180 T184 S185 E190 A191 R192E180-S188 WeakPolarHBondContact OE2-CB 3.22Å; E180-S188 PolarHBondContact OE2-OG 2.93Å; T184-S188 PolarHBondContact O-N 3.02Å; T184-S188 VanDerWaalsContact O-N 3.08Å; S185-S188 WeakPolarHBondContact O-CB 3.35Å; S185-S188 PolarHBondContact O-N 2.76Å; S185-S188 VanDerWaalsContact O-N 3.15Å; S188-E190 VanDerWaalsContact C-N 3.27Å; S188-E190 PolarHBondContact O-N 2.86Å; S188-A191 WeakPolarHBondContact O-CA 3.37Å; S188-A191 WeakPolarHBondContact O-CB 3.49Å; S188-A191 PolarHBondContact O-N 2.95Å; S188-R192 PolarHBondContact O-N 3.27Å
189N79.1Confident71.5Confident0 Ų052.5 Ų52.50%026%0.256CS..Hα-helixtrans-56.7-39.7178.1-63.7-32.3000111.5T114 S185 Q193 V1191 E1193 Q1250T114-N189 HydrophobicContact CG2-CB 3.94Å; T114-N189 PolarHBondContact OG1-ND2 2.81Å; S185-N189 WeakPolarHBondContact O-CB 3.23Å; S185-N189 PolarHBondContact O-N 2.88Å; S185-N189 PolarHBondContact O-ND2 3.13Å; S185-N189 VanDerWaalsContact O-ND2 3.11Å; N189-Q193 WeakPolarHBondContact O-CB 3.29Å; N189-Q193 PolarHBondContact O-N 2.96Å; N189-V1191 HydrophobicContact CB-CB 4.42Å; N189-V1191 HydrophobicContact CB-CG1 3.76Å; N189-V1191 WeakPolarHBondContact OD1-CG1 3.45Å; N189-E1193 PolarHBondContact ND2-OE2 3.02Å; N189-Q1250 PolarHBondContact OD1-NE2 3.49Å
190E77.6Confident72.5Confident24 Ų2451.1 Ų51.111%0.11225%0.247CC..Hα-helixtrans-68.1-35.8173.9-177.2171.9-159.600112.7R88 R186 S188 R194R88-E190 VanDerWaalsContact CZ-CD 3.46Å; R88-E190 IonicContact CZ-OE1 3.87Å; R88-E190 IonicContact CZ-OE2 3.57Å; R88-E190 IonicContact NE-OE1 2.82Å; R88-E190 PolarHBondContact NE-OE1 3.25Å; R88-E190 IonicContact NE-OE2 3.74Å; R88-E190 IonicContact NH2-OE1 2.77Å; R88-E190 IonicContact NH2-OE2 3.88Å; R88-E190 PolarHBondContact NH2-OE2 3.43Å; R186-E190 WeakPolarHBondContact O-CB 3.5Å; R186-E190 PolarHBondContact O-N 3.43Å; R186-E190 VanDerWaalsContact O-N 3.1Å; S188-E190 VanDerWaalsContact C-N 3.27Å; S188-E190 PolarHBondContact O-N 2.86Å; E190-R194 HydrophobicContact CG-CG 4.4Å; E190-R194 WeakPolarHBondContact O-CB 3.18Å; E190-R194 WeakPolarHBondContact O-CG 3.42Å; E190-R194 PolarHBondContact O-N 3.38Å; E190-R194 IonicContact OE1-CZ 2.8Å; E190-R194 IonicContact OE1-NE 3.76Å; E190-R194 PolarHBondContact OE1-NE 3.03Å; E190-R194 IonicContact OE1-NH2 3.45Å; E190-R194 PolarHBondContact OE1-NH2 3.18Å; E190-R194 IonicContact OE2-NH2 4Å; E190-R194 PolarHBondContact OE2-NH2 2.86Å
191A79.3Confident74.1Confident21 Ų2152 Ų5217%0.17425%0.251CS..Hα-helixtrans-65.5-45.9174.600000111.7P174 A187 S188 R194 L195P174-A191 HydrophobicContact CB-CB 3.65Å; P174-A191 HydrophobicContact CG-CB 4Å; A187-A191 WeakPolarHBondContact O-CB 3.38Å; A187-A191 PolarHBondContact O-N 3.33Å; S188-A191 WeakPolarHBondContact O-CA 3.37Å; S188-A191 WeakPolarHBondContact O-CB 3.49Å; S188-A191 PolarHBondContact O-N 2.95Å; A191-R194 PolarHBondContact O-N 3.05Å; A191-L195 PolarHBondContact O-N 2.99Å
192R83.4Confident75.6Confident7 Ų742.8 Ų42.83%0.02621%0.211CC..Hα-helixtrans-57.4-53.5171.9-93.8-177.1163.8168.4-0111.6D173 P174 E175 S188 R194 L195 F196 V1191D173-R192 WeakPolarHBondContact OD1-CG 3.46Å; D173-R192 IonicContact OD1-CZ 2.87Å; D173-R192 IonicContact OD1-NE 3.65Å; D173-R192 PolarHBondContact OD1-NE 2.85Å; D173-R192 IonicContact OD1-NH2 3.72Å; D173-R192 IonicContact OD2-CZ 3.51Å; D173-R192 IonicContact OD2-NE 3.72Å; D173-R192 PolarHBondContact OD2-NE 2.78Å; D173-R192 IonicContact OD2-NH2 3.3Å; D173-R192 PolarHBondContact OD2-NH2 2.89Å; P174-R192 HydrophobicContact CB-CG 4.28Å; P174-R192 HydrophobicContact CG-CG 4.23Å; E175-R192 VanDerWaalsContact CB-CZ 3.42Å; E175-R192 IonicContact OE1-CZ 2.67Å; E175-R192 IonicContact OE1-NH1 3.44Å; E175-R192 PolarHBondContact OE1-NH1 2.86Å; E175-R192 IonicContact OE2-CZ 3.54Å; E175-R192 IonicContact OE2-NH1 2.95Å; E175-R192 PolarHBondContact OE2-NH1 2.96Å; E175-R192 IonicContact OE2-NH2 3.84Å; E175-R192 PolarHBondContact OE2-NH2 3.41Å; S188-R192 PolarHBondContact O-N 3.27Å; R192-R194 VanDerWaalsContact C-N 3.25Å; R192-R194 PolarHBondContact O-N 2.92Å; R192-L195 WeakPolarHBondContact O-CB 2.97Å; R192-L195 PolarHBondContact O-N 2.84Å; R192-F196 HydrophobicContact CB-CE2 3.69Å; R192-F196 HydrophobicContact CB-CZ 3.71Å; R192-F196 HydrophobicContact CG-CE2 4.18Å; R192-F196 HydrophobicContact CG-CZ 3.72Å; R192-F196 WeakPolarHBondContact O-CD1 3.4Å; R192-F196 WeakPolarHBondContact O-CD2 3.41Å; R192-F196 WeakPolarHBondContact O-CG 2.86Å; R192-F196 PolarHBondContact O-N 3.27Å; R192-V1191 HydrophobicContact CB-CG2 4.14Å
193Q83.7Confident77.3Confident14 Ų1437.1 Ų37.17%0.06518%0.182CC..Hα-helixtrans-56.5-37178.5-171.470.848.800112.6Y90 N189 S197 F1189 V1191Y90-Q193 HydrophobicContact CD2-CG 4.3Å; Y90-Q193 HydrophobicContact CE1-CG 4.36Å; Y90-Q193 HydrophobicContact CE2-CG 3.47Å; Y90-Q193 VanDerWaalsContact CE2-CG 3.47Å; Y90-Q193 WeakPolarHBondContact OH-CG 3.45Å; N189-Q193 WeakPolarHBondContact O-CB 3.29Å; N189-Q193 PolarHBondContact O-N 2.96Å; Q193-S197 PolarHBondContact O-N 3.12Å; Q193-S197 VanDerWaalsContact O-N 3.12Å; Q193-F1189 PolarHBondContact NE2-O 3.1Å; Q193-V1191 HydrophobicContact CB-CG2 4.46Å
194R80.6Confident78.6Confident103 Ų10333.8 Ų33.839%0.38917%0.169SC..Hα-helixtrans-70.5-41.3173.4-74.2172.9-170.51685.3112.8E190 A191 R192 F196 S197 R198E190-R194 HydrophobicContact CG-CG 4.4Å; E190-R194 WeakPolarHBondContact O-CB 3.18Å; E190-R194 WeakPolarHBondContact O-CG 3.42Å; E190-R194 PolarHBondContact O-N 3.38Å; E190-R194 IonicContact OE1-CZ 2.8Å; E190-R194 IonicContact OE1-NE 3.76Å; E190-R194 PolarHBondContact OE1-NE 3.03Å; E190-R194 IonicContact OE1-NH2 3.45Å; E190-R194 PolarHBondContact OE1-NH2 3.18Å; E190-R194 IonicContact OE2-NH2 4Å; E190-R194 PolarHBondContact OE2-NH2 2.86Å; A191-R194 PolarHBondContact O-N 3.05Å; R192-R194 VanDerWaalsContact C-N 3.25Å; R192-R194 PolarHBondContact O-N 2.92Å; R194-F196 VanDerWaalsContact C-N 3.34Å; R194-F196 PolarHBondContact O-N 3.24Å; R194-S197 WeakPolarHBondContact CA-OG 3.12Å; R194-S197 PolarHBondContact O-N 3.5Å; R194-S197 PolarHBondContact O-OG 3.03Å; R194-R198 PolarHBondContact O-N 3.01Å
195L81.7Confident79.8Confident22 Ų2231.7 Ų31.712%0.11515%0.152CC..Hα-helixtrans-56.6-50.2173.8169.359.4000110.2N171 D172 P174 A191 R192 S197 R198 L199 V233N171-L195 HydrophobicContact CB-CD1 3.58Å; N171-L195 HydrophobicContact CB-CD2 4.1Å; N171-L195 HydrophobicContact CB-CG 4.47Å; D172-L195 WeakPolarHBondContact O-CD2 3.18Å; P174-L195 HydrophobicContact CG-CB 4.43Å; P174-L195 HydrophobicContact CG-CD2 4.36Å; A191-L195 PolarHBondContact O-N 2.99Å; R192-L195 WeakPolarHBondContact O-CB 2.97Å; R192-L195 PolarHBondContact O-N 2.84Å; L195-S197 PolarHBondContact O-N 2.96Å; L195-R198 WeakPolarHBondContact O-CB 3.49Å; L195-R198 PolarHBondContact O-N 2.94Å; L195-L199 HydrophobicContact CD1-CD1 4.33Å; L195-L199 HydrophobicContact CD1-CG 4.45Å; L195-L199 HydrophobicContact CG-CD1 4.18Å; L195-L199 PolarHBondContact O-N 3.34Å; L195-V233 HydrophobicContact CD2-CG2 4.15Å
196F80.3Confident81Confident7 Ų729 Ų293%0.03113%0.133CC..Hα-helixtrans-63.2-32.3-179.6-47.4-28000111.9R192 R194 R198 L199 F225 V233 F1189 V1191 L1252R192-F196 HydrophobicContact CB-CE2 3.69Å; R192-F196 HydrophobicContact CB-CZ 3.71Å; R192-F196 HydrophobicContact CG-CE2 4.18Å; R192-F196 HydrophobicContact CG-CZ 3.72Å; R192-F196 WeakPolarHBondContact O-CD1 3.4Å; R192-F196 WeakPolarHBondContact O-CD2 3.41Å; R192-F196 WeakPolarHBondContact O-CG 2.86Å; R192-F196 PolarHBondContact O-N 3.27Å; R194-F196 VanDerWaalsContact C-N 3.34Å; R194-F196 PolarHBondContact O-N 3.24Å; F196-R198 VanDerWaalsContact C-N 3.27Å; F196-R198 PolarHBondContact O-N 2.7Å; F196-L199 HydrophobicContact CD1-CD1 4.02Å; F196-L199 PolarHBondContact O-N 2.88Å; F196-F225 AromaticContact CD1-CE2 3.62Å; F196-F225 HydrophobicContact CD1-CE2 3.62Å; F196-F225 AromaticContact CD1-CZ 3.79Å; F196-F225 HydrophobicContact CD1-CZ 3.79Å; F196-F225 AromaticContact CE1-CE2 3.73Å; F196-F225 HydrophobicContact CE1-CE2 3.73Å; F196-F225 AromaticContact CE1-CZ 3.4Å; F196-F225 HydrophobicContact CE1-CZ 3.4Å; F196-F225 HydrophobicContact CG-CE2 4.34Å; F196-F225 HydrophobicContact CZ-CE2 4.47Å; F196-F225 AromaticContact CZ-CZ 3.8Å; F196-F225 HydrophobicContact CZ-CZ 3.8Å; F196-V233 HydrophobicContact CE1-CG2 4.49Å; F196-F1189 HydrophobicContact CB-CB 3.64Å; F196-F1189 HydrophobicContact CB-CD1 4.33Å; F196-F1189 HydrophobicContact CB-CD2 3.83Å; F196-F1189 HydrophobicContact CB-CG 3.68Å; F196-F1189 HydrophobicContact CD2-CB 3.89Å; F196-F1189 HydrophobicContact CD2-CD1 4.42Å; F196-F1189 HydrophobicContact CD2-CG 4.3Å; F196-F1189 HydrophobicContact CG-CB 4.09Å; F196-F1189 HydrophobicContact CG-CD1 4.33Å; F196-F1189 HydrophobicContact CG-CG 4.13Å; F196-V1191 HydrophobicContact CD2-CG2 4.33Å; F196-V1191 HydrophobicContact CE2-CG2 3.88Å; F196-L1252 HydrophobicContact CD2-CD1 3.91Å; F196-L1252 HydrophobicContact CE2-CD1 3.49Å; F196-L1252 VanDerWaalsContact CE2-CD1 3.49Å; F196-L1252 HydrophobicContact CE2-CD2 4.13Å; F196-L1252 HydrophobicContact CE2-CG 4.48Å; F196-L1252 HydrophobicContact CZ-CD1 4.35Å; F196-L1252 HydrophobicContact CZ-CD2 4.18Å
197S73.6Confident81.9Confident13 Ų1326.8 Ų26.89%0.09113%0.125CC..Hα-helixtrans-68.9-17.4173.279.40000115.4Q193 R194 L195 R200Q193-S197 PolarHBondContact O-N 3.12Å; Q193-S197 VanDerWaalsContact O-N 3.12Å; R194-S197 WeakPolarHBondContact CA-OG 3.12Å; R194-S197 PolarHBondContact O-N 3.5Å; R194-S197 PolarHBondContact O-OG 3.03Å; L195-S197 PolarHBondContact O-N 2.96Å; S197-R200 PolarHBondContact O-NE 3.02Å; S197-R200 VanDerWaalsContact O-NE 3.13Å
198R74.6Confident82.8Confident134 Ų13426.5 Ų26.551%0.50612%0.118SC..Hα-helixtrans-96.4-15.8177.4-77.1179.4162.3168.9-6114.3E68 R194 L195 F196 R200 E201E68-R198 IonicContact OE1-CZ 3.27Å; E68-R198 IonicContact OE1-NE 3.44Å; E68-R198 PolarHBondContact OE1-NE 2.8Å; E68-R198 VanDerWaalsContact OE1-NE 3.13Å; E68-R198 IonicContact OE1-NH2 2.78Å; E68-R198 PolarHBondContact OE1-NH2 2.96Å; E68-R198 IonicContact OE2-NE 3.14Å; E68-R198 IonicContact OE2-NH2 2.7Å; R194-R198 PolarHBondContact O-N 3.01Å; L195-R198 WeakPolarHBondContact O-CB 3.49Å; L195-R198 PolarHBondContact O-N 2.94Å; F196-R198 VanDerWaalsContact C-N 3.27Å; F196-R198 PolarHBondContact O-N 2.7Å; R198-R200 PolarHBondContact O-N 3.21Å; R198-E201 PolarHBondContact O-N 2.78Å; R198-E201 VanDerWaalsContact O-N 3.12Å
199L72.9Confident83.6Confident11 Ų1129.4 Ų29.46%0.05813%0.13CC..THydrogen-bonded Turntrans-66-3.2177.5-76.2156.8000113V169 L195 F196 E201 L202 F225 V235V169-L199 HydrophobicContact CB-CD2 4.09Å; V169-L199 HydrophobicContact CG1-CD2 3.58Å; L195-L199 HydrophobicContact CD1-CD1 4.33Å; L195-L199 HydrophobicContact CD1-CG 4.45Å; L195-L199 HydrophobicContact CG-CD1 4.18Å; L195-L199 PolarHBondContact O-N 3.34Å; F196-L199 HydrophobicContact CD1-CD1 4.02Å; F196-L199 PolarHBondContact O-N 2.88Å; L199-E201 PolarHBondContact O-N 3.39Å; L199-E201 VanDerWaalsContact O-N 3.11Å; L199-L202 WeakPolarHBondContact O-CB 3.49Å; L199-L202 PolarHBondContact O-N 3.01Å; L199-F225 HydrophobicContact CD1-CE2 4.21Å; L199-V235 HydrophobicContact CD1-CG2 3.61Å; L199-V235 HydrophobicContact CD2-CB 4.12Å; L199-V235 HydrophobicContact CD2-CG2 3.69Å; L199-V235 HydrophobicContact CG-CG2 4.17Å
200R77.2Confident84.2Confident26 Ų2629.4 Ų29.410%0.09813%0.13CC..Hα-helixtrans-51.8-23.1161.6-58.7-173.6-147.5-71.2-8.6113.8D92 S197 R198 L202 Q203 R204D92-R200 IonicContact OD1-NH1 2.65Å; D92-R200 IonicContact OD2-CZ 2.65Å; D92-R200 IonicContact OD2-NE 3.76Å; D92-R200 IonicContact OD2-NH1 3.07Å; D92-R200 PolarHBondContact OD2-NH1 3.39Å; S197-R200 PolarHBondContact O-NE 3.02Å; S197-R200 VanDerWaalsContact O-NE 3.13Å; R198-R200 PolarHBondContact O-N 3.21Å; R200-L202 PolarHBondContact O-N 2.89Å; R200-Q203 WeakPolarHBondContact O-CB 3.14Å; R200-Q203 PolarHBondContact O-N 2.95Å; R200-R204 PolarHBondContact O-N 2.88Å; R200-R204 VanDerWaalsContact O-N 3.11Å
201E85.8Confident84.7Confident45 Ų4531.7 Ų31.721%0.2114%0.142CC..Hα-helixtrans-55.1-33.7173.3-154.1-157-172.200112.3R63 R198 L199 R204 K205R63-E201 IonicContact NH2-OE1 3.61Å; R63-E201 PolarHBondContact NH2-OE1 2.92Å; R198-E201 PolarHBondContact O-N 2.78Å; R198-E201 VanDerWaalsContact O-N 3.12Å; L199-E201 PolarHBondContact O-N 3.39Å; L199-E201 VanDerWaalsContact O-N 3.11Å; E201-R204 PolarHBondContact O-N 2.91Å; E201-R204 IonicContact OE1-NH2 2.86Å; E201-R204 PolarHBondContact OE1-NH2 2.75Å; E201-K205 VanDerWaalsContact CD-CE 3.41Å; E201-K205 VanDerWaalsContact CD-NZ 3.26Å; E201-K205 HydrophobicContact CG-CD 4.43Å; E201-K205 WeakPolarHBondContact O-CB 3.26Å; E201-K205 VanDerWaalsContact O-CG 3.27Å; E201-K205 WeakPolarHBondContact O-CG 3.39Å; E201-K205 PolarHBondContact O-N 3.11Å; E201-K205 WeakPolarHBondContact OE1-CE 3.38Å; E201-K205 IonicContact OE1-NZ 3.66Å; E201-K205 WeakPolarHBondContact OE2-CE 3.43Å; E201-K205 IonicContact OE2-NZ 3.69Å; E201-K205 PolarHBondContact OE2-NZ 3.24Å
202L90.2Very high85.1Confident1 Ų135.9 Ų35.91%0.00516%0.162CC..Hα-helixtrans-56.5-50.4172.5-175.678.5000111.2E167 V169 L199 R200 R204 K205 M206 L223 V235E167-L202 HydrophobicContact CB-CD1 3.7Å; E167-L202 HydrophobicContact CB-CG 4.48Å; E167-L202 HydrophobicContact CG-CD1 3.76Å; V169-L202 HydrophobicContact CB-CD1 4.19Å; V169-L202 HydrophobicContact CG2-CB 4.05Å; V169-L202 HydrophobicContact CG2-CD1 3.71Å; L199-L202 WeakPolarHBondContact O-CB 3.49Å; L199-L202 PolarHBondContact O-N 3.01Å; R200-L202 PolarHBondContact O-N 2.89Å; L202-R204 VanDerWaalsContact C-N 3.35Å; L202-R204 PolarHBondContact O-N 2.72Å; L202-K205 PolarHBondContact O-N 2.75Å; L202-M206 HydrophobicContact CG-SD 4.45Å; L202-M206 WeakPolarHBondContact O-CG 3.41Å; L202-M206 PolarHBondContact O-N 3.22Å; L202-L223 HydrophobicContact CD2-CD1 3.45Å; L202-L223 VanDerWaalsContact CD2-CD1 3.45Å; L202-V235 HydrophobicContact CD2-CG1 3.86Å
203Q89Confident85.2Confident14 Ų1436.8 Ų36.87%0.06517%0.167CC..Hα-helixtrans-63.2-40.5179.9-164.4-171.62.600111.1F146 R200 G207 N1185F146-Q203 HydrophobicContact CD1-CG 3.86Å; F146-Q203 HydrophobicContact CD2-CG 3.94Å; F146-Q203 HydrophobicContact CE1-CG 3.61Å; F146-Q203 HydrophobicContact CE2-CG 3.7Å; F146-Q203 HydrophobicContact CG-CG 4.04Å; F146-Q203 HydrophobicContact CZ-CG 3.54Å; F146-Q203 VanDerWaalsContact CZ-O 3.24Å; F146-Q203 WeakPolarHBondContact CZ-O 3.45Å; R200-Q203 WeakPolarHBondContact O-CB 3.14Å; R200-Q203 PolarHBondContact O-N 2.95Å; Q203-G207 PolarHBondContact O-N 2.67Å; Q203-N1185 VanDerWaalsContact NE2-CG 3.34Å; Q203-N1185 PolarHBondContact NE2-ND2 3.22Å; Q203-N1185 PolarHBondContact NE2-OD1 2.87Å; Q203-N1185 PolarHBondContact OE1-ND2 3.3Å
204R88.8Confident85.3Confident21 Ų2138.3 Ų38.38%0.07919%0.186CC..Hα-helixtrans-62.4-47.6174.3-175.3177.252.369.46.8111.5D67 R200 E201 L202 G207 L208D67-R204 IonicContact OD1-CZ 3.68Å; D67-R204 IonicContact OD1-NE 3.43Å; D67-R204 PolarHBondContact OD1-NE 3.48Å; D67-R204 IonicContact OD1-NH2 2.73Å; D67-R204 PolarHBondContact OD1-NH2 2.87Å; D67-R204 IonicContact OD2-CZ 3.51Å; D67-R204 IonicContact OD2-NE 3.49Å; D67-R204 PolarHBondContact OD2-NE 2.98Å; D67-R204 IonicContact OD2-NH2 3.22Å; D67-R204 PolarHBondContact OD2-NH2 2.74Å; R200-R204 PolarHBondContact O-N 2.88Å; R200-R204 VanDerWaalsContact O-N 3.11Å; E201-R204 PolarHBondContact O-N 2.91Å; E201-R204 IonicContact OE1-NH2 2.86Å; E201-R204 PolarHBondContact OE1-NH2 2.75Å; L202-R204 VanDerWaalsContact C-N 3.35Å; L202-R204 PolarHBondContact O-N 2.72Å; R204-G207 PolarHBondContact O-N 3.21Å; R204-G207 VanDerWaalsContact O-N 3.15Å; R204-L208 WeakPolarHBondContact O-CG 3.48Å; R204-L208 PolarHBondContact O-N 2.85Å
205K91.3Very high85.7Confident58 Ų5833.6 Ų33.625%0.25217%0.17SC..Hα-helixtrans-58.6-48.1177.9-74.8165170.4164.50112.1E167 V169 E201 L202 G207 L208 K209E167-K205 HydrophobicContact CG-CB 3.82Å; E167-K205 HydrophobicContact CG-CD 4.22Å; E167-K205 WeakPolarHBondContact OE2-CB 3.48Å; V169-K205 HydrophobicContact CG2-CD 4.29Å; E201-K205 VanDerWaalsContact CD-CE 3.41Å; E201-K205 VanDerWaalsContact CD-NZ 3.26Å; E201-K205 HydrophobicContact CG-CD 4.43Å; E201-K205 WeakPolarHBondContact O-CB 3.26Å; E201-K205 VanDerWaalsContact O-CG 3.27Å; E201-K205 WeakPolarHBondContact O-CG 3.39Å; E201-K205 PolarHBondContact O-N 3.11Å; E201-K205 WeakPolarHBondContact OE1-CE 3.38Å; E201-K205 IonicContact OE1-NZ 3.66Å; E201-K205 WeakPolarHBondContact OE2-CE 3.43Å; E201-K205 IonicContact OE2-NZ 3.69Å; E201-K205 PolarHBondContact OE2-NZ 3.24Å; L202-K205 PolarHBondContact O-N 2.75Å; K205-G207 VanDerWaalsContact C-N 3.31Å; K205-G207 PolarHBondContact O-N 3.08Å; K205-L208 PolarHBondContact O-N 3.42Å; K205-K209 PolarHBondContact O-N 3.13Å
206M92.6Very high86.2Confident0 Ų035 Ų350%018%0.177CC..Hα-helixtrans-58.2-41.7172.8-70.2-179.382.300112.2F146 I165 E167 L202 L208 K209 V210 L218 Y221 G237F146-M206 HydrophobicContact CE1-CB 4Å; F146-M206 HydrophobicContact CE1-SD 4.5Å; F146-M206 HydrophobicContact CZ-CB 4.05Å; I165-M206 HydrophobicContact CG2-CB 4.15Å; I165-M206 HydrophobicContact CG2-CE 3.89Å; I165-M206 HydrophobicContact CG2-CG 4.27Å; E167-M206 HydrophobicContact CB-CG 3.41Å; E167-M206 VanDerWaalsContact CB-CG 3.41Å; E167-M206 HydrophobicContact CB-SD 4.3Å; E167-M206 HydrophobicContact CG-CG 4.36Å; L202-M206 HydrophobicContact CG-SD 4.45Å; L202-M206 WeakPolarHBondContact O-CG 3.41Å; L202-M206 PolarHBondContact O-N 3.22Å; M206-L208 VanDerWaalsContact C-N 3.33Å; M206-L208 PolarHBondContact O-N 3.15Å; M206-K209 WeakPolarHBondContact O-CB 3.42Å; M206-K209 PolarHBondContact O-N 2.99Å; M206-V210 WeakPolarHBondContact O-CG2 3.45Å; M206-V210 PolarHBondContact O-N 3.33Å; M206-L218 HydrophobicContact CE-CD2 3.59Å; M206-Y221 HydrophobicContact CE-CD2 4.11Å; M206-Y221 HydrophobicContact CE-CE2 4.03Å; M206-Y221 HydrophobicContact SD-CD2 4.39Å; M206-Y221 HydrophobicContact SD-CE2 3.72Å; M206-G237 VanDerWaalsContact CE-O 3.24Å; M206-G237 WeakPolarHBondContact CE-O 3.42Å
207G91.5Very high86.8Confident0 Ų034.7 Ų34.70%018%0.176CC..Hα-helixtrans-63-38.5177.500000112.6Q203 R204 K205 V210 L211Q203-G207 PolarHBondContact O-N 2.67Å; R204-G207 PolarHBondContact O-N 3.21Å; R204-G207 VanDerWaalsContact O-N 3.15Å; K205-G207 VanDerWaalsContact C-N 3.31Å; K205-G207 PolarHBondContact O-N 3.08Å; G207-V210 PolarHBondContact O-N 3.07Å; G207-L211 WeakPolarHBondContact O-CG 3.43Å; G207-L211 PolarHBondContact O-N 3.28Å
208L90Very high87.8Confident29 Ų2934 Ų3415%0.15217%0.172CC..Hα-helixtrans-64.7-42.5172-65.7178.6000111.7H138 S140 R204 K205 M206 V210 L211 N212H138-L208 WeakPolarHBondContact O-CD2 3.43Å; S140-L208 WeakPolarHBondContact O-CD2 3.23Å; R204-L208 WeakPolarHBondContact O-CG 3.48Å; R204-L208 PolarHBondContact O-N 2.85Å; K205-L208 PolarHBondContact O-N 3.42Å; M206-L208 VanDerWaalsContact C-N 3.33Å; M206-L208 PolarHBondContact O-N 3.15Å; L208-V210 PolarHBondContact O-N 3.37Å; L208-L211 PolarHBondContact O-N 2.98Å; L208-N212 WeakPolarHBondContact O-CB 3.43Å; L208-N212 PolarHBondContact O-N 3.35Å; L208-N212 PolarHBondContact O-ND2 2.88Å; L208-N212 PolarHBondContact O-OD1 2.95Å
209K91.4Very high88.8Confident68 Ų6827.7 Ų27.730%0.29615%0.148SC..Hα-helixtrans-58.2-46173.1-74.2176.7162.3167.50111.9I165 Q166 E167 K205 M206 L211 N212 I213I165-K209 HydrophobicContact CD1-CB 3.8Å; I165-K209 HydrophobicContact CG2-CB 4.26Å; Q166-K209 WeakPolarHBondContact O-CD 3.33Å; Q166-K209 PolarHBondContact O-NZ 2.89Å; E167-K209 IonicContact OE1-NZ 3.01Å; E167-K209 PolarHBondContact OE1-NZ 2.95Å; E167-K209 VanDerWaalsContact OE2-CD 3.31Å; E167-K209 WeakPolarHBondContact OE2-CD 3.29Å; E167-K209 WeakPolarHBondContact OE2-CE 3.47Å; E167-K209 IonicContact OE2-NZ 3.63Å; E167-K209 PolarHBondContact OE2-NZ 2.97Å; K205-K209 PolarHBondContact O-N 3.13Å; M206-K209 WeakPolarHBondContact O-CB 3.42Å; M206-K209 PolarHBondContact O-N 2.99Å; K209-L211 PolarHBondContact O-N 2.59Å; K209-N212 PolarHBondContact O-N 3.16Å; K209-I213 PolarHBondContact O-N 3.22Å
210V91.7Very high89.8Confident0 Ų027.1 Ų27.10%015%0.145CC..Hα-helixtrans-57.5-45.7175.6171.40000111.8V144 I165 M206 G207 L208 I213 G214 G215 L218 A241V144-V210 HydrophobicContact CG1-CB 4.18Å; V144-V210 HydrophobicContact CG1-CG1 3.9Å; V144-V210 HydrophobicContact CG1-CG2 4.47Å; V144-V210 HydrophobicContact CG2-CB 4.49Å; V144-V210 HydrophobicContact CG2-CG1 4.31Å; I165-V210 HydrophobicContact CB-CG2 4.5Å; I165-V210 HydrophobicContact CG1-CG2 3.98Å; I165-V210 HydrophobicContact CG2-CG2 4.32Å; M206-V210 WeakPolarHBondContact O-CG2 3.45Å; M206-V210 PolarHBondContact O-N 3.33Å; G207-V210 PolarHBondContact O-N 3.07Å; L208-V210 PolarHBondContact O-N 3.37Å; V210-I213 WeakPolarHBondContact O-CG1 3.49Å; V210-I213 PolarHBondContact O-N 3.27Å; V210-G214 PolarHBondContact O-N 2.86Å; V210-G215 WeakPolarHBondContact O-CA 3.46Å; V210-G215 PolarHBondContact O-N 3.14Å; V210-L218 HydrophobicContact CG2-CB 4.46Å; V210-L218 HydrophobicContact CG2-CD1 3.92Å; V210-A241 HydrophobicContact CG2-CB 4.27Å
211L88.7Confident90.6Very high71 Ų7126.2 Ų26.237%0.37214%0.142SC..Hα-helixtrans-65.4-40.1178-70.9171.2000112.3V144 G207 L208 K209 I213 G214V144-L211 HydrophobicContact CG2-CD1 3.99Å; V144-L211 HydrophobicContact CG2-CD2 3.73Å; V144-L211 HydrophobicContact CG2-CG 3.52Å; G207-L211 WeakPolarHBondContact O-CG 3.43Å; G207-L211 PolarHBondContact O-N 3.28Å; L208-L211 PolarHBondContact O-N 2.98Å; K209-L211 PolarHBondContact O-N 2.59Å; L211-I213 VanDerWaalsContact C-N 3.28Å; L211-I213 PolarHBondContact O-N 3.5Å; L211-G214 PolarHBondContact O-N 2.82Å
212N87.6Confident91Very high109 Ų10925 Ų2558%0.58314%0.136SC*.Hα-helixtrans-64.3-30.6-178.7-70.3-18.1000112.9L208 K209 G214L208-N212 WeakPolarHBondContact O-CB 3.43Å; L208-N212 PolarHBondContact O-N 3.35Å; L208-N212 PolarHBondContact O-ND2 2.88Å; L208-N212 PolarHBondContact O-OD1 2.95Å; K209-N212 PolarHBondContact O-N 3.16Å; N212-G214 VanDerWaalsContact C-N 3.34Å
213I85.8Confident91Very high26 Ų2625.6 Ų25.613%0.13314%0.139CC..THydrogen-bonded Turntrans-90.18.8172.665.7175.9000113.7I162 I165 K209 V210 L211 A241 L293I162-I213 HydrophobicContact CB-CD1 4.46Å; I162-I213 HydrophobicContact CG2-CB 4.08Å; I162-I213 HydrophobicContact CG2-CD1 3.8Å; I162-I213 HydrophobicContact CG2-CG1 3.92Å; I162-I213 WeakPolarHBondContact CG2-O 3.29Å; I165-I213 HydrophobicContact CD1-CD1 3.56Å; I165-I213 HydrophobicContact CD1-CG1 4.45Å; I165-I213 HydrophobicContact CG1-CD1 3.89Å; K209-I213 PolarHBondContact O-N 3.22Å; V210-I213 WeakPolarHBondContact O-CG1 3.49Å; V210-I213 PolarHBondContact O-N 3.27Å; L211-I213 VanDerWaalsContact C-N 3.28Å; L211-I213 PolarHBondContact O-N 3.5Å; I213-A241 HydrophobicContact CD1-CB 3.62Å; I213-A241 HydrophobicContact CG1-CB 4.5Å; I213-L293 HydrophobicContact CG2-CB 4.4Å
214G86.3Confident91Very high46 Ų4626.1 Ų26.147%0.47414%0.141SC..THydrogen-bonded Turntrans83.210.6175.400000115.7V210 L211 N212V210-G214 PolarHBondContact O-N 2.86Å; L211-G214 PolarHBondContact O-N 2.82Å; N212-G214 VanDerWaalsContact C-N 3.34Å
215G89.2Confident90.9Very high5 Ų525.8 Ų25.85%0.05214%0.14CC..  trans-79.3169.7175.300000113.8V210V210-G215 WeakPolarHBondContact O-CA 3.46Å; V210-G215 PolarHBondContact O-N 3.14Å
216N91.2Very high90.7Very high50 Ų5023.6 Ų23.627%0.26713%0.132SC..SBendtrans-136.5-0.9171.973.3-6.4000113.4V144 R145 V242 R243 L244V144-N216 WeakPolarHBondContact CA-O 3.4Å; R145-N216 PolarHBondContact N-O 2.98Å; R145-N216 VanDerWaalsContact N-O 3.17Å; N216-V242 PolarHBondContact N-O 3.22Å; N216-V242 PolarHBondContact OD1-O 2.85Å; N216-R243 WeakPolarHBondContact OD1-CA 3.36Å; N216-L244 PolarHBondContact ND2-O 3.1Å; N216-L244 PolarHBondContact OD1-N 3.28Å
217S93.7Very high90.2Very high1 Ų125.1 Ų25.11%0.00714%0.14CC..EExtended strand (participates in β ladder)trans-152.6156176.1-60.30000111.5R145 V242R145-S217 CarbonylContact O-C 3.57Å; R145-S217 WeakPolarHBondContact O-CA 3.38Å; R145-S217 WeakPolarHBondContact O-CB 3.4Å; S217-V242 PolarHBondContact N-O 3.03Å; S217-V242 VanDerWaalsContact N-O 3.17Å; S217-V242 WeakPolarHBondContact O-CG2 3.42Å; S217-V242 PolarHBondContact O-N 2.97Å
218L94.4Very high89.9Confident0 Ų025.6 Ų25.60%014%0.142CC..EExtended strand (participates in β ladder)trans-118.7122.6174.4-166.178.5000108.4R145 F146 Y147 I165 M206 V210 Y221 T240 A241R145-L218 PolarHBondContact O-N 3.41Å; F146-L218 HydrophobicContact CD1-CB 4.18Å; F146-L218 HydrophobicContact CD1-CD2 3.65Å; F146-L218 HydrophobicContact CE1-CB 4.4Å; F146-L218 HydrophobicContact CE1-CD2 3.6Å; Y147-L218 WeakPolarHBondContact CB-O 3.41Å; Y147-L218 PolarHBondContact N-O 2.68Å; I165-L218 HydrophobicContact CB-CD1 3.87Å; I165-L218 HydrophobicContact CG1-CD1 4.4Å; I165-L218 HydrophobicContact CG2-CD1 4.26Å; M206-L218 HydrophobicContact CE-CD2 3.59Å; V210-L218 HydrophobicContact CG2-CB 4.46Å; V210-L218 HydrophobicContact CG2-CD1 3.92Å; L218-Y221 HydrophobicContact CD2-CD2 3.61Å; L218-Y221 HydrophobicContact CD2-CE2 4.45Å; L218-Y221 HydrophobicContact CD2-CG 4.11Å; L218-T240 WeakPolarHBondContact CA-O 3.32Å; L218-A241 HydrophobicContact CD1-CB 4.45Å
219I95.2Very high89.4Confident0 Ų025.2 Ų25.20%015%0.145CC..EExtended strand (participates in β ladder)trans-107.9148.4179.3-70.3178.1000109.9C149 T151 P153 Y221 T240 V242 L244 T300 I301C149-I219 WeakPolarHBondContact O-CG2 3.47Å; T151-I219 WeakPolarHBondContact O-CG2 3.26Å; P153-I219 HydrophobicContact CG-CD1 4.5Å; I219-Y221 PolarHBondContact O-N 2.74Å; I219-T240 PolarHBondContact N-O 3.35Å; I219-T240 PolarHBondContact O-N 2.89Å; I219-V242 HydrophobicContact CD1-CG1 4.34Å; I219-V242 HydrophobicContact CD1-CG2 3.72Å; I219-V242 HydrophobicContact CG1-CG2 3.84Å; I219-L244 HydrophobicContact CD1-CD1 4.25Å; I219-L244 HydrophobicContact CD1-CD2 4.13Å; I219-T300 PolarHBondContact O-OG1 2.77Å; I219-I301 HydrophobicContact CG2-CG1 3.87Å
220G94.1Very high88.7Confident0 Ų028 Ų280%016%0.159CC..EExtended strand (participates in β ladder)trans57.243.4-176.100000110.8Y147 C149 Q222 T300Y147-G220 PolarHBondContact O-N 2.93Å; Y147-G220 VanDerWaalsContact O-N 3.1Å; C149-G220 PolarHBondContact O-N 2.86Å; G220-Q222 PolarHBondContact O-N 2.93Å; G220-T300 WeakPolarHBondContact O-CB 3.45Å; G220-T300 PolarHBondContact O-OG1 2.87Å
221Y94.9Very high88.1Confident7 Ų728.8 Ų28.83%0.02716%0.164CC..EExtended strand (participates in β ladder)trans-64123.9173.9174.8-127.8000108.8F146 Y147 H148 M206 L218 I219 I238F146-Y221 HydrophobicContact CB-CD1 4.38Å; F146-Y221 HydrophobicContact CD1-CD1 4.11Å; F146-Y221 HydrophobicContact CD1-CD2 4.02Å; F146-Y221 HydrophobicContact CD1-CE1 4.27Å; F146-Y221 HydrophobicContact CD1-CE2 4.16Å; F146-Y221 AromaticContact CD1-CG 3.99Å; F146-Y221 HydrophobicContact CD1-CG 3.99Å; F146-Y221 HydrophobicContact CE1-CD2 4.46Å; F146-Y221 HydrophobicContact CE1-CE2 4.36Å; Y147-Y221 WeakPolarHBondContact O-CB 3.4Å; Y147-Y221 PolarHBondContact O-N 2.89Å; H148-Y221 AromaticContact CD2-CD1 3.83Å; H148-Y221 PolarHBondContact CD2-O 3Å; H148-Y221 VanDerWaalsContact CD2-O 3.27Å; H148-Y221 AromaticContact CE1-CD1 3.77Å; H148-Y221 AromaticContact NE2-CD1 3.32Å; H148-Y221 VanDerWaalsContact NE2-CD1 3.32Å; H148-Y221 WeakPolarHBondContact NE2-CD1 3.15Å; H148-Y221 AromaticContact NE2-CE1 3.66Å; M206-Y221 HydrophobicContact CE-CD2 4.11Å; M206-Y221 HydrophobicContact CE-CE2 4.03Å; M206-Y221 HydrophobicContact SD-CD2 4.39Å; M206-Y221 HydrophobicContact SD-CE2 3.72Å; L218-Y221 HydrophobicContact CD2-CD2 3.61Å; L218-Y221 HydrophobicContact CD2-CE2 4.45Å; L218-Y221 HydrophobicContact CD2-CG 4.11Å; I219-Y221 PolarHBondContact O-N 2.74Å; Y221-I238 WeakPolarHBondContact CA-O 3.44Å
222Q92.7Very high87.9Confident20 Ų2025.5 Ų25.59%0.09315%0.147CC..EExtended strand (participates in β ladder)trans-122.3123.3177.2-66.5171.387.100108.1G220 G237 I238 Y361 R362G220-Q222 PolarHBondContact O-N 2.93Å; Q222-G237 WeakPolarHBondContact O-CA 3.22Å; Q222-I238 HydrophobicContact CB-CD1 4.39Å; Q222-I238 HydrophobicContact CB-CG1 3.83Å; Q222-I238 PolarHBondContact N-O 3.17Å; Q222-I238 PolarHBondContact O-N 2.98Å; Q222-Y361 PolarHBondContact NE2-O 3.41Å; Q222-Y361 VanDerWaalsContact NE2-O 3.14Å; Q222-R362 VanDerWaalsContact OE1-NH1 3.16Å
223L90.6Very high87.8Confident13 Ų1320.3 Ų20.37%0.06812%0.119CC..EExtended strand (participates in β ladder)trans-105109.2176.7-177.562.2000109L202 V235 D1187 F1189L202-L223 HydrophobicContact CD2-CD1 3.45Å; L202-L223 VanDerWaalsContact CD2-CD1 3.45Å; L223-V235 HydrophobicContact CD1-CG1 3.57Å; L223-V235 HydrophobicContact CG-CG1 4.43Å; L223-D1187 HydrophobicContact CD2-CB 4.36Å; L223-F1189 HydrophobicContact CD2-CE2 4.16Å; L223-F1189 HydrophobicContact CD2-CZ 4.21Å
224H90Very high87.9Confident24 Ų2419.1 Ų19.111%0.11111%0.113CC..EExtended strand (participates in β ladder)trans-99.7146.7173.4-50.4-89.9000109.3V235 R236 E363H224-V235 WeakPolarHBondContact O-CA 3.5Å; H224-V235 WeakPolarHBondContact O-CG1 3.29Å; H224-R236 HydrophobicContact CB-CB 4.28Å; H224-R236 PolarHBondContact N-O 2.99Å; H224-R236 PolarHBondContact O-N 2.87Å; H224-E363 PolarHBondContact CE1-O 3.29Å; H224-E363 PolarHBondContact ND1-O 2.82Å
225F85.7Confident88.1Confident14 Ų1417 Ų176%0.0619%0.091CC..EExtended strand (participates in β ladder)trans-142.2129.4-178.3-180-75000106.3F196 L199 L227 V233 V234 V235 F1189 E1237 L1252F196-F225 AromaticContact CD1-CE2 3.62Å; F196-F225 HydrophobicContact CD1-CE2 3.62Å; F196-F225 AromaticContact CD1-CZ 3.79Å; F196-F225 HydrophobicContact CD1-CZ 3.79Å; F196-F225 AromaticContact CE1-CE2 3.73Å; F196-F225 HydrophobicContact CE1-CE2 3.73Å; F196-F225 AromaticContact CE1-CZ 3.4Å; F196-F225 HydrophobicContact CE1-CZ 3.4Å; F196-F225 HydrophobicContact CG-CE2 4.34Å; F196-F225 HydrophobicContact CZ-CE2 4.47Å; F196-F225 AromaticContact CZ-CZ 3.8Å; F196-F225 HydrophobicContact CZ-CZ 3.8Å; L199-F225 HydrophobicContact CD1-CE2 4.21Å; F225-L227 HydrophobicContact CD1-CD2 4.43Å; F225-L227 HydrophobicContact CD1-CG 4.39Å; F225-L227 HydrophobicContact CE1-CD2 3.43Å; F225-L227 VanDerWaalsContact CE1-CD2 3.43Å; F225-L227 HydrophobicContact CE1-CG 3.72Å; F225-L227 HydrophobicContact CZ-CD2 3.96Å; F225-V233 HydrophobicContact CD1-CG1 4.33Å; F225-V233 HydrophobicContact CD2-CG1 3.95Å; F225-V233 HydrophobicContact CE1-CG1 3.83Å; F225-V233 HydrophobicContact CE2-CG1 3.37Å; F225-V233 HydrophobicContact CG-CG1 4.42Å; F225-V233 HydrophobicContact CZ-CG1 3.32Å; F225-V234 WeakPolarHBondContact CA-O 3.44Å; F225-V235 HydrophobicContact CD2-CB 4.49Å; F225-V235 HydrophobicContact CD2-CG1 4.31Å; F225-V235 HydrophobicContact CD2-CG2 3.46Å; F225-V235 VanDerWaalsContact CD2-CG2 3.46Å; F225-V235 HydrophobicContact CE2-CG2 3.97Å; F225-V235 HydrophobicContact CG-CG2 4.27Å; F225-F1189 HydrophobicContact CB-CE1 4.08Å; F225-F1189 HydrophobicContact CB-CZ 4.32Å; F225-F1189 HydrophobicContact CD1-CE1 4.42Å; F225-F1189 HydrophobicContact CD2-CD1 4.24Å; F225-F1189 AromaticContact CD2-CE1 3.23Å; F225-F1189 HydrophobicContact CD2-CE1 3.23Å; F225-F1189 AromaticContact CD2-CZ 3.48Å; F225-F1189 HydrophobicContact CD2-CZ 3.48Å; F225-F1189 VanDerWaalsContact CD2-CZ 3.48Å; F225-F1189 HydrophobicContact CE2-CD1 4.15Å; F225-F1189 AromaticContact CE2-CE1 3.56Å; F225-F1189 HydrophobicContact CE2-CE1 3.56Å; F225-F1189 HydrophobicContact CE2-CZ 4.02Å; F225-F1189 AromaticContact CG-CE1 3.71Å; F225-F1189 HydrophobicContact CG-CE1 3.71Å; F225-F1189 HydrophobicContact CG-CZ 4.18Å; F225-F1189 HydrophobicContact CZ-CE1 4.25Å; F225-E1237 VanDerWaalsContact CD1-CD 3.49Å; F225-E1237 WeakPolarHBondContact CD1-OE1 3.42Å; F225-E1237 WeakPolarHBondContact CD1-OE2 3.24Å; F225-E1237 WeakPolarHBondContact CG-OE2 3.43Å; F225-L1252 HydrophobicContact CD1-CD2 4.38Å; F225-L1252 HydrophobicContact CE1-CD2 3.47Å; F225-L1252 VanDerWaalsContact CE1-CD2 3.47Å; F225-L1252 HydrophobicContact CZ-CD2 3.77Å
226D87.1Confident88.2Confident13 Ų1317 Ų177%0.079%0.089CC..EExtended strand (participates in β ladder)trans-130.3110.6-167.6-47.4-54.5000107.7E228 V234 R236 C365 I367D226-E228 PolarHBondContact O-N 2.81Å; D226-V234 HydrophobicContact CB-CB 4.26Å; D226-V234 PolarHBondContact N-O 3.04Å; D226-V234 PolarHBondContact O-N 3.44Å; D226-R236 VanDerWaalsContact CG-NH2 3.31Å; D226-R236 IonicContact OD1-CZ 3.32Å; D226-R236 IonicContact OD1-NH2 3.67Å; D226-R236 PolarHBondContact OD1-NH2 3.46Å; D226-R236 IonicContact OD2-CZ 3Å; D226-R236 VanDerWaalsContact OD2-CZ 3.24Å; D226-R236 IonicContact OD2-NE 3.58Å; D226-R236 PolarHBondContact OD2-NE 2.91Å; D226-R236 IonicContact OD2-NH2 3.14Å; D226-R236 PolarHBondContact OD2-NH2 3.42Å; D226-C365 WeakPolarHBondContact OD1-CB 3.47Å; D226-I367 HydrophobicContact CB-CD1 4Å
227L83.1Confident88.4Confident32 Ų3214.6 Ų14.617%0.1688%0.077CC..EExtended strand (participates in β ladder)trans-81.8101.8175.7-72.4-177.5000110.8F225 G229 V233 I367 V1239 L1252F225-L227 HydrophobicContact CD1-CD2 4.43Å; F225-L227 HydrophobicContact CD1-CG 4.39Å; F225-L227 HydrophobicContact CE1-CD2 3.43Å; F225-L227 VanDerWaalsContact CE1-CD2 3.43Å; F225-L227 HydrophobicContact CE1-CG 3.72Å; F225-L227 HydrophobicContact CZ-CD2 3.96Å; L227-G229 VanDerWaalsContact C-N 3.27Å; L227-G229 PolarHBondContact O-N 2.86Å; L227-V233 HydrophobicContact CD2-CG1 4.42Å; L227-V233 HydrophobicContact CD2-CG2 3.91Å; L227-I367 WeakPolarHBondContact O-CD1 3.41Å; L227-V1239 HydrophobicContact CD1-CB 4.37Å; L227-V1239 HydrophobicContact CD1-CG1 4.15Å; L227-V1239 HydrophobicContact CD1-CG2 4.05Å; L227-L1252 HydrophobicContact CD1-CD2 4.22Å
228E85.6Confident88.4Confident10 Ų1014.6 Ų14.65%0.0478%0.077CC..  trans-94.623.5179.9-52.2-174.3150.100112.4D226 E230 T231 G232 V234 L324 R335 I367D226-E228 PolarHBondContact O-N 2.81Å; E228-E230 PolarHBondContact O-N 2.9Å; E228-T231 WeakPolarHBondContact CB-OG1 3.35Å; E228-T231 PolarHBondContact O-N 3.01Å; E228-T231 PolarHBondContact O-OG1 2.9Å; E228-G232 CarbonylContact C-O 3.57Å; E228-G232 WeakPolarHBondContact CA-O 3.29Å; E228-G232 PolarHBondContact N-O 2.95Å; E228-V234 HydrophobicContact CG-CG2 4.41Å; E228-V234 WeakPolarHBondContact OE2-CG2 3.36Å; E228-L324 HydrophobicContact CB-CD1 4.11Å; E228-L324 HydrophobicContact CB-CD2 4.4Å; E228-L324 HydrophobicContact CG-CD1 4.37Å; E228-L324 HydrophobicContact CG-CD2 4.28Å; E228-R335 VanDerWaalsContact CD-NE 3.26Å; E228-R335 IonicContact OE1-CZ 3.98Å; E228-R335 IonicContact OE1-NE 3.51Å; E228-R335 PolarHBondContact OE1-NE 3.01Å; E228-R335 IonicContact OE1-NH2 3.49Å; E228-R335 IonicContact OE2-CZ 2.7Å; E228-R335 VanDerWaalsContact OE2-CZ 3.23Å; E228-R335 IonicContact OE2-NE 2.72Å; E228-R335 PolarHBondContact OE2-NE 3.44Å; E228-R335 IonicContact OE2-NH2 3.96Å; E228-R335 PolarHBondContact OE2-NH2 3.23Å; E228-I367 HydrophobicContact CG-CD1 3.76Å
229G79.3Confident88.5Confident21 Ų2114.6 Ų14.622%0.2168%0.077CC..G310 helixtrans57.5-121.5173.300000113.7H176 L227 T231 G232H176-G229 PolarHBondContact CD2-O 2.89Å; H176-G229 VanDerWaalsContact CD2-O 3.23Å; H176-G229 WeakPolarHBondContact NE2-CA 3.25Å; L227-G229 VanDerWaalsContact C-N 3.27Å; L227-G229 PolarHBondContact O-N 2.86Å; G229-T231 PolarHBondContact O-N 3.41Å; G229-G232 PolarHBondContact O-N 3.1Å
230E75.3Confident88.5Confident126 Ų12614.6 Ų14.659%0.5898%0.077SC*.G310 helixtrans-64.6-16.2179.2-66.9177132.300113.7H176 E228 K326H176-E230 HydrophobicContact CB-CG 4.3Å; H176-E230 WeakPolarHBondContact ND1-CG 3.43Å; E228-E230 PolarHBondContact O-N 2.9Å; E230-K326 WeakPolarHBondContact OE2-CD 3.08Å; E230-K326 WeakPolarHBondContact OE2-CE 3.41Å; E230-K326 IonicContact OE2-NZ 3.93Å; E230-K326 PolarHBondContact OE2-NZ 3.19Å
231T80.8Confident88.4Confident16 Ų1614.6 Ų14.610%0.0988%0.077CC..G310 helixtrans-88.5-9.3172.4680000113.4E228 G229E228-T231 WeakPolarHBondContact CB-OG1 3.35Å; E228-T231 PolarHBondContact O-N 3.01Å; E228-T231 PolarHBondContact O-OG1 2.9Å; G229-T231 PolarHBondContact O-N 3.41Å
232G83.9Confident88.3Confident2 Ų214.3 Ų14.32%0.0218%0.075CC..  trans112.2-150.9169.100000114.9N171 E228 G229N171-G232 WeakPolarHBondContact O-CA 3.27Å; E228-G232 CarbonylContact C-O 3.57Å; E228-G232 WeakPolarHBondContact CA-O 3.29Å; E228-G232 PolarHBondContact N-O 2.95Å; G229-G232 PolarHBondContact O-N 3.1Å
233V85.5Confident88.3Confident1 Ų119 Ų191%0.0069%0.092CC..EExtended strand (participates in β ladder)trans-118.7126.1-177.4-174.80000108.8M170 N171 D173 L195 F196 F225 L227 V235M170-V233 WeakPolarHBondContact CA-O 3.27Å; N171-V233 PolarHBondContact N-O 2.82Å; N171-V233 PolarHBondContact O-N 3.49Å; D173-V233 HydrophobicContact CB-CG2 3.66Å; L195-V233 HydrophobicContact CD2-CG2 4.15Å; F196-V233 HydrophobicContact CE1-CG2 4.49Å; F225-V233 HydrophobicContact CD1-CG1 4.33Å; F225-V233 HydrophobicContact CD2-CG1 3.95Å; F225-V233 HydrophobicContact CE1-CG1 3.83Å; F225-V233 HydrophobicContact CE2-CG1 3.37Å; F225-V233 HydrophobicContact CG-CG1 4.42Å; F225-V233 HydrophobicContact CZ-CG1 3.32Å; L227-V233 HydrophobicContact CD2-CG1 4.42Å; L227-V233 HydrophobicContact CD2-CG2 3.91Å; V233-V235 HydrophobicContact CG1-CG2 3.93Å
234V88.4Confident88.3Confident1 Ų118.8 Ų18.81%0.0069%0.091CC..EExtended strand (participates in β ladder)trans-107.6133171164.90000109.1L168 M170 F225 D226 E228 R236 R335L168-V234 HydrophobicContact CD1-CG1 4.1Å; L168-V234 HydrophobicContact CD2-CG1 3.99Å; L168-V234 HydrophobicContact CG-CG1 4.07Å; M170-V234 HydrophobicContact CB-CG2 4.34Å; M170-V234 HydrophobicContact CE-CG2 3.6Å; M170-V234 HydrophobicContact CG-CG2 4.19Å; F225-V234 WeakPolarHBondContact CA-O 3.44Å; D226-V234 HydrophobicContact CB-CB 4.26Å; D226-V234 PolarHBondContact N-O 3.04Å; D226-V234 PolarHBondContact O-N 3.44Å; E228-V234 HydrophobicContact CG-CG2 4.41Å; E228-V234 WeakPolarHBondContact OE2-CG2 3.36Å; V234-R236 HydrophobicContact CG1-CG 4.07Å; V234-R335 HydrophobicContact CG2-CG 4.21Å
235V90.2Very high88.3Confident1 Ų122.6 Ų22.61%0.00611%0.108CC..EExtended strand (participates in β ladder)trans-128.8126.7178.3-166.60000109.2L168 V169 L199 L202 L223 H224 F225 V233L168-V235 CarbonylContact C-O 3.51Å; L168-V235 WeakPolarHBondContact CA-O 3.2Å; V169-V235 PolarHBondContact N-O 2.78Å; V169-V235 PolarHBondContact O-N 3.02Å; L199-V235 HydrophobicContact CD1-CG2 3.61Å; L199-V235 HydrophobicContact CD2-CB 4.12Å; L199-V235 HydrophobicContact CD2-CG2 3.69Å; L199-V235 HydrophobicContact CG-CG2 4.17Å; L202-V235 HydrophobicContact CD2-CG1 3.86Å; L223-V235 HydrophobicContact CD1-CG1 3.57Å; L223-V235 HydrophobicContact CG-CG1 4.43Å; H224-V235 WeakPolarHBondContact O-CA 3.5Å; H224-V235 WeakPolarHBondContact O-CG1 3.29Å; F225-V235 HydrophobicContact CD2-CB 4.49Å; F225-V235 HydrophobicContact CD2-CG1 4.31Å; F225-V235 HydrophobicContact CD2-CG2 3.46Å; F225-V235 VanDerWaalsContact CD2-CG2 3.46Å; F225-V235 HydrophobicContact CE2-CG2 3.97Å; F225-V235 HydrophobicContact CG-CG2 4.27Å; V233-V235 HydrophobicContact CG1-CG2 3.93Å
236R91.6Very high88.3Confident4 Ų428.8 Ų28.82%0.01513%0.134CC..EExtended strand (participates in β ladder)trans-123.5127-173.6-67.6177.3-67.5112.83.4110.1E167 L168 H224 D226 V234 W339 E363E167-R236 WeakPolarHBondContact O-CA 3.45Å; L168-R236 HydrophobicContact CB-CG 4.36Å; L168-R236 HydrophobicContact CD1-CG 3.57Å; L168-R236 HydrophobicContact CG-CG 3.69Å; H224-R236 HydrophobicContact CB-CB 4.28Å; H224-R236 PolarHBondContact N-O 2.99Å; H224-R236 PolarHBondContact O-N 2.87Å; D226-R236 VanDerWaalsContact CG-NH2 3.31Å; D226-R236 IonicContact OD1-CZ 3.32Å; D226-R236 IonicContact OD1-NH2 3.67Å; D226-R236 PolarHBondContact OD1-NH2 3.46Å; D226-R236 IonicContact OD2-CZ 3Å; D226-R236 VanDerWaalsContact OD2-CZ 3.24Å; D226-R236 IonicContact OD2-NE 3.58Å; D226-R236 PolarHBondContact OD2-NE 2.91Å; D226-R236 IonicContact OD2-NH2 3.14Å; D226-R236 PolarHBondContact OD2-NH2 3.42Å; V234-R236 HydrophobicContact CG1-CG 4.07Å; R236-W339 VanDerWaalsContact CD-NE1 3.27Å; R236-W339 VanDerWaalsContact NH1-CZ2 3.28Å; R236-E363 IonicContact NH1-OE2 2.67Å; R236-E363 PolarHBondContact NH1-OE2 3.09Å
237G93.3Very high87.9Confident0 Ų035.1 Ų35.10%016%0.158CC..EExtended strand (participates in β ladder)trans-112.1126.6173.900000109.7Q166 E167 M206 Q222Q166-G237 CarbonylContact C-O 3.58Å; Q166-G237 WeakPolarHBondContact CA-O 3.41Å; E167-G237 PolarHBondContact N-O 3.35Å; E167-G237 PolarHBondContact O-N 3.32Å; M206-G237 VanDerWaalsContact CE-O 3.24Å; M206-G237 WeakPolarHBondContact CE-O 3.42Å; Q222-G237 WeakPolarHBondContact O-CA 3.22Å
238I95.1Very high87.2Confident2 Ų238 Ų381%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-127.6152.7174.765.6173.5000110.9F164 I165 Q166 Y221 Q222 T300 Y361 E363F164-I238 HydrophobicContact CE2-CB 3.86Å; F164-I238 HydrophobicContact CE2-CG2 4.37Å; F164-I238 HydrophobicContact CZ-CB 3.77Å; F164-I238 HydrophobicContact CZ-CG2 3.76Å; I165-I238 CarbonylContact O-C 3.54Å; I165-I238 WeakPolarHBondContact O-CA 3.41Å; Q166-I238 HydrophobicContact CB-CG2 4.38Å; Y221-I238 WeakPolarHBondContact CA-O 3.44Å; Q222-I238 HydrophobicContact CB-CD1 4.39Å; Q222-I238 HydrophobicContact CB-CG1 3.83Å; Q222-I238 PolarHBondContact N-O 3.17Å; Q222-I238 PolarHBondContact O-N 2.98Å; I238-T300 HydrophobicContact CD1-CG2 4.34Å; I238-T300 HydrophobicContact CG1-CG2 4.34Å; I238-Y361 HydrophobicContact CD1-CD1 4.37Å; I238-Y361 HydrophobicContact CD1-CE1 4.31Å; I238-E363 HydrophobicContact CD1-CB 4.28Å; I238-E363 HydrophobicContact CD1-CG 4.04Å
239G95.5Very high85.9Confident0 Ų041.5 Ų41.50%021%0.205CC..EExtended strand (participates in β ladder)trans-178.8174.3176.400000114.6I165 T300I165-G239 PolarHBondContact N-O 2.93Å; I165-G239 PolarHBondContact O-N 2.93Å; G239-T300 WeakPolarHBondContact CA-OG1 3.18Å
240T94.7Very high84.4Confident0 Ų046.1 Ų46.10%023%0.228CC..EExtended strand (participates in β ladder)trans-100.2115179.7-50.40000110.5L161 L218 I219 V242 L299 T300 I301L161-T240 HydrophobicContact CD1-CG2 3.62Å; L218-T240 WeakPolarHBondContact CA-O 3.32Å; I219-T240 PolarHBondContact N-O 3.35Å; I219-T240 PolarHBondContact O-N 2.89Å; T240-V242 HydrophobicContact CG2-CG1 4.43Å; T240-L299 HydrophobicContact CG2-CD2 3.68Å; T240-T300 PolarHBondContact N-OG1 3.4Å; T240-T300 PolarHBondContact OG1-N 3.46Å; T240-T300 PolarHBondContact OG1-OG1 3.47Å; T240-I301 HydrophobicContact CG2-CD1 3.97Å; T240-I301 HydrophobicContact CG2-CG1 4.18Å
241A93.8Very high82.7Confident0 Ų046.2 Ų46.20%024%0.238CC..EExtended strand (participates in β ladder)trans-77130.7175.900000111.6I162 G163 I165 V210 I213 L218I162-A241 HydrophobicContact CB-CB 4.44Å; I162-A241 WeakPolarHBondContact CB-O 3.16Å; I162-A241 PolarHBondContact N-O 3.06Å; G163-A241 PolarHBondContact N-O 3.44Å; G163-A241 PolarHBondContact O-N 2.79Å; I165-A241 HydrophobicContact CG1-CB 3.71Å; V210-A241 HydrophobicContact CG2-CB 4.27Å; I213-A241 HydrophobicContact CD1-CB 3.62Å; I213-A241 HydrophobicContact CG1-CB 4.5Å; L218-A241 HydrophobicContact CD1-CB 4.45Å
242V92.4Very high80.3Confident0 Ų050.6 Ų50.60%027%0.265CS..EExtended strand (participates in β ladder)trans-136.9162.5-178.8-70.50000110.8I158 S160 L161 N216 S217 I219 T240 L244I158-V242 HydrophobicContact CD1-CG1 4.12Å; I158-V242 HydrophobicContact CG1-CG1 4.39Å; S160-V242 WeakPolarHBondContact O-CA 3.21Å; L161-V242 HydrophobicContact CD1-CG1 3.74Å; N216-V242 PolarHBondContact N-O 3.22Å; N216-V242 PolarHBondContact OD1-O 2.85Å; S217-V242 PolarHBondContact N-O 3.03Å; S217-V242 VanDerWaalsContact N-O 3.17Å; S217-V242 WeakPolarHBondContact O-CG2 3.42Å; S217-V242 PolarHBondContact O-N 2.97Å; I219-V242 HydrophobicContact CD1-CG1 4.34Å; I219-V242 HydrophobicContact CD1-CG2 3.72Å; I219-V242 HydrophobicContact CG1-CG2 3.84Å; T240-V242 HydrophobicContact CG2-CG1 4.43Å; V242-L244 HydrophobicContact CG2-CD1 4.49Å; V242-L244 HydrophobicContact CG2-CD2 4.2Å; V242-L244 HydrophobicContact CG2-CG 3.88Å
243R91.7Very high78Confident119 Ų11955.7 Ų55.745%0.44930%0.298SS..EExtended strand (participates in β ladder)trans-105.8108160.5-164.3177.1-167.5-157.917.6109D159 S160 I162 N216D159-R243 HydrophobicContact CB-CB 4.2Å; D159-R243 HydrophobicContact CB-CG 4.24Å; D159-R243 WeakPolarHBondContact CB-O 3.32Å; D159-R243 PolarHBondContact N-O 2.75Å; D159-R243 WeakPolarHBondContact OD2-CD 3.3Å; D159-R243 IonicContact OD2-CZ 2.9Å; D159-R243 IonicContact OD2-NE 2.78Å; D159-R243 IonicContact OD2-NH1 2.86Å; D159-R243 PolarHBondContact OD2-NH1 3.49Å; S160-R243 PolarHBondContact O-N 2.88Å; S160-R243 VanDerWaalsContact OG-CB 3.26Å; S160-R243 WeakPolarHBondContact OG-CB 3.43Å; I162-R243 HydrophobicContact CD1-CB 4.36Å; N216-R243 WeakPolarHBondContact OD1-CA 3.36Å
244L91.6Very high75.7Confident8 Ų861.3 Ų61.34%0.04233%0.334CS..EExtended strand (participates in β ladder)trans-91.6137.5174.6-68.5-177.6000111.5Y147 P153 F156 V157 I158 N216 I219 V242Y147-L244 HydrophobicContact CD2-CD1 4.35Å; Y147-L244 HydrophobicContact CE2-CD1 3.8Å; P153-L244 HydrophobicContact CG-CD1 4.16Å; F156-L244 HydrophobicContact CB-CD1 4.3Å; F156-L244 HydrophobicContact CB-CD2 4.27Å; F156-L244 HydrophobicContact CD1-CB 4.08Å; F156-L244 HydrophobicContact CD1-CD1 4.43Å; F156-L244 HydrophobicContact CG-CD1 4.34Å; V157-L244 WeakPolarHBondContact O-CA 3.42Å; I158-L244 HydrophobicContact CG1-CD2 3.75Å; N216-L244 PolarHBondContact ND2-O 3.1Å; N216-L244 PolarHBondContact OD1-N 3.28Å; I219-L244 HydrophobicContact CD1-CD1 4.25Å; I219-L244 HydrophobicContact CD1-CD2 4.13Å; V242-L244 HydrophobicContact CG2-CD1 4.49Å; V242-L244 HydrophobicContact CG2-CD2 4.2Å; V242-L244 HydrophobicContact CG2-CG 3.88Å
245K89.7Confident73Confident105 Ų10568.5 Ų68.546%0.45737%0.373SS..EExtended strand (participates in β ladder)trans-112141.2164.1-74.8174175.5166.40108.6F156 V157 D159 Y247F156-K245 CarbonylContact C-O 3.6Å; F156-K245 WeakPolarHBondContact CA-O 3.35Å; V157-K245 HydrophobicContact CG2-CB 4.18Å; V157-K245 PolarHBondContact N-O 3Å; V157-K245 PolarHBondContact O-N 3.45Å; D159-K245 HydrophobicContact CB-CD 3.91Å; D159-K245 HydrophobicContact CB-CG 4.12Å; D159-K245 VanDerWaalsContact OD1-CE 3.28Å; D159-K245 WeakPolarHBondContact OD1-CE 3.37Å; D159-K245 IonicContact OD1-NZ 3.36Å; D159-K245 PolarHBondContact OD1-NZ 2.98Å; D159-K245 WeakPolarHBondContact OD2-CE 3.39Å; D159-K245 IonicContact OD2-NZ 2.73Å; D159-K245 PolarHBondContact OD2-NZ 3.18Å; K245-Y247 PolarHBondContact O-N 3.48Å
246K86.3Confident70.2Confident143 Ų14374.7 Ų74.762%0.62241%0.411SS*.EExtended strand (participates in β ladder)trans-70.6131173.2-166.1174.1-175.2174.80108.7G155 F156 S248G155-K246 WeakPolarHBondContact O-CG 3.2Å; F156-K246 HydrophobicContact CD1-CB 4.23Å; F156-K246 HydrophobicContact CE1-CB 4.03Å; F156-K246 HydrophobicContact CE1-CG 4.29Å; K246-S248 PolarHBondContact O-N 3.07Å
247Y78.2Confident67.4Low146 Ų14680.5 Ų80.557%0.57345%0.449SS*.  trans-66.9119.1177.4-173.5-107.9000109.4G155 V157 K245 P249G155-Y247 WeakPolarHBondContact O-CB 3.44Å; G155-Y247 PolarHBondContact O-N 2.99Å; V157-Y247 HydrophobicContact CG1-CD2 3.83Å; K245-Y247 PolarHBondContact O-N 3.48Å; Y247-P249 HydrophobicContact CE1-CB 4.07Å
248S67.7Low64.6Low93 Ų9387 Ų8765%0.6549%0.488SS*.  trans-113.3104.7172.3400000107.3K246 V250K246-S248 PolarHBondContact O-N 3.07Å; S248-V250 PolarHBondContact O-N 2.87Å
249P58.6Low61.5Low84 Ų8490.2 Ų90.255%0.54552%0.522SS..  trans-63.1123.8176.825.1-32.4000108.5Y247 T251Y247-P249 HydrophobicContact CE1-CB 4.07Å; P249-T251 VanDerWaalsContact C-N 3.32Å; P249-T251 PolarHBondContact O-N 3.28Å
250V47.1Very low58.5Low117 Ų11798 Ų9871%0.70956%0.562SS**  trans-78.186-178.5179.10000108.7S248 T252S248-V250 PolarHBondContact O-N 2.87Å; V250-T252 HydrophobicContact CG1-CG2 3.76Å; V250-T252 PolarHBondContact O-N 3.11Å
251T40Very low55.3Low128 Ų128102.4 Ų102.479%0.78559%0.593SS**  trans-7568.2173.5-46.90000110.4P249 P253P249-T251 VanDerWaalsContact C-N 3.32Å; P249-T251 PolarHBondContact O-N 3.28Å; T251-P253 WeakPolarHBondContact O-CD 3.21Å
252T31.3Very low52.4Low108 Ų108111.9 Ų111.966%0.66363%0.634SS**  trans-82.6107.7164.642.50000109.3V250V250-T252 HydrophobicContact CG1-CG2 3.76Å; V250-T252 PolarHBondContact O-N 3.11Å
253P34.9Very low49.2Very low110 Ų110119 Ų11971%0.71467%0.672SS**  trans-66.5142.9166.230-34.5000109.4T251 N255T251-P253 WeakPolarHBondContact O-CD 3.21Å; P253-N255 PolarHBondContact O-N 3.27Å; P253-N255 VanDerWaalsContact O-N 3.16Å
254P37.1Very low46.3Very low119 Ų119118.9 Ų118.977%0.77369%0.69SS**  trans-73.5108.7-18028.9-33.6000111.7
255N32.1Very low43.1Very low152 Ų152122.8 Ų122.881%0.81372%0.718SS**  trans48.8105.4155.3-60.6-23.7000119.4P253P253-N255 PolarHBondContact O-N 3.27Å; P253-N255 VanDerWaalsContact O-N 3.16Å
256T30.7Very low40.2Very low131 Ų131128.3 Ų128.380%0.80474%0.737SS**  trans-145.4115.1150-18.90000111.5T258T256-T258 PolarHBondContact O-N 3.16Å
257P33.9Very low37.3Very low125 Ų125127.6 Ų127.681%0.81274%0.74SS**  trans-101.376.5-17137.4-34.7000115.1
258T33.2Very low34.7Very low136 Ų136132.3 Ų132.383%0.83476%0.757SS**  trans-161.5149.6164.945.90000109.1T256T256-T258 PolarHBondContact O-N 3.16Å
259G30.3Very low32.6Very low70 Ų70135.8 Ų135.872%0.72276%0.763SS**  cis156.2113.8-3.600000112.3
260I33Very low31Very low165 Ų165136.4 Ų136.485%0.84677%0.77SS**  trans72105.8161.8-52.8176.2000119.1
261S28Very low30.1Very low92 Ų92136.8 Ų136.864%0.64378%0.775SS**  trans42.7136.414975.70000121.4
262K32.5Very low29.3Very low198 Ų198138.2 Ų138.286%0.86178%0.777SS**  -160.9165.865.4-88.1177.3179.2171.80114.1
263N25.3Very low29.1Very low150 Ų150136.8 Ų136.880%0.80278%0.776SS**  trans-59.7144.9-172.5-44.8-6.5000116.1
264S30.7Very low28.6Very low116 Ų116136.6 Ų136.681%0.81178%0.778SS**  trans-141.7138.3133.162.10000108.9
265S25Very low28.2Very low91 Ų91140.9 Ų140.964%0.63678%0.78SS**  trans-110.6123.9-163.9-51.70000112.7
266Y27.7Very low27.9Very low221 Ų221142.5 Ų142.587%0.86778%0.78SS**  trans-135.497.1160.1-79.6-73.8000109.3W268Y266-W268 PolarHBondContact O-N 2.93Å
267N25.2Very low27.6Very low127 Ų127145.4 Ų145.468%0.67978%0.784SS**  trans-70.9116179.3-80.218.3000110.7E269N267-E269 HydrophobicContact CB-CG 4.3Å
268W23.8Very low27.2Very low245 Ų245144.7 Ų144.793%0.92878%0.782SS**  trans-104.1100.8145.3-81.780.6000107.4Y266 S270Y266-W268 PolarHBondContact O-N 2.93Å; W268-S270 PolarHBondContact O-N 2.69Å
269E25Very low26.9Very low166 Ų166141.1 Ų141.178%0.77677%0.772SS**  trans-71.199.9178.9-67.4-174.6150.600109.7N267 P271N267-E269 HydrophobicContact CB-CG 4.3Å; E269-P271 WeakPolarHBondContact O-CD 3.33Å
270S24.4Very low26.6Very low98 Ų98144.6 Ų144.669%0.68578%0.779SS**  trans-68119.6162.7-66.20000108.1W268 N272W268-S270 PolarHBondContact O-N 2.69Å; S270-N272 PolarHBondContact O-N 2.84Å
271P27.7Very low26.4Very low125 Ų125144.6 Ų144.681%0.81278%0.775SS**  trans-7095.417628.2-33.1000109E269 A273E269-P271 WeakPolarHBondContact O-CD 3.33Å; P271-A273 VanDerWaalsContact C-N 3.32Å; P271-A273 PolarHBondContact O-N 3.05Å
272N24.7Very low26.3Very low157 Ų157147.2 Ų147.284%0.8478%0.782SS**  trans-63.195.6167.5-88.5-26.2000108.5S270 S274S270-N272 PolarHBondContact O-N 2.84Å; N272-S274 PolarHBondContact O-N 3.44Å
273A26.6Very low26Very low78 Ų78147.5 Ų147.565%0.64578%0.784SS**  trans-64.187.5170.400000109P271 Y275P271-A273 VanDerWaalsContact C-N 3.32Å; P271-A273 PolarHBondContact O-N 3.05Å; A273-Y275 VanDerWaalsContact C-N 3.34Å; A273-Y275 WeakPolarHBondContact O-CD2 3.47Å; A273-Y275 PolarHBondContact O-N 3Å
274S24.6Very low26.1Very low106 Ų106147.4 Ų147.474%0.74178%0.779SS**  trans-66.594.1174.6-1770000108.8N272 K276N272-S274 PolarHBondContact O-N 3.44Å; S274-K276 PolarHBondContact O-N 2.93Å
275Y28.5Very low26Very low209 Ų209146.9 Ų146.982%0.8278%0.775SS**  trans-60.6107.4166.3-85.4-96.3000108.2A273 E277A273-Y275 VanDerWaalsContact C-N 3.34Å; A273-Y275 WeakPolarHBondContact O-CD2 3.47Å; A273-Y275 PolarHBondContact O-N 3Å; Y275-E277 PolarHBondContact O-N 2.92Å
276K25.4Very low26.1Very low187 Ų187149.4 Ų149.481%0.81378%0.776SS**  trans-68.699163.9-79.5-172.7173.5-1780108.2S274 S278S274-K276 PolarHBondContact O-N 2.93Å; K276-S278 PolarHBondContact O-N 3.28Å
277E24.4Very low26.3Very low192 Ų192143.8 Ų143.890%0.89776%0.76SS**  trans-61102.4164.4-67.8-173.4123.300108.4Y275Y275-E277 PolarHBondContact O-N 2.92Å
278S24.7Very low26.5Very low110 Ų110141.6 Ų141.677%0.76975%0.753SS**  trans-150.462.1-175.5-65.70000109.2K276K276-S278 PolarHBondContact O-N 3.28Å
279G27.2Very low26.9Very low61 Ų61135.2 Ų135.263%0.62973%0.734SS**  trans167.565.2-175.800000112.9H281G279-H281 PolarHBondContact O-N 3.3Å
280V25.2Very low27.5Very low143 Ų143129.7 Ų129.787%0.86772%0.716SS**  trans-73.479.6172.7-174.80000109.3
281H28.8Very low28.1Very low164 Ų164131.3 Ų131.376%0.75972%0.717SS**  trans-86.4132.7155.2-84.6-87000108.6G279 F283G279-H281 PolarHBondContact O-N 3.3Å; H281-F283 PolarHBondContact O-N 2.86Å
282N24.3Very low28.5Very low148 Ų148132.8 Ų132.879%0.79171%0.712SS**  trans-64.196-179.5-72.4-28.6000110.8Q284N282-Q284 PolarHBondContact O-N 2.84Å
283F28.1Very low29.2Very low203 Ų203130 Ų13089%0.8970%0.697SS**  trans-71.478.3159.2-95.4-81.5000109.1H281H281-F283 PolarHBondContact O-N 2.86Å
284Q26.5Very low30.2Very low149 Ų149127.7 Ų127.770%0.69668%0.681SS**  trans-54.5136.9168.1-166.5162-10.500108.6N282 H286N282-Q284 PolarHBondContact O-N 2.84Å; Q284-H286 VanDerWaalsContact C-N 3.32Å; Q284-H286 PolarHBondContact O-CD2 3.32Å; Q284-H286 VanDerWaalsContact O-CD2 3.3Å; Q284-H286 PolarHBondContact O-N 2.74Å
285S27.7Very low31.7Very low105 Ų105127 Ų12773%0.73467%0.666SS**  trans-74.177.4-163.657.80000113.3I287S285-I287 PolarHBondContact O-N 3.42Å
286H27.4Very low33.4Very low143 Ų143119.7 Ų119.766%0.66264%0.638SS**  trans-75.871.2175.6-78.7-87000111.8Q284Q284-H286 VanDerWaalsContact C-N 3.32Å; Q284-H286 PolarHBondContact O-CD2 3.32Å; Q284-H286 VanDerWaalsContact O-CD2 3.3Å; Q284-H286 PolarHBondContact O-N 2.74Å
287I32.6Very low36.3Very low104 Ų104112.9 Ų112.953%0.53361%0.613SS.*  trans-108.948.4168.1-36.2-179.9000112.8S285 L391S285-I287 PolarHBondContact O-N 3.42Å; I287-L391 HydrophobicContact CB-CD2 4.36Å; I287-L391 HydrophobicContact CD1-CD1 3.67Å; I287-L391 HydrophobicContact CD1-CD2 4.11Å; I287-L391 HydrophobicContact CG2-CD1 4.47Å; I287-L391 HydrophobicContact CG2-CD2 4.28Å
288P29.1Very low39.6Very low81 Ų81103.7 Ų103.753%0.52657%0.57SS.*SBendtrans-90-35.2150.5-15.531.1000112.7A290 L291P288-A290 PolarHBondContact O-N 3.39Å; P288-L291 PolarHBondContact O-N 2.97Å
289Q32.1Very low42.9Very low111 Ų11198.9 Ų98.952%0.51954%0.536SS..Hα-helixtrans-75.6-22.2-151-148.1169.76.100114.8L291 E292 L293Q289-L291 PolarHBondContact O-N 3.36Å; Q289-E292 PolarHBondContact O-N 3.16Å; Q289-E292 VanDerWaalsContact O-N 3.15Å; Q289-L293 HydrophobicContact CG-CD1 3.97Å; Q289-L293 HydrophobicContact CG-CG 4.29Å; Q289-L293 WeakPolarHBondContact O-CB 2.92Å; Q289-L293 WeakPolarHBondContact O-CG 3.43Å; Q289-L293 PolarHBondContact O-N 2.75Å
290A38.8Very low46.1Very low50 Ų5096 Ų9641%0.41351%0.506SS..Hα-helixtrans-64.2-26176.500000113.3P288 G294P288-A290 PolarHBondContact O-N 3.39Å; A290-G294 PolarHBondContact O-N 2.87Å
291L36.2Very low49.4Very low132 Ų13289.2 Ų89.269%0.69147%0.465SS*.Hα-helixtrans-92.4-13.3175.4-93.5151.9000113.4P288 Q289P288-L291 PolarHBondContact O-N 2.97Å; Q289-L291 PolarHBondContact O-N 3.36Å
292E35Very low52.3Low155 Ų15581.7 Ų81.772%0.72443%0.431SS*.Hα-helixtrans-86.7-24.8167.9-68-178.4126.800112.1Q289Q289-E292 PolarHBondContact O-N 3.16Å; Q289-E292 VanDerWaalsContact O-N 3.15Å
293L40.1Very low55.5Low99 Ų9977.9 Ų77.952%0.51841%0.408SS..SBendtrans-95.9-12.5177.8-67.4169000113.9I213 Q289 E295I213-L293 HydrophobicContact CG2-CB 4.4Å; Q289-L293 HydrophobicContact CG-CD1 3.97Å; Q289-L293 HydrophobicContact CG-CG 4.29Å; Q289-L293 WeakPolarHBondContact O-CB 2.92Å; Q289-L293 WeakPolarHBondContact O-CG 3.43Å; Q289-L293 PolarHBondContact O-N 2.75Å; L293-E295 PolarHBondContact O-N 2.83Å; L293-E295 VanDerWaalsContact O-N 3.12Å
294G47.6Very low58.3Low29 Ų2968.4 Ų68.430%0.29937%0.367SS..  trans-78.387.6177.400000111.9A290 F296A290-G294 PolarHBondContact O-N 2.87Å; G294-F296 PolarHBondContact O-N 2.77Å
295E56.3Low61.2Low93 Ų9361.9 Ų61.944%0.43534%0.337SS..  trans-65.792.8179.7-71.3-167.6123.900112.6Q166 L293Q166-E295 PolarHBondContact NE2-OE2 2.88Å; L293-E295 PolarHBondContact O-N 2.83Å; L293-E295 VanDerWaalsContact O-N 3.12Å
296F64.8Low64Low55 Ų5561.3 Ų61.324%0.24133%0.33CS..SBendtrans70151168.9-48.9-80.3000116G294 F298 L340 T344 V347G294-F296 PolarHBondContact O-N 2.77Å; F296-F298 HydrophobicContact CB-CD2 3.56Å; F296-F298 HydrophobicContact CB-CE2 3.28Å; F296-F298 HydrophobicContact CB-CZ 4.15Å; F296-F298 HydrophobicContact CD2-CE2 4.24Å; F296-F298 AromaticContact CG-CE2 3.91Å; F296-F298 HydrophobicContact CG-CE2 3.91Å; F296-F298 PolarHBondContact O-N 2.83Å; F296-L340 HydrophobicContact CE2-CD1 3.49Å; F296-L340 VanDerWaalsContact CE2-CD1 3.49Å; F296-L340 HydrophobicContact CZ-CD1 3.71Å; F296-T344 HydrophobicContact CE1-CG2 4.07Å; F296-T344 HydrophobicContact CZ-CG2 3.87Å; F296-V347 HydrophobicContact CB-CG2 4.15Å; F296-V347 HydrophobicContact CD1-CB 4.39Å; F296-V347 HydrophobicContact CD1-CG1 4.37Å; F296-V347 HydrophobicContact CD1-CG2 3.9Å; F296-V347 HydrophobicContact CG-CG2 4.35Å
297P86.2Confident66.8Low43 Ų4356 Ų5628%0.27931%0.314SS..  trans-8852.4-170.938.3-37.7000112.5M350 D356 A357 V358P297-M350 HydrophobicContact CG-CE 3.83Å; P297-M350 HydrophobicContact CG-SD 3.79Å; P297-D356 VanDerWaalsContact CB-O 3.29Å; P297-D356 WeakPolarHBondContact CB-O 3.39Å; P297-D356 WeakPolarHBondContact CG-O 3.46Å; P297-A357 HydrophobicContact CB-CB 4.17Å; P297-V358 PolarHBondContact O-N 3.46Å
298F92.8Very high69.5Low0 Ų051 Ų510%029%0.289CS..BIsolated β-bridgetrans-89.7132.4175.9-58.5-66.9000111.5F164 F296 R343 I346 V347 V358 Y361F164-F298 HydrophobicContact CB-CB 4.07Å; F164-F298 HydrophobicContact CD1-CB 4.35Å; F164-F298 AromaticContact CD1-CD2 3.9Å; F164-F298 HydrophobicContact CD1-CD2 3.9Å; F164-F298 HydrophobicContact CD2-CB 3.64Å; F164-F298 HydrophobicContact CE1-CD2 4.14Å; F164-F298 HydrophobicContact CE2-CB 4.07Å; F164-F298 HydrophobicContact CG-CB 3.8Å; F164-F298 HydrophobicContact CG-CD2 4.16Å; F164-F298 HydrophobicContact CG-CG 4.48Å; F296-F298 HydrophobicContact CB-CD2 3.56Å; F296-F298 HydrophobicContact CB-CE2 3.28Å; F296-F298 HydrophobicContact CB-CZ 4.15Å; F296-F298 HydrophobicContact CD2-CE2 4.24Å; F296-F298 AromaticContact CG-CE2 3.91Å; F296-F298 HydrophobicContact CG-CE2 3.91Å; F296-F298 PolarHBondContact O-N 2.83Å; F298-R343 HydrophobicContact CE2-CB 3.66Å; F298-R343 HydrophobicContact CE2-CG 3.61Å; F298-R343 HydrophobicContact CZ-CB 3.64Å; F298-R343 HydrophobicContact CZ-CG 3.72Å; F298-I346 HydrophobicContact CE1-CB 4.39Å; F298-I346 HydrophobicContact CE1-CG2 3.86Å; F298-V347 HydrophobicContact CE1-CG2 4.2Å; F298-V347 HydrophobicContact CE2-CG2 4.33Å; F298-V347 HydrophobicContact CZ-CG2 3.7Å; F298-V358 HydrophobicContact CD1-CB 3.89Å; F298-V358 HydrophobicContact CD1-CG1 4.26Å; F298-V358 HydrophobicContact CD1-CG2 4.24Å; F298-V358 HydrophobicContact CE1-CB 4.35Å; F298-V358 HydrophobicContact CE1-CG2 4.23Å; F298-Y361 HydrophobicContact CB-CD1 4Å; F298-Y361 HydrophobicContact CB-CG 3.99Å; F298-Y361 HydrophobicContact CD1-CD1 4.19Å; F298-Y361 AromaticContact CD1-CD2 3.41Å; F298-Y361 HydrophobicContact CD1-CD2 3.41Å; F298-Y361 VanDerWaalsContact CD1-CD2 3.41Å; F298-Y361 HydrophobicContact CD1-CE1 4.39Å; F298-Y361 AromaticContact CD1-CE2 3.64Å; F298-Y361 HydrophobicContact CD1-CE2 3.64Å; F298-Y361 AromaticContact CD1-CG 3.71Å; F298-Y361 HydrophobicContact CD1-CG 3.71Å; F298-Y361 AromaticContact CE1-CD2 3.84Å; F298-Y361 HydrophobicContact CE1-CD2 3.84Å; F298-Y361 AromaticContact CE1-CE2 3.64Å; F298-Y361 HydrophobicContact CE1-CE2 3.64Å; F298-Y361 HydrophobicContact CG-CD1 4.15Å; F298-Y361 HydrophobicContact CG-CD2 4.18Å; F298-Y361 HydrophobicContact CG-CE1 4.33Å; F298-Y361 HydrophobicContact CG-CE2 4.36Å; F298-Y361 HydrophobicContact CG-CG 4.07Å; F298-Y361 HydrophobicContact CZ-CE2 4.34Å
299L94Very high72.4Confident9 Ų947.5 Ų47.55%0.04727%0.266CS..  trans-121118.4172.5-53.6179.5000109.1L161 T240 I301 V358 L359 A360 Y361 I383L161-L299 HydrophobicContact CD1-CD2 4.07Å; L161-L299 HydrophobicContact CD2-CD1 3.97Å; L161-L299 HydrophobicContact CD2-CD2 3.94Å; L161-L299 HydrophobicContact CG-CD2 4.17Å; T240-L299 HydrophobicContact CG2-CD2 3.68Å; L299-I301 VanDerWaalsContact C-N 3.25Å; L299-V358 PolarHBondContact N-O 2.96Å; L299-L359 CarbonylContact O-C 3.47Å; L299-A360 PolarHBondContact O-N 3.3Å; L299-Y361 PolarHBondContact O-N 2.99Å; L299-I383 HydrophobicContact CD1-CD1 3.47Å; L299-I383 VanDerWaalsContact CD1-CD1 3.47Å
300T95Very high75.1Confident0 Ų044.5 Ų44.50%025%0.253CS..  trans-77.7-1217258.10000112.9F164 I219 G220 I238 G239 T240 S302F164-T300 HydrophobicContact CE2-CG2 4.15Å; I219-T300 PolarHBondContact O-OG1 2.77Å; G220-T300 WeakPolarHBondContact O-CB 3.45Å; G220-T300 PolarHBondContact O-OG1 2.87Å; I238-T300 HydrophobicContact CD1-CG2 4.34Å; I238-T300 HydrophobicContact CG1-CG2 4.34Å; G239-T300 WeakPolarHBondContact CA-OG1 3.18Å; T240-T300 PolarHBondContact N-OG1 3.4Å; T240-T300 PolarHBondContact OG1-N 3.46Å; T240-T300 PolarHBondContact OG1-OG1 3.47Å; T300-S302 PolarHBondContact O-N 3.12Å; T300-S302 PolarHBondContact O-OG 3.02Å
301I93.3Very high77.5Confident1 Ų142.5 Ų42.51%0.00524%0.235CC..  trans-51.5121.2167.7-59174000108.4L161 I219 T240 L299 Q303 L359 A360L161-I301 HydrophobicContact CD1-CD1 4.03Å; I219-I301 HydrophobicContact CG2-CG1 3.87Å; T240-I301 HydrophobicContact CG2-CD1 3.97Å; T240-I301 HydrophobicContact CG2-CG1 4.18Å; L299-I301 VanDerWaalsContact C-N 3.25Å; I301-Q303 VanDerWaalsContact CG2-O 3.32Å; I301-Q303 WeakPolarHBondContact CG2-O 3.39Å; I301-L359 WeakPolarHBondContact O-CD2 3.41Å; I301-A360 WeakPolarHBondContact O-CA 3.13Å; I301-A360 PolarHBondContact O-N 2.99Å
302S91.3Very high80.1Confident5 Ų536.5 Ų36.54%0.03520%0.203CC..  trans-98.3-32.6-177.5-63.70000112.5C150 T300 P304 R362 S542 D543C150-S302 PolarHBondContact O-N 3.38Å; T300-S302 PolarHBondContact O-N 3.12Å; T300-S302 PolarHBondContact O-OG 3.02Å; S302-P304 WeakPolarHBondContact O-CD 3.43Å; S302-R362 PolarHBondContact OG-NH2 2.82Å; S302-S542 WeakPolarHBondContact O-CA 3.44Å; S302-S542 WeakPolarHBondContact O-CB 3.4Å; S302-D543 PolarHBondContact O-N 2.72Å
303Q90Very high82.6Confident69 Ų6929.9 Ų29.932%0.32218%0.177SC..SBendtrans-88.4117.2174.2-168.9-179.725.400110.9C150 T151 I301 D543C150-Q303 PolarHBondContact O-N 3.21Å; T151-Q303 HydrophobicContact CG2-CB 3.67Å; I301-Q303 VanDerWaalsContact CG2-O 3.32Å; I301-Q303 WeakPolarHBondContact CG2-O 3.39Å; Q303-D543 HydrophobicContact CB-CB 4.24Å; Q303-D543 HydrophobicContact CG-CB 4.37Å
304P87.7Confident85Confident3 Ų327.6 Ų27.62%0.01917%0.169CC..PPolyproline II helixtrans-65.6138.1178-20.533.9000111.9S302 I309 L359 D543 P545 P546S302-P304 WeakPolarHBondContact O-CD 3.43Å; P304-I309 HydrophobicContact CB-CD1 3.76Å; P304-I309 HydrophobicContact CB-CG1 4.38Å; P304-I309 HydrophobicContact CG-CD1 3.96Å; P304-L359 HydrophobicContact CG-CD2 4.16Å; P304-D543 VanDerWaalsContact CD-O 3.29Å; P304-D543 WeakPolarHBondContact CD-O 3.47Å; P304-D543 WeakPolarHBondContact CG-O 3.07Å; P304-P545 HydrophobicContact CB-CB 4.09Å; P304-P545 HydrophobicContact CB-CG 4.28Å; P304-P545 HydrophobicContact CG-CB 4.3Å; P304-P545 HydrophobicContact CG-CG 4.03Å; P304-P546 WeakPolarHBondContact O-CD 3.32Å
305L88.1Confident87.2Confident12 Ų1227.3 Ų27.36%0.06316%0.16CC..PPolyproline II helixtrans-83.6148.5179.1-51176.6000110.4I152 I158 G307 M308 W387I152-L305 HydrophobicContact CD1-CD1 3.85Å; I152-L305 HydrophobicContact CD1-CD2 3.75Å; I152-L305 HydrophobicContact CD1-CG 4.44Å; I152-L305 HydrophobicContact CG1-CD1 4.3Å; I152-L305 HydrophobicContact CG1-CD2 3.84Å; I158-L305 HydrophobicContact CD1-CD1 3.86Å; L305-G307 PolarHBondContact O-N 2.98Å; L305-G307 VanDerWaalsContact O-N 3.15Å; L305-M308 HydrophobicContact CB-CB 4.05Å; L305-M308 HydrophobicContact CB-SD 3.92Å; L305-M308 HydrophobicContact CD1-SD 3.84Å; L305-M308 HydrophobicContact CG-CE 4.38Å; L305-M308 HydrophobicContact CG-SD 3.85Å; L305-M308 WeakPolarHBondContact O-CB 3.33Å; L305-M308 PolarHBondContact O-N 3.4Å; L305-W387 HydrophobicContact CB-CH2 3.66Å; L305-W387 HydrophobicContact CB-CZ2 3.8Å; L305-W387 HydrophobicContact CB-CZ3 4.26Å; L305-W387 HydrophobicContact CD1-CE3 4.03Å; L305-W387 HydrophobicContact CD1-CH2 3.65Å; L305-W387 HydrophobicContact CD1-CZ2 4.46Å; L305-W387 HydrophobicContact CD1-CZ3 3.4Å; L305-W387 VanDerWaalsContact CD1-CZ3 3.4Å; L305-W387 HydrophobicContact CG-CH2 4.29Å; L305-W387 HydrophobicContact CG-CZ3 4.48Å
306P85.7Confident89.1Confident93 Ų9323.3 Ų23.360%0.60414%0.142SC*.THydrogen-bonded Turntrans-54.7119.4-175.1-25.131.2000113.4M308 P546P306-M308 VanDerWaalsContact C-N 3.27Å; P306-M308 PolarHBondContact O-N 2.81Å; P306-P546 HydrophobicContact CB-CG 4.17Å; P306-P546 HydrophobicContact CG-CG 3.79Å
307G86Confident90.5Very high31 Ų3122.6 Ų22.632%0.3215%0.146SC..THydrogen-bonded Turntrans68.422.6-17900000114.2L305 N384 W387 E547L305-G307 PolarHBondContact O-N 2.98Å; L305-G307 VanDerWaalsContact O-N 3.15Å; G307-N384 WeakPolarHBondContact O-CB 3.49Å; G307-N384 PolarHBondContact O-ND2 2.92Å; G307-W387 PolarHBondContact O-NE1 2.86Å; G307-E547 VanDerWaalsContact CA-OE1 3.24Å; G307-E547 WeakPolarHBondContact CA-OE1 3.47Å; G307-E547 PolarHBondContact N-OE1 3.36Å; G307-E547 PolarHBondContact N-OE2 2.79Å
308M89.1Confident90.9Very high0 Ų020.8 Ų20.80%013%0.134CC..  trans-80.1-35.4173.9-171173.778.700112.4L305 P306 L359 I383 N384 W387L305-M308 HydrophobicContact CB-CB 4.05Å; L305-M308 HydrophobicContact CB-SD 3.92Å; L305-M308 HydrophobicContact CD1-SD 3.84Å; L305-M308 HydrophobicContact CG-CE 4.38Å; L305-M308 HydrophobicContact CG-SD 3.85Å; L305-M308 WeakPolarHBondContact O-CB 3.33Å; L305-M308 PolarHBondContact O-N 3.4Å; P306-M308 VanDerWaalsContact C-N 3.27Å; P306-M308 PolarHBondContact O-N 2.81Å; M308-L359 HydrophobicContact CE-CD1 3.49Å; M308-L359 VanDerWaalsContact CE-CD1 3.49Å; M308-L359 HydrophobicContact CE-CG 4.18Å; M308-I383 HydrophobicContact CG-CG2 4.4Å; M308-I383 WeakPolarHBondContact O-CA 3.45Å; M308-N384 PolarHBondContact O-N 2.84Å; M308-W387 HydrophobicContact CB-CD2 4.4Å; M308-W387 HydrophobicContact CB-CG 4.41Å; M308-W387 HydrophobicContact CB-CZ2 4.47Å; M308-W387 HydrophobicContact CG-CB 4.49Å; M308-W387 HydrophobicContact CG-CD2 4.14Å; M308-W387 HydrophobicContact CG-CG 3.93Å; M308-W387 HydrophobicContact SD-CD2 4.49Å
309I90.9Very high91.1Very high8 Ų822.8 Ų22.84%0.04114%0.143CC..EExtended strand (participates in β ladder)trans-92.4127.5177.1-58.7173.5000108.6P304 H311 F312 L359 V381 I503 P545P304-I309 HydrophobicContact CB-CD1 3.76Å; P304-I309 HydrophobicContact CB-CG1 4.38Å; P304-I309 HydrophobicContact CG-CD1 3.96Å; I309-H311 VanDerWaalsContact CG2-C 3.5Å; I309-H311 WeakPolarHBondContact CG2-O 2.94Å; I309-F312 HydrophobicContact CD1-CE1 3.9Å; I309-F312 HydrophobicContact CD1-CE2 4.3Å; I309-F312 HydrophobicContact CD1-CZ 3.71Å; I309-L359 HydrophobicContact CD1-CD1 3.84Å; I309-L359 HydrophobicContact CG1-CD1 3.88Å; I309-V381 HydrophobicContact CD1-CG1 4.05Å; I309-V381 HydrophobicContact CG1-CB 4.46Å; I309-V381 HydrophobicContact CG1-CG1 4.16Å; I309-V381 HydrophobicContact CG2-CB 4.23Å; I309-V381 HydrophobicContact CG2-CG1 4.08Å; I309-I503 HydrophobicContact CB-CD1 3.95Å; I309-I503 HydrophobicContact CB-CG1 4.24Å; I309-I503 HydrophobicContact CD1-CD1 4.48Å; I309-I503 HydrophobicContact CG2-CD1 4.05Å; I309-I503 HydrophobicContact CG2-CG1 3.81Å; I309-P545 HydrophobicContact CD1-CG 4.11Å
310L88.5Confident91.1Very high47 Ų4723.3 Ų23.325%0.24615%0.148CC..EExtended strand (participates in β ladder)trans-83.3-46.9168.2-68.2177.6000110.8Q382 N384 H502L310-Q382 HydrophobicContact CB-CB 4.31Å; L310-Q382 HydrophobicContact CB-CG 4.38Å; L310-Q382 HydrophobicContact CD1-CG 4.12Å; L310-Q382 PolarHBondContact N-O 2.79Å; L310-N384 HydrophobicContact CD1-CB 4.5Å; L310-N384 HydrophobicContact CD2-CB 3.88Å; L310-N384 HydrophobicContact CG-CB 3.92Å; L310-H502 PolarHBondContact O-CE1 2.95Å; L310-H502 PolarHBondContact O-ND1 2.83Å
311H88.2Confident91.2Very high8 Ų824.4 Ų24.44%0.03715%0.154CC..EExtended strand (participates in β ladder)trans-152.4153.5169.763.4-93.2000111.2I309 Q382 I503 H505I309-H311 VanDerWaalsContact CG2-C 3.5Å; I309-H311 WeakPolarHBondContact CG2-O 2.94Å; H311-Q382 WeakPolarHBondContact CE1-CB 3.24Å; H311-Q382 PolarHBondContact CE1-OE1 3.05Å; H311-Q382 PolarHBondContact ND1-OE1 3.07Å; H311-Q382 VanDerWaalsContact ND1-OE1 3.13Å; H311-Q382 PolarHBondContact O-N 2.99Å; H311-I503 WeakPolarHBondContact CA-O 3.25Å; H311-H505 VanDerWaalsContact CB-O 3.28Å; H311-H505 WeakPolarHBondContact CB-O 3.21Å
312F91Very high91.1Very high7 Ų726.6 Ų26.63%0.03116%0.163CC..EExtended strand (participates in β ladder)trans-77.4141.7166.8-75.9-81000111.5I309 T379 V381 I503 L538 P545 F605I309-F312 HydrophobicContact CD1-CE1 3.9Å; I309-F312 HydrophobicContact CD1-CE2 4.3Å; I309-F312 HydrophobicContact CD1-CZ 3.71Å; F312-T379 HydrophobicContact CD1-CG2 3.87Å; F312-T379 HydrophobicContact CE1-CG2 4.07Å; F312-V381 HydrophobicContact CD1-CG1 3.79Å; F312-V381 HydrophobicContact CE1-CG1 4.13Å; F312-I503 HydrophobicContact CD2-CG1 3.92Å; F312-I503 HydrophobicContact CE2-CD1 3.96Å; F312-I503 HydrophobicContact CE2-CG1 3.84Å; F312-I503 PolarHBondContact N-O 3.22Å; F312-I503 VanDerWaalsContact N-O 3.12Å; F312-L538 HydrophobicContact CB-CD1 3.81Å; F312-L538 HydrophobicContact CB-CD2 4.32Å; F312-L538 HydrophobicContact CD1-CD1 4.24Å; F312-L538 HydrophobicContact CD1-CD2 4.41Å; F312-L538 HydrophobicContact CD2-CD2 3.69Å; F312-L538 HydrophobicContact CE2-CD2 4.02Å; F312-L538 HydrophobicContact CG-CD1 4.01Å; F312-L538 HydrophobicContact CG-CD2 3.91Å; F312-P545 HydrophobicContact CE2-CG 3.77Å; F312-P545 HydrophobicContact CZ-CG 3.56Å; F312-F605 HydrophobicContact CE1-CE1 4.45Å; F312-F605 AromaticContact CZ-CE1 3.9Å; F312-F605 HydrophobicContact CZ-CE1 3.9Å; F312-F605 HydrophobicContact CZ-CZ 4.43Å
313G88.6Confident91.1Very high16 Ų1629.9 Ų29.917%0.16518%0.179CC..EExtended strand (participates in β ladder)trans-92.5-92.4163.200000110.6A380G313-A380 WeakPolarHBondContact CA-O 3.2Å; G313-A380 PolarHBondContact N-O 2.93Å
314S89.9Confident90.9Very high51 Ų5126.8 Ų26.836%0.35717%0.165SC..EExtended strand (participates in β ladder)trans-152.1162.3179.2-177.10000111A380S314-A380 WeakPolarHBondContact O-CB 3.45Å; S314-A380 PolarHBondContact O-N 2.89Å
315L94.7Very high90.4Very high23 Ų2329.7 Ų29.712%0.1218%0.18CC..EExtended strand (participates in β ladder)trans-55.5138152.4-174.978.6000109.8F539 L607 Y609L315-F539 HydrophobicContact CB-CB 4.01Å; L315-F539 HydrophobicContact CD2-CB 4.33Å; L315-F539 HydrophobicContact CD2-CD2 4.43Å; L315-F539 PolarHBondContact N-O 3.15Å; L315-L607 HydrophobicContact CD1-CD2 4.37Å; L315-L607 HydrophobicContact CD2-CD2 3.7Å; L315-Y609 HydrophobicContact CD2-CE2 4.1Å; L315-Y609 WeakPolarHBondContact CD2-OH 3.39Å
316I94.6Very high89.6Confident9 Ų934.7 Ų34.75%0.04620%0.201CC..EExtended strand (participates in β ladder)trans-129.4139.3172.6-55.6-173.4000108.4I346 H349 M350 I353 Y377 G378 A380I316-I346 HydrophobicContact CB-CG2 4.49Å; I316-I346 HydrophobicContact CG2-CB 4.31Å; I316-I346 HydrophobicContact CG2-CG1 4.16Å; I316-I346 HydrophobicContact CG2-CG2 3.97Å; I316-H349 HydrophobicContact CD1-CB 3.85Å; I316-H349 HydrophobicContact CG2-CB 3.71Å; I316-M350 VanDerWaalsContact CD1-CA 3.45Å; I316-M350 HydrophobicContact CD1-CB 3.96Å; I316-M350 VanDerWaalsContact CD1-N 3.3Å; I316-I353 HydrophobicContact CD1-CD1 4.02Å; I316-I353 HydrophobicContact CG1-CD1 4.18Å; I316-Y377 CarbonylContact O-C 3.57Å; I316-Y377 VanDerWaalsContact O-CA 3.27Å; I316-Y377 WeakPolarHBondContact O-CA 3.36Å; I316-Y377 WeakPolarHBondContact O-CB 3.34Å; I316-G378 PolarHBondContact N-O 2.87Å; I316-G378 PolarHBondContact O-N 2.98Å; I316-G378 VanDerWaalsContact O-O 3.1Å; I316-A380 HydrophobicContact CD1-CB 3.49Å; I316-A380 VanDerWaalsContact CD1-CB 3.49Å; I316-A380 HydrophobicContact CG1-CB 3.98Å
317A94.7Very high88.8Confident40 Ų4037.3 Ų37.333%0.33121%0.21SC..EExtended strand (participates in β ladder)trans-139.3153.7171.800000110.3S376A317-S376 CarbonylContact C-O 3.52Å; A317-S376 VanDerWaalsContact CA-O 3.31Å; A317-S376 WeakPolarHBondContact CA-O 3.09Å
318S95.1Very high87.7Confident5 Ų539.1 Ų39.14%0.03522%0.218CC..EExtended strand (participates in β ladder)trans-133.1149.3169.2164.40000108.2L342 E345 Q375 S376S318-L342 WeakPolarHBondContact OG-CD2 3.34Å; S318-E345 WeakPolarHBondContact CB-OE2 3.48Å; S318-E345 PolarHBondContact OG-OE2 2.84Å; S318-Q375 WeakPolarHBondContact O-CA 3.48Å; S318-S376 PolarHBondContact N-O 3.45Å; S318-S376 PolarHBondContact O-N 2.67Å
319K95.7Very high86.3Confident41 Ų4143.5 Ų43.518%0.17825%0.247CC..EExtended strand (participates in β ladder)trans-139.4146.8176.4-70.3-170.7-176.763.10110.8L374 Q375 L581 D585 I611K319-L374 CarbonylContact C-O 3.5Å; K319-L374 VanDerWaalsContact CA-O 3.26Å; K319-L374 WeakPolarHBondContact CA-O 3.46Å; K319-Q375 VanDerWaalsContact CE-OE1 3.23Å; K319-Q375 HydrophobicContact CG-CB 4.03Å; K319-Q375 HydrophobicContact CG-CG 3.95Å; K319-L581 HydrophobicContact CD-CD1 4.45Å; K319-L581 HydrophobicContact CD-CD2 4.08Å; K319-D585 WeakPolarHBondContact CE-OD2 3.32Å; K319-D585 IonicContact NZ-OD1 3.11Å; K319-D585 PolarHBondContact NZ-OD1 2.92Å; K319-D585 IonicContact NZ-OD2 3.1Å; K319-D585 PolarHBondContact NZ-OD2 2.9Å; K319-I611 HydrophobicContact CD-CD1 4.43Å
320S95.5Very high84.9Confident21 Ų2144.1 Ų44.115%0.14725%0.253CS..EExtended strand (participates in β ladder)trans-144.8137.3172.4-164.80000110.8R322 L374S320-R322 VanDerWaalsContact OG-CZ 3.32Å; S320-R322 PolarHBondContact OG-NE 2.87Å; S320-R322 PolarHBondContact OG-NH2 2.72Å; S320-L374 PolarHBondContact N-O 2.98Å; S320-L374 PolarHBondContact O-N 2.96Å
321V96Very high84.2Confident23 Ų2343.4 Ų43.414%0.13926%0.257CS..EExtended strand (participates in β ladder)trans-97133.6172.2-172.70000108.1V371 C372 I373 A574 L577 S578 L581V321-V371 HydrophobicContact CG1-CG1 3.42Å; V321-V371 VanDerWaalsContact CG1-CG1 3.42Å; V321-C372 WeakPolarHBondContact CA-O 3.43Å; V321-I373 HydrophobicContact CG2-CG1 4.41Å; V321-A574 HydrophobicContact CG1-CB 4.06Å; V321-L577 HydrophobicContact CG1-CB 4.46Å; V321-S578 WeakPolarHBondContact CB-OG 3.46Å; V321-S578 WeakPolarHBondContact CG2-OG 3.43Å; V321-L581 HydrophobicContact CG2-CD1 3.53Å
322R92.6Very high83.9Confident47 Ų4746 Ų4618%0.17727%0.271CS..EExtended strand (participates in β ladder)trans-133.1149.5179.5-57.9-71.5162.8139.92.1111.1S320 W338 E341 C372 L374S320-R322 VanDerWaalsContact OG-CZ 3.32Å; S320-R322 PolarHBondContact OG-NE 2.87Å; S320-R322 PolarHBondContact OG-NH2 2.72Å; R322-W338 HydrophobicContact CB-CD2 4.14Å; R322-W338 HydrophobicContact CB-CE3 3.92Å; R322-W338 HydrophobicContact CB-CH2 3.6Å; R322-W338 HydrophobicContact CB-CZ2 3.87Å; R322-W338 HydrophobicContact CB-CZ3 3.64Å; R322-W338 HydrophobicContact CG-CD2 3.69Å; R322-W338 HydrophobicContact CG-CE3 3.81Å; R322-W338 HydrophobicContact CG-CG 4.12Å; R322-W338 HydrophobicContact CG-CH2 4.26Å; R322-W338 HydrophobicContact CG-CZ2 4.19Å; R322-W338 HydrophobicContact CG-CZ3 4.09Å; R322-E341 IonicContact CZ-OE1 2.71Å; R322-E341 IonicContact CZ-OE2 2.87Å; R322-E341 IonicContact NH1-OE2 3.58Å; R322-E341 PolarHBondContact NH1-OE2 3.11Å; R322-E341 IonicContact NH2-OE1 2.86Å; R322-E341 PolarHBondContact NH2-OE1 3.08Å; R322-E341 IonicContact NH2-OE2 3.37Å; R322-E341 PolarHBondContact NH2-OE2 3.26Å; R322-C372 PolarHBondContact N-O 2.77Å; R322-C372 PolarHBondContact O-N 3.19Å; R322-L374 HydrophobicContact CG-CD1 3.95Å
323L90.4Very high83.6Confident73 Ų7353 Ų5338%0.38230%0.304SS..EExtended strand (participates in β ladder)trans-93.9132.6175.6-172.272.3000110D325 D370 V371L323-D325 PolarHBondContact O-N 2.84Å; L323-D370 WeakPolarHBondContact CD1-O 3.27Å; L323-V371 HydrophobicContact CD1-CG2 4.3Å
324L86.4Confident83.5Confident4 Ų458 Ų582%0.02132%0.321CS..  trans-92.784.1175.5-60.4172000108.9E228 K326 W338 I367 D370 C372E228-L324 HydrophobicContact CB-CD1 4.11Å; E228-L324 HydrophobicContact CB-CD2 4.4Å; E228-L324 HydrophobicContact CG-CD1 4.37Å; E228-L324 HydrophobicContact CG-CD2 4.28Å; L324-K326 PolarHBondContact O-N 2.89Å; L324-W338 HydrophobicContact CD2-CH2 4.28Å; L324-W338 HydrophobicContact CD2-CZ3 4.21Å; L324-I367 HydrophobicContact CD1-CG2 3.95Å; L324-D370 WeakPolarHBondContact CB-O 3.36Å; L324-D370 PolarHBondContact N-O 3.24Å; L324-C372 HydrophobicContact CD1-CB 4.39Å
325D77.4Confident83.4Confident65 Ų6555.8 Ų55.835%0.34831%0.305SS..  trans-65.6121178.1-179.924.6000111.6L323 N327 S328L323-D325 PolarHBondContact O-N 2.84Å; D325-N327 VanDerWaalsContact C-N 3.32Å; D325-N327 WeakPolarHBondContact OD1-CB 3.39Å; D325-N327 PolarHBondContact OD1-N 3.1Å; D325-N327 PolarHBondContact OD1-ND2 3.25Å; D325-S328 CarbonylContact O-C 3.47Å; D325-S328 VanDerWaalsContact O-O 3.13Å; D325-S328 WeakPolarHBondContact OD2-CB 3.3Å; D325-S328 PolarHBondContact OD2-N 2.98Å
326K71.3Confident83.1Confident116 Ų11657.7 Ų57.750%0.50432%0.315SS..SBendtrans-73.8-23.1177.4-58.6-177.6173.4-158.50113E230 L324E230-K326 WeakPolarHBondContact OE2-CD 3.08Å; E230-K326 WeakPolarHBondContact OE2-CE 3.41Å; E230-K326 IonicContact OE2-NZ 3.93Å; E230-K326 PolarHBondContact OE2-NZ 3.19Å; L324-K326 PolarHBondContact O-N 2.89Å
327N67.4Low82.9Confident148 Ų14859.5 Ų59.579%0.79133%0.331SS*.SBendtrans-88.4-27-175.2-51.5-81.9000112.1D325D325-N327 VanDerWaalsContact C-N 3.32Å; D325-N327 WeakPolarHBondContact OD1-CB 3.39Å; D325-N327 PolarHBondContact OD1-N 3.1Å; D325-N327 PolarHBondContact OD1-ND2 3.25Å
328S63Low82.8Confident69 Ų6959.1 Ų59.148%0.48332%0.321SS..SBendtrans-123.288.5172.7-172.50000108.9D325 A330D325-S328 CarbonylContact O-C 3.47Å; D325-S328 VanDerWaalsContact O-O 3.13Å; D325-S328 WeakPolarHBondContact OD2-CB 3.3Å; D325-S328 PolarHBondContact OD2-N 2.98Å; S328-A330 VanDerWaalsContact C-N 3.29Å; S328-A330 PolarHBondContact O-N 2.99Å
329P60.4Low82.7Confident93 Ų9359 Ų5960%0.60432%0.32SS*.  trans-6294.517525.7-33.6000108.9G331P329-G331 PolarHBondContact O-N 3.16Å
330A61Low82.5Confident20 Ų2060.2 Ų60.217%0.16533%0.328CS..  trans-69.992.1-168.300000109.6S328 F334S328-A330 VanDerWaalsContact C-N 3.29Å; S328-A330 PolarHBondContact O-N 2.99Å; A330-F334 HydrophobicContact CB-CB 3.91Å; A330-F334 HydrophobicContact CB-CD2 3.84Å; A330-F334 HydrophobicContact CB-CG 3.93Å
331G73.3Confident82.4Confident33 Ų3363.9 Ų63.934%0.3434%0.343SS..  trans-54.7157.2-170.700000114P329 Q333 F334P329-G331 PolarHBondContact O-N 3.16Å; G331-Q333 PolarHBondContact O-N 2.8Å; G331-F334 WeakPolarHBondContact O-CD2 3.39Å; G331-F334 PolarHBondContact O-N 2.82Å
332I83.5Confident82.4Confident63 Ų6362.9 Ų62.932%0.32334%0.337SS..THydrogen-bonded Turntrans-22.6-48.5-170.4-145.4169.2000117.3L168 M170 F334 R335 D336L168-I332 HydrophobicContact CD2-CD1 4.1Å; L168-I332 HydrophobicContact CD2-CG1 3.39Å; L168-I332 WeakPolarHBondContact O-CD1 3.37Å; M170-I332 HydrophobicContact CB-CD1 4.36Å; M170-I332 HydrophobicContact CB-CG1 4.15Å; I332-F334 VanDerWaalsContact C-N 3.25Å; I332-F334 PolarHBondContact O-N 3.23Å; I332-R335 PolarHBondContact O-N 3.33Å; I332-D336 PolarHBondContact O-N 2.78Å
333Q83.7Confident82.4Confident154 Ų15461.1 Ų61.172%0.7233%0.33SS*.Hα-helixtrans-55.1-32.4178.7-62.2176.21.800114.2G331 A337G331-Q333 PolarHBondContact O-N 2.8Å; Q333-A337 VanDerWaalsContact O-CB 3.3Å; Q333-A337 WeakPolarHBondContact O-CB 3.32Å; Q333-A337 PolarHBondContact O-N 3.18Å
334F86.3Confident82.5Confident119 Ų11960.7 Ų60.752%0.52233%0.331SS..Hα-helixtrans-71.8-38.6176.7-71.7-80.5000111.9A330 G331 I332 A337 W338A330-F334 HydrophobicContact CB-CB 3.91Å; A330-F334 HydrophobicContact CB-CD2 3.84Å; A330-F334 HydrophobicContact CB-CG 3.93Å; G331-F334 WeakPolarHBondContact O-CD2 3.39Å; G331-F334 PolarHBondContact O-N 2.82Å; I332-F334 VanDerWaalsContact C-N 3.25Å; I332-F334 PolarHBondContact O-N 3.23Å; F334-A337 PolarHBondContact O-N 3.33Å; F334-W338 PolarHBondContact O-N 2.74Å
335R87.6Confident82.9Confident5 Ų564.8 Ų64.82%0.01935%0.35CS..Hα-helixtrans-67.8-44174.2-60.9-63.5-174.5-88.6-12.8110.6L168 M170 E228 V234 I332 A337 W338 W339L168-R335 HydrophobicContact CD1-CB 3.68Å; L168-R335 HydrophobicContact CD2-CB 4.3Å; M170-R335 HydrophobicContact CE-CG 3.56Å; E228-R335 VanDerWaalsContact CD-NE 3.26Å; E228-R335 IonicContact OE1-CZ 3.98Å; E228-R335 IonicContact OE1-NE 3.51Å; E228-R335 PolarHBondContact OE1-NE 3.01Å; E228-R335 IonicContact OE1-NH2 3.49Å; E228-R335 IonicContact OE2-CZ 2.7Å; E228-R335 VanDerWaalsContact OE2-CZ 3.23Å; E228-R335 IonicContact OE2-NE 2.72Å; E228-R335 PolarHBondContact OE2-NE 3.44Å; E228-R335 IonicContact OE2-NH2 3.96Å; E228-R335 PolarHBondContact OE2-NH2 3.23Å; V234-R335 HydrophobicContact CG2-CG 4.21Å; I332-R335 PolarHBondContact O-N 3.33Å; R335-A337 VanDerWaalsContact C-N 3.29Å; R335-A337 PolarHBondContact O-N 2.96Å; R335-W338 PolarHBondContact O-N 3.23Å; R335-W339 PolarHBondContact O-N 2.97Å; R335-W339 VanDerWaalsContact O-N 3.16Å
336D88.4Confident83.6Confident63 Ų6361.7 Ų61.734%0.33733%0.333SS..Hα-helixtrans-56.6-43.7173.5-69.5-40.4000111.5L168 I332 W339 L340L168-D336 VanDerWaalsContact CB-OD1 3.26Å; L168-D336 WeakPolarHBondContact CB-OD1 3.3Å; I332-D336 PolarHBondContact O-N 2.78Å; D336-W339 PolarHBondContact O-N 2.77Å; D336-L340 VanDerWaalsContact O-CB 3.27Å; D336-L340 WeakPolarHBondContact O-CB 3.2Å; D336-L340 PolarHBondContact O-N 3.06Å
337A91.1Very high84.7Confident47 Ų4756.3 Ų56.339%0.38831%0.31SS..Hα-helixtrans-63.7-4017700000113.2Q333 F334 R335 L340 E341Q333-A337 VanDerWaalsContact O-CB 3.3Å; Q333-A337 WeakPolarHBondContact O-CB 3.32Å; Q333-A337 PolarHBondContact O-N 3.18Å; F334-A337 PolarHBondContact O-N 3.33Å; R335-A337 VanDerWaalsContact C-N 3.29Å; R335-A337 PolarHBondContact O-N 2.96Å; A337-L340 PolarHBondContact O-N 2.53Å; A337-E341 PolarHBondContact O-N 2.82Å
338W93Very high85.7Confident32 Ų3252 Ų5212%0.12130%0.295CS..Hα-helixtrans-62.4-44.4176.7-63.7-9.9000112.1R322 L324 F334 R335 E341 L342 L374R322-W338 HydrophobicContact CB-CD2 4.14Å; R322-W338 HydrophobicContact CB-CE3 3.92Å; R322-W338 HydrophobicContact CB-CH2 3.6Å; R322-W338 HydrophobicContact CB-CZ2 3.87Å; R322-W338 HydrophobicContact CB-CZ3 3.64Å; R322-W338 HydrophobicContact CG-CD2 3.69Å; R322-W338 HydrophobicContact CG-CE3 3.81Å; R322-W338 HydrophobicContact CG-CG 4.12Å; R322-W338 HydrophobicContact CG-CH2 4.26Å; R322-W338 HydrophobicContact CG-CZ2 4.19Å; R322-W338 HydrophobicContact CG-CZ3 4.09Å; L324-W338 HydrophobicContact CD2-CH2 4.28Å; L324-W338 HydrophobicContact CD2-CZ3 4.21Å; F334-W338 PolarHBondContact O-N 2.74Å; R335-W338 PolarHBondContact O-N 3.23Å; W338-E341 WeakPolarHBondContact O-CB 3.44Å; W338-E341 PolarHBondContact O-N 3.15Å; W338-L342 PolarHBondContact O-N 2.88Å; W338-L374 HydrophobicContact CB-CD1 3.73Å; W338-L374 HydrophobicContact CD2-CD1 4.39Å; W338-L374 HydrophobicContact CE3-CD1 3.94Å; W338-L374 HydrophobicContact CG-CD1 4.37Å
339W92.9Very high87.1Confident4 Ų451.3 Ų51.32%0.01528%0.284CS..Hα-helixtrans-73-31.7177-68.3105.7000112.7R236 R335 D336 E341 L342 R343 E363 E364 C365 L374R236-W339 VanDerWaalsContact CD-NE1 3.27Å; R236-W339 VanDerWaalsContact NH1-CZ2 3.28Å; R335-W339 PolarHBondContact O-N 2.97Å; R335-W339 VanDerWaalsContact O-N 3.16Å; D336-W339 PolarHBondContact O-N 2.77Å; W339-E341 VanDerWaalsContact C-N 3.32Å; W339-L342 HydrophobicContact CD2-CD1 4.26Å; W339-L342 HydrophobicContact CE3-CD1 3.5Å; W339-L342 HydrophobicContact CZ3-CD1 3.66Å; W339-R343 VanDerWaalsContact C-NH1 3.32Å; W339-R343 VanDerWaalsContact CB-NH1 3.28Å; W339-R343 WeakPolarHBondContact O-CB 3.33Å; W339-R343 VanDerWaalsContact O-CG 3.27Å; W339-R343 WeakPolarHBondContact O-CG 3.31Å; W339-R343 PolarHBondContact O-N 3.19Å; W339-R343 VanDerWaalsContact O-N 3.11Å; W339-R343 PolarHBondContact O-NH1 2.81Å; W339-E363 HydrophobicContact CE3-CB 4.29Å; W339-E363 HydrophobicContact CE3-CG 4.02Å; W339-E363 HydrophobicContact CH2-CB 4.21Å; W339-E363 HydrophobicContact CZ3-CB 3.75Å; W339-E363 HydrophobicContact CZ3-CG 3.91Å; W339-E364 WeakPolarHBondContact CH2-O 3.44Å; W339-C365 HydrophobicContact CZ2-CB 4.3Å; W339-L374 HydrophobicContact CH2-CB 3.94Å; W339-L374 HydrophobicContact CH2-CD2 4.25Å; W339-L374 HydrophobicContact CZ2-CB 4.18Å; W339-L374 HydrophobicContact CZ2-CD2 3.71Å; W339-L374 HydrophobicContact CZ2-CG 4.37Å; W339-L374 HydrophobicContact CZ3-CB 4.31Å
340L91.9Very high88.5Confident65 Ų6547 Ų4734%0.3426%0.256SS..Hα-helixtrans-61.3-40.5171179.461.5000111.6F296 D336 A337 R343 T344F296-L340 HydrophobicContact CE2-CD1 3.49Å; F296-L340 VanDerWaalsContact CE2-CD1 3.49Å; F296-L340 HydrophobicContact CZ-CD1 3.71Å; D336-L340 VanDerWaalsContact O-CB 3.27Å; D336-L340 WeakPolarHBondContact O-CB 3.2Å; D336-L340 PolarHBondContact O-N 3.06Å; A337-L340 PolarHBondContact O-N 2.53Å; L340-R343 PolarHBondContact O-N 3.47Å; L340-T344 HydrophobicContact CD1-CG2 4.24Å; L340-T344 HydrophobicContact CG-CG2 4.5Å; L340-T344 WeakPolarHBondContact O-CG2 3.23Å; L340-T344 PolarHBondContact O-N 2.83Å; L340-T344 PolarHBondContact O-OG1 2.69Å
341E93.8Very high89.9Confident98 Ų9854 Ų5446%0.45828%0.278SS..Hα-helixtrans-57.7-55.6177.6-155.7-176.7121.900111.1R322 A337 W338 W339 R343 T344 E345R322-E341 IonicContact CZ-OE1 2.71Å; R322-E341 IonicContact CZ-OE2 2.87Å; R322-E341 IonicContact NH1-OE2 3.58Å; R322-E341 PolarHBondContact NH1-OE2 3.11Å; R322-E341 IonicContact NH2-OE1 2.86Å; R322-E341 PolarHBondContact NH2-OE1 3.08Å; R322-E341 IonicContact NH2-OE2 3.37Å; R322-E341 PolarHBondContact NH2-OE2 3.26Å; A337-E341 PolarHBondContact O-N 2.82Å; W338-E341 WeakPolarHBondContact O-CB 3.44Å; W338-E341 PolarHBondContact O-N 3.15Å; W339-E341 VanDerWaalsContact C-N 3.32Å; E341-R343 VanDerWaalsContact C-N 3.27Å; E341-R343 PolarHBondContact O-N 2.6Å; E341-T344 PolarHBondContact O-N 2.83Å; E341-T344 PolarHBondContact O-OG1 2.91Å; E341-E345 PolarHBondContact O-N 2.83Å
342L94.6Very high90.5Very high2 Ų254.9 Ų54.91%0.0128%0.279CS..Hα-helixtrans-54.1-42.6175.7-60.9169.8000112.2S318 W338 W339 E345 I346 L374S318-L342 WeakPolarHBondContact OG-CD2 3.34Å; W338-L342 PolarHBondContact O-N 2.88Å; W339-L342 HydrophobicContact CD2-CD1 4.26Å; W339-L342 HydrophobicContact CE3-CD1 3.5Å; W339-L342 HydrophobicContact CZ3-CD1 3.66Å; L342-E345 PolarHBondContact O-N 3.45Å; L342-I346 WeakPolarHBondContact O-CG1 3.47Å; L342-I346 PolarHBondContact O-N 2.87Å; L342-L374 HydrophobicContact CD1-CB 3.72Å
343R93.7Very high90.6Very high10 Ų1054.3 Ų54.34%0.03828%0.276CS..Hα-helixtrans-66.9-39.3178.4-74.7-179.8-149.8118.3-10.4112.2F298 W339 L340 E341 V347 Y361 E363F298-R343 HydrophobicContact CE2-CB 3.66Å; F298-R343 HydrophobicContact CE2-CG 3.61Å; F298-R343 HydrophobicContact CZ-CB 3.64Å; F298-R343 HydrophobicContact CZ-CG 3.72Å; W339-R343 VanDerWaalsContact C-NH1 3.32Å; W339-R343 VanDerWaalsContact CB-NH1 3.28Å; W339-R343 WeakPolarHBondContact O-CB 3.33Å; W339-R343 VanDerWaalsContact O-CG 3.27Å; W339-R343 WeakPolarHBondContact O-CG 3.31Å; W339-R343 PolarHBondContact O-N 3.19Å; W339-R343 VanDerWaalsContact O-N 3.11Å; W339-R343 PolarHBondContact O-NH1 2.81Å; L340-R343 PolarHBondContact O-N 3.47Å; E341-R343 VanDerWaalsContact C-N 3.27Å; E341-R343 PolarHBondContact O-N 2.6Å; R343-V347 WeakPolarHBondContact O-CG2 3.36Å; R343-V347 PolarHBondContact O-N 3.42Å; R343-Y361 VanDerWaalsContact CG-OH 3.27Å; R343-Y361 WeakPolarHBondContact CG-OH 3.31Å; R343-E363 IonicContact CZ-OE1 2.71Å; R343-E363 IonicContact NE-OE1 3.7Å; R343-E363 PolarHBondContact NE-OE1 3.21Å; R343-E363 VanDerWaalsContact NH2-CD 3.29Å; R343-E363 IonicContact NH2-OE1 3.63Å; R343-E363 PolarHBondContact NH2-OE1 3.14Å; R343-E363 IonicContact NH2-OE2 2.7Å; R343-E363 PolarHBondContact NH2-OE2 2.86Å; R343-E363 VanDerWaalsContact NH2-OE2 3.16Å
344T92.4Very high90.6Very high65 Ų6548.8 Ų48.840%0.39926%0.261SS..Hα-helixtrans-66.6-36.7175.955.50000112.7F296 L340 E341 V347 A348F296-T344 HydrophobicContact CE1-CG2 4.07Å; F296-T344 HydrophobicContact CZ-CG2 3.87Å; L340-T344 HydrophobicContact CD1-CG2 4.24Å; L340-T344 HydrophobicContact CG-CG2 4.5Å; L340-T344 WeakPolarHBondContact O-CG2 3.23Å; L340-T344 PolarHBondContact O-N 2.83Å; L340-T344 PolarHBondContact O-OG1 2.69Å; E341-T344 PolarHBondContact O-N 2.83Å; E341-T344 PolarHBondContact O-OG1 2.91Å; T344-V347 PolarHBondContact O-N 3.45Å; T344-A348 PolarHBondContact O-N 2.86Å
345E93.6Very high90.8Very high89 Ų8943.4 Ų43.442%0.41624%0.238SC..Hα-helixtrans-65.6-47.9174.6-176.1175.9-145.700111.7S318 E341 L342 V347 A348 H349S318-E345 WeakPolarHBondContact CB-OE2 3.48Å; S318-E345 PolarHBondContact OG-OE2 2.84Å; E341-E345 PolarHBondContact O-N 2.83Å; L342-E345 PolarHBondContact O-N 3.45Å; E345-V347 VanDerWaalsContact C-N 3.27Å; E345-V347 PolarHBondContact O-N 3.01Å; E345-A348 WeakPolarHBondContact O-CA 3.42Å; E345-A348 WeakPolarHBondContact O-CB 3.5Å; E345-A348 PolarHBondContact O-N 3.29Å; E345-H349 PolarHBondContact O-CD2 3.04Å; E345-H349 VanDerWaalsContact O-CD2 3.25Å; E345-H349 PolarHBondContact O-N 2.58Å; E345-H349 IonicContact OE1-NE2 3.95Å
346I93.8Very high90.9Very high0 Ų046 Ų460%025%0.252CS..Hα-helixtrans-59.5-38.7176.4-69.3172.7000111.5F298 I316 L342 A348 H349 M350 V358 Y361 S376F298-I346 HydrophobicContact CE1-CB 4.39Å; F298-I346 HydrophobicContact CE1-CG2 3.86Å; I316-I346 HydrophobicContact CB-CG2 4.49Å; I316-I346 HydrophobicContact CG2-CB 4.31Å; I316-I346 HydrophobicContact CG2-CG1 4.16Å; I316-I346 HydrophobicContact CG2-CG2 3.97Å; L342-I346 WeakPolarHBondContact O-CG1 3.47Å; L342-I346 PolarHBondContact O-N 2.87Å; I346-A348 VanDerWaalsContact C-N 3.35Å; I346-H349 PolarHBondContact O-N 2.84Å; I346-M350 VanDerWaalsContact O-CB 3.3Å; I346-M350 WeakPolarHBondContact O-CB 3.28Å; I346-M350 PolarHBondContact O-N 3.33Å; I346-V358 HydrophobicContact CG2-CG2 3.99Å; I346-Y361 HydrophobicContact CD1-CE2 4.07Å; I346-S376 WeakPolarHBondContact CD1-O 3.46Å
347V92.6Very high91.1Very high4 Ų443.2 Ų43.22%0.02424%0.238CC..Hα-helixtrans-71-28.7175.9170.40000112.4F296 F298 R343 T344 E345 M350 R351F296-V347 HydrophobicContact CB-CG2 4.15Å; F296-V347 HydrophobicContact CD1-CB 4.39Å; F296-V347 HydrophobicContact CD1-CG1 4.37Å; F296-V347 HydrophobicContact CD1-CG2 3.9Å; F296-V347 HydrophobicContact CG-CG2 4.35Å; F298-V347 HydrophobicContact CE1-CG2 4.2Å; F298-V347 HydrophobicContact CE2-CG2 4.33Å; F298-V347 HydrophobicContact CZ-CG2 3.7Å; R343-V347 WeakPolarHBondContact O-CG2 3.36Å; R343-V347 PolarHBondContact O-N 3.42Å; T344-V347 PolarHBondContact O-N 3.45Å; E345-V347 VanDerWaalsContact C-N 3.27Å; E345-V347 PolarHBondContact O-N 3.01Å; V347-M350 HydrophobicContact CG1-CE 4.41Å; V347-R351 WeakPolarHBondContact O-CB 3.17Å; V347-R351 WeakPolarHBondContact O-CD 3.43Å; V347-R351 VanDerWaalsContact O-CG 3.23Å; V347-R351 WeakPolarHBondContact O-CG 3.42Å; V347-R351 PolarHBondContact O-N 3.21Å
348A90.1Very high91.2Very high58 Ų5841 Ų4148%0.47922%0.219SC..Hα-helixtrans-66.2-50.5170.600000111T344 E345 I346 M350 R351 S352T344-A348 PolarHBondContact O-N 2.86Å; E345-A348 WeakPolarHBondContact O-CA 3.42Å; E345-A348 WeakPolarHBondContact O-CB 3.5Å; E345-A348 PolarHBondContact O-N 3.29Å; I346-A348 VanDerWaalsContact C-N 3.35Å; A348-M350 PolarHBondContact O-N 2.9Å; A348-R351 PolarHBondContact O-N 2.8Å; A348-S352 PolarHBondContact O-N 3.11Å
349H90.5Very high91.3Very high54 Ų5439.5 Ų39.525%0.2521%0.214CC..Hα-helixtrans-62.2-39.7176.3-66.2-59.5000112.9I316 E345 I346 R351 S352 I353I316-H349 HydrophobicContact CD1-CB 3.85Å; I316-H349 HydrophobicContact CG2-CB 3.71Å; E345-H349 PolarHBondContact O-CD2 3.04Å; E345-H349 VanDerWaalsContact O-CD2 3.25Å; E345-H349 PolarHBondContact O-N 2.58Å; E345-H349 IonicContact OE1-NE2 3.95Å; I346-H349 PolarHBondContact O-N 2.84Å; H349-R351 VanDerWaalsContact C-N 3.26Å; H349-R351 PolarHBondContact O-N 3.24Å; H349-S352 PolarHBondContact O-N 2.99Å; H349-S352 PolarHBondContact O-OG 3.42Å; H349-S352 VanDerWaalsContact O-OG 3.05Å; H349-I353 WeakPolarHBondContact O-CB 3.39Å; H349-I353 WeakPolarHBondContact O-CG1 3.49Å; H349-I353 PolarHBondContact O-N 3.14Å
350M91.5Very high91.5Very high3 Ų339.3 Ų39.32%0.01521%0.213CC..Hα-helixtrans-58.5-41.7175.9-177.7-155.872.600111.1P297 I316 I346 V347 A348 G354 C355 D356 A357 V358 A380P297-M350 HydrophobicContact CG-CE 3.83Å; P297-M350 HydrophobicContact CG-SD 3.79Å; I316-M350 VanDerWaalsContact CD1-CA 3.45Å; I316-M350 HydrophobicContact CD1-CB 3.96Å; I316-M350 VanDerWaalsContact CD1-N 3.3Å; I346-M350 VanDerWaalsContact O-CB 3.3Å; I346-M350 WeakPolarHBondContact O-CB 3.28Å; I346-M350 PolarHBondContact O-N 3.33Å; V347-M350 HydrophobicContact CG1-CE 4.41Å; A348-M350 PolarHBondContact O-N 2.9Å; M350-G354 PolarHBondContact O-N 3.2Å; M350-C355 HydrophobicContact CG-CB 3.81Å; M350-C355 PolarHBondContact O-N 3.25Å; M350-D356 VanDerWaalsContact SD-C 3.53Å; M350-A357 WeakPolarHBondContact SD-CA 3.17Å; M350-A357 PolarHBondContact SD-N 2.99Å; M350-A357 VanDerWaalsContact SD-N 3.41Å; M350-V358 HydrophobicContact CB-CG2 4.16Å; M350-V358 HydrophobicContact CG-CG2 3.94Å; M350-V358 HydrophobicContact SD-CG2 3.68Å; M350-A380 HydrophobicContact CB-CB 4.46Å; M350-A380 HydrophobicContact CG-CB 4.06Å
351R88.8Confident91.7Very high167 Ų16736.2 Ų36.263%0.6320%0.197SC*.Hα-helixtrans-74.3-34.4178.7-72.2170.3177.6173.41.3113.3V347 A348 H349 I353 G354V347-R351 WeakPolarHBondContact O-CB 3.17Å; V347-R351 WeakPolarHBondContact O-CD 3.43Å; V347-R351 VanDerWaalsContact O-CG 3.23Å; V347-R351 WeakPolarHBondContact O-CG 3.42Å; V347-R351 PolarHBondContact O-N 3.21Å; A348-R351 PolarHBondContact O-N 2.8Å; H349-R351 VanDerWaalsContact C-N 3.26Å; H349-R351 PolarHBondContact O-N 3.24Å; R351-I353 VanDerWaalsContact C-N 3.33Å; R351-G354 PolarHBondContact O-N 2.8Å; R351-G354 VanDerWaalsContact O-N 3.14Å
352S86.9Confident91.7Very high51 Ų5132.6 Ų32.636%0.35718%0.179SC..Hα-helixtrans-69.4-33.2173.868.40000111.7A348 H349 G354 F517A348-S352 PolarHBondContact O-N 3.11Å; H349-S352 PolarHBondContact O-N 2.99Å; H349-S352 PolarHBondContact O-OG 3.42Å; H349-S352 VanDerWaalsContact O-OG 3.05Å; S352-G354 PolarHBondContact O-N 2.98Å; S352-F517 WeakPolarHBondContact O-CZ 3.35Å
353I84.8Confident91.8Very high51 Ų5132.5 Ų32.526%0.26218%0.178SC..THydrogen-bonded Turntrans-75.3-2.9171.2-63.7176.7000112.2I316 H349 R351 C355I316-I353 HydrophobicContact CD1-CD1 4.02Å; I316-I353 HydrophobicContact CG1-CD1 4.18Å; H349-I353 WeakPolarHBondContact O-CB 3.39Å; H349-I353 WeakPolarHBondContact O-CG1 3.49Å; H349-I353 PolarHBondContact O-N 3.14Å; R351-I353 VanDerWaalsContact C-N 3.33Å; I353-C355 VanDerWaalsContact C-N 3.28Å; I353-C355 PolarHBondContact O-N 3.41Å
354G84.1Confident91.7Very high38 Ų3833.1 Ų33.139%0.39218%0.182SC..THydrogen-bonded Turntrans77.69.8174.200000114.9M350 R351 S352M350-G354 PolarHBondContact O-N 3.2Å; R351-G354 PolarHBondContact O-N 2.8Å; R351-G354 VanDerWaalsContact O-N 3.14Å; S352-G354 PolarHBondContact O-N 2.98Å
355C90.7Very high91.8Very high6 Ų631.2 Ų31.24%0.04117%0.171CC..  trans-86.4163.2176.6-720000111.7M350 I353 A380 V381M350-C355 HydrophobicContact CG-CB 3.81Å; M350-C355 PolarHBondContact O-N 3.25Å; I353-C355 VanDerWaalsContact C-N 3.28Å; I353-C355 PolarHBondContact O-N 3.41Å; C355-A380 HydrophobicContact CB-CB 3.83Å; C355-V381 VanDerWaalsContact CB-O 3.3Å; C355-V381 WeakPolarHBondContact CB-O 3.38Å; C355-V381 VanDerWaalsContact SG-C 3.53Å
356D89.4Confident91.7Very high60 Ų6028.3 Ų28.332%0.32116%0.159SC..SBendtrans-120.7-10.3-177.854.125.6000114.8P297 M350 V381 Q382 I383P297-D356 VanDerWaalsContact CB-O 3.29Å; P297-D356 WeakPolarHBondContact CB-O 3.39Å; P297-D356 WeakPolarHBondContact CG-O 3.46Å; M350-D356 VanDerWaalsContact SD-C 3.53Å; D356-V381 PolarHBondContact N-O 3.14Å; D356-Q382 WeakPolarHBondContact OD1-CA 3.18Å; D356-Q382 WeakPolarHBondContact OD2-CG 3.17Å; D356-I383 PolarHBondContact OD1-N 2.81Å
357A92.1Very high91.5Very high4 Ų430.6 Ų30.63%0.03317%0.171CC..EExtended strand (participates in β ladder)trans-143.9163.9169.500000114.1P297 M350 A380 V381 I383P297-A357 HydrophobicContact CB-CB 4.17Å; M350-A357 WeakPolarHBondContact SD-CA 3.17Å; M350-A357 PolarHBondContact SD-N 2.99Å; M350-A357 VanDerWaalsContact SD-N 3.41Å; A357-A380 WeakPolarHBondContact O-CA 3.45Å; A357-V381 PolarHBondContact N-O 3.27Å; A357-V381 PolarHBondContact O-N 2.82Å; A357-I383 HydrophobicContact CB-CD1 3.37Å; A357-I383 HydrophobicContact CB-CG1 3.84Å
358V94.9Very high91.3Very high0 Ų031.6 Ų31.60%017%0.174CC..EExtended strand (participates in β ladder)trans-115.9115.1174.7-177.50000109.4P297 F298 L299 I346 M350 Y361 T379P297-V358 PolarHBondContact O-N 3.46Å; F298-V358 HydrophobicContact CD1-CB 3.89Å; F298-V358 HydrophobicContact CD1-CG1 4.26Å; F298-V358 HydrophobicContact CD1-CG2 4.24Å; F298-V358 HydrophobicContact CE1-CB 4.35Å; F298-V358 HydrophobicContact CE1-CG2 4.23Å; L299-V358 PolarHBondContact N-O 2.96Å; I346-V358 HydrophobicContact CG2-CG2 3.99Å; M350-V358 HydrophobicContact CB-CG2 4.16Å; M350-V358 HydrophobicContact CG-CG2 3.94Å; M350-V358 HydrophobicContact SD-CG2 3.68Å; V358-Y361 HydrophobicContact CG1-CD2 4.14Å; V358-T379 WeakPolarHBondContact CA-O 3.47Å
359L94.9Very high91Very high1 Ų133.5 Ų33.51%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-98148.7-175.9-153.6158000110.3L299 I301 P304 M308 I309 Y361 T379 V381L299-L359 CarbonylContact O-C 3.47Å; I301-L359 WeakPolarHBondContact O-CD2 3.41Å; P304-L359 HydrophobicContact CG-CD2 4.16Å; M308-L359 HydrophobicContact CE-CD1 3.49Å; M308-L359 VanDerWaalsContact CE-CD1 3.49Å; M308-L359 HydrophobicContact CE-CG 4.18Å; I309-L359 HydrophobicContact CD1-CD1 3.84Å; I309-L359 HydrophobicContact CG1-CD1 3.88Å; L359-Y361 VanDerWaalsContact C-N 3.3Å; L359-Y361 PolarHBondContact O-N 3.02Å; L359-T379 PolarHBondContact N-O 2.92Å; L359-T379 PolarHBondContact O-N 2.77Å; L359-V381 HydrophobicContact CB-CG2 3.98Å; L359-V381 HydrophobicContact CD1-CG1 4.4Å; L359-V381 HydrophobicContact CD1-CG2 4.01Å
360A95.5Very high90.9Very high0 Ų032.7 Ų32.70%017%0.171CC..EExtended strand (participates in β ladder)trans52.747-176.400000112.6L299 I301 S541 S542L299-A360 PolarHBondContact O-N 3.3Å; I301-A360 WeakPolarHBondContact O-CA 3.13Å; I301-A360 PolarHBondContact O-N 2.99Å; A360-S541 WeakPolarHBondContact CB-O 3.3Å; A360-S541 WeakPolarHBondContact CB-OG 3.43Å; A360-S541 PolarHBondContact O-OG 3.04Å; A360-S542 VanDerWaalsContact CB-CA 3.49Å
361Y96.5Very high90.9Very high0 Ų032.6 Ų32.60%017%0.17CC..EExtended strand (participates in β ladder)trans-71136.9179.4-179.4-103.5000112.2F164 Q222 I238 F298 L299 R343 I346 V358 L359 E363 S376 Y377F164-Y361 AromaticContact CE2-CD1 3.94Å; F164-Y361 HydrophobicContact CE2-CD1 3.94Å; F164-Y361 HydrophobicContact CE2-CE1 4.13Å; F164-Y361 HydrophobicContact CZ-CD1 4.13Å; F164-Y361 AromaticContact CZ-CE1 3.83Å; F164-Y361 HydrophobicContact CZ-CE1 3.83Å; Q222-Y361 PolarHBondContact NE2-O 3.41Å; Q222-Y361 VanDerWaalsContact NE2-O 3.14Å; I238-Y361 HydrophobicContact CD1-CD1 4.37Å; I238-Y361 HydrophobicContact CD1-CE1 4.31Å; F298-Y361 HydrophobicContact CB-CD1 4Å; F298-Y361 HydrophobicContact CB-CG 3.99Å; F298-Y361 HydrophobicContact CD1-CD1 4.19Å; F298-Y361 AromaticContact CD1-CD2 3.41Å; F298-Y361 HydrophobicContact CD1-CD2 3.41Å; F298-Y361 VanDerWaalsContact CD1-CD2 3.41Å; F298-Y361 HydrophobicContact CD1-CE1 4.39Å; F298-Y361 AromaticContact CD1-CE2 3.64Å; F298-Y361 HydrophobicContact CD1-CE2 3.64Å; F298-Y361 AromaticContact CD1-CG 3.71Å; F298-Y361 HydrophobicContact CD1-CG 3.71Å; F298-Y361 AromaticContact CE1-CD2 3.84Å; F298-Y361 HydrophobicContact CE1-CD2 3.84Å; F298-Y361 AromaticContact CE1-CE2 3.64Å; F298-Y361 HydrophobicContact CE1-CE2 3.64Å; F298-Y361 HydrophobicContact CG-CD1 4.15Å; F298-Y361 HydrophobicContact CG-CD2 4.18Å; F298-Y361 HydrophobicContact CG-CE1 4.33Å; F298-Y361 HydrophobicContact CG-CE2 4.36Å; F298-Y361 HydrophobicContact CG-CG 4.07Å; F298-Y361 HydrophobicContact CZ-CE2 4.34Å; L299-Y361 PolarHBondContact O-N 2.99Å; R343-Y361 VanDerWaalsContact CG-OH 3.27Å; R343-Y361 WeakPolarHBondContact CG-OH 3.31Å; I346-Y361 HydrophobicContact CD1-CE2 4.07Å; V358-Y361 HydrophobicContact CG1-CD2 4.14Å; L359-Y361 VanDerWaalsContact C-N 3.3Å; L359-Y361 PolarHBondContact O-N 3.02Å; Y361-E363 HydrophobicContact CE1-CG 3.79Å; Y361-E363 WeakPolarHBondContact CE1-OE1 3.35Å; Y361-E363 WeakPolarHBondContact OH-CG 3.49Å; Y361-E363 PolarHBondContact OH-OE1 2.83Å; Y361-E363 VanDerWaalsContact OH-OE1 3.05Å; Y361-S376 WeakPolarHBondContact OH-CB 3.21Å; Y361-S376 PolarHBondContact OH-OG 3.01Å; Y361-S376 VanDerWaalsContact OH-OG 3.11Å; Y361-Y377 WeakPolarHBondContact CA-O 3.41Å; Y361-Y377 WeakPolarHBondContact CD2-O 3.14Å
362R95.4Very high91.1Very high22 Ų2224.7 Ų24.78%0.08314%0.14CC..EExtended strand (participates in β ladder)trans-142150-176.9-64.4-176.3177-80.4-9.9111.4Q222 S302 S376 Y377Q222-R362 VanDerWaalsContact OE1-NH1 3.16Å; S302-R362 PolarHBondContact OG-NH2 2.82Å; R362-S376 WeakPolarHBondContact O-CA 3.35Å; R362-Y377 HydrophobicContact CB-CD1 4.29Å; R362-Y377 HydrophobicContact CB-CE1 3.89Å; R362-Y377 HydrophobicContact CB-CE2 4.27Å; R362-Y377 PolarHBondContact N-O 3.18Å; R362-Y377 PolarHBondContact O-N 3Å
363E94.9Very high91.5Very high0 Ų022.4 Ų22.40%012%0.124CC..EExtended strand (participates in β ladder)trans-122.1141.8171.5-66.5178.3-165.300109.3H224 R236 I238 W339 R343 Y361 Q375H224-E363 PolarHBondContact CE1-O 3.29Å; H224-E363 PolarHBondContact ND1-O 2.82Å; R236-E363 IonicContact NH1-OE2 2.67Å; R236-E363 PolarHBondContact NH1-OE2 3.09Å; I238-E363 HydrophobicContact CD1-CB 4.28Å; I238-E363 HydrophobicContact CD1-CG 4.04Å; W339-E363 HydrophobicContact CE3-CB 4.29Å; W339-E363 HydrophobicContact CE3-CG 4.02Å; W339-E363 HydrophobicContact CH2-CB 4.21Å; W339-E363 HydrophobicContact CZ3-CB 3.75Å; W339-E363 HydrophobicContact CZ3-CG 3.91Å; R343-E363 IonicContact CZ-OE1 2.71Å; R343-E363 IonicContact NE-OE1 3.7Å; R343-E363 PolarHBondContact NE-OE1 3.21Å; R343-E363 VanDerWaalsContact NH2-CD 3.29Å; R343-E363 IonicContact NH2-OE1 3.63Å; R343-E363 PolarHBondContact NH2-OE1 3.14Å; R343-E363 IonicContact NH2-OE2 2.7Å; R343-E363 PolarHBondContact NH2-OE2 2.86Å; R343-E363 VanDerWaalsContact NH2-OE2 3.16Å; Y361-E363 HydrophobicContact CE1-CG 3.79Å; Y361-E363 WeakPolarHBondContact CE1-OE1 3.35Å; Y361-E363 WeakPolarHBondContact OH-CG 3.49Å; Y361-E363 PolarHBondContact OH-OE1 2.83Å; Y361-E363 VanDerWaalsContact OH-OE1 3.05Å; E363-Q375 CarbonylContact C-O 3.57Å; E363-Q375 WeakPolarHBondContact CA-O 3.4Å
364E93.5Very high92Very high23 Ų2320.1 Ų20.111%0.10711%0.113CC..EExtended strand (participates in β ladder)trans-140.8134.6179.8-65.6-73.2163.300108.3W339 Q375 Y377 R610W339-E364 WeakPolarHBondContact CH2-O 3.44Å; E364-Q375 HydrophobicContact CB-CB 4.44Å; E364-Q375 PolarHBondContact N-O 2.79Å; E364-Q375 PolarHBondContact O-N 3.45Å; E364-Y377 HydrophobicContact CG-CE1 3.86Å; E364-R610 IonicContact OE1-CZ 3.77Å; E364-R610 IonicContact OE1-NH1 2.78Å; E364-R610 PolarHBondContact OE1-NH1 3.03Å; E364-R610 IonicContact OE2-CZ 3.16Å; E364-R610 IonicContact OE2-NH1 3.37Å; E364-R610 PolarHBondContact OE2-NH1 2.86Å
365C93.3Very high92.6Very high25 Ų2518.6 Ų18.617%0.16910%0.095CC..EExtended strand (participates in β ladder)trans-117.5147.8174.7-169.70000109D226 W339 I373D226-C365 WeakPolarHBondContact OD1-CB 3.47Å; W339-C365 HydrophobicContact CZ2-CB 4.3Å; C365-I373 CarbonylContact C-O 3.6Å; C365-I373 WeakPolarHBondContact CA-O 3.42Å
366T92.2Very high92.8Very high27 Ų2718.3 Ų18.317%0.1669%0.093CC..EExtended strand (participates in β ladder)trans-139.9113.6172.9-53.50000108.5C372 I373 I611 V613T366-C372 CarbonylContact O-C 3.53Å; T366-C372 WeakPolarHBondContact O-CA 3.41Å; T366-I373 PolarHBondContact N-O 3.2Å; T366-I373 PolarHBondContact O-N 3.34Å; T366-I611 WeakPolarHBondContact CG2-O 3.37Å; T366-I611 PolarHBondContact OG1-O 2.87Å; T366-V613 HydrophobicContact CG2-CG2 4.27Å
367I89.2Confident93.2Very high49 Ų4915.5 Ų15.525%0.2518%0.078SC..EExtended strand (participates in β ladder)trans-102.4136.3-177.4-58.7172.5000109D226 L227 E228 L324 C372D226-I367 HydrophobicContact CB-CD1 4Å; L227-I367 WeakPolarHBondContact O-CD1 3.41Å; E228-I367 HydrophobicContact CG-CD1 3.76Å; L324-I367 HydrophobicContact CD1-CG2 3.95Å; I367-C372 HydrophobicContact CG1-CB 3.86Å
368Y87.7Confident93.4Very high24 Ų2415.3 Ų15.39%0.0948%0.076CC..EExtended strand (participates in β ladder)trans-137.4112.7168.7169.4-94.3000108.4D370 V371 K565 V613 G614Y368-D370 PolarHBondContact O-N 3.01Å; Y368-V371 PolarHBondContact N-O 3.3Å; Y368-V371 PolarHBondContact O-N 2.93Å; Y368-V371 VanDerWaalsContact O-O 3.11Å; Y368-K565 VanDerWaalsContact CE1-NZ 3.32Å; Y368-K565 PolarHBondContact OH-NZ 2.85Å; Y368-V613 HydrophobicContact CD1-CG1 4.06Å; Y368-V613 HydrophobicContact CD2-CG1 4.16Å; Y368-V613 HydrophobicContact CG-CB 4.27Å; Y368-V613 HydrophobicContact CG-CG1 3.69Å; Y368-G614 VanDerWaalsContact CE2-C 3.47Å; Y368-G614 WeakPolarHBondContact CE2-O 3.36Å
369E84.3Confident93.5Very high99 Ų9915.3 Ų15.346%0.4638%0.076SC..THydrogen-bonded Turntrans50.9-104.2-174.7-60.3-170.3-17600113.9K569E369-K569 IonicContact OE1-NZ 3.46Å; E369-K569 PolarHBondContact OE1-NZ 2.75Å; E369-K569 WeakPolarHBondContact OE2-CD 3.46Å; E369-K569 WeakPolarHBondContact OE2-CE 3.42Å; E369-K569 WeakPolarHBondContact OE2-CG 3.43Å; E369-K569 IonicContact OE2-NZ 3.35Å; E369-K569 PolarHBondContact OE2-NZ 2.95Å
370D88.2Confident93.5Very high37 Ų3715.2 Ų15.220%0.1988%0.076CC..THydrogen-bonded Turntrans-106.710.1179.960-6.9000113.3L323 L324 Y368 G570L323-D370 WeakPolarHBondContact CD1-O 3.27Å; L324-D370 WeakPolarHBondContact CB-O 3.36Å; L324-D370 PolarHBondContact N-O 3.24Å; Y368-D370 PolarHBondContact O-N 3.01Å; D370-G570 WeakPolarHBondContact OD1-CA 3.27Å; D370-G570 PolarHBondContact OD1-N 3.48Å; D370-G570 WeakPolarHBondContact OD2-CA 3.5Å; D370-G570 PolarHBondContact OD2-N 3.44Å
371V91.5Very high93.4Very high1 Ų115.2 Ų15.21%0.0068%0.076CC..EExtended strand (participates in β ladder)trans-118.5136177.3-174.90000110.6V321 L323 Y368 A573 A574 L577V321-V371 HydrophobicContact CG1-CG1 3.42Å; V321-V371 VanDerWaalsContact CG1-CG1 3.42Å; L323-V371 HydrophobicContact CD1-CG2 4.3Å; Y368-V371 PolarHBondContact N-O 3.3Å; Y368-V371 PolarHBondContact O-N 2.93Å; Y368-V371 VanDerWaalsContact O-O 3.11Å; V371-A573 HydrophobicContact CG2-CB 4.01Å; V371-A574 HydrophobicContact CG1-CB 4.09Å; V371-A574 HydrophobicContact CG2-CB 4.13Å; V371-L577 HydrophobicContact CB-CD1 4.47Å; V371-L577 HydrophobicContact CG1-CD1 3.92Å
372C92.4Very high93.1Very high0 Ų018.2 Ų18.20%09%0.09CC..EExtended strand (participates in β ladder)trans-121.2138.4171.564.40000111.7V321 R322 L324 T366 I367 L374V321-C372 WeakPolarHBondContact CA-O 3.43Å; R322-C372 PolarHBondContact N-O 2.77Å; R322-C372 PolarHBondContact O-N 3.19Å; L324-C372 HydrophobicContact CD1-CB 4.39Å; T366-C372 CarbonylContact O-C 3.53Å; T366-C372 WeakPolarHBondContact O-CA 3.41Å; I367-C372 HydrophobicContact CG1-CB 3.86Å; C372-L374 HydrophobicContact CB-CD2 4.35Å
373I95.7Very high92.8Very high4 Ų417.2 Ų17.22%0.0219%0.087CC..EExtended strand (participates in β ladder)trans-101.6116170.5-55.8176.6000106.9V321 C365 T366 L577 L581 I611 V613 I618V321-I373 HydrophobicContact CG2-CG1 4.41Å; C365-I373 CarbonylContact C-O 3.6Å; C365-I373 WeakPolarHBondContact CA-O 3.42Å; T366-I373 PolarHBondContact N-O 3.2Å; T366-I373 PolarHBondContact O-N 3.34Å; I373-L577 HydrophobicContact CD1-CD1 4.46Å; I373-L577 HydrophobicContact CD1-CD2 4.37Å; I373-L581 HydrophobicContact CD1-CD1 4.31Å; I373-L581 HydrophobicContact CD1-CD2 4.46Å; I373-L581 HydrophobicContact CG1-CD1 4.49Å; I373-L581 HydrophobicContact CG2-CD1 3.89Å; I373-L581 HydrophobicContact CG2-CD2 4.45Å; I373-I611 HydrophobicContact CD1-CG2 4.3Å; I373-V613 HydrophobicContact CD1-CG2 3.66Å; I373-I618 HydrophobicContact CD1-CD1 4.38Å
374L95.8Very high92.4Very high3 Ų318.7 Ų18.72%0.0169%0.094CC..EExtended strand (participates in β ladder)trans-98.7133.1175.6-45.3-179.6000108.5K319 S320 R322 W338 W339 L342 C372K319-L374 CarbonylContact C-O 3.5Å; K319-L374 VanDerWaalsContact CA-O 3.26Å; K319-L374 WeakPolarHBondContact CA-O 3.46Å; S320-L374 PolarHBondContact N-O 2.98Å; S320-L374 PolarHBondContact O-N 2.96Å; R322-L374 HydrophobicContact CG-CD1 3.95Å; W338-L374 HydrophobicContact CB-CD1 3.73Å; W338-L374 HydrophobicContact CD2-CD1 4.39Å; W338-L374 HydrophobicContact CE3-CD1 3.94Å; W338-L374 HydrophobicContact CG-CD1 4.37Å; W339-L374 HydrophobicContact CH2-CB 3.94Å; W339-L374 HydrophobicContact CH2-CD2 4.25Å; W339-L374 HydrophobicContact CZ2-CB 4.18Å; W339-L374 HydrophobicContact CZ2-CD2 3.71Å; W339-L374 HydrophobicContact CZ2-CG 4.37Å; W339-L374 HydrophobicContact CZ3-CB 4.31Å; L342-L374 HydrophobicContact CD1-CB 3.72Å; C372-L374 HydrophobicContact CB-CD2 4.35Å
375Q96.1Very high91.8Very high6 Ų621.4 Ų21.43%0.02811%0.114CC..EExtended strand (participates in β ladder)trans-133.1134.7175.4177.5174.8-12.700110.7S318 K319 E363 E364 Y377S318-Q375 WeakPolarHBondContact O-CA 3.48Å; K319-Q375 VanDerWaalsContact CE-OE1 3.23Å; K319-Q375 HydrophobicContact CG-CB 4.03Å; K319-Q375 HydrophobicContact CG-CG 3.95Å; E363-Q375 CarbonylContact C-O 3.57Å; E363-Q375 WeakPolarHBondContact CA-O 3.4Å; E364-Q375 HydrophobicContact CB-CB 4.44Å; E364-Q375 PolarHBondContact N-O 2.79Å; E364-Q375 PolarHBondContact O-N 3.45Å; Q375-Y377 HydrophobicContact CG-CD1 4.08Å
376S96Very high91.3Very high0 Ų028.9 Ų28.90%014%0.144CC..EExtended strand (participates in β ladder)trans-123.8142.9167.4-66.20000109.6A317 S318 I346 Y361 R362A317-S376 CarbonylContact C-O 3.52Å; A317-S376 VanDerWaalsContact CA-O 3.31Å; A317-S376 WeakPolarHBondContact CA-O 3.09Å; S318-S376 PolarHBondContact N-O 3.45Å; S318-S376 PolarHBondContact O-N 2.67Å; I346-S376 WeakPolarHBondContact CD1-O 3.46Å; Y361-S376 WeakPolarHBondContact OH-CB 3.21Å; Y361-S376 PolarHBondContact OH-OG 3.01Å; Y361-S376 VanDerWaalsContact OH-OG 3.11Å; R362-S376 WeakPolarHBondContact O-CA 3.35Å
377Y97.1Very high90.5Very high0 Ų030.7 Ų30.70%015%0.148CC..EExtended strand (participates in β ladder)trans-155.6159.6177.263-77.3000113.2I316 Y361 R362 E364 Q375 Y609I316-Y377 CarbonylContact O-C 3.57Å; I316-Y377 VanDerWaalsContact O-CA 3.27Å; I316-Y377 WeakPolarHBondContact O-CA 3.36Å; I316-Y377 WeakPolarHBondContact O-CB 3.34Å; Y361-Y377 WeakPolarHBondContact CA-O 3.41Å; Y361-Y377 WeakPolarHBondContact CD2-O 3.14Å; R362-Y377 HydrophobicContact CB-CD1 4.29Å; R362-Y377 HydrophobicContact CB-CE1 3.89Å; R362-Y377 HydrophobicContact CB-CE2 4.27Å; R362-Y377 PolarHBondContact N-O 3.18Å; R362-Y377 PolarHBondContact O-N 3Å; E364-Y377 HydrophobicContact CG-CE1 3.86Å; Q375-Y377 HydrophobicContact CG-CD1 4.08Å; Y377-Y609 HydrophobicContact CD2-CD2 4.12Å; Y377-Y609 HydrophobicContact CE2-CD2 4.04Å; Y377-Y609 HydrophobicContact CG-CD2 4.46Å; Y377-Y609 PolarHBondContact OH-N 2.59Å
378G96.7Very high89.5Confident0 Ų032.1 Ų32.10%016%0.155CC..EExtended strand (participates in β ladder)trans-176.3-176.7176.600000112I316 S541I316-G378 PolarHBondContact N-O 2.87Å; I316-G378 PolarHBondContact O-N 2.98Å; I316-G378 VanDerWaalsContact O-O 3.1Å; G378-S541 WeakPolarHBondContact CA-OG 3.29Å
379T96.5Very high87.8Confident0 Ų033.4 Ų33.40%016%0.163CC..EExtended strand (participates in β ladder)trans-109.9115.3-178.7-50.40000110.4F312 V358 L359 V381 S540 S541F312-T379 HydrophobicContact CD1-CG2 3.87Å; F312-T379 HydrophobicContact CE1-CG2 4.07Å; V358-T379 WeakPolarHBondContact CA-O 3.47Å; L359-T379 PolarHBondContact N-O 2.92Å; L359-T379 PolarHBondContact O-N 2.77Å; T379-V381 HydrophobicContact CG2-CG1 4.43Å; T379-S540 WeakPolarHBondContact CG2-OG 3.5Å; T379-S540 WeakPolarHBondContact OG1-CA 3.32Å; T379-S540 PolarHBondContact OG1-OG 3.07Å; T379-S540 VanDerWaalsContact OG1-OG 3.1Å; T379-S541 PolarHBondContact N-OG 3.29Å; T379-S541 PolarHBondContact OG1-N 3.45Å; T379-S541 PolarHBondContact OG1-OG 3.05Å
380A95.4Very high85.4Confident0 Ų036.3 Ų36.30%018%0.182CC..EExtended strand (participates in β ladder)trans-71.2131.3174.600000110.9G313 S314 I316 M350 C355 A357G313-A380 WeakPolarHBondContact CA-O 3.2Å; G313-A380 PolarHBondContact N-O 2.93Å; S314-A380 WeakPolarHBondContact O-CB 3.45Å; S314-A380 PolarHBondContact O-N 2.89Å; I316-A380 HydrophobicContact CD1-CB 3.49Å; I316-A380 VanDerWaalsContact CD1-CB 3.49Å; I316-A380 HydrophobicContact CG1-CB 3.98Å; M350-A380 HydrophobicContact CB-CB 4.46Å; M350-A380 HydrophobicContact CG-CB 4.06Å; C355-A380 HydrophobicContact CB-CB 3.83Å; A357-A380 WeakPolarHBondContact O-CA 3.45Å
381V93.1Very high82.6Confident0 Ų039.7 Ų39.70%020%0.199CC..EExtended strand (participates in β ladder)trans-139.4154.1-179.1-69.70000109.9I309 F312 C355 D356 A357 L359 T379 I383I309-V381 HydrophobicContact CD1-CG1 4.05Å; I309-V381 HydrophobicContact CG1-CB 4.46Å; I309-V381 HydrophobicContact CG1-CG1 4.16Å; I309-V381 HydrophobicContact CG2-CB 4.23Å; I309-V381 HydrophobicContact CG2-CG1 4.08Å; F312-V381 HydrophobicContact CD1-CG1 3.79Å; F312-V381 HydrophobicContact CE1-CG1 4.13Å; C355-V381 VanDerWaalsContact CB-O 3.3Å; C355-V381 WeakPolarHBondContact CB-O 3.38Å; C355-V381 VanDerWaalsContact SG-C 3.53Å; D356-V381 PolarHBondContact N-O 3.14Å; A357-V381 PolarHBondContact N-O 3.27Å; A357-V381 PolarHBondContact O-N 2.82Å; L359-V381 HydrophobicContact CB-CG2 3.98Å; L359-V381 HydrophobicContact CD1-CG1 4.4Å; L359-V381 HydrophobicContact CD1-CG2 4.01Å; T379-V381 HydrophobicContact CG2-CG1 4.43Å; V381-I383 HydrophobicContact CG2-CD1 4.43Å; V381-I383 HydrophobicContact CG2-CG1 3.87Å
382Q90.9Very high79.5Confident62 Ų6242.9 Ų42.929%0.2922%0.222SC..EExtended strand (participates in β ladder)trans-86.6120.4157-169.4-176.938.500108.9L310 H311 D356L310-Q382 HydrophobicContact CB-CB 4.31Å; L310-Q382 HydrophobicContact CB-CG 4.38Å; L310-Q382 HydrophobicContact CD1-CG 4.12Å; L310-Q382 PolarHBondContact N-O 2.79Å; H311-Q382 WeakPolarHBondContact CE1-CB 3.24Å; H311-Q382 PolarHBondContact CE1-OE1 3.05Å; H311-Q382 PolarHBondContact ND1-OE1 3.07Å; H311-Q382 VanDerWaalsContact ND1-OE1 3.13Å; H311-Q382 PolarHBondContact O-N 2.99Å; D356-Q382 WeakPolarHBondContact OD1-CA 3.18Å; D356-Q382 WeakPolarHBondContact OD2-CG 3.17Å
383I88.8Confident76.4Confident2 Ų252.9 Ų52.91%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-86.1140.7175.6-70.6-174.1000110.8L299 M308 D356 A357 V381 P385 W387 I388L299-I383 HydrophobicContact CD1-CD1 3.47Å; L299-I383 VanDerWaalsContact CD1-CD1 3.47Å; M308-I383 HydrophobicContact CG-CG2 4.4Å; M308-I383 WeakPolarHBondContact O-CA 3.45Å; D356-I383 PolarHBondContact OD1-N 2.81Å; A357-I383 HydrophobicContact CB-CD1 3.37Å; A357-I383 HydrophobicContact CB-CG1 3.84Å; V381-I383 HydrophobicContact CG2-CD1 4.43Å; V381-I383 HydrophobicContact CG2-CG1 3.87Å; I383-P385 VanDerWaalsContact O-CD 3.26Å; I383-P385 WeakPolarHBondContact O-CD 3.15Å; I383-W387 HydrophobicContact CG2-CB 4.16Å; I383-I388 HydrophobicContact CB-CD1 4.06Å; I383-I388 HydrophobicContact CG2-CD1 3.79Å; I383-I388 HydrophobicContact CG2-CG1 3.87Å
384N86.1Confident72.9Confident30 Ų3061.7 Ų61.716%0.1630%0.299CS..  trans-64115171175.6-3.1000109.8G307 M308 L310 K386 W387G307-N384 WeakPolarHBondContact O-CB 3.49Å; G307-N384 PolarHBondContact O-ND2 2.92Å; M308-N384 PolarHBondContact O-N 2.84Å; L310-N384 HydrophobicContact CD1-CB 4.5Å; L310-N384 HydrophobicContact CD2-CB 3.88Å; L310-N384 HydrophobicContact CG-CB 3.92Å; N384-K386 PolarHBondContact O-N 3.36Å; N384-K386 WeakPolarHBondContact OD1-CG 3.26Å; N384-K386 PolarHBondContact OD1-N 3.04Å; N384-W387 PolarHBondContact O-N 3.25Å
385P81.5Confident69.5Low81 Ų8168.6 Ų68.653%0.52633%0.334SS..THydrogen-bonded Turntrans-56.6-19.6-169.1-3036.7000115.7I383 W387 I388 N389I383-P385 VanDerWaalsContact O-CD 3.26Å; I383-P385 WeakPolarHBondContact O-CD 3.15Å; P385-W387 PolarHBondContact O-N 3.05Å; P385-I388 PolarHBondContact O-N 3.44Å; P385-I388 VanDerWaalsContact O-N 3.14Å; P385-N389 PolarHBondContact O-N 3.11Å
386K81.8Confident66.1Low181 Ų18173.1 Ų73.179%0.78736%0.363SS*.THydrogen-bonded Turntrans-55.9-28.3172.9-64.6177.5-178.21780113.9N384N384-K386 PolarHBondContact O-N 3.36Å; N384-K386 WeakPolarHBondContact OD1-CG 3.26Å; N384-K386 PolarHBondContact OD1-N 3.04Å
387W75.5Confident62.7Low66 Ų6680.3 Ų80.325%0.2540%0.401CS..THydrogen-bonded Turntrans-81.2-31.2178.1-72.393.3000113L161 L305 G307 M308 I383 N384 P385L161-W387 WeakPolarHBondContact CB-O 3.49Å; L305-W387 HydrophobicContact CB-CH2 3.66Å; L305-W387 HydrophobicContact CB-CZ2 3.8Å; L305-W387 HydrophobicContact CB-CZ3 4.26Å; L305-W387 HydrophobicContact CD1-CE3 4.03Å; L305-W387 HydrophobicContact CD1-CH2 3.65Å; L305-W387 HydrophobicContact CD1-CZ2 4.46Å; L305-W387 HydrophobicContact CD1-CZ3 3.4Å; L305-W387 VanDerWaalsContact CD1-CZ3 3.4Å; L305-W387 HydrophobicContact CG-CH2 4.29Å; L305-W387 HydrophobicContact CG-CZ3 4.48Å; G307-W387 PolarHBondContact O-NE1 2.86Å; M308-W387 HydrophobicContact CB-CD2 4.4Å; M308-W387 HydrophobicContact CB-CG 4.41Å; M308-W387 HydrophobicContact CB-CZ2 4.47Å; M308-W387 HydrophobicContact CG-CB 4.49Å; M308-W387 HydrophobicContact CG-CD2 4.14Å; M308-W387 HydrophobicContact CG-CG 3.93Å; M308-W387 HydrophobicContact SD-CD2 4.49Å; I383-W387 HydrophobicContact CG2-CB 4.16Å; N384-W387 PolarHBondContact O-N 3.25Å; P385-W387 PolarHBondContact O-N 3.05Å
388I69.2Low59.3Low78 Ų7886.9 Ų86.940%0.444%0.442SS..THydrogen-bonded Turntrans-84-34.9-176.4-63173.1000110.9I383 P385I383-I388 HydrophobicContact CB-CD1 4.06Å; I383-I388 HydrophobicContact CG2-CD1 3.79Å; I383-I388 HydrophobicContact CG2-CG1 3.87Å; P385-I388 PolarHBondContact O-N 3.44Å; P385-I388 VanDerWaalsContact O-N 3.14Å
389N52.3Low56Low51 Ų5194.5 Ų94.527%0.27348%0.482SS..  trans-146.2132.8-164.7-129-28.6000118P385 L391 S392P385-N389 PolarHBondContact O-N 3.11Å; N389-L391 VanDerWaalsContact OD1-C 3.29Å; N389-L391 VanDerWaalsContact OD1-CA 3.26Å; N389-L391 WeakPolarHBondContact OD1-CA 3.41Å; N389-L391 PolarHBondContact OD1-N 2.98Å; N389-S392 VanDerWaalsContact ND2-CB 3.32Å; N389-S392 WeakPolarHBondContact ND2-CB 3.36Å; N389-S392 PolarHBondContact ND2-N 2.88Å; N389-S392 PolarHBondContact ND2-OG 3.23Å
390N32.8Very low53Low161 Ų16199.9 Ų99.986%0.86152%0.52SS*.SBendtrans-98.81.4157.2-118-34.9000111.7
391L30.3Very low49.8Very low107 Ų107108 Ų10856%0.5656%0.562SS**SBendtrans-149.836.3-160.6-117.5146.7000116.1I287 N389I287-L391 HydrophobicContact CB-CD2 4.36Å; I287-L391 HydrophobicContact CD1-CD1 3.67Å; I287-L391 HydrophobicContact CD1-CD2 4.11Å; I287-L391 HydrophobicContact CG2-CD1 4.47Å; I287-L391 HydrophobicContact CG2-CD2 4.28Å; N389-L391 VanDerWaalsContact OD1-C 3.29Å; N389-L391 VanDerWaalsContact OD1-CA 3.26Å; N389-L391 WeakPolarHBondContact OD1-CA 3.41Å; N389-L391 PolarHBondContact OD1-N 2.98Å
392S25.6Very low46.7Very low68 Ų68112 Ų11248%0.47660%0.604SS.*  trans-146.994.415673.90000113.2N389N389-S392 VanDerWaalsContact ND2-CB 3.32Å; N389-S392 WeakPolarHBondContact ND2-CB 3.36Å; N389-S392 PolarHBondContact ND2-N 2.88Å; N389-S392 PolarHBondContact ND2-OG 3.23Å
393Y27Very low43.6Very low211 Ų211120.5 Ų120.583%0.82763%0.633SS**  trans-17878143-100.1-63.7000110.4I395Y393-I395 HydrophobicContact CD1-CD1 4.08Å; Y393-I395 HydrophobicContact CD1-CG1 4.26Å; Y393-I395 HydrophobicContact CE1-CD1 3.86Å; Y393-I395 HydrophobicContact CE1-CG1 4.49Å
394K22.3Very low40.7Very low189 Ų189128.3 Ų128.382%0.82267%0.673SS**  trans-117.681.2158.9-95.4-169.6174.6-179.10109.3T396K394-T396 PolarHBondContact O-N 3.22Å
395I25.3Very low37.7Very low147 Ų147131.5 Ų131.575%0.75470%0.698SS**  trans-84.492.9163.7-62.1177.3000106.6Y393Y393-I395 HydrophobicContact CD1-CD1 4.08Å; Y393-I395 HydrophobicContact CD1-CG1 4.26Å; Y393-I395 HydrophobicContact CE1-CD1 3.86Å; Y393-I395 HydrophobicContact CE1-CG1 4.49Å
396T23.5Very low35Very low102 Ų102134.3 Ų134.363%0.62671%0.713SS**  trans-120.979.3179.253.90000110.9K394K394-T396 PolarHBondContact O-N 3.22Å
397N26.1Very low32.2Very low150 Ų150131.3 Ų131.380%0.80271%0.71SS**  180126.4120.8-89.4-12.7000110.9
398T24.2Very low29.8Very low139 Ų139135.5 Ų135.585%0.85374%0.737SS**  trans-73.1127.5163.447.30000109.6
399N28.9Very low27.7Very low160 Ų160136.1 Ų136.186%0.85675%0.753SS**  trans-132.1149.1158.7-102.1-23.4000109.3L401N399-L401 PolarHBondContact O-N 2.92Å
400S32.2Very low26.4Very low113 Ų113142.6 Ų142.679%0.7978%0.779SS**SBendtrans-78.7106.7-163.8540000113.4
401L28.2Very low26Very low170 Ų170140.1 Ų140.189%0.8978%0.781SS**  trans176.9120.5132-95.3160.5000109.7N399 R403N399-L401 PolarHBondContact O-N 2.92Å; L401-R403 PolarHBondContact O-N 3.04Å; L401-R403 VanDerWaalsContact O-N 3.15Å
402G29Very low25.8Very low84 Ų84139.4 Ų139.487%0.86679%0.785SS**  trans-77.998.8-171.100000114.4
403R26.3Very low25.7Very low241 Ų241146 Ų14691%0.90981%0.805SS**  trans-146.5118.2157.4-96.6-178.7177.4157.90.5110L401L401-R403 PolarHBondContact O-N 3.04Å; L401-R403 VanDerWaalsContact O-N 3.15Å
404I26.8Very low25.6Very low166 Ų166146 Ų14685%0.85181%0.809SS**  trans-89.2109.8172.6-60.9175.3000108.1V406I404-V406 HydrophobicContact CG2-CG2 4.45Å
405S23.8Very low25.7Very low97 Ų97144.8 Ų144.868%0.67881%0.81SS**  trans-103.1111.4168.855.70000109.7T407S405-T407 PolarHBondContact O-N 3.4Å
406V24.3Very low25.7Very low140 Ų140143.1 Ų143.185%0.84881%0.81SS**  trans-7591.9173.9-178.70000108.9I404 L408I404-V406 HydrophobicContact CG2-CG2 4.45Å; V406-L408 PolarHBondContact O-N 3.26Å
407T23.4Very low25.7Very low118 Ų118147.3 Ų147.372%0.72482%0.822SS**  trans-86.8104.2175.7-53.20000109.9S405 A409S405-T407 PolarHBondContact O-N 3.4Å; T407-A409 PolarHBondContact O-N 2.91Å; T407-A409 VanDerWaalsContact O-N 3.11Å
408L24.8Very low25.7Very low154 Ų154145.4 Ų145.481%0.80682%0.821SS**  trans-63.5109172.7-173.573.5000109.9V406 K410V406-L408 PolarHBondContact O-N 3.26Å; L408-K410 PolarHBondContact O-N 3.03Å; L408-K410 VanDerWaalsContact O-N 3.16Å
409A25.8Very low25.9Very low90 Ų90146.7 Ų146.774%0.74482%0.821SS**  trans-69.6109.7178.900000110.6T407 A411T407-A409 PolarHBondContact O-N 2.91Å; T407-A409 VanDerWaalsContact O-N 3.11Å; A409-A411 PolarHBondContact O-N 2.7Å
410K24Very low25.6Very low188 Ų188144 Ų14482%0.81781%0.814SS**  trans-71.188.9173.8-75.7-177173.41800110.8L408 S412L408-K410 PolarHBondContact O-N 3.03Å; L408-K410 VanDerWaalsContact O-N 3.16Å; K410-S412 PolarHBondContact O-N 2.73Å
411A24.4Very low25.5Very low109 Ų109145 Ų14590%0.90182%0.816SS**  trans-73.258169.100000111.7A409A409-A411 PolarHBondContact O-N 2.7Å
412S25.5Very low25.5Very low91 Ų91141.3 Ų141.364%0.63681%0.805SS**  trans-150.655.3-177.154.20000113.8K410K410-S412 PolarHBondContact O-N 2.73Å
413K25Very low25.4Very low206 Ų206144.4 Ų144.490%0.89680%0.801SS**  trans-176.197.7154-107.7165.7-176-176.30112.7
414K24Very low25.4Very low213 Ų213143.9 Ų143.993%0.92680%0.801SS**  trans177.972.6144.1-104.2-179.3176.5-172.10112.9
415I25Very low25.3Very low162 Ų162146.4 Ų146.483%0.83181%0.806SS**  trans-133.9150.6156-62.6-176.3000106.3
416C24.8Very low25.5Very low112 Ų112146 Ų14676%0.75781%0.809SS**  trans67.287.7-177-64.50000117
417E23.3Very low25.6Very low190 Ų190145.8 Ų145.889%0.88881%0.808SS**  -123.4141.5130-79.9-170.7149.500108
418S25.9Very low25.9Very low111 Ų111147.5 Ų147.578%0.77681%0.811SS**SBendtrans60.8137.7-156770000113.7
419I28.4Very low25.9Very low166 Ų166147.5 Ų147.585%0.85181%0.812SS**  cis-114.7147.53.7-67.5171.8000110.4
420S23.3Very low26Very low102 Ų102154.3 Ų154.371%0.71382%0.819SS**  trans-90135.3179.354.10000113.7
421T29.7Very low26.1Very low134 Ų134151.1 Ų151.182%0.82282%0.819SS**  trans-165.9131.3133.419.60000113.4
422S29.1Very low26.2Very low94 Ų94152.9 Ų152.966%0.65782%0.818SS**  trans47.7108151.161.80000122.2
423N26.2Very low26.6Very low149 Ų149153.4 Ų153.480%0.79782%0.822SS**  57.2110.9119.9-51.4-7.2000120.5
424Y26Very low26.8Very low230 Ų230152.9 Ų152.990%0.90282%0.82SS**  -166.595.2113.3-114.5-75000111.1
425F25.8Very low27.2Very low218 Ų218152.2 Ų152.296%0.95682%0.817SS**  trans-158.8108.3161.4-104.9-66000112.7
426A26.9Very low27.6Very low90 Ų90149.6 Ų149.674%0.74481%0.81SS**  trans-160.5139.5157.300000104.1
427T27.5Very low27.7Very low134 Ų134150.6 Ų150.682%0.82282%0.817SS**  cis-147.4172.520.5-11.40000106.3
428I29.4Very low27.9Very low154 Ų154147.6 Ų147.679%0.7981%0.812SS**  cis-152.4141.445.8-70.7175.7000109.8
429D24.6Very low28.1Very low155 Ų155153.5 Ų153.583%0.82982%0.817SS**  trans-87.4126.7163.9-116.8-42.6000111.3
430R26.7Very low28Very low233 Ų233150.5 Ų150.588%0.87981%0.811SS**  trans-175.1116.6146.2-114.9172.5174149.7-0.8114.3
431C27.7Very low28.2Very low121 Ų121151.4 Ų151.482%0.81882%0.816SS**  -173.8123.3104.3-107.10000112.3
432T26.6Very low28Very low145 Ų145150.5 Ų150.589%0.8982%0.815SS**  trans-137.8128.8168.253.40000110.8
433S32.2Very low28.4Very low103 Ų103150.8 Ų150.872%0.7281%0.814SS**  trans-159.3113169.754.20000113.6
434K30.8Very low28.4Very low194 Ų194150.2 Ų150.284%0.84381%0.811SS**  trans59.1110.5141.4-54.1169.8-173.4175.50116.8
435K31.7Very low28.4Very low199 Ų199148.1 Ų148.187%0.86581%0.807SS**  63.5149.972.7-76.1-167174.8-173.90114.3
436P32.9Very low28.5Very low107 Ų107143.4 Ų143.470%0.69580%0.797SS**  cis-141.2179.7-33.140.4-24.1000113.3
437C28.1Very low28.4Very low134 Ų134144.7 Ų144.791%0.90580%0.8SS**  trans-151.7152.9149.2-1340000111.7
438T26.3Very low28.4Very low126 Ų126142.2 Ų142.277%0.77379%0.793SS**  trans-146.6134.4-162.3510000114
439R30.3Very low28.3Very low236 Ų236145.2 Ų145.289%0.89180%0.795SS**  trans-155.6113.3150.1-94.9168.2-175.9-172.60.5105.3
440S27.1Very low28.5Very low103 Ų103144.9 Ų144.972%0.7279%0.788SS**  53.7125.274.275.10000112.2
441C27.7Very low28.5Very low121 Ų121138.3 Ų138.382%0.81878%0.777SS**  cis-134.3163.132.5-61.60000115.9
442S24.5Very low28.3Very low114 Ų114139.2 Ų139.280%0.79777%0.773SS**  trans-113-166.9161.1-46.20000107.1
443P37.7Very low28.2Very low100 Ų100139.5 Ų139.565%0.64976%0.764SS**  cis-141-176.60.645.7-27.3000116.3
444D25.7Very low27.9Very low137 Ų137141.1 Ų141.173%0.73376%0.764SS**  trans49.1142.4149.2-50.6-23.1000121
445F27.7Very low27.6Very low187 Ų187136.3 Ų136.382%0.8275%0.754SS**  -155170.853.4-128.7-93.1000115.8
446T25.9Very low27.2Very low119 Ų119131.9 Ų131.973%0.7375%0.748SS**  trans-80.7177.8176.352.10000112.8
447S25.3Very low26.9Very low116 Ų116131.7 Ų131.781%0.81175%0.75SS**  cis178.3143.3-26.2171.10000107.9
448A27.8Very low26.6Very low82 Ų82134 Ų13468%0.67875%0.747SS**  trans-166.6125162.600000116.2
449R27.5Very low26.7Very low218 Ų218135 Ų13582%0.82375%0.754SS**  trans58.7144.6134.5-64.7174.4-175.4176.31.1120
450H29.1Very low26.5Very low147 Ų147130 Ų13068%0.68175%0.749SS**  cis-142.5142.1-4.6-99-57.9000107.1
451S26.1Very low26.7Very low95 Ų95131.1 Ų131.166%0.66475%0.754SS**  60131.775.5-41.10000114.5
452L23Very low26.7Very low140 Ų140131.5 Ų131.573%0.73375%0.752SS**  cis-176168.5-18.3-124.5173.6000108.9
453H25.6Very low27.1Very low152 Ų152132 Ų13270%0.70475%0.753SS**  trans66.1161.6163.1-67.2-63.6000120.2
454I25.6Very low26.5Very low137 Ų137132.2 Ų132.270%0.70376%0.757SS**  cis-161.6155.8-45-138.6-179.8000111.4
455S23.4Very low26.8Very low93 Ų93130.8 Ų130.865%0.6576%0.755SS**  trans56124156.971.70000125.6
456S23.3Very low26.8Very low106 Ų106128.7 Ų128.774%0.74176%0.757SS**  85141121.264.90000126.2
457S26.8Very low26.6Very low103 Ų103128.2 Ų128.272%0.7276%0.759SS**  trans74101.3146.956.10000123.3
458E22.6Very low26.7Very low182 Ų182127.9 Ų127.985%0.8576%0.757SS**  24.8125.6129.1-57-178.3145.100122.4
459T27.7Very low26.5Very low148 Ų148133.6 Ų133.691%0.90876%0.762SS**  -169.5164.6118.813.60000111.6
460T27.3Very low26.3Very low131 Ų131129.6 Ų129.680%0.80476%0.757SS**  trans-112163.5-178.6630000111.5
461P30.4Very low26.2Very low125 Ų125131.9 Ų131.981%0.81277%0.765SS**  -147.9-175.687.538.4-19.4000115.3
462V28.4Very low25.9Very low130 Ų130135.7 Ų135.779%0.78877%0.772SS**  trans-114.9148.7-176.3-178.30000110.9
463P31.8Very low26Very low125 Ų125134.7 Ų134.781%0.81278%0.777SS**  -138.9146.412836.8-24.9000114.4
464S26.5Very low25.9Very low104 Ų104137.8 Ų137.873%0.72778%0.784SS**  trans-92.4172.5159.857.90000110.1
465P31.9Very low25.8Very low107 Ų107138.5 Ų138.570%0.69578%0.782SS**  -157.6162.9102.440-21.5000118.5
466T26.7Very low25.8Very low142 Ų142140.3 Ų140.387%0.87178%0.78SS**  trans68.2156.1145.146.40000122.8
467S22.7Very low25.8Very low109 Ų109142.5 Ų142.576%0.76278%0.779SS**  trans-132.8168.3-179.159.20000110.6
468S26.2Very low25.9Very low109 Ų109143.1 Ų143.176%0.76278%0.778SS**  trans-174126.6141.424.40000116.9
469Y24.4Very low26.1Very low203 Ų203140.4 Ų140.480%0.79678%0.775SS**  trans61.6114.7135.3-76.6-108.6000123.8
470N23.1Very low26.3Very low134 Ų134138.6 Ų138.672%0.71777%0.765SS**  58.1146.9123-55.16.5000120.1
471K26.4Very low26.3Very low195 Ų195138.8 Ų138.885%0.84876%0.761SS**  cis-166.2173.844.1-149.8171-174.8-179.60112.3
472E21Very low26.2Very low175 Ų175142.1 Ų142.182%0.81876%0.763SS**  trans-95154.1-176.6-49.9148.7114.400114.3
473S24.7Very low26Very low119 Ų119142 Ų14283%0.83277%0.766SS**  trans-175.1159.8135.754.10000114.5
474Y22.4Very low25.7Very low216 Ų216144.3 Ų144.385%0.84777%0.771SS**  trans-82.3-178.3-177.4-67.6-100.6000112.4
475K24.1Very low25.8Very low152 Ų152144.6 Ų144.666%0.66177%0.771SS**  cis-179.3160.143.5-142.3165.2170-87.80112.8
476E24.3Very low25.4Very low131 Ų131148.5 Ų148.561%0.61278%0.779SS**  trans64.1149.9154-98116.8-135.100120.7
477E23.3Very low25.3Very low153 Ų153151 Ų15172%0.71578%0.778SS**  cis-161.9162.9-6-146.6172.5-151.900114.5
478T28.5Very low25.4Very low115 Ų115154.6 Ų154.671%0.70678%0.78SS**  trans66.3153162.868.40000121
479T27.2Very low25.5Very low126 Ų126156.1 Ų156.177%0.77378%0.778SS**  cis-169.4176.3-37.641.20000107.8
480P31.6Very low25.5Very low110 Ų110155.7 Ų155.771%0.71478%0.781SS**  -125.5-151.2-54.140.9-24.7000112.5
481D26.5Very low25.5Very low135 Ų135157.1 Ų157.172%0.72278%0.783SS**  trans77.976.9162.7-84.929.5000121.6
482K29Very low25.5Very low195 Ų195154 Ų15485%0.84878%0.775SS**  176.1124.692.3-94.8168.5-176.2170.70112.9
483C23Very low25.8Very low126 Ų126153 Ų15385%0.85177%0.774SS**  trans-106.6140.5179.5-62.70000112.6
484L26.3Very low25.7Very low174 Ų174155 Ų15591%0.91178%0.775SS**  trans-130.2129.4148.5-81.6174.8000108.2
485P27.9Very low25.8Very low111 Ų111151.1 Ų151.172%0.72177%0.769SS**  trans-97.3151.3-155.735.9-37.2000116.1K487P485-K487 PolarHBondContact O-N 3.44Å
486H24.7Very low26Very low189 Ų189148.3 Ų148.388%0.87577%0.769SS**  trans-60.5106.5164.2-120.1-107.6000111.2
487K23.5Very low26.7Very low195 Ų195149 Ų14985%0.84878%0.782SS**  trans-162.957.7167.3-122.9177-173-175.90115.4P485P485-K487 PolarHBondContact O-N 3.44Å
488K25.5Very low27.8Very low184 Ų184149.6 Ų149.680%0.878%0.782SS**  trans-140.157.7168.1-84.7-152172.3-162.70113.9
489I28.5Very low29.1Very low141 Ų141147 Ų14772%0.72377%0.767SS**SBendtrans-136.3136.5155.9-49.9179.8000105.2
490F24.2Very low31.2Very low194 Ų194145.3 Ų145.385%0.85175%0.753SS**SBendtrans63.657.7-172.3-59-78.7000116.5
491H23.7Very low33.9Very low164 Ų164140.9 Ų140.976%0.75972%0.724SS**  trans-150.227.7161.9-127.1-64.5000117.2
492D25.5Very low36.9Very low129 Ų129139.2 Ų139.269%0.6971%0.712SS**  trans-11834.8-176.8-71.9-64000113.9
493I27.5Very low39.8Very low154 Ų154130.2 Ų130.279%0.7967%0.673SS**SBendtrans-110.9-18.8179.2-66.9178000113.4
494N22.3Very low42.9Very low160 Ų160124.5 Ų124.586%0.85663%0.634SS**SBendtrans-130.368.4179.7-89.2-39000111.7
495N24.9Very low46Very low136 Ų136117.8 Ų117.873%0.72760%0.598SS**SBendtrans-126.8145161.9-100.5-45.4000108.8V497N495-V497 PolarHBondContact O-N 2.5Å
496S29.4Very low48.7Very low93 Ų93114.5 Ų114.565%0.6558%0.575SS**  trans-19124.7176.4175.70000115.2K498S496-K498 PolarHBondContact O-N 2.84Å
497V38.7Very low51.1Low146 Ų146108.6 Ų108.689%0.88555%0.553SS**  trans-66.182.7170.9-175.80000109.1N495N495-V497 PolarHBondContact O-N 2.5Å
498K46.4Very low53Low164 Ų164104 Ų10471%0.71355%0.545SS*.  trans-68.5131.1167-67-177.9178.7-177.70107.5S496 N500S496-K498 PolarHBondContact O-N 2.84Å; K498-N500 PolarHBondContact O-N 2.9Å
499P55.8Low54.4Low61 Ų61100.7 Ų100.740%0.39654%0.541SS..  trans-56.4137.7178.117.7-27.3000110.5C501 I528 V549P499-C501 PolarHBondContact O-N 2.86Å; P499-C501 PolarHBondContact O-SG 2.96Å; P499-C501 VanDerWaalsContact O-SG 3.38Å; P499-I528 HydrophobicContact CB-CD1 4.15Å; P499-I528 HydrophobicContact CG-CD1 4.04Å; P499-I528 HydrophobicContact CG-CG1 4.37Å; P499-I528 HydrophobicContact CG-CG2 3.88Å; P499-V549 HydrophobicContact CB-CG2 3.84Å
500N71.7Confident55Low91 Ų9198 Ų9849%0.48753%0.534SS..  trans-79.760.1-157.7-163.721.6000113.7K498 H502K498-N500 PolarHBondContact O-N 2.9Å; N500-H502 PolarHBondContact O-N 3.18Å
501C88.1Confident55.6Low16 Ų1697 Ų9711%0.10854%0.538CS..G310 helixtrans-57.5-13.9-177.644.30000115.6P499 I503 C504 H505 I528 A631P499-C501 PolarHBondContact O-N 2.86Å; P499-C501 PolarHBondContact O-SG 2.96Å; P499-C501 VanDerWaalsContact O-SG 3.38Å; C501-I503 PolarHBondContact O-N 2.96Å; C501-C504 PolarHBondContact O-N 2.94Å; C501-H505 PolarHBondContact O-CD2 2.84Å; C501-H505 PolarHBondContact O-N 2.98Å; C501-H505 PolarHBondContact O-NE2 2.81Å; C501-I528 HydrophobicContact CB-CB 4.09Å; C501-I528 HydrophobicContact CB-CD1 4.11Å; C501-I528 HydrophobicContact CB-CG2 4.12Å; C501-A631 HydrophobicContact CB-CB 4.07Å
502H87.8Confident56.3Low101 Ų10195.4 Ų95.447%0.46854%0.54SS..G310 helixtrans-51.8-39.2179.8-171.2-66.5000113.3L310 N500 C504 H505L310-H502 PolarHBondContact O-CE1 2.95Å; L310-H502 PolarHBondContact O-ND1 2.83Å; N500-H502 PolarHBondContact O-N 3.18Å; H502-C504 PolarHBondContact O-N 2.84Å; H502-C504 VanDerWaalsContact O-N 3.11Å; H502-H505 WeakPolarHBondContact O-CB 3.42Å; H502-H505 PolarHBondContact O-N 2.77Å
503I89.7Confident57Low6 Ų694.5 Ų94.53%0.03154%0.535CS..G310 helixtrans-61.4-21.5-179.2-167166.3000113.5I309 H311 F312 C501 P545 E547 L548I309-I503 HydrophobicContact CB-CD1 3.95Å; I309-I503 HydrophobicContact CB-CG1 4.24Å; I309-I503 HydrophobicContact CD1-CD1 4.48Å; I309-I503 HydrophobicContact CG2-CD1 4.05Å; I309-I503 HydrophobicContact CG2-CG1 3.81Å; H311-I503 WeakPolarHBondContact CA-O 3.25Å; F312-I503 HydrophobicContact CD2-CG1 3.92Å; F312-I503 HydrophobicContact CE2-CD1 3.96Å; F312-I503 HydrophobicContact CE2-CG1 3.84Å; F312-I503 PolarHBondContact N-O 3.22Å; F312-I503 VanDerWaalsContact N-O 3.12Å; C501-I503 PolarHBondContact O-N 2.96Å; I503-P545 HydrophobicContact CD1-CB 3.66Å; I503-P545 HydrophobicContact CD1-CG 3.68Å; I503-E547 HydrophobicContact CD1-CG 3.73Å; I503-L548 HydrophobicContact CG2-CD1 3.73Å
504C90.1Very high57.7Low5 Ų592.4 Ų92.43%0.03453%0.531CS..G310 helixtrans-99.7-6.4176.5-58.50000113.7C501 H502 V534 P535 L548 A631 L632C501-C504 PolarHBondContact O-N 2.94Å; H502-C504 PolarHBondContact O-N 2.84Å; H502-C504 VanDerWaalsContact O-N 3.11Å; C504-V534 HydrophobicContact CB-CG1 4.37Å; C504-V534 WeakPolarHBondContact O-CG1 3.34Å; C504-P535 WeakPolarHBondContact O-CD 3.41Å; C504-L548 VanDerWaalsContact SG-CD1 3.56Å; C504-A631 HydrophobicContact CB-CB 3.84Å; C504-L632 HydrophobicContact CB-CD1 3.71Å
505H90.2Very high58.5Low33 Ų3390.7 Ų90.715%0.15352%0.522CS..PPolyproline II helixtrans-76.7130.8-177.6-66.5174.8000110.8H311 C501 H502 C529 A532 N533H311-H505 VanDerWaalsContact CB-O 3.28Å; H311-H505 WeakPolarHBondContact CB-O 3.21Å; C501-H505 PolarHBondContact O-CD2 2.84Å; C501-H505 PolarHBondContact O-N 2.98Å; C501-H505 PolarHBondContact O-NE2 2.81Å; H502-H505 WeakPolarHBondContact O-CB 3.42Å; H502-H505 PolarHBondContact O-N 2.77Å; H505-C529 VanDerWaalsContact CE1-SG 3.6Å; H505-C529 PolarHBondContact NE2-SG 3.45Å; H505-A532 HydrophobicContact CB-CB 4.06Å; H505-A532 VanDerWaalsContact CG-CB 3.48Å; H505-A532 WeakPolarHBondContact ND1-CB 2.97Å; H505-N533 WeakPolarHBondContact CA-O 3.41Å
506L85.5Confident59.1Low43 Ų4393.1 Ų93.123%0.22552%0.521CS..PPolyproline II helixtrans-68142.5168.3-61.8174.5000109.7S508 N533L506-S508 PolarHBondContact O-N 2.9Å; L506-N533 HydrophobicContact CD1-CB 4.32Å; L506-N533 PolarHBondContact N-O 2.89Å
507P74.9Confident59.7Low65 Ų6593.7 Ų93.742%0.42251%0.512SS..PPolyproline II helixtrans-61.9124.5-177.924-32.9000110.8T509P507-T509 PolarHBondContact O-N 3.44Å; P507-T509 VanDerWaalsContact O-N 3.15Å
508S63.2Low59.5Low97 Ų9793.1 Ų93.168%0.67851%0.509SS*.  trans-68.9111.5-174.7-61.30000111.8L506 S510L506-S508 PolarHBondContact O-N 2.9Å; S508-S510 PolarHBondContact O-N 2.95Å; S508-S510 VanDerWaalsContact O-N 3.07Å; S508-S510 PolarHBondContact O-OG 3.27Å; S508-S510 VanDerWaalsContact O-OG 3.04Å
509T53.5Low59.3Low115 Ų11586.9 Ų86.971%0.70649%0.486SS*.  trans-60.1107.3177.337.40000110.9P507 F517P507-T509 PolarHBondContact O-N 3.44Å; P507-T509 VanDerWaalsContact O-N 3.15Å; T509-F517 HydrophobicContact CG2-CB 4.48Å
510S43.1Very low58.9Low84 Ų8488.7 Ų88.759%0.58750%0.498SS*.  trans-124.793.2-175.332.20000112.1S508 T512S508-S510 PolarHBondContact O-N 2.95Å; S508-S510 VanDerWaalsContact O-N 3.07Å; S508-S510 PolarHBondContact O-OG 3.27Å; S508-S510 VanDerWaalsContact O-OG 3.04Å; S510-T512 VanDerWaalsContact C-N 3.27Å; S510-T512 PolarHBondContact O-N 3.42Å; S510-T512 PolarHBondContact O-OG1 3.44Å
511D36.6Very low58Low173 Ų17387.5 Ų87.593%0.92549%0.494SS*.SBendtrans50.418.5147.7-56.8-18.4000120.2
512T37.1Very low56.8Low131 Ų13190.6 Ų90.680%0.80451%0.512SS*.SBendtrans-125.9-2-177.646.90000116S510S510-T512 VanDerWaalsContact C-N 3.27Å; S510-T512 PolarHBondContact O-N 3.42Å; S510-T512 PolarHBondContact O-OG1 3.44Å
513N40.9Very low56.4Low110 Ų11087.6 Ų87.659%0.58850%0.503SS*.  trans-161.4117.9162.3-120.9-43.8000111.2N515N513-N515 PolarHBondContact O-N 3.02Å
514P41.2Very low56.3Low110 Ų11088.6 Ų88.671%0.71451%0.51SS*.THydrogen-bonded Turntrans-73-14.917830-34.8000113.3R516P514-R516 PolarHBondContact O-N 2.82Å
515N39.1Very low56.3Low125 Ų12595.7 Ų95.767%0.66854%0.536SS*.THydrogen-bonded Turntrans-97.339.1-179.5-65.222.2000112.3N513N513-N515 PolarHBondContact O-N 3.02Å
516R38.1Very low56.4Low186 Ų18694.1 Ų94.170%0.70253%0.529SS*.SBendtrans-138.3126.1166.8-77.5-170.5170.2-172-6.2109.2P514P514-R516 PolarHBondContact O-N 2.82Å
517F41.5Very low56.6Low105 Ų10594.2 Ų94.246%0.46154%0.536SS..  trans61.460.6-178.6-69-84000116.6S352 T509 S519S352-F517 WeakPolarHBondContact O-CZ 3.35Å; T509-F517 HydrophobicContact CG2-CB 4.48Å; F517-S519 PolarHBondContact O-N 3.45Å
518T34.9Very low57.3Low135 Ų13593.8 Ų93.883%0.82853%0.53SS*.  trans-86.554.1144.754.10000109.9
519S43.3Very low58.6Low33 Ų3391.5 Ų91.523%0.23151%0.513CS..  trans-107.3128.5-177.1-176.80000110.4F517 V521 F752F517-S519 PolarHBondContact O-N 3.45Å; S519-V521 PolarHBondContact O-N 2.78Å; S519-F752 WeakPolarHBondContact OG-CE1 3.49Å; S519-F752 WeakPolarHBondContact OG-CZ 3.38Å
520P47.4Very low60.4Low99 Ų9993.3 Ų93.364%0.64351%0.511SS*.  trans-79.851.5178.535.5-36.5000111.7T522P520-T522 PolarHBondContact O-N 3.45Å
521V52.9Low62.5Low65 Ų6593.5 Ų93.539%0.39452%0.518SS..  trans-67.6117.4166.6-179.30000107.5S519 S523S519-V521 PolarHBondContact O-N 2.78Å; V521-S523 WeakPolarHBondContact O-CB 3.29Å; V521-S523 PolarHBondContact O-N 3.15Å; V521-S523 PolarHBondContact O-OG 3.43Å
522T62.2Low64.9Low81 Ų8185.9 Ų85.950%0.49748%0.479SS..  trans-62.4112.2175.566.70000108.3P520 D536P520-T522 PolarHBondContact O-N 3.45Å; T522-D536 WeakPolarHBondContact CB-OD2 3.43Å; T522-D536 PolarHBondContact OG1-OD2 3.38Å
523S78.7Confident67.5Low39 Ų3982.6 Ų82.627%0.27346%0.456SS..EExtended strand (participates in β ladder)trans-128.491.1-166.143.80000110.5V521 R525 V534V521-S523 WeakPolarHBondContact O-CB 3.29Å; V521-S523 PolarHBondContact O-N 3.15Å; V521-S523 PolarHBondContact O-OG 3.43Å; S523-R525 PolarHBondContact O-NH1 2.94Å; S523-V534 WeakPolarHBondContact CA-O 3.19Å
524S87.5Confident69.9Low26 Ų2677.3 Ų77.318%0.18243%0.428CS..EExtended strand (participates in β ladder)trans-64.5169.116952.20000112.3N533 V534 D536 P633S524-N533 CarbonylContact O-C 3.59Å; S524-N533 WeakPolarHBondContact O-CA 3.39Å; S524-V534 PolarHBondContact N-O 3.06Å; S524-V534 PolarHBondContact O-N 3.33Å; S524-V534 WeakPolarHBondContact OG-CG2 3.24Å; S524-D536 WeakPolarHBondContact CB-OD1 3.32Å; S524-D536 PolarHBondContact N-OD1 2.83Å; S524-D536 VanDerWaalsContact N-OD1 3.07Å; S524-D536 PolarHBondContact OG-OD1 3.18Å; S524-P633 WeakPolarHBondContact OG-CD 3.49Å; S524-P633 VanDerWaalsContact OG-CG 3.23Å; S524-P633 WeakPolarHBondContact OG-CG 3.44Å
525R91Very high72.2Confident155 Ų15572.9 Ų72.959%0.58540%0.4SS*.EExtended strand (participates in β ladder)trans-94.5133.7177.4-79.751.8171.1169.4-1.5107.8S523 A527 N533S523-R525 PolarHBondContact O-NH1 2.94Å; R525-A527 PolarHBondContact O-N 3.35Å; R525-N533 PolarHBondContact NE-OD1 2.73Å
526C92.6Very high74.6Confident0 Ų069.5 Ų69.50%038%0.381CS..PPolyproline II helixtrans-47.7125.3-175.9-179.80000111.8I528 C529 K530 A532 V534 A631C526-I528 PolarHBondContact O-N 3.06Å; C526-C529 VanDerWaalsContact CB-SG 3.51Å; C526-K530 WeakPolarHBondContact O-CA 3.39Å; C526-K530 PolarHBondContact O-N 2.95Å; C526-A532 PolarHBondContact N-O 2.93Å; C526-V534 HydrophobicContact CB-CG1 3.58Å; C526-A631 WeakPolarHBondContact CA-O 3.33Å; C526-A631 PolarHBondContact SG-O 2.77Å; C526-A631 VanDerWaalsContact SG-O 3.34Å
527A89.3Confident77.1Confident45 Ų4563 Ų6337%0.37236%0.36SS..THydrogen-bonded Turntrans-60.5-31.4-177.900000112.6R525 K530 A631R525-A527 PolarHBondContact O-N 3.35Å; A527-K530 WeakPolarHBondContact O-CE 3.47Å; A527-A631 PolarHBondContact N-O 3.31Å
528I89.9Confident79.6Confident56 Ų5658.3 Ų58.329%0.28734%0.34SS..THydrogen-bonded Turntrans-77.7-61178.1-69.1165.6000111.9P499 C501 C526 G630 A631P499-I528 HydrophobicContact CB-CD1 4.15Å; P499-I528 HydrophobicContact CG-CD1 4.04Å; P499-I528 HydrophobicContact CG-CG1 4.37Å; P499-I528 HydrophobicContact CG-CG2 3.88Å; C501-I528 HydrophobicContact CB-CB 4.09Å; C501-I528 HydrophobicContact CB-CD1 4.11Å; C501-I528 HydrophobicContact CB-CG2 4.12Å; C526-I528 PolarHBondContact O-N 3.06Å; I528-G630 WeakPolarHBondContact CG1-O 3.32Å; I528-A631 HydrophobicContact CD1-CB 3.99Å
529C90.8Very high82.5Confident49 Ų4952.5 Ų52.533%0.33130%0.303SS..THydrogen-bonded Turntrans-91.8-19.9-169.981.80000114.1H505 C526 A531 A532H505-C529 VanDerWaalsContact CE1-SG 3.6Å; H505-C529 PolarHBondContact NE2-SG 3.45Å; C526-C529 VanDerWaalsContact CB-SG 3.51Å; C529-A531 PolarHBondContact O-N 2.82Å; C529-A532 PolarHBondContact SG-N 2.94Å
530K89.7Confident85Confident153 Ų15351 Ų5167%0.66529%0.292SS*.SBendtrans55.38.4-177.9-54.4-170.9180-171.40116.2C526 A527C526-K530 WeakPolarHBondContact O-CA 3.39Å; C526-K530 PolarHBondContact O-N 2.95Å; A527-K530 WeakPolarHBondContact O-CE 3.47Å
531A87.4Confident87.3Confident87 Ų8746.4 Ų46.472%0.71926%0.263SS*.SBendtrans-111.2-41.8-175.400000113.5C529C529-A531 PolarHBondContact O-N 2.82Å
532A88.1Confident89.3Confident14 Ų1443.3 Ų43.312%0.11624%0.244CC..SBendtrans-89.8153177.400000111.9H505 C526 C529H505-A532 HydrophobicContact CB-CB 4.06Å; H505-A532 VanDerWaalsContact CG-CB 3.48Å; H505-A532 WeakPolarHBondContact ND1-CB 2.97Å; C526-A532 PolarHBondContact N-O 2.93Å; C529-A532 PolarHBondContact SG-N 2.94Å
533N90Very high90.8Very high61 Ų6139.9 Ų39.933%0.32622%0.223SC..EExtended strand (participates in β ladder)trans-78.2147.2169.7-70.6-13.2000110.6H505 L506 S524 R525H505-N533 WeakPolarHBondContact CA-O 3.41Å; L506-N533 HydrophobicContact CD1-CB 4.32Å; L506-N533 PolarHBondContact N-O 2.89Å; S524-N533 CarbonylContact O-C 3.59Å; S524-N533 WeakPolarHBondContact O-CA 3.39Å; R525-N533 PolarHBondContact NE-OD1 2.73Å
534V91.8Very high91.3Very high0 Ų038.5 Ų38.50%021%0.212CC..EExtended strand (participates in β ladder)trans-132.4156.7175.3-60.90000108.6C504 S523 S524 C526C504-V534 HydrophobicContact CB-CG1 4.37Å; C504-V534 WeakPolarHBondContact O-CG1 3.34Å; S523-V534 WeakPolarHBondContact CA-O 3.19Å; S524-V534 PolarHBondContact N-O 3.06Å; S524-V534 PolarHBondContact O-N 3.33Å; S524-V534 WeakPolarHBondContact OG-CG2 3.24Å; C526-V534 HydrophobicContact CB-CG1 3.58Å
535P90.5Very high91.4Very high17 Ų1737.4 Ų37.411%0.1120%0.204CC..EExtended strand (participates in β ladder)trans-68.6151.816731.1-34.6000110.2C504 L537 L632C504-P535 WeakPolarHBondContact O-CD 3.41Å; P535-L537 VanDerWaalsContact C-N 3.27Å; P535-L537 PolarHBondContact O-N 3.26Å; P535-L632 HydrophobicContact CG-CD2 4.47Å; P535-L632 WeakPolarHBondContact O-CD2 3.37Å; P535-L632 VanDerWaalsContact O-CG 3.31Å; P535-L632 WeakPolarHBondContact O-CG 3.41Å
536D88.9Confident91Very high53 Ų5334.2 Ų34.228%0.28320%0.203SC..SBendtrans-75.1-19.3177.8-61.9-26.9000113.3T522 S524 P633T522-D536 WeakPolarHBondContact CB-OD2 3.43Å; T522-D536 PolarHBondContact OG1-OD2 3.38Å; S524-D536 WeakPolarHBondContact CB-OD1 3.32Å; S524-D536 PolarHBondContact N-OD1 2.83Å; S524-D536 VanDerWaalsContact N-OD1 3.07Å; S524-D536 PolarHBondContact OG-OD1 3.18Å; D536-P633 HydrophobicContact CB-CG 4.15Å
537L91.6Very high90.7Very high51 Ų5135.7 Ų35.727%0.26721%0.21SC..  trans-149.9135.5-176.5-173.169.7000109.2P535 F539 M593 L596 N602P535-L537 VanDerWaalsContact C-N 3.27Å; P535-L537 PolarHBondContact O-N 3.26Å; L537-F539 HydrophobicContact CD1-CE1 4.12Å; L537-F539 HydrophobicContact CD2-CD1 4.24Å; L537-F539 HydrophobicContact CD2-CE1 3.5Å; L537-F539 HydrophobicContact CD2-CZ 3.9Å; L537-F539 HydrophobicContact CG-CD1 4.1Å; L537-F539 HydrophobicContact CG-CE1 3.73Å; L537-M593 HydrophobicContact CD2-CB 4.2Å; L537-M593 HydrophobicContact CD2-CG 3.82Å; L537-L596 HydrophobicContact CD1-CD1 4.16Å; L537-N602 WeakPolarHBondContact CA-O 3.45Å
538L93.4Very high90.6Very high5 Ų534.3 Ų34.33%0.02620%0.196CC..EExtended strand (participates in β ladder)trans-118.4118.9176.8178.161.2000111.5F312 N602 G603 L604 F605 I629 L632F312-L538 HydrophobicContact CB-CD1 3.81Å; F312-L538 HydrophobicContact CB-CD2 4.32Å; F312-L538 HydrophobicContact CD1-CD1 4.24Å; F312-L538 HydrophobicContact CD1-CD2 4.41Å; F312-L538 HydrophobicContact CD2-CD2 3.69Å; F312-L538 HydrophobicContact CE2-CD2 4.02Å; F312-L538 HydrophobicContact CG-CD1 4.01Å; F312-L538 HydrophobicContact CG-CD2 3.91Å; L538-N602 PolarHBondContact N-O 3.46Å; L538-G603 CarbonylContact O-C 3.57Å; L538-G603 WeakPolarHBondContact O-CA 3.43Å; L538-L604 PolarHBondContact O-N 2.82Å; L538-F605 HydrophobicContact CD2-CZ 3.83Å; L538-F605 HydrophobicContact CG-CZ 4.48Å; L538-I629 HydrophobicContact CB-CD1 4.08Å; L538-I629 HydrophobicContact CD2-CD1 3.89Å; L538-L632 HydrophobicContact CB-CD2 4.11Å
539F95.6Very high90.5Very high14 Ų1434.5 Ų34.56%0.06120%0.2CC..EExtended strand (participates in β ladder)trans-104.6135.8168.8-737.6000110.1L315 L537 H589 L592 L596 L604 L607L315-F539 HydrophobicContact CB-CB 4.01Å; L315-F539 HydrophobicContact CD2-CB 4.33Å; L315-F539 HydrophobicContact CD2-CD2 4.43Å; L315-F539 PolarHBondContact N-O 3.15Å; L537-F539 HydrophobicContact CD1-CE1 4.12Å; L537-F539 HydrophobicContact CD2-CD1 4.24Å; L537-F539 HydrophobicContact CD2-CE1 3.5Å; L537-F539 HydrophobicContact CD2-CZ 3.9Å; L537-F539 HydrophobicContact CG-CD1 4.1Å; L537-F539 HydrophobicContact CG-CE1 3.73Å; F539-H589 AromaticContact CE2-CE1 3.65Å; F539-H589 AromaticContact CE2-ND1 3.54Å; F539-L592 HydrophobicContact CE2-CB 4.11Å; F539-L592 HydrophobicContact CE2-CD1 3.98Å; F539-L592 HydrophobicContact CZ-CB 3.82Å; F539-L592 HydrophobicContact CZ-CD1 4.43Å; F539-L596 HydrophobicContact CD1-CD1 4.4Å; F539-L596 HydrophobicContact CE1-CD1 3.48Å; F539-L596 VanDerWaalsContact CE1-CD1 3.48Å; F539-L596 HydrophobicContact CZ-CD1 4.11Å; F539-L604 CarbonylContact C-O 3.57Å; F539-L604 HydrophobicContact CD1-CB 3.7Å; F539-L604 HydrophobicContact CD1-CD2 3.92Å; F539-L604 HydrophobicContact CD1-CG 4.44Å; F539-L604 HydrophobicContact CD2-CD2 4.38Å; F539-L604 HydrophobicContact CE1-CB 4.08Å; F539-L604 HydrophobicContact CE1-CD2 3.9Å; F539-L604 HydrophobicContact CE2-CD2 4.36Å; F539-L604 HydrophobicContact CG-CB 4.41Å; F539-L604 HydrophobicContact CG-CD2 4.18Å; F539-L604 HydrophobicContact CZ-CD2 4.13Å; F539-L607 HydrophobicContact CB-CD2 4.4Å; F539-L607 HydrophobicContact CD2-CD2 4.24Å
540S95.8Very high90.4Very high0 Ų033 Ų330%019%0.189CC..  trans-142.6137.2178.2-173.70000111.7T379 S542 L604 F605 G606 L607T379-S540 WeakPolarHBondContact CG2-OG 3.5Å; T379-S540 WeakPolarHBondContact OG1-CA 3.32Å; T379-S540 PolarHBondContact OG1-OG 3.07Å; T379-S540 VanDerWaalsContact OG1-OG 3.1Å; S540-S542 VanDerWaalsContact C-N 3.27Å; S540-S542 VanDerWaalsContact OG-CB 3.28Å; S540-S542 WeakPolarHBondContact OG-CB 3.42Å; S540-S542 PolarHBondContact OG-N 3.13Å; S540-S542 PolarHBondContact OG-OG 3.08Å; S540-L604 PolarHBondContact N-O 3.41Å; S540-F605 CarbonylContact O-C 3.52Å; S540-F605 WeakPolarHBondContact O-CA 3.37Å; S540-G606 PolarHBondContact O-N 2.91Å; S540-L607 WeakPolarHBondContact O-CB 3.49Å; S540-L607 PolarHBondContact O-N 3.06Å
541S96.3Very high90.4Very high4 Ų428.4 Ų28.43%0.02817%0.171CC..SBendtrans-76.8-13.1163.660.60000112.8A360 G378 T379A360-S541 WeakPolarHBondContact CB-O 3.3Å; A360-S541 WeakPolarHBondContact CB-OG 3.43Å; A360-S541 PolarHBondContact O-OG 3.04Å; G378-S541 WeakPolarHBondContact CA-OG 3.29Å; T379-S541 PolarHBondContact N-OG 3.29Å; T379-S541 PolarHBondContact OG1-N 3.45Å; T379-S541 PolarHBondContact OG1-OG 3.05Å
542S94.8Very high90.5Very high0 Ų024.7 Ų24.70%014%0.141CC..SBendtrans-78.1158.9177.884.70000113.1S302 A360 S540 F605 G606S302-S542 WeakPolarHBondContact O-CA 3.44Å; S302-S542 WeakPolarHBondContact O-CB 3.4Å; A360-S542 VanDerWaalsContact CB-CA 3.49Å; S540-S542 VanDerWaalsContact C-N 3.27Å; S540-S542 VanDerWaalsContact OG-CB 3.28Å; S540-S542 WeakPolarHBondContact OG-CB 3.42Å; S540-S542 PolarHBondContact OG-N 3.13Å; S540-S542 PolarHBondContact OG-OG 3.08Å; S542-F605 WeakPolarHBondContact O-CB 3.07Å; S542-F605 WeakPolarHBondContact O-CD1 3.23Å; S542-G606 PolarHBondContact O-N 3.01Å
543D93.4Very high90.5Very high9 Ų925.6 Ų25.65%0.04814%0.144CC..PPolyproline II helixtrans-65.4172.9158.9-104.550.6000111S302 Q303 P304 T781 E782 S783S302-D543 PolarHBondContact O-N 2.72Å; Q303-D543 HydrophobicContact CB-CB 4.24Å; Q303-D543 HydrophobicContact CG-CB 4.37Å; P304-D543 VanDerWaalsContact CD-O 3.29Å; P304-D543 WeakPolarHBondContact CD-O 3.47Å; P304-D543 WeakPolarHBondContact CG-O 3.07Å; D543-T781 WeakPolarHBondContact OD1-CA 3.11Å; D543-T781 VanDerWaalsContact OD1-CB 3.23Å; D543-T781 WeakPolarHBondContact OD1-CB 3.41Å; D543-T781 WeakPolarHBondContact OD1-CG2 3.48Å; D543-T781 WeakPolarHBondContact OD2-CB 3.47Å; D543-E782 PolarHBondContact OD1-N 2.82Å; D543-E782 PolarHBondContact OD2-N 2.93Å; D543-S783 WeakPolarHBondContact OD2-CB 3.19Å; D543-S783 PolarHBondContact OD2-N 2.9Å; D543-S783 PolarHBondContact OD2-OG 2.96Å
544F89.9Confident90.7Very high10 Ų1022.9 Ų22.94%0.04413%0.13CC..PPolyproline II helixtrans-69.3132.9-179.4-48.1-68.5000111.7I550 F605 T625 V627 T781 P785F544-I550 HydrophobicContact CB-CD1 4.05Å; F544-I550 HydrophobicContact CD1-CD1 3.31Å; F544-I550 HydrophobicContact CE1-CD1 3.83Å; F544-I550 HydrophobicContact CG-CD1 3.74Å; F544-F605 HydrophobicContact CD1-CB 3.73Å; F544-F605 HydrophobicContact CD1-CD1 4.02Å; F544-F605 AromaticContact CD1-CD2 3.63Å; F544-F605 HydrophobicContact CD1-CD2 3.63Å; F544-F605 HydrophobicContact CD1-CE2 4.24Å; F544-F605 AromaticContact CD1-CG 3.5Å; F544-F605 HydrophobicContact CD1-CG 3.5Å; F544-F605 HydrophobicContact CE1-CB 3.48Å; F544-F605 VanDerWaalsContact CE1-CB 3.48Å; F544-F605 AromaticContact CE1-CD2 3.6Å; F544-F605 HydrophobicContact CE1-CD2 3.6Å; F544-F605 AromaticContact CE1-CG 3.63Å; F544-F605 HydrophobicContact CE1-CG 3.63Å; F544-F605 HydrophobicContact CZ-CB 4.23Å; F544-T625 HydrophobicContact CZ-CG2 3.8Å; F544-V627 HydrophobicContact CE1-CB 4.49Å; F544-V627 HydrophobicContact CE1-CG1 3.59Å; F544-V627 HydrophobicContact CE1-CG2 4.1Å; F544-V627 HydrophobicContact CZ-CG1 3.83Å; F544-T781 HydrophobicContact CD2-CG2 4.25Å; F544-T781 HydrophobicContact CE2-CG2 3.75Å; F544-T781 VanDerWaalsContact CE2-OG1 3.31Å; F544-T781 WeakPolarHBondContact CE2-OG1 3.45Å; F544-T781 HydrophobicContact CZ-CG2 3.94Å; F544-P785 HydrophobicContact CE2-CG 4.33Å
545P89.3Confident90.7Very high3 Ų322.9 Ų22.92%0.01913%0.13CC..PPolyproline II helixtrans-66.1138.2165.6-1225000110.5P304 I309 F312 I503 E547 L548P304-P545 HydrophobicContact CB-CB 4.09Å; P304-P545 HydrophobicContact CB-CG 4.28Å; P304-P545 HydrophobicContact CG-CB 4.3Å; P304-P545 HydrophobicContact CG-CG 4.03Å; I309-P545 HydrophobicContact CD1-CG 4.11Å; F312-P545 HydrophobicContact CE2-CG 3.77Å; F312-P545 HydrophobicContact CZ-CG 3.56Å; I503-P545 HydrophobicContact CD1-CB 3.66Å; I503-P545 HydrophobicContact CD1-CG 3.68Å; P545-E547 HydrophobicContact CB-CG 4.25Å; P545-E547 PolarHBondContact O-N 2.71Å; P545-L548 HydrophobicContact CB-CB 4.17Å; P545-L548 HydrophobicContact CG-CB 4.14Å; P545-L548 HydrophobicContact CG-CD2 4.44Å; P545-L548 VanDerWaalsContact O-CB 3.29Å; P545-L548 WeakPolarHBondContact O-CB 3.5Å; P545-L548 PolarHBondContact O-N 3.46Å
546P83.2Confident90.8Very high87 Ų8722.8 Ų22.857%0.56513%0.128SC*.THydrogen-bonded Turntrans-66.6-21.3-17924.3-30.9000113.6P304 P306P304-P546 WeakPolarHBondContact O-CD 3.32Å; P306-P546 HydrophobicContact CB-CG 4.17Å; P306-P546 HydrophobicContact CG-CG 3.79Å
547E84.5Confident91.1Very high32 Ų3220.5 Ų20.515%0.1512%0.116CC..THydrogen-bonded Turntrans-80.8-5.4171.659-96.7-135.600115.1G307 I503 P545G307-E547 VanDerWaalsContact CA-OE1 3.24Å; G307-E547 WeakPolarHBondContact CA-OE1 3.47Å; G307-E547 PolarHBondContact N-OE1 3.36Å; G307-E547 PolarHBondContact N-OE2 2.79Å; I503-E547 HydrophobicContact CD1-CG 3.73Å; P545-E547 HydrophobicContact CB-CG 4.25Å; P545-E547 PolarHBondContact O-N 2.71Å
548L88.8Confident91.2Very high15 Ų1518.6 Ų18.68%0.07911%0.106CC..  trans-84.8118.2-175.5-173.168.2000112I503 C504 P545 I550 F605 I629I503-L548 HydrophobicContact CG2-CD1 3.73Å; C504-L548 VanDerWaalsContact SG-CD1 3.56Å; P545-L548 HydrophobicContact CB-CB 4.17Å; P545-L548 HydrophobicContact CG-CB 4.14Å; P545-L548 HydrophobicContact CG-CD2 4.44Å; P545-L548 VanDerWaalsContact O-CB 3.29Å; P545-L548 WeakPolarHBondContact O-CB 3.5Å; P545-L548 PolarHBondContact O-N 3.46Å; L548-I550 HydrophobicContact CD2-CD1 4.19Å; L548-I550 HydrophobicContact CD2-CG1 4.25Å; L548-I550 HydrophobicContact CG-CG1 4.28Å; L548-I550 PolarHBondContact O-N 2.89Å; L548-I550 VanDerWaalsContact O-N 3.09Å; L548-F605 HydrophobicContact CD2-CE1 4.06Å; L548-F605 HydrophobicContact CD2-CE2 3.85Å; L548-F605 HydrophobicContact CD2-CZ 3.33Å; L548-I629 HydrophobicContact CD1-CG2 3.75Å; L548-I629 HydrophobicContact CD2-CD1 4.43Å; L548-I629 HydrophobicContact CD2-CG1 4.44Å; L548-I629 HydrophobicContact CG-CG2 4.31Å
549V86.8Confident91.2Very high60 Ų6018.4 Ų18.436%0.36411%0.105SC..  trans-78.299.1180-176.90000111.2P499 G630P499-V549 HydrophobicContact CB-CG2 3.84Å; V549-G630 PolarHBondContact O-N 3.08Å
550I89.3Confident91.1Very high19 Ų1918.1 Ų18.110%0.09710%0.103CC..EExtended strand (participates in β ladder)trans-97.1142.6174-67.6164.6000109.8F544 L548 V627 Y628 P785F544-I550 HydrophobicContact CB-CD1 4.05Å; F544-I550 HydrophobicContact CD1-CD1 3.31Å; F544-I550 HydrophobicContact CE1-CD1 3.83Å; F544-I550 HydrophobicContact CG-CD1 3.74Å; L548-I550 HydrophobicContact CD2-CD1 4.19Å; L548-I550 HydrophobicContact CD2-CG1 4.25Å; L548-I550 HydrophobicContact CG-CG1 4.28Å; L548-I550 PolarHBondContact O-N 2.89Å; L548-I550 VanDerWaalsContact O-N 3.09Å; I550-V627 HydrophobicContact CD1-CG1 4.42Å; I550-V627 HydrophobicContact CD1-CG2 4.36Å; I550-V627 HydrophobicContact CG1-CB 4.49Å; I550-V627 HydrophobicContact CG1-CG2 4.39Å; I550-V627 HydrophobicContact CG2-CB 3.87Å; I550-V627 HydrophobicContact CG2-CG1 3.96Å; I550-Y628 CarbonylContact C-O 3.47Å; I550-Y628 WeakPolarHBondContact CA-O 3.33Å; I550-P785 HydrophobicContact CB-CB 3.95Å; I550-P785 HydrophobicContact CD1-CB 3.8Å; I550-P785 HydrophobicContact CG1-CB 4.49Å; I550-P785 HydrophobicContact CG2-CB 3.65Å; I550-P785 HydrophobicContact CG2-CG 4.17Å
551I89.7Confident90.9Very high55 Ų5518.1 Ų18.128%0.28210%0.104SC..EExtended strand (participates in β ladder)trans-120.8137.1-178.9-53.2179.7000108.8Y628 P677I551-Y628 HydrophobicContact CB-CD1 4.1Å; I551-Y628 HydrophobicContact CD1-CD1 4.11Å; I551-Y628 HydrophobicContact CD1-CE1 4.28Å; I551-Y628 HydrophobicContact CG1-CD1 4.39Å; I551-Y628 PolarHBondContact N-O 3.08Å; I551-P677 HydrophobicContact CG2-CG 4.03Å
552G88.3Confident90.7Very high10 Ų1018 Ų1810%0.10310%0.102CC..EExtended strand (participates in β ladder)trans79.9-171.9178.600000114.5Y674 R675G552-Y674 CarbonylContact C-O 3.53Å; G552-Y674 WeakPolarHBondContact CA-O 3.39Å; G552-R675 WeakPolarHBondContact CA-O 3.42Å
553N89.8Confident90.5Very high33 Ų3320.1 Ų20.118%0.17611%0.11CC..EExtended strand (participates in β ladder)trans-88.9142.8178.4-56.5-33.7000110.5M601 L673 Y674N553-M601 WeakPolarHBondContact O-CE 3.35Å; N553-L673 PolarHBondContact ND2-O 3.37Å; N553-Y674 HydrophobicContact CB-CD1 4.45Å; N553-Y674 PolarHBondContact N-O 3.38Å
554P92.5Very high90.3Very high3 Ų322.4 Ų22.42%0.01913%0.127CC..EExtended strand (participates in β ladder)trans-70.3152.1175.527.7-32.2000112.9T625 G626 V627 I777 T779 P785P554-T625 HydrophobicContact CB-CG2 3.48Å; P554-T625 VanDerWaalsContact CB-CG2 3.48Å; P554-G626 WeakPolarHBondContact CA-O 3.18Å; P554-V627 HydrophobicContact CB-CG1 4.07Å; P554-I777 HydrophobicContact CG-CG2 3.7Å; P554-T779 HydrophobicContact CB-CG2 4.01Å; P554-T779 HydrophobicContact CG-CG2 3.65Å; P554-P785 HydrophobicContact CB-CG 4.29Å; P554-P785 HydrophobicContact CG-CG 3.9Å
555A91.8Very high90.2Very high0 Ų022.4 Ų22.40%013%0.127CC..EExtended strand (participates in β ladder)trans-118.6137.7175.500000111.3V557 M601 T625 G626 Y674A555-V557 PolarHBondContact O-N 3.01Å; A555-M601 HydrophobicContact CB-CE 3.69Å; A555-M601 HydrophobicContact CB-SD 3.72Å; A555-T625 CarbonylContact O-C 3.57Å; A555-T625 WeakPolarHBondContact O-CA 3.28Å; A555-G626 PolarHBondContact N-O 3.37Å; A555-G626 PolarHBondContact O-N 3.27Å; A555-Y674 HydrophobicContact CB-CD1 3.91Å; A555-Y674 HydrophobicContact CB-CE1 3.35Å; A555-Y674 HydrophobicContact CB-CE2 4.2Å
556L93.8Very high90.2Very high16 Ų1628.5 Ų28.58%0.08415%0.153CC..EExtended strand (participates in β ladder)trans-69121.6163.5177.266.1000109.4Q558 L778 T780 L1026 Y1028L556-Q558 HydrophobicContact CD1-CG 4.12Å; L556-Q558 HydrophobicContact CD2-CG 4.23Å; L556-Q558 HydrophobicContact CG-CG 3.95Å; L556-L778 HydrophobicContact CB-CB 3.69Å; L556-L778 HydrophobicContact CB-CD1 4.09Å; L556-L778 HydrophobicContact CD2-CD1 4.17Å; L556-L778 PolarHBondContact N-O 3.26Å; L556-T780 HydrophobicContact CD1-CG2 3.79Å; L556-L1026 HydrophobicContact CD1-CD2 4.2Å; L556-L1026 HydrophobicContact CD2-CD2 3.72Å; L556-Y1028 HydrophobicContact CD2-CE2 4.24Å
557V94.8Very high90.3Very high4 Ų427.9 Ų27.92%0.02415%0.146CC..EExtended strand (participates in β ladder)trans-115.1125.6174.7-179.30000108.6A555 L592 K595 L596 L604 G624A555-V557 PolarHBondContact O-N 3.01Å; V557-L592 HydrophobicContact CG1-CD2 3.98Å; V557-K595 HydrophobicContact CG1-CB 4Å; V557-L596 HydrophobicContact CG1-CG 4.39Å; V557-L596 HydrophobicContact CG2-CD2 3.96Å; V557-L596 HydrophobicContact CG2-CG 4.49Å; V557-L604 HydrophobicContact CB-CD1 3.94Å; V557-L604 HydrophobicContact CG1-CD1 4.41Å; V557-L604 HydrophobicContact CG2-CD1 4.43Å; V557-G624 PolarHBondContact N-O 3.28Å; V557-G624 PolarHBondContact O-N 2.79Å; V557-G624 VanDerWaalsContact O-O 3.1Å
558Q93.7Very high90.5Very high12 Ų1227.4 Ų27.46%0.05615%0.145CC..EExtended strand (participates in β ladder)trans-128.5123.7178.5-53.7-172.3-71.300110.6L556 K595 A622 T623 N1008 Y1028L556-Q558 HydrophobicContact CD1-CG 4.12Å; L556-Q558 HydrophobicContact CD2-CG 4.23Å; L556-Q558 HydrophobicContact CG-CG 3.95Å; Q558-K595 WeakPolarHBondContact O-CD 3.47Å; Q558-K595 PolarHBondContact O-NZ 3.2Å; Q558-A622 CarbonylContact C-O 3.55Å; Q558-A622 WeakPolarHBondContact CA-O 3.35Å; Q558-T623 HydrophobicContact CB-CG2 4.34Å; Q558-T623 HydrophobicContact CG-CG2 3.91Å; Q558-N1008 PolarHBondContact OE1-ND2 3.31Å; Q558-Y1028 VanDerWaalsContact NE2-CE1 3.33Å
559A93.4Very high90.4Very high0 Ų031.1 Ų31.10%016%0.16CC..EExtended strand (participates in β ladder)trans-95.1154.6158.600000109.9L588 R591 L592 I621 A622A559-L588 HydrophobicContact CB-CD2 3.82Å; A559-L588 WeakPolarHBondContact CB-O 3.45Å; A559-R591 HydrophobicContact CB-CB 3.76Å; A559-L592 HydrophobicContact CB-CD2 3.68Å; A559-L592 HydrophobicContact CB-CG 3.61Å; A559-I621 WeakPolarHBondContact O-CA 2.98Å; A559-I621 VanDerWaalsContact O-CG1 3.31Å; A559-I621 WeakPolarHBondContact O-CG1 3.37Å; A559-A622 HydrophobicContact CB-CB 4.43Å; A559-A622 PolarHBondContact N-O 3.44Å; A559-A622 PolarHBondContact O-N 2.85Å
560R92.6Very high90.5Very high8 Ų828.8 Ų28.83%0.0315%0.148CC..EExtended strand (participates in β ladder)trans-152.3142.6-177.965.5-152174.1-140.50.4107.9R591 A620 D769 L1000 L1004R560-R591 WeakPolarHBondContact O-CD 3.32Å; R560-R591 PolarHBondContact O-NH1 3.32Å; R560-A620 CarbonylContact C-O 3.47Å; R560-A620 VanDerWaalsContact CA-O 3.28Å; R560-A620 WeakPolarHBondContact CA-O 3.48Å; R560-D769 IonicContact CZ-OD1 3.69Å; R560-D769 VanDerWaalsContact CZ-OD1 3.22Å; R560-D769 IonicContact CZ-OD2 3.31Å; R560-D769 IonicContact NH1-OD1 2.77Å; R560-D769 PolarHBondContact NH1-OD1 2.96Å; R560-D769 IonicContact NH1-OD2 3.56Å; R560-D769 PolarHBondContact NH1-OD2 2.88Å; R560-D769 IonicContact NH2-OD1 2.96Å; R560-D769 PolarHBondContact NH2-OD1 2.82Å; R560-D769 IonicContact NH2-OD2 2.75Å; R560-L1000 HydrophobicContact CB-CD2 4.05Å; R560-L1000 HydrophobicContact CB-CG 4.34Å; R560-L1004 HydrophobicContact CB-CD1 3.88Å; R560-L1004 HydrophobicContact CG-CD1 4.46Å
561V92.3Very high90.5Very high1 Ų135.4 Ų35.41%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-140.6138.8176.41760000107.2R563 I584 E587 L588 A619 A620 L1000V561-R563 HydrophobicContact CG1-CG 4.09Å; V561-I584 HydrophobicContact CB-CG2 4.38Å; V561-I584 HydrophobicContact CG1-CG1 4.08Å; V561-I584 HydrophobicContact CG1-CG2 4.45Å; V561-E587 WeakPolarHBondContact CG1-OE2 3.46Å; V561-E587 HydrophobicContact CG2-CB 3.92Å; V561-E587 HydrophobicContact CG2-CG 3.67Å; V561-L588 HydrophobicContact CB-CD2 4.44Å; V561-L588 HydrophobicContact CG2-CD2 3.86Å; V561-L588 HydrophobicContact CG2-CG 3.88Å; V561-A619 CarbonylContact O-C 3.45Å; V561-A619 WeakPolarHBondContact O-CA 3.27Å; V561-A620 PolarHBondContact N-O 2.8Å; V561-A620 PolarHBondContact O-N 3.3Å; V561-L1000 WeakPolarHBondContact O-CD2 3.41Å
562C92.2Very high90.7Very high0 Ų037.2 Ų37.20%019%0.192CC..EExtended strand (participates in β ladder)trans-140.5130.6171-173.50000108.2M617 I618 A619 P842 D843 L1000C562-M617 VanDerWaalsContact SG-CE 3.55Å; C562-I618 CarbonylContact C-O 3.54Å; C562-I618 VanDerWaalsContact CA-O 3.29Å; C562-I618 WeakPolarHBondContact CA-O 3.43Å; C562-I618 PolarHBondContact SG-O 3.1Å; C562-I618 VanDerWaalsContact SG-O 3.42Å; C562-A619 HydrophobicContact CB-CB 4.45Å; C562-P842 WeakPolarHBondContact O-CB 3.4Å; C562-D843 HydrophobicContact CB-CB 4.07Å; C562-D843 PolarHBondContact O-N 3.38Å; C562-L1000 HydrophobicContact CB-CB 3.76Å; C562-L1000 HydrophobicContact CB-CD2 3.85Å; C562-L1000 HydrophobicContact CB-CG 4.47Å
563R90.2Very high90.9Very high45 Ų4536.8 Ų36.817%0.1719%0.187CC..EExtended strand (participates in β ladder)trans-134.3145.9-175.2-70.8176.1173.3-1070.2109.3V561 E587 M617 I618V561-R563 HydrophobicContact CG1-CG 4.09Å; R563-E587 IonicContact CZ-OE2 3.23Å; R563-E587 IonicContact NE-OE2 2.66Å; R563-E587 PolarHBondContact NE-OE2 2.71Å; R563-E587 IonicContact NH2-OE2 2.68Å; R563-E587 PolarHBondContact NH2-OE2 3.37Å; R563-M617 WeakPolarHBondContact O-CA 3.31Å; R563-I618 HydrophobicContact CB-CG2 4.01Å; R563-I618 PolarHBondContact N-O 3.06Å; R563-I618 PolarHBondContact O-N 2.94Å
564S88.4Confident91.1Very high58 Ų5835.9 Ų35.941%0.40619%0.185SC..EExtended strand (participates in β ladder)trans-62.5145.8167.5380000110.6Y616S564-Y616 WeakPolarHBondContact CA-O 3.38Å
565K88.8Confident91.2Very high10 Ų1038.6 Ų38.64%0.04320%0.203CC..  trans-132.8149.8172.5145.6175.1173.7-75.40106.7Y368 L577 V613 G614 E615 Y616Y368-K565 VanDerWaalsContact CE1-NZ 3.32Å; Y368-K565 PolarHBondContact OH-NZ 2.85Å; K565-L577 HydrophobicContact CD-CD2 4.22Å; K565-V613 HydrophobicContact CD-CG1 4.17Å; K565-G614 PolarHBondContact NZ-O 3.31Å; K565-E615 PolarHBondContact NZ-O 2.84Å; K565-Y616 PolarHBondContact N-O 2.77Å; K565-Y616 CarbonylContact O-C 3.36Å; K565-Y616 WeakPolarHBondContact O-CA 3.41Å; K565-Y616 VanDerWaalsContact O-O 3.08Å
566K88.8Confident91.3Very high130 Ų13039.3 Ų39.357%0.56521%0.207SC*.  trans-72.6152.8170.8-57.9173.7-143.978.30110.4T568 E576K566-T568 VanDerWaalsContact C-N 3.25Å; K566-T568 HydrophobicContact CB-CG2 3.78Å; K566-T568 HydrophobicContact CD-CG2 4.48Å; K566-T568 PolarHBondContact O-N 3.25Å; K566-T568 PolarHBondContact O-OG1 2.67Å; K566-E576 WeakPolarHBondContact CG-OE1 3.26Å; K566-E576 PolarHBondContact N-OE1 2.84Å; K566-E576 IonicContact NZ-OE1 2.77Å; K566-E576 PolarHBondContact NZ-OE1 3.22Å; K566-E576 IonicContact NZ-OE2 3.22Å; K566-E576 PolarHBondContact NZ-OE2 2.9Å
567D86.6Confident91.3Very high75 Ų7538.6 Ų38.640%0.40120%0.203SC..SBendtrans-68.194.1158.5174.436.4000108K569 Y616D567-K569 IonicContact OD1-NZ 3.47Å; D567-K569 PolarHBondContact OD1-NZ 3.03Å; D567-Y616 HydrophobicContact CB-CD1 4.34Å; D567-Y616 HydrophobicContact CB-CE1 3.7Å
568T87.4Confident91.3Very high22 Ų2241 Ų4114%0.13522%0.22CC..  trans-132.1153174.950.90000107.6K566 V572 A573 E576K566-T568 VanDerWaalsContact C-N 3.25Å; K566-T568 HydrophobicContact CB-CG2 3.78Å; K566-T568 HydrophobicContact CD-CG2 4.48Å; K566-T568 PolarHBondContact O-N 3.25Å; K566-T568 PolarHBondContact O-OG1 2.67Å; T568-V572 HydrophobicContact CG2-CG1 3.76Å; T568-A573 WeakPolarHBondContact O-CB 3.38Å; T568-E576 PolarHBondContact OG1-OE2 2.7Å; T568-E576 VanDerWaalsContact OG1-OE2 3.09Å
569K86.9Confident91.3Very high93 Ų9346.5 Ų46.540%0.40425%0.246SC..  trans-136.7158.2-175.5-54.7-179.4-175.5-56.60109E369 D567E369-K569 IonicContact OE1-NZ 3.46Å; E369-K569 PolarHBondContact OE1-NZ 2.75Å; E369-K569 WeakPolarHBondContact OE2-CD 3.46Å; E369-K569 WeakPolarHBondContact OE2-CE 3.42Å; E369-K569 WeakPolarHBondContact OE2-CG 3.43Å; E369-K569 IonicContact OE2-NZ 3.35Å; E369-K569 PolarHBondContact OE2-NZ 2.95Å; D567-K569 IonicContact OD1-NZ 3.47Å; D567-K569 PolarHBondContact OD1-NZ 3.03Å
570G88Confident91.3Very high10 Ų1047.9 Ų47.910%0.10325%0.253CS..Hα-helixtrans60.9-144.4179.300000114.6D370 V572 A573 A574D370-G570 WeakPolarHBondContact OD1-CA 3.27Å; D370-G570 PolarHBondContact OD1-N 3.48Å; D370-G570 WeakPolarHBondContact OD2-CA 3.5Å; D370-G570 PolarHBondContact OD2-N 3.44Å; G570-V572 PolarHBondContact O-N 2.93Å; G570-V572 VanDerWaalsContact O-N 3.14Å; G570-A573 WeakPolarHBondContact O-CB 3.43Å; G570-A573 PolarHBondContact O-N 2.78Å; G570-A574 PolarHBondContact O-N 3.05Å
571E91.3Very high91.4Very high159 Ų15948 Ų4874%0.74325%0.254SS*.Hα-helixtrans-53.6-36-175.3-172.6176.9-164.900113.6A574 S575E571-A574 PolarHBondContact O-N 3.42Å; E571-S575 PolarHBondContact O-N 2.85Å
572V93.5Very high91.4Very high93 Ų9351.7 Ų51.756%0.56428%0.278SS*.Hα-helixtrans-66.7-41.5178-1760000111.3T568 G570 S575 E576T568-V572 HydrophobicContact CG2-CG1 3.76Å; G570-V572 PolarHBondContact O-N 2.93Å; G570-V572 VanDerWaalsContact O-N 3.14Å; V572-S575 PolarHBondContact O-N 2.95Å; V572-E576 WeakPolarHBondContact O-CB 3.33Å; V572-E576 PolarHBondContact O-N 3.43Å
573A91.6Very high91.4Very high0 Ų057.7 Ų57.70%031%0.305CS..Hα-helixtrans-68.3-37.7174.500000111.8V371 T568 G570 E576 L577V371-A573 HydrophobicContact CG2-CB 4.01Å; T568-A573 WeakPolarHBondContact O-CB 3.38Å; G570-A573 WeakPolarHBondContact O-CB 3.43Å; G570-A573 PolarHBondContact O-N 2.78Å; A573-E576 PolarHBondContact O-N 3.28Å; A573-L577 VanDerWaalsContact O-CB 3.32Å; A573-L577 WeakPolarHBondContact O-CB 3.5Å; A573-L577 VanDerWaalsContact O-CG 3.25Å; A573-L577 WeakPolarHBondContact O-CG 3.19Å; A573-L577 PolarHBondContact O-N 2.88Å
574A93.3Very high91.5Very high15 Ų1555.6 Ų55.612%0.12430%0.297CS..Hα-helixtrans-63-41.4175.400000112V321 V371 G570 E571 S578V321-A574 HydrophobicContact CG1-CB 4.06Å; V371-A574 HydrophobicContact CG1-CB 4.09Å; V371-A574 HydrophobicContact CG2-CB 4.13Å; G570-A574 PolarHBondContact O-N 3.05Å; E571-A574 PolarHBondContact O-N 3.42Å; A574-S578 VanDerWaalsContact O-CB 3.32Å; A574-S578 WeakPolarHBondContact O-CB 3.28Å; A574-S578 PolarHBondContact O-N 3.41Å; A574-S578 PolarHBondContact O-OG 2.89Å
575S94.6Very high91.7Very high59 Ų5955.2 Ų55.241%0.41329%0.29SS..Hα-helixtrans-63.9-50.1173.2-163.60000111.5E571 V572 L577 S578 E579E571-S575 PolarHBondContact O-N 2.85Å; V572-S575 PolarHBondContact O-N 2.95Å; S575-L577 PolarHBondContact O-N 2.95Å; S575-S578 WeakPolarHBondContact O-CB 3.45Å; S575-S578 PolarHBondContact O-N 3.3Å; S575-S578 VanDerWaalsContact O-N 3.11Å; S575-E579 WeakPolarHBondContact O-CG 3.4Å; S575-E579 PolarHBondContact O-N 3Å; S575-E579 PolarHBondContact OG-OE1 3.15Å; S575-E579 VanDerWaalsContact OG-OE1 3.07Å
576E94.1Very high91.9Very high15 Ų1557.6 Ų57.67%0.0730%0.299CS..Hα-helixtrans-59.7-42.3-179.6176.9161.8-167.400112.4K566 T568 V572 A573 E579 I580K566-E576 WeakPolarHBondContact CG-OE1 3.26Å; K566-E576 PolarHBondContact N-OE1 2.84Å; K566-E576 IonicContact NZ-OE1 2.77Å; K566-E576 PolarHBondContact NZ-OE1 3.22Å; K566-E576 IonicContact NZ-OE2 3.22Å; K566-E576 PolarHBondContact NZ-OE2 2.9Å; T568-E576 PolarHBondContact OG1-OE2 2.7Å; T568-E576 VanDerWaalsContact OG1-OE2 3.09Å; V572-E576 WeakPolarHBondContact O-CB 3.33Å; V572-E576 PolarHBondContact O-N 3.43Å; A573-E576 PolarHBondContact O-N 3.28Å; E576-E579 PolarHBondContact O-N 2.87Å; E576-I580 HydrophobicContact CG-CD1 3.81Å; E576-I580 WeakPolarHBondContact O-CB 3.36Å; E576-I580 WeakPolarHBondContact O-CD1 3.43Å; E576-I580 WeakPolarHBondContact O-CG1 3.24Å; E576-I580 PolarHBondContact O-N 3.29Å; E576-I580 VanDerWaalsContact O-N 3.09Å
577L94.5Very high92Very high1 Ų151.5 Ų51.51%0.00527%0.273CS..Hα-helixtrans-68-37.9174.9-70.6169000112.2V321 V371 I373 K565 A573 S575 I580 L581 V613 I618V321-L577 HydrophobicContact CG1-CB 4.46Å; V371-L577 HydrophobicContact CB-CD1 4.47Å; V371-L577 HydrophobicContact CG1-CD1 3.92Å; I373-L577 HydrophobicContact CD1-CD1 4.46Å; I373-L577 HydrophobicContact CD1-CD2 4.37Å; K565-L577 HydrophobicContact CD-CD2 4.22Å; A573-L577 VanDerWaalsContact O-CB 3.32Å; A573-L577 WeakPolarHBondContact O-CB 3.5Å; A573-L577 VanDerWaalsContact O-CG 3.25Å; A573-L577 WeakPolarHBondContact O-CG 3.19Å; A573-L577 PolarHBondContact O-N 2.88Å; S575-L577 PolarHBondContact O-N 2.95Å; L577-I580 PolarHBondContact O-N 3.02Å; L577-L581 VanDerWaalsContact O-CG 3.29Å; L577-L581 WeakPolarHBondContact O-CG 3.37Å; L577-L581 PolarHBondContact O-N 3.01Å; L577-V613 HydrophobicContact CD1-CG1 4.36Å; L577-V613 HydrophobicContact CD2-CG1 4.18Å; L577-V613 HydrophobicContact CD2-CG2 4.31Å; L577-I618 HydrophobicContact CD2-CD1 3.85Å
578S94.7Very high92.3Very high56 Ų5648 Ų4839%0.39225%0.254SS..Hα-helixtrans-64.1-39.2175.8-59.70000112.2V321 A574 S575 P582V321-S578 WeakPolarHBondContact CB-OG 3.46Å; V321-S578 WeakPolarHBondContact CG2-OG 3.43Å; A574-S578 VanDerWaalsContact O-CB 3.32Å; A574-S578 WeakPolarHBondContact O-CB 3.28Å; A574-S578 PolarHBondContact O-N 3.41Å; A574-S578 PolarHBondContact O-OG 2.89Å; S575-S578 WeakPolarHBondContact O-CB 3.45Å; S575-S578 PolarHBondContact O-N 3.3Å; S575-S578 VanDerWaalsContact O-N 3.11Å; S578-P582 VanDerWaalsContact O-CD 3.29Å; S578-P582 WeakPolarHBondContact O-CD 3.43Å
579E94.1Very high92.6Very high126 Ų12650.5 Ų50.559%0.58926%0.264SS*.Hα-helixtrans-68.3-36.8175.4-72.5167.6-138.600112.2S575 E576 F583S575-E579 WeakPolarHBondContact O-CG 3.4Å; S575-E579 PolarHBondContact O-N 3Å; S575-E579 PolarHBondContact OG-OE1 3.15Å; S575-E579 VanDerWaalsContact OG-OE1 3.07Å; E576-E579 PolarHBondContact O-N 2.87Å; E579-F583 WeakPolarHBondContact O-CD2 3.33Å; E579-F583 VanDerWaalsContact O-CE2 3.27Å; E579-F583 WeakPolarHBondContact O-CE2 3.46Å
580I93Very high92.9Very high29 Ų2946.2 Ų46.215%0.14925%0.245CC..Hα-helixtrans-78.5-35.6-175.9-69.7166.8000113E576 L577 F583 I584 I618E576-I580 HydrophobicContact CG-CD1 3.81Å; E576-I580 WeakPolarHBondContact O-CB 3.36Å; E576-I580 WeakPolarHBondContact O-CD1 3.43Å; E576-I580 WeakPolarHBondContact O-CG1 3.24Å; E576-I580 PolarHBondContact O-N 3.29Å; E576-I580 VanDerWaalsContact O-N 3.09Å; L577-I580 PolarHBondContact O-N 3.02Å; I580-F583 PolarHBondContact O-N 2.86Å; I580-F583 VanDerWaalsContact O-N 3.15Å; I580-I584 HydrophobicContact CG2-CD1 3.64Å; I580-I584 HydrophobicContact CG2-CG1 3.93Å; I580-I584 PolarHBondContact O-N 2.96Å; I580-I618 HydrophobicContact CG2-CG2 4.13Å
581L94Very high93.1Very high10 Ų1046.1 Ų46.15%0.05224%0.242CC..Hα-helixtrans-55.9-45-171.1-84169.3000115.3K319 V321 I373 L577 F583 I584 D585 I611K319-L581 HydrophobicContact CD-CD1 4.45Å; K319-L581 HydrophobicContact CD-CD2 4.08Å; V321-L581 HydrophobicContact CG2-CD1 3.53Å; I373-L581 HydrophobicContact CD1-CD1 4.31Å; I373-L581 HydrophobicContact CD1-CD2 4.46Å; I373-L581 HydrophobicContact CG1-CD1 4.49Å; I373-L581 HydrophobicContact CG2-CD1 3.89Å; I373-L581 HydrophobicContact CG2-CD2 4.45Å; L577-L581 VanDerWaalsContact O-CG 3.29Å; L577-L581 WeakPolarHBondContact O-CG 3.37Å; L577-L581 PolarHBondContact O-N 3.01Å; L581-F583 VanDerWaalsContact C-N 3.26Å; L581-F583 PolarHBondContact O-N 2.67Å; L581-I584 WeakPolarHBondContact O-CB 3.44Å; L581-I584 PolarHBondContact O-N 3.19Å; L581-D585 PolarHBondContact O-N 3.39Å; L581-I611 HydrophobicContact CD2-CD1 3.79Å
582P92.8Very high93.2Very high79 Ų7938.6 Ų38.651%0.51321%0.207SC..Hα-helixtrans-59.3-34.6178.3-26.235.7000113.5S578 D585 Y586S578-P582 VanDerWaalsContact O-CD 3.29Å; S578-P582 WeakPolarHBondContact O-CD 3.43Å; P582-D585 PolarHBondContact O-N 2.94Å; P582-Y586 WeakPolarHBondContact O-CB 3.18Å; P582-Y586 PolarHBondContact O-N 3.24Å
583F92.5Very high93.2Very high127 Ų12734.9 Ų34.956%0.55718%0.183SC*.Hα-helixtrans-72.4-33.9176.3-59-76.4000112.2E579 I580 L581 E587E579-F583 WeakPolarHBondContact O-CD2 3.33Å; E579-F583 VanDerWaalsContact O-CE2 3.27Å; E579-F583 WeakPolarHBondContact O-CE2 3.46Å; I580-F583 PolarHBondContact O-N 2.86Å; I580-F583 VanDerWaalsContact O-N 3.15Å; L581-F583 VanDerWaalsContact C-N 3.26Å; L581-F583 PolarHBondContact O-N 2.67Å; F583-E587 WeakPolarHBondContact O-CB 3.1Å; F583-E587 PolarHBondContact O-N 3.02Å
584I93.1Very high93.2Very high1 Ų134.9 Ų34.91%0.00518%0.183CC..Hα-helixtrans-64.8-45.1172.1-67.8-179.9000110.3V561 I580 L581 E587 L588 I618 A620V561-I584 HydrophobicContact CB-CG2 4.38Å; V561-I584 HydrophobicContact CG1-CG1 4.08Å; V561-I584 HydrophobicContact CG1-CG2 4.45Å; I580-I584 HydrophobicContact CG2-CD1 3.64Å; I580-I584 HydrophobicContact CG2-CG1 3.93Å; I580-I584 PolarHBondContact O-N 2.96Å; L581-I584 WeakPolarHBondContact O-CB 3.44Å; L581-I584 PolarHBondContact O-N 3.19Å; I584-E587 PolarHBondContact O-N 2.76Å; I584-L588 HydrophobicContact CG2-CD1 3.82Å; I584-L588 HydrophobicContact CG2-CG 4.24Å; I584-L588 WeakPolarHBondContact O-CB 3.25Å; I584-L588 VanDerWaalsContact O-CG 3.28Å; I584-L588 WeakPolarHBondContact O-CG 3.44Å; I584-L588 PolarHBondContact O-N 2.87Å; I584-I618 HydrophobicContact CD1-CD1 3.61Å; I584-I618 HydrophobicContact CD1-CG1 3.84Å; I584-I618 HydrophobicContact CD1-CG2 3.92Å; I584-A620 HydrophobicContact CG2-CB 3.63Å
585D92.2Very high93.2Very high49 Ų4934.6 Ų34.626%0.26218%0.179SC..Hα-helixtrans-65.9-46.8179.8-82.7-35.4000112.8K319 L581 P582 E587 L588 H589K319-D585 WeakPolarHBondContact CE-OD2 3.32Å; K319-D585 IonicContact NZ-OD1 3.11Å; K319-D585 PolarHBondContact NZ-OD1 2.92Å; K319-D585 IonicContact NZ-OD2 3.1Å; K319-D585 PolarHBondContact NZ-OD2 2.9Å; L581-D585 PolarHBondContact O-N 3.39Å; P582-D585 PolarHBondContact O-N 2.94Å; D585-E587 VanDerWaalsContact C-N 3.31Å; D585-E587 PolarHBondContact O-N 3.38Å; D585-L588 PolarHBondContact O-N 2.91Å; D585-H589 WeakPolarHBondContact O-CB 3.4Å; D585-H589 PolarHBondContact O-N 2.87Å
586Y92.6Very high93.2Very high61 Ų6131.8 Ų31.824%0.23916%0.16CC..Hα-helixtrans-56.2-47.1173.2172.5-94.4000110.9P582 H589 Y590 T755P582-Y586 WeakPolarHBondContact O-CB 3.18Å; P582-Y586 PolarHBondContact O-N 3.24Å; Y586-H589 PolarHBondContact O-N 2.67Å; Y586-Y590 WeakPolarHBondContact O-CB 3.24Å; Y586-Y590 PolarHBondContact O-N 2.82Å; Y586-T755 HydrophobicContact CE2-CG2 4.01Å
587E91.1Very high93.1Very high1 Ų132.6 Ų32.61%0.00516%0.162CC..Hα-helixtrans-70.5-35.1-177.4-172.9172.7-163.400113V561 R563 F583 I584 D585 R591 F845V561-E587 WeakPolarHBondContact CG1-OE2 3.46Å; V561-E587 HydrophobicContact CG2-CB 3.92Å; V561-E587 HydrophobicContact CG2-CG 3.67Å; R563-E587 IonicContact CZ-OE2 3.23Å; R563-E587 IonicContact NE-OE2 2.66Å; R563-E587 PolarHBondContact NE-OE2 2.71Å; R563-E587 IonicContact NH2-OE2 2.68Å; R563-E587 PolarHBondContact NH2-OE2 3.37Å; F583-E587 WeakPolarHBondContact O-CB 3.1Å; F583-E587 PolarHBondContact O-N 3.02Å; I584-E587 PolarHBondContact O-N 2.76Å; D585-E587 VanDerWaalsContact C-N 3.31Å; D585-E587 PolarHBondContact O-N 3.38Å; E587-R591 HydrophobicContact CG-CG 4.29Å; E587-R591 WeakPolarHBondContact O-CB 3.21Å; E587-R591 WeakPolarHBondContact O-CG 3.34Å; E587-R591 PolarHBondContact O-N 2.91Å; E587-R591 IonicContact OE1-CZ 3.33Å; E587-R591 VanDerWaalsContact OE1-CZ 3.23Å; E587-R591 IonicContact OE1-NE 2.67Å; E587-R591 PolarHBondContact OE1-NE 2.8Å; E587-R591 VanDerWaalsContact OE1-NE 3.11Å; E587-R591 IonicContact OE1-NH2 2.75Å; E587-R591 PolarHBondContact OE1-NH2 2.69Å; E587-F845 VanDerWaalsContact OE1-CD2 3.32Å; E587-F845 WeakPolarHBondContact OE1-CD2 3.39Å
588L93.6Very high92.9Very high2 Ų232.6 Ų32.61%0.0116%0.162CC..Hα-helixtrans-63.9-49.5170.9-76.1171.9000110.9A559 V561 I584 D585 Y590 R591 L592 Y609 A620 A622A559-L588 HydrophobicContact CB-CD2 3.82Å; A559-L588 WeakPolarHBondContact CB-O 3.45Å; V561-L588 HydrophobicContact CB-CD2 4.44Å; V561-L588 HydrophobicContact CG2-CD2 3.86Å; V561-L588 HydrophobicContact CG2-CG 3.88Å; I584-L588 HydrophobicContact CG2-CD1 3.82Å; I584-L588 HydrophobicContact CG2-CG 4.24Å; I584-L588 WeakPolarHBondContact O-CB 3.25Å; I584-L588 VanDerWaalsContact O-CG 3.28Å; I584-L588 WeakPolarHBondContact O-CG 3.44Å; I584-L588 PolarHBondContact O-N 2.87Å; D585-L588 PolarHBondContact O-N 2.91Å; L588-Y590 PolarHBondContact O-N 2.86Å; L588-R591 PolarHBondContact O-N 3.46Å; L588-L592 WeakPolarHBondContact O-CG 3.46Å; L588-L592 PolarHBondContact O-N 3.47Å; L588-Y609 HydrophobicContact CD1-CD1 4.21Å; L588-Y609 HydrophobicContact CD1-CE1 4.37Å; L588-A620 HydrophobicContact CD1-CB 3.98Å; L588-A622 HydrophobicContact CD1-CB 4.46Å; L588-A622 HydrophobicContact CD2-CB 4.08Å
589H92.9Very high92.8Very high74 Ų7430.8 Ų30.834%0.34315%0.147SC..Hα-helixtrans-58.8-47.6178.2-177.896.1000111.3F539 D585 Y586 L592 M593F539-H589 AromaticContact CE2-CE1 3.65Å; F539-H589 AromaticContact CE2-ND1 3.54Å; D585-H589 WeakPolarHBondContact O-CB 3.4Å; D585-H589 PolarHBondContact O-N 2.87Å; Y586-H589 PolarHBondContact O-N 2.67Å; H589-L592 WeakPolarHBondContact O-CB 3.46Å; H589-L592 PolarHBondContact O-N 2.93Å; H589-M593 PolarHBondContact O-N 2.86Å
590Y92.5Very high92.8Very high3 Ų325.4 Ų25.41%0.01212%0.122CC..Hα-helixtrans-58.1-50.8175.1173.2-114000112.5Y586 L588 L592 M593 Q594 T755 R756 P758 E762Y586-Y590 WeakPolarHBondContact O-CB 3.24Å; Y586-Y590 PolarHBondContact O-N 2.82Å; L588-Y590 PolarHBondContact O-N 2.86Å; Y590-L592 VanDerWaalsContact C-N 3.28Å; Y590-L592 PolarHBondContact O-N 3.32Å; Y590-M593 PolarHBondContact O-N 2.73Å; Y590-Q594 HydrophobicContact CD2-CG 3.92Å; Y590-Q594 HydrophobicContact CE2-CG 3.52Å; Y590-Q594 WeakPolarHBondContact O-CG 3.45Å; Y590-Q594 PolarHBondContact O-N 3Å; Y590-T755 HydrophobicContact CD2-CG2 4.43Å; Y590-R756 WeakPolarHBondContact CE2-O 3.29Å; Y590-R756 PolarHBondContact OH-NH1 2.99Å; Y590-R756 VanDerWaalsContact OH-NH1 3.11Å; Y590-P758 WeakPolarHBondContact OH-CA 3.35Å; Y590-P758 VanDerWaalsContact OH-CB 3.31Å; Y590-P758 WeakPolarHBondContact OH-CB 3.49Å; Y590-E762 PolarHBondContact OH-OE2 2.8Å
591R92.2Very high92.8Very high9 Ų924.1 Ų24.13%0.03412%0.115CC..Hα-helixtrans-64.1-29.3177.4-73.1175.1-177.6-143.2-1.2112.2A559 R560 E587 L588 K595 D843 F845A559-R591 HydrophobicContact CB-CB 3.76Å; R560-R591 WeakPolarHBondContact O-CD 3.32Å; R560-R591 PolarHBondContact O-NH1 3.32Å; E587-R591 HydrophobicContact CG-CG 4.29Å; E587-R591 WeakPolarHBondContact O-CB 3.21Å; E587-R591 WeakPolarHBondContact O-CG 3.34Å; E587-R591 PolarHBondContact O-N 2.91Å; E587-R591 IonicContact OE1-CZ 3.33Å; E587-R591 VanDerWaalsContact OE1-CZ 3.23Å; E587-R591 IonicContact OE1-NE 2.67Å; E587-R591 PolarHBondContact OE1-NE 2.8Å; E587-R591 VanDerWaalsContact OE1-NE 3.11Å; E587-R591 IonicContact OE1-NH2 2.75Å; E587-R591 PolarHBondContact OE1-NH2 2.69Å; L588-R591 PolarHBondContact O-N 3.46Å; R591-K595 WeakPolarHBondContact O-CB 3.28Å; R591-K595 WeakPolarHBondContact O-CD 3.29Å; R591-K595 WeakPolarHBondContact O-CG 3.45Å; R591-K595 PolarHBondContact O-N 2.86Å; R591-D843 IonicContact NH1-OD2 3.38Å; R591-D843 PolarHBondContact NH1-OD2 3.07Å; R591-D843 PolarHBondContact NH2-O 3.11Å; R591-F845 HydrophobicContact CG-CE2 4.46Å
592L94.4Very high92.8Very high0 Ų023.6 Ų23.60%011%0.113CC..Hα-helixtrans-69.9-53.1171.2-73.1174.1000111.1F539 V557 A559 L588 H589 Y590 Q594 K595 L596 L604 L607 A622F539-L592 HydrophobicContact CE2-CB 4.11Å; F539-L592 HydrophobicContact CE2-CD1 3.98Å; F539-L592 HydrophobicContact CZ-CB 3.82Å; F539-L592 HydrophobicContact CZ-CD1 4.43Å; V557-L592 HydrophobicContact CG1-CD2 3.98Å; A559-L592 HydrophobicContact CB-CD2 3.68Å; A559-L592 HydrophobicContact CB-CG 3.61Å; L588-L592 WeakPolarHBondContact O-CG 3.46Å; L588-L592 PolarHBondContact O-N 3.47Å; H589-L592 WeakPolarHBondContact O-CB 3.46Å; H589-L592 PolarHBondContact O-N 2.93Å; Y590-L592 VanDerWaalsContact C-N 3.28Å; Y590-L592 PolarHBondContact O-N 3.32Å; L592-Q594 PolarHBondContact O-N 2.97Å; L592-K595 PolarHBondContact O-N 2.88Å; L592-L596 PolarHBondContact O-N 3.41Å; L592-L604 HydrophobicContact CB-CD2 4.4Å; L592-L604 HydrophobicContact CD1-CD2 3.9Å; L592-L604 HydrophobicContact CD2-CD2 4.05Å; L592-L604 HydrophobicContact CG-CD2 4.33Å; L592-L607 HydrophobicContact CD1-CD1 4.05Å; L592-L607 HydrophobicContact CD1-CD2 4.36Å; L592-A622 HydrophobicContact CD1-CB 4.1Å
593M92.7Very high92.9Very high15 Ų1519.9 Ų19.97%0.0749%0.088CC..Hα-helixtrans-58.5-49.9-178.4-178.3-16765.500111.6L537 H589 Y590 K595 L596 R597 T755L537-M593 HydrophobicContact CD2-CB 4.2Å; L537-M593 HydrophobicContact CD2-CG 3.82Å; H589-M593 PolarHBondContact O-N 2.86Å; Y590-M593 PolarHBondContact O-N 2.73Å; M593-K595 PolarHBondContact O-N 2.71Å; M593-L596 PolarHBondContact O-N 2.81Å; M593-L596 VanDerWaalsContact O-N 3.09Å; M593-R597 HydrophobicContact CG-CG 4.48Å; M593-R597 WeakPolarHBondContact O-CG 3.36Å; M593-R597 PolarHBondContact O-N 2.82Å; M593-R597 PolarHBondContact SD-NH2 2.91Å; M593-T755 HydrophobicContact CE-CG2 4.36Å; M593-T755 WeakPolarHBondContact CE-OG1 3.43Å; M593-T755 PolarHBondContact SD-OG1 3.11Å
594Q92.2Very high93.1Very high0 Ų013.8 Ų13.80%06%0.062CC..Hα-helixtrans-64.4-30.8-178.2-65.8-64.3-5.200111.9Y590 L592 L598 R756 L766Y590-Q594 HydrophobicContact CD2-CG 3.92Å; Y590-Q594 HydrophobicContact CE2-CG 3.52Å; Y590-Q594 WeakPolarHBondContact O-CG 3.45Å; Y590-Q594 PolarHBondContact O-N 3Å; L592-Q594 PolarHBondContact O-N 2.97Å; Q594-L598 WeakPolarHBondContact O-CB 3.15Å; Q594-L598 WeakPolarHBondContact O-CG 3.5Å; Q594-L598 PolarHBondContact O-N 3.14Å; Q594-R756 PolarHBondContact NE2-O 3.34Å; Q594-L766 HydrophobicContact CB-CD1 3.73Å
595K93.3Very high93.2Very high9 Ų913.8 Ų13.84%0.0396%0.061CC..Hα-helixtrans-70.8-37172.2-72.1177.9-166.1-164.40112.7V557 Q558 R591 L592 M593 L598 R599 L766 D769V557-K595 HydrophobicContact CG1-CB 4Å; Q558-K595 WeakPolarHBondContact O-CD 3.47Å; Q558-K595 PolarHBondContact O-NZ 3.2Å; R591-K595 WeakPolarHBondContact O-CB 3.28Å; R591-K595 WeakPolarHBondContact O-CD 3.29Å; R591-K595 WeakPolarHBondContact O-CG 3.45Å; R591-K595 PolarHBondContact O-N 2.86Å; L592-K595 PolarHBondContact O-N 2.88Å; M593-K595 PolarHBondContact O-N 2.71Å; K595-L598 CarbonylContact O-C 3.42Å; K595-L598 PolarHBondContact O-N 3.3Å; K595-R599 WeakPolarHBondContact O-CB 3.28Å; K595-R599 VanDerWaalsContact O-CG 3.28Å; K595-R599 WeakPolarHBondContact O-CG 3.41Å; K595-R599 PolarHBondContact O-N 3.41Å; K595-L766 HydrophobicContact CD-CD2 4.38Å; K595-L766 VanDerWaalsContact CE-CD2 3.43Å; K595-L766 HydrophobicContact CG-CD2 3.97Å; K595-D769 WeakPolarHBondContact CE-OD2 3.33Å; K595-D769 IonicContact NZ-OD2 3.39Å; K595-D769 PolarHBondContact NZ-OD2 3.22Å
596L93.7Very high93.4Very high0 Ų011.7 Ų11.70%05%0.051CC..Hα-helixtrans-66.6-42.5174.2-73.5160.5000111.6L537 F539 V557 L592 M593 L598 R599 N600 M601 L604L537-L596 HydrophobicContact CD1-CD1 4.16Å; F539-L596 HydrophobicContact CD1-CD1 4.4Å; F539-L596 HydrophobicContact CE1-CD1 3.48Å; F539-L596 VanDerWaalsContact CE1-CD1 3.48Å; F539-L596 HydrophobicContact CZ-CD1 4.11Å; V557-L596 HydrophobicContact CG1-CG 4.39Å; V557-L596 HydrophobicContact CG2-CD2 3.96Å; V557-L596 HydrophobicContact CG2-CG 4.49Å; L592-L596 PolarHBondContact O-N 3.41Å; M593-L596 PolarHBondContact O-N 2.81Å; M593-L596 VanDerWaalsContact O-N 3.09Å; L596-L598 PolarHBondContact O-N 2.93Å; L596-R599 CarbonylContact O-C 3.57Å; L596-R599 WeakPolarHBondContact O-CA 3.44Å; L596-R599 PolarHBondContact O-N 3.05Å; L596-N600 PolarHBondContact O-N 2.86Å; L596-M601 CarbonylContact C-O 3.52Å; L596-M601 HydrophobicContact CD2-CB 3.74Å; L596-M601 PolarHBondContact O-N 3.05Å; L596-L604 HydrophobicContact CD1-CB 3.94Å; L596-L604 HydrophobicContact CD1-CD1 4.43Å; L596-L604 HydrophobicContact CD1-CD2 4.18Å; L596-L604 HydrophobicContact CD1-CG 4.42Å; L596-L604 HydrophobicContact CD2-CD1 4.44Å
597R92.6Very high93.6Very high33 Ų338.8 Ų8.813%0.1254%0.04CC..Hα-helixtrans-56-48.6169.5-67-179.3-178.1-164.52.8111.4M593 R599 N600 P635 P638 L667 E757M593-R597 HydrophobicContact CG-CG 4.48Å; M593-R597 WeakPolarHBondContact O-CG 3.36Å; M593-R597 PolarHBondContact O-N 2.82Å; M593-R597 PolarHBondContact SD-NH2 2.91Å; R597-R599 PolarHBondContact O-N 3Å; R597-N600 PolarHBondContact O-N 3.24Å; R597-P635 HydrophobicContact CG-CB 4.2Å; R597-P638 HydrophobicContact CB-CG 4.08Å; R597-L667 WeakPolarHBondContact O-CD2 3.46Å; R597-E757 IonicContact CZ-OE1 3.24Å; R597-E757 IonicContact NH1-OE1 2.99Å; R597-E757 PolarHBondContact NH1-OE1 3.15Å; R597-E757 IonicContact NH1-OE2 2.87Å; R597-E757 PolarHBondContact NH1-OE2 3.25Å; R597-E757 IonicContact NH2-OE1 2.75Å
598L91.8Very high93.8Very high1 Ų110.4 Ų10.41%0.0055%0.046CC..Hα-helixtrans-66.2-18.5174.7-74.4172.4000114.7Q594 K595 L596 P638 I663 Y666 L763 L766 L767Q594-L598 WeakPolarHBondContact O-CB 3.15Å; Q594-L598 WeakPolarHBondContact O-CG 3.5Å; Q594-L598 PolarHBondContact O-N 3.14Å; K595-L598 CarbonylContact O-C 3.42Å; K595-L598 PolarHBondContact O-N 3.3Å; L596-L598 PolarHBondContact O-N 2.93Å; L598-P638 HydrophobicContact CD2-CG 4.05Å; L598-P638 HydrophobicContact CG-CG 4.09Å; L598-I663 HydrophobicContact CD2-CG2 4.18Å; L598-Y666 HydrophobicContact CB-CD1 4.47Å; L598-Y666 HydrophobicContact CB-CE1 4.26Å; L598-Y666 WeakPolarHBondContact O-CD1 3.48Å; L598-L763 HydrophobicContact CD1-CD1 4.07Å; L598-L763 HydrophobicContact CD2-CD1 4.26Å; L598-L766 HydrophobicContact CD1-CB 3.73Å; L598-L766 HydrophobicContact CD1-CD1 4.34Å; L598-L767 HydrophobicContact CD1-CD2 4.45Å; L598-L767 HydrophobicContact CD2-CD2 4.02Å
599R91.9Very high93.8Very high17 Ų1711 Ų116%0.0645%0.048CC..Hα-helixtrans-87.2-13.7170.7-71.6-67179.7-76.212.3113.2K595 L596 R597 M601 Y666 S670 Y674K595-R599 WeakPolarHBondContact O-CB 3.28Å; K595-R599 VanDerWaalsContact O-CG 3.28Å; K595-R599 WeakPolarHBondContact O-CG 3.41Å; K595-R599 PolarHBondContact O-N 3.41Å; L596-R599 CarbonylContact O-C 3.57Å; L596-R599 WeakPolarHBondContact O-CA 3.44Å; L596-R599 PolarHBondContact O-N 3.05Å; R597-R599 PolarHBondContact O-N 3Å; R599-M601 HydrophobicContact CB-CB 4.15Å; R599-M601 HydrophobicContact CB-CG 3.9Å; R599-M601 HydrophobicContact CB-SD 3.78Å; R599-M601 HydrophobicContact CG-SD 4.36Å; R599-Y666 PolarHBondContact NH1-OH 3.33Å; R599-Y666 PolarHBondContact NH2-OH 3.09Å; R599-S670 VanDerWaalsContact CA-OG 3.28Å; R599-S670 WeakPolarHBondContact CA-OG 3.37Å; R599-S670 PolarHBondContact O-OG 2.76Å; R599-Y674 VanDerWaalsContact CD-CE2 3.44Å
600N92.8Very high93.9Very high14 Ų148.2 Ų8.28%0.0754%0.035CC..THydrogen-bonded Turntrans57.147.9-162-16560.2000112.7L596 R597 Y628 S634 R671 I676L596-N600 PolarHBondContact O-N 2.86Å; R597-N600 PolarHBondContact O-N 3.24Å; N600-Y628 WeakPolarHBondContact O-CD2 3.29Å; N600-S634 PolarHBondContact ND2-OG 3.1Å; N600-S634 PolarHBondContact OD1-OG 2.75Å; N600-S634 VanDerWaalsContact OD1-OG 3.1Å; N600-R671 HydrophobicContact CB-CG 4.14Å; N600-I676 WeakPolarHBondContact O-CD1 3.45Å
601M93.8Very high93.9Very high1 Ų18.7 Ų8.71%0.0054%0.038CC..  trans-123.1149.6-179-73.9176166.300111.2N553 A555 L596 R599 V627 Y674 I676N553-M601 WeakPolarHBondContact O-CE 3.35Å; A555-M601 HydrophobicContact CB-CE 3.69Å; A555-M601 HydrophobicContact CB-SD 3.72Å; L596-M601 CarbonylContact C-O 3.52Å; L596-M601 HydrophobicContact CD2-CB 3.74Å; L596-M601 PolarHBondContact O-N 3.05Å; R599-M601 HydrophobicContact CB-CB 4.15Å; R599-M601 HydrophobicContact CB-CG 3.9Å; R599-M601 HydrophobicContact CB-SD 3.78Å; R599-M601 HydrophobicContact CG-SD 4.36Å; M601-V627 WeakPolarHBondContact CB-O 3.41Å; M601-Y674 HydrophobicContact CE-CD1 4Å; M601-Y674 HydrophobicContact CE-CD2 4.33Å; M601-Y674 HydrophobicContact CE-CG 3.79Å; M601-I676 HydrophobicContact CE-CD1 4.02Å; M601-I676 HydrophobicContact CG-CD1 3.86Å
602N93.9Very high94Very high0 Ų08.5 Ų8.50%04%0.038CC..  trans-1290.8-173.661.910.3000113.9L537 L538 V627 Y628 I629 L632 P633L537-N602 WeakPolarHBondContact CA-O 3.45Å; L538-N602 PolarHBondContact N-O 3.46Å; N602-V627 PolarHBondContact N-O 2.91Å; N602-V627 VanDerWaalsContact N-O 3.13Å; N602-Y628 WeakPolarHBondContact OD1-CA 3.22Å; N602-I629 PolarHBondContact ND2-O 3.22Å; N602-I629 PolarHBondContact OD1-N 3.46Å; N602-L632 HydrophobicContact CB-CB 4.33Å; N602-L632 HydrophobicContact CB-CD2 4.44Å; N602-L632 VanDerWaalsContact ND2-CB 3.27Å; N602-L632 WeakPolarHBondContact ND2-CB 3.29Å; N602-P633 PolarHBondContact ND2-O 2.98Å
603G94.7Very high93.8Very high0 Ų09.1 Ų9.10%04%0.041CC..EExtended strand (participates in β ladder)trans-126.3148.8171.100000112.3L538 G626 V627L538-G603 CarbonylContact O-C 3.57Å; L538-G603 WeakPolarHBondContact O-CA 3.43Å; G603-G626 WeakPolarHBondContact O-CA 3.39Å; G603-V627 PolarHBondContact N-O 2.81Å; G603-V627 PolarHBondContact O-N 3.47Å
604L96.8Very high93.6Very high0 Ų08.7 Ų8.70%04%0.041CC..EExtended strand (participates in β ladder)trans-138.8115.7175.4-175.668.6000109.4L538 F539 S540 V557 L592 L596 L607 T625L538-L604 PolarHBondContact O-N 2.82Å; F539-L604 CarbonylContact C-O 3.57Å; F539-L604 HydrophobicContact CD1-CB 3.7Å; F539-L604 HydrophobicContact CD1-CD2 3.92Å; F539-L604 HydrophobicContact CD1-CG 4.44Å; F539-L604 HydrophobicContact CD2-CD2 4.38Å; F539-L604 HydrophobicContact CE1-CB 4.08Å; F539-L604 HydrophobicContact CE1-CD2 3.9Å; F539-L604 HydrophobicContact CE2-CD2 4.36Å; F539-L604 HydrophobicContact CG-CB 4.41Å; F539-L604 HydrophobicContact CG-CD2 4.18Å; F539-L604 HydrophobicContact CZ-CD2 4.13Å; S540-L604 PolarHBondContact N-O 3.41Å; V557-L604 HydrophobicContact CB-CD1 3.94Å; V557-L604 HydrophobicContact CG1-CD1 4.41Å; V557-L604 HydrophobicContact CG2-CD1 4.43Å; L592-L604 HydrophobicContact CB-CD2 4.4Å; L592-L604 HydrophobicContact CD1-CD2 3.9Å; L592-L604 HydrophobicContact CD2-CD2 4.05Å; L592-L604 HydrophobicContact CG-CD2 4.33Å; L596-L604 HydrophobicContact CD1-CB 3.94Å; L596-L604 HydrophobicContact CD1-CD1 4.43Å; L596-L604 HydrophobicContact CD1-CD2 4.18Å; L596-L604 HydrophobicContact CD1-CG 4.42Å; L596-L604 HydrophobicContact CD2-CD1 4.44Å; L604-L607 HydrophobicContact CD2-CD1 4.05Å; L604-L607 HydrophobicContact CD2-CD2 4.07Å; L604-T625 WeakPolarHBondContact CA-O 3.45Å
605F96.2Very high93.4Very high0 Ų012.3 Ų12.30%06%0.058CC..EExtended strand (participates in β ladder)trans-120.1165-175.7-72.1-94.4000112.2F312 L538 S540 S542 F544 L548 L607 G624 T625 V627 I629 T780 T781F312-F605 HydrophobicContact CE1-CE1 4.45Å; F312-F605 AromaticContact CZ-CE1 3.9Å; F312-F605 HydrophobicContact CZ-CE1 3.9Å; F312-F605 HydrophobicContact CZ-CZ 4.43Å; L538-F605 HydrophobicContact CD2-CZ 3.83Å; L538-F605 HydrophobicContact CG-CZ 4.48Å; S540-F605 CarbonylContact O-C 3.52Å; S540-F605 WeakPolarHBondContact O-CA 3.37Å; S542-F605 WeakPolarHBondContact O-CB 3.07Å; S542-F605 WeakPolarHBondContact O-CD1 3.23Å; F544-F605 HydrophobicContact CD1-CB 3.73Å; F544-F605 HydrophobicContact CD1-CD1 4.02Å; F544-F605 AromaticContact CD1-CD2 3.63Å; F544-F605 HydrophobicContact CD1-CD2 3.63Å; F544-F605 HydrophobicContact CD1-CE2 4.24Å; F544-F605 AromaticContact CD1-CG 3.5Å; F544-F605 HydrophobicContact CD1-CG 3.5Å; F544-F605 HydrophobicContact CE1-CB 3.48Å; F544-F605 VanDerWaalsContact CE1-CB 3.48Å; F544-F605 AromaticContact CE1-CD2 3.6Å; F544-F605 HydrophobicContact CE1-CD2 3.6Å; F544-F605 AromaticContact CE1-CG 3.63Å; F544-F605 HydrophobicContact CE1-CG 3.63Å; F544-F605 HydrophobicContact CZ-CB 4.23Å; L548-F605 HydrophobicContact CD2-CE1 4.06Å; L548-F605 HydrophobicContact CD2-CE2 3.85Å; L548-F605 HydrophobicContact CD2-CZ 3.33Å; F605-L607 PolarHBondContact O-N 3Å; F605-G624 WeakPolarHBondContact O-CA 3.43Å; F605-T625 PolarHBondContact N-O 3.11Å; F605-T625 PolarHBondContact O-N 3.12Å; F605-V627 HydrophobicContact CD2-CG2 3.72Å; F605-V627 HydrophobicContact CE2-CG2 3.87Å; F605-I629 HydrophobicContact CE2-CD1 3.99Å; F605-I629 HydrophobicContact CE2-CG1 4.45Å; F605-I629 HydrophobicContact CZ-CD1 4.3Å; F605-T780 PolarHBondContact O-OG1 3.17Å; F605-T781 HydrophobicContact CB-CG2 4.23Å
606G95.3Very high93.1Very high5 Ų516.5 Ų16.55%0.0527%0.074CC..EExtended strand (participates in β ladder)trans56.734.1-177.100000112.1S540 S542 R608 T780S540-G606 PolarHBondContact O-N 2.91Å; S542-G606 PolarHBondContact O-N 3.01Å; G606-R608 PolarHBondContact O-N 3.32Å; G606-T780 WeakPolarHBondContact O-CB 3.19Å; G606-T780 PolarHBondContact O-OG1 3.21Å
607L96.5Very high92.9Very high0 Ų017.5 Ų17.50%08%0.079CC..EExtended strand (participates in β ladder)trans-71.7123.5-176.1-179.757.1000111L315 F539 S540 L592 L604 F605 Y609 A622 T623L315-L607 HydrophobicContact CD1-CD2 4.37Å; L315-L607 HydrophobicContact CD2-CD2 3.7Å; F539-L607 HydrophobicContact CB-CD2 4.4Å; F539-L607 HydrophobicContact CD2-CD2 4.24Å; S540-L607 WeakPolarHBondContact O-CB 3.49Å; S540-L607 PolarHBondContact O-N 3.06Å; L592-L607 HydrophobicContact CD1-CD1 4.05Å; L592-L607 HydrophobicContact CD1-CD2 4.36Å; L604-L607 HydrophobicContact CD2-CD1 4.05Å; L604-L607 HydrophobicContact CD2-CD2 4.07Å; F605-L607 PolarHBondContact O-N 3Å; L607-Y609 HydrophobicContact CD1-CE2 4.49Å; L607-Y609 HydrophobicContact CD2-CE2 3.91Å; L607-Y609 HydrophobicContact CG-CE2 3.89Å; L607-A622 HydrophobicContact CD1-CB 4.33Å; L607-T623 WeakPolarHBondContact CA-O 3.45Å
608R95.4Very high92.9Very high35 Ų3515.9 Ų15.913%0.1327%0.073CC..EExtended strand (participates in β ladder)trans-121.8147174-61.5-176.4-178.9-152.61110.8G606 A622 T623 D1027G606-R608 PolarHBondContact O-N 3.32Å; R608-A622 CarbonylContact O-C 3.56Å; R608-A622 VanDerWaalsContact O-CA 3.3Å; R608-A622 WeakPolarHBondContact O-CA 3.27Å; R608-T623 PolarHBondContact N-O 2.89Å; R608-T623 PolarHBondContact O-N 2.95Å; R608-D1027 WeakPolarHBondContact CD-OD1 3.15Å; R608-D1027 IonicContact CZ-OD1 3.16Å; R608-D1027 IonicContact NE-OD1 2.93Å; R608-D1027 IonicContact NH1-OD1 3.6Å; R608-D1027 PolarHBondContact NH1-OD1 3.49Å; R608-D1027 IonicContact NH1-OD2 2.67Å
609Y94.2Very high93Very high15 Ų1515.9 Ų15.96%0.0597%0.073CC..EExtended strand (participates in β ladder)trans-114.9141.4172.6-67.4-97000109.5L315 Y377 L588 L607 A622L315-Y609 HydrophobicContact CD2-CE2 4.1Å; L315-Y609 WeakPolarHBondContact CD2-OH 3.39Å; Y377-Y609 HydrophobicContact CD2-CD2 4.12Å; Y377-Y609 HydrophobicContact CE2-CD2 4.04Å; Y377-Y609 HydrophobicContact CG-CD2 4.46Å; Y377-Y609 PolarHBondContact OH-N 2.59Å; L588-Y609 HydrophobicContact CD1-CD1 4.21Å; L588-Y609 HydrophobicContact CD1-CE1 4.37Å; L607-Y609 HydrophobicContact CD1-CE2 4.49Å; L607-Y609 HydrophobicContact CD2-CE2 3.91Å; L607-Y609 HydrophobicContact CG-CE2 3.89Å; Y609-A622 HydrophobicContact CD1-CB 3.78Å; Y609-A622 HydrophobicContact CE1-CB 3.8Å; Y609-A622 HydrophobicContact CG-CB 4.46Å
610R94.2Very high93.1Very high16 Ų1615 Ų156%0.067%0.07CC..EExtended strand (participates in β ladder)trans-134.7142.2163.9-55.3-71.5-171.1-170.2-9.9109.3E364 A620 I621 D1027 Y1028 R1029E364-R610 IonicContact OE1-CZ 3.77Å; E364-R610 IonicContact OE1-NH1 2.78Å; E364-R610 PolarHBondContact OE1-NH1 3.03Å; E364-R610 IonicContact OE2-CZ 3.16Å; E364-R610 IonicContact OE2-NH1 3.37Å; E364-R610 PolarHBondContact OE2-NH1 2.86Å; R610-A620 WeakPolarHBondContact O-CA 3.08Å; R610-I621 HydrophobicContact CB-CG2 3.93Å; R610-I621 HydrophobicContact CG-CG2 4.46Å; R610-I621 PolarHBondContact N-O 2.82Å; R610-I621 PolarHBondContact O-N 3.05Å; R610-D1027 IonicContact CZ-OD1 3.21Å; R610-D1027 IonicContact CZ-OD2 3.33Å; R610-D1027 IonicContact NE-OD1 3.48Å; R610-D1027 IonicContact NE-OD2 3.82Å; R610-D1027 VanDerWaalsContact NH2-CG 3.32Å; R610-D1027 IonicContact NH2-OD1 3.35Å; R610-D1027 PolarHBondContact NH2-OD1 2.91Å; R610-D1027 VanDerWaalsContact NH2-OD1 3.1Å; R610-D1027 IonicContact NH2-OD2 2.67Å; R610-D1027 PolarHBondContact NH2-OD2 3.29Å; R610-Y1028 VanDerWaalsContact CG-O 3.27Å; R610-Y1028 WeakPolarHBondContact CG-O 3.44Å; R610-Y1028 PolarHBondContact NE-O 3.44Å; R610-R1029 VanDerWaalsContact NH1-NH2 3.12Å; R610-R1029 VanDerWaalsContact NH2-NE 3.19Å
611I94.1Very high93.3Very high13 Ų1314.5 Ų14.57%0.0677%0.067CC..EExtended strand (participates in β ladder)trans-120.5146.1172.1-59178.2000107.2K319 T366 I373 L581 V613 I618 A619 A620K319-I611 HydrophobicContact CD-CD1 4.43Å; T366-I611 WeakPolarHBondContact CG2-O 3.37Å; T366-I611 PolarHBondContact OG1-O 2.87Å; I373-I611 HydrophobicContact CD1-CG2 4.3Å; L581-I611 HydrophobicContact CD2-CD1 3.79Å; I611-V613 HydrophobicContact CG2-CG2 4.31Å; I611-I618 HydrophobicContact CG2-CD1 4.06Å; I611-I618 HydrophobicContact CG2-CG1 4.22Å; I611-A619 CarbonylContact C-O 3.59Å; I611-A620 HydrophobicContact CG1-CB 4.1Å
612A92.5Very high93.4Very high4 Ų414.5 Ų14.53%0.0337%0.067CC..EExtended strand (participates in β ladder)trans-134.1137.6169.900000108.1A619 L1030 F1032A612-A619 PolarHBondContact N-O 2.85Å; A612-A619 PolarHBondContact O-N 3.37Å; A612-A619 VanDerWaalsContact O-O 3.09Å; A612-L1030 HydrophobicContact CB-CB 4.26Å; A612-L1030 HydrophobicContact CB-CD2 4.1Å; A612-L1030 HydrophobicContact CB-CG 3.99Å; A612-F1032 HydrophobicContact CB-CD2 3.82Å; A612-F1032 HydrophobicContact CB-CE2 4Å
613V91.9Very high93.5Very high13 Ų1314.7 Ų14.78%0.0797%0.068CC..EExtended strand (participates in β ladder)trans-121.5133.9178.1-176.90000108.3T366 Y368 I373 K565 L577 I611 I618T366-V613 HydrophobicContact CG2-CG2 4.27Å; Y368-V613 HydrophobicContact CD1-CG1 4.06Å; Y368-V613 HydrophobicContact CD2-CG1 4.16Å; Y368-V613 HydrophobicContact CG-CB 4.27Å; Y368-V613 HydrophobicContact CG-CG1 3.69Å; I373-V613 HydrophobicContact CD1-CG2 3.66Å; K565-V613 HydrophobicContact CD-CG1 4.17Å; L577-V613 HydrophobicContact CD1-CG1 4.36Å; L577-V613 HydrophobicContact CD2-CG1 4.18Å; L577-V613 HydrophobicContact CD2-CG2 4.31Å; I611-V613 HydrophobicContact CG2-CG2 4.31Å; V613-I618 HydrophobicContact CG2-CD1 4.02Å; V613-I618 HydrophobicContact CG2-CG1 4.16Å
614G88.5Confident93.6Very high7 Ų714.7 Ų14.77%0.0727%0.068CC..  trans-126.9-16717400000111.7Y368 K565 M617Y368-G614 VanDerWaalsContact CE2-C 3.47Å; Y368-G614 WeakPolarHBondContact CE2-O 3.36Å; K565-G614 PolarHBondContact NZ-O 3.31Å; G614-M617 PolarHBondContact N-O 3.4Å
615E86.6Confident93.6Very high75 Ų7514.7 Ų14.735%0.357%0.068SC..SBendtrans-64.2-55.7-174.4-159.6170.2132.100112.1K565K565-E615 PolarHBondContact NZ-O 2.84Å
616Y87.7Confident93.5Very high98 Ų9814.7 Ų14.738%0.3847%0.068SC..SBendtrans-109.81-177.9-54.1-80000114.6S564 K565 D567 E1036S564-Y616 WeakPolarHBondContact CA-O 3.38Å; K565-Y616 PolarHBondContact N-O 2.77Å; K565-Y616 CarbonylContact O-C 3.36Å; K565-Y616 WeakPolarHBondContact O-CA 3.41Å; K565-Y616 VanDerWaalsContact O-O 3.08Å; D567-Y616 HydrophobicContact CB-CD1 4.34Å; D567-Y616 HydrophobicContact CB-CE1 3.7Å; Y616-E1036 WeakPolarHBondContact CD2-OE2 3.42Å
617M89.6Confident93.5Very high20 Ų2014.5 Ų14.510%0.0997%0.066CC..EExtended strand (participates in β ladder)trans-141.2140.8-169.5-71.2-83.2-113.500111.8C562 R563 G614 L839 P842 F1032C562-M617 VanDerWaalsContact SG-CE 3.55Å; R563-M617 WeakPolarHBondContact O-CA 3.31Å; G614-M617 PolarHBondContact N-O 3.4Å; M617-L839 HydrophobicContact CE-CB 3.75Å; M617-L839 HydrophobicContact CE-CD1 4.19Å; M617-P842 HydrophobicContact SD-CB 4.3Å; M617-F1032 HydrophobicContact CB-CE1 4.08Å; M617-F1032 HydrophobicContact CB-CZ 3.72Å
618I93Very high93.4Very high0 Ų015.3 Ų15.30%07%0.069CC..EExtended strand (participates in β ladder)trans-112138.3159.9179.7165.4000108.7I373 C562 R563 L577 I580 I584 I611 V613I373-I618 HydrophobicContact CD1-CD1 4.38Å; C562-I618 CarbonylContact C-O 3.54Å; C562-I618 VanDerWaalsContact CA-O 3.29Å; C562-I618 WeakPolarHBondContact CA-O 3.43Å; C562-I618 PolarHBondContact SG-O 3.1Å; C562-I618 VanDerWaalsContact SG-O 3.42Å; R563-I618 HydrophobicContact CB-CG2 4.01Å; R563-I618 PolarHBondContact N-O 3.06Å; R563-I618 PolarHBondContact O-N 2.94Å; L577-I618 HydrophobicContact CD2-CD1 3.85Å; I580-I618 HydrophobicContact CG2-CG2 4.13Å; I584-I618 HydrophobicContact CD1-CD1 3.61Å; I584-I618 HydrophobicContact CD1-CG1 3.84Å; I584-I618 HydrophobicContact CD1-CG2 3.92Å; I611-I618 HydrophobicContact CG2-CD1 4.06Å; I611-I618 HydrophobicContact CG2-CG1 4.22Å; V613-I618 HydrophobicContact CG2-CD1 4.02Å; V613-I618 HydrophobicContact CG2-CG1 4.16Å
619A93.5Very high93.3Very high0 Ų013.7 Ų13.70%06%0.063CC..EExtended strand (participates in β ladder)trans-133.4138.6-179.600000110.2V561 C562 I611 A612 L1000 L1030 F1032 I1038V561-A619 CarbonylContact O-C 3.45Å; V561-A619 WeakPolarHBondContact O-CA 3.27Å; C562-A619 HydrophobicContact CB-CB 4.45Å; I611-A619 CarbonylContact C-O 3.59Å; A612-A619 PolarHBondContact N-O 2.85Å; A612-A619 PolarHBondContact O-N 3.37Å; A612-A619 VanDerWaalsContact O-O 3.09Å; A619-L1000 HydrophobicContact CB-CD2 4.15Å; A619-L1030 HydrophobicContact CB-CD2 3.77Å; A619-F1032 HydrophobicContact CB-CE2 3.79Å; A619-F1032 HydrophobicContact CB-CZ 3.77Å; A619-I1038 HydrophobicContact CB-CD1 3.61Å
620A94.9Very high93.1Very high0 Ų013.4 Ų13.40%07%0.065CC..EExtended strand (participates in β ladder)trans-140146.5179.800000110.7R560 V561 I584 L588 R610 I611R560-A620 CarbonylContact C-O 3.47Å; R560-A620 VanDerWaalsContact CA-O 3.28Å; R560-A620 WeakPolarHBondContact CA-O 3.48Å; V561-A620 PolarHBondContact N-O 2.8Å; V561-A620 PolarHBondContact O-N 3.3Å; I584-A620 HydrophobicContact CG2-CB 3.63Å; L588-A620 HydrophobicContact CD1-CB 3.98Å; R610-A620 WeakPolarHBondContact O-CA 3.08Å; I611-A620 HydrophobicContact CG1-CB 4.1Å
621I95.1Very high93Very high3 Ų312.8 Ų12.82%0.0156%0.063CC..EExtended strand (participates in β ladder)trans-135.4138.4177.7-167.5-176.6000109.2A559 R610 T623 L1004 Y1028 L1030A559-I621 WeakPolarHBondContact O-CA 2.98Å; A559-I621 VanDerWaalsContact O-CG1 3.31Å; A559-I621 WeakPolarHBondContact O-CG1 3.37Å; R610-I621 HydrophobicContact CB-CG2 3.93Å; R610-I621 HydrophobicContact CG-CG2 4.46Å; R610-I621 PolarHBondContact N-O 2.82Å; R610-I621 PolarHBondContact O-N 3.05Å; I621-T623 HydrophobicContact CD1-CG2 3.66Å; I621-T623 HydrophobicContact CG1-CG2 3.77Å; I621-L1004 HydrophobicContact CD1-CD1 3.75Å; I621-L1004 HydrophobicContact CD1-CD2 3.85Å; I621-L1004 HydrophobicContact CD1-CG 4.5Å; I621-L1004 HydrophobicContact CG1-CD1 4.25Å; I621-Y1028 HydrophobicContact CD1-CD1 4.34Å; I621-Y1028 HydrophobicContact CD1-CG 4.31Å; I621-L1030 HydrophobicContact CG2-CB 4.45Å; I621-L1030 HydrophobicContact CG2-CD2 4.36Å
622A96.3Very high92.9Very high0 Ų012.2 Ų12.20%06%0.06CC..EExtended strand (participates in β ladder)trans-125.5124.7171.800000108.8Q558 A559 L588 L592 L607 R608 Y609Q558-A622 CarbonylContact C-O 3.55Å; Q558-A622 WeakPolarHBondContact CA-O 3.35Å; A559-A622 HydrophobicContact CB-CB 4.43Å; A559-A622 PolarHBondContact N-O 3.44Å; A559-A622 PolarHBondContact O-N 2.85Å; L588-A622 HydrophobicContact CD1-CB 4.46Å; L588-A622 HydrophobicContact CD2-CB 4.08Å; L592-A622 HydrophobicContact CD1-CB 4.1Å; L607-A622 HydrophobicContact CD1-CB 4.33Å; R608-A622 CarbonylContact O-C 3.56Å; R608-A622 VanDerWaalsContact O-CA 3.3Å; R608-A622 WeakPolarHBondContact O-CA 3.27Å; Y609-A622 HydrophobicContact CD1-CB 3.78Å; Y609-A622 HydrophobicContact CE1-CB 3.8Å; Y609-A622 HydrophobicContact CG-CB 4.46Å
623T96.7Very high92.9Very high4 Ų413.5 Ų13.53%0.0257%0.068CC..EExtended strand (participates in β ladder)trans-129.4130.2-171.6620000110.8Q558 L607 R608 I621 Y1028Q558-T623 HydrophobicContact CB-CG2 4.34Å; Q558-T623 HydrophobicContact CG-CG2 3.91Å; L607-T623 WeakPolarHBondContact CA-O 3.45Å; R608-T623 PolarHBondContact N-O 2.89Å; R608-T623 PolarHBondContact O-N 2.95Å; I621-T623 HydrophobicContact CD1-CG2 3.66Å; I621-T623 HydrophobicContact CG1-CG2 3.77Å; T623-Y1028 HydrophobicContact CG2-CD2 3.86Å; T623-Y1028 HydrophobicContact CG2-CG 4.15Å
624G96.4Very high92.8Very high0 Ų014.4 Ų14.40%08%0.075CC..EExtended strand (participates in β ladder)trans-154175.417700000112.7V557 F605V557-G624 PolarHBondContact N-O 3.28Å; V557-G624 PolarHBondContact O-N 2.79Å; V557-G624 VanDerWaalsContact O-O 3.1Å; F605-G624 WeakPolarHBondContact O-CA 3.43Å
625T96.4Very high92.9Very high0 Ų014.4 Ų14.40%07%0.074CC..EExtended strand (participates in β ladder)trans-102.1107.4-179.4-510000109.9F544 P554 A555 L604 F605 T779 T780F544-T625 HydrophobicContact CZ-CG2 3.8Å; P554-T625 HydrophobicContact CB-CG2 3.48Å; P554-T625 VanDerWaalsContact CB-CG2 3.48Å; A555-T625 CarbonylContact O-C 3.57Å; A555-T625 WeakPolarHBondContact O-CA 3.28Å; L604-T625 WeakPolarHBondContact CA-O 3.45Å; F605-T625 PolarHBondContact N-O 3.11Å; F605-T625 PolarHBondContact O-N 3.12Å; T625-T779 HydrophobicContact CG2-CG2 3.81Å; T625-T780 PolarHBondContact N-OG1 2.82Å; T625-T780 PolarHBondContact OG1-N 3.13Å; T625-T780 PolarHBondContact OG1-OG1 3.18Å
626G95.6Very high93Very high0 Ų013.4 Ų13.40%07%0.074CC..EExtended strand (participates in β ladder)trans-74.6137.9175.700000111.8P554 A555 G603P554-G626 WeakPolarHBondContact CA-O 3.18Å; A555-G626 PolarHBondContact N-O 3.37Å; A555-G626 PolarHBondContact O-N 3.27Å; G603-G626 WeakPolarHBondContact O-CA 3.39Å
627V94.5Very high92.8Very high1 Ų111.4 Ų11.41%0.0067%0.073CC..EExtended strand (participates in β ladder)trans-145162-179.6-69.40000111.7F544 I550 P554 M601 N602 G603 F605 I629F544-V627 HydrophobicContact CE1-CB 4.49Å; F544-V627 HydrophobicContact CE1-CG1 3.59Å; F544-V627 HydrophobicContact CE1-CG2 4.1Å; F544-V627 HydrophobicContact CZ-CG1 3.83Å; I550-V627 HydrophobicContact CD1-CG1 4.42Å; I550-V627 HydrophobicContact CD1-CG2 4.36Å; I550-V627 HydrophobicContact CG1-CB 4.49Å; I550-V627 HydrophobicContact CG1-CG2 4.39Å; I550-V627 HydrophobicContact CG2-CB 3.87Å; I550-V627 HydrophobicContact CG2-CG1 3.96Å; P554-V627 HydrophobicContact CB-CG1 4.07Å; M601-V627 WeakPolarHBondContact CB-O 3.41Å; N602-V627 PolarHBondContact N-O 2.91Å; N602-V627 VanDerWaalsContact N-O 3.13Å; G603-V627 PolarHBondContact N-O 2.81Å; G603-V627 PolarHBondContact O-N 3.47Å; F605-V627 HydrophobicContact CD2-CG2 3.72Å; F605-V627 HydrophobicContact CE2-CG2 3.87Å; V627-I629 HydrophobicContact CG2-CG1 4.27Å
628Y94.8Very high92.6Very high17 Ų1710.9 Ų10.97%0.0677%0.071CC..EExtended strand (participates in β ladder)trans-101114.1166.7-167.3-83.9000110.1I550 I551 N600 N602 I676I550-Y628 CarbonylContact C-O 3.47Å; I550-Y628 WeakPolarHBondContact CA-O 3.33Å; I551-Y628 HydrophobicContact CB-CD1 4.1Å; I551-Y628 HydrophobicContact CD1-CD1 4.11Å; I551-Y628 HydrophobicContact CD1-CE1 4.28Å; I551-Y628 HydrophobicContact CG1-CD1 4.39Å; I551-Y628 PolarHBondContact N-O 3.08Å; N600-Y628 WeakPolarHBondContact O-CD2 3.29Å; N602-Y628 WeakPolarHBondContact OD1-CA 3.22Å; Y628-I676 HydrophobicContact CD2-CG2 3.86Å; Y628-I676 HydrophobicContact CE2-CG2 4.3Å; Y628-I676 HydrophobicContact CG-CG2 4.09Å
629I93.3Very high91.9Very high1 Ų116.9 Ų16.91%0.0059%0.094CC..EExtended strand (participates in β ladder)trans-89.6120.3174.7-51.4169.2000108.1L538 L548 N602 F605 V627 A631 L632L538-I629 HydrophobicContact CB-CD1 4.08Å; L538-I629 HydrophobicContact CD2-CD1 3.89Å; L548-I629 HydrophobicContact CD1-CG2 3.75Å; L548-I629 HydrophobicContact CD2-CD1 4.43Å; L548-I629 HydrophobicContact CD2-CG1 4.44Å; L548-I629 HydrophobicContact CG-CG2 4.31Å; N602-I629 PolarHBondContact ND2-O 3.22Å; N602-I629 PolarHBondContact OD1-N 3.46Å; F605-I629 HydrophobicContact CE2-CD1 3.99Å; F605-I629 HydrophobicContact CE2-CG1 4.45Å; F605-I629 HydrophobicContact CZ-CD1 4.3Å; V627-I629 HydrophobicContact CG2-CG1 4.27Å; I629-A631 HydrophobicContact CG2-CB 4.3Å; I629-A631 PolarHBondContact O-N 3.23Å; I629-A631 VanDerWaalsContact O-N 3.11Å; I629-L632 HydrophobicContact CB-CB 4.46Å; I629-L632 HydrophobicContact CB-CD1 4.08Å; I629-L632 HydrophobicContact CD1-CD1 4.13Å; I629-L632 HydrophobicContact CD1-CD2 4.3Å; I629-L632 HydrophobicContact CG2-CD1 3.84Å; I629-L632 PolarHBondContact O-N 2.75Å
630G90.4Very high90.9Very high10 Ų1017.5 Ų17.510%0.10310%0.097CC..THydrogen-bonded Turntrans-66.9-12.4-17500000115.5I528 V549I528-G630 WeakPolarHBondContact CG1-O 3.32Å; V549-G630 PolarHBondContact O-N 3.08Å
631A91.3Very high89.5Confident3 Ų323 Ų233%0.02513%0.125CC..THydrogen-bonded Turntrans-85.8-23.7177.400000113.9C501 C504 C526 A527 I528 I629C501-A631 HydrophobicContact CB-CB 4.07Å; C504-A631 HydrophobicContact CB-CB 3.84Å; C526-A631 WeakPolarHBondContact CA-O 3.33Å; C526-A631 PolarHBondContact SG-O 2.77Å; C526-A631 VanDerWaalsContact SG-O 3.34Å; A527-A631 PolarHBondContact N-O 3.31Å; I528-A631 HydrophobicContact CD1-CB 3.99Å; I629-A631 HydrophobicContact CG2-CB 4.3Å; I629-A631 PolarHBondContact O-N 3.23Å; I629-A631 VanDerWaalsContact O-N 3.11Å
632L92.9Very high87.7Confident0 Ų026.8 Ų26.80%015%0.15CC..SBendtrans-90.9162.8-177.3-88.177.1000110.9C504 P535 L538 N602 I629C504-L632 HydrophobicContact CB-CD1 3.71Å; P535-L632 HydrophobicContact CG-CD2 4.47Å; P535-L632 WeakPolarHBondContact O-CD2 3.37Å; P535-L632 VanDerWaalsContact O-CG 3.31Å; P535-L632 WeakPolarHBondContact O-CG 3.41Å; L538-L632 HydrophobicContact CB-CD2 4.11Å; N602-L632 HydrophobicContact CB-CB 4.33Å; N602-L632 HydrophobicContact CB-CD2 4.44Å; N602-L632 VanDerWaalsContact ND2-CB 3.27Å; N602-L632 WeakPolarHBondContact ND2-CB 3.29Å; I629-L632 HydrophobicContact CB-CB 4.46Å; I629-L632 HydrophobicContact CB-CD1 4.08Å; I629-L632 HydrophobicContact CD1-CD1 4.13Å; I629-L632 HydrophobicContact CD1-CD2 4.3Å; I629-L632 HydrophobicContact CG2-CD1 3.84Å; I629-L632 PolarHBondContact O-N 2.75Å
633P91.5Very high85.8Confident32 Ų3230.3 Ų30.321%0.20818%0.175CC..PPolyproline II helixtrans-68.2157.8175.932.3-39.3000111.5S524 D536 N602S524-P633 WeakPolarHBondContact OG-CD 3.49Å; S524-P633 VanDerWaalsContact OG-CG 3.23Å; S524-P633 WeakPolarHBondContact OG-CG 3.44Å; D536-P633 HydrophobicContact CB-CG 4.15Å; N602-P633 PolarHBondContact ND2-O 2.98Å
634S90.1Very high83.5Confident31 Ų3137.9 Ų37.922%0.21721%0.214CC..PPolyproline II helixtrans-68.8135.5163.9-1520000109N600N600-S634 PolarHBondContact ND2-OG 3.1Å; N600-S634 PolarHBondContact OD1-OG 2.75Å; N600-S634 VanDerWaalsContact OD1-OG 3.1Å
635P90.5Very high81.2Confident8 Ų846.2 Ų46.25%0.05225%0.253CS..PPolyproline II helixtrans-66.3150.1-177.628.5-36.9000111.8R597 Y681R597-P635 HydrophobicContact CG-CB 4.2Å; P635-Y681 PolarHBondContact O-OH 3.29Å
636P87.5Confident78.8Confident54 Ų5447.9 Ų47.935%0.35126%0.264SS..PPolyproline II helixtrans-64.6135.8168.927.4-33.2000110.5Y681P636-Y681 WeakPolarHBondContact CA-OH 3.38Å
637P85.1Confident76.3Confident56 Ų5652.6 Ų52.636%0.36430%0.297SS..PPolyproline II helixtrans-62.7143.3166.629.1-34.7000109.2R639 L667 Y681P637-R639 PolarHBondContact O-N 3.23Å; P637-L667 HydrophobicContact CB-CD1 3.79Å; P637-Y681 WeakPolarHBondContact CD-OH 3.42Å
638P84.4Confident74Confident9 Ų956.9 Ų56.96%0.05833%0.333CS..PPolyproline II helixtrans-57.9131.6-178.7-22.732.8000111.9R597 L598 P758 L763R597-P638 HydrophobicContact CB-CG 4.08Å; L598-P638 HydrophobicContact CD2-CG 4.05Å; L598-P638 HydrophobicContact CG-CG 4.09Å; P638-P758 HydrophobicContact CB-CG 3.8Å; P638-L763 HydrophobicContact CB-CD1 4.32Å; P638-L763 HydrophobicContact CG-CD1 4.49Å
639R78Confident72.2Confident126 Ų12660 Ų6048%0.47535%0.35SS..  trans-92.9109.9-177-62.7-179179.2-172.61.2109.3P637 I641 E757P637-R639 PolarHBondContact O-N 3.23Å; R639-I641 PolarHBondContact O-N 2.68Å; R639-E757 HydrophobicContact CB-CG 4.1Å; R639-E757 PolarHBondContact N-OE2 3.03Å
640I72.2Confident70.5Confident13 Ų1365.1 Ų65.17%0.06738%0.383CS..PPolyproline II helixtrans-66.3118.9167.6-43.9164.7000107.4Y656 L659 R660 I663 I760 L763I640-Y656 HydrophobicContact CB-CD2 4.16Å; I640-Y656 HydrophobicContact CB-CE2 3.49Å; I640-Y656 VanDerWaalsContact CB-CE2 3.49Å; I640-Y656 HydrophobicContact CD1-CD2 4.39Å; I640-Y656 HydrophobicContact CD1-CE2 4.23Å; I640-Y656 HydrophobicContact CG1-CE2 4.48Å; I640-Y656 HydrophobicContact CG2-CD2 3.64Å; I640-Y656 HydrophobicContact CG2-CE2 3.41Å; I640-Y656 VanDerWaalsContact CG2-CE2 3.41Å; I640-Y656 PolarHBondContact O-OH 2.66Å; I640-L659 HydrophobicContact CD1-CB 4.2Å; I640-L659 HydrophobicContact CD1-CD2 3.91Å; I640-L659 HydrophobicContact CD1-CG 3.92Å; I640-L659 HydrophobicContact CG1-CD2 4.32Å; I640-R660 HydrophobicContact CD1-CB 4.16Å; I640-I663 HydrophobicContact CD1-CD1 3.78Å; I640-I663 HydrophobicContact CG1-CD1 3.89Å; I640-I760 HydrophobicContact CG2-CD1 4.27Å; I640-I760 HydrophobicContact CG2-CG1 3.75Å; I640-L763 HydrophobicContact CG1-CD2 3.94Å
641I66.4Low68.9Low115 Ų11570.3 Ų70.359%0.5941%0.405SS*.PPolyproline II helixtrans-89.2120.3174.5-59.1178000108.2R639 S643 E757R639-I641 PolarHBondContact O-N 2.68Å; I641-S643 PolarHBondContact O-N 2.94Å; I641-E757 HydrophobicContact CD1-CB 4.04Å; I641-E757 HydrophobicContact CG1-CB 4.35Å
642P58.3Low67.4Low82 Ų8272.4 Ų72.453%0.53242%0.416SS..PPolyproline II helixtrans-65.5125.6171.8-16.830.4000109.9L644 Y656P642-L644 PolarHBondContact O-N 2.84Å; P642-Y656 HydrophobicContact CG-CE2 3.88Å
643S54.6Low66.2Low75 Ų7580.6 Ų80.652%0.52445%0.447SS..PPolyproline II helixtrans-68.3131174.359.30000109.8I641 Q645 S646I641-S643 PolarHBondContact O-N 2.94Å; S643-Q645 PolarHBondContact O-N 2.93Å; S643-S646 PolarHBondContact O-N 3.35Å; S643-S646 VanDerWaalsContact OG-CB 3.25Å; S643-S646 WeakPolarHBondContact OG-CB 3.35Å
644L49.8Very low65.2Low163 Ų16381.2 Ų81.285%0.85345%0.451SS*.THydrogen-bonded Turntrans-64.1-8.6-171.9-7684000114.2P642P642-L644 PolarHBondContact O-N 2.84Å
645Q46.8Very low64.4Low175 Ų17581.3 Ų81.382%0.81846%0.458SS*.THydrogen-bonded Turntrans-95.3-13.7176.2-65178.5-8.400113.6S643S643-Q645 PolarHBondContact O-N 2.93Å
646S46.5Very low63.6Low34 Ų3483.8 Ų83.824%0.23847%0.466CS..THydrogen-bonded Turntrans-91.6-10.3-174.7171.70000113.7S643 A648 I649 D652S643-S646 PolarHBondContact O-N 3.35Å; S643-S646 VanDerWaalsContact OG-CB 3.25Å; S643-S646 WeakPolarHBondContact OG-CB 3.35Å; S646-A648 PolarHBondContact O-N 3.2Å; S646-I649 PolarHBondContact O-N 3.43Å; S646-D652 WeakPolarHBondContact OG-CB 3.32Å; S646-D652 VanDerWaalsContact OG-CG 3.26Å; S646-D652 PolarHBondContact OG-OD2 3.02Å
647S43.2Very low63.2Low99 Ų9985.2 Ų85.269%0.69247%0.468SS*.THydrogen-bonded Turntrans-63.6-4.6-171.960.90000116.5
648A47.1Very low63Low91 Ų9190 Ų9075%0.75248%0.479SS*.THydrogen-bonded Turntrans-101.6-10.9-176.500000115.1S646S646-A648 PolarHBondContact O-N 3.2Å
649I56.7Low62.9Low83 Ų8390.1 Ų90.143%0.42648%0.479SS..  trans-106.8123.7-173.9-52.9179.8000110.5S646 E651 D652S646-I649 PolarHBondContact O-N 3.43Å; I649-E651 VanDerWaalsContact C-N 3.29Å; I649-E651 HydrophobicContact CG2-CB 4.24Å; I649-E651 PolarHBondContact O-N 3.1Å; I649-D652 PolarHBondContact O-N 2.99Å
650P57.6Low63.2Low109 Ų10990.9 Ų90.971%0.70848%0.482SS*.Hα-helixtrans-62-31.8-180-26.135.5000114.6C654P650-C654 PolarHBondContact O-N 3.25Å
651E56.2Low63.9Low119 Ų11997 Ų9756%0.55650%0.504SS*.Hα-helixtrans-66.8-43.4-178.1-58.2-161.7160.800112.4I649 R653 C654 G655I649-E651 VanDerWaalsContact C-N 3.29Å; I649-E651 HydrophobicContact CG2-CB 4.24Å; I649-E651 PolarHBondContact O-N 3.1Å; E651-R653 VanDerWaalsContact C-N 3.34Å; E651-R653 PolarHBondContact O-N 2.79Å; E651-C654 CarbonylContact O-C 3.59Å; E651-C654 WeakPolarHBondContact O-CA 3.38Å; E651-C654 WeakPolarHBondContact O-CB 3.5Å; E651-C654 PolarHBondContact O-N 2.83Å; E651-C654 VanDerWaalsContact O-N 3.07Å; E651-G655 PolarHBondContact O-N 3Å
652D60.3Low64.9Low47 Ų4797.5 Ų97.525%0.25150%0.499SS..Hα-helixtrans-61-42178.1-72.3-8.1000111.7S646 I649 C654 G655 Y656S646-D652 WeakPolarHBondContact OG-CB 3.32Å; S646-D652 VanDerWaalsContact OG-CG 3.26Å; S646-D652 PolarHBondContact OG-OD2 3.02Å; I649-D652 PolarHBondContact O-N 2.99Å; D652-C654 VanDerWaalsContact C-N 3.29Å; D652-C654 PolarHBondContact O-N 3.18Å; D652-G655 WeakPolarHBondContact O-CA 3.44Å; D652-G655 PolarHBondContact O-N 3.02Å; D652-G655 VanDerWaalsContact O-N 3.12Å; D652-Y656 PolarHBondContact O-N 3.38Å
653R66.7Low66.3Low171 Ų17193.9 Ų93.965%0.64548%0.475SS*.Hα-helixtrans-61-39.3174.8-171.4-177.9-70.9-154.10.7111.3E651 Y656 E657E651-R653 VanDerWaalsContact C-N 3.34Å; E651-R653 PolarHBondContact O-N 2.79Å; R653-Y656 PolarHBondContact O-N 3.09Å; R653-E657 PolarHBondContact O-N 2.93Å
654C71.7Confident68Low45 Ų4594.3 Ų94.330%0.30447%0.471SS..Hα-helixtrans-67.1-38.4174.3-162.90000112P650 E651 D652 E657 R658P650-C654 PolarHBondContact O-N 3.25Å; E651-C654 CarbonylContact O-C 3.59Å; E651-C654 WeakPolarHBondContact O-CA 3.38Å; E651-C654 WeakPolarHBondContact O-CB 3.5Å; E651-C654 PolarHBondContact O-N 2.83Å; E651-C654 VanDerWaalsContact O-N 3.07Å; D652-C654 VanDerWaalsContact C-N 3.29Å; D652-C654 PolarHBondContact O-N 3.18Å; C654-E657 PolarHBondContact O-N 3.44Å; C654-R658 WeakPolarHBondContact O-CG 3.38Å; C654-R658 PolarHBondContact O-N 3.09Å; C654-R658 PolarHBondContact SG-NE 2.9Å; C654-R658 PolarHBondContact SG-NH2 3.48Å
655G73.1Confident70Confident34 Ų3491.6 Ų91.635%0.35146%0.458SS..Hα-helixtrans-59.4-49.9172.800000112.5E651 D652 E657 R658 L659E651-G655 PolarHBondContact O-N 3Å; D652-G655 WeakPolarHBondContact O-CA 3.44Å; D652-G655 PolarHBondContact O-N 3.02Å; D652-G655 VanDerWaalsContact O-N 3.12Å; G655-E657 PolarHBondContact O-N 3.17Å; G655-R658 PolarHBondContact O-N 3.32Å; G655-L659 PolarHBondContact O-N 3.06Å
656Y74.3Confident72.1Confident60 Ų6084.3 Ų84.324%0.23542%0.423CS..Hα-helixtrans-56.1-47.7175.5-178.2-79.6000111.9I640 P642 D652 R653 R658 L659 R660I640-Y656 HydrophobicContact CB-CD2 4.16Å; I640-Y656 HydrophobicContact CB-CE2 3.49Å; I640-Y656 VanDerWaalsContact CB-CE2 3.49Å; I640-Y656 HydrophobicContact CD1-CD2 4.39Å; I640-Y656 HydrophobicContact CD1-CE2 4.23Å; I640-Y656 HydrophobicContact CG1-CE2 4.48Å; I640-Y656 HydrophobicContact CG2-CD2 3.64Å; I640-Y656 HydrophobicContact CG2-CE2 3.41Å; I640-Y656 VanDerWaalsContact CG2-CE2 3.41Å; I640-Y656 PolarHBondContact O-OH 2.66Å; P642-Y656 HydrophobicContact CG-CE2 3.88Å; D652-Y656 PolarHBondContact O-N 3.38Å; R653-Y656 PolarHBondContact O-N 3.09Å; Y656-R658 PolarHBondContact O-N 2.81Å; Y656-L659 PolarHBondContact O-N 3.29Å; Y656-R660 WeakPolarHBondContact O-CB 3.49Å; Y656-R660 PolarHBondContact O-N 2.72Å
657E77.7Confident74.2Confident84 Ų8483.2 Ų83.239%0.39341%0.414SS..Hα-helixtrans-64.1-39.3177.4-79.3-173-148.800113.5R653 C654 G655 R660 R661R653-E657 PolarHBondContact O-N 2.93Å; C654-E657 PolarHBondContact O-N 3.44Å; G655-E657 PolarHBondContact O-N 3.17Å; E657-R660 PolarHBondContact O-N 3Å; E657-R661 WeakPolarHBondContact O-CG 3.47Å; E657-R661 PolarHBondContact O-N 2.97Å; E657-R661 IonicContact OE2-CZ 2.84Å; E657-R661 IonicContact OE2-NH2 3.32Å; E657-R661 PolarHBondContact OE2-NH2 3.32Å
658R81.8Confident76.5Confident155 Ų15584.2 Ų84.259%0.58541%0.406SS*.Hα-helixtrans-64.5-40.9175.6-70.7168.6-164.6-174.96.4111C654 G655 Y656 R662C654-R658 WeakPolarHBondContact O-CG 3.38Å; C654-R658 PolarHBondContact O-N 3.09Å; C654-R658 PolarHBondContact SG-NE 2.9Å; C654-R658 PolarHBondContact SG-NH2 3.48Å; G655-R658 PolarHBondContact O-N 3.32Å; Y656-R658 PolarHBondContact O-N 2.81Å; R658-R662 WeakPolarHBondContact O-CG 3.17Å; R658-R662 PolarHBondContact O-N 2.93Å; R658-R662 VanDerWaalsContact O-N 3.08Å
659L81.5Confident78.6Confident13 Ų1385.5 Ų85.57%0.06840%0.395CS..Hα-helixtrans-65.7-46.2175.8-177.360.5000110.9I640 G655 Y656 R661 R662 I663 I760 L763 L767I640-L659 HydrophobicContact CD1-CB 4.2Å; I640-L659 HydrophobicContact CD1-CD2 3.91Å; I640-L659 HydrophobicContact CD1-CG 3.92Å; I640-L659 HydrophobicContact CG1-CD2 4.32Å; G655-L659 PolarHBondContact O-N 3.06Å; Y656-L659 PolarHBondContact O-N 3.29Å; L659-R661 PolarHBondContact O-N 2.77Å; L659-R662 WeakPolarHBondContact O-CA 3.09Å; L659-R662 WeakPolarHBondContact O-CB 3.49Å; L659-R662 PolarHBondContact O-N 3.38Å; L659-R662 VanDerWaalsContact O-N 3.11Å; L659-I663 HydrophobicContact CG-CD1 4.39Å; L659-I663 WeakPolarHBondContact O-CG1 3.45Å; L659-I663 PolarHBondContact O-N 3Å; L659-I760 HydrophobicContact CD2-CB 4.21Å; L659-I760 HydrophobicContact CD2-CG1 4.05Å; L659-I760 HydrophobicContact CD2-CG2 4.04Å; L659-L763 HydrophobicContact CD2-CB 4.47Å; L659-L763 HydrophobicContact CD2-CD2 4.26Å; L659-L767 HydrophobicContact CD1-CD1 3.7Å
660R84.1Confident80.3Confident142 Ų14281.6 Ų81.654%0.53638%0.375SS..Hα-helixtrans-57.1-49.2177.2-172.3173.6-179.9169.84.3112.1I640 Y656 E657 R662 I663 D664I640-R660 HydrophobicContact CD1-CB 4.16Å; Y656-R660 WeakPolarHBondContact O-CB 3.49Å; Y656-R660 PolarHBondContact O-N 2.72Å; E657-R660 PolarHBondContact O-N 3Å; R660-R662 VanDerWaalsContact C-N 3.32Å; R660-R662 PolarHBondContact O-N 3.11Å; R660-I663 WeakPolarHBondContact O-CB 3.47Å; R660-I663 PolarHBondContact O-N 2.89Å; R660-D664 PolarHBondContact O-N 3.49Å
661R86.9Confident81.9Confident140 Ų14079.4 Ų79.453%0.52835%0.352SS..Hα-helixtrans-57.4-42.7174.3-70.9177.8-126.2177.7-3.1112E657 L659 I663 D664 D665E657-R661 WeakPolarHBondContact O-CG 3.47Å; E657-R661 PolarHBondContact O-N 2.97Å; E657-R661 IonicContact OE2-CZ 2.84Å; E657-R661 IonicContact OE2-NH2 3.32Å; E657-R661 PolarHBondContact OE2-NH2 3.32Å; L659-R661 PolarHBondContact O-N 2.77Å; R661-I663 VanDerWaalsContact C-N 3.31Å; R661-I663 PolarHBondContact O-N 2.72Å; R661-D664 PolarHBondContact O-N 2.91Å; R661-D665 WeakPolarHBondContact O-CB 3.42Å; R661-D665 PolarHBondContact O-N 2.86Å
662R88.2Confident83.5Confident127 Ų12780.2 Ų80.248%0.47936%0.356SS..Hα-helixtrans-61.4-33.9174.1-77.3-179.665.3-173.1-2.4113.4R658 L659 R660 Y666 L767R658-R662 WeakPolarHBondContact O-CG 3.17Å; R658-R662 PolarHBondContact O-N 2.93Å; R658-R662 VanDerWaalsContact O-N 3.08Å; L659-R662 WeakPolarHBondContact O-CA 3.09Å; L659-R662 WeakPolarHBondContact O-CB 3.49Å; L659-R662 PolarHBondContact O-N 3.38Å; L659-R662 VanDerWaalsContact O-N 3.11Å; R660-R662 VanDerWaalsContact C-N 3.32Å; R660-R662 PolarHBondContact O-N 3.11Å; R662-Y666 WeakPolarHBondContact O-CB 3.42Å; R662-Y666 PolarHBondContact O-N 2.87Å; R662-Y666 VanDerWaalsContact O-N 3.08Å; R662-L767 HydrophobicContact CB-CD1 4.38Å
663I88Confident84.9Confident6 Ų679.5 Ų79.53%0.03135%0.352CS..Hα-helixtrans-69.1-48.7173.8-59.9160.1000110L598 I640 L659 R660 R661 D665 Y666 L667 L763 L767L598-I663 HydrophobicContact CD2-CG2 4.18Å; I640-I663 HydrophobicContact CD1-CD1 3.78Å; I640-I663 HydrophobicContact CG1-CD1 3.89Å; L659-I663 HydrophobicContact CG-CD1 4.39Å; L659-I663 WeakPolarHBondContact O-CG1 3.45Å; L659-I663 PolarHBondContact O-N 3Å; R660-I663 WeakPolarHBondContact O-CB 3.47Å; R660-I663 PolarHBondContact O-N 2.89Å; R661-I663 VanDerWaalsContact C-N 3.31Å; R661-I663 PolarHBondContact O-N 2.72Å; I663-D665 PolarHBondContact O-N 3.47Å; I663-Y666 PolarHBondContact O-N 2.8Å; I663-Y666 VanDerWaalsContact O-N 3.15Å; I663-L667 HydrophobicContact CG2-CD1 3.76Å; I663-L667 HydrophobicContact CG2-CG 4.19Å; I663-L667 WeakPolarHBondContact O-CB 3.31Å; I663-L667 WeakPolarHBondContact O-CG 3.48Å; I663-L667 PolarHBondContact O-N 3.46Å; I663-L763 HydrophobicContact CD1-CD2 3.46Å; I663-L763 VanDerWaalsContact CD1-CD2 3.46Å; I663-L763 HydrophobicContact CD1-CG 4.29Å; I663-L763 HydrophobicContact CG1-CD2 4.13Å; I663-L763 HydrophobicContact CG1-CG 4.46Å; I663-L767 HydrophobicContact CG1-CD1 4.06Å
664D89.5Confident86Confident84 Ų8471.4 Ų71.445%0.44932%0.322SS..Hα-helixtrans-62.1-42.9-178-66.2-39000111.5R660 R661 K668R660-D664 PolarHBondContact O-N 3.49Å; R661-D664 PolarHBondContact O-N 2.91Å; D664-K668 WeakPolarHBondContact O-CB 3.33Å; D664-K668 PolarHBondContact O-N 2.88Å
665D91.3Very high86.8Confident106 Ų10674 Ų7457%0.56733%0.325SS*.Hα-helixtrans-62.9-41.3172.6-74.5-34.3000112.3R661 I663 K668 K669R661-D665 WeakPolarHBondContact O-CB 3.42Å; R661-D665 PolarHBondContact O-N 2.86Å; I663-D665 PolarHBondContact O-N 3.47Å; D665-K668 PolarHBondContact O-N 2.93Å; D665-K669 WeakPolarHBondContact O-CB 3.4Å; D665-K669 PolarHBondContact O-N 3.05Å
666Y91.8Very high87.5Confident22 Ų2272.7 Ų72.79%0.08631%0.31CS..Hα-helixtrans-66.8-44.5178.6-165.9-81.9000111.4L598 R599 R662 I663 K669 S670 L767 D769 F771L598-Y666 HydrophobicContact CB-CD1 4.47Å; L598-Y666 HydrophobicContact CB-CE1 4.26Å; L598-Y666 WeakPolarHBondContact O-CD1 3.48Å; R599-Y666 PolarHBondContact NH1-OH 3.33Å; R599-Y666 PolarHBondContact NH2-OH 3.09Å; R662-Y666 WeakPolarHBondContact O-CB 3.42Å; R662-Y666 PolarHBondContact O-N 2.87Å; R662-Y666 VanDerWaalsContact O-N 3.08Å; I663-Y666 PolarHBondContact O-N 2.8Å; I663-Y666 VanDerWaalsContact O-N 3.15Å; Y666-K669 PolarHBondContact O-N 3.09Å; Y666-S670 VanDerWaalsContact O-CB 3.29Å; Y666-S670 WeakPolarHBondContact O-CB 3.38Å; Y666-S670 PolarHBondContact O-N 3.17Å; Y666-L767 HydrophobicContact CD1-CD2 4.11Å; Y666-L767 HydrophobicContact CD2-CD2 3.64Å; Y666-L767 HydrophobicContact CE2-CD2 4.18Å; Y666-L767 HydrophobicContact CG-CD2 3.6Å; Y666-D769 PolarHBondContact OH-O 2.95Å; Y666-D769 VanDerWaalsContact OH-O 3.04Å; Y666-F771 HydrophobicContact CD1-CE1 4.46Å; Y666-F771 HydrophobicContact CD1-CE2 4.29Å; Y666-F771 AromaticContact CD1-CZ 3.62Å; Y666-F771 HydrophobicContact CD1-CZ 3.62Å; Y666-F771 AromaticContact CD2-CE2 3.66Å; Y666-F771 HydrophobicContact CD2-CE2 3.66Å; Y666-F771 AromaticContact CD2-CZ 3.86Å; Y666-F771 HydrophobicContact CD2-CZ 3.86Å; Y666-F771 AromaticContact CE1-CE1 3.93Å; Y666-F771 HydrophobicContact CE1-CE1 3.93Å; Y666-F771 HydrophobicContact CE1-CE2 4.12Å; Y666-F771 AromaticContact CE1-CZ 3.42Å; Y666-F771 HydrophobicContact CE1-CZ 3.42Å; Y666-F771 VanDerWaalsContact CE1-CZ 3.42Å; Y666-F771 HydrophobicContact CE2-CD2 4.27Å; Y666-F771 AromaticContact CE2-CE2 3.47Å; Y666-F771 HydrophobicContact CE2-CE2 3.47Å; Y666-F771 VanDerWaalsContact CE2-CE2 3.47Å; Y666-F771 AromaticContact CE2-CZ 3.69Å; Y666-F771 HydrophobicContact CE2-CZ 3.69Å; Y666-F771 HydrophobicContact CG-CE2 4.07Å; Y666-F771 AromaticContact CG-CZ 3.83Å; Y666-F771 HydrophobicContact CG-CZ 3.83Å; Y666-F771 AromaticContact CZ-CE2 3.72Å; Y666-F771 AromaticContact CZ-CZ 3.46Å; Y666-F771 VanDerWaalsContact CZ-CZ 3.46Å
667L90.8Very high87.8Confident11 Ų1172.7 Ų72.76%0.05832%0.317CS..Hα-helixtrans-62.4-43.7175.7-74.8171.7000111.3R597 P637 I663 S670 R671R597-L667 WeakPolarHBondContact O-CD2 3.46Å; P637-L667 HydrophobicContact CB-CD1 3.79Å; I663-L667 HydrophobicContact CG2-CD1 3.76Å; I663-L667 HydrophobicContact CG2-CG 4.19Å; I663-L667 WeakPolarHBondContact O-CB 3.31Å; I663-L667 WeakPolarHBondContact O-CG 3.48Å; I663-L667 PolarHBondContact O-N 3.46Å; L667-S670 WeakPolarHBondContact O-CB 3.46Å; L667-S670 PolarHBondContact O-N 2.9Å; L667-R671 WeakPolarHBondContact O-CG 3.48Å; L667-R671 PolarHBondContact O-N 3.5Å
668K91.6Very high87.4Confident120 Ų12074.2 Ų74.252%0.52233%0.328SS..Hα-helixtrans-60.5-49.1175.4-176.4178.2-179.4-1800111.5D664 D665 S670 R671 Q672D664-K668 WeakPolarHBondContact O-CB 3.33Å; D664-K668 PolarHBondContact O-N 2.88Å; D665-K668 PolarHBondContact O-N 2.93Å; K668-S670 VanDerWaalsContact C-N 3.3Å; K668-S670 PolarHBondContact O-N 2.81Å; K668-R671 PolarHBondContact O-N 2.95Å; K668-Q672 WeakPolarHBondContact O-CG 3.34Å; K668-Q672 PolarHBondContact O-N 3.42Å; K668-Q672 VanDerWaalsContact O-N 3.11Å
669K91.8Very high86.3Confident118 Ų11872.5 Ų72.551%0.51333%0.328SS..Hα-helixtrans-62.6-36.7176.2-177.2167.6-179.5169.80112.3D665 Y666 L673 F771D665-K669 WeakPolarHBondContact O-CB 3.4Å; D665-K669 PolarHBondContact O-N 3.05Å; Y666-K669 PolarHBondContact O-N 3.09Å; K669-L673 WeakPolarHBondContact O-CB 3.47Å; K669-L673 PolarHBondContact O-N 3.18Å; K669-F771 HydrophobicContact CB-CE2 4.34Å; K669-F771 HydrophobicContact CB-CZ 4.41Å; K669-F771 HydrophobicContact CD-CD2 4.02Å; K669-F771 HydrophobicContact CD-CE2 3.9Å; K669-F771 HydrophobicContact CG-CD2 4.35Å; K669-F771 HydrophobicContact CG-CE2 4.02Å; K669-F771 HydrophobicContact CG-CZ 4.33Å
670S92Very high84.4Confident0 Ų079.3 Ų79.30%037%0.365CS..Hα-helixtrans-63.9-51.5175.7-166.10000111.4R599 Y666 L667 K668 Q672 L673 Y674R599-S670 VanDerWaalsContact CA-OG 3.28Å; R599-S670 WeakPolarHBondContact CA-OG 3.37Å; R599-S670 PolarHBondContact O-OG 2.76Å; Y666-S670 VanDerWaalsContact O-CB 3.29Å; Y666-S670 WeakPolarHBondContact O-CB 3.38Å; Y666-S670 PolarHBondContact O-N 3.17Å; L667-S670 WeakPolarHBondContact O-CB 3.46Å; L667-S670 PolarHBondContact O-N 2.9Å; K668-S670 VanDerWaalsContact C-N 3.3Å; K668-S670 PolarHBondContact O-N 2.81Å; S670-Q672 VanDerWaalsContact C-N 3.27Å; S670-Q672 PolarHBondContact O-N 3.31Å; S670-L673 PolarHBondContact O-N 3.46Å; S670-Y674 WeakPolarHBondContact O-CB 3.31Å; S670-Y674 VanDerWaalsContact O-CD2 3.22Å; S670-Y674 WeakPolarHBondContact O-CD2 3.1Å; S670-Y674 PolarHBondContact O-N 3.34Å; S670-Y674 WeakPolarHBondContact OG-CD2 3.21Å
671R90.3Very high82.3Confident64 Ų6479.1 Ų79.124%0.24237%0.365CS..Hα-helixtrans-59.7-37.8179-69.3-161.6-57.7-84.111.1112.4N600 L667 K668 R675 I676 D678N600-R671 HydrophobicContact CB-CG 4.14Å; L667-R671 WeakPolarHBondContact O-CG 3.48Å; L667-R671 PolarHBondContact O-N 3.5Å; K668-R671 PolarHBondContact O-N 2.95Å; R671-R675 WeakPolarHBondContact O-CA 3.48Å; R671-R675 PolarHBondContact O-N 2.8Å; R671-I676 HydrophobicContact CG-CB 4.37Å; R671-I676 PolarHBondContact O-N 2.96Å; R671-D678 IonicContact CZ-OD1 3.06Å; R671-D678 IonicContact NE-OD1 2.71Å; R671-D678 PolarHBondContact NE-OD1 2.93Å; R671-D678 IonicContact NH2-OD1 3.82Å; R671-D678 PolarHBondContact NH2-OD1 2.89Å
672Q90.5Very high79.6Confident135 Ų13579.6 Ų79.663%0.63137%0.373SS*.Hα-helixtrans-64.3-54.9173.1-71176.6-3300112.6K668 S670 Y674 R675K668-Q672 WeakPolarHBondContact O-CG 3.34Å; K668-Q672 PolarHBondContact O-N 3.42Å; K668-Q672 VanDerWaalsContact O-N 3.11Å; S670-Q672 VanDerWaalsContact C-N 3.27Å; S670-Q672 PolarHBondContact O-N 3.31Å; Q672-Y674 VanDerWaalsContact C-N 3.33Å; Q672-Y674 PolarHBondContact O-N 3.43Å; Q672-R675 PolarHBondContact O-N 3.02Å
673L89.6Confident76.6Confident32 Ų3277.8 Ų77.817%0.16838%0.38CS..Hα-helixtrans-62.3-39.5-176.9-179.763.6000112.8N553 K669 S670 F771 Q772 Q774N553-L673 PolarHBondContact ND2-O 3.37Å; K669-L673 WeakPolarHBondContact O-CB 3.47Å; K669-L673 PolarHBondContact O-N 3.18Å; S670-L673 PolarHBondContact O-N 3.46Å; L673-F771 HydrophobicContact CD2-CB 3.77Å; L673-F771 HydrophobicContact CD2-CD1 3.68Å; L673-F771 HydrophobicContact CD2-CG 4.01Å; L673-Q772 HydrophobicContact CD2-CG 4.38Å; L673-Q774 HydrophobicContact CD1-CB 4.23Å
674Y90Very high73.6Confident2 Ų284.1 Ų84.11%0.00841%0.414CS..THydrogen-bonded Turntrans-958.8-178.8-58.9-67.4000113.5G552 N553 A555 R599 M601 S670 Q672 I676 F771 Q772G552-Y674 CarbonylContact C-O 3.53Å; G552-Y674 WeakPolarHBondContact CA-O 3.39Å; N553-Y674 HydrophobicContact CB-CD1 4.45Å; N553-Y674 PolarHBondContact N-O 3.38Å; A555-Y674 HydrophobicContact CB-CD1 3.91Å; A555-Y674 HydrophobicContact CB-CE1 3.35Å; A555-Y674 HydrophobicContact CB-CE2 4.2Å; R599-Y674 VanDerWaalsContact CD-CE2 3.44Å; M601-Y674 HydrophobicContact CE-CD1 4Å; M601-Y674 HydrophobicContact CE-CD2 4.33Å; M601-Y674 HydrophobicContact CE-CG 3.79Å; S670-Y674 WeakPolarHBondContact O-CB 3.31Å; S670-Y674 VanDerWaalsContact O-CD2 3.22Å; S670-Y674 WeakPolarHBondContact O-CD2 3.1Å; S670-Y674 PolarHBondContact O-N 3.34Å; S670-Y674 WeakPolarHBondContact OG-CD2 3.21Å; Q672-Y674 VanDerWaalsContact C-N 3.33Å; Q672-Y674 PolarHBondContact O-N 3.43Å; Y674-I676 VanDerWaalsContact C-N 3.25Å; Y674-I676 PolarHBondContact O-N 3.45Å; Y674-F771 AromaticContact CE2-CD1 3.99Å; Y674-F771 HydrophobicContact CE2-CD1 3.99Å; Y674-F771 HydrophobicContact CE2-CE1 4.06Å; Y674-Q772 HydrophobicContact CE1-CG 4.48Å; Y674-Q772 PolarHBondContact OH-OE1 2.77Å
675R88.6Confident70.7Confident98 Ų9885.6 Ų85.637%0.3742%0.421SS..THydrogen-bonded Turntrans50.441177-62.3179.9170.5-166-9113.7G552 R671 Q672 S791G552-R675 WeakPolarHBondContact CA-O 3.42Å; R671-R675 WeakPolarHBondContact O-CA 3.48Å; R671-R675 PolarHBondContact O-N 2.8Å; Q672-R675 PolarHBondContact O-N 3.02Å; R675-S791 PolarHBondContact NH1-O 2.78Å; R675-S791 PolarHBondContact NH1-OG 2.85Å; R675-S791 PolarHBondContact NH2-O 2.96Å
676I86.8Confident67.6Low8 Ų885.5 Ų85.54%0.04142%0.424CS..  trans-92.7122.6179.7-53.6179.6000108.6N600 M601 Y628 R671 Y674N600-I676 WeakPolarHBondContact O-CD1 3.45Å; M601-I676 HydrophobicContact CE-CD1 4.02Å; M601-I676 HydrophobicContact CG-CD1 3.86Å; Y628-I676 HydrophobicContact CD2-CG2 3.86Å; Y628-I676 HydrophobicContact CE2-CG2 4.3Å; Y628-I676 HydrophobicContact CG-CG2 4.09Å; R671-I676 HydrophobicContact CG-CB 4.37Å; R671-I676 PolarHBondContact O-N 2.96Å; Y674-I676 VanDerWaalsContact C-N 3.25Å; Y674-I676 PolarHBondContact O-N 3.45Å
677P80.3Confident64.5Low59 Ų5993.4 Ų93.438%0.38346%0.459SS..  trans-57.7143.1-178.4-26.734.9000113.9I551 M679I551-P677 HydrophobicContact CG2-CG 4.03Å; P677-M679 HydrophobicContact CB-CE 4.08Å; P677-M679 PolarHBondContact O-N 3.11Å
678D69.2Low61.4Low116 Ų116101.2 Ų101.262%0.6250%0.495SS*.  trans-68.696.5162.6-78.6-52000108.8R671R671-D678 IonicContact CZ-OD1 3.06Å; R671-D678 IonicContact NE-OD1 2.71Å; R671-D678 PolarHBondContact NE-OD1 2.93Å; R671-D678 IonicContact NH2-OD1 3.82Å; R671-D678 PolarHBondContact NH2-OD1 2.89Å
679M58.8Low58.3Low120 Ų120101.9 Ų101.959%0.59150%0.504SS*.  trans-87.6119.8168.2-71.1-71.495.600109.4P677 Y681P677-M679 HydrophobicContact CB-CE 4.08Å; P677-M679 PolarHBondContact O-N 3.11Å; M679-Y681 PolarHBondContact O-N 3.09Å
680D41.8Very low55Low156 Ų156103.7 Ų103.783%0.83451%0.512SS*.  trans-54.8126.7179.4-74.8-47.2000111.5Q682D680-Q682 VanDerWaalsContact C-N 3.3Å; D680-Q682 PolarHBondContact O-N 3.13Å
681Y40.2Very low51.8Low137 Ų137113.4 Ų113.454%0.53756%0.555SS.*  trans-69.384.6174.5-111-99000110.1P635 P636 P637 M679 S683P635-Y681 PolarHBondContact O-OH 3.29Å; P636-Y681 WeakPolarHBondContact CA-OH 3.38Å; P637-Y681 WeakPolarHBondContact CD-OH 3.42Å; M679-Y681 PolarHBondContact O-N 3.09Å; Y681-S683 PolarHBondContact O-N 3.02Å
682Q30Very low48.7Very low151 Ų151119.3 Ų119.371%0.70659%0.585SS**  trans-60.4114.5169.9-74.3-160.7-33.200109.2D680 N684D680-Q682 VanDerWaalsContact C-N 3.3Å; D680-Q682 PolarHBondContact O-N 3.13Å; Q682-N684 PolarHBondContact O-N 3.38Å
683S25.9Very low45.6Very low88 Ų88120.7 Ų120.762%0.61560%0.595SS**  trans-77.452.7-162.4450000114.4Y681 L685 T686Y681-S683 PolarHBondContact O-N 3.02Å; S683-L685 PolarHBondContact O-N 3.05Å; S683-L685 VanDerWaalsContact O-N 3.13Å; S683-T686 PolarHBondContact O-OG1 2.88Å
684N25.7Very low42.5Very low140 Ų140125.7 Ų125.775%0.74962%0.622SS**  trans-69.3-4177.4-71.7-31.2000114.1Q682 T686Q682-N684 PolarHBondContact O-N 3.38Å; N684-T686 PolarHBondContact O-N 2.74Å
685L28.2Very low39.4Very low115 Ų115131.7 Ų131.760%0.60266%0.659SS**  trans-74.150.3160.6-89.8145.4000111.5S683S683-L685 PolarHBondContact O-N 3.05Å; S683-L685 VanDerWaalsContact O-N 3.13Å
686T25.4Very low36.3Very low103 Ų103135.5 Ų135.563%0.63268%0.683SS**SBendtrans-141.549176.650.60000112.4S683 N684S683-T686 PolarHBondContact O-OG1 2.88Å; N684-T686 PolarHBondContact O-N 2.74Å
687K27Very low33.5Very low188 Ų188142.2 Ų142.282%0.81772%0.719SS**SBendtrans-157.1-8.2166.9-119.3153.7-168.6172.70120.6
688H26.6Very low30.8Very low175 Ų175147 Ų14781%0.8174%0.741SS**SBendtrans-121.6-31.5177.7-94.9-79.4000115.6K690H688-K690 PolarHBondContact O-N 3Å
689D25.2Very low28.8Very low135 Ų135150.9 Ų150.972%0.72275%0.753SS**SBendtrans-8743.8176-55.3-29.9000112.6
690K23.3Very low27.1Very low155 Ų155155 Ų15567%0.67476%0.763SS**  trans-131.655.8174.9-110.8-155.8168.2-1060111.5H688 D694H688-K690 PolarHBondContact O-N 3Å; K690-D694 IonicContact NZ-OD2 3.24Å; K690-D694 PolarHBondContact NZ-OD2 2.92Å
691F24.6Very low26.4Very low205 Ų205158.2 Ų158.290%0.89977%0.765SS**SBendtrans-143.450.2173.7-107-71.3000112.9
692E24.7Very low25.6Very low187 Ų187157.6 Ų157.687%0.87478%0.776SS**SBendtrans-166.4160.7146.8-111.2165.4-157.400109.9
693I26.6Very low25.4Very low165 Ų165157.9 Ų157.985%0.84678%0.781SS**  trans61.767.2-175.6-38.8176.7000114.3
694D22.8Very low25.2Very low136 Ų136160.5 Ų160.573%0.72779%0.788SS**  trans-139.463.7161.4-110.3-36.3000110.2K690K690-D694 IonicContact NZ-OD2 3.24Å; K690-D694 PolarHBondContact NZ-OD2 2.92Å
695T25.4Very low25.1Very low129 Ų129160.8 Ų160.879%0.79179%0.789SS**  trans-149.6124.9165.830.80000111.1
696M25Very low25.1Very low177 Ų177161.2 Ų161.287%0.87280%0.801SS**SBendtrans63.1114.8-179.7-54.1-171-170.500114.4
697N27.9Very low25Very low150 Ų150162.1 Ų162.180%0.80281%0.806SS**  cis-149.9139.514.1-80.5-53.8000112.1
698D23.1Very low24.9Very low158 Ų158160.4 Ų160.485%0.84581%0.806SS**  trans-70.2126.4157.6-85.1-56.3000111.2
699K25.8Very low25Very low198 Ų198160.4 Ų160.486%0.86181%0.806SS**  trans-168.1127.6142.1-104.2144.8-169.2171.60112.3
700Y23.7Very low25Very low206 Ų206162 Ų16281%0.80881%0.813SS**  trans-29.1142.2161.5-63.4-99.1000113.5
701Y26.7Very low25Very low224 Ų224162.1 Ų162.188%0.87882%0.816SS**  -155.1166.975.1-96.8-77.3000115.2
702T24.9Very low24.9Very low125 Ų125161.3 Ų161.377%0.76781%0.813SS**  trans-81.1159.5-179.4440000113.9
703I25.2Very low25.1Very low157 Ų157159.2 Ų159.281%0.80581%0.806SS**  trans-66.4130170.9-62.3165000110
704D22.6Very low24.9Very low142 Ų142159.6 Ų159.676%0.75980%0.804SS**  trans-172159.7132.7-102.5-26000112.1
705N23.3Very low24.9Very low146 Ų146159.8 Ų159.878%0.78181%0.805SS**  trans58.1102.6172.5-65.7-39.3000118.7
706C26.9Very low25Very low125 Ų125162.9 Ų162.985%0.84581%0.811SS**  trans-15547.6145-144.30000114.2
707T24.7Very low24.9Very low122 Ų122163.9 Ų163.975%0.74881%0.811SS**  trans-72.9149.615028.70000109
708N24.8Very low24.6Very low151 Ų151161.1 Ų161.181%0.80780%0.803SS**  trans77.573.4-175.8-48.9-29.1000116.7
709H28.2Very low24.8Very low175 Ų175161.7 Ų161.781%0.8180%0.801SS**  trans-150.992.8132.3-124.2-78.9000110.8
710L24.3Very low24.8Very low168 Ų168159.2 Ų159.288%0.8880%0.796SS**  trans-132.360.5-179.1-142.5-178.7000110
711Q23.4Very low24.7Very low158 Ų158155.7 Ų155.774%0.73879%0.791SS**  trans-173.3156.2169.7-108162.411.800109.6
712F23.8Very low24.6Very low188 Ų188151 Ų15183%0.82578%0.78SS**  trans65.2119-173.5-66.8-85000113.5
713I28.8Very low24.6Very low143 Ų143151.7 Ų151.773%0.73378%0.779SS**  cis-142.8147.219.8-88.2137000111.3N715I713-N715 WeakPolarHBondContact CG2-O 3.49Å
714E21.1Very low24.7Very low173 Ų173150 Ų15081%0.80878%0.781SS**  trans-107.9149.8159.3-67.6-179.1125.400109.6
715N24.4Very low24.7Very low140 Ų140151.2 Ų151.275%0.74979%0.788SS**  trans72.3150.8179.7-42.3-66.9000114.3I713I713-N715 WeakPolarHBondContact CG2-O 3.49Å
716E26.7Very low24.8Very low195 Ų195148 Ų14891%0.91178%0.782SS**  cis-117.3-176.510.5-80.2-165.7115.200114.9
717F22.6Very low24.8Very low198 Ų198148.9 Ų148.987%0.86878%0.783SS**  trans-112.4146.4-166.7-127-101.4000113
718S22.3Very low24.9Very low92 Ų92151 Ų15164%0.64379%0.789SS**  trans53.1123.1151.461.40000121.7
719Q27.2Very low24.8Very low170 Ų170151.5 Ų151.579%0.79479%0.791SS**  -174.4129.2108.8-96.7174.94300109.3
720L24.4Very low24.7Very low145 Ų145150.9 Ų150.976%0.75979%0.794SS**  60.9129.398.5-63.1-175.7000114.1
721D22.6Very low24.8Very low132 Ų132150.7 Ų150.771%0.70679%0.792SS**  cis-168.5-176.2-1.4-150.7-14.4000112.3
722I25.2Very low24.9Very low127 Ų127153.2 Ų153.265%0.65180%0.801SS**  trans82.1104.9148.5-72.2160.5000120.2
723N23.6Very low24.8Very low139 Ų139153.2 Ų153.274%0.74380%0.804SS**  trans55.2117.8134.5-58.4-19.4000122.9
724S28Very low24.6Very low121 Ų121151.2 Ų151.285%0.84680%0.802SS**  trans-146.984.2133.139.90000112A726S724-A726 PolarHBondContact O-N 2.84Å
725N22.9Very low24.7Very low168 Ų168149.1 Ų149.190%0.89880%0.801SS**  trans-78.6102.8172-91.9-26.9000110.7
726A25.1Very low24.8Very low79 Ų79150.3 Ų150.365%0.65381%0.807SS**  trans-148.5150.5166.800000111.5S724S724-A726 PolarHBondContact O-N 2.84Å
727T26.4Very low24.5Very low143 Ų143144 Ų14488%0.87779%0.785SS**SBendtrans70.532.6163.5-22.50000118.8
728I27.4Very low24.7Very low167 Ų167141.3 Ų141.386%0.85678%0.784SS**  trans-120.576.1153.4-51.9-177.4000109.8
729N23.3Very low24.8Very low161 Ų161140.3 Ų140.386%0.86178%0.778SS**  trans-15448.1170-111.8-15.8000110.6
730N25.2Very low24.8Very low162 Ų162138.6 Ų138.687%0.86677%0.774SS**SBendtrans-160.254.4175.5-103.6-21.5000111.7
731L27Very low25.1Very low163 Ų163140 Ų14085%0.85378%0.781SS**  trans-163.245.8169.8-111.1160.5000112.1
732K24.6Very low25.2Very low211 Ų211139.6 Ų139.692%0.91778%0.778SS**SBendtrans-134.540.7171.6-81.4-164.5173.4-175.90112.2
733Q23.1Very low25.3Very low188 Ų188142.9 Ų142.988%0.87979%0.79SS**  trans-15754.5173.5-120.8167.314.800112.4
734S23.8Very low25.3Very low101 Ų101140.6 Ų140.671%0.70679%0.785SS**  trans-105.683.5159.956.40000108.4L736S734-L736 PolarHBondContact O-N 2.99Å
735T24.1Very low25.2Very low129 Ų129143.3 Ų143.379%0.79178%0.784SS**  trans-63.599.7166.544.80000107.8S737T735-S737 PolarHBondContact O-N 2.93Å
736L24.5Very low25.4Very low165 Ų165141.8 Ų141.886%0.86478%0.776SS**  trans-70.8103.5174.7-159.576.8000107.6S734 T738S734-L736 PolarHBondContact O-N 2.99Å; L736-T738 PolarHBondContact O-N 2.89Å
737S22.3Very low25.6Very low64 Ų64144.4 Ų144.445%0.44878%0.784SS.*  trans-59.8121177.527.20000109.8T735 S739 D740T735-S737 PolarHBondContact O-N 2.93Å; S737-S739 PolarHBondContact O-N 2.82Å; S737-D740 PolarHBondContact OG-OD2 3.37Å
738T26.5Very low26Very low140 Ų140143.2 Ų143.286%0.85977%0.772SS**THydrogen-bonded Turntrans-73.646.1168.842.70000111.1L736L736-T738 PolarHBondContact O-N 2.89Å
739S24.7Very low26.7Very low72 Ų72143.4 Ų143.450%0.50378%0.775SS.*THydrogen-bonded Turntrans-125.3-35.2-170.1-50.60000111.8S737 L741 I742S737-S739 PolarHBondContact O-N 2.82Å; S739-L741 VanDerWaalsContact C-N 3.29Å; S739-L741 PolarHBondContact O-N 2.77Å; S739-I742 PolarHBondContact O-N 3.24Å
740D25.8Very low27.6Very low133 Ų133138.5 Ų138.571%0.71175%0.751SS**THydrogen-bonded Turntrans-89.611-167-52.7-63.2000114.2S737S737-D740 PolarHBondContact OG-OD2 3.37Å
741L30.2Very low28.5Very low175 Ų175139.1 Ų139.192%0.91675%0.753SS**THydrogen-bonded Turntrans-103.6-3.5168.5-84.2164.2000113.2S739 H743S739-L741 VanDerWaalsContact C-N 3.29Å; S739-L741 PolarHBondContact O-N 2.77Å; L741-H743 PolarHBondContact O-N 3.43Å
742I26.3Very low29.8Very low124 Ų124137.1 Ų137.164%0.63674%0.738SS**  trans-95.672.5-177.9-50.1179.9000109.9S739 S744S739-I742 PolarHBondContact O-N 3.24Å; I742-S744 VanDerWaalsContact C-N 3.29Å; I742-S744 PolarHBondContact O-N 3.14Å
743H27.1Very low31.1Very low195 Ų195133.7 Ų133.790%0.90373%0.729SS**  trans-79.580.9168-123.5-45.9000109.9L741 H745L741-H743 PolarHBondContact O-N 3.43Å; H743-H745 PolarHBondContact O-N 2.88Å
744S23Very low33Very low92 Ų92132.9 Ų132.964%0.64373%0.725SS**  trans-72.3107.1-176.1460000112.6I742I742-S744 VanDerWaalsContact C-N 3.29Å; I742-S744 PolarHBondContact O-N 3.14Å
745H26.2Very low35.3Very low178 Ų178129.3 Ų129.382%0.82470%0.699SS**  trans-169.479153.8-105.8-64.1000113.1H743H743-H745 PolarHBondContact O-N 2.88Å
746N27.7Very low38Very low135 Ų135126.8 Ų126.872%0.72268%0.675SS**SBendtrans169.5171.1133.6-84.9-22.4000111.7D748N746-D748 PolarHBondContact O-N 3.38Å
747T28.7Very low40.8Very low134 Ų134120.9 Ų120.982%0.82264%0.643SS**SBendtrans-9260.6-16457.10000113.8
748D35.2Very low43.6Very low118 Ų118118 Ų11863%0.63162%0.623SS**  trans-135.8101.6172.4-72.5-68.2000109.4N746 T750N746-D748 PolarHBondContact O-N 3.38Å; D748-T750 PolarHBondContact O-N 3.05Å
749D42.1Very low46.1Very low172 Ų172116.2 Ų116.292%0.9261%0.605SS**  trans-74.767.6-179.5-66.1-53.8000111.2
750T42.1Very low48.6Very low58 Ų58115.8 Ų115.836%0.35660%0.596SS.*  trans-140.4101.9179.1-60.10000110.8D748 F752D748-T750 PolarHBondContact O-N 3.05Å; T750-F752 HydrophobicContact CG2-CD2 4.5Å; T750-F752 HydrophobicContact CG2-CE1 4.04Å; T750-F752 HydrophobicContact CG2-CE2 3.84Å; T750-F752 HydrophobicContact CG2-CZ 3.57Å; T750-F752 WeakPolarHBondContact O-CD2 3.37Å; T750-F752 WeakPolarHBondContact O-CE2 3.16Å
751L44.4Very low51Low174 Ų174115.1 Ų115.191%0.91159%0.589SS**  trans-85.5121.5175.3-75159.1000110.2
752F52.9Low53.4Low122 Ų122107 Ų10754%0.53555%0.546SS..  trans-91.1115.6177.7-63.6-85.8000110.3S519 T750S519-F752 WeakPolarHBondContact OG-CE1 3.49Å; S519-F752 WeakPolarHBondContact OG-CZ 3.38Å; T750-F752 HydrophobicContact CG2-CD2 4.5Å; T750-F752 HydrophobicContact CG2-CE1 4.04Å; T750-F752 HydrophobicContact CG2-CE2 3.84Å; T750-F752 HydrophobicContact CG2-CZ 3.57Å; T750-F752 WeakPolarHBondContact O-CD2 3.37Å; T750-F752 WeakPolarHBondContact O-CE2 3.16Å
753L51.7Low56.1Low139 Ų139101.1 Ų101.173%0.72852%0.516SS*.  trans-94.3105.9175.4-73.5167.9000110.1
754E63.9Low58.7Low170 Ų17093.2 Ų93.279%0.79448%0.484SS*.PPolyproline II helixtrans-76.4133.7170.9-168.3167.5-151.200110.3
755T71.5Confident61.5Low26 Ų2691.1 Ų91.116%0.1647%0.468CS..PPolyproline II helixtrans-84127.8-175.845.40000111.1Y586 Y590 M593Y586-T755 HydrophobicContact CE2-CG2 4.01Å; Y590-T755 HydrophobicContact CD2-CG2 4.43Å; M593-T755 HydrophobicContact CE-CG2 4.36Å; M593-T755 WeakPolarHBondContact CE-OG1 3.43Å; M593-T755 PolarHBondContact SD-OG1 3.11Å
756R82.3Confident64.2Low77 Ų7783 Ų8329%0.29143%0.43SS..PPolyproline II helixtrans-66.3163.3175.470.2153.6174.661.9-0.4112.6Y590 Q594 E759 E762Y590-R756 WeakPolarHBondContact CE2-O 3.29Å; Y590-R756 PolarHBondContact OH-NH1 2.99Å; Y590-R756 VanDerWaalsContact OH-NH1 3.11Å; Q594-R756 PolarHBondContact NE2-O 3.34Å; R756-E759 IonicContact CZ-OE1 3.6Å; R756-E759 IonicContact NE-OE1 2.72Å; R756-E759 PolarHBondContact NE-OE1 3.22Å; R756-E759 IonicContact NH1-OE1 3.84Å; R756-E759 IonicContact NH2-OE1 2.72Å; R756-E759 PolarHBondContact NH2-OE1 3.02Å; R756-E762 IonicContact CZ-OE1 3.23Å; R756-E762 IonicContact CZ-OE2 3.79Å; R756-E762 IonicContact NH1-OE1 2.71Å; R756-E762 PolarHBondContact NH1-OE1 3.04Å; R756-E762 IonicContact NH1-OE2 3.91Å; R756-E762 PolarHBondContact NH1-OE2 2.91Å; R756-E762 IonicContact NH2-OE1 2.72Å; R756-E762 PolarHBondContact NH2-OE1 3.24Å; R756-E762 IonicContact NH2-OE2 3.12Å
757E82.7Confident67Low40 Ų4077.2 Ų77.219%0.18740%0.399CS..PPolyproline II helixtrans-71.3160.4166.2-70.1-62143.900111.5R597 R639 I641R597-E757 IonicContact CZ-OE1 3.24Å; R597-E757 IonicContact NH1-OE1 2.99Å; R597-E757 PolarHBondContact NH1-OE1 3.15Å; R597-E757 IonicContact NH1-OE2 2.87Å; R597-E757 PolarHBondContact NH1-OE2 3.25Å; R597-E757 IonicContact NH2-OE1 2.75Å; R639-E757 HydrophobicContact CB-CG 4.1Å; R639-E757 PolarHBondContact N-OE2 3.03Å; I641-E757 HydrophobicContact CD1-CB 4.04Å; I641-E757 HydrophobicContact CG1-CB 4.35Å
758P81.5Confident69.6Low5 Ų575.4 Ų75.43%0.03238%0.381CS..PPolyproline II helixtrans-81.1145.2-174.531.7-34.3000114.4Y590 P638 E762 L763Y590-P758 WeakPolarHBondContact OH-CA 3.35Å; Y590-P758 VanDerWaalsContact OH-CB 3.31Å; Y590-P758 WeakPolarHBondContact OH-CB 3.49Å; P638-P758 HydrophobicContact CB-CG 3.8Å; P758-E762 WeakPolarHBondContact CA-OE2 3.46Å; P758-E762 HydrophobicContact CB-CB 4.48Å; P758-L763 HydrophobicContact CB-CB 4.33Å; P758-L763 HydrophobicContact CG-CB 4.5Å; P758-L763 HydrophobicContact CG-CD1 4.11Å; P758-L763 HydrophobicContact CG-CD2 4.11Å; P758-L763 HydrophobicContact CG-CG 4.49Å
759E78.8Confident71.8Confident102 Ų10270.6 Ų70.648%0.47736%0.356SS..PPolyproline II helixtrans-75.2160.4168.7-67.5169.4-133.500110.3R756 E761 E762 L763R756-E759 IonicContact CZ-OE1 3.6Å; R756-E759 IonicContact NE-OE1 2.72Å; R756-E759 PolarHBondContact NE-OE1 3.22Å; R756-E759 IonicContact NH1-OE1 3.84Å; R756-E759 IonicContact NH2-OE1 2.72Å; R756-E759 PolarHBondContact NH2-OE1 3.02Å; E759-E761 VanDerWaalsContact C-N 3.25Å; E759-E761 PolarHBondContact O-N 2.89Å; E759-E762 HydrophobicContact CB-CG 4.16Å; E759-E762 PolarHBondContact N-OE2 2.92Å; E759-E762 VanDerWaalsContact N-OE2 3.1Å; E759-E762 PolarHBondContact O-N 2.93Å; E759-L763 WeakPolarHBondContact O-CB 3.44Å; E759-L763 PolarHBondContact O-N 3.04Å
760I76.2Confident73.8Confident62 Ų6264.1 Ų64.132%0.31832%0.323SS..Hα-helixtrans-59.4-39.8-172.4-78172.2000111.2I640 L659 A764I640-I760 HydrophobicContact CG2-CD1 4.27Å; I640-I760 HydrophobicContact CG2-CG1 3.75Å; L659-I760 HydrophobicContact CD2-CB 4.21Å; L659-I760 HydrophobicContact CD2-CG1 4.05Å; L659-I760 HydrophobicContact CD2-CG2 4.04Å; I760-A764 WeakPolarHBondContact O-CB 3.33Å; I760-A764 PolarHBondContact O-N 2.98Å
761E76.5Confident75.9Confident120 Ų12063 Ų6356%0.56131%0.313SS*.Hα-helixtrans-69.8-46.4-179-65.963.4-144.600111.1E759 L763 A764 V765E759-E761 VanDerWaalsContact C-N 3.25Å; E759-E761 PolarHBondContact O-N 2.89Å; E761-L763 VanDerWaalsContact C-N 3.33Å; E761-L763 PolarHBondContact O-N 2.86Å; E761-A764 PolarHBondContact O-N 3.38Å; E761-V765 WeakPolarHBondContact O-CG2 3.46Å; E761-V765 PolarHBondContact O-N 2.82Å
762E81.5Confident78Confident4 Ų455.3 Ų55.32%0.01927%0.273CS..Hα-helixtrans-59.6-46.6175.9-60.8-177.114600110.8Y590 R756 P758 E759 A764 V765 L766 F845Y590-E762 PolarHBondContact OH-OE2 2.8Å; R756-E762 IonicContact CZ-OE1 3.23Å; R756-E762 IonicContact CZ-OE2 3.79Å; R756-E762 IonicContact NH1-OE1 2.71Å; R756-E762 PolarHBondContact NH1-OE1 3.04Å; R756-E762 IonicContact NH1-OE2 3.91Å; R756-E762 PolarHBondContact NH1-OE2 2.91Å; R756-E762 IonicContact NH2-OE1 2.72Å; R756-E762 PolarHBondContact NH2-OE1 3.24Å; R756-E762 IonicContact NH2-OE2 3.12Å; P758-E762 WeakPolarHBondContact CA-OE2 3.46Å; P758-E762 HydrophobicContact CB-CB 4.48Å; E759-E762 HydrophobicContact CB-CG 4.16Å; E759-E762 PolarHBondContact N-OE2 2.92Å; E759-E762 VanDerWaalsContact N-OE2 3.1Å; E759-E762 PolarHBondContact O-N 2.93Å; E762-A764 VanDerWaalsContact C-N 3.31Å; E762-A764 PolarHBondContact O-N 2.85Å; E762-V765 WeakPolarHBondContact O-CA 3.36Å; E762-V765 WeakPolarHBondContact O-CB 3.3Å; E762-V765 PolarHBondContact O-N 3.4Å; E762-L766 WeakPolarHBondContact O-CG 3.46Å; E762-L766 PolarHBondContact O-N 2.94Å; E762-F845 HydrophobicContact CB-CE1 4.13Å; E762-F845 HydrophobicContact CB-CE2 4.31Å; E762-F845 HydrophobicContact CB-CZ 4.02Å; E762-F845 HydrophobicContact CG-CB 4.46Å; E762-F845 HydrophobicContact CG-CD1 3.85Å; E762-F845 HydrophobicContact CG-CD2 3.98Å; E762-F845 HydrophobicContact CG-CE1 3.95Å; E762-F845 HydrophobicContact CG-CE2 4.06Å; E762-F845 HydrophobicContact CG-CG 3.88Å; E762-F845 HydrophobicContact CG-CZ 4.05Å
763L83Confident79.7Confident0 Ų051.7 Ų51.70%026%0.262CS..Hα-helixtrans-67-36-178.7-162.952.9000111.2L598 P638 I640 L659 I663 P758 E759 E761 V765 L766 L767L598-L763 HydrophobicContact CD1-CD1 4.07Å; L598-L763 HydrophobicContact CD2-CD1 4.26Å; P638-L763 HydrophobicContact CB-CD1 4.32Å; P638-L763 HydrophobicContact CG-CD1 4.49Å; I640-L763 HydrophobicContact CG1-CD2 3.94Å; L659-L763 HydrophobicContact CD2-CB 4.47Å; L659-L763 HydrophobicContact CD2-CD2 4.26Å; I663-L763 HydrophobicContact CD1-CD2 3.46Å; I663-L763 VanDerWaalsContact CD1-CD2 3.46Å; I663-L763 HydrophobicContact CD1-CG 4.29Å; I663-L763 HydrophobicContact CG1-CD2 4.13Å; I663-L763 HydrophobicContact CG1-CG 4.46Å; P758-L763 HydrophobicContact CB-CB 4.33Å; P758-L763 HydrophobicContact CG-CB 4.5Å; P758-L763 HydrophobicContact CG-CD1 4.11Å; P758-L763 HydrophobicContact CG-CD2 4.11Å; P758-L763 HydrophobicContact CG-CG 4.49Å; E759-L763 WeakPolarHBondContact O-CB 3.44Å; E759-L763 PolarHBondContact O-N 3.04Å; E761-L763 VanDerWaalsContact C-N 3.33Å; E761-L763 PolarHBondContact O-N 2.86Å; L763-V765 VanDerWaalsContact C-N 3.29Å; L763-V765 PolarHBondContact O-N 3.27Å; L763-L766 HydrophobicContact CD1-CD1 4.37Å; L763-L766 PolarHBondContact O-N 3.36Å; L763-L767 HydrophobicContact CG-CD1 4.36Å; L763-L767 WeakPolarHBondContact O-CB 3.37Å; L763-L767 VanDerWaalsContact O-CG 3.23Å; L763-L767 WeakPolarHBondContact O-CG 3.28Å; L763-L767 PolarHBondContact O-N 2.82Å
764A80.3Confident81.3Confident29 Ų2951.9 Ų51.924%0.2426%0.259CS..Hα-helixtrans-65.1-28170.800000113.4I760 E761 E762 Q768I760-A764 WeakPolarHBondContact O-CB 3.33Å; I760-A764 PolarHBondContact O-N 2.98Å; E761-A764 PolarHBondContact O-N 3.38Å; E762-A764 VanDerWaalsContact C-N 3.31Å; E762-A764 PolarHBondContact O-N 2.85Å; A764-Q768 WeakPolarHBondContact O-CG 3.25Å; A764-Q768 PolarHBondContact O-NE2 3.42Å; A764-Q768 VanDerWaalsContact O-NE2 3.08Å
765V82.6Confident82.3Confident49 Ų4945.4 Ų45.430%0.29724%0.238SC..Hα-helixtrans-77.9-42.4171.7171.50000111.7E761 E762 L763 L767 Q768 F845E761-V765 WeakPolarHBondContact O-CG2 3.46Å; E761-V765 PolarHBondContact O-N 2.82Å; E762-V765 WeakPolarHBondContact O-CA 3.36Å; E762-V765 WeakPolarHBondContact O-CB 3.3Å; E762-V765 PolarHBondContact O-N 3.4Å; L763-V765 VanDerWaalsContact C-N 3.29Å; L763-V765 PolarHBondContact O-N 3.27Å; V765-L767 VanDerWaalsContact C-N 3.34Å; V765-L767 PolarHBondContact O-N 3.38Å; V765-Q768 WeakPolarHBondContact O-CB 3.47Å; V765-Q768 PolarHBondContact O-N 2.92Å; V765-Q768 VanDerWaalsContact O-N 3.17Å; V765-F845 HydrophobicContact CB-CE1 4.18Å; V765-F845 HydrophobicContact CB-CZ 4.42Å; V765-F845 HydrophobicContact CG1-CE1 4.3Å; V765-F845 HydrophobicContact CG1-CZ 4.33Å; V765-F845 HydrophobicContact CG2-CE1 4.28Å
766L83.2Confident83.2Confident7 Ų744.3 Ų44.34%0.03723%0.231CC..Hα-helixtrans-61.9-40.2177.1-67.4173000111.9Q594 K595 L598 E762 L763 Q768 D769Q594-L766 HydrophobicContact CB-CD1 3.73Å; K595-L766 HydrophobicContact CD-CD2 4.38Å; K595-L766 VanDerWaalsContact CE-CD2 3.43Å; K595-L766 HydrophobicContact CG-CD2 3.97Å; L598-L766 HydrophobicContact CD1-CB 3.73Å; L598-L766 HydrophobicContact CD1-CD1 4.34Å; E762-L766 WeakPolarHBondContact O-CG 3.46Å; E762-L766 PolarHBondContact O-N 2.94Å; L763-L766 HydrophobicContact CD1-CD1 4.37Å; L763-L766 PolarHBondContact O-N 3.36Å; L766-Q768 PolarHBondContact O-N 2.97Å; L766-D769 PolarHBondContact O-N 3.46Å
767L85.6Confident83.6Confident14 Ų1442.2 Ų42.27%0.07323%0.225CC..THydrogen-bonded Turntrans-71.5-0.8176.9-70.1169.6000114.6L598 L659 R662 I663 Y666 L763 V765L598-L767 HydrophobicContact CD1-CD2 4.45Å; L598-L767 HydrophobicContact CD2-CD2 4.02Å; L659-L767 HydrophobicContact CD1-CD1 3.7Å; R662-L767 HydrophobicContact CB-CD1 4.38Å; I663-L767 HydrophobicContact CG1-CD1 4.06Å; Y666-L767 HydrophobicContact CD1-CD2 4.11Å; Y666-L767 HydrophobicContact CD2-CD2 3.64Å; Y666-L767 HydrophobicContact CE2-CD2 4.18Å; Y666-L767 HydrophobicContact CG-CD2 3.6Å; L763-L767 HydrophobicContact CG-CD1 4.36Å; L763-L767 WeakPolarHBondContact O-CB 3.37Å; L763-L767 VanDerWaalsContact O-CG 3.23Å; L763-L767 WeakPolarHBondContact O-CG 3.28Å; L763-L767 PolarHBondContact O-N 2.82Å; V765-L767 VanDerWaalsContact C-N 3.34Å; V765-L767 PolarHBondContact O-N 3.38Å
768Q84Confident84Confident95 Ų9540.4 Ų40.444%0.44422%0.217SC..THydrogen-bonded Turntrans-89-9.4172.1-68.3163.530.100113.3A764 V765 L766 P770A764-Q768 WeakPolarHBondContact O-CG 3.25Å; A764-Q768 PolarHBondContact O-NE2 3.42Å; A764-Q768 VanDerWaalsContact O-NE2 3.08Å; V765-Q768 WeakPolarHBondContact O-CB 3.47Å; V765-Q768 PolarHBondContact O-N 2.92Å; V765-Q768 VanDerWaalsContact O-N 3.17Å; L766-Q768 PolarHBondContact O-N 2.97Å; Q768-P770 WeakPolarHBondContact O-CD 3.31Å
769D81.8Confident84.5Confident17 Ų1740.1 Ų40.19%0.09122%0.215CC..SBendtrans-72.1119.9178.4-82.2-8.1000110.5R560 K595 Y666 L766 R1005R560-D769 IonicContact CZ-OD1 3.69Å; R560-D769 VanDerWaalsContact CZ-OD1 3.22Å; R560-D769 IonicContact CZ-OD2 3.31Å; R560-D769 IonicContact NH1-OD1 2.77Å; R560-D769 PolarHBondContact NH1-OD1 2.96Å; R560-D769 IonicContact NH1-OD2 3.56Å; R560-D769 PolarHBondContact NH1-OD2 2.88Å; R560-D769 IonicContact NH2-OD1 2.96Å; R560-D769 PolarHBondContact NH2-OD1 2.82Å; R560-D769 IonicContact NH2-OD2 2.75Å; K595-D769 WeakPolarHBondContact CE-OD2 3.33Å; K595-D769 IonicContact NZ-OD2 3.39Å; K595-D769 PolarHBondContact NZ-OD2 3.22Å; Y666-D769 PolarHBondContact OH-O 2.95Å; Y666-D769 VanDerWaalsContact OH-O 3.04Å; L766-D769 PolarHBondContact O-N 3.46Å; D769-R1005 WeakPolarHBondContact OD1-CD 3.46Å
770P83.7Confident85.2Confident37 Ų3735.5 Ų35.524%0.2419%0.194CC..PPolyproline II helixtrans-69.6145.3-173.830.1-35.8000110.9Q768 Q1009 W1012Q768-P770 WeakPolarHBondContact O-CD 3.31Å; P770-Q1009 HydrophobicContact CG-CG 4.09Å; P770-W1012 HydrophobicContact CB-CH2 4.44Å; P770-W1012 HydrophobicContact CB-CZ3 4Å; P770-W1012 HydrophobicContact CG-CH2 3.94Å; P770-W1012 HydrophobicContact CG-CZ3 3.81Å
771F86.1Confident86Confident33 Ų3332.6 Ų32.615%0.14518%0.179CC..PPolyproline II helixtrans-69.2145.6165.7-70.3-76.2000110.3Y666 K669 L673 Y674 W1012Y666-F771 HydrophobicContact CD1-CE1 4.46Å; Y666-F771 HydrophobicContact CD1-CE2 4.29Å; Y666-F771 AromaticContact CD1-CZ 3.62Å; Y666-F771 HydrophobicContact CD1-CZ 3.62Å; Y666-F771 AromaticContact CD2-CE2 3.66Å; Y666-F771 HydrophobicContact CD2-CE2 3.66Å; Y666-F771 AromaticContact CD2-CZ 3.86Å; Y666-F771 HydrophobicContact CD2-CZ 3.86Å; Y666-F771 AromaticContact CE1-CE1 3.93Å; Y666-F771 HydrophobicContact CE1-CE1 3.93Å; Y666-F771 HydrophobicContact CE1-CE2 4.12Å; Y666-F771 AromaticContact CE1-CZ 3.42Å; Y666-F771 HydrophobicContact CE1-CZ 3.42Å; Y666-F771 VanDerWaalsContact CE1-CZ 3.42Å; Y666-F771 HydrophobicContact CE2-CD2 4.27Å; Y666-F771 AromaticContact CE2-CE2 3.47Å; Y666-F771 HydrophobicContact CE2-CE2 3.47Å; Y666-F771 VanDerWaalsContact CE2-CE2 3.47Å; Y666-F771 AromaticContact CE2-CZ 3.69Å; Y666-F771 HydrophobicContact CE2-CZ 3.69Å; Y666-F771 HydrophobicContact CG-CE2 4.07Å; Y666-F771 AromaticContact CG-CZ 3.83Å; Y666-F771 HydrophobicContact CG-CZ 3.83Å; Y666-F771 AromaticContact CZ-CE2 3.72Å; Y666-F771 AromaticContact CZ-CZ 3.46Å; Y666-F771 VanDerWaalsContact CZ-CZ 3.46Å; K669-F771 HydrophobicContact CB-CE2 4.34Å; K669-F771 HydrophobicContact CB-CZ 4.41Å; K669-F771 HydrophobicContact CD-CD2 4.02Å; K669-F771 HydrophobicContact CD-CE2 3.9Å; K669-F771 HydrophobicContact CG-CD2 4.35Å; K669-F771 HydrophobicContact CG-CE2 4.02Å; K669-F771 HydrophobicContact CG-CZ 4.33Å; L673-F771 HydrophobicContact CD2-CB 3.77Å; L673-F771 HydrophobicContact CD2-CD1 3.68Å; L673-F771 HydrophobicContact CD2-CG 4.01Å; Y674-F771 AromaticContact CE2-CD1 3.99Å; Y674-F771 HydrophobicContact CE2-CD1 3.99Å; Y674-F771 HydrophobicContact CE2-CE1 4.06Å; F771-W1012 VanDerWaalsContact O-CZ3 3.32Å; F771-W1012 WeakPolarHBondContact O-CZ3 3.28Å
772Q88Confident86.4Confident13 Ų1328.9 Ų28.96%0.06116%0.162CC..PPolyproline II helixtrans-61148.9166.968.9-151.86100110.4L673 Y674 L776 L778 W1012L673-Q772 HydrophobicContact CD2-CG 4.38Å; Y674-Q772 HydrophobicContact CE1-CG 4.48Å; Y674-Q772 PolarHBondContact OH-OE1 2.77Å; Q772-L776 WeakPolarHBondContact CG-O 3.3Å; Q772-L776 PolarHBondContact NE2-O 2.95Å; Q772-L778 HydrophobicContact CB-CD1 3.75Å; Q772-L778 HydrophobicContact CB-CG 4.35Å; Q772-W1012 HydrophobicContact CB-CZ2 4.49Å
773P88.2Confident86.3Confident46 Ų4629.9 Ų29.930%0.29917%0.169SC..PPolyproline II helixtrans-53.8145.8172.3-27.235.5000112.8G775 L776 W1012 I1019P773-G775 PolarHBondContact O-N 2.8Å; P773-L776 HydrophobicContact CB-CB 4.18Å; P773-L776 HydrophobicContact CG-CD2 4.31Å; P773-L776 WeakPolarHBondContact O-CB 3.44Å; P773-L776 PolarHBondContact O-N 2.89Å; P773-W1012 HydrophobicContact CG-CB 4.12Å; P773-I1019 HydrophobicContact CB-CD1 3.82Å; P773-I1019 HydrophobicContact CG-CD1 4.38Å
774Q85.9Confident86Confident143 Ų14333 Ų3367%0.66819%0.185SC*.THydrogen-bonded Turntrans-61.2133.9172-174.8170-14.900109.6L673 L776 I1019L673-Q774 HydrophobicContact CD1-CB 4.23Å; Q774-L776 VanDerWaalsContact C-N 3.28Å; Q774-L776 PolarHBondContact O-N 3.29Å; Q774-I1019 WeakPolarHBondContact O-CG2 3.47Å
775G85.1Confident85.2Confident35 Ų3532.2 Ų32.236%0.36118%0.178SC..THydrogen-bonded Turntrans80.9-6.2-171.900000115.3P773 P1020 C1021P773-G775 PolarHBondContact O-N 2.8Å; G775-P1020 CarbonylContact O-C 3.57Å; G775-P1020 WeakPolarHBondContact O-CA 3.44Å; G775-P1020 WeakPolarHBondContact O-CB 3.48Å; G775-C1021 PolarHBondContact O-N 2.89Å; G775-C1021 VanDerWaalsContact O-N 3.08Å
776L89.9Confident83.7Confident3 Ų337.2 Ų37.22%0.01620%0.201CC..EExtended strand (participates in β ladder)trans-95119.5165.4-177.163.6000109.6Q772 P773 Q774 L778 W1012 I1019 C1021 I1023Q772-L776 WeakPolarHBondContact CG-O 3.3Å; Q772-L776 PolarHBondContact NE2-O 2.95Å; P773-L776 HydrophobicContact CB-CB 4.18Å; P773-L776 HydrophobicContact CG-CD2 4.31Å; P773-L776 WeakPolarHBondContact O-CB 3.44Å; P773-L776 PolarHBondContact O-N 2.89Å; Q774-L776 VanDerWaalsContact C-N 3.28Å; Q774-L776 PolarHBondContact O-N 3.29Å; L776-L778 HydrophobicContact CD1-CD2 4.13Å; L776-L778 HydrophobicContact CD2-CD2 3.82Å; L776-L778 HydrophobicContact CD2-CG 4.35Å; L776-L778 HydrophobicContact CG-CD2 3.81Å; L776-L778 HydrophobicContact CG-CG 4.2Å; L776-W1012 HydrophobicContact CD2-CB 3.92Å; L776-W1012 HydrophobicContact CD2-CG 3.76Å; L776-I1019 HydrophobicContact CB-CD1 4.38Å; L776-C1021 WeakPolarHBondContact CA-O 2.92Å; L776-C1021 WeakPolarHBondContact CD1-SG 3.28Å; L776-I1023 HydrophobicContact CD1-CD1 4.08Å; L776-I1023 HydrophobicContact CD1-CG1 4.18Å
777I90Very high81.9Confident33 Ų3338.9 Ų38.917%0.16921%0.213CC..EExtended strand (participates in β ladder)trans-102.6141170.4-60.3177.9000108.7P554 T779 C1021 I1022 I1023P554-I777 HydrophobicContact CG-CG2 3.7Å; I777-T779 HydrophobicContact CG2-CG2 4.24Å; I777-C1021 PolarHBondContact N-O 3.45Å; I777-I1022 HydrophobicContact CB-CB 4.31Å; I777-I1022 HydrophobicContact CB-CG1 4.24Å; I777-I1022 HydrophobicContact CB-CG2 3.86Å; I777-I1022 HydrophobicContact CD1-CD1 4.49Å; I777-I1022 HydrophobicContact CD1-CG1 4.37Å; I777-I1022 HydrophobicContact CG2-CG2 3.81Å; I777-I1022 CarbonylContact O-C 3.55Å; I777-I1022 WeakPolarHBondContact O-CA 3.21Å; I777-I1023 PolarHBondContact O-N 2.95Å
778L91.5Very high79.4Confident1 Ų145.3 Ų45.31%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-131.7122.3-177.3-57.7174.1000109.4L556 Q772 L776 W1012 I1023L556-L778 HydrophobicContact CB-CB 3.69Å; L556-L778 HydrophobicContact CB-CD1 4.09Å; L556-L778 HydrophobicContact CD2-CD1 4.17Å; L556-L778 PolarHBondContact N-O 3.26Å; Q772-L778 HydrophobicContact CB-CD1 3.75Å; Q772-L778 HydrophobicContact CB-CG 4.35Å; L776-L778 HydrophobicContact CD1-CD2 4.13Å; L776-L778 HydrophobicContact CD2-CD2 3.82Å; L776-L778 HydrophobicContact CD2-CG 4.35Å; L776-L778 HydrophobicContact CG-CD2 3.81Å; L776-L778 HydrophobicContact CG-CG 4.2Å; L778-W1012 HydrophobicContact CD1-CZ2 3.78Å; L778-I1023 HydrophobicContact CD2-CB 3.94Å; L778-I1023 HydrophobicContact CD2-CD1 3.92Å; L778-I1023 HydrophobicContact CD2-CG1 4.24Å
779T93.3Very high76.9Confident0 Ų046.4 Ų46.40%026%0.257CS..  trans-136144.5176.7730000112.1P554 T625 I777 T781 I1023 N1024 A1025 L1026P554-T779 HydrophobicContact CB-CG2 4.01Å; P554-T779 HydrophobicContact CG-CG2 3.65Å; T625-T779 HydrophobicContact CG2-CG2 3.81Å; I777-T779 HydrophobicContact CG2-CG2 4.24Å; T779-T781 VanDerWaalsContact C-N 3.33Å; T779-T781 WeakPolarHBondContact CB-OG1 3.2Å; T779-T781 PolarHBondContact OG1-O 3.46Å; T779-T781 VanDerWaalsContact OG1-O 3.14Å; T779-T781 PolarHBondContact OG1-OG1 2.81Å; T779-I1023 PolarHBondContact N-O 3.15Å; T779-N1024 CarbonylContact O-C 3.5Å; T779-N1024 WeakPolarHBondContact OG1-CA 3.27Å; T779-N1024 PolarHBondContact OG1-OD1 2.83Å; T779-A1025 PolarHBondContact O-N 3.06Å; T779-L1026 WeakPolarHBondContact O-CB 3.3Å; T779-L1026 PolarHBondContact O-N 3.23Å
780T93.6Very high74.3Confident5 Ų552.3 Ų52.33%0.03129%0.288CS..SBendtrans-83.2-14.6167.362.70000112.2L556 F605 G606 T625 L1026L556-T780 HydrophobicContact CD1-CG2 3.79Å; F605-T780 PolarHBondContact O-OG1 3.17Å; G606-T780 WeakPolarHBondContact O-CB 3.19Å; G606-T780 PolarHBondContact O-OG1 3.21Å; T625-T780 PolarHBondContact N-OG1 2.82Å; T625-T780 PolarHBondContact OG1-N 3.13Å; T625-T780 PolarHBondContact OG1-OG1 3.18Å; T780-L1026 WeakPolarHBondContact CG2-O 3.33Å
781T92.1Very high71.7Confident0 Ų053.1 Ų53.10%030%0.295CS..SBendtrans-81.7155.4178.655.20000112.1D543 F544 F605 T779 S783 A1025D543-T781 WeakPolarHBondContact OD1-CA 3.11Å; D543-T781 VanDerWaalsContact OD1-CB 3.23Å; D543-T781 WeakPolarHBondContact OD1-CB 3.41Å; D543-T781 WeakPolarHBondContact OD1-CG2 3.48Å; D543-T781 WeakPolarHBondContact OD2-CB 3.47Å; F544-T781 HydrophobicContact CD2-CG2 4.25Å; F544-T781 HydrophobicContact CE2-CG2 3.75Å; F544-T781 VanDerWaalsContact CE2-OG1 3.31Å; F544-T781 WeakPolarHBondContact CE2-OG1 3.45Å; F544-T781 HydrophobicContact CZ-CG2 3.94Å; F605-T781 HydrophobicContact CB-CG2 4.23Å; T779-T781 VanDerWaalsContact C-N 3.33Å; T779-T781 WeakPolarHBondContact CB-OG1 3.2Å; T779-T781 PolarHBondContact OG1-O 3.46Å; T779-T781 VanDerWaalsContact OG1-O 3.14Å; T779-T781 PolarHBondContact OG1-OG1 2.81Å; T781-S783 WeakPolarHBondContact CB-O 3.47Å; T781-S783 PolarHBondContact OG1-O 3.44Å; T781-A1025 PolarHBondContact O-N 3.17Å
782E85.8Confident69.1Low43 Ų4356.1 Ų56.120%0.20131%0.311CS..SBendtrans-76.6-37.8170.1-67.5-176.8-127.700111.1D543 N1024 A1025 L1171 S1172D543-E782 PolarHBondContact OD1-N 2.82Å; D543-E782 PolarHBondContact OD2-N 2.93Å; E782-N1024 PolarHBondContact O-ND2 2.91Å; E782-A1025 HydrophobicContact CG-CB 4.22Å; E782-L1171 HydrophobicContact CB-CD2 4.19Å; E782-L1171 HydrophobicContact CG-CD2 4.19Å; E782-S1172 PolarHBondContact OE1-OG 3.42Å; E782-S1172 WeakPolarHBondContact OE2-CB 3.44Å; E782-S1172 PolarHBondContact OE2-N 3.1Å; E782-S1172 PolarHBondContact OE2-OG 3.17Å
783S79.1Confident66.4Low24 Ų2460.3 Ų60.317%0.16833%0.333CS..SBendtrans-84.6150.7177.960.60000113D543 T781D543-S783 WeakPolarHBondContact OD2-CB 3.19Å; D543-S783 PolarHBondContact OD2-N 2.9Å; D543-S783 PolarHBondContact OD2-OG 2.96Å; T781-S783 WeakPolarHBondContact CB-O 3.47Å; T781-S783 PolarHBondContact OG1-O 3.44Å
784I76.4Confident63.5Low65 Ų6564.6 Ų64.633%0.33335%0.353SS..  trans-105.6135.3173.7-61.3154.3000107.1I786 I1022 N1024I784-I786 PolarHBondContact O-N 2.79Å; I784-I1022 HydrophobicContact CD1-CD1 3.59Å; I784-I1022 HydrophobicContact CD1-CG2 4.14Å; I784-I1022 HydrophobicContact CG1-CD1 4.4Å; I784-I1022 HydrophobicContact CG1-CG2 4.21Å; I784-N1024 WeakPolarHBondContact CG1-ND2 3.49Å
785P62.9Low60.7Low14 Ų1463.6 Ų63.69%0.09135%0.352CS..  trans-66.5123.8175.728.6-33.7000109.9F544 I550 P554 S787F544-P785 HydrophobicContact CE2-CG 4.33Å; I550-P785 HydrophobicContact CB-CB 3.95Å; I550-P785 HydrophobicContact CD1-CB 3.8Å; I550-P785 HydrophobicContact CG1-CB 4.49Å; I550-P785 HydrophobicContact CG2-CB 3.65Å; I550-P785 HydrophobicContact CG2-CG 4.17Å; P554-P785 HydrophobicContact CB-CG 4.29Å; P554-P785 HydrophobicContact CG-CG 3.9Å; P785-S787 PolarHBondContact O-N 2.88Å
786I51.2Low57.9Low154 Ų15468.5 Ų68.579%0.7937%0.371SS*.  trans-7793.1179.7-55.6172000108.6I784I784-I786 PolarHBondContact O-N 2.79Å
787S44.7Very low55Low41 Ų4176.5 Ų76.529%0.28741%0.413SS..  trans-73.9124.4166.856.10000109.6P785 D789P785-S787 PolarHBondContact O-N 2.88Å; S787-D789 PolarHBondContact O-N 3.35Å
788N34.4Very low51.9Low150 Ų15082.5 Ų82.580%0.80245%0.446SS*.SBendtrans-68.20.1-176.4-79.6-21000115.3N790N788-N790 PolarHBondContact O-N 2.89Å
789D30.9Very low48.7Very low118 Ų11887.1 Ų87.163%0.63148%0.478SS*.  trans-91.998.4-176.2-65.1-46.3000111.4S787 S791S787-D789 PolarHBondContact O-N 3.35Å; D789-S791 PolarHBondContact O-N 3.21Å; D789-S791 PolarHBondContact O-OG 3.29Å
790N26.5Very low45.4Very low141 Ų14193 Ų9375%0.75451%0.514SS*.  trans-64.670.6173.1-82.2-21.3000112.2N788N788-N790 PolarHBondContact O-N 2.89Å
791S30.1Very low42.1Very low54 Ų5499.7 Ų99.738%0.37855%0.549SS..  trans-141.341.4179.461.30000111.6R675 D789R675-S791 PolarHBondContact NH1-O 2.78Å; R675-S791 PolarHBondContact NH1-OG 2.85Å; R675-S791 PolarHBondContact NH2-O 2.96Å; D789-S791 PolarHBondContact O-N 3.21Å; D789-S791 PolarHBondContact O-OG 3.29Å
792I32Very low38.8Very low96 Ų96105.8 Ų105.849%0.49258%0.582SS.*SBendtrans-88.7115.3164.3-61177.9000106.5W824I792-W824 HydrophobicContact CB-CH2 4.38Å; I792-W824 HydrophobicContact CB-CZ2 3.93Å; I792-W824 HydrophobicContact CG2-CH2 3.74Å; I792-W824 HydrophobicContact CG2-CZ2 3.69Å
793I30.7Very low35.8Very low101 Ų101110.8 Ų110.852%0.51861%0.61SS.*SBendtrans65.691.6-170.6-49.7-178.2000114W824I793-W824 HydrophobicContact CB-CH2 4.47Å; I793-W824 HydrophobicContact CD1-CH2 3.73Å; I793-W824 HydrophobicContact CD1-CZ3 3.82Å; I793-W824 HydrophobicContact CG1-CH2 3.99Å
794N26.4Very low33.1Very low135 Ų135115 Ų11572%0.72264%0.639SS**  trans-162.343.5138.2-110.4-20000112.9N796N794-N796 PolarHBondContact O-N 2.84Å
795D28.2Very low30.4Very low122 Ų122122.1 Ų122.165%0.65267%0.668SS**  trans-76.860.2171.1-66.2-11.6000110.3
796N26.7Very low28.4Very low139 Ų139126.6 Ų126.674%0.74369%0.694SS**  trans-103.690.6163-104.4-28000106.8N794 N798N794-N796 PolarHBondContact O-N 2.84Å; N796-N798 PolarHBondContact O-N 2.96Å
797D27.6Very low27Very low171 Ų171129.5 Ų129.591%0.91470%0.702SS**  trans-59.898.2176.5-90.2-44000110.5
798N26.9Very low26Very low158 Ų158135.1 Ų135.185%0.84573%0.727SS**  trans-131.9127.4166.6-116.9-37.4000109.3N796N796-N798 PolarHBondContact O-N 2.96Å
799S23Very low25.3Very low98 Ų98135.9 Ų135.969%0.68573%0.725SS**  trans-86.4163.2-155.1620000115.5
800T23.6Very low24.9Very low125 Ų125134.6 Ų134.677%0.76773%0.726SS**  trans98.3141157.573.90000120.8
801L24.3Very low24.7Very low145 Ų145133.1 Ų133.176%0.75973%0.727SS**  trans86.198.3149.5-107.170.4000122.4
802N22.5Very low24.4Very low128 Ų128137.8 Ų137.868%0.68475%0.746SS**  65.2124.8124.6-68.6-1.5000123.1
803N22.7Very low23.9Very low147 Ų147139.1 Ų139.179%0.78676%0.76SS**  trans56.3107.4135.1-63.4-18.3000120
804S22.5Very low23.5Very low112 Ų112139.9 Ų139.978%0.78377%0.77SS**  -165.8135.6103.736.60000113
805K20.8Very low23.3Very low215 Ų215138.6 Ų138.694%0.93577%0.771SS**  trans-92.9118.7163-79.5-179.5174.6177.30108.2
806V21.4Very low22.9Very low108 Ų108140.1 Ų140.166%0.65578%0.776SS**  trans-137.8111.8169.1-1780000110.2I808V806-I808 HydrophobicContact CG1-CD1 3.96Å; V806-I808 HydrophobicContact CG1-CG1 3.81Å
807F20.3Very low22.6Very low215 Ų215140.7 Ų140.794%0.94378%0.78SS**  trans-95.7120.8159.5-88.7-95.9000107.9
808I24Very low22.4Very low160 Ų160136.4 Ų136.482%0.82176%0.763SS**  trans-134.7153.8164-65.8-177.5000108.8V806V806-I808 HydrophobicContact CG1-CD1 3.96Å; V806-I808 HydrophobicContact CG1-CG1 3.81Å
809H20.9Very low22.2Very low165 Ų165136 Ų13676%0.76476%0.76SS**  trans-124.6149.1-160-166.7-88.6000111.8
810S22.2Very low22.3Very low92 Ų92139.5 Ų139.564%0.64377%0.766SS**  trans67.5128.7158.941.60000122.7
811S21.9Very low22.6Very low110 Ų110139.2 Ų139.277%0.76976%0.764SS**  trans67.792.6137.362.10000122.1
812I23.7Very low22.8Very low151 Ų151138.3 Ų138.377%0.77475%0.754SS**  trans-136.1142145.1-66.5-175.3000106.5V814I812-V814 PolarHBondContact O-N 2.81Å
813P22Very low23.2Very low124 Ų124137.3 Ų137.381%0.80575%0.749SS**  trans-69.8118.9-177.327.3-35.3000112.2S815P813-S815 PolarHBondContact O-N 3.04Å
814V22.9Very low23.9Very low118 Ų118133.3 Ų133.372%0.71572%0.723SS**  trans-88.9103.2179.8-177.90000110.6I812 M816I812-V814 PolarHBondContact O-N 2.81Å; V814-M816 HydrophobicContact CG1-CG 3.79Å; V814-M816 PolarHBondContact O-N 3.44Å
815S20.4Very low24.9Very low108 Ų108131.4 Ų131.476%0.75570%0.704SS**  trans-64.1106.415151.10000108.2P813 N817P813-S815 PolarHBondContact O-N 3.04Å; S815-N817 PolarHBondContact O-N 2.65Å
816M21.6Very low26.5Very low154 Ų154123.2 Ų123.276%0.75967%0.667SS**  trans-73.390.7-176.5-78.5-169.4132.300112.2V814 S818V814-M816 HydrophobicContact CG1-CG 3.79Å; V814-M816 PolarHBondContact O-N 3.44Å; M816-S818 PolarHBondContact O-N 3Å
817N19.8Very low28.3Very low151 Ų151123.7 Ų123.781%0.80766%0.662SS**  trans-72.674.6148.4-87.57.3000108.4S815 N819S815-N817 PolarHBondContact O-N 2.65Å; N817-N819 PolarHBondContact O-N 2.96Å
818S24Very low30.5Very low81 Ų81114 Ų11457%0.56662%0.622SS**  trans-78.555.117257.60000111M816M816-S818 PolarHBondContact O-N 3Å
819N22.6Very low32.9Very low148 Ų148109.8 Ų109.879%0.79160%0.601SS**  trans-107.616.9-174.5-90.931.9000113.6N817N817-N819 PolarHBondContact O-N 2.96Å
820E24Very low35.6Very low172 Ų172104 Ų10480%0.80458%0.578SS**  trans-120.239.9169.8-66.8-170.5168.100111.7F822E820-F822 PolarHBondContact O-N 3.38Å
821V29.3Very low38.6Very low120 Ų120100.3 Ų100.373%0.72755%0.551SS**SBendtrans-70.9114.2149.8-179.90000105.7N823V821-N823 PolarHBondContact O-N 2.82Å
822F29.9Very low41.3Very low126 Ų12696.4 Ų96.455%0.55352%0.521SS*.  trans-57.9122-174.8-86.1-95.8000111.2E820 W824E820-F822 PolarHBondContact O-N 3.38Å; F822-W824 VanDerWaalsContact O-CD1 3.29Å; F822-W824 PolarHBondContact O-N 3.18Å
823N29.8Very low44.2Very low106 Ų10690.3 Ų90.357%0.56749%0.488SS*.  trans-7269.2173.2-86.5-44000111.2V821 N825 T1267V821-N823 PolarHBondContact O-N 2.82Å; N823-N825 VanDerWaalsContact C-N 3.33Å; N823-N825 PolarHBondContact O-N 3.34Å; N823-T1267 WeakPolarHBondContact ND2-CG2 3.44Å
824W38.6Very low47Very low64 Ų6485.4 Ų85.424%0.24246%0.456CS..  trans-6794.8161.2-62.594.9000107.5I792 I793 F822 Y826 P1049 N1176I792-W824 HydrophobicContact CB-CH2 4.38Å; I792-W824 HydrophobicContact CB-CZ2 3.93Å; I792-W824 HydrophobicContact CG2-CH2 3.74Å; I792-W824 HydrophobicContact CG2-CZ2 3.69Å; I793-W824 HydrophobicContact CB-CH2 4.47Å; I793-W824 HydrophobicContact CD1-CH2 3.73Å; I793-W824 HydrophobicContact CD1-CZ3 3.82Å; I793-W824 HydrophobicContact CG1-CH2 3.99Å; F822-W824 VanDerWaalsContact O-CD1 3.29Å; F822-W824 PolarHBondContact O-N 3.18Å; W824-Y826 HydrophobicContact CB-CD2 4.07Å; W824-Y826 HydrophobicContact CB-CE1 4.18Å; W824-Y826 HydrophobicContact CB-CE2 3.42Å; W824-Y826 VanDerWaalsContact CB-CE2 3.42Å; W824-Y826 VanDerWaalsContact CB-CZ 3.46Å; W824-Y826 HydrophobicContact CG-CE2 4.35Å; W824-Y826 WeakPolarHBondContact O-CD2 2.97Å; W824-Y826 WeakPolarHBondContact O-CE2 3.16Å; W824-Y826 PolarHBondContact O-N 3.03Å; W824-Y826 VanDerWaalsContact O-N 3.13Å; W824-P1049 HydrophobicContact CE3-CB 3.86Å; W824-P1049 HydrophobicContact CE3-CG 3.73Å; W824-P1049 HydrophobicContact CZ3-CB 4.16Å; W824-P1049 HydrophobicContact CZ3-CG 3.98Å; W824-N1176 PolarHBondContact O-ND2 3.4Å
825N43.1Very low49.9Very low71 Ų7182 Ų8238%0.3843%0.432SS..  trans-64.5113.4166.9-82.8-26.7000108N823 T1050 N1176N823-N825 VanDerWaalsContact C-N 3.33Å; N823-N825 PolarHBondContact O-N 3.34Å; N825-T1050 WeakPolarHBondContact CB-OG1 3.29Å; N825-T1050 PolarHBondContact O-N 3.35Å; N825-T1050 PolarHBondContact O-OG1 3.01Å; N825-T1050 VanDerWaalsContact O-OG1 3.11Å; N825-N1176 WeakPolarHBondContact CA-ND2 3.49Å; N825-N1176 PolarHBondContact OD1-ND2 3.03Å
826Y54.3Low52.8Low44 Ų4478.5 Ų78.517%0.17340%0.404CS..EExtended strand (participates in β ladder)trans-97.9127.7-179.8-70.8-74.2000110.3W824 L1047 H1048 P1049 P1175W824-Y826 HydrophobicContact CB-CD2 4.07Å; W824-Y826 HydrophobicContact CB-CE1 4.18Å; W824-Y826 HydrophobicContact CB-CE2 3.42Å; W824-Y826 VanDerWaalsContact CB-CE2 3.42Å; W824-Y826 VanDerWaalsContact CB-CZ 3.46Å; W824-Y826 HydrophobicContact CG-CE2 4.35Å; W824-Y826 WeakPolarHBondContact O-CD2 2.97Å; W824-Y826 WeakPolarHBondContact O-CE2 3.16Å; W824-Y826 PolarHBondContact O-N 3.03Å; W824-Y826 VanDerWaalsContact O-N 3.13Å; Y826-L1047 HydrophobicContact CD1-CB 4.1Å; Y826-L1047 HydrophobicContact CG-CB 4.38Å; Y826-H1048 CarbonylContact C-O 3.43Å; Y826-H1048 WeakPolarHBondContact CA-O 3.39Å; Y826-P1049 HydrophobicContact CD1-CG 4.5Å; Y826-P1049 HydrophobicContact CE1-CG 4.06Å; Y826-P1175 HydrophobicContact CD2-CB 4.17Å
827Q58.9Low55.8Low117 Ų11772.1 Ų72.155%0.54737%0.374SS..EExtended strand (participates in β ladder)trans-79.1129.2159.3-98173.95.100109.1H1048 T1050Q827-H1048 PolarHBondContact N-O 3.25Å; Q827-H1048 PolarHBondContact O-N 3.21Å; Q827-T1050 HydrophobicContact CB-CG2 4.03Å; Q827-T1050 HydrophobicContact CG-CG2 3.61Å
828S67.2Low58.9Low13 Ų1370 Ų709%0.09136%0.359CS..EExtended strand (participates in β ladder)trans-114.9110.8-170.460.80000111.1I1046S828-I1046 WeakPolarHBondContact CA-O 3.35Å
829N73.8Confident61.8Low71 Ų7167.1 Ų67.138%0.3834%0.337SS..EExtended strand (participates in β ladder)trans-121.9117.7-179.7-76.2-34.1000110.9I1046N829-I1046 PolarHBondContact N-O 3.25Å; N829-I1046 PolarHBondContact O-N 3.46Å
830S78.3Confident64.7Low42 Ų4263.7 Ų63.729%0.29432%0.322SS..EExtended strand (participates in β ladder)trans-68.2147.6166.461.50000111.1G1044 L1168S830-G1044 WeakPolarHBondContact CA-O 3.16Å; S830-L1168 VanDerWaalsContact CB-O 3.27Å; S830-L1168 WeakPolarHBondContact CB-O 3.37Å; S830-L1168 PolarHBondContact OG-O 2.66Å
831F83.6Confident67.3Low16 Ų1658.2 Ų58.27%0.0730%0.3CS..EExtended strand (participates in β ladder)trans-133.5154164.771.7-86.6000112.1T1011 F1015 I1023 L1026 T1043 G1044 I1046F831-T1011 HydrophobicContact CE2-CG2 4.33Å; F831-F1015 HydrophobicContact CB-CZ 3.95Å; F831-F1015 AromaticContact CD1-CE2 3.93Å; F831-F1015 HydrophobicContact CD1-CE2 3.93Å; F831-F1015 AromaticContact CD1-CZ 3.85Å; F831-F1015 HydrophobicContact CD1-CZ 3.85Å; F831-F1015 HydrophobicContact CD2-CE2 4.14Å; F831-F1015 AromaticContact CD2-CZ 3.98Å; F831-F1015 HydrophobicContact CD2-CZ 3.98Å; F831-F1015 AromaticContact CE1-CE2 3.94Å; F831-F1015 HydrophobicContact CE1-CE2 3.94Å; F831-F1015 HydrophobicContact CE1-CZ 4.34Å; F831-F1015 HydrophobicContact CE2-CE2 4.17Å; F831-F1015 HydrophobicContact CE2-CZ 4.47Å; F831-F1015 HydrophobicContact CG-CE2 4.02Å; F831-F1015 AromaticContact CG-CZ 3.64Å; F831-F1015 HydrophobicContact CG-CZ 3.64Å; F831-F1015 HydrophobicContact CZ-CE2 4.06Å; F831-I1023 HydrophobicContact CE1-CD1 4.31Å; F831-I1023 HydrophobicContact CE1-CG2 3.73Å; F831-I1023 HydrophobicContact CZ-CG2 4.05Å; F831-L1026 HydrophobicContact CZ-CD1 3.82Å; F831-T1043 WeakPolarHBondContact O-CA 3.32Å; F831-G1044 WeakPolarHBondContact CD1-O 3.37Å; F831-G1044 PolarHBondContact N-O 2.88Å; F831-G1044 PolarHBondContact O-N 3.43Å; F831-I1046 HydrophobicContact CD1-CD1 3.71Å; F831-I1046 HydrophobicContact CD1-CG1 3.84Å; F831-I1046 HydrophobicContact CE1-CD1 4.37Å; F831-I1046 HydrophobicContact CE1-CG1 4.08Å; F831-I1046 HydrophobicContact CG-CD1 4.46Å
832I79.9Confident69.7Low27 Ų2754.2 Ų54.214%0.13828%0.276CS..EExtended strand (participates in β ladder)trans-121.5138.9160.1-52.9-177.6000106.8I1041 A1042 T1043 L1211 Y1233 L1235I832-I1041 HydrophobicContact CG2-CG2 4.06Å; I832-A1042 WeakPolarHBondContact CA-O 3.19Å; I832-T1043 HydrophobicContact CB-CG2 4.5Å; I832-T1043 HydrophobicContact CG1-CG2 4.06Å; I832-T1043 HydrophobicContact CG2-CG2 4.16Å; I832-L1211 HydrophobicContact CD1-CD1 4.4Å; I832-L1211 HydrophobicContact CD1-CD2 4.13Å; I832-L1211 HydrophobicContact CG2-CD1 3.95Å; I832-Y1233 HydrophobicContact CD1-CE1 4.15Å; I832-L1235 HydrophobicContact CD1-CD2 4.36Å
833R83Confident71.9Confident23 Ų2349 Ų499%0.08725%0.254CS..EExtended strand (participates in β ladder)trans-128.5125.8168.2-173.2179.8-163.2132.114.4109.7F1007 L1010 T1011 I1041 A1042R833-F1007 HydrophobicContact CB-CE2 4.26Å; R833-F1007 HydrophobicContact CB-CZ 4.05Å; R833-F1007 HydrophobicContact CG-CE2 3.75Å; R833-F1007 HydrophobicContact CG-CZ 4.03Å; R833-L1010 PolarHBondContact NH1-O 3.43Å; R833-T1011 WeakPolarHBondContact CD-OG1 3.09Å; R833-T1011 VanDerWaalsContact NH1-CA 3.26Å; R833-T1011 PolarHBondContact NH1-OG1 3.49Å; R833-I1041 CarbonylContact O-C 3.54Å; R833-I1041 VanDerWaalsContact O-CA 3.3Å; R833-I1041 WeakPolarHBondContact O-CA 3.2Å; R833-A1042 PolarHBondContact N-O 3.15Å; R833-A1042 PolarHBondContact O-N 3.43Å
834V81.4Confident73.3Confident22 Ų2245.4 Ų45.413%0.13324%0.237CC..EExtended strand (participates in β ladder)trans-102.8141.5165.2-173.60000108.4Q1039 I1040 I1041 L1207 L1211V834-Q1039 HydrophobicContact CG1-CG 3.84Å; V834-I1040 CarbonylContact C-O 3.29Å; V834-I1041 HydrophobicContact CG1-CG1 4.38Å; V834-I1041 HydrophobicContact CG2-CD1 4.48Å; V834-I1041 HydrophobicContact CG2-CG1 4.23Å; V834-I1041 HydrophobicContact CG2-CG2 4.47Å; V834-L1207 HydrophobicContact CG1-CD1 4.1Å; V834-L1211 HydrophobicContact CG2-CD1 4.26Å
835H83.4Confident74.1Confident45 Ų4544.1 Ų44.121%0.20823%0.233CC..EExtended strand (participates in β ladder)trans-143.3149.1169.8175.653.5000108.8F1007 Q1039 I1040H835-F1007 HydrophobicContact CB-CD2 3.39Å; H835-F1007 HydrophobicContact CB-CE2 3.62Å; H835-F1007 AromaticContact CD2-CD2 3.91Å; H835-F1007 AromaticContact CG-CD2 3.93Å; H835-Q1039 WeakPolarHBondContact O-CA 3.15Å; H835-I1040 PolarHBondContact N-O 2.98Å; H835-I1040 PolarHBondContact O-N 2.89Å
836E82.3Confident74.2Confident35 Ų3545.8 Ų45.816%0.16424%0.238CC..EExtended strand (participates in β ladder)trans-133.7145.9177.3-72.1178.8-161.400109.6I1038 Q1039 I1203 R1242E836-I1038 WeakPolarHBondContact CA-O 3.42Å; E836-Q1039 HydrophobicContact CG-CB 3.91Å; E836-Q1039 HydrophobicContact CG-CG 3.85Å; E836-Q1039 PolarHBondContact OE1-NE2 2.94Å; E836-I1203 WeakPolarHBondContact OE1-CG2 3.09Å; E836-I1203 WeakPolarHBondContact OE2-CG2 3.43Å; E836-R1242 IonicContact OE2-NH2 2.75Å
837T84.9Confident73.3Confident20 Ų2049.7 Ų49.712%0.12326%0.258CS..EExtended strand (participates in β ladder)trans-156.1145.7176.1-170.10000111.1L839 N998 A1003 I1038T837-L839 HydrophobicContact CG2-CD2 4.34Å; T837-N998 PolarHBondContact OG1-ND2 3.46Å; T837-A1003 HydrophobicContact CG2-CB 3.56Å; T837-I1038 HydrophobicContact CG2-CG2 4.01Å; T837-I1038 PolarHBondContact N-O 3.4Å; T837-I1038 VanDerWaalsContact N-O 3.1Å; T837-I1038 PolarHBondContact O-N 3.21Å
838E85Confident72Confident107 Ų10750 Ų5050%0.527%0.268SS..  trans-72.9126.7172.3-168.6-173.3149.200109.1T840 N998E838-T840 HydrophobicContact CG-CG2 4.18Å; E838-N998 WeakPolarHBondContact O-CB 3.38Å; E838-N998 PolarHBondContact O-ND2 2.98Å
839L84.1Confident69.8Low20 Ų2054.5 Ų54.511%0.10530%0.299CS..  trans-95.2121.1173.6-65.6-170.9000109.8M617 T837 L1000 A1003 F1032 I1038M617-L839 HydrophobicContact CE-CB 3.75Å; M617-L839 HydrophobicContact CE-CD1 4.19Å; T837-L839 HydrophobicContact CG2-CD2 4.34Å; L839-L1000 HydrophobicContact CD1-CB 4.32Å; L839-A1003 HydrophobicContact CD2-CB 4.45Å; L839-F1032 HydrophobicContact CD1-CE1 4.42Å; L839-I1038 HydrophobicContact CD1-CB 4.04Å; L839-I1038 HydrophobicContact CD1-CD1 3.8Å; L839-I1038 HydrophobicContact CD1-CG2 3.86Å; L839-I1038 HydrophobicContact CD2-CG2 3.94Å; L839-I1038 HydrophobicContact CG-CB 4.11Å; L839-I1038 HydrophobicContact CG-CG2 3.68Å
840T82.9Confident67.6Low77 Ų7759 Ų5947%0.47232%0.321SS..  trans-114.9-4.8-176.755.40000113.8E838 N998E838-T840 HydrophobicContact CG-CG2 4.18Å; T840-N998 PolarHBondContact N-O 2.83Å; T840-N998 PolarHBondContact OG1-N 3.46Å
841V80.7Confident65.1Low56 Ų5666.5 Ų66.534%0.33934%0.344SS..SBendtrans-145.5132.1176.3-166.60000110.1N998 S999V841-N998 PolarHBondContact N-O 3.22Å; V841-S999 WeakPolarHBondContact O-CA 3.37Å; V841-S999 WeakPolarHBondContact O-CB 3.33Å
842P78.6Confident62.3Low36 Ų3670.2 Ų70.223%0.23437%0.372CS..  trans-67161.4170.429-34.6000112C562 M617 S844C562-P842 WeakPolarHBondContact O-CB 3.4Å; M617-P842 HydrophobicContact SD-CB 4.3Å; P842-S844 PolarHBondContact O-N 3Å
843D76.6Confident59.6Low17 Ų1772.7 Ų72.79%0.09139%0.389CS..  trans-88.735.7178.5-103.930.7000110.5C562 R591 S999 G1001C562-D843 HydrophobicContact CB-CB 4.07Å; C562-D843 PolarHBondContact O-N 3.38Å; R591-D843 IonicContact NH1-OD2 3.38Å; R591-D843 PolarHBondContact NH1-OD2 3.07Å; R591-D843 PolarHBondContact NH2-O 3.11Å; D843-S999 WeakPolarHBondContact OD1-CB 3.34Å; D843-S999 PolarHBondContact OD1-OG 2.99Å; D843-G1001 PolarHBondContact OD1-N 2.87Å; D843-G1001 VanDerWaalsContact OD1-N 3.1Å; D843-G1001 PolarHBondContact OD2-N 2.92Å
844S58.2Low56.9Low31 Ų3178.7 Ų78.722%0.21742%0.423CS..  trans-80131.7-172.557.90000113.8P842 E847P842-S844 PolarHBondContact O-N 3Å; S844-E847 VanDerWaalsContact CB-OE2 3.23Å; S844-E847 WeakPolarHBondContact CB-OE2 3.42Å; S844-E847 PolarHBondContact OG-OE2 3.21Å
845F55.1Low54.3Low36 Ų3686.8 Ų86.816%0.15845%0.452CS..SBendtrans-90.9-30.5170.6-70.3-45000113.2E587 R591 E762 V765 E847 T848E587-F845 VanDerWaalsContact OE1-CD2 3.32Å; E587-F845 WeakPolarHBondContact OE1-CD2 3.39Å; R591-F845 HydrophobicContact CG-CE2 4.46Å; E762-F845 HydrophobicContact CB-CE1 4.13Å; E762-F845 HydrophobicContact CB-CE2 4.31Å; E762-F845 HydrophobicContact CB-CZ 4.02Å; E762-F845 HydrophobicContact CG-CB 4.46Å; E762-F845 HydrophobicContact CG-CD1 3.85Å; E762-F845 HydrophobicContact CG-CD2 3.98Å; E762-F845 HydrophobicContact CG-CE1 3.95Å; E762-F845 HydrophobicContact CG-CE2 4.06Å; E762-F845 HydrophobicContact CG-CG 3.88Å; E762-F845 HydrophobicContact CG-CZ 4.05Å; V765-F845 HydrophobicContact CB-CE1 4.18Å; V765-F845 HydrophobicContact CB-CZ 4.42Å; V765-F845 HydrophobicContact CG1-CE1 4.3Å; V765-F845 HydrophobicContact CG1-CZ 4.33Å; V765-F845 HydrophobicContact CG2-CE1 4.28Å; F845-E847 PolarHBondContact O-N 2.82Å; F845-T848 PolarHBondContact O-OG1 3.03Å
846F47.1Very low51.4Low106 Ų10692 Ų9247%0.46548%0.482SS..THydrogen-bonded Turntrans-88.7-2.2-163.2-62.5-85.1000115.6
847E34.9Very low48.8Very low127 Ų12797 Ų9759%0.59352%0.515SS*.THydrogen-bonded Turntrans-95.7-15-177-68.3177.4110.500113.6S844 F845 S849S844-E847 VanDerWaalsContact CB-OE2 3.23Å; S844-E847 WeakPolarHBondContact CB-OE2 3.42Å; S844-E847 PolarHBondContact OG-OE2 3.21Å; F845-E847 PolarHBondContact O-N 2.82Å; E847-S849 PolarHBondContact O-N 2.77Å
848T30.2Very low45.9Very low124 Ų124102.3 Ų102.376%0.76155%0.547SS*.  trans-91.670-175.331.50000113.7F845F845-T848 PolarHBondContact O-OG1 3.03Å
849S21.9Very low43.1Very low106 Ų106102.3 Ų102.374%0.74156%0.556SS**  trans-109.561172.356.80000113.3E847E847-S849 PolarHBondContact O-N 2.77Å
850I27.3Very low40.2Very low165 Ų165107.2 Ų107.285%0.84659%0.587SS**  trans-130.3141.7170.9-59.7-177.6000109.7
851Y25.4Very low37.4Very low201 Ų201112.6 Ų112.679%0.78860%0.604SS**  trans-74145.8-158.8-70.8-98000116.9
852S24.6Very low34.6Very low94 Ų94115 Ų11566%0.65762%0.619SS**  trans62.3110.1139.9660000121
853T24.3Very low32Very low79 Ų79118.6 Ų118.649%0.48564%0.642SS.*  51.7117.1129.4610000120.7
854N26.1Very low29.6Very low149 Ų149123.3 Ų123.380%0.79767%0.672SS**  -163.1120.2111.2-100-20000111.2
855Y26.1Very low27.9Very low191 Ų191132.4 Ų132.475%0.74970%0.703SS**  trans-98.3102179.8-88.5-75.6000111.7
856N23.4Very low26.5Very low156 Ų156141 Ų14183%0.83474%0.736SS**  trans-156.588.2159.5-103.6-41000112.8
857T28.1Very low25.4Very low140 Ų140145.3 Ų145.386%0.85976%0.755SS**  trans-163.5114.7158.3-3.50000110.5P859T857-P859 WeakPolarHBondContact O-CD 3.47Å
858T23.2Very low24.8Very low130 Ų130148 Ų14880%0.79877%0.767SS**  trans-89.8113.7171.8480000110.2V860T858-V860 PolarHBondContact O-N 3.11Å
859P26.1Very low24.6Very low107 Ų107147.7 Ų147.770%0.69577%0.77SS**  trans-73.1109.6172.829.1-32.4000109.8T857 F861T857-P859 WeakPolarHBondContact O-CD 3.47Å; P859-F861 PolarHBondContact O-N 3.33Å; P859-F861 VanDerWaalsContact O-N 3.08Å
860V22.8Very low24.6Very low123 Ų123149.5 Ų149.575%0.74577%0.771SS**  trans-73.498.8174.2179.50000109.1T858 T862T858-V860 PolarHBondContact O-N 3.11Å; V860-T862 HydrophobicContact CG1-CG2 4.37Å; V860-T862 PolarHBondContact O-N 3.15Å
861F24Very low24.5Very low190 Ų190150.1 Ų150.183%0.83377%0.77SS**  trans-73.4105.2167.7-91.9-89.1000109.9P859P859-F861 PolarHBondContact O-N 3.33Å; P859-F861 VanDerWaalsContact O-N 3.08Å
862T23.7Very low24.4Very low107 Ų107147 Ų14766%0.65677%0.767SS**  trans-78.3125.6169.542.20000110.2V860 T864V860-T862 HydrophobicContact CG1-CG2 4.37Å; V860-T862 PolarHBondContact O-N 3.15Å; T862-T864 PolarHBondContact O-N 2.79Å; T862-T864 VanDerWaalsContact O-N 3.17Å
863P22.9Very low24.4Very low111 Ų111149.2 Ų149.272%0.72177%0.77SS**  trans-76.2105.2177.429.6-33000110.2Y865P863-Y865 PolarHBondContact O-N 2.58Å; P863-Y865 VanDerWaalsContact O-N 3.08Å
864T26.4Very low24.4Very low116 Ų116150.3 Ų150.371%0.71277%0.773SS**  trans-74.796173.336.30000110.7T862 Y866T862-T864 PolarHBondContact O-N 2.79Å; T862-T864 VanDerWaalsContact O-N 3.17Å; T864-Y866 PolarHBondContact O-N 3.07Å
865Y22.6Very low24.3Very low222 Ų222146.9 Ų146.987%0.87176%0.758SS**  trans-50.8110.2169.9-89.7-98.3000111.4P863P863-Y865 PolarHBondContact O-N 2.58Å; P863-Y865 VanDerWaalsContact O-N 3.08Å
866Y25.7Very low24.3Very low216 Ų216141.5 Ų141.585%0.84775%0.745SS**PPolyproline II helixtrans-90.4116.6158.9-93.9-92.8000108.6T864T864-Y866 PolarHBondContact O-N 3.07Å
867K24.2Very low24.4Very low197 Ų197140.1 Ų140.186%0.85774%0.736SS**PPolyproline II helixtrans-69.2145.9172.6-90.6-171.7169.4-1730110.8
868E22.3Very low24.2Very low185 Ų185138.6 Ų138.686%0.86473%0.727SS**PPolyproline II helixtrans-64.7140.6174.3-60.7159118.600111.3
869S25.2Very low24.3Very low117 Ų117137 Ų13782%0.81872%0.717SS**  trans-151.995.1159.459.60000107.8
870N23.3Very low24.2Very low143 Ų143135.9 Ų135.977%0.76571%0.711SS**  trans-65.5135.1177.5-65.2-36.3000110.4
871H23.6Very low24.4Very low179 Ų179136.9 Ų136.983%0.82971%0.712SS**  trans-175.4146.4140.8-102.4-62000113.1
872L24.3Very low24.4Very low135 Ų135132 Ų13271%0.70770%0.702SS**  trans66113.5160.2-85.286.2000121.3
873L24Very low24.5Very low141 Ų141131.1 Ų131.174%0.73871%0.705SS**  63155.1116.3-96.574.8000122.8
874N23.7Very low24.5Very low101 Ų101131.9 Ų131.954%0.5471%0.707SS.*  trans-58.3131170.7-63.2-21.8000112.4
875T25.4Very low24.5Very low78 Ų78131.7 Ų131.748%0.47971%0.706SS.*  trans-176.3166.613619.50000111.2I877 I1158T875-I877 VanDerWaalsContact C-N 3.32Å; T875-I877 PolarHBondContact O-N 3.46Å; T875-I1158 HydrophobicContact CG2-CG2 3.92Å
876T24.8Very low24.5Very low78 Ų78126.6 Ų126.648%0.47970%0.698SS.*  trans-76.174-177.7-48.40000111.9
877I26.6Very low24.4Very low127 Ų127122.5 Ų122.565%0.65170%0.696SS**  trans-86.8136.8-175.5-63.6178.4000112.8T875T875-I877 VanDerWaalsContact C-N 3.32Å; T875-I877 PolarHBondContact O-N 3.46Å
878V24.1Very low24.4Very low108 Ų108118.6 Ų118.666%0.65569%0.688SS**  trans-64.8137.1-174.8174.90000112.8
879T24.8Very low24.4Very low97 Ų97115.2 Ų115.260%0.59569%0.685SS**  trans-130.763.4164.435.70000111.2L881T879-L881 PolarHBondContact O-N 2.8Å; T879-L881 VanDerWaalsContact O-N 3.08Å
880S24.8Very low24.4Very low83 Ų83114 Ų11458%0.5868%0.676SS**  trans-7389166.556.30000109.9S882S880-S882 PolarHBondContact O-N 2.75Å
881L25.1Very low24.4Very low143 Ų143116.3 Ų116.375%0.74969%0.685SS**  trans-7671.2166.6-86.3163.4000109.6T879 A883 L1010T879-L881 PolarHBondContact O-N 2.8Å; T879-L881 VanDerWaalsContact O-N 3.08Å; L881-A883 PolarHBondContact O-N 2.98Å; L881-L1010 HydrophobicContact CD1-CD1 4.37Å; L881-L1010 HydrophobicContact CD1-CD2 3.97Å
882S25.5Very low24.5Very low89 Ų89117.1 Ų117.162%0.62269%0.686SS**  trans-71.1119.8168.443.30000109.4S880 T884S880-S882 PolarHBondContact O-N 2.75Å; S882-T884 PolarHBondContact O-N 3.13Å; S882-T884 VanDerWaalsContact O-N 3.11Å
883A24.6Very low24.5Very low87 Ų87115.6 Ų115.672%0.71969%0.687SS**  trans-63.3112.7166.100000108L881 T885L881-A883 PolarHBondContact O-N 2.98Å; A883-T885 PolarHBondContact O-N 2.97Å
884T23.6Very low24.6Very low127 Ų127116.9 Ų116.978%0.77969%0.689SS**  trans-7767177.1540000110.4S882 T886S882-T884 PolarHBondContact O-N 3.13Å; S882-T884 VanDerWaalsContact O-N 3.11Å; T884-T886 PolarHBondContact O-N 3.24Å
885T25.6Very low24.7Very low112 Ų112119.4 Ų119.469%0.68770%0.701SS**  trans-68.596.8172.7-50.30000108.2A883 V887A883-T885 PolarHBondContact O-N 2.97Å; T885-V887 PolarHBondContact O-N 2.66Å
886T23.8Very low24.8Very low115 Ų115120.8 Ų120.871%0.70671%0.714SS**  trans-70.391.8179.350.10000110.1T884 T888T884-T886 PolarHBondContact O-N 3.24Å; T886-T888 PolarHBondContact O-N 2.95Å
887V22.6Very low24.7Very low130 Ų130123 Ų12379%0.78873%0.727SS**  trans-7176171.9-174.40000109.3T885 S889T885-V887 PolarHBondContact O-N 2.66Å; V887-S889 PolarHBondContact O-N 2.91Å; V887-S889 VanDerWaalsContact O-N 3.1Å
888T24.7Very low24.8Very low115 Ų115125.7 Ų125.771%0.70674%0.737SS**  trans-75.493.4167.251.10000108.8T886 S890T886-T888 PolarHBondContact O-N 2.95Å; T888-S890 PolarHBondContact O-N 2.76Å
889S22.7Very low24.8Very low115 Ų115127.4 Ų127.480%0.80474%0.743SS**  trans-55.1111.5169.555.90000110.3V887V887-S889 PolarHBondContact O-N 2.91Å; V887-S889 VanDerWaalsContact O-N 3.1Å
890S25.4Very low24.9Very low90 Ų90132.2 Ų132.263%0.62975%0.751SS**  trans-135.796.2164.9670000110.8T888 K892T888-S890 PolarHBondContact O-N 2.76Å; S890-K892 PolarHBondContact O-N 3.31Å
891M23.4Very low25.1Very low193 Ų193135.3 Ų135.395%0.95176%0.756SS**  trans-58.2129.8156-71.8176.3139.100108.2
892K24.2Very low25.1Very low195 Ų195135.1 Ų135.185%0.84876%0.756SS**  trans-137.490.1167.8-83.9-168.3173.8178.70111.3S890S890-K892 PolarHBondContact O-N 3.31Å
893S24.3Very low25.1Very low104 Ų104138.2 Ų138.273%0.72777%0.765SS**  trans-102.3101.4157.453.90000109.5
894H26.2Very low25.1Very low168 Ų168139.2 Ų139.278%0.77876%0.762SS**  trans62.6138.7153.1-75.8-93.4000122
895I27Very low25.3Very low153 Ų153141.2 Ų141.279%0.78576%0.762SS**  trans70131.1146.8-65.5163.8000116.1
896S26.2Very low25.3Very low107 Ų107140 Ų14075%0.74876%0.759SS**  cis-156.4172.7-9.245.40000111.5
897T24.2Very low25.4Very low124 Ų124141.7 Ų141.776%0.76176%0.763SS**  trans-76.3140.3-179.651.10000114.5
898Q28.1Very low25.6Very low185 Ų185141.4 Ų141.486%0.86477%0.767SS**  179.6161.4106.6-95.3-176.47.900112
899N23.2Very low25.8Very low144 Ų144139.1 Ų139.177%0.7777%0.766SS**  trans-97.1157.2174.5-65.5-42.8000110.4
900Y28.1Very low26.1Very low197 Ų197141.6 Ų141.677%0.77377%0.769SS**  178.3134.1110.4-111-101.4000113.6
901Q28.5Very low26.1Very low148 Ų148145.1 Ų145.169%0.69278%0.78SS**  trans41123.8151.3-70.6175.4-13.800123.8
902N24.6Very low26.1Very low139 Ų139142.6 Ų142.674%0.74377%0.769SS**  40.9129.6123.3-53.3-9.1000119.7
903L26.7Very low26.2Very low155 Ų155138.7 Ų138.781%0.81276%0.758SS**  cis-160.7165.749.1-102.2114000114.3
904T23.7Very low26.2Very low108 Ų108142.6 Ų142.666%0.66376%0.762SS**  trans-24.9137.8163.953.50000117.6
905H28Very low26.8Very low168 Ų168139.6 Ų139.678%0.77876%0.758SS**  -171.8139.482.3-123.3-90.6000116.4
906S24.8Very low26.7Very low87 Ų87141.4 Ų141.461%0.60876%0.763SS**  trans41.1128.2145.257.60000125.9
907N25.9Very low27Very low150 Ų150142.7 Ų142.780%0.80277%0.766SS**  trans114.1123.7130.9-71.2-12.2000124
908S27.4Very low27.4Very low125 Ų125142 Ų14287%0.87476%0.763SS**  trans82141.2139.566.50000123.7
909G28.6Very low27.3Very low66 Ų66138.7 Ų138.768%0.6876%0.756SS**  trans97.9105.6177.700000113.8
910I28.8Very low27.5Very low168 Ų168138 Ų13886%0.86276%0.758SS**  cis69.3128.330.3-50.9177.7000113.1
911L26.8Very low27.5Very low163 Ų163139.4 Ų139.485%0.85376%0.762SS**  cis-167.4157.6-24.9-169.183.2000106.9
912L22.7Very low27.4Very low140 Ų140138.2 Ų138.273%0.73376%0.76SS**  trans-86.1152.9173.7-84.4168.4000115
913N25.5Very low27.7Very low113 Ų113137.9 Ų137.960%0.60476%0.758SS**  trans86.6143.4135.8-81.9-4.7000125.5
914F25.5Very low27.9Very low186 Ų186136.6 Ų136.682%0.81675%0.752SS**  trans94.9153.2137.5-77.2-33.4000122.2
915P39.4Very low28.4Very low106 Ų106137.6 Ų137.669%0.68875%0.752SS**  trans-137.3-146.5-134.846.4-26.4000114.2
916Q25Very low28.4Very low191 Ų191136 Ų13689%0.89375%0.749SS**  trans116.3147.5164.4-63.6-172-46.500115.8
917T31.6Very low28.6Very low133 Ų133138.6 Ų138.682%0.81676%0.756SS**  trans-104.5165.8-17853.60000110.9
918P33.1Very low28.8Very low109 Ų109136.4 Ų136.471%0.70875%0.753SS**  -155.7161.9102.239.5-20.7000118.8
919T25.9Very low28.7Very low116 Ų116135.3 Ų135.371%0.71275%0.745SS**  trans66.1121144.6480000125.1
920T26.1Very low28.5Very low131 Ų131136.9 Ų136.980%0.80475%0.746SS**  trans63.1120.714059.60000120.4
921R28.3Very low28.3Very low226 Ų226136 Ų13685%0.85374%0.742SS**  -166.8143.675.9-124.4-179.3172.6159.2-1115
922N28Very low28.4Very low123 Ų123138.2 Ų138.266%0.65874%0.741SS**  trans54.3135.6144-74.432.8000124.9
923N30.3Very low28.6Very low132 Ų132140.4 Ų140.471%0.70674%0.741SS**  trans71.8135.8147.9-59.910.2000117.1
924N31.3Very low28.7Very low128 Ų128144.7 Ų144.768%0.68475%0.75SS**  cis-163.8157.224.6-121-3.3000114.1
925I32.9Very low28.5Very low128 Ų128142.6 Ų142.666%0.65675%0.747SS**  trans70.6100.4142.8-61.6166.5000121.1
926N28.7Very low27.9Very low135 Ų135146.9 Ų146.972%0.72275%0.751SS**  59.3137.6119.5-52.7-3.1000126.2
927N29.2Very low27.9Very low141 Ų141146.3 Ų146.375%0.75474%0.742SS**  trans88.6137.6134.1-75.84.6000123.6
928S29.1Very low27.6Very low105 Ų105149.9 Ų149.973%0.73474%0.742SS**  trans53.7144.4145.854.30000121
929S25.6Very low27.1Very low101 Ų101148.8 Ų148.871%0.70674%0.737SS**  cis152.8142.1-22.951.30000108.1
930S25.4Very low27.1Very low100 Ų100149 Ų14970%0.69974%0.738SS**  trans60.7115.7160.558.80000121.6
931N23.8Very low27.2Very low148 Ų148149.3 Ų149.379%0.79174%0.735SS**  trans39139.7130.4-53.6-2.8000122.3
932Y28.4Very low27.1Very low210 Ų210142.6 Ų142.682%0.82472%0.723SS**  -175.8114.9125.3-103.9-72.1000113.2
933Y27Very low27.2Very low186 Ų186145 Ų14573%0.72973%0.73SS**  trans52166.4151.9-82.2-112.2000120.2
934Y27.6Very low27.2Very low204 Ų204145.2 Ų145.280%0.873%0.727SS**  cis-142.8161.212.6-128.5-69.6000111.4
935D21.8Very low27.1Very low141 Ų141146.4 Ų146.475%0.75473%0.73SS**  trans-100.3177.2173.4-91.5-57.6000114.3
936Y26Very low26.9Very low197 Ų197145.1 Ų145.177%0.77373%0.728SS**  trans10099.2157.9-77.9-91.6000122.7
937Y25.3Very low27Very low179 Ų179144.2 Ų144.270%0.70273%0.728SS**  61.6146.5119.1-88.2-94.1000125.2
938Y26.7Very low27.1Very low208 Ų208142.9 Ų142.982%0.81673%0.725SS**  trans66.7152.2162.3-67.8-62.8000118
939S22.8Very low27Very low86 Ų86143.4 Ų143.460%0.60172%0.724SS**  cis-173.7159.4-31.8-136.80000110.6
940T24.8Very low27.1Very low120 Ų120145.4 Ų145.474%0.73673%0.726SS**  trans62.7165.9155.354.10000118
941N28.3Very low27.2Very low138 Ų138145.8 Ų145.874%0.73872%0.724SS**  cis-162.5175.7-7.8-112.48.1000108.6
942S26.5Very low27.2Very low85 Ų85143.7 Ų143.759%0.59472%0.721SS**  cis-179.393.4-41.358.50000111.2
943E29.2Very low27Very low174 Ų174138 Ų13881%0.81371%0.712SS**  trans-143.5144.1177.3-80.3-165.3146.100111.7
944Q30.5Very low26.8Very low136 Ų136135.5 Ų135.564%0.63672%0.716SS**  cis-166.2156.3-18.6-122.5-172.599.800104.7
945M29.2Very low26.6Very low153 Ų153130.3 Ų130.375%0.75471%0.71SS**  cis-148.8171.217.6-85.6-167.9169.400107.5
946T30.1Very low26.6Very low100 Ų100129 Ų12961%0.61371%0.707SS**  cis-169.3161.3-13.432.10000109.1
947T30.6Very low26.5Very low117 Ų117128.3 Ų128.372%0.71871%0.708SS**  trans57.9132.4145.854.90000121.4
948T29.6Very low26.4Very low112 Ų112126.4 Ų126.469%0.68771%0.709SS**  cis-170.4132.11.512.80000112.8
949T28.7Very low26.2Very low116 Ų116121.8 Ų121.871%0.71271%0.707SS**  trans51.9149.1134.962.70000122.9
950L27.5Very low26.4Very low144 Ų144122.9 Ų122.975%0.75472%0.715SS**  cis-167154.7-4.1-110.6167.1000112.2
951T26Very low26.8Very low107 Ų107122.4 Ų122.466%0.65671%0.714SS**  trans20.5127.2152.647.90000122.5
952S24.6Very low26.6Very low104 Ų104121 Ų12173%0.72771%0.714SS**  79.8153.47299.20000114.5
953S24.1Very low26.7Very low91 Ų91122.9 Ų122.964%0.63673%0.728SS**  cis-174.5150-332.20000111.2
954T23.3Very low26.5Very low134 Ų134119.8 Ų119.882%0.82273%0.725SS**  trans57.5149156.548.10000120.1
955S23.1Very low26.7Very low95 Ų95118.4 Ų118.466%0.66473%0.728SS**  cis-168.9160.9-7.650.40000112.7
956T22.3Very low26.7Very low113 Ų113116 Ų11669%0.69373%0.727SS**  trans67.8134.9150.646.60000124.6
957F22.8Very low26.5Very low182 Ų182116.2 Ų116.280%0.79873%0.732SS**  trans92.5116.4143-74.6-48.5000124.7
958I22.7Very low26.4Very low139 Ų139118.7 Ų118.771%0.71374%0.741SS**  trans85.8128.6134.5-62.3167.3000121.5
959S23.2Very low26.1Very low112 Ų112118 Ų11878%0.78374%0.741SS**  trans79.4136153.565.10000122.6
960S27.2Very low26Very low109 Ų109120 Ų12076%0.76275%0.746SS**  trans-89.6179160.253.70000109.7
961P33.4Very low25.8Very low110 Ų110117.2 Ų117.271%0.71474%0.738SS**  cis-146.2175.320.443.4-22.5000119.5
962S24.4Very low25.8Very low107 Ų107119.1 Ų119.175%0.74874%0.743SS**  trans43.6118.7144.664.30000123.3
963S28.9Very low25.9Very low125 Ų125121.1 Ų121.187%0.87474%0.741SS**  -174.4147.1126.657.50000113.7
964S24.5Very low26Very low109 Ų109122.3 Ų122.376%0.76274%0.74SS**  trans-111.4-169.6163.262.40000108.8
965P35.2Very low26.1Very low107 Ų107122.1 Ų122.170%0.69573%0.734SS**  cis-140.5-161.21.944.7-25.2000115.1
966S28.1Very low26.4Very low104 Ų104124.4 Ų124.473%0.72774%0.739SS**  trans69.4140.5162.667.20000118.7
967S26.9Very low26.6Very low103 Ų103125.4 Ų125.472%0.7274%0.74SS**  cis119.9116.4-4.172.80000114.8
968N27.6Very low26.7Very low169 Ų169125.9 Ų125.990%0.90474%0.737SS**  trans-166.8172.6143.8-101.7-21.2000111.4
969S24.4Very low26.8Very low98 Ų98127.9 Ų127.969%0.68574%0.738SS**  trans-143.7-169-15059.30000115
970L26.2Very low26.9Very low159 Ų159128.2 Ų128.283%0.83273%0.73SS**  trans89.6146170.9-56.6149.3000116.8
971S23.3Very low26.8Very low84 Ų84130.9 Ų130.959%0.58773%0.731SS**  cis178.9-178.5-39.548.80000110.2
972I26.2Very low26.4Very low147 Ų147130 Ų13075%0.75473%0.727SS**  trans78.4132.4160.6-65.5162.1000115.6
973H26.7Very low26.5Very low147 Ų147131.5 Ų131.568%0.68173%0.726SS**  cis-160.6154.1-8.6-121.7-38.6000111.5
974N26.6Very low26.3Very low116 Ų116131.6 Ų131.662%0.6272%0.721SS**  trans50.1153.2141.9-64.43000122.4
975N23.9Very low26.2Very low130 Ų130136 Ų13670%0.69573%0.726SS**  cis-168.1155.1-21.7-110.7-2.5000110
976N29.2Very low25.6Very low142 Ų142136.4 Ų136.476%0.75973%0.727SS**  trans138.6129.5143.2-72.1-21.3000116.1
977N27.3Very low25.6Very low134 Ų134141.5 Ų141.572%0.71774%0.736SS**  trans42.2122.8148.3-53.6-17.3000120.6
978Y25.1Very low25.5Very low192 Ų192145.6 Ų145.675%0.75374%0.743SS**  58.7131.664.5-69.6-66.7000114
979Y25.1Very low25.4Very low182 Ų182146 Ų14671%0.71474%0.739SS**  cis-156.5153.212.4-135.9-60.1000111.6
980N24.9Very low25.5Very low118 Ų118148.5 Ų148.563%0.63175%0.745SS**  trans68.6146.9165.9-62.9-50.1000116.9
981Q26.1Very low25.4Very low165 Ų165146.3 Ų146.377%0.77174%0.739SS**  cis-167.9169.8-14.6-114.4-177.566.900106.2
982S24.8Very low25.6Very low91 Ų91149.1 Ų149.164%0.63675%0.746SS**  cis-164-176.9-2.651.10000106.7
983I24.7Very low25.6Very low140 Ų140149.7 Ų149.772%0.71875%0.746SS**  cis-143.2138.16.5-41.2160.4000108.2
984V25.9Very low25.8Very low127 Ų127148 Ų14877%0.7775%0.749SS**  trans-138.8132.9154.6176.30000107.9
985K21.5Very low26.2Very low200 Ų200149.4 Ų149.487%0.8776%0.755SS**  trans-99.3100.9176.9-78.4-173.8175.6-178.80111.1
986T23.9Very low27.1Very low117 Ų117150.1 Ų150.172%0.71876%0.759SS**  trans-141.2125.7167.641.80000111.4
987K26.9Very low28.2Very low210 Ų210144.3 Ų144.391%0.91373%0.733SS**  trans39.492.3159.7-61.7-175.3177.2-176.70117.1
988Q24.9Very low30Very low189 Ų189139.9 Ų139.988%0.88371%0.709SS**  trans-82.5161.1151-81.6-176.2-5300110.6
989H25.8Very low32.9Very low177 Ų177132 Ų13282%0.81968%0.681SS**  trans-68.5134.6-172.9-74.9-122.4000112.8
990N25.7Very low35.9Very low152 Ų152123.3 Ų123.381%0.81365%0.647SS**  trans-90.3111161.9-88.5-4.8000109.5
991T26Very low38.8Very low112 Ų112117.8 Ų117.869%0.68762%0.618SS**  trans-129.4129.1167.3-36.80000106.8
992L26.4Very low41.8Very low143 Ų143112.8 Ų112.875%0.74959%0.594SS**SBendtrans54.285.2-166.9-73.382.3000114.9
993H26.7Very low44.9Very low160 Ų160108.6 Ų108.674%0.74157%0.565SS**  trans-148.738.3163.9-131.1-79.3000116.8
994C31Very low48Very low112 Ų112102 Ų10276%0.75753%0.531SS*.  trans-1091.5175.8-56.40000114.5N996C994-N996 VanDerWaalsContact C-N 3.35Å; C994-N996 PolarHBondContact O-N 2.83Å
995I35.4Very low51Low144 Ų14497.8 Ų97.874%0.73850%0.502SS*.THydrogen-bonded Turntrans-70.9-26.1-168.5-64.4174.4000113.3
996N42.9Very low54.3Low146 Ų14692 Ų9278%0.78148%0.478SS*.THydrogen-bonded Turntrans-109.913.8-176-72.1-9.2000114.3C994C994-N996 VanDerWaalsContact C-N 3.35Å; C994-N996 PolarHBondContact O-N 2.83Å
997G51.4Low57.5Low20 Ų2086.5 Ų86.521%0.20644%0.444CS..  trans-67.1152.7176.800000113.5K1002G997-K1002 WeakPolarHBondContact O-CD 3.39Å; G997-K1002 PolarHBondContact O-NZ 2.87Å
998N64.4Low60.5Low41 Ų4177 Ų7722%0.21940%0.403CS..  trans-105.7109.4165.2-82.3-0.3000108.6T837 E838 T840 V841 K1002T837-N998 PolarHBondContact OG1-ND2 3.46Å; E838-N998 WeakPolarHBondContact O-CB 3.38Å; E838-N998 PolarHBondContact O-ND2 2.98Å; T840-N998 PolarHBondContact N-O 2.83Å; T840-N998 PolarHBondContact OG1-N 3.46Å; V841-N998 PolarHBondContact N-O 3.22Å; N998-K1002 WeakPolarHBondContact OD1-CE 3.46Å; N998-K1002 PolarHBondContact OD1-NZ 3.47Å
999S86.7Confident63.7Low25 Ų2572.5 Ų72.518%0.17538%0.382CS..  trans-105.2161.4170.192.70000110.7V841 D843 G1001 K1002 A1003V841-S999 WeakPolarHBondContact O-CA 3.37Å; V841-S999 WeakPolarHBondContact O-CB 3.33Å; D843-S999 WeakPolarHBondContact OD1-CB 3.34Å; D843-S999 PolarHBondContact OD1-OG 2.99Å; S999-G1001 PolarHBondContact O-N 3.29Å; S999-G1001 VanDerWaalsContact O-N 3.17Å; S999-G1001 PolarHBondContact OG-N 3.25Å; S999-K1002 WeakPolarHBondContact O-CB 3.15Å; S999-K1002 PolarHBondContact O-N 3.35Å; S999-A1003 PolarHBondContact O-N 2.85Å
1000L88.1Confident66.7Low0 Ų066.6 Ų66.60%036%0.356CS..Hα-helixtrans-53.3-37.3175.8177.161.3000111.4R560 V561 C562 A619 L839 K1002 A1003 L1004 L1030 I1038R560-L1000 HydrophobicContact CB-CD2 4.05Å; R560-L1000 HydrophobicContact CB-CG 4.34Å; V561-L1000 WeakPolarHBondContact O-CD2 3.41Å; C562-L1000 HydrophobicContact CB-CB 3.76Å; C562-L1000 HydrophobicContact CB-CD2 3.85Å; C562-L1000 HydrophobicContact CB-CG 4.47Å; A619-L1000 HydrophobicContact CB-CD2 4.15Å; L839-L1000 HydrophobicContact CD1-CB 4.32Å; L1000-K1002 PolarHBondContact O-N 3.33Å; L1000-A1003 PolarHBondContact O-N 2.91Å; L1000-L1004 HydrophobicContact CD1-CD1 3.75Å; L1000-L1004 HydrophobicContact CD1-CG 4.13Å; L1000-L1004 HydrophobicContact CG-CD1 3.96Å; L1000-L1004 PolarHBondContact O-N 2.74Å; L1000-L1030 HydrophobicContact CD1-CD1 4.33Å; L1000-I1038 HydrophobicContact CD1-CD1 4.16Å
1001G86.6Confident69.6Low2 Ų259.7 Ų59.72%0.02132%0.32CS..Hα-helixtrans-65.8-32.5175.900000115.1D843 S999 R1005D843-G1001 PolarHBondContact OD1-N 2.87Å; D843-G1001 VanDerWaalsContact OD1-N 3.1Å; D843-G1001 PolarHBondContact OD2-N 2.92Å; S999-G1001 PolarHBondContact O-N 3.29Å; S999-G1001 VanDerWaalsContact O-N 3.17Å; S999-G1001 PolarHBondContact OG-N 3.25Å; G1001-R1005 WeakPolarHBondContact O-CG 3.18Å; G1001-R1005 PolarHBondContact O-NE 2.87Å
1002K88Confident72.5Confident60 Ų6055.6 Ų55.626%0.26129%0.292SS..Hα-helixtrans-69.9-51.3170.8-174.9-176.1173.4-168.60110.6G997 N998 S999 L1000 L1004 R1005 E1006G997-K1002 WeakPolarHBondContact O-CD 3.39Å; G997-K1002 PolarHBondContact O-NZ 2.87Å; N998-K1002 WeakPolarHBondContact OD1-CE 3.46Å; N998-K1002 PolarHBondContact OD1-NZ 3.47Å; S999-K1002 WeakPolarHBondContact O-CB 3.15Å; S999-K1002 PolarHBondContact O-N 3.35Å; L1000-K1002 PolarHBondContact O-N 3.33Å; K1002-L1004 PolarHBondContact O-N 2.68Å; K1002-R1005 PolarHBondContact O-N 2.97Å; K1002-R1005 VanDerWaalsContact O-N 3.12Å; K1002-E1006 WeakPolarHBondContact CE-OE1 3.41Å; K1002-E1006 VanDerWaalsContact CG-OE1 3.28Å; K1002-E1006 WeakPolarHBondContact CG-OE1 3.42Å; K1002-E1006 PolarHBondContact O-N 2.94Å
1003A89.5Confident75.4Confident4 Ų454.9 Ų54.93%0.03328%0.283CS..Hα-helixtrans-50.9-52.5-179.100000113.3T837 L839 S999 L1000 R1005 E1006 F1007 I1040T837-A1003 HydrophobicContact CG2-CB 3.56Å; L839-A1003 HydrophobicContact CD2-CB 4.45Å; S999-A1003 PolarHBondContact O-N 2.85Å; L1000-A1003 PolarHBondContact O-N 2.91Å; A1003-R1005 VanDerWaalsContact C-N 3.34Å; A1003-R1005 PolarHBondContact O-N 2.74Å; A1003-E1006 PolarHBondContact O-N 3.38Å; A1003-F1007 VanDerWaalsContact O-CB 3.32Å; A1003-F1007 WeakPolarHBondContact O-CB 3.2Å; A1003-F1007 PolarHBondContact O-N 2.83Å; A1003-I1040 HydrophobicContact CB-CD1 4.03Å
1004L89.7Confident78.2Confident1 Ų151 Ų511%0.00526%0.261CS..Hα-helixtrans-67.1-30.8-178.5-77.8165.2000113.4R560 I621 L1000 K1002 N1008 Y1028 I1040R560-L1004 HydrophobicContact CB-CD1 3.88Å; R560-L1004 HydrophobicContact CG-CD1 4.46Å; I621-L1004 HydrophobicContact CD1-CD1 3.75Å; I621-L1004 HydrophobicContact CD1-CD2 3.85Å; I621-L1004 HydrophobicContact CD1-CG 4.5Å; I621-L1004 HydrophobicContact CG1-CD1 4.25Å; L1000-L1004 HydrophobicContact CD1-CD1 3.75Å; L1000-L1004 HydrophobicContact CD1-CG 4.13Å; L1000-L1004 HydrophobicContact CG-CD1 3.96Å; L1000-L1004 PolarHBondContact O-N 2.74Å; K1002-L1004 PolarHBondContact O-N 2.68Å; L1004-N1008 WeakPolarHBondContact O-CB 3.32Å; L1004-N1008 PolarHBondContact O-N 2.79Å; L1004-N1008 PolarHBondContact O-ND2 3.04Å; L1004-Y1028 HydrophobicContact CD2-CD1 4.38Å; L1004-I1040 HydrophobicContact CD2-CD1 3.91Å; L1004-I1040 HydrophobicContact CD2-CG1 4.39Å; L1004-I1040 HydrophobicContact CD2-CG2 3.98Å; L1004-I1040 HydrophobicContact CG-CD1 4.08Å
1005R90.1Very high80.8Confident39 Ų3946.2 Ų46.215%0.14723%0.228CC..Hα-helixtrans-70.5-46.1175.5-74.2177.8-66.3-157.86.4111.4D769 G1001 K1002 A1003 N1008 Q1009D769-R1005 WeakPolarHBondContact OD1-CD 3.46Å; G1001-R1005 WeakPolarHBondContact O-CG 3.18Å; G1001-R1005 PolarHBondContact O-NE 2.87Å; K1002-R1005 PolarHBondContact O-N 2.97Å; K1002-R1005 VanDerWaalsContact O-N 3.12Å; A1003-R1005 VanDerWaalsContact C-N 3.34Å; A1003-R1005 PolarHBondContact O-N 2.74Å; R1005-N1008 PolarHBondContact O-N 3.01Å; R1005-Q1009 WeakPolarHBondContact O-CB 3.27Å; R1005-Q1009 VanDerWaalsContact O-CG 3.3Å; R1005-Q1009 WeakPolarHBondContact O-CG 3.49Å; R1005-Q1009 PolarHBondContact O-N 3.29Å
1006E89.9Confident83.3Confident78 Ų7844.4 Ų44.436%0.36421%0.212SC..Hα-helixtrans-63.1-43.3177.1-69.3175.2-174.900110.7K1002 A1003 N1008 Q1009 L1010K1002-E1006 WeakPolarHBondContact CE-OE1 3.41Å; K1002-E1006 VanDerWaalsContact CG-OE1 3.28Å; K1002-E1006 WeakPolarHBondContact CG-OE1 3.42Å; K1002-E1006 PolarHBondContact O-N 2.94Å; A1003-E1006 PolarHBondContact O-N 3.38Å; E1006-N1008 PolarHBondContact O-N 2.74Å; E1006-Q1009 PolarHBondContact O-N 2.84Å; E1006-L1010 VanDerWaalsContact O-CB 3.31Å; E1006-L1010 WeakPolarHBondContact O-CB 3.04Å; E1006-L1010 VanDerWaalsContact O-CG 3.22Å; E1006-L1010 WeakPolarHBondContact O-CG 3.23Å; E1006-L1010 PolarHBondContact O-N 3.1Å
1007F90.7Very high85.3Confident1 Ų144 Ų440%0.00421%0.205CC..Hα-helixtrans-55.3-49173-179.5-94000113.2R833 H835 A1003 T1011 Y1028 I1040 A1042R833-F1007 HydrophobicContact CB-CE2 4.26Å; R833-F1007 HydrophobicContact CB-CZ 4.05Å; R833-F1007 HydrophobicContact CG-CE2 3.75Å; R833-F1007 HydrophobicContact CG-CZ 4.03Å; H835-F1007 HydrophobicContact CB-CD2 3.39Å; H835-F1007 HydrophobicContact CB-CE2 3.62Å; H835-F1007 AromaticContact CD2-CD2 3.91Å; H835-F1007 AromaticContact CG-CD2 3.93Å; A1003-F1007 VanDerWaalsContact O-CB 3.32Å; A1003-F1007 WeakPolarHBondContact O-CB 3.2Å; A1003-F1007 PolarHBondContact O-N 2.83Å; F1007-T1011 WeakPolarHBondContact O-CB 3.39Å; F1007-T1011 PolarHBondContact O-N 3.47Å; F1007-T1011 VanDerWaalsContact O-N 3.11Å; F1007-T1011 PolarHBondContact O-OG1 2.77Å; F1007-Y1028 AromaticContact CD1-CE1 3.99Å; F1007-Y1028 HydrophobicContact CD1-CE1 3.99Å; F1007-Y1028 HydrophobicContact CE1-CD1 4.32Å; F1007-Y1028 AromaticContact CE1-CE1 3.74Å; F1007-Y1028 HydrophobicContact CE1-CE1 3.74Å; F1007-I1040 HydrophobicContact CD1-CG2 4.12Å; F1007-I1040 HydrophobicContact CD2-CB 4.4Å; F1007-I1040 HydrophobicContact CD2-CG2 3.99Å; F1007-I1040 HydrophobicContact CE1-CG2 4.07Å; F1007-I1040 HydrophobicContact CE2-CB 4.4Å; F1007-I1040 HydrophobicContact CE2-CG2 3.89Å; F1007-I1040 HydrophobicContact CG-CG2 4.08Å; F1007-I1040 HydrophobicContact CZ-CG2 3.93Å; F1007-A1042 HydrophobicContact CE1-CB 3.58Å; F1007-A1042 HydrophobicContact CZ-CB 3.57Å
1008N91.3Very high86.9Confident11 Ų1145.9 Ų45.96%0.05921%0.206CC..Hα-helixtrans-65.1-48179.3-75.5-13.4000111.4Q558 L1004 R1005 E1006 L1010 T1011 W1012 Y1028Q558-N1008 PolarHBondContact OE1-ND2 3.31Å; L1004-N1008 WeakPolarHBondContact O-CB 3.32Å; L1004-N1008 PolarHBondContact O-N 2.79Å; L1004-N1008 PolarHBondContact O-ND2 3.04Å; R1005-N1008 PolarHBondContact O-N 3.01Å; E1006-N1008 PolarHBondContact O-N 2.74Å; N1008-L1010 PolarHBondContact O-N 2.71Å; N1008-T1011 WeakPolarHBondContact O-CA 3.31Å; N1008-T1011 WeakPolarHBondContact O-CB 3.42Å; N1008-T1011 PolarHBondContact O-N 2.71Å; N1008-W1012 HydrophobicContact CB-CH2 4.39Å; N1008-W1012 HydrophobicContact CB-CZ2 3.88Å; N1008-W1012 VanDerWaalsContact O-CG 3.22Å; N1008-W1012 PolarHBondContact O-N 3.27Å; N1008-Y1028 PolarHBondContact OD1-OH 2.97Å
1009Q90.5Very high87.9Confident95 Ų9546.7 Ų46.744%0.44421%0.21SC..Hα-helixtrans-58.9-45.5177.8-74.1174.2-18.400112P770 R1005 E1006 T1011 W1012 F1013P770-Q1009 HydrophobicContact CG-CG 4.09Å; R1005-Q1009 WeakPolarHBondContact O-CB 3.27Å; R1005-Q1009 VanDerWaalsContact O-CG 3.3Å; R1005-Q1009 WeakPolarHBondContact O-CG 3.49Å; R1005-Q1009 PolarHBondContact O-N 3.29Å; E1006-Q1009 PolarHBondContact O-N 2.84Å; Q1009-T1011 PolarHBondContact O-N 2.73Å; Q1009-W1012 PolarHBondContact O-N 3.03Å; Q1009-F1013 VanDerWaalsContact O-CB 3.24Å; Q1009-F1013 WeakPolarHBondContact O-CB 3.31Å; Q1009-F1013 PolarHBondContact O-N 3.07Å
1010L88.8Confident87.9Confident53 Ų5348.1 Ų48.128%0.27722%0.219SC..Hα-helixtrans-63.1-24.3174.9-72.9170.1000112.8R833 L881 E1006 N1008 R1014R833-L1010 PolarHBondContact NH1-O 3.43Å; L881-L1010 HydrophobicContact CD1-CD1 4.37Å; L881-L1010 HydrophobicContact CD1-CD2 3.97Å; E1006-L1010 VanDerWaalsContact O-CB 3.31Å; E1006-L1010 WeakPolarHBondContact O-CB 3.04Å; E1006-L1010 VanDerWaalsContact O-CG 3.22Å; E1006-L1010 WeakPolarHBondContact O-CG 3.23Å; E1006-L1010 PolarHBondContact O-N 3.1Å; N1008-L1010 PolarHBondContact O-N 2.71Å; L1010-R1014 PolarHBondContact O-N 2.98Å
1011T86.7Confident87.9Confident7 Ų748.2 Ų48.24%0.04322%0.219CC..Hα-helixtrans-84.7-44.4-179.9-60.40000111.1F831 R833 F1007 N1008 Q1009 F1013 R1014 F1015F831-T1011 HydrophobicContact CE2-CG2 4.33Å; R833-T1011 WeakPolarHBondContact CD-OG1 3.09Å; R833-T1011 VanDerWaalsContact NH1-CA 3.26Å; R833-T1011 PolarHBondContact NH1-OG1 3.49Å; F1007-T1011 WeakPolarHBondContact O-CB 3.39Å; F1007-T1011 PolarHBondContact O-N 3.47Å; F1007-T1011 VanDerWaalsContact O-N 3.11Å; F1007-T1011 PolarHBondContact O-OG1 2.77Å; N1008-T1011 WeakPolarHBondContact O-CA 3.31Å; N1008-T1011 WeakPolarHBondContact O-CB 3.42Å; N1008-T1011 PolarHBondContact O-N 2.71Å; Q1009-T1011 PolarHBondContact O-N 2.73Å; T1011-F1013 VanDerWaalsContact C-N 3.3Å; T1011-F1013 PolarHBondContact O-N 3.13Å; T1011-R1014 WeakPolarHBondContact O-CB 2.99Å; T1011-R1014 PolarHBondContact O-N 3.38Å; T1011-R1014 VanDerWaalsContact O-N 3.15Å; T1011-F1015 HydrophobicContact CG2-CD2 4.04Å; T1011-F1015 HydrophobicContact CG2-CE2 3.59Å; T1011-F1015 WeakPolarHBondContact O-CD2 3.17Å; T1011-F1015 PolarHBondContact O-N 3.47Å
1012W87.5Confident88Confident26 Ų2649 Ų4910%0.09822%0.223CC..Hα-helixtrans-62.1-39.8170.5-49.7-23.8000111.3P770 F771 Q772 P773 L776 L778 N1008 Q1009 R1014 F1015 R1016P770-W1012 HydrophobicContact CB-CH2 4.44Å; P770-W1012 HydrophobicContact CB-CZ3 4Å; P770-W1012 HydrophobicContact CG-CH2 3.94Å; P770-W1012 HydrophobicContact CG-CZ3 3.81Å; F771-W1012 VanDerWaalsContact O-CZ3 3.32Å; F771-W1012 WeakPolarHBondContact O-CZ3 3.28Å; Q772-W1012 HydrophobicContact CB-CZ2 4.49Å; P773-W1012 HydrophobicContact CG-CB 4.12Å; L776-W1012 HydrophobicContact CD2-CB 3.92Å; L776-W1012 HydrophobicContact CD2-CG 3.76Å; L778-W1012 HydrophobicContact CD1-CZ2 3.78Å; N1008-W1012 HydrophobicContact CB-CH2 4.39Å; N1008-W1012 HydrophobicContact CB-CZ2 3.88Å; N1008-W1012 VanDerWaalsContact O-CG 3.22Å; N1008-W1012 PolarHBondContact O-N 3.27Å; Q1009-W1012 PolarHBondContact O-N 3.03Å; W1012-R1014 VanDerWaalsContact C-N 3.31Å; W1012-R1014 PolarHBondContact O-N 2.81Å; W1012-F1015 CarbonylContact O-C 3.55Å; W1012-F1015 PolarHBondContact O-N 3.22Å; W1012-R1016 PolarHBondContact O-N 3.08Å
1013F88.5Confident88.1Confident128 Ų12846.2 Ų46.256%0.56121%0.211SC*.Hα-helixtrans-63-33.3174.4-178.1-105.5000113.1Q1009 T1011 R1016Q1009-F1013 VanDerWaalsContact O-CB 3.24Å; Q1009-F1013 WeakPolarHBondContact O-CB 3.31Å; Q1009-F1013 PolarHBondContact O-N 3.07Å; T1011-F1013 VanDerWaalsContact C-N 3.3Å; T1011-F1013 PolarHBondContact O-N 3.13Å; F1013-R1016 VanDerWaalsContact CE1-NH1 3.27Å; F1013-R1016 WeakPolarHBondContact O-CD 3.47Å; F1013-R1016 VanDerWaalsContact O-CG 3.32Å; F1013-R1016 WeakPolarHBondContact O-CG 3.09Å; F1013-R1016 PolarHBondContact O-NH1 3.02Å
1014R85.1Confident88.1Confident78 Ų7846.2 Ų46.229%0.29421%0.21SC..Hα-helixtrans-65.8-38.4174.5-173.2178.9-177.4177.31.2111.6L1010 T1011 W1012L1010-R1014 PolarHBondContact O-N 2.98Å; T1011-R1014 WeakPolarHBondContact O-CB 2.99Å; T1011-R1014 PolarHBondContact O-N 3.38Å; T1011-R1014 VanDerWaalsContact O-N 3.15Å; W1012-R1014 VanDerWaalsContact C-N 3.31Å; W1012-R1014 PolarHBondContact O-N 2.81Å
1015F85.2Confident88.1Confident12 Ų1246.5 Ų46.55%0.05321%0.212CC..Hα-helixtrans-97.85.7-174.7-53.5-47.2000114.7F831 T1011 W1012 H1017 Y1018 I1023 I1046F831-F1015 HydrophobicContact CB-CZ 3.95Å; F831-F1015 AromaticContact CD1-CE2 3.93Å; F831-F1015 HydrophobicContact CD1-CE2 3.93Å; F831-F1015 AromaticContact CD1-CZ 3.85Å; F831-F1015 HydrophobicContact CD1-CZ 3.85Å; F831-F1015 HydrophobicContact CD2-CE2 4.14Å; F831-F1015 AromaticContact CD2-CZ 3.98Å; F831-F1015 HydrophobicContact CD2-CZ 3.98Å; F831-F1015 AromaticContact CE1-CE2 3.94Å; F831-F1015 HydrophobicContact CE1-CE2 3.94Å; F831-F1015 HydrophobicContact CE1-CZ 4.34Å; F831-F1015 HydrophobicContact CE2-CE2 4.17Å; F831-F1015 HydrophobicContact CE2-CZ 4.47Å; F831-F1015 HydrophobicContact CG-CE2 4.02Å; F831-F1015 AromaticContact CG-CZ 3.64Å; F831-F1015 HydrophobicContact CG-CZ 3.64Å; F831-F1015 HydrophobicContact CZ-CE2 4.06Å; T1011-F1015 HydrophobicContact CG2-CD2 4.04Å; T1011-F1015 HydrophobicContact CG2-CE2 3.59Å; T1011-F1015 WeakPolarHBondContact O-CD2 3.17Å; T1011-F1015 PolarHBondContact O-N 3.47Å; W1012-F1015 CarbonylContact O-C 3.55Å; W1012-F1015 PolarHBondContact O-N 3.22Å; F1015-H1017 PolarHBondContact O-N 3.05Å; F1015-Y1018 HydrophobicContact CB-CD2 4.43Å; F1015-Y1018 HydrophobicContact CD1-CD2 4.38Å; F1015-Y1018 WeakPolarHBondContact O-CA 3.35Å; F1015-Y1018 WeakPolarHBondContact O-CB 3.49Å; F1015-Y1018 PolarHBondContact O-N 2.9Å; F1015-I1023 HydrophobicContact CD2-CD1 3.74Å; F1015-I1023 HydrophobicContact CE2-CD1 4.27Å; F1015-I1046 HydrophobicContact CD1-CD1 3.58Å; F1015-I1046 HydrophobicContact CD1-CG1 4.49Å; F1015-I1046 HydrophobicContact CD2-CD1 4.17Å; F1015-I1046 HydrophobicContact CD2-CG1 4.41Å; F1015-I1046 HydrophobicContact CE1-CD1 3.44Å; F1015-I1046 VanDerWaalsContact CE1-CD1 3.44Å; F1015-I1046 HydrophobicContact CE2-CD1 4.02Å; F1015-I1046 HydrophobicContact CE2-CG1 4.47Å; F1015-I1046 HydrophobicContact CG-CD1 3.97Å; F1015-I1046 HydrophobicContact CG-CG1 4.42Å; F1015-I1046 HydrophobicContact CZ-CD1 3.68Å
1016R87.6Confident88.2Confident106 Ų10645 Ų4540%0.421%0.207SC..G310 helixtrans-52-29.118074.1-174.5-176.1-94.43.5115.7W1012 F1013 Y1018 I1019W1012-R1016 PolarHBondContact O-N 3.08Å; F1013-R1016 VanDerWaalsContact CE1-NH1 3.27Å; F1013-R1016 WeakPolarHBondContact O-CD 3.47Å; F1013-R1016 VanDerWaalsContact O-CG 3.32Å; F1013-R1016 WeakPolarHBondContact O-CG 3.09Å; F1013-R1016 PolarHBondContact O-NH1 3.02Å; R1016-Y1018 VanDerWaalsContact C-N 3.28Å; R1016-I1019 PolarHBondContact O-N 2.95Å
1017H85.2Confident88.2Confident136 Ų13641.4 Ų41.463%0.6319%0.191SC*.G310 helixtrans-78.5-14.3179.1-48.9123.5000113F1015F1015-H1017 PolarHBondContact O-N 3.05Å
1018Y83.9Confident88.3Confident61 Ų6141.6 Ų41.624%0.23919%0.191CC..G310 helixtrans-9831.2170.7-58.3-80.7000110.5F1015 R1016 P1020 C1021 H1048F1015-Y1018 HydrophobicContact CB-CD2 4.43Å; F1015-Y1018 HydrophobicContact CD1-CD2 4.38Å; F1015-Y1018 WeakPolarHBondContact O-CA 3.35Å; F1015-Y1018 WeakPolarHBondContact O-CB 3.49Å; F1015-Y1018 PolarHBondContact O-N 2.9Å; R1016-Y1018 VanDerWaalsContact C-N 3.28Å; Y1018-P1020 CarbonylContact O-C 3.58Å; Y1018-C1021 WeakPolarHBondContact O-CB 3.48Å; Y1018-C1021 PolarHBondContact O-N 2.93Å; Y1018-C1021 PolarHBondContact O-SG 2.99Å; Y1018-H1048 HydrophobicContact CD1-CB 4.17Å; Y1018-H1048 PolarHBondContact O-CD2 2.9Å
1019I85.6Confident88.1Confident57 Ų5743.4 Ų43.429%0.29220%0.197SC..  trans-96125.1174.3-67.9179.4000107.9P773 Q774 L776 R1016P773-I1019 HydrophobicContact CB-CD1 3.82Å; P773-I1019 HydrophobicContact CG-CD1 4.38Å; Q774-I1019 WeakPolarHBondContact O-CG2 3.47Å; L776-I1019 HydrophobicContact CB-CD1 4.38Å; R1016-I1019 PolarHBondContact O-N 2.95Å
1020P87Confident88.1Confident56 Ų5639.7 Ų39.736%0.36418%0.18SC..SBendcis-89.9120.412.433.8-33.5000115.2G775 Y1018 H1048 P1049G775-P1020 CarbonylContact O-C 3.57Å; G775-P1020 WeakPolarHBondContact O-CA 3.44Å; G775-P1020 WeakPolarHBondContact O-CB 3.48Å; Y1018-P1020 CarbonylContact O-C 3.58Å; P1020-H1048 PolarHBondContact O-CD2 2.84Å; P1020-P1049 WeakPolarHBondContact O-CD 3.15Å
1021C88.3Confident87.9Confident2 Ų238.6 Ų38.61%0.01418%0.178CC..EExtended strand (participates in β ladder)trans-128.2167.2173.361.90000113G775 L776 I777 Y1018 I1046 L1047 H1048G775-C1021 PolarHBondContact O-N 2.89Å; G775-C1021 VanDerWaalsContact O-N 3.08Å; L776-C1021 WeakPolarHBondContact CA-O 2.92Å; L776-C1021 WeakPolarHBondContact CD1-SG 3.28Å; I777-C1021 PolarHBondContact N-O 3.45Å; Y1018-C1021 WeakPolarHBondContact O-CB 3.48Å; Y1018-C1021 PolarHBondContact O-N 2.93Å; Y1018-C1021 PolarHBondContact O-SG 2.99Å; C1021-I1046 HydrophobicContact CB-CG2 3.92Å; C1021-L1047 VanDerWaalsContact CA-O 3.31Å; C1021-L1047 WeakPolarHBondContact CA-O 3.49Å; C1021-L1047 WeakPolarHBondContact CB-O 3.49Å; C1021-H1048 HydrophobicContact CB-CB 4.06Å
1022I88.9Confident87.9Confident18 Ų1840 Ų409%0.09218%0.183CC..EExtended strand (participates in β ladder)trans-115.8134.3173.5-43.4-176.6000107.3I777 I784 N1024 I1046 L1047I777-I1022 HydrophobicContact CB-CB 4.31Å; I777-I1022 HydrophobicContact CB-CG1 4.24Å; I777-I1022 HydrophobicContact CB-CG2 3.86Å; I777-I1022 HydrophobicContact CD1-CD1 4.49Å; I777-I1022 HydrophobicContact CD1-CG1 4.37Å; I777-I1022 HydrophobicContact CG2-CG2 3.81Å; I777-I1022 CarbonylContact O-C 3.55Å; I777-I1022 WeakPolarHBondContact O-CA 3.21Å; I784-I1022 HydrophobicContact CD1-CD1 3.59Å; I784-I1022 HydrophobicContact CD1-CG2 4.14Å; I784-I1022 HydrophobicContact CG1-CD1 4.4Å; I784-I1022 HydrophobicContact CG1-CG2 4.21Å; I1022-N1024 WeakPolarHBondContact CG2-OD1 3.1Å; I1022-I1046 CarbonylContact O-C 3.58Å; I1022-I1046 WeakPolarHBondContact O-CA 3.46Å; I1022-L1047 PolarHBondContact N-O 2.83Å; I1022-L1047 PolarHBondContact O-N 3.11Å
1023I90.3Very high87.3Confident2 Ų239.2 Ų39.21%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-108.7111169.2-63.2178.9000108.2L776 I777 L778 T779 F831 F1015 L1026 M1045 I1046L776-I1023 HydrophobicContact CD1-CD1 4.08Å; L776-I1023 HydrophobicContact CD1-CG1 4.18Å; I777-I1023 PolarHBondContact O-N 2.95Å; L778-I1023 HydrophobicContact CD2-CB 3.94Å; L778-I1023 HydrophobicContact CD2-CD1 3.92Å; L778-I1023 HydrophobicContact CD2-CG1 4.24Å; T779-I1023 PolarHBondContact N-O 3.15Å; F831-I1023 HydrophobicContact CE1-CD1 4.31Å; F831-I1023 HydrophobicContact CE1-CG2 3.73Å; F831-I1023 HydrophobicContact CZ-CG2 4.05Å; F1015-I1023 HydrophobicContact CD2-CD1 3.74Å; F1015-I1023 HydrophobicContact CE2-CD1 4.27Å; I1023-L1026 HydrophobicContact CG2-CB 4.44Å; I1023-L1026 HydrophobicContact CG2-CD1 4.08Å; I1023-M1045 CarbonylContact C-O 3.42Å; I1023-M1045 VanDerWaalsContact CA-O 3.29Å; I1023-M1045 WeakPolarHBondContact CA-O 3.44Å; I1023-I1046 HydrophobicContact CD1-CG1 4.24Å; I1023-I1046 HydrophobicContact CG1-CG1 3.95Å
1024N88.3Confident86.4Confident3 Ų336.8 Ų36.82%0.01617%0.174CC..EExtended strand (participates in β ladder)trans-103.5164.4-179.6-73.420.7000112.3T779 E782 I784 I1022 L1026 M1045 L1171T779-N1024 CarbonylContact O-C 3.5Å; T779-N1024 WeakPolarHBondContact OG1-CA 3.27Å; T779-N1024 PolarHBondContact OG1-OD1 2.83Å; E782-N1024 PolarHBondContact O-ND2 2.91Å; I784-N1024 WeakPolarHBondContact CG1-ND2 3.49Å; I1022-N1024 WeakPolarHBondContact CG2-OD1 3.1Å; N1024-L1026 PolarHBondContact O-N 2.88Å; N1024-M1045 PolarHBondContact N-O 3.44Å; N1024-M1045 PolarHBondContact O-N 3.5Å; N1024-L1171 HydrophobicContact CB-CD2 3.89Å
1025A89.7Confident85.5Confident7 Ų736 Ų366%0.05818%0.176CC..EExtended strand (participates in β ladder)trans51.737.1176.800000113.2T779 T781 E782 D1027 P1170 L1171T779-A1025 PolarHBondContact O-N 3.06Å; T781-A1025 PolarHBondContact O-N 3.17Å; E782-A1025 HydrophobicContact CG-CB 4.22Å; A1025-D1027 PolarHBondContact O-N 3.33Å; A1025-D1027 VanDerWaalsContact O-N 3.08Å; A1025-P1170 HydrophobicContact CB-CB 4.2Å; A1025-P1170 HydrophobicContact CB-CG 4.23Å; A1025-L1171 HydrophobicContact CB-CD2 3.71Å
1026L92.1Very high84.8Confident7 Ų740.3 Ų40.34%0.03720%0.196CC..EExtended strand (participates in β ladder)trans-71.599-175.9-172.464.2000111.2L556 T779 T780 F831 I1023 N1024 Y1028 T1043L556-L1026 HydrophobicContact CD1-CD2 4.2Å; L556-L1026 HydrophobicContact CD2-CD2 3.72Å; T779-L1026 WeakPolarHBondContact O-CB 3.3Å; T779-L1026 PolarHBondContact O-N 3.23Å; T780-L1026 WeakPolarHBondContact CG2-O 3.33Å; F831-L1026 HydrophobicContact CZ-CD1 3.82Å; I1023-L1026 HydrophobicContact CG2-CB 4.44Å; I1023-L1026 HydrophobicContact CG2-CD1 4.08Å; N1024-L1026 PolarHBondContact O-N 2.88Å; L1026-Y1028 HydrophobicContact CD1-CE2 4.26Å; L1026-Y1028 HydrophobicContact CD2-CE2 3.65Å; L1026-Y1028 HydrophobicContact CG-CD2 4.26Å; L1026-Y1028 HydrophobicContact CG-CE2 3.58Å; L1026-T1043 WeakPolarHBondContact CA-O 3.44Å
1027D91.3Very high84.5Confident3 Ų338 Ų382%0.01619%0.189CC..EExtended strand (participates in β ladder)trans-94.8140172.8-170.960.8000110.5R608 R610 A1025 R1029 A1042 T1043R608-D1027 WeakPolarHBondContact CD-OD1 3.15Å; R608-D1027 IonicContact CZ-OD1 3.16Å; R608-D1027 IonicContact NE-OD1 2.93Å; R608-D1027 IonicContact NH1-OD1 3.6Å; R608-D1027 PolarHBondContact NH1-OD1 3.49Å; R608-D1027 IonicContact NH1-OD2 2.67Å; R610-D1027 IonicContact CZ-OD1 3.21Å; R610-D1027 IonicContact CZ-OD2 3.33Å; R610-D1027 IonicContact NE-OD1 3.48Å; R610-D1027 IonicContact NE-OD2 3.82Å; R610-D1027 VanDerWaalsContact NH2-CG 3.32Å; R610-D1027 IonicContact NH2-OD1 3.35Å; R610-D1027 PolarHBondContact NH2-OD1 2.91Å; R610-D1027 VanDerWaalsContact NH2-OD1 3.1Å; R610-D1027 IonicContact NH2-OD2 2.67Å; R610-D1027 PolarHBondContact NH2-OD2 3.29Å; A1025-D1027 PolarHBondContact O-N 3.33Å; A1025-D1027 VanDerWaalsContact O-N 3.08Å; D1027-R1029 IonicContact OD2-NE 3.7Å; D1027-A1042 VanDerWaalsContact O-CA 3.25Å; D1027-A1042 WeakPolarHBondContact O-CA 3.13Å; D1027-T1043 PolarHBondContact N-O 2.67Å; D1027-T1043 PolarHBondContact O-N 3.25Å
1028Y92Very high84.5Confident6 Ų631.5 Ų31.52%0.02416%0.159CC..EExtended strand (participates in β ladder)trans-112.9140170.1-72.8-103.9000109L556 Q558 R610 I621 T623 L1004 F1007 N1008 L1026 I1041 A1042L556-Y1028 HydrophobicContact CD2-CE2 4.24Å; Q558-Y1028 VanDerWaalsContact NE2-CE1 3.33Å; R610-Y1028 VanDerWaalsContact CG-O 3.27Å; R610-Y1028 WeakPolarHBondContact CG-O 3.44Å; R610-Y1028 PolarHBondContact NE-O 3.44Å; I621-Y1028 HydrophobicContact CD1-CD1 4.34Å; I621-Y1028 HydrophobicContact CD1-CG 4.31Å; T623-Y1028 HydrophobicContact CG2-CD2 3.86Å; T623-Y1028 HydrophobicContact CG2-CG 4.15Å; L1004-Y1028 HydrophobicContact CD2-CD1 4.38Å; F1007-Y1028 AromaticContact CD1-CE1 3.99Å; F1007-Y1028 HydrophobicContact CD1-CE1 3.99Å; F1007-Y1028 HydrophobicContact CE1-CD1 4.32Å; F1007-Y1028 AromaticContact CE1-CE1 3.74Å; F1007-Y1028 HydrophobicContact CE1-CE1 3.74Å; N1008-Y1028 PolarHBondContact OD1-OH 2.97Å; L1026-Y1028 HydrophobicContact CD1-CE2 4.26Å; L1026-Y1028 HydrophobicContact CD2-CE2 3.65Å; L1026-Y1028 HydrophobicContact CG-CD2 4.26Å; L1026-Y1028 HydrophobicContact CG-CE2 3.58Å; Y1028-I1041 CarbonylContact C-O 3.58Å; Y1028-I1041 WeakPolarHBondContact CA-O 3.39Å; Y1028-A1042 HydrophobicContact CD1-CB 4.1Å; Y1028-A1042 HydrophobicContact CE1-CB 4.14Å; Y1028-A1042 HydrophobicContact CG-CB 4.47Å
1029R88Confident84.6Confident48 Ų4828.6 Ų28.618%0.18115%0.148CC..EExtended strand (participates in β ladder)trans-129.7148.4174.6-82.3175.6159.9-130.6-20.3110.2R610 D1027 I1041 L1235 S1236R610-R1029 VanDerWaalsContact NH1-NH2 3.12Å; R610-R1029 VanDerWaalsContact NH2-NE 3.19Å; D1027-R1029 IonicContact OD2-NE 3.7Å; R1029-I1041 HydrophobicContact CB-CB 4.2Å; R1029-I1041 PolarHBondContact N-O 3.09Å; R1029-I1041 PolarHBondContact O-N 2.87Å; R1029-L1235 PolarHBondContact NH1-O 2.99Å; R1029-S1236 VanDerWaalsContact CZ-O 3.28Å; R1029-S1236 PolarHBondContact NH1-O 3.36Å; R1029-S1236 PolarHBondContact NH2-O 3.35Å
1030L89.6Confident84.8Confident17 Ų1725.9 Ų25.99%0.08913%0.134CC..EExtended strand (participates in β ladder)trans-137.3129.5-169.3-16270.5000107.7A612 A619 I621 L1000 I1038 Q1039 I1040A612-L1030 HydrophobicContact CB-CB 4.26Å; A612-L1030 HydrophobicContact CB-CD2 4.1Å; A612-L1030 HydrophobicContact CB-CG 3.99Å; A619-L1030 HydrophobicContact CB-CD2 3.77Å; I621-L1030 HydrophobicContact CG2-CB 4.45Å; I621-L1030 HydrophobicContact CG2-CD2 4.36Å; L1000-L1030 HydrophobicContact CD1-CD1 4.33Å; L1030-I1038 HydrophobicContact CD1-CD1 3.63Å; L1030-I1038 HydrophobicContact CD1-CG1 3.92Å; L1030-I1038 HydrophobicContact CD2-CD1 4.12Å; L1030-I1038 HydrophobicContact CG-CD1 3.86Å; L1030-I1038 HydrophobicContact CG-CG1 4.24Å; L1030-Q1039 WeakPolarHBondContact CA-O 3.17Å; L1030-I1040 HydrophobicContact CD1-CG1 3.91Å
1031S85.9Confident84.8Confident31 Ų3123.5 Ų23.522%0.21712%0.118CC..EExtended strand (participates in β ladder)trans-144.7151.7173.946.60000109.5I1038 Q1039S1031-I1038 WeakPolarHBondContact O-CG1 3.36Å; S1031-Q1039 PolarHBondContact N-O 3.39Å; S1031-Q1039 VanDerWaalsContact N-O 3.09Å; S1031-Q1039 PolarHBondContact O-N 3.02Å
1032F85.1Confident84.9Confident36 Ų3623.5 Ų23.516%0.15812%0.119CC..EExtended strand (participates in β ladder)trans-90.8151.7162.7-74.9-81.5000108.9A612 M617 A619 L839 I1038A612-F1032 HydrophobicContact CB-CD2 3.82Å; A612-F1032 HydrophobicContact CB-CE2 4Å; M617-F1032 HydrophobicContact CB-CE1 4.08Å; M617-F1032 HydrophobicContact CB-CZ 3.72Å; A619-F1032 HydrophobicContact CB-CE2 3.79Å; A619-F1032 HydrophobicContact CB-CZ 3.77Å; L839-F1032 HydrophobicContact CD1-CE1 4.42Å; F1032-I1038 HydrophobicContact CD1-CB 4.18Å; F1032-I1038 HydrophobicContact CD1-CG1 4.13Å; F1032-I1038 HydrophobicContact CE1-CB 4.02Å; F1032-I1038 HydrophobicContact CE1-CD1 3.93Å; F1032-I1038 HydrophobicContact CE1-CG1 3.96Å; F1032-I1038 HydrophobicContact CE2-CD1 4.2Å; F1032-I1038 HydrophobicContact CZ-CD1 3.74Å; F1032-I1038 HydrophobicContact CZ-CG1 4.21Å
1033T75.9Confident84.8Confident9 Ų923.4 Ų23.46%0.05512%0.119CC..  trans-110.9161.9172.162.30000109.8D1035 E1036 H1037 Q1039T1033-D1035 PolarHBondContact O-N 3.04Å; T1033-E1036 WeakPolarHBondContact O-CA 3.14Å; T1033-E1036 PolarHBondContact O-N 3.49Å; T1033-H1037 PolarHBondContact N-O 3.19Å; T1033-H1037 PolarHBondContact OG1-O 2.67Å; T1033-Q1039 HydrophobicContact CG2-CB 4.19Å
1034D68.4Low84.7Confident78 Ų7823.4 Ų23.442%0.41712%0.119SC..THydrogen-bonded Turntrans-61.8-14.9-175.8-48.5-60.6000114.7E1036 R1242 T1244D1034-E1036 VanDerWaalsContact C-N 3.32Å; D1034-R1242 HydrophobicContact CB-CB 4.5Å; D1034-R1242 WeakPolarHBondContact CB-O 3.34Å; D1034-R1242 WeakPolarHBondContact OD2-CA 3.38Å; D1034-R1242 PolarHBondContact OD2-N 3.45Å; D1034-T1244 HydrophobicContact CB-CG2 3.94Å; D1034-T1244 WeakPolarHBondContact O-CG2 3.35Å
1035D66.9Low84.7Confident61 Ų6123.2 Ų23.233%0.32612%0.118SC..THydrogen-bonded Turntrans-95.427.1173-68.5-25.5000111.7T1033 H1037 R1242 T1244T1033-D1035 PolarHBondContact O-N 3.04Å; D1035-H1037 PolarHBondContact O-N 2.94Å; D1035-H1037 PolarHBondContact O-ND1 3.23Å; D1035-R1242 WeakPolarHBondContact OD2-CD 3.48Å; D1035-R1242 IonicContact OD2-CZ 2.84Å; D1035-R1242 IonicContact OD2-NE 2.69Å; D1035-R1242 IonicContact OD2-NH1 3.97Å; D1035-R1242 PolarHBondContact OD2-NH1 2.96Å; D1035-T1244 VanDerWaalsContact OD1-CG2 3.31Å; D1035-T1244 WeakPolarHBondContact OD1-CG2 3.33Å
1036E70.5Confident84.5Confident102 Ų10223.1 Ų23.148%0.47712%0.117SC..SBendtrans56.6-3.4-174.2-67.3-173.3-120.500117Y616 T1033 D1034 I1038Y616-E1036 WeakPolarHBondContact CD2-OE2 3.42Å; T1033-E1036 WeakPolarHBondContact O-CA 3.14Å; T1033-E1036 PolarHBondContact O-N 3.49Å; D1034-E1036 VanDerWaalsContact C-N 3.32Å; E1036-I1038 PolarHBondContact O-N 3.38Å
1037H80.9Confident84.2Confident57 Ų5723 Ų2326%0.26412%0.116SC..PPolyproline II helixtrans-67.7133.1179-73.446.4000110.2T1033 D1035T1033-H1037 PolarHBondContact N-O 3.19Å; T1033-H1037 PolarHBondContact OG1-O 2.67Å; D1035-H1037 PolarHBondContact O-N 2.94Å; D1035-H1037 PolarHBondContact O-ND1 3.23Å
1038I86.8Confident83.7Confident0 Ų024 Ų240%012%0.12CC..EExtended strand (participates in β ladder)trans-82.7130172.8-153.1168.6000109.3A619 E836 T837 L839 L1000 L1030 S1031 F1032 E1036A619-I1038 HydrophobicContact CB-CD1 3.61Å; E836-I1038 WeakPolarHBondContact CA-O 3.42Å; T837-I1038 HydrophobicContact CG2-CG2 4.01Å; T837-I1038 PolarHBondContact N-O 3.4Å; T837-I1038 VanDerWaalsContact N-O 3.1Å; T837-I1038 PolarHBondContact O-N 3.21Å; L839-I1038 HydrophobicContact CD1-CB 4.04Å; L839-I1038 HydrophobicContact CD1-CD1 3.8Å; L839-I1038 HydrophobicContact CD1-CG2 3.86Å; L839-I1038 HydrophobicContact CD2-CG2 3.94Å; L839-I1038 HydrophobicContact CG-CB 4.11Å; L839-I1038 HydrophobicContact CG-CG2 3.68Å; L1000-I1038 HydrophobicContact CD1-CD1 4.16Å; L1030-I1038 HydrophobicContact CD1-CD1 3.63Å; L1030-I1038 HydrophobicContact CD1-CG1 3.92Å; L1030-I1038 HydrophobicContact CD2-CD1 4.12Å; L1030-I1038 HydrophobicContact CG-CD1 3.86Å; L1030-I1038 HydrophobicContact CG-CG1 4.24Å; S1031-I1038 WeakPolarHBondContact O-CG1 3.36Å; F1032-I1038 HydrophobicContact CD1-CB 4.18Å; F1032-I1038 HydrophobicContact CD1-CG1 4.13Å; F1032-I1038 HydrophobicContact CE1-CB 4.02Å; F1032-I1038 HydrophobicContact CE1-CD1 3.93Å; F1032-I1038 HydrophobicContact CE1-CG1 3.96Å; F1032-I1038 HydrophobicContact CE2-CD1 4.2Å; F1032-I1038 HydrophobicContact CZ-CD1 3.74Å; F1032-I1038 HydrophobicContact CZ-CG1 4.21Å; E1036-I1038 PolarHBondContact O-N 3.38Å
1039Q86.2Confident82.6Confident0 Ų024.4 Ų24.40%012%0.124CC..EExtended strand (participates in β ladder)trans-100.8127.9176-174178.597.800109.1V834 H835 E836 L1030 S1031 T1033 I1041V834-Q1039 HydrophobicContact CG1-CG 3.84Å; H835-Q1039 WeakPolarHBondContact O-CA 3.15Å; E836-Q1039 HydrophobicContact CG-CB 3.91Å; E836-Q1039 HydrophobicContact CG-CG 3.85Å; E836-Q1039 PolarHBondContact OE1-NE2 2.94Å; L1030-Q1039 WeakPolarHBondContact CA-O 3.17Å; S1031-Q1039 PolarHBondContact N-O 3.39Å; S1031-Q1039 VanDerWaalsContact N-O 3.09Å; S1031-Q1039 PolarHBondContact O-N 3.02Å; T1033-Q1039 HydrophobicContact CG2-CB 4.19Å; Q1039-I1041 HydrophobicContact CG-CG1 4.24Å
1040I89.5Confident81.3Confident1 Ų124.7 Ų24.71%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-113.6118176.7-61.6164.7000107V834 H835 A1003 L1004 F1007 L1030V834-I1040 CarbonylContact C-O 3.29Å; H835-I1040 PolarHBondContact N-O 2.98Å; H835-I1040 PolarHBondContact O-N 2.89Å; A1003-I1040 HydrophobicContact CB-CD1 4.03Å; L1004-I1040 HydrophobicContact CD2-CD1 3.91Å; L1004-I1040 HydrophobicContact CD2-CG1 4.39Å; L1004-I1040 HydrophobicContact CD2-CG2 3.98Å; L1004-I1040 HydrophobicContact CG-CD1 4.08Å; F1007-I1040 HydrophobicContact CD1-CG2 4.12Å; F1007-I1040 HydrophobicContact CD2-CB 4.4Å; F1007-I1040 HydrophobicContact CD2-CG2 3.99Å; F1007-I1040 HydrophobicContact CE1-CG2 4.07Å; F1007-I1040 HydrophobicContact CE2-CB 4.4Å; F1007-I1040 HydrophobicContact CE2-CG2 3.89Å; F1007-I1040 HydrophobicContact CG-CG2 4.08Å; F1007-I1040 HydrophobicContact CZ-CG2 3.93Å; L1030-I1040 HydrophobicContact CD1-CG1 3.91Å
1041I86.8Confident79Confident6 Ų628.3 Ų28.33%0.03115%0.15CC..EExtended strand (participates in β ladder)trans-109.7135.4172.2-51-176.5000108I832 R833 V834 Y1028 R1029 Q1039 T1043 V1238I832-I1041 HydrophobicContact CG2-CG2 4.06Å; R833-I1041 CarbonylContact O-C 3.54Å; R833-I1041 VanDerWaalsContact O-CA 3.3Å; R833-I1041 WeakPolarHBondContact O-CA 3.2Å; V834-I1041 HydrophobicContact CG1-CG1 4.38Å; V834-I1041 HydrophobicContact CG2-CD1 4.48Å; V834-I1041 HydrophobicContact CG2-CG1 4.23Å; V834-I1041 HydrophobicContact CG2-CG2 4.47Å; Y1028-I1041 CarbonylContact C-O 3.58Å; Y1028-I1041 WeakPolarHBondContact CA-O 3.39Å; R1029-I1041 HydrophobicContact CB-CB 4.2Å; R1029-I1041 PolarHBondContact N-O 3.09Å; R1029-I1041 PolarHBondContact O-N 2.87Å; Q1039-I1041 HydrophobicContact CG-CG1 4.24Å; I1041-T1043 HydrophobicContact CG2-CG2 4.48Å; I1041-V1238 HydrophobicContact CD1-CB 3.87Å; I1041-V1238 HydrophobicContact CD1-CG1 3.89Å; I1041-V1238 HydrophobicContact CD1-CG2 3.76Å
1042A89.8Confident76.4Confident2 Ų232.8 Ų32.82%0.01718%0.182CC..EExtended strand (participates in β ladder)trans-128.9141.2165.100000111.3I832 R833 F1007 D1027 Y1028I832-A1042 WeakPolarHBondContact CA-O 3.19Å; R833-A1042 PolarHBondContact N-O 3.15Å; R833-A1042 PolarHBondContact O-N 3.43Å; F1007-A1042 HydrophobicContact CE1-CB 3.58Å; F1007-A1042 HydrophobicContact CZ-CB 3.57Å; D1027-A1042 VanDerWaalsContact O-CA 3.25Å; D1027-A1042 WeakPolarHBondContact O-CA 3.13Å; Y1028-A1042 HydrophobicContact CD1-CB 4.1Å; Y1028-A1042 HydrophobicContact CE1-CB 4.14Å; Y1028-A1042 HydrophobicContact CG-CB 4.47Å
1043T87.8Confident73.6Confident16 Ų1635.4 Ų35.410%0.09820%0.204CC..EExtended strand (participates in β ladder)trans-125.7151.9176.662.90000109.5F831 I832 L1026 D1027 I1041F831-T1043 WeakPolarHBondContact O-CA 3.32Å; I832-T1043 HydrophobicContact CB-CG2 4.5Å; I832-T1043 HydrophobicContact CG1-CG2 4.06Å; I832-T1043 HydrophobicContact CG2-CG2 4.16Å; L1026-T1043 WeakPolarHBondContact CA-O 3.44Å; D1027-T1043 PolarHBondContact N-O 2.67Å; D1027-T1043 PolarHBondContact O-N 3.25Å; I1041-T1043 HydrophobicContact CG2-CG2 4.48Å
1044G88.4Confident71.4Confident1 Ų141.3 Ų41.31%0.0123%0.234CC..EExtended strand (participates in β ladder)trans175.8176.1177.800000112.7S830 F831S830-G1044 WeakPolarHBondContact CA-O 3.16Å; F831-G1044 WeakPolarHBondContact CD1-O 3.37Å; F831-G1044 PolarHBondContact N-O 2.88Å; F831-G1044 PolarHBondContact O-N 3.43Å
1045M87Confident69.3Low0 Ų043.2 Ų43.20%025%0.248CC..EExtended strand (participates in β ladder)trans-117.3130.5173.6170.6155.9-86.300111.5I1023 N1024 L1047 T1169 P1170 L1171I1023-M1045 CarbonylContact C-O 3.42Å; I1023-M1045 VanDerWaalsContact CA-O 3.29Å; I1023-M1045 WeakPolarHBondContact CA-O 3.44Å; N1024-M1045 PolarHBondContact N-O 3.44Å; N1024-M1045 PolarHBondContact O-N 3.5Å; M1045-L1047 HydrophobicContact CG-CD2 4.02Å; M1045-L1047 HydrophobicContact CG-CG 4.25Å; M1045-L1047 HydrophobicContact SD-CD2 3.95Å; M1045-T1169 VanDerWaalsContact CE-CB 3.42Å; M1045-T1169 WeakPolarHBondContact CE-OG1 3.39Å; M1045-T1169 PolarHBondContact SD-OG1 3.28Å; M1045-P1170 HydrophobicContact CB-CG 4.04Å; M1045-L1171 HydrophobicContact CB-CD1 4.37Å; M1045-L1171 HydrophobicContact CB-CG 4.22Å; M1045-L1171 HydrophobicContact CG-CD1 4.18Å; M1045-L1171 HydrophobicContact SD-CD1 3.59Å; M1045-L1171 VanDerWaalsContact SD-CD1 3.59Å; M1045-L1171 HydrophobicContact SD-CG 4.02Å
1046I86.7Confident67.5Low5 Ų551.6 Ų51.63%0.02628%0.276CS..EExtended strand (participates in β ladder)trans-88.5130.4169.1-55.9142000108.7S828 N829 F831 F1015 C1021 I1022 I1023S828-I1046 WeakPolarHBondContact CA-O 3.35Å; N829-I1046 PolarHBondContact N-O 3.25Å; N829-I1046 PolarHBondContact O-N 3.46Å; F831-I1046 HydrophobicContact CD1-CD1 3.71Å; F831-I1046 HydrophobicContact CD1-CG1 3.84Å; F831-I1046 HydrophobicContact CE1-CD1 4.37Å; F831-I1046 HydrophobicContact CE1-CG1 4.08Å; F831-I1046 HydrophobicContact CG-CD1 4.46Å; F1015-I1046 HydrophobicContact CD1-CD1 3.58Å; F1015-I1046 HydrophobicContact CD1-CG1 4.49Å; F1015-I1046 HydrophobicContact CD2-CD1 4.17Å; F1015-I1046 HydrophobicContact CD2-CG1 4.41Å; F1015-I1046 HydrophobicContact CE1-CD1 3.44Å; F1015-I1046 VanDerWaalsContact CE1-CD1 3.44Å; F1015-I1046 HydrophobicContact CE2-CD1 4.02Å; F1015-I1046 HydrophobicContact CE2-CG1 4.47Å; F1015-I1046 HydrophobicContact CG-CD1 3.97Å; F1015-I1046 HydrophobicContact CG-CG1 4.42Å; F1015-I1046 HydrophobicContact CZ-CD1 3.68Å; C1021-I1046 HydrophobicContact CB-CG2 3.92Å; I1022-I1046 CarbonylContact O-C 3.58Å; I1022-I1046 WeakPolarHBondContact O-CA 3.46Å; I1023-I1046 HydrophobicContact CD1-CG1 4.24Å; I1023-I1046 HydrophobicContact CG1-CG1 3.95Å
1047L84.4Confident65.3Low3 Ų354 Ų542%0.01629%0.292CS..EExtended strand (participates in β ladder)trans-117.1117.8170.9-60.9172.1000108.6Y826 C1021 I1022 M1045 L1171 P1175Y826-L1047 HydrophobicContact CD1-CB 4.1Å; Y826-L1047 HydrophobicContact CG-CB 4.38Å; C1021-L1047 VanDerWaalsContact CA-O 3.31Å; C1021-L1047 WeakPolarHBondContact CA-O 3.49Å; C1021-L1047 WeakPolarHBondContact CB-O 3.49Å; I1022-L1047 PolarHBondContact N-O 2.83Å; I1022-L1047 PolarHBondContact O-N 3.11Å; M1045-L1047 HydrophobicContact CG-CD2 4.02Å; M1045-L1047 HydrophobicContact CG-CG 4.25Å; M1045-L1047 HydrophobicContact SD-CD2 3.95Å; L1047-L1171 HydrophobicContact CD1-CD1 4.47Å; L1047-P1175 HydrophobicContact CD1-CG 4.02Å; L1047-P1175 HydrophobicContact CD2-CG 4.16Å
1048H80.3Confident62.7Low26 Ų2658.5 Ų58.512%0.1232%0.318CS..EExtended strand (participates in β ladder)trans-127.6135.5-179.8-177.1-99.1000111.9Y826 Q827 Y1018 P1020 C1021 T1050Y826-H1048 CarbonylContact C-O 3.43Å; Y826-H1048 WeakPolarHBondContact CA-O 3.39Å; Q827-H1048 PolarHBondContact N-O 3.25Å; Q827-H1048 PolarHBondContact O-N 3.21Å; Y1018-H1048 HydrophobicContact CD1-CB 4.17Å; Y1018-H1048 PolarHBondContact O-CD2 2.9Å; P1020-H1048 PolarHBondContact O-CD2 2.84Å; C1021-H1048 HydrophobicContact CB-CB 4.06Å; H1048-T1050 PolarHBondContact O-N 2.61Å
1049P69.6Low59.8Low14 Ų1466.9 Ų66.99%0.09136%0.357CS..EExtended strand (participates in β ladder)trans-52.9127.2172.7-29.338000112.9W824 Y826 P1020 N1051W824-P1049 HydrophobicContact CE3-CB 3.86Å; W824-P1049 HydrophobicContact CE3-CG 3.73Å; W824-P1049 HydrophobicContact CZ3-CB 4.16Å; W824-P1049 HydrophobicContact CZ3-CG 3.98Å; Y826-P1049 HydrophobicContact CD1-CG 4.5Å; Y826-P1049 HydrophobicContact CE1-CG 4.06Å; P1020-P1049 WeakPolarHBondContact O-CD 3.15Å; P1049-N1051 PolarHBondContact O-N 3.11Å
1050T61.4Low56.9Low53 Ų5376.2 Ų76.233%0.32540%0.397SS..  trans-73.497.6165.562.30000108.3N825 Q827 H1048 S1052N825-T1050 WeakPolarHBondContact CB-OG1 3.29Å; N825-T1050 PolarHBondContact O-N 3.35Å; N825-T1050 PolarHBondContact O-OG1 3.01Å; N825-T1050 VanDerWaalsContact O-OG1 3.11Å; Q827-T1050 HydrophobicContact CB-CG2 4.03Å; Q827-T1050 HydrophobicContact CG-CG2 3.61Å; H1048-T1050 PolarHBondContact O-N 2.61Å; T1050-S1052 PolarHBondContact O-N 3.11Å; T1050-S1052 VanDerWaalsContact O-N 3.15Å
1051N41.6Very low53.8Low94 Ų9484.8 Ų84.850%0.50344%0.437SS..  trans-53122.1160.7-76.1-21.4000107.8P1049 S1053 I1054P1049-N1051 PolarHBondContact O-N 3.11Å; N1051-S1053 PolarHBondContact O-N 2.77Å; N1051-I1054 HydrophobicContact CB-CD1 4.47Å; N1051-I1054 PolarHBondContact O-N 2.75Å
1052S29.7Very low50.8Low125 Ų12593.8 Ų93.887%0.87448%0.479SS*.THydrogen-bonded Turntrans-73.635.1-17456.60000113.5T1050T1050-S1052 PolarHBondContact O-N 3.11Å; T1050-S1052 VanDerWaalsContact O-N 3.15Å
1053S28.1Very low47.7Very low90 Ų9099.5 Ų99.563%0.62951%0.514SS*.THydrogen-bonded Turntrans-136.9-2.6-171.354.70000113.9N1051N1051-S1053 PolarHBondContact O-N 2.77Å
1054I28.9Very low44.7Very low133 Ų133107.3 Ų107.368%0.68255%0.551SS**SBendtrans-100.36.2-178.6-59.3178000112.2N1051N1051-I1054 HydrophobicContact CB-CD1 4.47Å; N1051-I1054 PolarHBondContact O-N 2.75Å
1055T24.9Very low41.7Very low118 Ų118117.1 Ų117.172%0.72459%0.594SS**SBendtrans-113.9127.6167.753.80000110.6
1056R27.8Very low38.7Very low237 Ų237124.7 Ų124.789%0.89464%0.635SS**SBendtrans74.373.7-170.1-54.8176.9173.6172.5-1.9115.1
1057N24.6Very low35.9Very low154 Ų154127.9 Ų127.982%0.82466%0.662SS**SBendtrans-165.2-6.2142-102.4-12000115.9E1059N1057-E1059 VanDerWaalsContact C-N 3.29Å; N1057-E1059 PolarHBondContact O-N 2.77Å
1058D26.1Very low33.3Very low151 Ų151136.7 Ų136.781%0.80770%0.703SS**SBendtrans-86.416.9175.4-77-45.8000115
1059E26.1Very low30.9Very low176 Ų176140 Ų14082%0.82273%0.729SS**SBendtrans-110.7119163.5-73.3-169.8164.700109.6N1057N1057-E1059 VanDerWaalsContact C-N 3.29Å; N1057-E1059 PolarHBondContact O-N 2.77Å
1060K24.6Very low28.9Very low195 Ų195146 Ų14685%0.84876%0.761SS**SBendtrans77.880.1-178-49169.2-174.4173.10116.5
1061Q25.3Very low27.4Very low181 Ų181149.9 Ų149.985%0.84678%0.779SS**  -164.196.7128.9-113.2167.168.500113.4
1062H23.7Very low26.8Very low196 Ų196149.6 Ų149.691%0.90778%0.784SS**SBendtrans-149.923.1147.7-126.3-70.2000114.3
1063T24.5Very low26.7Very low122 Ų122149.2 Ų149.275%0.74878%0.782SS**  trans-135.8140.8161.647.80000105.9
1064M25.7Very low26.7Very low179 Ų179150.7 Ų150.788%0.88279%0.792SS**  cis-144.3-178.1-3.2-116.7170.968.600109
1065F25.5Very low26.5Very low207 Ų207149.3 Ų149.391%0.90879%0.794SS**  trans-59.3147.9167.4-96.3-105.7000111.8
1066N23.9Very low26.8Very low160 Ų160150.2 Ų150.286%0.85680%0.8SS**  trans-58.1161.2163.1-88.4-33.2000111.1
1067A27.7Very low26.8Very low72 Ų72143.5 Ų143.560%0.59579%0.789SS**  cis-155.6168.629.900000115.1
1068Q29.2Very low26.9Very low187 Ų187142.7 Ų142.787%0.87479%0.785SS**  trans69.5138.6157.8-66.4161.9-7.100117.2
1069S29.6Very low27.1Very low95 Ų95141.5 Ų141.566%0.66478%0.779SS**  cis-167.9149.8-11.848.20000110.5
1070N28.6Very low27.2Very low142 Ų142139.5 Ų139.576%0.75977%0.773SS**  trans38.9141.3145.7-61.357.1000120.7
1071D28.6Very low27.3Very low133 Ų133136.3 Ų136.371%0.71177%0.766SS**  cis-156.5-178.29.1-135-58.7000114.1
1072S28.8Very low27.7Very low88 Ų88136.4 Ų136.462%0.61577%0.766SS**  trans-62136.8-164.141.80000122.2
1073S27.6Very low27.9Very low118 Ų118134.5 Ų134.583%0.82576%0.762SS**  trans71.9161.2138.383.20000119.3
1074S29.8Very low28.1Very low120 Ų120134.4 Ų134.484%0.83977%0.767SS**  cis-146.1-177.23.1630000111.6
1075S24.4Very low28.2Very low105 Ų105133.5 Ų133.573%0.73477%0.765SS**  trans-124.7145.1-161.258.10000116.4
1076T30.1Very low28.3Very low137 Ų137129 Ų12984%0.8476%0.759SS**  trans-160127.8146.713.80000115.6
1077S27.5Very low28.4Very low96 Ų96128.3 Ų128.367%0.67176%0.761SS**  trans65.3119.5135.6-60.70000125.3
1078N27.8Very low28.5Very low137 Ų137128.4 Ų128.473%0.73377%0.769SS**  94123.9125.8-69.28.6000123.9
1079N29.2Very low28.4Very low126 Ų126126 Ų12667%0.67476%0.762SS**  trans82.2113.2134.9-65.20.1000123.5
1080N28.8Very low28.4Very low133 Ų133129.4 Ų129.471%0.71177%0.765SS**  72.1125.9128-59.3-6.8000122.8
1081N28Very low28.3Very low129 Ų129128.6 Ų128.669%0.6976%0.761SS**  trans48.5120.7141.2-58.1-4.5000120.8
1082H32.4Very low28.4Very low182 Ų182127.5 Ų127.584%0.84376%0.759SS**  -17616492.6-98.7-72.6000113.1
1083N27.2Very low28.4Very low156 Ų156130.1 Ų130.183%0.83477%0.766SS**  trans-83.6151.4172.1-63.7-24.3000111.8
1084S29.8Very low28.8Very low120 Ų120132.5 Ų132.584%0.83977%0.769SS**  174.1162.2117.459.20000113.6
1085N27.3Very low28.7Very low160 Ų160134.3 Ų134.386%0.85677%0.769SS**  trans-96.5150.1-168.1-45.7-32000114.7
1086S29Very low29.2Very low112 Ų112137.1 Ų137.178%0.78378%0.776SS**  trans-171.9118.3137.357.80000109.3
1087V26.1Very low29Very low146 Ų146137.1 Ų137.189%0.88577%0.771SS**  78.2123.369.2173.70000114
1088G29.5Very low29.2Very low74 Ų74137.1 Ų137.176%0.76378%0.777SS**  trans138.3101-178.300000111.7
1089N27.2Very low29.1Very low137 Ų137138 Ų13873%0.73378%0.782SS**  cis112.4130.97.3-151.146.5000112.8
1090F29.1Very low29.2Very low167 Ų167135.9 Ų135.973%0.73279%0.789SS**  trans68.9148.6-177.1-71.9-98.6000117.4
1091D26.9Very low29.2Very low125 Ų125141 Ų14167%0.66880%0.799SS**  cis-171.5161.2-28.8-115.714.4000112.5
1092V30.8Very low29Very low109 Ų109144.6 Ų144.666%0.66181%0.808SS**  trans62.3113.3145.6174.60000122.3
1093D28.1Very low28.9Very low144 Ų144141 Ų14177%0.7781%0.81SS**  41.4137.3129.7-42.7-21.1000124.3
1094D35.3Very low28.7Very low168 Ų168139 Ų13990%0.89881%0.808SS**  -168.2164.4109.5-118.6-27000113.6
1095D29.1Very low28.8Very low157 Ų157141.2 Ų141.284%0.8481%0.809SS**  trans-83.3163.3-172-92.4-47.4000116.4
1096D33.5Very low28.7Very low164 Ų164141.8 Ų141.888%0.87780%0.804SS**  -176.1163.8112.5-138.5-26.8000115
1097N26.4Very low28.6Very low137 Ų137143.7 Ų143.773%0.73381%0.805SS**  trans-145.7117-167.2171.710.7000114.8
1098A32.2Very low28.7Very low96 Ų96147.6 Ų147.679%0.79380%0.804SS**  trans-150.794.5175.300000118
1099N25.7Very low28.4Very low157 Ų157148.5 Ų148.584%0.8480%0.798SS**  trans14.5119.3144.3-74.8-80.1000121.8
1100G30.5Very low28.4Very low80 Ų80151.5 Ų151.583%0.82581%0.805SS**  trans-115.1138.9159.900000113.1
1101R29.4Very low28.2Very low241 Ų241151.6 Ų151.691%0.90981%0.805SS**  trans-97.3137.4-165.2-68.1174.8177.5155.9-0.8116
1102K24.4Very low28.2Very low205 Ų205153.3 Ų153.389%0.89181%0.809SS**  trans22.5123.8140.5-60.7178.4179.1178.50119.4
1103A28.7Very low28Very low107 Ų107155.2 Ų155.288%0.88482%0.815SS**  trans-146.3149.9138.100000110.5
1104S23.7Very low28Very low112 Ų112155.9 Ų155.978%0.78381%0.813SS**  trans-145.5122.7177.9-177.90000110.1
1105I30.9Very low27.4Very low167 Ų167157.8 Ų157.886%0.85681%0.813SS**  trans-134.8134.3172.9-64-176.2000109
1106K25.5Very low27.4Very low173 Ų173155 Ų15575%0.75280%0.804SS**  trans-94.5145.6176.8-54168.1-177.9174.20109.5
1107N27.4Very low27.1Very low151 Ų151154.1 Ų154.181%0.80781%0.805SS**  165156.7113.5-86.8-33.7000116.1
1108R27.9Very low27.1Very low229 Ų229154.6 Ų154.686%0.86481%0.806SS**  trans74.573.2150.9-81.8-175.7167.5-176.9-3.4122.3
1109S23.8Very low26.8Very low93 Ų93158.2 Ų158.265%0.6581%0.811SS**  35.5119.6108.768.20000122.4
1110K28.3Very low26.7Very low200 Ų200155.5 Ų155.587%0.8781%0.805SS**  trans-165.6122.1132.4-105.3174.6-178.2-177.70105.8
1111F23.1Very low26.6Very low168 Ų168162.1 Ų162.174%0.73781%0.805SS**  49.3114.757.5-67.8-76.2000111
1112H28.2Very low26.5Very low161 Ų161157.2 Ų157.275%0.74580%0.796SS**  cis-154.2168.329.3-95.6-68.7000109.9
1113L26.6Very low26.5Very low150 Ų150157.6 Ų157.679%0.78580%0.797SS**  cis-154.8176.7-1.7-179.254.5000109.5
1114H26.8Very low26.5Very low157 Ų157156.9 Ų156.973%0.72779%0.786SS**  trans-76.4157.8179.5-72-89.5000116.9
1115K24Very low26.7Very low208 Ų208159.6 Ų159.690%0.90479%0.792SS**  -106.2135121.8-101-173176.6-178.60108.5
1116P28.8Very low26.4Very low99 Ų99159.2 Ų159.264%0.64379%0.791SS**  trans-97.9134.2-175.734.9-31.8000113.1
1117T26.7Very low26.5Very low146 Ų146160.6 Ų160.690%0.89680%0.797SS**  trans-98.6122.4153.641.30000108.3
1118L27.3Very low26.7Very low147 Ų147158.8 Ų158.877%0.7780%0.796SS**  trans-12898.3178.9-102.9175.6000111
1119L25.6Very low26.6Very low171 Ų171158.9 Ų158.990%0.89580%0.796SS**  trans-152.277.2164.1-122.4160.2000109.4
1120S23.9Very low26.9Very low101 Ų101159.7 Ų159.771%0.70680%0.802SS**  trans-131.845.6-178.151.70000112.3
1121R28.4Very low26.9Very low219 Ų219158.1 Ų158.183%0.82680%0.802SS**  trans-141.1136.1160.9-69.8-174.4179.3-178.9-0.2108.2
1122L26.4Very low27.1Very low138 Ų138153.9 Ų153.972%0.72381%0.806SS**  cis-155.9129.7-11.1-124165.8000106.9
1123K24.2Very low27.1Very low212 Ų212156 Ų15692%0.92281%0.813SS**  trans-107108.4164.5-106.1-162.3174.7-166.10108.7
1124S28.3Very low27.2Very low93 Ų93159.9 Ų159.965%0.6582%0.817SS**  trans-158.269.2172.761.40000109.8
1125D28.2Very low27.2Very low168 Ų168157.9 Ų157.990%0.89882%0.816SS**  trans-69.3144.6165.2-94.7-56.1000110.5
1126L24.9Very low27.3Very low160 Ų160153.8 Ų153.884%0.83881%0.809SS**  trans-90.8135.2-178.4-77.8156.7000111.5
1127K28.6Very low27.2Very low202 Ų202156.8 Ų156.888%0.87882%0.819SS**  trans177.6144.6138.7-96.9150.8-174-1800110.2
1128S30.2Very low27.1Very low112 Ų112153.4 Ų153.478%0.78381%0.814SS**  cis-163.8163.4-2334.70000109.1
1129R26.7Very low27.2Very low231 Ų231155 Ų15587%0.87282%0.819SS**  trans-63.9137.9-173.8-71.5167.6159.9173.3-7.6115.2
1130S30.1Very low27.1Very low110 Ų110155.8 Ų155.877%0.76982%0.821SS**  -160100.6124.5560000109.6
1131L28.5Very low27.5Very low167 Ų167157.7 Ų157.787%0.87482%0.821SS**  57.291.788.6-83.2163.2000114.9
1132G27.8Very low27.4Very low79 Ų79154.4 Ų154.481%0.81482%0.82SS**  trans-166.5120.5166.400000110.7
1133K27Very low27.2Very low206 Ų206155.3 Ų155.390%0.89683%0.826SS**  trans-97.7132.7-177.7-83-179.3172.2178.80111.9
1134R28.8Very low27.4Very low232 Ų232152.9 Ų152.988%0.87582%0.823SS**  trans157.6109.2136.5-88.2161.9177.3174.4-0.9108.2
1135T27.1Very low27.4Very low115 Ų115156.2 Ų156.271%0.70683%0.833SS**  63.6104.680.962.70000114.4
1136T26.6Very low27.4Very low122 Ų122155.6 Ų155.675%0.74883%0.828SS**  trans63.7134.3151.250.60000120
1137D25.4Very low27.5Very low162 Ų162153.5 Ų153.587%0.86682%0.824SS**  trans70.4120.5160.8-47.9-29.9000118.5
1138G25.6Very low27.4Very low75 Ų75150.7 Ų150.777%0.77382%0.824SS**  trans140.5110.8168.800000115.4
1139M28.5Very low27.2Very low180 Ų180153.4 Ų153.489%0.88783%0.825SS**  trans65112.2155.8-130.5148.169.500118.9
1140M24.2Very low27.2Very low188 Ų188151.4 Ų151.493%0.92683%0.825SS**  trans-97.9123.7161.9-63.4176.669.200109.1
1141I31.9Very low27.1Very low140 Ų140155.3 Ų155.372%0.71883%0.828SS**  trans-139120.5158.3-59.1-176.9000108.8
1142N25.8Very low27.1Very low151 Ų151153.1 Ų153.181%0.80781%0.814SS**  trans6.5115.4161.5-51.3-4.5000118.8
1143N23.5Very low27.1Very low157 Ų157154.3 Ų154.384%0.8481%0.808SS**  trans-102.9135135.1-77.9-38.5000107.1
1144D28.1Very low27.2Very low161 Ų161153.8 Ų153.886%0.86181%0.806SS**  trans176.787.7136.8-93.3-16.8000109.3
1145D28.1Very low27.3Very low163 Ų163149.6 Ų149.687%0.87280%0.797SS**  trans-168.4107.7148.5-113-25.7000110.2
1146I27.8Very low27.3Very low154 Ų154149.5 Ų149.579%0.7979%0.788SS**  trans-137.7107.5172.3-60-180000108.3
1147P27.5Very low27.5Very low116 Ų116149.4 Ų149.475%0.75378%0.777SS**  trans-73.7134.1-178.328.7-33.8000112.1E1149P1147-E1149 PolarHBondContact O-N 3.39Å
1148T26.3Very low27.9Very low144 Ų144146.2 Ų146.288%0.88376%0.759SS**  trans-90.959.4-172.124.20000114.3Q1150T1148-Q1150 PolarHBondContact O-N 3.12Å
1149E25.4Very low27.9Very low169 Ų169148.2 Ų148.279%0.7975%0.752SS**  trans-9678.8174.2-69.4-154.1146.500113.7P1147P1147-E1149 PolarHBondContact O-N 3.39Å
1150Q26.9Very low27.8Very low189 Ų189148.4 Ų148.488%0.88375%0.748SS**SBendtrans-152.322.8165.2-124.8168.759.300116T1148T1148-Q1150 PolarHBondContact O-N 3.12Å
1151K29.5Very low28Very low191 Ų191146.8 Ų146.883%0.8374%0.738SS**SBendtrans-128.2-10.2174.9-82.1-170.3174.1-177.40116.7
1152Q27.6Very low27.8Very low121 Ų121146.9 Ų146.957%0.56574%0.735SS**SBendtrans-85-19.9-176.7-67-173.9-6.600114.5K1154 Q1155 Q1156Q1152-K1154 PolarHBondContact O-N 3.06Å; Q1152-Q1155 PolarHBondContact O-N 3.35Å; Q1152-Q1156 HydrophobicContact CB-CG 4.23Å; Q1152-Q1156 PolarHBondContact O-N 3.07Å
1153C28.1Very low28.2Very low104 Ų104147.6 Ų147.670%0.70374%0.738SS**THydrogen-bonded Turntrans-68.8-4.4-171.3-1560000115.5
1154K29.6Very low29.3Very low196 Ų196145.3 Ų145.385%0.85273%0.734SS**THydrogen-bonded Turntrans-103.5-0.8170.4-83.7-162.5174-170.20115Q1152Q1152-K1154 PolarHBondContact O-N 3.06Å
1155Q29.2Very low31.3Very low144 Ų144139.8 Ų139.867%0.67372%0.715SS**THydrogen-bonded Turntrans-122.3-26.9178.3-79.3171.8-71.300113.6Q1152 F1157 I1158Q1152-Q1155 PolarHBondContact O-N 3.35Å; Q1155-F1157 PolarHBondContact O-N 2.93Å; Q1155-I1158 PolarHBondContact O-N 3.39Å
1156Q27.6Very low34.1Very low113 Ų113133.3 Ų133.353%0.52868%0.682SS.*THydrogen-bonded Turntrans-64-6.3177.2-72.7177.7-15.300115.6Q1152Q1152-Q1156 HydrophobicContact CB-CG 4.23Å; Q1152-Q1156 PolarHBondContact O-N 3.07Å
1157F32.1Very low37.1Very low119 Ų119128.1 Ų128.152%0.52266%0.656SS.*THydrogen-bonded Turntrans-83.8-12.4176.3-102-80.6000114.6Q1155Q1155-F1157 PolarHBondContact O-N 2.93Å
1158I32.6Very low40.1Very low95 Ų95123.3 Ų123.349%0.48762%0.624SS.*THydrogen-bonded Turntrans-91.7-41-177.2-63.5177.8000111.4T875 Q1155 K1160T875-I1158 HydrophobicContact CG2-CG2 3.92Å; Q1155-I1158 PolarHBondContact O-N 3.39Å; I1158-K1160 VanDerWaalsContact C-N 3.27Å; I1158-K1160 PolarHBondContact O-N 3.45Å; I1158-K1160 VanDerWaalsContact O-N 3.08Å
1159D25.4Very low43.1Very low118 Ų118116.5 Ų116.563%0.63158%0.582SS**THydrogen-bonded Turntrans-85.121.3-166.2-57.2-35.3000115.3
1160K27.3Very low46.1Very low183 Ų183109.4 Ų109.480%0.79655%0.55SS**THydrogen-bonded Turntrans-120.211.9-179.3-82-171.4175.1178.40115.9I1158 H1162I1158-K1160 VanDerWaalsContact C-N 3.27Å; I1158-K1160 PolarHBondContact O-N 3.45Å; I1158-K1160 VanDerWaalsContact O-N 3.08Å; K1160-H1162 VanDerWaalsContact C-N 3.29Å; K1160-H1162 PolarHBondContact O-N 3.34Å
1161Q28.7Very low49.1Very low154 Ų154100.6 Ų100.672%0.7251%0.509SS*.  trans-78.8-1177.5-71.8-168.2-26.900115.4I1163Q1161-I1163 PolarHBondContact O-N 3.06Å
1162H27.3Very low52Low142 Ų14291.6 Ų91.666%0.65747%0.47SS*.THydrogen-bonded Turntrans-71.9117.3179.3-94-105.5000112.8K1160K1160-H1162 VanDerWaalsContact C-N 3.29Å; K1160-H1162 PolarHBondContact O-N 3.34Å
1163I34.7Very low54.8Low167 Ų16788.8 Ų88.886%0.85646%0.464SS*.THydrogen-bonded Turntrans79.810.9157.7-49.3169.4000116.5Q1161Q1161-I1163 PolarHBondContact O-N 3.06Å
1164S46.6Very low57.5Low108 Ų10884.1 Ų84.176%0.75543%0.432SS*.THydrogen-bonded Turntrans-145.623160.364.70000115.8
1165G69.8Low59.9Low46 Ų4676.7 Ų76.747%0.47440%0.404SS..  trans-80.4153.817800000114.3
1166C87.1Confident62.2Low26 Ų2671.6 Ų71.618%0.17638%0.382CS..  trans-72.6132165.4-174.60000110.4L1168 T1222 T1223 N1228C1166-L1168 PolarHBondContact O-N 2.68Å; C1166-T1222 WeakPolarHBondContact SG-CG2 3.43Å; C1166-T1223 HydrophobicContact CB-CG2 4.07Å; C1166-N1228 WeakPolarHBondContact CA-O 3.5Å
1167I89.7Confident64.9Low45 Ų4566.7 Ų66.723%0.23136%0.359CS..EExtended strand (participates in β ladder)trans-83109.3172.5-56.7178000109I1174 N1228 A1229 L1230 I1262 W1264I1167-I1174 HydrophobicContact CB-CD1 4.4Å; I1167-I1174 HydrophobicContact CG2-CD1 3.7Å; I1167-N1228 PolarHBondContact N-O 3.15Å; I1167-A1229 HydrophobicContact CB-CB 4.33Å; I1167-A1229 CarbonylContact O-C 3.59Å; I1167-A1229 WeakPolarHBondContact O-CA 3.44Å; I1167-L1230 PolarHBondContact O-N 3.08Å; I1167-I1262 HydrophobicContact CD1-CD1 4.44Å; I1167-W1264 HydrophobicContact CD1-CZ2 3.94Å
1168L90.4Very high67.6Low16 Ų1665.9 Ų65.98%0.08435%0.353CS..EExtended strand (participates in β ladder)trans-81.9134.2168.6-49.6-177.6000108.4S830 C1166 Q1215 V1218 L1230 Y1233S830-L1168 VanDerWaalsContact CB-O 3.27Å; S830-L1168 WeakPolarHBondContact CB-O 3.37Å; S830-L1168 PolarHBondContact OG-O 2.66Å; C1166-L1168 PolarHBondContact O-N 2.68Å; L1168-Q1215 HydrophobicContact CD1-CB 3.67Å; L1168-Q1215 HydrophobicContact CD1-CG 3.54Å; L1168-V1218 HydrophobicContact CD2-CG1 4.38Å; L1168-L1230 HydrophobicContact CD2-CB 3.73Å; L1168-L1230 HydrophobicContact CD2-CD2 4.08Å; L1168-Y1233 HydrophobicContact CB-CD1 4.28Å; L1168-Y1233 HydrophobicContact CB-CG 4.28Å; L1168-Y1233 HydrophobicContact CD1-CE2 4.44Å
1169T90.2Very high70.4Confident0 Ų062.1 Ų62.10%034%0.335CS..  trans-150.7133.9178.2179.60000113.1M1045 L1171 I1174 L1230 L1231 S1232 Y1233M1045-T1169 VanDerWaalsContact CE-CB 3.42Å; M1045-T1169 WeakPolarHBondContact CE-OG1 3.39Å; M1045-T1169 PolarHBondContact SD-OG1 3.28Å; T1169-L1171 PolarHBondContact O-N 2.72Å; T1169-L1171 PolarHBondContact OG1-N 3.31Å; T1169-L1171 VanDerWaalsContact OG1-N 3.13Å; T1169-I1174 HydrophobicContact CG2-CD1 3.89Å; T1169-I1174 HydrophobicContact CG2-CG1 3.86Å; T1169-L1230 PolarHBondContact N-O 3.22Å; T1169-L1231 HydrophobicContact CG2-CD2 3.61Å; T1169-L1231 CarbonylContact O-C 3.58Å; T1169-S1232 PolarHBondContact O-N 3.43Å; T1169-Y1233 WeakPolarHBondContact O-CB 3.34Å; T1169-Y1233 PolarHBondContact O-N 3.31Å
1170P88.7Confident73.4Confident20 Ų2059.6 Ų59.613%0.1332%0.319CS..SBendtrans-70-7.2171.430.7-36.4000113.9A1025 M1045 Y1233A1025-P1170 HydrophobicContact CB-CB 4.2Å; A1025-P1170 HydrophobicContact CB-CG 4.23Å; M1045-P1170 HydrophobicContact CB-CG 4.04Å; P1170-Y1233 WeakPolarHBondContact CA-O 3.38Å
1171L89.7Confident76.4Confident4 Ų452.3 Ų52.32%0.02129%0.293CS..SBendtrans-82143.5177-54.1-177.2000111.6E782 N1024 A1025 M1045 L1047 T1169 S1173 S1232E782-L1171 HydrophobicContact CB-CD2 4.19Å; E782-L1171 HydrophobicContact CG-CD2 4.19Å; N1024-L1171 HydrophobicContact CB-CD2 3.89Å; A1025-L1171 HydrophobicContact CB-CD2 3.71Å; M1045-L1171 HydrophobicContact CB-CD1 4.37Å; M1045-L1171 HydrophobicContact CB-CG 4.22Å; M1045-L1171 HydrophobicContact CG-CD1 4.18Å; M1045-L1171 HydrophobicContact SD-CD1 3.59Å; M1045-L1171 VanDerWaalsContact SD-CD1 3.59Å; M1045-L1171 HydrophobicContact SD-CG 4.02Å; L1047-L1171 HydrophobicContact CD1-CD1 4.47Å; T1169-L1171 PolarHBondContact O-N 2.72Å; T1169-L1171 PolarHBondContact OG1-N 3.31Å; T1169-L1171 VanDerWaalsContact OG1-N 3.13Å; L1171-S1173 WeakPolarHBondContact CB-O 3.15Å; L1171-S1173 PolarHBondContact O-N 2.59Å; L1171-S1232 PolarHBondContact O-N 3.38Å
1172S89.5Confident79.3Confident2 Ų246 Ų461%0.01426%0.263CS..SBendtrans-66.2-19.2172-59.30000113.3C149 T151 E782C149-S1172 WeakPolarHBondContact CA-OG 3.17Å; C149-S1172 VanDerWaalsContact CB-CB 3.41Å; C149-S1172 WeakPolarHBondContact CB-OG 3.27Å; T151-S1172 WeakPolarHBondContact OG1-CB 3.41Å; E782-S1172 PolarHBondContact OE1-OG 3.42Å; E782-S1172 WeakPolarHBondContact OE2-CB 3.44Å; E782-S1172 PolarHBondContact OE2-N 3.1Å; E782-S1172 PolarHBondContact OE2-OG 3.17Å
1173S85.9Confident82.3Confident63 Ų6339.6 Ų39.644%0.44123%0.233SC..SBendtrans-155.5147.2176.557.70000110.9L1171L1171-S1173 WeakPolarHBondContact CB-O 3.15Å; L1171-S1173 PolarHBondContact O-N 2.59Å
1174I84.8Confident84.9Confident5 Ų532.2 Ų32.23%0.02620%0.198CC..  trans-97.2134.4175.6-54.7-176.8000109.6I1167 T1169 T1177 L1231 I1262I1167-I1174 HydrophobicContact CB-CD1 4.4Å; I1167-I1174 HydrophobicContact CG2-CD1 3.7Å; T1169-I1174 HydrophobicContact CG2-CD1 3.89Å; T1169-I1174 HydrophobicContact CG2-CG1 3.86Å; I1174-T1177 HydrophobicContact CB-CG2 4.06Å; I1174-T1177 HydrophobicContact CG2-CG2 4.09Å; I1174-T1177 PolarHBondContact O-N 3.49Å; I1174-T1177 PolarHBondContact O-OG1 2.97Å; I1174-L1231 HydrophobicContact CD1-CD2 4.45Å; I1174-L1231 HydrophobicContact CG1-CD2 4.12Å; I1174-I1262 HydrophobicContact CD1-CD1 3.88Å
1175P80Confident86.9Confident41 Ų4127.5 Ų27.527%0.26617%0.165SC..THydrogen-bonded Turntrans-52.9144.5174.3-27.235.6000113.3Y826 L1047 T1177Y826-P1175 HydrophobicContact CD2-CB 4.17Å; L1047-P1175 HydrophobicContact CD1-CG 4.02Å; L1047-P1175 HydrophobicContact CD2-CG 4.16Å; P1175-T1177 PolarHBondContact O-N 2.94Å
1176N77.8Confident87.9Confident37 Ų3725.4 Ų25.420%0.19814%0.143CC..THydrogen-bonded Turntrans58.325.6-179.6-47.213.4000113.7W824 N825 E1265W824-N1176 PolarHBondContact O-ND2 3.4Å; N825-N1176 WeakPolarHBondContact CA-ND2 3.49Å; N825-N1176 PolarHBondContact OD1-ND2 3.03Å; N1176-E1265 PolarHBondContact O-N 3.23Å
1177T85Confident87.9Confident9 Ų924.8 Ų24.86%0.05514%0.138CC..EExtended strand (participates in β ladder)trans-127.2156.9172.673.90000111.4Q154 I1174 P1175 I1262 S1263 W1264Q154-T1177 PolarHBondContact NE2-O 3.08Å; I1174-T1177 HydrophobicContact CB-CG2 4.06Å; I1174-T1177 HydrophobicContact CG2-CG2 4.09Å; I1174-T1177 PolarHBondContact O-N 3.49Å; I1174-T1177 PolarHBondContact O-OG1 2.97Å; P1175-T1177 PolarHBondContact O-N 2.94Å; T1177-I1262 HydrophobicContact CG2-CD1 4.25Å; T1177-S1263 CarbonylContact C-O 3.55Å; T1177-S1263 VanDerWaalsContact CA-O 3.32Å; T1177-S1263 WeakPolarHBondContact CA-O 3.36Å; T1177-W1264 HydrophobicContact CG2-CD2 3.89Å; T1177-W1264 HydrophobicContact CG2-CE3 3.44Å; T1177-W1264 VanDerWaalsContact CG2-CE3 3.44Å; T1177-W1264 HydrophobicContact CG2-CH2 4.01Å; T1177-W1264 HydrophobicContact CG2-CZ2 4.41Å; T1177-W1264 HydrophobicContact CG2-CZ3 3.51Å
1178Y89.3Confident87.8Confident103 Ų10323.4 Ų23.440%0.40413%0.13SC..EExtended strand (participates in β ladder)trans-126.3136.3167.166-80.3000111E1180 I1262 S1263Y1178-E1180 HydrophobicContact CD2-CG 4.29Å; Y1178-E1180 HydrophobicContact CE2-CG 3.81Å; Y1178-E1180 PolarHBondContact O-N 3.49Å; Y1178-I1262 WeakPolarHBondContact O-CA 3.41Å; Y1178-S1263 WeakPolarHBondContact CD1-O 3.5Å; Y1178-S1263 VanDerWaalsContact CZ-CB 3.46Å; Y1178-S1263 PolarHBondContact N-O 3.32Å; Y1178-S1263 PolarHBondContact O-N 2.99Å
1179V90.5Very high87.6Confident15 Ų1523.3 Ų23.39%0.09113%0.129CC..EExtended strand (participates in β ladder)trans-73.1111.7172.2-176.90000109Q154 Y1182 L1231 A1260 I1262Q154-V1179 HydrophobicContact CB-CB 4.3Å; Q154-V1179 HydrophobicContact CB-CG2 4.27Å; V1179-Y1182 HydrophobicContact CB-CE2 4Å; V1179-Y1182 HydrophobicContact CG1-CD1 4.48Å; V1179-Y1182 HydrophobicContact CG1-CD2 3.62Å; V1179-Y1182 HydrophobicContact CG1-CE1 4.45Å; V1179-Y1182 HydrophobicContact CG1-CE2 3.58Å; V1179-Y1182 HydrophobicContact CG1-CG 4.09Å; V1179-Y1182 HydrophobicContact CG2-CE2 4.22Å; V1179-L1231 HydrophobicContact CG2-CD1 3.69Å; V1179-A1260 HydrophobicContact CG1-CB 4.11Å; V1179-I1262 HydrophobicContact CG2-CG2 3.9Å
1180E88.9Confident87.5Confident66 Ų6623.7 Ų23.731%0.30813%0.13SC..EExtended strand (participates in β ladder)trans-70.2-42.5172.1-61.2-171.3173.800111.1Y1178 R1261 S1263Y1178-E1180 HydrophobicContact CD2-CG 4.29Å; Y1178-E1180 HydrophobicContact CE2-CG 3.81Å; Y1178-E1180 PolarHBondContact O-N 3.49Å; E1180-R1261 PolarHBondContact N-O 2.87Å; E1180-R1261 IonicContact OE2-CZ 2.87Å; E1180-R1261 IonicContact OE2-NE 2.66Å; E1180-R1261 PolarHBondContact OE2-NE 2.63Å; E1180-R1261 IonicContact OE2-NH2 2.74Å; E1180-R1261 PolarHBondContact OE2-NH2 3.31Å; E1180-S1263 VanDerWaalsContact OE1-CB 3.3Å; E1180-S1263 WeakPolarHBondContact OE1-CB 3.47Å; E1180-S1263 PolarHBondContact OE1-OG 3.49Å
1181A89.1Confident87.5Confident30 Ų3022.8 Ų22.825%0.24813%0.125CC..EExtended strand (participates in β ladder)trans-153.7127.5-17800000111.2L1183 A1260 R1261A1181-L1183 HydrophobicContact CB-CD2 4.22Å; A1181-A1260 WeakPolarHBondContact O-CA 3.42Å; A1181-R1261 PolarHBondContact N-O 2.61Å; A1181-R1261 PolarHBondContact O-N 3.28Å
1182Y90.8Very high87.4Confident21 Ų2123.5 Ų23.58%0.08213%0.127CC..EExtended strand (participates in β ladder)trans-74.5137.8156.8-69.1-92000108.7Q101 Y147 P153 Q154 F156 V1179 L1231 D1258Q101-Y1182 PolarHBondContact NE2-O 3.18Å; Y147-Y1182 HydrophobicContact CD1-CD1 4.21Å; Y147-Y1182 HydrophobicContact CD1-CE1 4.37Å; Y147-Y1182 AromaticContact CE1-CD1 3.81Å; Y147-Y1182 HydrophobicContact CE1-CD1 3.81Å; Y147-Y1182 HydrophobicContact CE1-CD2 4.17Å; Y147-Y1182 HydrophobicContact CE1-CE1 4.22Å; Y147-Y1182 AromaticContact CE1-CG 3.78Å; Y147-Y1182 HydrophobicContact CE1-CG 3.78Å; P153-Y1182 WeakPolarHBondContact CA-OH 3.45Å; P153-Y1182 HydrophobicContact CB-CD2 4.36Å; P153-Y1182 HydrophobicContact CB-CE1 4.39Å; P153-Y1182 HydrophobicContact CB-CE2 3.68Å; Q154-Y1182 PolarHBondContact N-OH 3.1Å; F156-Y1182 HydrophobicContact CE2-CD2 4.12Å; V1179-Y1182 HydrophobicContact CB-CE2 4Å; V1179-Y1182 HydrophobicContact CG1-CD1 4.48Å; V1179-Y1182 HydrophobicContact CG1-CD2 3.62Å; V1179-Y1182 HydrophobicContact CG1-CE1 4.45Å; V1179-Y1182 HydrophobicContact CG1-CE2 3.58Å; V1179-Y1182 HydrophobicContact CG1-CG 4.09Å; V1179-Y1182 HydrophobicContact CG2-CE2 4.22Å; Y1182-L1231 HydrophobicContact CE1-CD1 4.05Å; Y1182-D1258 HydrophobicContact CD1-CB 4.35Å; Y1182-D1258 HydrophobicContact CE1-CB 4.43Å
1183L89.7Confident87.4Confident7 Ų724 Ų244%0.03713%0.13CC..EExtended strand (participates in β ladder)trans-111.11.2-173-57.1176.9000113P95 Q101 A1181 L1225 G1227 M1259P95-L1183 WeakPolarHBondContact CB-O 3.37Å; Q101-L1183 VanDerWaalsContact NE2-C 3.33Å; Q101-L1183 VanDerWaalsContact NE2-CA 3.34Å; Q101-L1183 PolarHBondContact OE1-O 3.22Å; Q101-L1183 VanDerWaalsContact OE1-O 3.05Å; A1181-L1183 HydrophobicContact CB-CD2 4.22Å; L1183-L1225 HydrophobicContact CD1-CB 4.12Å; L1183-G1227 VanDerWaalsContact CD1-N 3.31Å; L1183-M1259 HydrophobicContact CB-CB 4.13Å; L1183-M1259 PolarHBondContact N-O 2.84Å
1184G88.5Confident87.5Confident12 Ų1221.6 Ų21.612%0.12411%0.112CC..EExtended strand (participates in β ladder)trans122.2165179.900000112.4M1259G1184-M1259 PolarHBondContact O-N 2.87Å
1185N90.5Very high87.6Confident9 Ų924.4 Ų24.45%0.04813%0.13CC..EExtended strand (participates in β ladder)trans-73.1155.316664.2-68.7000110.1F146 Q203 D1187 G1257 M1259F146-N1185 HydrophobicContact CB-CB 4.2Å; Q203-N1185 VanDerWaalsContact NE2-CG 3.34Å; Q203-N1185 PolarHBondContact NE2-ND2 3.22Å; Q203-N1185 PolarHBondContact NE2-OD1 2.87Å; Q203-N1185 PolarHBondContact OE1-ND2 3.3Å; N1185-D1187 PolarHBondContact ND2-OD2 3.4Å; N1185-G1257 WeakPolarHBondContact CA-O 3.25Å; N1185-M1259 WeakPolarHBondContact O-CE 3.45Å
1186L89.8Confident87.9Confident3 Ų325.8 Ų25.82%0.01613%0.134CC..EExtended strand (participates in β ladder)trans-121128.5168.2174.8133.5000107.9F1188 V1218 H1221 L1230 V1255 C1256 G1257 M1259L1186-F1188 HydrophobicContact CD1-CD2 4.05Å; L1186-F1188 HydrophobicContact CD1-CE2 4.25Å; L1186-F1188 HydrophobicContact CD2-CB 4.45Å; L1186-F1188 HydrophobicContact CD2-CD2 4.43Å; L1186-F1188 HydrophobicContact CG-CD2 3.84Å; L1186-F1188 HydrophobicContact CG-CE2 4.4Å; L1186-V1218 HydrophobicContact CD1-CG1 4.04Å; L1186-V1218 HydrophobicContact CD2-CG1 3.81Å; L1186-V1218 HydrophobicContact CD2-CG2 4.18Å; L1186-H1221 HydrophobicContact CD1-CB 4.37Å; L1186-L1230 HydrophobicContact CB-CD1 4.08Å; L1186-L1230 HydrophobicContact CD2-CD2 4.35Å; L1186-V1255 HydrophobicContact CD2-CG1 4.12Å; L1186-C1256 CarbonylContact O-C 3.58Å; L1186-C1256 WeakPolarHBondContact O-CA 3.47Å; L1186-G1257 PolarHBondContact N-O 3.5Å; L1186-G1257 PolarHBondContact O-N 3.11Å; L1186-M1259 HydrophobicContact CB-CE 4.02Å; L1186-M1259 HydrophobicContact CB-CG 4.01Å; L1186-M1259 HydrophobicContact CB-SD 4.03Å; L1186-M1259 HydrophobicContact CD1-CG 4.47Å; L1186-M1259 HydrophobicContact CD1-SD 3.8Å
1187D87.9Confident88.2Confident13 Ų1324.6 Ų24.67%0.0713%0.128CC..EExtended strand (participates in β ladder)trans-135.6106.4174-72.2-75.9000108.4H148 L223 N1185 C1256H148-D1187 IonicContact CE1-OD1 2.72Å; H148-D1187 PolarHBondContact CE1-OD1 2.72Å; H148-D1187 IonicContact CE1-OD2 3.42Å; H148-D1187 PolarHBondContact CE1-OD2 3.32Å; H148-D1187 IonicContact NE2-OD1 3.43Å; H148-D1187 PolarHBondContact NE2-OD1 3.2Å; H148-D1187 IonicContact NE2-OD2 3.43Å; L223-D1187 HydrophobicContact CD2-CB 4.36Å; N1185-D1187 PolarHBondContact ND2-OD2 3.4Å; D1187-C1256 VanDerWaalsContact OD1-CB 3.29Å; D1187-C1256 WeakPolarHBondContact OD1-CB 3.48Å
1188F86.7Confident88.2Confident15 Ų1534 Ų347%0.06616%0.163CC..EExtended strand (participates in β ladder)trans-135.2117.4-173.4-93.9-113.1000111.8Y90 D92 L1186 F1190 H1221 V1255Y90-F1188 WeakPolarHBondContact O-CE1 3.29Å; Y90-F1188 WeakPolarHBondContact O-CZ 3.33Å; D92-F1188 HydrophobicContact CB-CE2 4.19Å; L1186-F1188 HydrophobicContact CD1-CD2 4.05Å; L1186-F1188 HydrophobicContact CD1-CE2 4.25Å; L1186-F1188 HydrophobicContact CD2-CB 4.45Å; L1186-F1188 HydrophobicContact CD2-CD2 4.43Å; L1186-F1188 HydrophobicContact CG-CD2 3.84Å; L1186-F1188 HydrophobicContact CG-CE2 4.4Å; F1188-F1190 HydrophobicContact CB-CD2 4.38Å; F1188-F1190 HydrophobicContact CB-CE2 3.65Å; F1188-F1190 HydrophobicContact CB-CZ 4.24Å; F1188-F1190 HydrophobicContact CD1-CE2 4.21Å; F1188-F1190 AromaticContact CD1-CZ 3.94Å; F1188-F1190 HydrophobicContact CD1-CZ 3.94Å; F1188-F1190 HydrophobicContact CG-CE2 4.41Å; F1188-H1221 AromaticContact CE1-NE2 4Å; F1188-H1221 AromaticContact CZ-CE1 3.96Å; F1188-V1255 PolarHBondContact N-O 2.83Å; F1188-V1255 PolarHBondContact O-N 2.97Å
1189F86.5Confident88.1Confident14 Ų1437 Ų376%0.06118%0.18CC..EExtended strand (participates in β ladder)trans-87.1147.2167.4-65.4-97.6000110.6Q193 F196 L223 F225 L1252 L1253 N1254Q193-F1189 PolarHBondContact NE2-O 3.1Å; F196-F1189 HydrophobicContact CB-CB 3.64Å; F196-F1189 HydrophobicContact CB-CD1 4.33Å; F196-F1189 HydrophobicContact CB-CD2 3.83Å; F196-F1189 HydrophobicContact CB-CG 3.68Å; F196-F1189 HydrophobicContact CD2-CB 3.89Å; F196-F1189 HydrophobicContact CD2-CD1 4.42Å; F196-F1189 HydrophobicContact CD2-CG 4.3Å; F196-F1189 HydrophobicContact CG-CB 4.09Å; F196-F1189 HydrophobicContact CG-CD1 4.33Å; F196-F1189 HydrophobicContact CG-CG 4.13Å; L223-F1189 HydrophobicContact CD2-CE2 4.16Å; L223-F1189 HydrophobicContact CD2-CZ 4.21Å; F225-F1189 HydrophobicContact CB-CE1 4.08Å; F225-F1189 HydrophobicContact CB-CZ 4.32Å; F225-F1189 HydrophobicContact CD1-CE1 4.42Å; F225-F1189 HydrophobicContact CD2-CD1 4.24Å; F225-F1189 AromaticContact CD2-CE1 3.23Å; F225-F1189 HydrophobicContact CD2-CE1 3.23Å; F225-F1189 AromaticContact CD2-CZ 3.48Å; F225-F1189 HydrophobicContact CD2-CZ 3.48Å; F225-F1189 VanDerWaalsContact CD2-CZ 3.48Å; F225-F1189 HydrophobicContact CE2-CD1 4.15Å; F225-F1189 AromaticContact CE2-CE1 3.56Å; F225-F1189 HydrophobicContact CE2-CE1 3.56Å; F225-F1189 HydrophobicContact CE2-CZ 4.02Å; F225-F1189 AromaticContact CG-CE1 3.71Å; F225-F1189 HydrophobicContact CG-CE1 3.71Å; F225-F1189 HydrophobicContact CG-CZ 4.18Å; F225-F1189 HydrophobicContact CZ-CE1 4.25Å; F1189-L1252 HydrophobicContact CD1-CD1 4.39Å; F1189-L1253 CarbonylContact C-O 3.6Å; F1189-L1253 WeakPolarHBondContact CA-O 3.48Å; F1189-N1254 HydrophobicContact CD1-CB 3.74Å; F1189-N1254 HydrophobicContact CE1-CB 3.62Å; F1189-N1254 VanDerWaalsContact CE1-CG 3.4Å; F1189-N1254 WeakPolarHBondContact CE1-ND2 3.32Å; F1189-N1254 HydrophobicContact CG-CB 4.49Å; F1189-N1254 HydrophobicContact CZ-CB 4.29Å; F1189-N1254 VanDerWaalsContact CZ-ND2 3.32Å; F1189-N1254 WeakPolarHBondContact CZ-ND2 3.41Å
1190F87.8Confident87.8Confident8 Ų838.8 Ų38.84%0.03519%0.191CC..EExtended strand (participates in β ladder)trans-137.2126.2175.3-67.3-95.6000110.9Y112 F1188 V1214 V1217 V1218 L1253Y112-F1190 HydrophobicContact CD1-CD1 4.41Å; Y112-F1190 HydrophobicContact CE1-CD1 4.04Å; Y112-F1190 HydrophobicContact CE2-CD1 4.42Å; F1188-F1190 HydrophobicContact CB-CD2 4.38Å; F1188-F1190 HydrophobicContact CB-CE2 3.65Å; F1188-F1190 HydrophobicContact CB-CZ 4.24Å; F1188-F1190 HydrophobicContact CD1-CE2 4.21Å; F1188-F1190 AromaticContact CD1-CZ 3.94Å; F1188-F1190 HydrophobicContact CD1-CZ 3.94Å; F1188-F1190 HydrophobicContact CG-CE2 4.41Å; F1190-V1214 HydrophobicContact CB-CG2 3.81Å; F1190-V1214 HydrophobicContact CD1-CG2 3.89Å; F1190-V1214 HydrophobicContact CD2-CB 4.3Å; F1190-V1214 HydrophobicContact CD2-CG1 3.77Å; F1190-V1214 HydrophobicContact CD2-CG2 3.62Å; F1190-V1214 HydrophobicContact CE1-CG2 4.32Å; F1190-V1214 HydrophobicContact CE2-CB 4.32Å; F1190-V1214 HydrophobicContact CE2-CG1 3.62Å; F1190-V1214 HydrophobicContact CE2-CG2 4.07Å; F1190-V1214 HydrophobicContact CG-CG2 3.51Å; F1190-V1214 HydrophobicContact CZ-CG1 4.25Å; F1190-V1214 HydrophobicContact CZ-CG2 4.4Å; F1190-V1217 HydrophobicContact CE1-CB 4.07Å; F1190-V1217 HydrophobicContact CE1-CG1 3.84Å; F1190-V1217 HydrophobicContact CE1-CG2 4.25Å; F1190-V1217 HydrophobicContact CZ-CB 4.01Å; F1190-V1217 HydrophobicContact CZ-CG1 3.72Å; F1190-V1218 HydrophobicContact CE2-CG2 4.13Å; F1190-V1218 HydrophobicContact CZ-CG2 4.22Å; F1190-L1253 HydrophobicContact CB-CB 4.5Å; F1190-L1253 PolarHBondContact N-O 3.45Å; F1190-L1253 PolarHBondContact O-N 3.04Å
1191V88.5Confident87.5Confident2 Ų238.3 Ų38.31%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-97.1121.7168.8-174.80000109.8T114 N189 R192 Q193 F196 Q1250 L1252T114-V1191 VanDerWaalsContact CB-O 3.29Å; T114-V1191 WeakPolarHBondContact CB-O 3.28Å; T114-V1191 HydrophobicContact CG2-CB 4.49Å; T114-V1191 VanDerWaalsContact CG2-O 3.32Å; T114-V1191 WeakPolarHBondContact CG2-O 3.35Å; N189-V1191 HydrophobicContact CB-CB 4.42Å; N189-V1191 HydrophobicContact CB-CG1 3.76Å; N189-V1191 WeakPolarHBondContact OD1-CG1 3.45Å; R192-V1191 HydrophobicContact CB-CG2 4.14Å; Q193-V1191 HydrophobicContact CB-CG2 4.46Å; F196-V1191 HydrophobicContact CD2-CG2 4.33Å; F196-V1191 HydrophobicContact CE2-CG2 3.88Å; V1191-Q1250 HydrophobicContact CG1-CG 4.3Å; V1191-L1252 HydrophobicContact CG2-CD1 4.08Å
1192R89Confident87.1Confident19 Ų1938.1 Ų38.17%0.07221%0.205CC..EExtended strand (participates in β ladder)trans-118.9140.4172.8-165.175.8170.872.32.1110.3Y112 T114 M115 H116 G117 F1206 E1213 Q1250 C1251Y112-R1192 VanDerWaalsContact OH-CD 3.26Å; Y112-R1192 WeakPolarHBondContact OH-CD 3.36Å; T114-R1192 WeakPolarHBondContact O-CD 3.46Å; T114-R1192 PolarHBondContact O-NH1 2.9Å; M115-R1192 PolarHBondContact O-NH1 3.17Å; H116-R1192 VanDerWaalsContact C-NH2 3.31Å; H116-R1192 PolarHBondContact O-NH2 2.85Å; G117-R1192 VanDerWaalsContact N-CZ 3.3Å; R1192-F1206 HydrophobicContact CB-CE2 4.41Å; R1192-F1206 HydrophobicContact CB-CZ 4.01Å; R1192-F1206 HydrophobicContact CG-CE2 3.63Å; R1192-F1206 HydrophobicContact CG-CZ 3.74Å; R1192-E1213 WeakPolarHBondContact CD-OE2 3.34Å; R1192-E1213 IonicContact CZ-OE1 3.72Å; R1192-E1213 IonicContact CZ-OE2 2.71Å; R1192-E1213 IonicContact NE-OE1 3.27Å; R1192-E1213 PolarHBondContact NE-OE1 3.46Å; R1192-E1213 IonicContact NE-OE2 2.65Å; R1192-E1213 PolarHBondContact NE-OE2 3.45Å; R1192-E1213 IonicContact NH2-OE1 3.87Å; R1192-E1213 PolarHBondContact NH2-OE1 3.01Å; R1192-E1213 IonicContact NH2-OE2 3.41Å; R1192-Q1250 CarbonylContact O-C 3.59Å; R1192-Q1250 WeakPolarHBondContact O-CA 3.39Å; R1192-Q1250 WeakPolarHBondContact O-CG 3.33Å; R1192-C1251 PolarHBondContact N-O 3.45Å; R1192-C1251 PolarHBondContact O-N 3.32Å
1193E88.4Confident86.5Confident13 Ų1337.6 Ų37.66%0.06120%0.203CC..EExtended strand (participates in β ladder)trans-133.6144.3171.9-175.9-174.8158.600109.9T114 M115 S185 N189 A1249 Q1250T114-E1193 PolarHBondContact O-N 2.85Å; T114-E1193 VanDerWaalsContact O-O 3.12Å; M115-E1193 WeakPolarHBondContact CA-O 3.34Å; M115-E1193 HydrophobicContact CE-CB 4.07Å; M115-E1193 HydrophobicContact CE-CG 3.78Å; M115-E1193 HydrophobicContact SD-CB 3.8Å; M115-E1193 VanDerWaalsContact SD-CD 3.59Å; M115-E1193 HydrophobicContact SD-CG 4Å; M115-E1193 VanDerWaalsContact SD-OE2 3.39Å; S185-E1193 WeakPolarHBondContact CB-OE1 3.36Å; S185-E1193 WeakPolarHBondContact CB-OE2 3.16Å; S185-E1193 PolarHBondContact OG-OE1 2.93Å; N189-E1193 PolarHBondContact ND2-OE2 3.02Å; E1193-A1249 CarbonylContact C-O 3.55Å; E1193-A1249 WeakPolarHBondContact CA-O 3.36Å; E1193-Q1250 HydrophobicContact CB-CG 4.44Å
1194T87.8Confident85.9Confident12 Ų1239.6 Ų39.67%0.07422%0.218CC..EExtended strand (participates in β ladder)trans-127142.2167.9-172.60000110.8D1196 L1197 V1200 F1206 Q1248 A1249T1194-D1196 PolarHBondContact OG1-N 2.95Å; T1194-D1196 VanDerWaalsContact OG1-N 3.17Å; T1194-L1197 HydrophobicContact CG2-CB 4.2Å; T1194-L1197 HydrophobicContact CG2-CD1 4.02Å; T1194-V1200 HydrophobicContact CG2-CG2 4.28Å; T1194-F1206 HydrophobicContact CG2-CD2 3.42Å; T1194-F1206 VanDerWaalsContact CG2-CD2 3.42Å; T1194-F1206 HydrophobicContact CG2-CE2 3.57Å; T1194-F1206 HydrophobicContact CG2-CG 4.03Å; T1194-F1206 HydrophobicContact CG2-CZ 4.25Å; T1194-Q1248 VanDerWaalsContact O-CA 3.24Å; T1194-Q1248 WeakPolarHBondContact O-CA 3.45Å; T1194-A1249 HydrophobicContact CG2-CB 4.23Å; T1194-A1249 PolarHBondContact N-O 3.37Å; T1194-A1249 PolarHBondContact O-N 3.36Å; T1194-A1249 VanDerWaalsContact O-N 3.11Å
1195T86.6Confident85.6Confident64 Ų6440 Ų4039%0.39322%0.222SC..SBendtrans-89.5-9.9169.739.30000113.5M115 N1247M115-T1195 HydrophobicContact CE-CG2 4.09Å; T1195-N1247 CarbonylContact C-O 3.5Å
1196D87.2Confident85.4Confident69 Ų6939.7 Ų39.737%0.36922%0.22SC..  trans-132.542.4-160.8-60.4-70.8000112T1194 R1198 E1199 V1200 N1247T1194-D1196 PolarHBondContact OG1-N 2.95Å; T1194-D1196 VanDerWaalsContact OG1-N 3.17Å; D1196-R1198 PolarHBondContact O-N 2.95Å; D1196-R1198 VanDerWaalsContact O-N 3.09Å; D1196-E1199 HydrophobicContact CB-CB 4.32Å; D1196-E1199 HydrophobicContact CB-CG 4.32Å; D1196-E1199 WeakPolarHBondContact O-CA 3.41Å; D1196-E1199 WeakPolarHBondContact O-CB 3.15Å; D1196-E1199 PolarHBondContact O-N 2.88Å; D1196-V1200 WeakPolarHBondContact O-CG2 3.31Å; D1196-V1200 PolarHBondContact O-N 3.39Å; D1196-N1247 WeakPolarHBondContact CA-ND2 3.39Å; D1196-N1247 PolarHBondContact N-O 3.2Å
1197L84.5Confident85.1Confident13 Ų1339.6 Ų39.67%0.06822%0.22CC..THydrogen-bonded Turntrans-49-40.7-171.9-173.662.7000113.6T1194 E1199 G1202 I1203 F1206 R1242 N1247 A1249T1194-L1197 HydrophobicContact CG2-CB 4.2Å; T1194-L1197 HydrophobicContact CG2-CD1 4.02Å; L1197-E1199 VanDerWaalsContact C-N 3.31Å; L1197-E1199 PolarHBondContact O-N 3.01Å; L1197-G1202 WeakPolarHBondContact O-CA 3.32Å; L1197-G1202 PolarHBondContact O-N 3.26Å; L1197-I1203 HydrophobicContact CD1-CB 4.15Å; L1197-I1203 HydrophobicContact CD1-CD1 4.34Å; L1197-F1206 HydrophobicContact CD1-CB 4.01Å; L1197-F1206 HydrophobicContact CD1-CG 4.41Å; L1197-R1242 HydrophobicContact CD2-CG 4.29Å; L1197-N1247 WeakPolarHBondContact CB-O 3.36Å; L1197-N1247 PolarHBondContact N-O 3.1Å; L1197-N1247 PolarHBondContact N-OD1 3.47Å; L1197-A1249 HydrophobicContact CD1-CB 3.72Å; L1197-A1249 HydrophobicContact CD2-CB 4.07Å; L1197-A1249 HydrophobicContact CG-CB 4.42Å
1198R84.3Confident84.9Confident207 Ų20743.3 Ų43.378%0.78124%0.237SC*.THydrogen-bonded Turntrans-65.4-30.7176.8-70.1165.7-171.1-170.52.3113.3D1196 N1247D1196-R1198 PolarHBondContact O-N 2.95Å; D1196-R1198 VanDerWaalsContact O-N 3.09Å; R1198-N1247 WeakPolarHBondContact CB-OD1 3.22Å; R1198-N1247 WeakPolarHBondContact CD-OD1 3.42Å; R1198-N1247 WeakPolarHBondContact CG-OD1 3.32Å; R1198-N1247 PolarHBondContact N-OD1 3.25Å
1199E88.2Confident85Confident164 Ų16445.3 Ų45.377%0.76625%0.25SC*.THydrogen-bonded Turntrans-82-31.4-178.3-55.4-157.8162.600112.9D1196 L1197 G1201D1196-E1199 HydrophobicContact CB-CB 4.32Å; D1196-E1199 HydrophobicContact CB-CG 4.32Å; D1196-E1199 WeakPolarHBondContact O-CA 3.41Å; D1196-E1199 WeakPolarHBondContact O-CB 3.15Å; D1196-E1199 PolarHBondContact O-N 2.88Å; L1197-E1199 VanDerWaalsContact C-N 3.31Å; L1197-E1199 PolarHBondContact O-N 3.01Å; E1199-G1201 PolarHBondContact O-N 2.91Å
1200V84Confident85.2Confident53 Ų5344.6 Ų44.632%0.32125%0.247SC..THydrogen-bonded Turntrans-76.711171.9-880000113.9T1194 D1196 G1205 F1206T1194-V1200 HydrophobicContact CG2-CG2 4.28Å; D1196-V1200 WeakPolarHBondContact O-CG2 3.31Å; D1196-V1200 PolarHBondContact O-N 3.39Å; V1200-G1205 CarbonylContact O-C 3.46Å; V1200-G1205 VanDerWaalsContact O-CA 3.3Å; V1200-G1205 WeakPolarHBondContact O-CA 3.23Å; V1200-F1206 HydrophobicContact CG2-CB 4.14Å
1201G82.8Confident85.2Confident57 Ų5744.8 Ų44.859%0.58825%0.248SC*.THydrogen-bonded Turntrans84.228.5179.100000113.6E1199E1199-G1201 PolarHBondContact O-N 2.91Å
1202G80.7Confident85.2Confident25 Ų2547 Ų4726%0.25827%0.267SS..Hα-helixtrans73.8-173.5-172.700000112.3L1197 S1204 G1205 F1206L1197-G1202 WeakPolarHBondContact O-CA 3.32Å; L1197-G1202 PolarHBondContact O-N 3.26Å; G1202-S1204 VanDerWaalsContact C-N 3.31Å; G1202-S1204 PolarHBondContact O-N 2.96Å; G1202-G1205 PolarHBondContact O-N 3.38Å; G1202-F1206 PolarHBondContact O-N 3.3Å
1203I77.4Confident85.4Confident10 Ų1047 Ų475%0.05127%0.268CS..Hα-helixtrans-61.7-34.9-177.2-176.871000113.4E836 L1197 G1205 F1206 L1207 V1240 A1249E836-I1203 WeakPolarHBondContact OE1-CG2 3.09Å; E836-I1203 WeakPolarHBondContact OE2-CG2 3.43Å; L1197-I1203 HydrophobicContact CD1-CB 4.15Å; L1197-I1203 HydrophobicContact CD1-CD1 4.34Å; I1203-G1205 VanDerWaalsContact C-N 3.35Å; I1203-G1205 PolarHBondContact O-N 2.92Å; I1203-F1206 HydrophobicContact CD1-CD1 3.76Å; I1203-F1206 HydrophobicContact CD1-CE1 4.41Å; I1203-F1206 PolarHBondContact O-N 3.43Å; I1203-L1207 HydrophobicContact CD1-CD1 4.34Å; I1203-L1207 HydrophobicContact CD1-CG 4.28Å; I1203-L1207 HydrophobicContact CG1-CD1 3.96Å; I1203-L1207 HydrophobicContact CG1-CG 4.33Å; I1203-L1207 WeakPolarHBondContact O-CB 3.37Å; I1203-L1207 WeakPolarHBondContact O-CG 3.36Å; I1203-L1207 PolarHBondContact O-N 3.29Å; I1203-V1240 HydrophobicContact CD1-CG1 3.42Å; I1203-V1240 VanDerWaalsContact CD1-CG1 3.42Å; I1203-V1240 HydrophobicContact CD1-CG2 4.36Å; I1203-V1240 HydrophobicContact CG1-CG1 3.98Å; I1203-A1249 HydrophobicContact CD1-CB 3.98Å
1204S76.1Confident85.5Confident50 Ų5046.4 Ų46.435%0.3527%0.265SS..Hα-helixtrans-63-41175.7-175.80000111.7G1202 H1208G1202-S1204 VanDerWaalsContact C-N 3.31Å; G1202-S1204 PolarHBondContact O-N 2.96Å; S1204-H1208 VanDerWaalsContact O-CB 3.28Å; S1204-H1208 WeakPolarHBondContact O-CB 3.12Å; S1204-H1208 PolarHBondContact O-N 2.89Å
1205G83.3Confident85.6Confident20 Ų2048.5 Ų48.521%0.20627%0.274CS..Hα-helixtrans-72.3-38.7174.300000113.2V1200 G1202 I1203 T1209V1200-G1205 CarbonylContact O-C 3.46Å; V1200-G1205 VanDerWaalsContact O-CA 3.3Å; V1200-G1205 WeakPolarHBondContact O-CA 3.23Å; G1202-G1205 PolarHBondContact O-N 3.38Å; I1203-G1205 VanDerWaalsContact C-N 3.35Å; I1203-G1205 PolarHBondContact O-N 2.92Å; G1205-T1209 WeakPolarHBondContact O-CB 3.39Å; G1205-T1209 PolarHBondContact O-N 3.35Å; G1205-T1209 PolarHBondContact O-OG1 3.24Å
1206F86.5Confident85.8Confident3 Ų347.3 Ų47.31%0.01327%0.27CS..Hα-helixtrans-59.2-49.9171.9171.3-106.8000112R1192 T1194 L1197 V1200 G1202 I1203 T1209 S1210 A1249 C1251R1192-F1206 HydrophobicContact CB-CE2 4.41Å; R1192-F1206 HydrophobicContact CB-CZ 4.01Å; R1192-F1206 HydrophobicContact CG-CE2 3.63Å; R1192-F1206 HydrophobicContact CG-CZ 3.74Å; T1194-F1206 HydrophobicContact CG2-CD2 3.42Å; T1194-F1206 VanDerWaalsContact CG2-CD2 3.42Å; T1194-F1206 HydrophobicContact CG2-CE2 3.57Å; T1194-F1206 HydrophobicContact CG2-CG 4.03Å; T1194-F1206 HydrophobicContact CG2-CZ 4.25Å; L1197-F1206 HydrophobicContact CD1-CB 4.01Å; L1197-F1206 HydrophobicContact CD1-CG 4.41Å; V1200-F1206 HydrophobicContact CG2-CB 4.14Å; G1202-F1206 PolarHBondContact O-N 3.3Å; I1203-F1206 HydrophobicContact CD1-CD1 3.76Å; I1203-F1206 HydrophobicContact CD1-CE1 4.41Å; I1203-F1206 PolarHBondContact O-N 3.43Å; F1206-T1209 PolarHBondContact O-N 3.07Å; F1206-S1210 WeakPolarHBondContact O-CB 3.36Å; F1206-S1210 PolarHBondContact O-N 2.85Å; F1206-S1210 PolarHBondContact O-OG 3.19Å; F1206-A1249 HydrophobicContact CD1-CB 4.34Å; F1206-A1249 HydrophobicContact CE1-CB 4.19Å; F1206-C1251 HydrophobicContact CE1-CB 3.93Å; F1206-C1251 VanDerWaalsContact CE1-SG 3.51Å
1207L83.9Confident86.1Confident1 Ų144.3 Ų44.31%0.00525%0.254CS..Hα-helixtrans-65-43.6178.2-76.3169.4000112.2V834 I1203 T1209 S1210 L1211 V1238 V1240 C1251V834-L1207 HydrophobicContact CG1-CD1 4.1Å; I1203-L1207 HydrophobicContact CD1-CD1 4.34Å; I1203-L1207 HydrophobicContact CD1-CG 4.28Å; I1203-L1207 HydrophobicContact CG1-CD1 3.96Å; I1203-L1207 HydrophobicContact CG1-CG 4.33Å; I1203-L1207 WeakPolarHBondContact O-CB 3.37Å; I1203-L1207 WeakPolarHBondContact O-CG 3.36Å; I1203-L1207 PolarHBondContact O-N 3.29Å; L1207-T1209 VanDerWaalsContact C-N 3.28Å; L1207-T1209 PolarHBondContact O-N 3.02Å; L1207-S1210 PolarHBondContact O-N 3.04Å; L1207-L1211 WeakPolarHBondContact O-CB 3.46Å; L1207-L1211 VanDerWaalsContact O-CG 3.28Å; L1207-L1211 WeakPolarHBondContact O-CG 3.47Å; L1207-L1211 PolarHBondContact O-N 3.28Å; L1207-V1238 HydrophobicContact CD2-CG1 4.14Å; L1207-V1240 HydrophobicContact CD1-CG2 3.99Å; L1207-V1240 HydrophobicContact CD2-CG2 3.94Å; L1207-V1240 HydrophobicContact CG-CG2 4.4Å; L1207-C1251 HydrophobicContact CD2-CB 4.05Å
1208H83.4Confident86.5Confident91 Ų9143.7 Ų43.742%0.42125%0.251SS..Hα-helixtrans-61.3-38.4175.7-172.7-68.3000111.7S1204 A1212S1204-H1208 VanDerWaalsContact O-CB 3.28Å; S1204-H1208 WeakPolarHBondContact O-CB 3.12Å; S1204-H1208 PolarHBondContact O-N 2.89Å; H1208-A1212 WeakPolarHBondContact O-CB 3.22Å; H1208-A1212 PolarHBondContact O-N 2.75Å; H1208-A1212 VanDerWaalsContact O-N 3.1Å
1209T88.9Confident86.9Confident56 Ų5634.4 Ų34.434%0.34422%0.22SC..Hα-helixtrans-67.3-46.6174.8-53.90000110.8G1205 F1206 L1207 L1211 A1212 E1213G1205-T1209 WeakPolarHBondContact O-CB 3.39Å; G1205-T1209 PolarHBondContact O-N 3.35Å; G1205-T1209 PolarHBondContact O-OG1 3.24Å; F1206-T1209 PolarHBondContact O-N 3.07Å; L1207-T1209 VanDerWaalsContact C-N 3.28Å; L1207-T1209 PolarHBondContact O-N 3.02Å; T1209-L1211 PolarHBondContact O-N 2.8Å; T1209-A1212 PolarHBondContact O-N 3.33Å; T1209-E1213 HydrophobicContact CG2-CG 4.5Å; T1209-E1213 WeakPolarHBondContact O-CG 3.34Å; T1209-E1213 PolarHBondContact O-N 2.75Å
1210S90.2Very high87.1Confident0 Ų027.1 Ų27.10%019%0.188CC..Hα-helixtrans-58.8-45178.2-530000111.9F1206 L1207 E1213 V1214F1206-S1210 WeakPolarHBondContact O-CB 3.36Å; F1206-S1210 PolarHBondContact O-N 2.85Å; F1206-S1210 PolarHBondContact O-OG 3.19Å; L1207-S1210 PolarHBondContact O-N 3.04Å; S1210-E1213 PolarHBondContact O-N 2.97Å; S1210-V1214 WeakPolarHBondContact O-CB 3.49Å; S1210-V1214 VanDerWaalsContact O-CG2 3.28Å; S1210-V1214 WeakPolarHBondContact O-CG2 3.29Å; S1210-V1214 PolarHBondContact O-N 3.45Å
1211L87.7Confident87.5Confident12 Ų1225.1 Ų25.16%0.06318%0.175CC..Hα-helixtrans-64.5-41.2176.7-71.6167.5000111.8I832 V834 L1207 T1209 V1214 Q1215 L1235 L1253I832-L1211 HydrophobicContact CD1-CD1 4.4Å; I832-L1211 HydrophobicContact CD1-CD2 4.13Å; I832-L1211 HydrophobicContact CG2-CD1 3.95Å; V834-L1211 HydrophobicContact CG2-CD1 4.26Å; L1207-L1211 WeakPolarHBondContact O-CB 3.46Å; L1207-L1211 VanDerWaalsContact O-CG 3.28Å; L1207-L1211 WeakPolarHBondContact O-CG 3.47Å; L1207-L1211 PolarHBondContact O-N 3.28Å; T1209-L1211 PolarHBondContact O-N 2.8Å; L1211-V1214 PolarHBondContact O-N 3.1Å; L1211-Q1215 WeakPolarHBondContact O-CB 3.34Å; L1211-Q1215 WeakPolarHBondContact O-CG 3.4Å; L1211-Q1215 PolarHBondContact O-N 3.42Å; L1211-L1235 HydrophobicContact CD2-CD1 3.93Å; L1211-L1235 HydrophobicContact CD2-CD2 3.68Å; L1211-L1235 HydrophobicContact CD2-CG 4.49Å; L1211-L1253 HydrophobicContact CD2-CD1 4.19Å; L1211-L1253 HydrophobicContact CD2-CD2 4.4Å
1212A88.8Confident87.9Confident48 Ų4822.4 Ų22.440%0.39715%0.147SC..Hα-helixtrans-65.4-40.217600000112.4H1208 T1209 A1216H1208-A1212 WeakPolarHBondContact O-CB 3.22Å; H1208-A1212 PolarHBondContact O-N 2.75Å; H1208-A1212 VanDerWaalsContact O-N 3.1Å; T1209-A1212 PolarHBondContact O-N 3.33Å; A1212-A1216 WeakPolarHBondContact O-CB 3.49Å; A1212-A1216 PolarHBondContact O-N 2.76Å
1213E92.1Very high88.5Confident20 Ų2024 Ų249%0.09315%0.152CC..Hα-helixtrans-61-47.7173-69.8170.2-172.700111.3Y112 G117 I118 R1192 T1209 S1210 A1216 V1217Y112-E1213 HydrophobicContact CE2-CB 4.23Å; Y112-E1213 WeakPolarHBondContact CE2-OE2 3.19Å; G117-E1213 VanDerWaalsContact CA-CD 3.46Å; G117-E1213 WeakPolarHBondContact CA-OE1 3.48Å; G117-E1213 VanDerWaalsContact CA-OE2 3.24Å; G117-E1213 WeakPolarHBondContact CA-OE2 3.28Å; I118-E1213 HydrophobicContact CD1-CB 4.16Å; I118-E1213 HydrophobicContact CD1-CG 4.27Å; I118-E1213 HydrophobicContact CG1-CB 4.28Å; I118-E1213 HydrophobicContact CG1-CG 4.24Å; R1192-E1213 WeakPolarHBondContact CD-OE2 3.34Å; R1192-E1213 IonicContact CZ-OE1 3.72Å; R1192-E1213 IonicContact CZ-OE2 2.71Å; R1192-E1213 IonicContact NE-OE1 3.27Å; R1192-E1213 PolarHBondContact NE-OE1 3.46Å; R1192-E1213 IonicContact NE-OE2 2.65Å; R1192-E1213 PolarHBondContact NE-OE2 3.45Å; R1192-E1213 IonicContact NH2-OE1 3.87Å; R1192-E1213 PolarHBondContact NH2-OE1 3.01Å; R1192-E1213 IonicContact NH2-OE2 3.41Å; T1209-E1213 HydrophobicContact CG2-CG 4.5Å; T1209-E1213 WeakPolarHBondContact O-CG 3.34Å; T1209-E1213 PolarHBondContact O-N 2.75Å; S1210-E1213 PolarHBondContact O-N 2.97Å; E1213-A1216 PolarHBondContact O-N 3.32Å; E1213-V1217 WeakPolarHBondContact O-CG2 3.36Å; E1213-V1217 PolarHBondContact O-N 2.95Å
1214V91.1Very high89.1Confident0 Ų024 Ų240%015%0.153CC..Hα-helixtrans-61.5-45.9177.5166.40000111.8F1190 S1210 L1211 A1216 V1217 V1218 L1253 V1255F1190-V1214 HydrophobicContact CB-CG2 3.81Å; F1190-V1214 HydrophobicContact CD1-CG2 3.89Å; F1190-V1214 HydrophobicContact CD2-CB 4.3Å; F1190-V1214 HydrophobicContact CD2-CG1 3.77Å; F1190-V1214 HydrophobicContact CD2-CG2 3.62Å; F1190-V1214 HydrophobicContact CE1-CG2 4.32Å; F1190-V1214 HydrophobicContact CE2-CB 4.32Å; F1190-V1214 HydrophobicContact CE2-CG1 3.62Å; F1190-V1214 HydrophobicContact CE2-CG2 4.07Å; F1190-V1214 HydrophobicContact CG-CG2 3.51Å; F1190-V1214 HydrophobicContact CZ-CG1 4.25Å; F1190-V1214 HydrophobicContact CZ-CG2 4.4Å; S1210-V1214 WeakPolarHBondContact O-CB 3.49Å; S1210-V1214 VanDerWaalsContact O-CG2 3.28Å; S1210-V1214 WeakPolarHBondContact O-CG2 3.29Å; S1210-V1214 PolarHBondContact O-N 3.45Å; L1211-V1214 PolarHBondContact O-N 3.1Å; V1214-A1216 VanDerWaalsContact C-N 3.3Å; V1214-A1216 PolarHBondContact O-N 3.04Å; V1214-V1217 PolarHBondContact O-N 2.87Å; V1214-V1218 HydrophobicContact CG1-CG2 4.27Å; V1214-V1218 WeakPolarHBondContact O-CB 3.32Å; V1214-V1218 VanDerWaalsContact O-CG2 3.27Å; V1214-V1218 WeakPolarHBondContact O-CG2 3.31Å; V1214-V1218 PolarHBondContact O-N 3.28Å; V1214-L1253 HydrophobicContact CG2-CD1 3.99Å; V1214-V1255 HydrophobicContact CG1-CB 4.29Å; V1214-V1255 HydrophobicContact CG1-CG2 3.69Å
1215Q90.2Very high89.7Confident55 Ų5522.2 Ų22.226%0.25714%0.139SC..Hα-helixtrans-62.3-36.5177.5-74178.2-15.200112.1L1168 L1211 G1219 Y1233L1168-Q1215 HydrophobicContact CD1-CB 3.67Å; L1168-Q1215 HydrophobicContact CD1-CG 3.54Å; L1211-Q1215 WeakPolarHBondContact O-CB 3.34Å; L1211-Q1215 WeakPolarHBondContact O-CG 3.4Å; L1211-Q1215 PolarHBondContact O-N 3.42Å; Q1215-G1219 PolarHBondContact O-N 3.21Å; Q1215-Y1233 WeakPolarHBondContact CG-OH 3.39Å; Q1215-Y1233 PolarHBondContact NE2-OH 3.36Å
1216A91.2Very high90Very high39 Ų3923.1 Ų23.132%0.32215%0.149SC..Hα-helixtrans-67.1-43.4174.200000112.5I118 A1212 E1213 V1214 A1220I118-A1216 HydrophobicContact CD1-CB 3.96Å; A1212-A1216 WeakPolarHBondContact O-CB 3.49Å; A1212-A1216 PolarHBondContact O-N 2.76Å; E1213-A1216 PolarHBondContact O-N 3.32Å; V1214-A1216 VanDerWaalsContact C-N 3.3Å; V1214-A1216 PolarHBondContact O-N 3.04Å; A1216-A1220 PolarHBondContact O-N 2.81Å
1217V92.9Very high90.2Very high6 Ų623.3 Ų23.34%0.03615%0.152CC..Hα-helixtrans-61-52.9174.9173.70000110.5P110 Y112 F1190 E1213 V1214 G1219 A1220 H1221P110-V1217 HydrophobicContact CB-CG2 4.02Å; P110-V1217 HydrophobicContact CG-CG2 4.3Å; Y112-V1217 HydrophobicContact CD2-CG2 4.47Å; F1190-V1217 HydrophobicContact CE1-CB 4.07Å; F1190-V1217 HydrophobicContact CE1-CG1 3.84Å; F1190-V1217 HydrophobicContact CE1-CG2 4.25Å; F1190-V1217 HydrophobicContact CZ-CB 4.01Å; F1190-V1217 HydrophobicContact CZ-CG1 3.72Å; E1213-V1217 WeakPolarHBondContact O-CG2 3.36Å; E1213-V1217 PolarHBondContact O-N 2.95Å; V1214-V1217 PolarHBondContact O-N 2.87Å; V1217-G1219 VanDerWaalsContact C-N 3.31Å; V1217-G1219 PolarHBondContact O-N 3Å; V1217-A1220 WeakPolarHBondContact O-CB 3.32Å; V1217-A1220 PolarHBondContact O-N 3.07Å; V1217-H1221 PolarHBondContact O-CD2 3.07Å; V1217-H1221 VanDerWaalsContact O-CD2 3.28Å; V1217-H1221 PolarHBondContact O-N 2.86Å
1218V92.6Very high90.6Very high0 Ų025.9 Ų25.90%017%0.165CC..Hα-helixtrans-62.2-37.2-178.4170.10000112L1168 L1186 F1190 V1214 H1221 T1222 L1230 V1255L1168-V1218 HydrophobicContact CD2-CG1 4.38Å; L1186-V1218 HydrophobicContact CD1-CG1 4.04Å; L1186-V1218 HydrophobicContact CD2-CG1 3.81Å; L1186-V1218 HydrophobicContact CD2-CG2 4.18Å; F1190-V1218 HydrophobicContact CE2-CG2 4.13Å; F1190-V1218 HydrophobicContact CZ-CG2 4.22Å; V1214-V1218 HydrophobicContact CG1-CG2 4.27Å; V1214-V1218 WeakPolarHBondContact O-CB 3.32Å; V1214-V1218 VanDerWaalsContact O-CG2 3.27Å; V1214-V1218 WeakPolarHBondContact O-CG2 3.31Å; V1214-V1218 PolarHBondContact O-N 3.28Å; V1218-H1221 PolarHBondContact O-N 2.81Å; V1218-T1222 WeakPolarHBondContact O-CB 3.45Å; V1218-T1222 PolarHBondContact O-N 2.84Å; V1218-T1222 PolarHBondContact O-OG1 2.76Å; V1218-L1230 HydrophobicContact CG1-CD2 3.53Å; V1218-V1255 HydrophobicContact CG2-CG1 4.07Å
1219G93Very high91Very high12 Ų1221.5 Ų21.512%0.12415%0.145CC..Hα-helixtrans-64.1-37.5172.300000113.7Q1215 V1217 T1223Q1215-G1219 PolarHBondContact O-N 3.21Å; V1217-G1219 VanDerWaalsContact C-N 3.31Å; V1217-G1219 PolarHBondContact O-N 3Å; G1219-T1223 WeakPolarHBondContact O-CG2 3.24Å; G1219-T1223 PolarHBondContact O-N 3.13Å; G1219-T1223 PolarHBondContact O-OG1 2.9Å
1220A92.7Very high91.2Very high12 Ų1218.9 Ų18.910%0.09913%0.129CC..Hα-helixtrans-68.9-43.8174.900000112.2F109 P110 A1216 V1217 T1222 T1223 S1224F109-A1220 HydrophobicContact CD1-CB 4.49Å; P110-A1220 VanDerWaalsContact CD-CB 3.49Å; P110-A1220 HydrophobicContact CG-CB 4.27Å; A1216-A1220 PolarHBondContact O-N 2.81Å; V1217-A1220 WeakPolarHBondContact O-CB 3.32Å; V1217-A1220 PolarHBondContact O-N 3.07Å; A1220-T1222 PolarHBondContact O-N 3.29Å; A1220-T1223 PolarHBondContact O-N 2.71Å; A1220-T1223 PolarHBondContact O-OG1 3.43Å; A1220-S1224 VanDerWaalsContact O-CB 3.29Å; A1220-S1224 WeakPolarHBondContact O-CB 3.37Å; A1220-S1224 PolarHBondContact O-N 3.11Å; A1220-S1224 PolarHBondContact O-OG 2.95Å
1221H91.9Very high91.4Very high10 Ų1018.9 Ų18.95%0.04613%0.129CC..Hα-helixtrans-57.9-48173-80.2-82.9000111.3Y90 F91 L1186 F1188 V1217 V1218 T1223 S1224 L1225Y90-H1221 PolarHBondContact O-CE1 3.45Å; Y90-H1221 PolarHBondContact O-NE2 3.25Å; F91-H1221 AromaticContact CD1-CE1 3.47Å; F91-H1221 VanDerWaalsContact CD1-CE1 3.47Å; F91-H1221 WeakPolarHBondContact CD1-CE1 3.24Å; F91-H1221 AromaticContact CD1-ND1 3.8Å; F91-H1221 AromaticContact CE1-CE1 3.41Å; F91-H1221 VanDerWaalsContact CE1-CE1 3.41Å; F91-H1221 WeakPolarHBondContact CE1-CE1 3.32Å; F91-H1221 AromaticContact CE1-ND1 3.82Å; L1186-H1221 HydrophobicContact CD1-CB 4.37Å; F1188-H1221 AromaticContact CE1-NE2 4Å; F1188-H1221 AromaticContact CZ-CE1 3.96Å; V1217-H1221 PolarHBondContact O-CD2 3.07Å; V1217-H1221 VanDerWaalsContact O-CD2 3.28Å; V1217-H1221 PolarHBondContact O-N 2.86Å; V1218-H1221 PolarHBondContact O-N 2.81Å; H1221-T1223 PolarHBondContact O-N 2.72Å; H1221-S1224 PolarHBondContact O-N 3.42Å; H1221-S1224 PolarHBondContact O-OG 3.3Å; H1221-L1225 PolarHBondContact O-N 2.82Å
1222T92.2Very high91.7Very high0 Ų018.9 Ų18.90%013%0.13CC..Hα-helixtrans-61.9-46-179.7-50.80000112.4C1166 V1218 A1220 L1225 G1227 A1229 M1259C1166-T1222 WeakPolarHBondContact SG-CG2 3.43Å; V1218-T1222 WeakPolarHBondContact O-CB 3.45Å; V1218-T1222 PolarHBondContact O-N 2.84Å; V1218-T1222 PolarHBondContact O-OG1 2.76Å; A1220-T1222 PolarHBondContact O-N 3.29Å; T1222-L1225 PolarHBondContact O-N 2.82Å; T1222-G1227 VanDerWaalsContact O-CA 3.29Å; T1222-G1227 WeakPolarHBondContact O-CA 3.3Å; T1222-G1227 PolarHBondContact O-N 2.85Å; T1222-A1229 WeakPolarHBondContact CG2-O 3.28Å; T1222-M1259 HydrophobicContact CG2-CB 4.17Å; T1222-M1259 HydrophobicContact CG2-CG 4.04Å
1223T92.3Very high91.8Very high58 Ų5817.1 Ų17.136%0.35611%0.113SC..Hα-helixtrans-68.7-33.5179.548.20000113.1C1166 G1219 A1220 H1221 L1225 G1226 G1227C1166-T1223 HydrophobicContact CB-CG2 4.07Å; G1219-T1223 WeakPolarHBondContact O-CG2 3.24Å; G1219-T1223 PolarHBondContact O-N 3.13Å; G1219-T1223 PolarHBondContact O-OG1 2.9Å; A1220-T1223 PolarHBondContact O-N 2.71Å; A1220-T1223 PolarHBondContact O-OG1 3.43Å; H1221-T1223 PolarHBondContact O-N 2.72Å; T1223-L1225 VanDerWaalsContact C-N 3.27Å; T1223-L1225 PolarHBondContact O-N 3.4Å; T1223-G1226 WeakPolarHBondContact O-CA 3.4Å; T1223-G1226 PolarHBondContact O-N 2.95Å; T1223-G1227 WeakPolarHBondContact CA-O 3.36Å
1224S90.1Very high91.6Very high11 Ų1118.1 Ų18.18%0.07712%0.118CC..Hα-helixtrans-69-2017973.70000115.5L105 N106 F109 A1220 H1221L105-S1224 WeakPolarHBondContact CA-O 3.38Å; L105-S1224 VanDerWaalsContact CD1-OG 3.29Å; L105-S1224 WeakPolarHBondContact CD1-OG 3.47Å; L105-S1224 WeakPolarHBondContact CG-OG 3.44Å; N106-S1224 PolarHBondContact N-O 3.5Å; N106-S1224 WeakPolarHBondContact O-CA 3.32Å; F109-S1224 VanDerWaalsContact CE1-CB 3.45Å; F109-S1224 VanDerWaalsContact CE1-OG 3.24Å; F109-S1224 WeakPolarHBondContact CE1-OG 3.45Å; F109-S1224 WeakPolarHBondContact CZ-OG 3.48Å; A1220-S1224 VanDerWaalsContact O-CB 3.29Å; A1220-S1224 WeakPolarHBondContact O-CB 3.37Å; A1220-S1224 PolarHBondContact O-N 3.11Å; A1220-S1224 PolarHBondContact O-OG 2.95Å; H1221-S1224 PolarHBondContact O-N 3.42Å; H1221-S1224 PolarHBondContact O-OG 3.3Å
1225L89.2Confident91.2Very high12 Ų1218.4 Ų18.46%0.06312%0.119CC..THydrogen-bonded Turntrans-82.80.8168.7-68.4171.6000112.5P95 L96 L105 L1183 H1221 T1222 T1223 M1259P95-L1225 HydrophobicContact CB-CD1 3.91Å; P95-L1225 HydrophobicContact CB-CD2 4.46Å; P95-L1225 HydrophobicContact CG-CD1 4.48Å; L96-L1225 HydrophobicContact CD2-CD2 3.45Å; L96-L1225 VanDerWaalsContact CD2-CD2 3.45Å; L96-L1225 HydrophobicContact CG-CD2 4.2Å; L105-L1225 HydrophobicContact CB-CD2 4.11Å; L105-L1225 HydrophobicContact CD1-CD2 3.84Å; L105-L1225 HydrophobicContact CD1-CG 4.08Å; L105-L1225 HydrophobicContact CG-CD2 4.47Å; L1183-L1225 HydrophobicContact CD1-CB 4.12Å; H1221-L1225 PolarHBondContact O-N 2.82Å; T1222-L1225 PolarHBondContact O-N 2.82Å; T1223-L1225 VanDerWaalsContact C-N 3.27Å; T1223-L1225 PolarHBondContact O-N 3.4Å; L1225-M1259 HydrophobicContact CD1-CE 3.48Å; L1225-M1259 VanDerWaalsContact CD1-CE 3.48Å; L1225-M1259 HydrophobicContact CD1-SD 3.63Å
1226G89.1Confident90.6Very high40 Ų4016.7 Ų16.741%0.41211%0.113SC..THydrogen-bonded Turntrans79.416.9-17100000113.8T1223 R1261T1223-G1226 WeakPolarHBondContact O-CA 3.4Å; T1223-G1226 PolarHBondContact O-N 2.95Å; G1226-R1261 VanDerWaalsContact O-CD 3.23Å; G1226-R1261 WeakPolarHBondContact O-CD 3.18Å
1227G90.4Very high89.6Confident7 Ų715.8 Ų15.87%0.07210%0.102CC..  trans-82.8167.4172.800000112.8L1183 T1222 T1223 A1260L1183-G1227 VanDerWaalsContact CD1-N 3.31Å; T1222-G1227 VanDerWaalsContact O-CA 3.29Å; T1222-G1227 WeakPolarHBondContact O-CA 3.3Å; T1222-G1227 PolarHBondContact O-N 2.85Å; T1223-G1227 WeakPolarHBondContact CA-O 3.36Å; G1227-A1260 VanDerWaalsContact CA-O 3.31Å; G1227-A1260 WeakPolarHBondContact CA-O 3.21Å
1228N92Very high88.6Confident54 Ų5416.5 Ų16.529%0.28911%0.106SC..  trans-142.90.5173.862.5-13.7000113C1166 I1167 A1260 R1261 I1262C1166-N1228 WeakPolarHBondContact CA-O 3.5Å; I1167-N1228 PolarHBondContact N-O 3.15Å; N1228-A1260 PolarHBondContact N-O 3.23Å; N1228-R1261 WeakPolarHBondContact OD1-CA 3.49Å; N1228-I1262 PolarHBondContact ND2-O 3.29Å; N1228-I1262 VanDerWaalsContact OD1-CG1 3.31Å; N1228-I1262 WeakPolarHBondContact OD1-CG1 3Å; N1228-I1262 PolarHBondContact OD1-N 3.19Å; N1228-I1262 PolarHBondContact OD1-O 2.71Å
1229A93Very high87.7Confident0 Ų018.1 Ų18.10%012%0.117CC..EExtended strand (participates in β ladder)trans-140.4148.7167.800000112.1I1167 T1222 L1231 A1260 I1262I1167-A1229 HydrophobicContact CB-CB 4.33Å; I1167-A1229 CarbonylContact O-C 3.59Å; I1167-A1229 WeakPolarHBondContact O-CA 3.44Å; T1222-A1229 WeakPolarHBondContact CG2-O 3.28Å; A1229-L1231 HydrophobicContact CB-CD2 4.14Å; A1229-A1260 PolarHBondContact N-O 3.17Å; A1229-A1260 VanDerWaalsContact N-O 3.11Å; A1229-A1260 PolarHBondContact O-N 3.08Å; A1229-A1260 VanDerWaalsContact O-O 3.12Å; A1229-I1262 HydrophobicContact CB-CD1 3.66Å; A1229-I1262 HydrophobicContact CB-CG1 3.87Å; A1229-I1262 HydrophobicContact CB-CG2 4.28Å
1230L93.5Very high86.7Confident0 Ų018.4 Ų18.40%012%0.116CC..EExtended strand (participates in β ladder)trans-111104.5162.1-176.877.5000107.2I1167 L1168 T1169 L1186 V1218 Y1233 M1259I1167-L1230 PolarHBondContact O-N 3.08Å; L1168-L1230 HydrophobicContact CD2-CB 3.73Å; L1168-L1230 HydrophobicContact CD2-CD2 4.08Å; T1169-L1230 PolarHBondContact N-O 3.22Å; L1186-L1230 HydrophobicContact CB-CD1 4.08Å; L1186-L1230 HydrophobicContact CD2-CD2 4.35Å; V1218-L1230 HydrophobicContact CG1-CD2 3.53Å; L1230-Y1233 HydrophobicContact CD2-CD2 3.62Å; L1230-Y1233 HydrophobicContact CD2-CG 4.27Å; L1230-M1259 HydrophobicContact CD1-CB 4.41Å; L1230-M1259 HydrophobicContact CD1-CG 3.55Å
1231L93.9Very high85.8Confident1 Ų120.5 Ų20.51%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-80.5160.6178.2-53.5175.7000109.8T1169 I1174 V1179 Y1182 A1229 Y1233 G1257 D1258 A1260T1169-L1231 HydrophobicContact CG2-CD2 3.61Å; T1169-L1231 CarbonylContact O-C 3.58Å; I1174-L1231 HydrophobicContact CD1-CD2 4.45Å; I1174-L1231 HydrophobicContact CG1-CD2 4.12Å; V1179-L1231 HydrophobicContact CG2-CD1 3.69Å; Y1182-L1231 HydrophobicContact CE1-CD1 4.05Å; A1229-L1231 HydrophobicContact CB-CD2 4.14Å; L1231-Y1233 PolarHBondContact O-N 3.16Å; L1231-G1257 CarbonylContact O-C 3.58Å; L1231-G1257 WeakPolarHBondContact O-CA 3.38Å; L1231-D1258 HydrophobicContact CB-CB 4.38Å; L1231-D1258 PolarHBondContact N-O 3Å; L1231-D1258 PolarHBondContact O-N 3.24Å; L1231-A1260 HydrophobicContact CD1-CB 3.73Å; L1231-A1260 HydrophobicContact CG-CB 4.03Å
1232S92.9Very high84.8Confident11 Ų1121.4 Ų21.48%0.07713%0.128CC..EExtended strand (participates in β ladder)trans56.222.8178-36.70000114.1C149 T1169 L1171 H1234 D1258C149-S1232 WeakPolarHBondContact CA-OG 3.36Å; C149-S1232 VanDerWaalsContact CB-OG 3.28Å; C149-S1232 WeakPolarHBondContact CB-OG 3.43Å; C149-S1232 PolarHBondContact N-OG 3.17Å; C149-S1232 VanDerWaalsContact N-OG 3.09Å; T1169-S1232 PolarHBondContact O-N 3.43Å; L1171-S1232 PolarHBondContact O-N 3.38Å; S1232-H1234 PolarHBondContact O-N 3.3Å; S1232-H1234 VanDerWaalsContact O-N 3.15Å; S1232-D1258 PolarHBondContact OG-OD2 3.12Å
1233Y91.4Very high83.5Confident11 Ų1124.1 Ų24.14%0.04315%0.146CC..EExtended strand (participates in β ladder)trans-58.9114.7-176.3166.7-106.2000110.9I832 L1168 T1169 P1170 Q1215 L1230 L1231 V1255 C1256I832-Y1233 HydrophobicContact CD1-CE1 4.15Å; L1168-Y1233 HydrophobicContact CB-CD1 4.28Å; L1168-Y1233 HydrophobicContact CB-CG 4.28Å; L1168-Y1233 HydrophobicContact CD1-CE2 4.44Å; T1169-Y1233 WeakPolarHBondContact O-CB 3.34Å; T1169-Y1233 PolarHBondContact O-N 3.31Å; P1170-Y1233 WeakPolarHBondContact CA-O 3.38Å; Q1215-Y1233 WeakPolarHBondContact CG-OH 3.39Å; Q1215-Y1233 PolarHBondContact NE2-OH 3.36Å; L1230-Y1233 HydrophobicContact CD2-CD2 3.62Å; L1230-Y1233 HydrophobicContact CD2-CG 4.27Å; L1231-Y1233 PolarHBondContact O-N 3.16Å; Y1233-V1255 HydrophobicContact CD2-CG1 3.91Å; Y1233-V1255 HydrophobicContact CE2-CG1 3.53Å; Y1233-V1255 HydrophobicContact CE2-CG2 4.18Å; Y1233-C1256 WeakPolarHBondContact CA-O 3.42Å
1234H87.2Confident81.8Confident42 Ų4225.9 Ų25.919%0.19416%0.156CC..EExtended strand (participates in β ladder)trans-131.8136.3-175.9-172.1-95.8000110.8S1232 S1236 C1256S1232-H1234 PolarHBondContact O-N 3.3Å; S1232-H1234 VanDerWaalsContact O-N 3.15Å; H1234-S1236 WeakPolarHBondContact ND1-CA 3.41Å; H1234-S1236 PolarHBondContact ND1-N 3.28Å; H1234-S1236 PolarHBondContact ND1-OG 2.87Å; H1234-S1236 PolarHBondContact O-N 3.03Å; H1234-C1256 PolarHBondContact N-O 3.45Å; H1234-C1256 PolarHBondContact O-N 3.04Å
1235L84.6Confident80.7Confident6 Ų630.5 Ų30.53%0.03119%0.189CC..EExtended strand (participates in β ladder)trans-92.479.5174.7-174.765000107.9I832 R1029 L1211 E1237 V1238 L1253 N1254 V1255I832-L1235 HydrophobicContact CD1-CD2 4.36Å; R1029-L1235 PolarHBondContact NH1-O 2.99Å; L1211-L1235 HydrophobicContact CD2-CD1 3.93Å; L1211-L1235 HydrophobicContact CD2-CD2 3.68Å; L1211-L1235 HydrophobicContact CD2-CG 4.49Å; L1235-E1237 PolarHBondContact O-N 3.06Å; L1235-V1238 HydrophobicContact CD1-CG2 4.16Å; L1235-V1238 HydrophobicContact CD2-CG2 3.37Å; L1235-V1238 HydrophobicContact CG-CG2 3.6Å; L1235-L1253 HydrophobicContact CD1-CB 4.46Å; L1235-L1253 HydrophobicContact CD1-CD2 4.44Å; L1235-N1254 CarbonylContact C-O 3.5Å; L1235-N1254 WeakPolarHBondContact CA-O 3.17Å; L1235-V1255 HydrophobicContact CD1-CG2 3.64Å
1236S75.8Confident79.9Confident18 Ų1837 Ų3713%0.12621%0.212CC..EExtended strand (participates in β ladder)trans-63.9-19.7-169.6-64.50000114R1029 H1234 N1254 C1256R1029-S1236 VanDerWaalsContact CZ-O 3.28Å; R1029-S1236 PolarHBondContact NH1-O 3.36Å; R1029-S1236 PolarHBondContact NH2-O 3.35Å; H1234-S1236 WeakPolarHBondContact ND1-CA 3.41Å; H1234-S1236 PolarHBondContact ND1-N 3.28Å; H1234-S1236 PolarHBondContact ND1-OG 2.87Å; H1234-S1236 PolarHBondContact O-N 3.03Å; S1236-N1254 PolarHBondContact N-O 3.08Å; S1236-C1256 PolarHBondContact OG-SG 3.46Å
1237E70.2Confident79.7Confident20 Ų2037.3 Ų37.39%0.09321%0.205CC..EExtended strand (participates in β ladder)trans-153.6146.6173.1-155.1-174.1177.600112.3F225 L1235 V1239 N1254F225-E1237 VanDerWaalsContact CD1-CD 3.49Å; F225-E1237 WeakPolarHBondContact CD1-OE1 3.42Å; F225-E1237 WeakPolarHBondContact CD1-OE2 3.24Å; F225-E1237 WeakPolarHBondContact CG-OE2 3.43Å; L1235-E1237 PolarHBondContact O-N 3.06Å; E1237-V1239 HydrophobicContact CG-CG2 4.02Å; E1237-V1239 WeakPolarHBondContact OE1-CG2 3.44Å; E1237-N1254 HydrophobicContact CB-CB 3.75Å; E1237-N1254 PolarHBondContact O-N 2.92Å
1238V72.7Confident79.4Confident21 Ų2139 Ų3913%0.12721%0.211CC..EExtended strand (participates in β ladder)trans-141.799.8167.3-1770000107.8I1041 L1207 L1235 V1240 L1252 L1253I1041-V1238 HydrophobicContact CD1-CB 3.87Å; I1041-V1238 HydrophobicContact CD1-CG1 3.89Å; I1041-V1238 HydrophobicContact CD1-CG2 3.76Å; L1207-V1238 HydrophobicContact CD2-CG1 4.14Å; L1235-V1238 HydrophobicContact CD1-CG2 4.16Å; L1235-V1238 HydrophobicContact CD2-CG2 3.37Å; L1235-V1238 HydrophobicContact CG-CG2 3.6Å; V1238-V1240 HydrophobicContact CG1-CG2 4.29Å; V1238-L1252 WeakPolarHBondContact CA-O 3.23Å; V1238-L1253 HydrophobicContact CB-CD2 4.23Å; V1238-L1253 HydrophobicContact CG1-CD2 3.86Å; V1238-L1253 HydrophobicContact CG2-CD2 3.89Å
1239V73.3Confident79Confident35 Ų3536.5 Ų36.521%0.21220%0.198CC..EExtended strand (participates in β ladder)trans-100.7137.8169.2-1750000108.3L227 E1237 L1241 C1251 L1252L227-V1239 HydrophobicContact CD1-CB 4.37Å; L227-V1239 HydrophobicContact CD1-CG1 4.15Å; L227-V1239 HydrophobicContact CD1-CG2 4.05Å; E1237-V1239 HydrophobicContact CG-CG2 4.02Å; E1237-V1239 WeakPolarHBondContact OE1-CG2 3.44Å; V1239-L1241 HydrophobicContact CG1-CD2 4.28Å; V1239-L1241 HydrophobicContact CG1-CG 4.16Å; V1239-C1251 CarbonylContact O-C 3.53Å; V1239-C1251 WeakPolarHBondContact O-CA 3.49Å; V1239-C1251 WeakPolarHBondContact O-CB 3.41Å; V1239-L1252 HydrophobicContact CB-CB 4.3Å; V1239-L1252 PolarHBondContact N-O 2.88Å; V1239-L1252 PolarHBondContact O-N 2.94Å
1240V73.2Confident78.7Confident17 Ų1737.5 Ų37.510%0.10320%0.202CC..EExtended strand (participates in β ladder)trans-126.1120.8177.5171.20000107.8I1203 L1207 V1238 C1251I1203-V1240 HydrophobicContact CD1-CG1 3.42Å; I1203-V1240 VanDerWaalsContact CD1-CG1 3.42Å; I1203-V1240 HydrophobicContact CD1-CG2 4.36Å; I1203-V1240 HydrophobicContact CG1-CG1 3.98Å; L1207-V1240 HydrophobicContact CD1-CG2 3.99Å; L1207-V1240 HydrophobicContact CD2-CG2 3.94Å; L1207-V1240 HydrophobicContact CG-CG2 4.4Å; V1238-V1240 HydrophobicContact CG1-CG2 4.29Å; V1240-C1251 HydrophobicContact CG2-CB 4.23Å
1241L73.1Confident78.3Confident57 Ų5737.5 Ų37.530%0.29820%0.202SC..EExtended strand (participates in β ladder)trans-115.8122.9177.2-62.8174.3000109V1239 A1249 Q1250V1239-L1241 HydrophobicContact CG1-CD2 4.28Å; V1239-L1241 HydrophobicContact CG1-CG 4.16Å; L1241-A1249 WeakPolarHBondContact O-CA 3.36Å; L1241-Q1250 HydrophobicContact CB-CB 4.48Å; L1241-Q1250 PolarHBondContact N-O 3.08Å; L1241-Q1250 PolarHBondContact O-N 2.96Å
1242R69.8Low77.9Confident29 Ų2937.9 Ų37.911%0.10920%0.204CC..  trans-133105-175.6-174.2-165.8-47-172.612.1109.5E836 D1034 D1035 L1197 T1244E836-R1242 IonicContact OE2-NH2 2.75Å; D1034-R1242 HydrophobicContact CB-CB 4.5Å; D1034-R1242 WeakPolarHBondContact CB-O 3.34Å; D1034-R1242 WeakPolarHBondContact OD2-CA 3.38Å; D1034-R1242 PolarHBondContact OD2-N 3.45Å; D1035-R1242 WeakPolarHBondContact OD2-CD 3.48Å; D1035-R1242 IonicContact OD2-CZ 2.84Å; D1035-R1242 IonicContact OD2-NE 2.69Å; D1035-R1242 IonicContact OD2-NH1 3.97Å; D1035-R1242 PolarHBondContact OD2-NH1 2.96Å; L1197-R1242 HydrophobicContact CD2-CG 4.29Å; R1242-T1244 PolarHBondContact O-N 3.45Å
1243P65.5Low77.7Confident57 Ų5737.4 Ų37.437%0.3720%0.201SC..  trans-62.9102.7167.7-17.230.6000108.8S1245 R1246P1243-S1245 PolarHBondContact O-N 3.25Å; P1243-R1246 HydrophobicContact CB-CB 4.27Å; P1243-R1246 HydrophobicContact CB-CG 4.09Å; P1243-R1246 PolarHBondContact O-N 2.97Å
1244T57.1Low77.5Confident94 Ų9436.9 Ų36.958%0.57720%0.199SC*.THydrogen-bonded Turntrans-51.8-26.4-170.262.60000114.4D1034 D1035 R1242D1034-T1244 HydrophobicContact CB-CG2 3.94Å; D1034-T1244 WeakPolarHBondContact O-CG2 3.35Å; D1035-T1244 VanDerWaalsContact OD1-CG2 3.31Å; D1035-T1244 WeakPolarHBondContact OD1-CG2 3.33Å; R1242-T1244 PolarHBondContact O-N 3.45Å
1245S67.5Low77.7Confident108 Ų10834.9 Ų34.976%0.75519%0.19SC*.THydrogen-bonded Turntrans-81.6-1.9176.356.30000115.6P1243P1243-S1245 PolarHBondContact O-N 3.25Å
1246R72.5Confident78Confident149 Ų14934.8 Ų34.856%0.56219%0.189SC*.SBendtrans-130.4158-168.7-53-169.9-176.2175.71.8112.9P1243 Q1248P1243-R1246 HydrophobicContact CB-CB 4.27Å; P1243-R1246 HydrophobicContact CB-CG 4.09Å; P1243-R1246 PolarHBondContact O-N 2.97Å; R1246-Q1248 HydrophobicContact CB-CB 4.22Å; R1246-Q1248 HydrophobicContact CB-CG 3.99Å; R1246-Q1248 VanDerWaalsContact NH1-OE1 3.11Å; R1246-Q1248 PolarHBondContact O-N 3.02Å
1247N84.2Confident78.9Confident47 Ų4734 Ų3425%0.25118%0.183SC..SBendtrans-77.623.5173.6-161.830.7000112.6T1195 D1196 L1197 R1198T1195-N1247 CarbonylContact C-O 3.5Å; D1196-N1247 WeakPolarHBondContact CA-ND2 3.39Å; D1196-N1247 PolarHBondContact N-O 3.2Å; L1197-N1247 WeakPolarHBondContact CB-O 3.36Å; L1197-N1247 PolarHBondContact N-O 3.1Å; L1197-N1247 PolarHBondContact N-OD1 3.47Å; R1198-N1247 WeakPolarHBondContact CB-OD1 3.22Å; R1198-N1247 WeakPolarHBondContact CD-OD1 3.42Å; R1198-N1247 WeakPolarHBondContact CG-OD1 3.32Å; R1198-N1247 PolarHBondContact N-OD1 3.25Å
1248Q84.4Confident80Confident42 Ų4233 Ų3320%0.19618%0.179CC..  trans-110.2146.6-167.6-57.9-172.3-77.800111.1T1194 R1246T1194-Q1248 VanDerWaalsContact O-CA 3.24Å; T1194-Q1248 WeakPolarHBondContact O-CA 3.45Å; R1246-Q1248 HydrophobicContact CB-CB 4.22Å; R1246-Q1248 HydrophobicContact CB-CG 3.99Å; R1246-Q1248 VanDerWaalsContact NH1-OE1 3.11Å; R1246-Q1248 PolarHBondContact O-N 3.02Å
1249A83.7Confident81Confident2 Ų232.3 Ų32.32%0.01717%0.174CC..EExtended strand (participates in β ladder)trans-144.9144.7163.200000110.3E1193 T1194 L1197 I1203 F1206 L1241E1193-A1249 CarbonylContact C-O 3.55Å; E1193-A1249 WeakPolarHBondContact CA-O 3.36Å; T1194-A1249 HydrophobicContact CG2-CB 4.23Å; T1194-A1249 PolarHBondContact N-O 3.37Å; T1194-A1249 PolarHBondContact O-N 3.36Å; T1194-A1249 VanDerWaalsContact O-N 3.11Å; L1197-A1249 HydrophobicContact CD1-CB 3.72Å; L1197-A1249 HydrophobicContact CD2-CB 4.07Å; L1197-A1249 HydrophobicContact CG-CB 4.42Å; I1203-A1249 HydrophobicContact CD1-CB 3.98Å; F1206-A1249 HydrophobicContact CD1-CB 4.34Å; F1206-A1249 HydrophobicContact CE1-CB 4.19Å; L1241-A1249 WeakPolarHBondContact O-CA 3.36Å
1250Q85.7Confident82Confident20 Ų2030.6 Ų30.69%0.09316%0.164CC..EExtended strand (participates in β ladder)trans-114.4146.8167.9-167.9-162.256.600107.5E175 N189 V1191 R1192 E1193 L1241E175-Q1250 PolarHBondContact OE1-NE2 3.11Å; E175-Q1250 PolarHBondContact OE1-OE1 2.87Å; N189-Q1250 PolarHBondContact OD1-NE2 3.49Å; V1191-Q1250 HydrophobicContact CG1-CG 4.3Å; R1192-Q1250 CarbonylContact O-C 3.59Å; R1192-Q1250 WeakPolarHBondContact O-CA 3.39Å; R1192-Q1250 WeakPolarHBondContact O-CG 3.33Å; E1193-Q1250 HydrophobicContact CB-CG 4.44Å; L1241-Q1250 HydrophobicContact CB-CB 4.48Å; L1241-Q1250 PolarHBondContact N-O 3.08Å; L1241-Q1250 PolarHBondContact O-N 2.96Å
1251C85.6Confident82.9Confident1 Ų134.9 Ų34.91%0.00718%0.178CC..EExtended strand (participates in β ladder)trans-135.7146.2163.568.50000112.1R1192 F1206 L1207 V1239 V1240R1192-C1251 PolarHBondContact N-O 3.45Å; R1192-C1251 PolarHBondContact O-N 3.32Å; F1206-C1251 HydrophobicContact CE1-CB 3.93Å; F1206-C1251 VanDerWaalsContact CE1-SG 3.51Å; L1207-C1251 HydrophobicContact CD2-CB 4.05Å; V1239-C1251 CarbonylContact O-C 3.53Å; V1239-C1251 WeakPolarHBondContact O-CA 3.49Å; V1239-C1251 WeakPolarHBondContact O-CB 3.41Å; V1240-C1251 HydrophobicContact CG2-CB 4.23Å
1252L86.2Confident83.8Confident9 Ų932.3 Ų32.35%0.04717%0.165CC..EExtended strand (participates in β ladder)trans-106.4125.9168.7179.860.5000107.9F196 F225 L227 F1189 V1191 V1238 V1239F196-L1252 HydrophobicContact CD2-CD1 3.91Å; F196-L1252 HydrophobicContact CE2-CD1 3.49Å; F196-L1252 VanDerWaalsContact CE2-CD1 3.49Å; F196-L1252 HydrophobicContact CE2-CD2 4.13Å; F196-L1252 HydrophobicContact CE2-CG 4.48Å; F196-L1252 HydrophobicContact CZ-CD1 4.35Å; F196-L1252 HydrophobicContact CZ-CD2 4.18Å; F225-L1252 HydrophobicContact CD1-CD2 4.38Å; F225-L1252 HydrophobicContact CE1-CD2 3.47Å; F225-L1252 VanDerWaalsContact CE1-CD2 3.47Å; F225-L1252 HydrophobicContact CZ-CD2 3.77Å; L227-L1252 HydrophobicContact CD1-CD2 4.22Å; F1189-L1252 HydrophobicContact CD1-CD1 4.39Å; V1191-L1252 HydrophobicContact CG2-CD1 4.08Å; V1238-L1252 WeakPolarHBondContact CA-O 3.23Å; V1239-L1252 HydrophobicContact CB-CB 4.3Å; V1239-L1252 PolarHBondContact N-O 2.88Å; V1239-L1252 PolarHBondContact O-N 2.94Å
1253L88.2Confident84.7Confident1 Ų132.5 Ų32.51%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-121.1123.3178.2-58.1174.7000108.8F1189 F1190 L1211 V1214 L1235 V1238F1189-L1253 CarbonylContact C-O 3.6Å; F1189-L1253 WeakPolarHBondContact CA-O 3.48Å; F1190-L1253 HydrophobicContact CB-CB 4.5Å; F1190-L1253 PolarHBondContact N-O 3.45Å; F1190-L1253 PolarHBondContact O-N 3.04Å; L1211-L1253 HydrophobicContact CD2-CD1 4.19Å; L1211-L1253 HydrophobicContact CD2-CD2 4.4Å; V1214-L1253 HydrophobicContact CG2-CD1 3.99Å; L1235-L1253 HydrophobicContact CD1-CB 4.46Å; L1235-L1253 HydrophobicContact CD1-CD2 4.44Å; V1238-L1253 HydrophobicContact CB-CD2 4.23Å; V1238-L1253 HydrophobicContact CG1-CD2 3.86Å; V1238-L1253 HydrophobicContact CG2-CD2 3.89Å
1254N87.8Confident85.5Confident0 Ų035.4 Ų35.40%018%0.175CC..EExtended strand (participates in β ladder)trans-105.3121.1169.4-176.29.1000109.5F1189 L1235 S1236 E1237F1189-N1254 HydrophobicContact CD1-CB 3.74Å; F1189-N1254 HydrophobicContact CE1-CB 3.62Å; F1189-N1254 VanDerWaalsContact CE1-CG 3.4Å; F1189-N1254 WeakPolarHBondContact CE1-ND2 3.32Å; F1189-N1254 HydrophobicContact CG-CB 4.49Å; F1189-N1254 HydrophobicContact CZ-CB 4.29Å; F1189-N1254 VanDerWaalsContact CZ-ND2 3.32Å; F1189-N1254 WeakPolarHBondContact CZ-ND2 3.41Å; L1235-N1254 CarbonylContact C-O 3.5Å; L1235-N1254 WeakPolarHBondContact CA-O 3.17Å; S1236-N1254 PolarHBondContact N-O 3.08Å; E1237-N1254 HydrophobicContact CB-CB 3.75Å; E1237-N1254 PolarHBondContact O-N 2.92Å
1255V90.6Very high86.1Confident0 Ų036.8 Ų36.80%017%0.174CC..EExtended strand (participates in β ladder)trans-119.4128.2177.91620000109.9L1186 F1188 V1214 V1218 Y1233 L1235L1186-V1255 HydrophobicContact CD2-CG1 4.12Å; F1188-V1255 PolarHBondContact N-O 2.83Å; F1188-V1255 PolarHBondContact O-N 2.97Å; V1214-V1255 HydrophobicContact CG1-CB 4.29Å; V1214-V1255 HydrophobicContact CG1-CG2 3.69Å; V1218-V1255 HydrophobicContact CG2-CG1 4.07Å; Y1233-V1255 HydrophobicContact CD2-CG1 3.91Å; Y1233-V1255 HydrophobicContact CE2-CG1 3.53Å; Y1233-V1255 HydrophobicContact CE2-CG2 4.18Å; L1235-V1255 HydrophobicContact CD1-CG2 3.64Å
1256C91.7Very high85.8Confident4 Ų438.6 Ų38.63%0.02717%0.174CC..EExtended strand (participates in β ladder)trans-130.4165.5174.775.40000112.8H148 L1186 D1187 Y1233 H1234 S1236H148-C1256 VanDerWaalsContact CD2-SG 3.57Å; H148-C1256 WeakPolarHBondContact NE2-CB 3.19Å; L1186-C1256 CarbonylContact O-C 3.58Å; L1186-C1256 WeakPolarHBondContact O-CA 3.47Å; D1187-C1256 VanDerWaalsContact OD1-CB 3.29Å; D1187-C1256 WeakPolarHBondContact OD1-CB 3.48Å; Y1233-C1256 WeakPolarHBondContact CA-O 3.42Å; H1234-C1256 PolarHBondContact N-O 3.45Å; H1234-C1256 PolarHBondContact O-N 3.04Å; S1236-C1256 PolarHBondContact OG-SG 3.46Å
1257G93.7Very high84.7Confident0 Ų034.7 Ų34.70%017%0.167CC..EExtended strand (participates in β ladder)trans168.1-176.9176.600000113.7H148 N1185 L1186 L1231H148-G1257 VanDerWaalsContact ND1-C 3.32Å; H148-G1257 PolarHBondContact ND1-N 3.43Å; H148-G1257 PolarHBondContact ND1-O 3.42Å; N1185-G1257 WeakPolarHBondContact CA-O 3.25Å; L1186-G1257 PolarHBondContact N-O 3.5Å; L1186-G1257 PolarHBondContact O-N 3.11Å; L1231-G1257 CarbonylContact O-C 3.58Å; L1231-G1257 WeakPolarHBondContact O-CA 3.38Å
1258D94.1Very high82.2Confident1 Ų145.1 Ų45.11%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-111.7112.5179.8-63.8-34.1000110.5Y147 H148 C149 Y1182 L1231 S1232Y147-D1258 WeakPolarHBondContact CA-OD1 3.33Å; H148-D1258 IonicContact CG-OD1 3.94Å; H148-D1258 VanDerWaalsContact N-CG 3.3Å; H148-D1258 PolarHBondContact N-OD1 3.08Å; H148-D1258 PolarHBondContact N-OD2 2.84Å; H148-D1258 IonicContact ND1-OD1 3.52Å; H148-D1258 PolarHBondContact ND1-OD1 2.86Å; C149-D1258 PolarHBondContact N-OD2 3.42Å; C149-D1258 PolarHBondContact SG-OD2 3.39Å; Y1182-D1258 HydrophobicContact CD1-CB 4.35Å; Y1182-D1258 HydrophobicContact CE1-CB 4.43Å; L1231-D1258 HydrophobicContact CB-CB 4.38Å; L1231-D1258 PolarHBondContact N-O 3Å; L1231-D1258 PolarHBondContact O-N 3.24Å; S1232-D1258 PolarHBondContact OG-OD2 3.12Å
1259M93.7Very high82.1Confident5 Ų545.3 Ų45.33%0.02521%0.211CC..EExtended strand (participates in β ladder)trans-73.4130.9179.1-68.1-179.6-67.200109.9P95 L1183 G1184 N1185 L1186 T1222 L1225 L1230P95-M1259 HydrophobicContact CB-CE 4.09Å; P95-M1259 HydrophobicContact CG-CE 3.62Å; L1183-M1259 HydrophobicContact CB-CB 4.13Å; L1183-M1259 PolarHBondContact N-O 2.84Å; G1184-M1259 PolarHBondContact O-N 2.87Å; N1185-M1259 WeakPolarHBondContact O-CE 3.45Å; L1186-M1259 HydrophobicContact CB-CE 4.02Å; L1186-M1259 HydrophobicContact CB-CG 4.01Å; L1186-M1259 HydrophobicContact CB-SD 4.03Å; L1186-M1259 HydrophobicContact CD1-CG 4.47Å; L1186-M1259 HydrophobicContact CD1-SD 3.8Å; T1222-M1259 HydrophobicContact CG2-CB 4.17Å; T1222-M1259 HydrophobicContact CG2-CG 4.04Å; L1225-M1259 HydrophobicContact CD1-CE 3.48Å; L1225-M1259 VanDerWaalsContact CD1-CE 3.48Å; L1225-M1259 HydrophobicContact CD1-SD 3.63Å; L1230-M1259 HydrophobicContact CD1-CB 4.41Å; L1230-M1259 HydrophobicContact CD1-CG 3.55Å
1260A93.2Very high82Confident0 Ų047.5 Ų47.50%022%0.221CC..EExtended strand (participates in β ladder)trans-139.9151.3-174.200000112.4V1179 A1181 G1227 N1228 A1229 L1231 I1262V1179-A1260 HydrophobicContact CG1-CB 4.11Å; A1181-A1260 WeakPolarHBondContact O-CA 3.42Å; G1227-A1260 VanDerWaalsContact CA-O 3.31Å; G1227-A1260 WeakPolarHBondContact CA-O 3.21Å; N1228-A1260 PolarHBondContact N-O 3.23Å; A1229-A1260 PolarHBondContact N-O 3.17Å; A1229-A1260 VanDerWaalsContact N-O 3.11Å; A1229-A1260 PolarHBondContact O-N 3.08Å; A1229-A1260 VanDerWaalsContact O-O 3.12Å; L1231-A1260 HydrophobicContact CD1-CB 3.73Å; L1231-A1260 HydrophobicContact CG-CB 4.03Å; A1260-I1262 HydrophobicContact CB-CG2 4.4Å
1261R92.4Very high81.8Confident106 Ų10649.1 Ų49.140%0.423%0.228SC..EExtended strand (participates in β ladder)trans-101.6111.1156.5-164.8174.473.1-1385.5108.6E1180 A1181 G1226 N1228E1180-R1261 PolarHBondContact N-O 2.87Å; E1180-R1261 IonicContact OE2-CZ 2.87Å; E1180-R1261 IonicContact OE2-NE 2.66Å; E1180-R1261 PolarHBondContact OE2-NE 2.63Å; E1180-R1261 IonicContact OE2-NH2 2.74Å; E1180-R1261 PolarHBondContact OE2-NH2 3.31Å; A1181-R1261 PolarHBondContact N-O 2.61Å; A1181-R1261 PolarHBondContact O-N 3.28Å; G1226-R1261 VanDerWaalsContact O-CD 3.23Å; G1226-R1261 WeakPolarHBondContact O-CD 3.18Å; N1228-R1261 WeakPolarHBondContact OD1-CA 3.49Å
1262I91.5Very high81.6Confident3 Ų351.9 Ų51.92%0.01524%0.241CC..EExtended strand (participates in β ladder)trans-99.3145.5173.658170.7000110.3I1167 I1174 T1177 Y1178 V1179 N1228 A1229 A1260I1167-I1262 HydrophobicContact CD1-CD1 4.44Å; I1174-I1262 HydrophobicContact CD1-CD1 3.88Å; T1177-I1262 HydrophobicContact CG2-CD1 4.25Å; Y1178-I1262 WeakPolarHBondContact O-CA 3.41Å; V1179-I1262 HydrophobicContact CG2-CG2 3.9Å; N1228-I1262 PolarHBondContact ND2-O 3.29Å; N1228-I1262 VanDerWaalsContact OD1-CG1 3.31Å; N1228-I1262 WeakPolarHBondContact OD1-CG1 3Å; N1228-I1262 PolarHBondContact OD1-N 3.19Å; N1228-I1262 PolarHBondContact OD1-O 2.71Å; A1229-I1262 HydrophobicContact CB-CD1 3.66Å; A1229-I1262 HydrophobicContact CB-CG1 3.87Å; A1229-I1262 HydrophobicContact CB-CG2 4.28Å; A1260-I1262 HydrophobicContact CB-CG2 4.4Å
1263S89.4Confident81.3Confident33 Ų3354.6 Ų54.623%0.23125%0.253CS..EExtended strand (participates in β ladder)trans-118.2143.2165-930000109.8T1177 Y1178 E1180T1177-S1263 CarbonylContact C-O 3.55Å; T1177-S1263 VanDerWaalsContact CA-O 3.32Å; T1177-S1263 WeakPolarHBondContact CA-O 3.36Å; Y1178-S1263 WeakPolarHBondContact CD1-O 3.5Å; Y1178-S1263 VanDerWaalsContact CZ-CB 3.46Å; Y1178-S1263 PolarHBondContact N-O 3.32Å; Y1178-S1263 PolarHBondContact O-N 2.99Å; E1180-S1263 VanDerWaalsContact OE1-CB 3.3Å; E1180-S1263 WeakPolarHBondContact OE1-CB 3.47Å; E1180-S1263 PolarHBondContact OE1-OG 3.49Å
1264W82.3Confident80.8Confident119 Ų11958.1 Ų58.145%0.45127%0.269SS..EExtended strand (participates in β ladder)trans-69.8138.6173.1-61.493.3000109.3I1167 T1177 I1266I1167-W1264 HydrophobicContact CD1-CZ2 3.94Å; T1177-W1264 HydrophobicContact CG2-CD2 3.89Å; T1177-W1264 HydrophobicContact CG2-CE3 3.44Å; T1177-W1264 VanDerWaalsContact CG2-CE3 3.44Å; T1177-W1264 HydrophobicContact CG2-CH2 4.01Å; T1177-W1264 HydrophobicContact CG2-CZ2 4.41Å; T1177-W1264 HydrophobicContact CG2-CZ3 3.51Å; W1264-I1266 PolarHBondContact O-N 3.07Å
1265E69.8Low80.3Confident122 Ų12262.3 Ų62.357%0.5729%0.289SS*.  trans-71.4103.5173.9-170.7154.4-14000108.4N1176 T1267N1176-E1265 PolarHBondContact O-N 3.23Å; E1265-T1267 VanDerWaalsContact C-N 3.28Å; E1265-T1267 PolarHBondContact O-N 3.31Å
1266I60.8Low79.6Confident146 Ų14667.1 Ų67.175%0.74931%0.311SS*.  trans-72.889.1179.1-55.1178.5000107.8W1264 K1268W1264-I1266 PolarHBondContact O-N 3.07Å; I1266-K1268 PolarHBondContact O-N 3.34Å
1267T49.4Very low78.5Confident68 Ų6872.3 Ų72.342%0.41734%0.335SS..  trans-57.1107.1171.957.60000109.1N823 E1265N823-T1267 WeakPolarHBondContact ND2-CG2 3.44Å; E1265-T1267 VanDerWaalsContact C-N 3.28Å; E1265-T1267 PolarHBondContact O-N 3.31Å
1268K32.3Very low77.2Confident265 Ų26578.9 Ų78.9100%1.15237%0.365SS*.  trans-97.30178.6-82.7-173.2171.8-177.10111.8I1266I1266-K1268 PolarHBondContact O-N 3.34Å

Retrieved 1,268 of 1,268 residues in 250.1 ms (Link to these results)

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