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DNA replication terminus site-binding protein

Trans-acting protein required for termination of DNA replication. Binds to DNA replication terminator sequences (terA to terF) to prevent the passage of replication forks. The termination efficiency will be affected by the affinity of this protein for the terminator sequence.

AlphaFold DB , UniProt , Accession P16525, Species ECOLI (Escherichia coli (strain K12)), Gene tus, Length 309 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
1M55.3Low86.3Confident212 Ų21292.7 Ų92.7100%1.04445%0.448SS*.  0-56.80-83.4165.1176.800112.1R3 Y4 D5M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 3.19Å; M1-R3 VanDerWaalsContact O-N 3.16Å; M1-Y4 PolarHBondContact O-N 3.06Å; M1-Y4 VanDerWaalsContact O-N 3.14Å; M1-D5 PolarHBondContact O-N 2.97Å
2A75.5Confident87.3Confident83 Ų8390.8 Ų90.869%0.68645%0.446SS*.Hα-helixtrans-52.1-40-17700000115.9L6A2-L6 WeakPolarHBondContact O-CB 3.38Å; A2-L6 PolarHBondContact O-N 2.88Å
3R72.1Confident88.1Confident180 Ų18084.7 Ų84.768%0.67942%0.417SS*.Hα-helixtrans-70.7-34.6-179.2-167.9175.9179.1-1800.7113.9M1 V7M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 3.19Å; M1-R3 VanDerWaalsContact O-N 3.16Å; R3-V7 WeakPolarHBondContact O-CG2 3.41Å; R3-V7 PolarHBondContact O-N 3.29Å
4Y77.4Confident88.9Confident185 Ų18578.9 Ų78.973%0.72539%0.388SS*.Hα-helixtrans-70.2-44.8176.1-82.6-78.5000110.3M1 L6 V7 D8M1-Y4 PolarHBondContact O-N 3.06Å; M1-Y4 VanDerWaalsContact O-N 3.14Å; Y4-L6 VanDerWaalsContact C-N 3.29Å; Y4-L6 PolarHBondContact O-N 2.7Å; Y4-V7 PolarHBondContact O-N 3.36Å; Y4-V7 VanDerWaalsContact O-N 3.14Å; Y4-D8 PolarHBondContact O-N 2.96Å
5D91.2Very high89.5Confident92 Ų9284.8 Ų84.849%0.49241%0.405SS..Hα-helixtrans-55.1-43.6174178.222.2000111.9M1 V7 D8 R9M1-D5 PolarHBondContact O-N 2.97Å; D5-V7 PolarHBondContact O-N 2.88Å; D5-D8 PolarHBondContact O-N 3.47Å; D5-R9 WeakPolarHBondContact O-CB 3.5Å; D5-R9 WeakPolarHBondContact O-CG 3.33Å; D5-R9 PolarHBondContact O-N 3.35Å
6L94.9Very high90.1Very high29 Ų2984.9 Ų84.915%0.15240%0.404CS..Hα-helixtrans-63.9-40.8178.3-163.5152000113.1A2 Y4 R9 L10 I127 E131 W142A2-L6 WeakPolarHBondContact O-CB 3.38Å; A2-L6 PolarHBondContact O-N 2.88Å; Y4-L6 VanDerWaalsContact C-N 3.29Å; Y4-L6 PolarHBondContact O-N 2.7Å; L6-R9 PolarHBondContact O-N 3.5Å; L6-L10 WeakPolarHBondContact O-CB 3.42Å; L6-L10 PolarHBondContact O-N 3.34Å; L6-I127 HydrophobicContact CD2-CG2 3.86Å; L6-I127 HydrophobicContact CG-CG2 4.29Å; L6-E131 HydrophobicContact CD1-CB 3.92Å; L6-E131 WeakPolarHBondContact CD1-O 3.41Å; L6-W142 HydrophobicContact CD2-CH2 3.23Å; L6-W142 HydrophobicContact CD2-CZ2 3.23Å; L6-W142 HydrophobicContact CD2-CZ3 4.41Å
7V95.2Very high90.6Very high23 Ų2379.9 Ų79.914%0.13938%0.381CS..Hα-helixtrans-66.3-40.6176.4171.90000110.9R3 Y4 D5 L10 N11 W142R3-V7 WeakPolarHBondContact O-CG2 3.41Å; R3-V7 PolarHBondContact O-N 3.29Å; Y4-V7 PolarHBondContact O-N 3.36Å; Y4-V7 VanDerWaalsContact O-N 3.14Å; D5-V7 PolarHBondContact O-N 2.88Å; V7-L10 WeakPolarHBondContact O-CB 3.43Å; V7-L10 PolarHBondContact O-N 3.22Å; V7-N11 PolarHBondContact O-N 2.98Å; V7-N11 PolarHBondContact O-ND2 2.85Å; V7-W142 HydrophobicContact CG2-CZ2 4.33Å
8D95.8Very high91Very high96 Ų9679.4 Ų79.451%0.51338%0.378SS..Hα-helixtrans-64.6-42.5176-73.6-25.2000111.3Y4 D5 N11 T12Y4-D8 PolarHBondContact O-N 2.96Å; D5-D8 PolarHBondContact O-N 3.47Å; D8-N11 PolarHBondContact O-N 3.35Å; D8-T12 WeakPolarHBondContact O-CB 3.28Å; D8-T12 PolarHBondContact O-N 3.42Å; D8-T12 PolarHBondContact O-OG1 3.14Å
9R96.9Very high91.4Very high94 Ų9481.6 Ų81.636%0.35539%0.388SS..Hα-helixtrans-62.7-42.6173.8-75.7-177.159.4-152-11.2112.4D5 L6 T13 I127 E131D5-R9 WeakPolarHBondContact O-CB 3.5Å; D5-R9 WeakPolarHBondContact O-CG 3.33Å; D5-R9 PolarHBondContact O-N 3.35Å; L6-R9 PolarHBondContact O-N 3.5Å; R9-T13 WeakPolarHBondContact O-CB 3.43Å; R9-T13 PolarHBondContact O-N 2.86Å; R9-T13 PolarHBondContact O-OG1 3.38Å; R9-I127 HydrophobicContact CB-CD1 4.12Å; R9-E131 IonicContact CZ-OE1 3.86Å; R9-E131 IonicContact CZ-OE2 3.07Å; R9-E131 IonicContact NH1-OE1 3.94Å; R9-E131 IonicContact NH1-OE2 2.68Å; R9-E131 PolarHBondContact NH1-OE2 3.44Å; R9-E131 IonicContact NH2-OE1 2.95Å; R9-E131 PolarHBondContact NH2-OE1 2.93Å; R9-E131 IonicContact NH2-OE2 2.93Å; R9-E131 PolarHBondContact NH2-OE2 3.4Å
10L97.5Very high91.7Very high0 Ų079.9 Ų79.90%038%0.379CS..Hα-helixtrans-56.2-53.4175.1-178.878.9000110.6L6 V7 F14 F124 I127 V128 W142 H146 L147L6-L10 WeakPolarHBondContact O-CB 3.42Å; L6-L10 PolarHBondContact O-N 3.34Å; V7-L10 WeakPolarHBondContact O-CB 3.43Å; V7-L10 PolarHBondContact O-N 3.22Å; L10-F14 WeakPolarHBondContact O-CB 3.31Å; L10-F14 PolarHBondContact O-N 3.35Å; L10-F14 VanDerWaalsContact O-N 3.11Å; L10-F124 HydrophobicContact CD1-CD2 3.85Å; L10-F124 HydrophobicContact CD1-CE2 3.29Å; L10-F124 HydrophobicContact CD1-CZ 3.99Å; L10-F124 HydrophobicContact CG-CE2 3.92Å; L10-I127 HydrophobicContact CB-CG2 4.11Å; L10-I127 HydrophobicContact CD1-CG2 3.85Å; L10-V128 HydrophobicContact CD1-CG2 3.65Å; L10-W142 HydrophobicContact CB-CH2 4.19Å; L10-W142 HydrophobicContact CD1-CH2 3.85Å; L10-W142 HydrophobicContact CD1-CZ3 3.93Å; L10-W142 HydrophobicContact CD2-CH2 3.63Å; L10-W142 HydrophobicContact CD2-CZ2 4.02Å; L10-W142 HydrophobicContact CD2-CZ3 3.97Å; L10-W142 HydrophobicContact CG-CH2 4.09Å; L10-H146 HydrophobicContact CD2-CB 4.02Å; L10-L147 HydrophobicContact CG-CD1 4.43Å
11N97.5Very high92Very high26 Ų2676.2 Ų76.214%0.13936%0.362CS..Hα-helixtrans-66.9-44-177.3-73.8-48.5000112V7 D8 F14 R15V7-N11 PolarHBondContact O-N 2.98Å; V7-N11 PolarHBondContact O-ND2 2.85Å; D8-N11 PolarHBondContact O-N 3.35Å; N11-F14 PolarHBondContact O-N 3.44Å; N11-R15 WeakPolarHBondContact O-CB 3.5Å; N11-R15 VanDerWaalsContact O-CG 3.29Å; N11-R15 WeakPolarHBondContact O-CG 3.41Å; N11-R15 PolarHBondContact O-N 2.78Å
12T97.9Very high94.1Very high69 Ų6967.7 Ų67.742%0.42333%0.326SS..Hα-helixtrans-66.7-45.7-178.4-57.90000111.1D8 F14 R15 Q16D8-T12 WeakPolarHBondContact O-CB 3.28Å; D8-T12 PolarHBondContact O-N 3.42Å; D8-T12 PolarHBondContact O-OG1 3.14Å; T12-F14 VanDerWaalsContact C-N 3.3Å; T12-F14 PolarHBondContact O-N 3.18Å; T12-R15 PolarHBondContact O-N 3.17Å; T12-Q16 HydrophobicContact CG2-CG 4.37Å; T12-Q16 WeakPolarHBondContact O-CB 3.35Å; T12-Q16 VanDerWaalsContact O-CG 3.28Å; T12-Q16 WeakPolarHBondContact O-CG 3.4Å; T12-Q16 PolarHBondContact O-N 3.08Å
13T98.5Very high95.2Very high12 Ų1266.6 Ų66.67%0.07431%0.308CS..Hα-helixtrans-60.8-42.5177.3-54.10000110.8R9 M17 L120 T123 F124R9-T13 WeakPolarHBondContact O-CB 3.43Å; R9-T13 PolarHBondContact O-N 2.86Å; R9-T13 PolarHBondContact O-OG1 3.38Å; T13-M17 WeakPolarHBondContact O-CB 3.26Å; T13-M17 PolarHBondContact O-N 3.35Å; T13-L120 HydrophobicContact CG2-CB 4.41Å; T13-L120 HydrophobicContact CG2-CD2 4.1Å; T13-L120 WeakPolarHBondContact CG2-O 3.27Å; T13-T123 HydrophobicContact CG2-CG2 4.06Å; T13-F124 HydrophobicContact CG2-CB 3.95Å
14F98.5Very high96.4Very high3 Ų358.1 Ų58.11%0.01328%0.276CS..Hα-helixtrans-65.3-48.2178.1-177.9-93.2000112.4L10 N11 T12 Q16 M17 E18 L77 F78 F124 L147 L150 A155L10-F14 WeakPolarHBondContact O-CB 3.31Å; L10-F14 PolarHBondContact O-N 3.35Å; L10-F14 VanDerWaalsContact O-N 3.11Å; N11-F14 PolarHBondContact O-N 3.44Å; T12-F14 VanDerWaalsContact C-N 3.3Å; T12-F14 PolarHBondContact O-N 3.18Å; F14-Q16 PolarHBondContact O-N 3.19Å; F14-M17 HydrophobicContact CD2-CE 3.34Å; F14-M17 HydrophobicContact CE2-CE 3.36Å; F14-M17 HydrophobicContact CG-CE 4.23Å; F14-M17 HydrophobicContact CZ-CE 4.28Å; F14-M17 WeakPolarHBondContact O-CB 3.4Å; F14-M17 PolarHBondContact O-N 3.28Å; F14-E18 PolarHBondContact O-N 3.16Å; F14-L77 HydrophobicContact CE2-CD1 4.25Å; F14-L77 HydrophobicContact CZ-CB 4.36Å; F14-L77 HydrophobicContact CZ-CD1 3.99Å; F14-F78 AromaticContact CE1-CE2 3.64Å; F14-F78 HydrophobicContact CE1-CE2 3.64Å; F14-F78 AromaticContact CE1-CZ 3.43Å; F14-F78 HydrophobicContact CE1-CZ 3.43Å; F14-F78 VanDerWaalsContact CE1-CZ 3.43Å; F14-F78 HydrophobicContact CZ-CE1 4.49Å; F14-F78 AromaticContact CZ-CE2 3.53Å; F14-F78 HydrophobicContact CZ-CE2 3.53Å; F14-F78 AromaticContact CZ-CZ 3.47Å; F14-F78 HydrophobicContact CZ-CZ 3.47Å; F14-F78 VanDerWaalsContact CZ-CZ 3.47Å; F14-F124 HydrophobicContact CB-CD2 4.04Å; F14-F124 HydrophobicContact CB-CE2 3.83Å; F14-F124 HydrophobicContact CD2-CE1 4.45Å; F14-F124 HydrophobicContact CD2-CE2 4.07Å; F14-F124 HydrophobicContact CD2-CZ 4.06Å; F14-F124 HydrophobicContact CG-CE2 4.34Å; F14-L147 HydrophobicContact CB-CD1 3.9Å; F14-L147 HydrophobicContact CD1-CD1 4.13Å; F14-L147 HydrophobicContact CD1-CD2 3.77Å; F14-L147 HydrophobicContact CD2-CD1 4.03Å; F14-L147 HydrophobicContact CE1-CD2 4.29Å; F14-L147 HydrophobicContact CG-CD1 3.71Å; F14-L147 HydrophobicContact CG-CD2 4.2Å; F14-L150 HydrophobicContact CD2-CD1 4.22Å; F14-L150 HydrophobicContact CD2-CD2 4.41Å; F14-L150 HydrophobicContact CE2-CD1 3.29Å; F14-L150 HydrophobicContact CE2-CD2 4.25Å; F14-L150 HydrophobicContact CE2-CG 4.42Å; F14-L150 HydrophobicContact CZ-CD1 3.57Å; F14-A155 HydrophobicContact CE2-CB 4.31Å
15R98.2Very high97.3Very high168 Ų16849.6 Ų49.663%0.63424%0.244SC*.Hα-helixtrans-62.9-41.3179.5-73.7176.3-178.1-179.41.3112N11 T12 E18 Q19N11-R15 WeakPolarHBondContact O-CB 3.5Å; N11-R15 VanDerWaalsContact O-CG 3.29Å; N11-R15 WeakPolarHBondContact O-CG 3.41Å; N11-R15 PolarHBondContact O-N 2.78Å; T12-R15 PolarHBondContact O-N 3.17Å; R15-E18 PolarHBondContact O-N 3.49Å; R15-Q19 WeakPolarHBondContact O-CB 3.45Å; R15-Q19 PolarHBondContact O-N 2.79Å
16Q98.5Very high97.6Very high86 Ų8647.5 Ų47.540%0.40224%0.239SC..Hα-helixtrans-59.7-48.6173.1-75.9176.1-12.800110.7T12 F14 E18 Q19 E20 L120T12-Q16 HydrophobicContact CG2-CG 4.37Å; T12-Q16 WeakPolarHBondContact O-CB 3.35Å; T12-Q16 VanDerWaalsContact O-CG 3.28Å; T12-Q16 WeakPolarHBondContact O-CG 3.4Å; T12-Q16 PolarHBondContact O-N 3.08Å; F14-Q16 PolarHBondContact O-N 3.19Å; Q16-E18 VanDerWaalsContact C-N 3.32Å; Q16-E18 PolarHBondContact O-N 2.82Å; Q16-Q19 PolarHBondContact O-N 3.43Å; Q16-E20 WeakPolarHBondContact O-CB 3.39Å; Q16-E20 VanDerWaalsContact O-CG 3.24Å; Q16-E20 WeakPolarHBondContact O-CG 3.41Å; Q16-E20 PolarHBondContact O-N 3.12Å; Q16-L120 HydrophobicContact CB-CD1 4.09Å; Q16-L120 HydrophobicContact CB-CD2 4.27Å
17M98.5Very high97.6Very high0 Ų050 Ų500%025%0.25CC..Hα-helixtrans-57.7-44.4177.5176.9-16457.100112T13 F14 L21 L77 L120 K121 A155T13-M17 WeakPolarHBondContact O-CB 3.26Å; T13-M17 PolarHBondContact O-N 3.35Å; F14-M17 HydrophobicContact CD2-CE 3.34Å; F14-M17 HydrophobicContact CE2-CE 3.36Å; F14-M17 HydrophobicContact CG-CE 4.23Å; F14-M17 HydrophobicContact CZ-CE 4.28Å; F14-M17 WeakPolarHBondContact O-CB 3.4Å; F14-M17 PolarHBondContact O-N 3.28Å; M17-L21 HydrophobicContact CG-CD1 4.11Å; M17-L21 WeakPolarHBondContact O-CB 3.22Å; M17-L21 WeakPolarHBondContact O-CD1 3.41Å; M17-L21 VanDerWaalsContact O-CG 3.27Å; M17-L21 WeakPolarHBondContact O-CG 3.42Å; M17-L21 PolarHBondContact O-N 2.9Å; M17-L77 HydrophobicContact CE-CD1 4.24Å; M17-L120 HydrophobicContact CB-CB 4.06Å; M17-L120 HydrophobicContact CB-CD1 4.34Å; M17-K121 HydrophobicContact CG-CG 4.11Å; M17-K121 HydrophobicContact SD-CD 4.45Å; M17-K121 HydrophobicContact SD-CG 3.49Å; M17-K121 WeakPolarHBondContact SD-CG 3.31Å; M17-A155 HydrophobicContact CE-CB 4.09Å
18E98Very high97.6Very high71 Ų7148.9 Ų48.933%0.33224%0.243SC..Hα-helixtrans-63.7-43.4178.6-177174.4-136.400112.2F14 R15 Q16 L21 A22F14-E18 PolarHBondContact O-N 3.16Å; R15-E18 PolarHBondContact O-N 3.49Å; Q16-E18 VanDerWaalsContact C-N 3.32Å; Q16-E18 PolarHBondContact O-N 2.82Å; E18-L21 PolarHBondContact O-N 2.96Å; E18-A22 PolarHBondContact O-N 2.92Å
19Q98.4Very high97.6Very high122 Ų12249.1 Ų49.157%0.5724%0.241SC*.Hα-helixtrans-64.7-48.5176.9-177.9174.16.600111.5R15 Q16 L21 A22 I23R15-Q19 WeakPolarHBondContact O-CB 3.45Å; R15-Q19 PolarHBondContact O-N 2.79Å; Q16-Q19 PolarHBondContact O-N 3.43Å; Q19-L21 VanDerWaalsContact C-N 3.28Å; Q19-L21 PolarHBondContact O-N 2.8Å; Q19-A22 WeakPolarHBondContact O-CB 3.41Å; Q19-A22 PolarHBondContact O-N 3.28Å; Q19-I23 HydrophobicContact CG-CD1 3.96Å; Q19-I23 WeakPolarHBondContact O-CG1 3.37Å; Q19-I23 PolarHBondContact O-N 3Å
20E98.6Very high97.6Very high46 Ų4652 Ų5222%0.21526%0.259CS..Hα-helixtrans-62.3-36179.1-69.9-57.2147.600111.8Q16 A22 I23 F24 H113 I117 L120Q16-E20 WeakPolarHBondContact O-CB 3.39Å; Q16-E20 VanDerWaalsContact O-CG 3.24Å; Q16-E20 WeakPolarHBondContact O-CG 3.41Å; Q16-E20 PolarHBondContact O-N 3.12Å; E20-A22 VanDerWaalsContact C-N 3.31Å; E20-A22 PolarHBondContact O-N 2.83Å; E20-I23 PolarHBondContact O-N 3.45Å; E20-F24 WeakPolarHBondContact O-CB 3.41Å; E20-F24 PolarHBondContact O-N 3.44Å; E20-H113 IonicContact OE2-CD2 3.78Å; E20-H113 IonicContact OE2-CE1 3.84Å; E20-H113 IonicContact OE2-NE2 3.77Å; E20-H113 PolarHBondContact OE2-NE2 2.96Å; E20-I117 HydrophobicContact CB-CD1 4.31Å; E20-I117 HydrophobicContact CB-CG1 3.79Å; E20-L120 HydrophobicContact CG-CD1 4.14Å
21L98.4Very high97.6Very high3 Ų354.1 Ų54.12%0.01627%0.268CS..Hα-helixtrans-61.5-37.8172.2-81165.8000112.6M17 E18 Q19 A25 F74 R75 L77 I117 L159M17-L21 HydrophobicContact CG-CD1 4.11Å; M17-L21 WeakPolarHBondContact O-CB 3.22Å; M17-L21 WeakPolarHBondContact O-CD1 3.41Å; M17-L21 VanDerWaalsContact O-CG 3.27Å; M17-L21 WeakPolarHBondContact O-CG 3.42Å; M17-L21 PolarHBondContact O-N 2.9Å; E18-L21 PolarHBondContact O-N 2.96Å; Q19-L21 VanDerWaalsContact C-N 3.28Å; Q19-L21 PolarHBondContact O-N 2.8Å; L21-A25 WeakPolarHBondContact O-CB 3.36Å; L21-A25 PolarHBondContact O-N 2.75Å; L21-F74 HydrophobicContact CD2-CB 4.26Å; L21-R75 HydrophobicContact CB-CG 4.09Å; L21-L77 HydrophobicContact CD1-CD1 4.3Å; L21-I117 HydrophobicContact CD2-CD1 4.33Å; L21-I117 HydrophobicContact CD2-CG2 3.98Å; L21-I117 HydrophobicContact CG-CG2 4.13Å; L21-L159 HydrophobicContact CD2-CD1 3.98Å; L21-L159 HydrophobicContact CD2-CD2 4.44Å; L21-L159 HydrophobicContact CD2-CG 4.46Å
22A97.9Very high97.6Very high34 Ų3459.5 Ų59.528%0.28129%0.29SS..Hα-helixtrans-71.2-44.1177.300000111.9E18 Q19 E20 A25 A26E18-A22 PolarHBondContact O-N 2.92Å; Q19-A22 WeakPolarHBondContact O-CB 3.41Å; Q19-A22 PolarHBondContact O-N 3.28Å; E20-A22 VanDerWaalsContact C-N 3.31Å; E20-A22 PolarHBondContact O-N 2.83Å; A22-A25 PolarHBondContact O-N 3.36Å; A22-A26 PolarHBondContact O-N 3.26Å; A22-A26 VanDerWaalsContact O-N 3.14Å
23I98.4Very high97.6Very high60 Ų6057.9 Ų57.931%0.30828%0.279SS..Hα-helixtrans-62.6-46.5176.6-62.3169.4000109.9Q19 E20 A25 A26 H27Q19-I23 HydrophobicContact CG-CD1 3.96Å; Q19-I23 WeakPolarHBondContact O-CG1 3.37Å; Q19-I23 PolarHBondContact O-N 3Å; E20-I23 PolarHBondContact O-N 3.45Å; I23-A25 VanDerWaalsContact C-N 3.34Å; I23-A25 PolarHBondContact O-N 3.07Å; I23-A26 PolarHBondContact O-N 2.8Å; I23-H27 VanDerWaalsContact CG2-CE1 3.43Å; I23-H27 WeakPolarHBondContact CG2-CE1 3.45Å; I23-H27 PolarHBondContact O-N 2.77Å
24F98.1Very high97.6Very high1 Ų159.6 Ų59.60%0.00429%0.288CS..Hα-helixtrans-58.4-45177.3173.5-106000112.3E20 A26 H27 L28 L110 H113 I114 I117 L159 I260E20-F24 WeakPolarHBondContact O-CB 3.41Å; E20-F24 PolarHBondContact O-N 3.44Å; F24-A26 VanDerWaalsContact C-N 3.33Å; F24-A26 PolarHBondContact O-N 3.22Å; F24-H27 PolarHBondContact O-N 2.93Å; F24-L28 HydrophobicContact CE1-CD1 3.93Å; F24-L28 HydrophobicContact CE2-CD1 4.03Å; F24-L28 HydrophobicContact CZ-CB 4.46Å; F24-L28 HydrophobicContact CZ-CD1 3.4Å; F24-L28 HydrophobicContact CZ-CG 4.48Å; F24-L28 WeakPolarHBondContact O-CB 3.45Å; F24-L28 PolarHBondContact O-N 2.86Å; F24-L110 HydrophobicContact CD2-CD2 4.45Å; F24-L110 HydrophobicContact CE2-CD2 3.98Å; F24-H113 HydrophobicContact CD2-CB 4.19Å; F24-H113 AromaticContact CD2-CG 3.94Å; F24-H113 AromaticContact CD2-ND1 3.73Å; F24-H113 PolarHBondContact N-CE1 2.94Å; F24-I114 HydrophobicContact CD2-CG1 4.35Å; F24-I114 HydrophobicContact CE1-CG1 4.4Å; F24-I114 HydrophobicContact CE2-CD1 3.95Å; F24-I114 HydrophobicContact CE2-CG1 3.48Å; F24-I114 VanDerWaalsContact CE2-CG1 3.48Å; F24-I114 HydrophobicContact CZ-CD1 3.73Å; F24-I114 HydrophobicContact CZ-CG1 3.5Å; F24-I114 VanDerWaalsContact CZ-CG1 3.5Å; F24-I117 HydrophobicContact CB-CD1 3.63Å; F24-I117 HydrophobicContact CD1-CD1 4.29Å; F24-I117 HydrophobicContact CD2-CD1 4.49Å; F24-I117 HydrophobicContact CG-CD1 3.88Å; F24-L159 HydrophobicContact CD1-CD1 3.99Å; F24-L159 HydrophobicContact CE1-CD1 3.85Å; F24-I260 HydrophobicContact CE1-CD1 3.74Å; F24-I260 HydrophobicContact CZ-CD1 3.78Å
25A96.8Very high97.6Very high7 Ų761.3 Ų61.36%0.05830%0.298CS..Hα-helixtrans-58.8-45.317700000111.6L21 A22 I23 L28 E29 L71L21-A25 WeakPolarHBondContact O-CB 3.36Å; L21-A25 PolarHBondContact O-N 2.75Å; A22-A25 PolarHBondContact O-N 3.36Å; I23-A25 VanDerWaalsContact C-N 3.34Å; I23-A25 PolarHBondContact O-N 3.07Å; A25-L28 PolarHBondContact O-N 3.08Å; A25-E29 WeakPolarHBondContact O-CG 3.44Å; A25-E29 PolarHBondContact O-N 2.83Å; A25-L71 HydrophobicContact CB-CB 4.41Å; A25-L71 HydrophobicContact CB-CD2 3.98Å
26A97Very high97.6Very high47 Ų4753.5 Ų53.539%0.38827%0.269SS..Hα-helixtrans-63.4-42.3177.800000112.5A22 I23 F24 L28 Q30A22-A26 PolarHBondContact O-N 3.26Å; A22-A26 VanDerWaalsContact O-N 3.14Å; I23-A26 PolarHBondContact O-N 2.8Å; F24-A26 VanDerWaalsContact C-N 3.33Å; F24-A26 PolarHBondContact O-N 3.22Å; A26-L28 VanDerWaalsContact C-N 3.35Å; A26-Q30 WeakPolarHBondContact O-CG 3.49Å
27H95.1Very high97.6Very high82 Ų8251.7 Ų51.738%0.3826%0.259SS..Hα-helixtrans-64.1-39.9175.4-69.1169.2000112.4I23 F24 Q30 H31 H113I23-H27 VanDerWaalsContact CG2-CE1 3.43Å; I23-H27 WeakPolarHBondContact CG2-CE1 3.45Å; I23-H27 PolarHBondContact O-N 2.77Å; F24-H27 PolarHBondContact O-N 2.93Å; H27-Q30 WeakPolarHBondContact O-CB 3.3Å; H27-Q30 PolarHBondContact O-N 3.09Å; H27-H31 PolarHBondContact O-CE1 3.34Å; H27-H31 PolarHBondContact O-ND1 2.95Å; H27-H113 AromaticContact ND1-CE1 3.96Å; H27-H113 AromaticContact ND1-ND1 3.82Å
28L95.5Very high97.7Very high0 Ų051.7 Ų51.70%026%0.259CS..Hα-helixtrans-72.6-33.4-177.6-177128.4000111.7F24 A25 A26 Q30 H31 L71 L98 Y100 I260F24-L28 HydrophobicContact CE1-CD1 3.93Å; F24-L28 HydrophobicContact CE2-CD1 4.03Å; F24-L28 HydrophobicContact CZ-CB 4.46Å; F24-L28 HydrophobicContact CZ-CD1 3.4Å; F24-L28 HydrophobicContact CZ-CG 4.48Å; F24-L28 WeakPolarHBondContact O-CB 3.45Å; F24-L28 PolarHBondContact O-N 2.86Å; A25-L28 PolarHBondContact O-N 3.08Å; A26-L28 VanDerWaalsContact C-N 3.35Å; L28-Q30 PolarHBondContact O-N 2.81Å; L28-H31 PolarHBondContact O-N 2.9Å; L28-L71 HydrophobicContact CD2-CD2 3.57Å; L28-L98 HydrophobicContact CD2-CD1 4.47Å; L28-Y100 HydrophobicContact CD1-CD2 4.15Å; L28-Y100 HydrophobicContact CD1-CE2 4.02Å; L28-Y100 HydrophobicContact CD2-CD2 4.22Å; L28-Y100 HydrophobicContact CD2-CE1 4.21Å; L28-Y100 HydrophobicContact CD2-CE2 3.33Å; L28-Y100 WeakPolarHBondContact CD2-OH 3.27Å; L28-Y100 HydrophobicContact CG-CD2 4.04Å; L28-Y100 HydrophobicContact CG-CE1 4.22Å; L28-Y100 HydrophobicContact CG-CE2 3.62Å; L28-Y100 HydrophobicContact CG-CG 4.49Å; L28-Y100 WeakPolarHBondContact O-CE1 3.43Å; L28-I260 HydrophobicContact CD1-CG2 3.77Å
29E95.5Very high97.7Very high101 Ų10148.3 Ų48.347%0.47224%0.243SC..Hα-helixtrans-63.3-24.3172.5-76.9-179.7149.200114A25 H31 L71A25-E29 WeakPolarHBondContact O-CG 3.44Å; A25-E29 PolarHBondContact O-N 2.83Å; E29-H31 PolarHBondContact O-N 3Å; E29-L71 HydrophobicContact CG-CD1 3.21Å; E29-L71 WeakPolarHBondContact OE1-CD1 3.09Å
30Q96.1Very high97.7Very high155 Ų15544.1 Ų44.172%0.72423%0.227SC*.THydrogen-bonded Turntrans-73.1-15.8177.6-66.7173.8-13.300113.2A26 H27 L28A26-Q30 WeakPolarHBondContact O-CG 3.49Å; H27-Q30 WeakPolarHBondContact O-CB 3.3Å; H27-Q30 PolarHBondContact O-N 3.09Å; L28-Q30 PolarHBondContact O-N 2.81Å
31H97.7Very high97.7Very high44 Ų4444 Ų4420%0.20423%0.228CC..SBendtrans-86.8146.1-179.8-68.273.3000111H27 L28 E29 L33 Y100 S106H27-H31 PolarHBondContact O-CE1 3.34Å; H27-H31 PolarHBondContact O-ND1 2.95Å; L28-H31 PolarHBondContact O-N 2.9Å; E29-H31 PolarHBondContact O-N 3Å; H31-L33 PolarHBondContact O-N 3.24Å; H31-L33 VanDerWaalsContact O-N 3.12Å; H31-Y100 HydrophobicContact CB-CD1 3.71Å; H31-Y100 HydrophobicContact CB-CG 4.33Å; H31-Y100 WeakPolarHBondContact O-CD1 3.49Å; H31-S106 VanDerWaalsContact NE2-CB 3.34Å; H31-S106 WeakPolarHBondContact NE2-CB 3.35Å
32K97.8Very high97.5Very high138 Ų13847.2 Ų47.260%0.625%0.249SC*.  trans-62.7117.9177.6-176.7-179.5-179.4-176.90110.1L34 Y100 Q101K32-L34 HydrophobicContact CD-CD2 4.38Å; K32-L34 PolarHBondContact O-N 2.86Å; K32-Y100 WeakPolarHBondContact O-CA 3.22Å; K32-Q101 HydrophobicContact CB-CB 4.18Å; K32-Q101 PolarHBondContact O-N 2.83Å
33L98.4Very high97.4Very high36 Ų3649.4 Ų49.419%0.18825%0.254CS..EExtended strand (participates in β ladder)trans-77.3115.7173.5-171.669.1000109.8H31 A36 Q67 L98 Y100H31-L33 PolarHBondContact O-N 3.24Å; H31-L33 VanDerWaalsContact O-N 3.12Å; L33-A36 HydrophobicContact CD1-CB 4.05Å; L33-A36 HydrophobicContact CD2-CB 3.74Å; L33-A36 HydrophobicContact CG-CB 4.15Å; L33-Q67 HydrophobicContact CD2-CB 3.96Å; L33-L98 HydrophobicContact CD1-CB 4.36Å; L33-Y100 HydrophobicContact CB-CE1 4.25Å; L33-Y100 HydrophobicContact CD1-CD1 4.13Å; L33-Y100 HydrophobicContact CD1-CD2 4.38Å; L33-Y100 HydrophobicContact CD1-CE1 3.73Å; L33-Y100 HydrophobicContact CD1-CE2 3.96Å; L33-Y100 HydrophobicContact CD1-CG 4.46Å
34L98.3Very high97.3Very high48 Ų4848.4 Ų48.425%0.25125%0.25SS..EExtended strand (participates in β ladder)trans-85.3-48179.9-62.5174.2000111.1K32 C99 Q101 I263 V271K32-L34 HydrophobicContact CD-CD2 4.38Å; K32-L34 PolarHBondContact O-N 2.86Å; L34-C99 HydrophobicContact CB-CB 4.44Å; L34-C99 PolarHBondContact N-O 3.01Å; L34-Q101 HydrophobicContact CD1-CB 4Å; L34-Q101 HydrophobicContact CD2-CB 4.14Å; L34-Q101 HydrophobicContact CG-CB 4.05Å; L34-I263 HydrophobicContact CD1-CB 3.69Å; L34-I263 HydrophobicContact CD1-CG1 3.79Å; L34-I263 HydrophobicContact CD1-CG2 3.94Å; L34-V271 HydrophobicContact CB-CG1 4.45Å; L34-V271 HydrophobicContact CD1-CG2 4.45Å
35V98.3Very high97.1Very high38 Ų3853 Ų5323%0.2327%0.27CS..EExtended strand (participates in β ladder)trans-145.9136.6179.1-175.20000107.8C99 V271 V274V35-C99 HydrophobicContact CB-CB 4.1Å; V35-C99 PolarHBondContact N-O 3.18Å; V35-C99 WeakPolarHBondContact O-CB 3.23Å; V35-C99 PolarHBondContact O-N 3.37Å; V35-V271 HydrophobicContact CG2-CG1 3.39Å; V35-V274 HydrophobicContact CB-CG2 4.46Å; V35-V274 HydrophobicContact CG1-CB 4.12Å; V35-V274 HydrophobicContact CG1-CG2 3.94Å
36A98.7Very high96.9Very high4 Ų457.6 Ų57.63%0.03329%0.289CS..EExtended strand (participates in β ladder)trans-136.1127.2166.400000108.9L33 L62 G63 A66 L98L33-A36 HydrophobicContact CD1-CB 4.05Å; L33-A36 HydrophobicContact CD2-CB 3.74Å; L33-A36 HydrophobicContact CG-CB 4.15Å; A36-L62 WeakPolarHBondContact O-CA 3.49Å; A36-G63 WeakPolarHBondContact CB-O 3.37Å; A36-G63 PolarHBondContact O-N 2.88Å; A36-A66 HydrophobicContact CB-CB 3.66Å; A36-L98 HydrophobicContact CB-CD2 3.52Å
37R98.8Very high96.7Very high48 Ų4862.1 Ų62.118%0.18130%0.302CS..EExtended strand (participates in β ladder)trans-143.2113.2176.8-162.6172.7-161.2172.76.7108.2F39 Q60 L62 G96 V97 V274 E276R37-F39 HydrophobicContact CB-CZ 4.5Å; R37-F39 HydrophobicContact CG-CE1 3.9Å; R37-F39 HydrophobicContact CG-CE2 4.38Å; R37-F39 HydrophobicContact CG-CZ 3.56Å; R37-Q60 HydrophobicContact CG-CG 4.29Å; R37-Q60 VanDerWaalsContact NE-CD 3.34Å; R37-L62 HydrophobicContact CB-CD2 4.08Å; R37-L62 HydrophobicContact CG-CD2 3.67Å; R37-G96 CarbonylContact O-C 3.48Å; R37-G96 WeakPolarHBondContact O-CA 3.07Å; R37-V97 PolarHBondContact N-O 2.72Å; R37-V97 VanDerWaalsContact N-O 3.08Å; R37-V97 PolarHBondContact O-N 3.19Å; R37-V274 HydrophobicContact CB-CG1 4.03Å; R37-V274 PolarHBondContact NH1-O 3.07Å; R37-E276 VanDerWaalsContact CZ-CB 3.47Å; R37-E276 IonicContact NH2-OE2 3.24Å; R37-E276 PolarHBondContact NH2-OE2 2.93Å
38V98.9Very high96.5Very high0 Ų061.2 Ų61.20%030%0.3CS..EExtended strand (participates in β ladder)trans-131.3154.9176.8-55.70000109.9H61 A66 A70 L94 P95 L98 P258V38-H61 HydrophobicContact CG2-CB 3.83Å; V38-H61 PolarHBondContact N-O 3.22Å; V38-H61 VanDerWaalsContact N-O 3.17Å; V38-H61 PolarHBondContact O-N 3.38Å; V38-A66 HydrophobicContact CB-CB 4.46Å; V38-A66 HydrophobicContact CG1-CB 4.29Å; V38-A66 HydrophobicContact CG2-CB 3.65Å; V38-A70 HydrophobicContact CG1-CB 4.42Å; V38-L94 HydrophobicContact CB-CD1 4.19Å; V38-L94 HydrophobicContact CB-CG 4.11Å; V38-L94 HydrophobicContact CG2-CD1 4.08Å; V38-L94 HydrophobicContact CG2-CD2 4.38Å; V38-L94 HydrophobicContact CG2-CG 4.31Å; V38-P95 CarbonylContact C-O 3.55Å; V38-P95 WeakPolarHBondContact CA-O 3.36Å; V38-L98 HydrophobicContact CG1-CD2 4.48Å; V38-P258 HydrophobicContact CG1-CB 4.01Å; V38-P258 HydrophobicContact CG1-CG 3.92Å
39F98.8Very high96.3Very high1 Ų162.9 Ų62.90%0.00431%0.308CS..EExtended strand (participates in β ladder)trans-127.5109.2-172.9-43.5-86.8000109.2R37 L41 V58 K59 Q60 P95 F170 E276 L277R37-F39 HydrophobicContact CB-CZ 4.5Å; R37-F39 HydrophobicContact CG-CE1 3.9Å; R37-F39 HydrophobicContact CG-CE2 4.38Å; R37-F39 HydrophobicContact CG-CZ 3.56Å; F39-L41 WeakPolarHBondContact O-CD1 3.18Å; F39-V58 HydrophobicContact CB-CB 4.14Å; F39-V58 HydrophobicContact CB-CG2 4.41Å; F39-K59 CarbonylContact C-O 3.55Å; F39-K59 WeakPolarHBondContact CA-O 3.42Å; F39-Q60 HydrophobicContact CD1-CB 4.13Å; F39-Q60 HydrophobicContact CD1-CG 4.28Å; F39-Q60 HydrophobicContact CE1-CB 4.35Å; F39-Q60 HydrophobicContact CE1-CG 4.09Å; F39-P95 HydrophobicContact CB-CG 4.22Å; F39-P95 HydrophobicContact CD2-CB 4.49Å; F39-P95 HydrophobicContact CD2-CG 4.39Å; F39-P95 WeakPolarHBondContact CD2-O 3.48Å; F39-P95 PolarHBondContact N-O 3.41Å; F39-P95 VanDerWaalsContact O-CD 3.3Å; F39-P95 WeakPolarHBondContact O-CD 3.44Å; F39-F170 HydrophobicContact CE2-CB 4.45Å; F39-F170 HydrophobicContact CE2-CD1 4.45Å; F39-F170 AromaticContact CE2-CD2 3.62Å; F39-F170 HydrophobicContact CE2-CD2 3.62Å; F39-F170 AromaticContact CE2-CE2 3.92Å; F39-F170 HydrophobicContact CE2-CE2 3.92Å; F39-F170 AromaticContact CE2-CG 3.92Å; F39-F170 HydrophobicContact CE2-CG 3.92Å; F39-F170 HydrophobicContact CE2-CZ 4.45Å; F39-F170 HydrophobicContact CZ-CD2 4.02Å; F39-F170 HydrophobicContact CZ-CE2 4.35Å; F39-E276 HydrophobicContact CE1-CB 4.11Å; F39-E276 HydrophobicContact CZ-CB 4.32Å; F39-L277 HydrophobicContact CB-CB 4.28Å; F39-L277 HydrophobicContact CB-CD2 4.07Å; F39-L277 HydrophobicContact CD1-CB 3.84Å; F39-L277 HydrophobicContact CD2-CB 3.5Å; F39-L277 VanDerWaalsContact CD2-CB 3.5Å; F39-L277 HydrophobicContact CD2-CD2 4.14Å; F39-L277 HydrophobicContact CD2-CG 4.49Å; F39-L277 HydrophobicContact CE1-CB 4.02Å; F39-L277 VanDerWaalsContact CE1-N 3.28Å; F39-L277 HydrophobicContact CE2-CB 3.71Å; F39-L277 HydrophobicContact CG-CB 3.59Å; F39-L277 HydrophobicContact CG-CD2 4.2Å; F39-L277 HydrophobicContact CG-CG 4.48Å; F39-L277 HydrophobicContact CZ-CB 3.96Å
40S98.5Very high95.9Very high34 Ų3465 Ų6524%0.23832%0.317CS..EExtended strand (participates in β ladder)trans-75.4137.7174.459.20000109.6V58 K59 H61S40-V58 WeakPolarHBondContact O-CA 3.35Å; S40-K59 PolarHBondContact N-O 2.92Å; S40-K59 PolarHBondContact O-N 3.41Å; S40-K59 WeakPolarHBondContact OG-CB 3.41Å; S40-K59 PolarHBondContact OG-O 2.88Å; S40-H61 PolarHBondContact OG-NE2 2.85Å
41L97.7Very high95.7Very high42 Ų4261.3 Ų61.322%0.2230%0.303CS..PPolyproline II helixtrans-98.3157.1176.2-87.463.4000109.9F39 I56 V58 R93 P95 W172F39-L41 WeakPolarHBondContact O-CD1 3.18Å; L41-I56 HydrophobicContact CD2-CG2 4.36Å; L41-I56 HydrophobicContact CG-CG2 4Å; L41-V58 HydrophobicContact CD1-CG1 3.85Å; L41-V58 HydrophobicContact CG-CG1 4.22Å; L41-R93 HydrophobicContact CD2-CB 4.4Å; L41-P95 HydrophobicContact CD1-CG 3.87Å; L41-W172 HydrophobicContact CD1-CH2 4.1Å; L41-W172 HydrophobicContact CD2-CH2 3.81Å; L41-W172 HydrophobicContact CD2-CZ3 4.05Å; L41-W172 HydrophobicContact CG-CH2 4.02Å
42P96.2Very high95.2Very high72 Ų7263.9 Ų63.947%0.46832%0.323SS..PPolyproline II helixtrans-58.7148.1175.5-22.334.7000111.9I56 E57P42-I56 HydrophobicContact CG-CG2 4.3Å; P42-E57 VanDerWaalsContact CD-O 3.23Å; P42-E57 WeakPolarHBondContact CD-O 3.2Å; P42-E57 VanDerWaalsContact CG-O 3.26Å; P42-E57 WeakPolarHBondContact CG-O 3.42Å
43E95.2Very high94.8Very high80 Ų8060.4 Ų60.437%0.37431%0.311SS..PPolyproline II helixtrans-64.9135.6170.2178.9161.1145.900110.4S83 R86E43-S83 PolarHBondContact OE1-OG 3.47Å; E43-R86 HydrophobicContact CG-CB 4.23Å; E43-R86 HydrophobicContact CG-CG 3.97Å; E43-R86 WeakPolarHBondContact OE1-CB 3.22Å; E43-R86 IonicContact OE1-NE 3.54Å; E43-R86 IonicContact OE2-CZ 3.25Å; E43-R86 VanDerWaalsContact OE2-CZ 3.24Å; E43-R86 IonicContact OE2-NE 3.27Å; E43-R86 PolarHBondContact OE2-NE 3.43Å; E43-R86 IonicContact OE2-NH2 2.78Å; E43-R86 PolarHBondContact OE2-NH2 3.47Å
44V94.9Very high94.6Very high39 Ų3962.8 Ų62.824%0.23632%0.324CS..  trans-101.3114.6170.4-178.20000107.6D48 S87 A90V44-D48 HydrophobicContact CG1-CB 4.43Å; V44-S87 VanDerWaalsContact O-CB 3.28Å; V44-S87 WeakPolarHBondContact O-CB 3.35Å; V44-S87 PolarHBondContact O-N 3.36Å; V44-A90 HydrophobicContact CB-CB 3.75Å; V44-A90 HydrophobicContact CG1-CB 3.78Å; V44-A90 HydrophobicContact CG2-CB 4.17Å
45K94.5Very high94.5Very high98 Ų9868.9 Ų68.943%0.42634%0.343SS..BIsolated β-bridgetrans-74.9160.5174.2-61.3178.4-177.5176.20110.7E47 D48 E49 N85K45-E47 VanDerWaalsContact C-N 3.27Å; K45-E47 HydrophobicContact CB-CG 4.04Å; K45-E47 VanDerWaalsContact CD-OE1 3.29Å; K45-E47 WeakPolarHBondContact CD-OE1 3.29Å; K45-E47 IonicContact NZ-OE1 3.91Å; K45-E47 PolarHBondContact O-N 2.91Å; K45-D48 PolarHBondContact O-N 3.37Å; K45-D48 VanDerWaalsContact O-N 3.11Å; K45-E49 PolarHBondContact O-N 2.85Å; K45-N85 WeakPolarHBondContact CA-O 3.03Å
46K92.2Very high94.4Very high102 Ų10267.6 Ų67.644%0.44334%0.335SS..G310 helixtrans-55.9-40.2177.7-73.2173.1175.1164.70113D48 E49 E84 N85K46-D48 VanDerWaalsContact C-N 3.29Å; K46-D48 PolarHBondContact O-N 3.36Å; K46-E49 WeakPolarHBondContact O-CB 3.43Å; K46-E49 WeakPolarHBondContact O-CG 3.48Å; K46-E49 PolarHBondContact O-N 2.98Å; K46-E84 WeakPolarHBondContact CE-O 3.45Å; K46-E84 PolarHBondContact NZ-O 2.8Å; K46-N85 PolarHBondContact N-O 2.96Å; K46-N85 VanDerWaalsContact N-O 3.1Å
47E92.8Very high94.4Very high143 Ų14374.5 Ų74.567%0.66837%0.367SS*.G310 helixtrans-67.1-27.1178.361.7-154.317900113.7K45K45-E47 VanDerWaalsContact C-N 3.27Å; K45-E47 HydrophobicContact CB-CG 4.04Å; K45-E47 VanDerWaalsContact CD-OE1 3.29Å; K45-E47 WeakPolarHBondContact CD-OE1 3.29Å; K45-E47 IonicContact NZ-OE1 3.91Å; K45-E47 PolarHBondContact O-N 2.91Å
48D92.6Very high94.3Very high63 Ų6373.2 Ų73.234%0.33736%0.364SS..G310 helixtrans-93.73.1-177.9-62.1-51.7000113.5V44 K45 K46 H50 N51V44-D48 HydrophobicContact CG1-CB 4.43Å; K45-D48 PolarHBondContact O-N 3.37Å; K45-D48 VanDerWaalsContact O-N 3.11Å; K46-D48 VanDerWaalsContact C-N 3.29Å; K46-D48 PolarHBondContact O-N 3.36Å; D48-H50 PolarHBondContact O-N 2.93Å; D48-N51 WeakPolarHBondContact O-CB 3.46Å; D48-N51 PolarHBondContact O-N 3.45Å; D48-N51 PolarHBondContact OD1-ND2 2.86Å
49E89.7Confident94.3Very high35 Ų3580 Ų8016%0.16439%0.393CS..THydrogen-bonded Turntrans-56.1-29.6-173.7-83.4-172.9-17300113.9K45 K46 S87 K89 K235K45-E49 PolarHBondContact O-N 2.85Å; K46-E49 WeakPolarHBondContact O-CB 3.43Å; K46-E49 WeakPolarHBondContact O-CG 3.48Å; K46-E49 PolarHBondContact O-N 2.98Å; E49-S87 WeakPolarHBondContact CG-OG 3.47Å; E49-S87 VanDerWaalsContact OE1-CB 3.23Å; E49-S87 WeakPolarHBondContact OE1-CB 3.25Å; E49-S87 PolarHBondContact OE1-OG 3.46Å; E49-K89 WeakPolarHBondContact OE2-CD 3.27Å; E49-K235 PolarHBondContact O-NZ 3.4Å
50H88Confident94.3Very high144 Ų14483.2 Ų83.267%0.66741%0.409SS*.THydrogen-bonded Turntrans-99.6-9.9-176.1-63.4-68.6000113.5D48D48-H50 PolarHBondContact O-N 2.93Å
51N90.8Very high94.3Very high79 Ų7982.3 Ų82.342%0.42240%0.401SS..SBendtrans-64.7140.8-177.7-68.2-11.8000110.7D48D48-N51 WeakPolarHBondContact O-CB 3.46Å; D48-N51 PolarHBondContact O-N 3.45Å; D48-N51 PolarHBondContact OD1-ND2 2.86Å
52P88Confident94.4Very high98 Ų9884.9 Ų84.964%0.63641%0.414SS*.  trans-64.8136.3172.327.9-32.9000109.4N54P52-N54 PolarHBondContact O-N 2.83Å
53L90.4Very high94.5Very high65 Ų6582.8 Ų82.834%0.3441%0.406SS..  trans-91.380.4175.7-71.5167.2000108.3I56 K235 V236 Y280L53-I56 HydrophobicContact CB-CD1 4.41Å; L53-I56 HydrophobicContact CB-CG1 4.45Å; L53-I56 HydrophobicContact CD1-CD1 4.44Å; L53-I56 HydrophobicContact CD2-CG1 4.45Å; L53-K235 HydrophobicContact CD1-CD 4.19Å; L53-V236 HydrophobicContact CB-CG1 4.16Å; L53-V236 HydrophobicContact CD1-CG1 4.36Å; L53-Y280 WeakPolarHBondContact O-CE1 3.43Å
54N93.2Very high94.6Very high86 Ų8684.9 Ų84.946%0.4642%0.419SS..SBendtrans-77.7-32.7178.7-66.2-16.8000111.8P52 A282P52-N54 PolarHBondContact O-N 2.83Å; N54-A282 HydrophobicContact CB-CB 4.43Å; N54-A282 WeakPolarHBondContact O-CB 3.49Å; N54-A282 PolarHBondContact O-N 3.03Å
55R95.9Very high94.8Very high176 Ų17687.1 Ų87.166%0.66443%0.43SS*.EExtended strand (participates in β ladder)trans-134.1143.3176.2-66.5-176.4175.4-171.8-2.6110.8Y280 D281R55-Y280 VanDerWaalsContact CA-O 3.22Å; R55-Y280 WeakPolarHBondContact CA-O 3.42Å; R55-D281 IonicContact CZ-OD2 3.5Å; R55-D281 IonicContact NE-OD1 3.55Å; R55-D281 IonicContact NE-OD2 3.69Å; R55-D281 IonicContact NH2-OD2 2.7Å
56I96.8Very high95Very high11 Ų1182.4 Ų82.46%0.05641%0.41CS..EExtended strand (participates in β ladder)trans-134.6111.4173.9-53.8173.6000107.8L41 P42 L53 V58 W172 V236 N279 Y280L41-I56 HydrophobicContact CD2-CG2 4.36Å; L41-I56 HydrophobicContact CG-CG2 4Å; P42-I56 HydrophobicContact CG-CG2 4.3Å; L53-I56 HydrophobicContact CB-CD1 4.41Å; L53-I56 HydrophobicContact CB-CG1 4.45Å; L53-I56 HydrophobicContact CD1-CD1 4.44Å; L53-I56 HydrophobicContact CD2-CG1 4.45Å; I56-V58 HydrophobicContact CG2-CG1 4.29Å; I56-W172 HydrophobicContact CB-CH2 4.23Å; I56-W172 HydrophobicContact CB-CZ2 4.29Å; I56-W172 HydrophobicContact CD1-CE3 4.4Å; I56-W172 HydrophobicContact CD1-CH2 4.01Å; I56-W172 HydrophobicContact CD1-CZ3 3.87Å; I56-W172 HydrophobicContact CG2-CH2 3.9Å; I56-W172 HydrophobicContact CG2-CZ2 4.24Å; I56-V236 HydrophobicContact CD1-CG1 3.51Å; I56-N279 CarbonylContact O-C 3.55Å; I56-N279 VanDerWaalsContact O-CA 3.28Å; I56-N279 WeakPolarHBondContact O-CA 3.42Å; I56-N279 WeakPolarHBondContact O-CB 3.39Å; I56-Y280 HydrophobicContact CD1-CD1 4.19Å; I56-Y280 HydrophobicContact CD1-CG 4.45Å; I56-Y280 HydrophobicContact CG1-CD1 4.1Å; I56-Y280 HydrophobicContact CG1-CG 4.47Å; I56-Y280 PolarHBondContact N-O 3.47Å; I56-Y280 VanDerWaalsContact N-O 3.09Å; I56-Y280 PolarHBondContact O-N 2.85Å
57E97.9Very high95.3Very high149 Ų14978.6 Ų78.670%0.69639%0.394SS*.PPolyproline II helixtrans-85.1120.2172.7-172.2175.4176.100109.3P42 N279P42-E57 VanDerWaalsContact CD-O 3.23Å; P42-E57 WeakPolarHBondContact CD-O 3.2Å; P42-E57 VanDerWaalsContact CG-O 3.26Å; P42-E57 WeakPolarHBondContact CG-O 3.42Å; E57-N279 WeakPolarHBondContact CA-OD1 3.46Å
58V98Very high95.5Very high21 Ų2174.4 Ų74.413%0.12738%0.38CS..PPolyproline II helixtrans-102142.7179-61.40000110.6F39 S40 L41 I56 W172 L277 N279F39-V58 HydrophobicContact CB-CB 4.14Å; F39-V58 HydrophobicContact CB-CG2 4.41Å; S40-V58 WeakPolarHBondContact O-CA 3.35Å; L41-V58 HydrophobicContact CD1-CG1 3.85Å; L41-V58 HydrophobicContact CG-CG1 4.22Å; I56-V58 HydrophobicContact CG2-CG1 4.29Å; V58-W172 HydrophobicContact CG1-CH2 3.98Å; V58-W172 HydrophobicContact CG1-CZ2 3.61Å; V58-L277 HydrophobicContact CG1-CD2 4.18Å; V58-L277 HydrophobicContact CG2-CG 4.49Å; V58-L277 WeakPolarHBondContact CG2-O 3.32Å; V58-N279 WeakPolarHBondContact CG2-OD1 3.5Å; V58-N279 PolarHBondContact N-OD1 2.92Å
59K98.6Very high95.8Very high141 Ų14173.5 Ų73.561%0.61338%0.375SS*.EExtended strand (participates in β ladder)trans-102.9121.3170.9-178.5179.6-176.8178.10109.4F39 S40 H61F39-K59 CarbonylContact C-O 3.55Å; F39-K59 WeakPolarHBondContact CA-O 3.42Å; S40-K59 PolarHBondContact N-O 2.92Å; S40-K59 PolarHBondContact O-N 3.41Å; S40-K59 WeakPolarHBondContact OG-CB 3.41Å; S40-K59 PolarHBondContact OG-O 2.88Å; K59-H61 PolarHBondContact O-CD2 3.11Å; K59-H61 VanDerWaalsContact O-CD2 3.24Å
60Q98.7Very high96.2Very high70 Ų7071.9 Ų71.933%0.32737%0.367SS..EExtended strand (participates in β ladder)trans-78.3138176.2179176.9-74.800111.2R37 F39 L62R37-Q60 HydrophobicContact CG-CG 4.29Å; R37-Q60 VanDerWaalsContact NE-CD 3.34Å; F39-Q60 HydrophobicContact CD1-CB 4.13Å; F39-Q60 HydrophobicContact CD1-CG 4.28Å; F39-Q60 HydrophobicContact CE1-CB 4.35Å; F39-Q60 HydrophobicContact CE1-CG 4.09Å; Q60-L62 HydrophobicContact CG-CD2 4.06Å; Q60-L62 HydrophobicContact CG-CG 4.21Å
61H98.8Very high96.7Very high15 Ų1565.4 Ų65.47%0.06934%0.338CS..EExtended strand (participates in β ladder)trans-122.2144.1170-58.1-92.6000109V38 S40 K59 D65 A66 L69V38-H61 HydrophobicContact CG2-CB 3.83Å; V38-H61 PolarHBondContact N-O 3.22Å; V38-H61 VanDerWaalsContact N-O 3.17Å; V38-H61 PolarHBondContact O-N 3.38Å; S40-H61 PolarHBondContact OG-NE2 2.85Å; K59-H61 PolarHBondContact O-CD2 3.11Å; K59-H61 VanDerWaalsContact O-CD2 3.24Å; H61-D65 IonicContact CE1-OD2 3.84Å; H61-D65 IonicContact CG-OD2 2.83Å; H61-D65 IonicContact ND1-OD1 2.92Å; H61-D65 IonicContact ND1-OD2 3.18Å; H61-D65 PolarHBondContact ND1-OD2 3.23Å; H61-A66 HydrophobicContact CB-CB 4.16Å; H61-L69 HydrophobicContact CB-CD1 3.97Å; H61-L69 VanDerWaalsContact ND1-CD1 3.29Å; H61-L69 WeakPolarHBondContact ND1-CD1 3.44Å
62L98.7Very high97Very high95 Ų9569.4 Ų69.450%0.49735%0.347SS..EExtended strand (participates in β ladder)trans-129.4155.8-176.3-63.2178.7000111.8A36 R37 Q60 N64 D65 A66A36-L62 WeakPolarHBondContact O-CA 3.49Å; R37-L62 HydrophobicContact CB-CD2 4.08Å; R37-L62 HydrophobicContact CG-CD2 3.67Å; Q60-L62 HydrophobicContact CG-CD2 4.06Å; Q60-L62 HydrophobicContact CG-CG 4.21Å; L62-N64 PolarHBondContact O-N 2.91Å; L62-D65 PolarHBondContact O-N 2.81Å; L62-A66 PolarHBondContact O-N 2.86Å
63G98.1Very high97.5Very high29 Ų2965.8 Ų65.830%0.29932%0.321SS..Hα-helixtrans56.7-132.7172.100000113.3A36 D65 A66 Q67A36-G63 WeakPolarHBondContact CB-O 3.37Å; A36-G63 PolarHBondContact O-N 2.88Å; G63-D65 VanDerWaalsContact C-N 3.3Å; G63-D65 PolarHBondContact O-N 2.88Å; G63-A66 WeakPolarHBondContact O-CB 3.3Å; G63-A66 PolarHBondContact O-N 2.89Å; G63-Q67 PolarHBondContact O-N 2.82Å
64N97.9Very high97.9Very high123 Ų12363.3 Ų63.366%0.65831%0.308SS*.Hα-helixtrans-65.2-30.6-176.2-65.8-12.8000113.5L62 Q67 S68L62-N64 PolarHBondContact O-N 2.91Å; N64-Q67 PolarHBondContact O-N 2.79Å; N64-S68 WeakPolarHBondContact O-CB 3.35Å; N64-S68 PolarHBondContact O-N 3.37Å
65D98.5Very high98.1Very high86 Ų8664.8 Ų64.846%0.4631%0.307SS..Hα-helixtrans-64.2-45.5174.3-178.533.6000110.4H61 L62 G63 Q67 S68 L69H61-D65 IonicContact CE1-OD2 3.84Å; H61-D65 IonicContact CG-OD2 2.83Å; H61-D65 IonicContact ND1-OD1 2.92Å; H61-D65 IonicContact ND1-OD2 3.18Å; H61-D65 PolarHBondContact ND1-OD2 3.23Å; L62-D65 PolarHBondContact O-N 2.81Å; G63-D65 VanDerWaalsContact C-N 3.3Å; G63-D65 PolarHBondContact O-N 2.88Å; D65-Q67 PolarHBondContact O-N 2.99Å; D65-S68 PolarHBondContact O-N 2.88Å; D65-L69 WeakPolarHBondContact O-CB 3.46Å; D65-L69 WeakPolarHBondContact O-CG 3.1Å; D65-L69 PolarHBondContact O-N 2.61Å
66A98.7Very high98.2Very high0 Ų057.4 Ų57.40%028%0.28CS..Hα-helixtrans-61.2-42.8173.800000112.8A36 V38 H61 L62 G63 A70A36-A66 HydrophobicContact CB-CB 3.66Å; V38-A66 HydrophobicContact CB-CB 4.46Å; V38-A66 HydrophobicContact CG1-CB 4.29Å; V38-A66 HydrophobicContact CG2-CB 3.65Å; H61-A66 HydrophobicContact CB-CB 4.16Å; L62-A66 PolarHBondContact O-N 2.86Å; G63-A66 WeakPolarHBondContact O-CB 3.3Å; G63-A66 PolarHBondContact O-N 2.89Å; A66-A70 WeakPolarHBondContact O-CB 3.34Å; A66-A70 PolarHBondContact O-N 3.43Å
67Q98.6Very high98.2Very high22 Ų2257 Ų5710%0.10328%0.278CS..Hα-helixtrans-60-52.5176.3178.4-178.164.800111.3L33 G63 N64 D65 L69 A70 L71 L98 Y100L33-Q67 HydrophobicContact CD2-CB 3.96Å; G63-Q67 PolarHBondContact O-N 2.82Å; N64-Q67 PolarHBondContact O-N 2.79Å; D65-Q67 PolarHBondContact O-N 2.99Å; Q67-L69 VanDerWaalsContact C-N 3.33Å; Q67-L69 PolarHBondContact O-N 3.27Å; Q67-A70 PolarHBondContact O-N 2.8Å; Q67-L71 HydrophobicContact CG-CD1 3.76Å; Q67-L71 HydrophobicContact CG-CG 4.39Å; Q67-L71 VanDerWaalsContact O-CG 3.27Å; Q67-L71 WeakPolarHBondContact O-CG 3.36Å; Q67-L71 PolarHBondContact O-N 3.35Å; Q67-L98 HydrophobicContact CB-CD2 4.44Å; Q67-Y100 WeakPolarHBondContact CG-OH 3.09Å; Q67-Y100 PolarHBondContact NE2-OH 3.24Å
68S98.3Very high98.2Very high54 Ų5451.5 Ų51.538%0.37825%0.252SS..Hα-helixtrans-58.8-44.2-178.9-170.60000112.1N64 D65 R72N64-S68 WeakPolarHBondContact O-CB 3.35Å; N64-S68 PolarHBondContact O-N 3.37Å; D65-S68 PolarHBondContact O-N 2.88Å; S68-R72 WeakPolarHBondContact O-CB 3.48Å; S68-R72 PolarHBondContact O-N 3.49Å; S68-R72 VanDerWaalsContact O-N 3.13Å
69L98.4Very high98Very high45 Ų4553.8 Ų53.824%0.23626%0.262CS..Hα-helixtrans-63.6-44.1177.1-76.6171000112.4H61 D65 Q67 H73 L94H61-L69 HydrophobicContact CB-CD1 3.97Å; H61-L69 VanDerWaalsContact ND1-CD1 3.29Å; H61-L69 WeakPolarHBondContact ND1-CD1 3.44Å; D65-L69 WeakPolarHBondContact O-CB 3.46Å; D65-L69 WeakPolarHBondContact O-CG 3.1Å; D65-L69 PolarHBondContact O-N 2.61Å; Q67-L69 VanDerWaalsContact C-N 3.33Å; Q67-L69 PolarHBondContact O-N 3.27Å; L69-H73 VanDerWaalsContact O-CB 3.25Å; L69-H73 WeakPolarHBondContact O-CB 3.37Å; L69-H73 PolarHBondContact O-N 2.83Å; L69-L94 HydrophobicContact CB-CD2 4.12Å
70A98.6Very high97.9Very high0 Ų052.9 Ų52.90%026%0.261CS..Hα-helixtrans-63.2-46.318000000112.5V38 A66 Q67 R72 H73 F74 L98 P258V38-A70 HydrophobicContact CG1-CB 4.42Å; A66-A70 WeakPolarHBondContact O-CB 3.34Å; A66-A70 PolarHBondContact O-N 3.43Å; Q67-A70 PolarHBondContact O-N 2.8Å; A70-R72 PolarHBondContact O-N 3.28Å; A70-H73 WeakPolarHBondContact O-CB 3.42Å; A70-H73 PolarHBondContact O-N 2.89Å; A70-H73 VanDerWaalsContact O-N 3.1Å; A70-F74 VanDerWaalsContact O-CD2 3.32Å; A70-F74 WeakPolarHBondContact O-CD2 3.36Å; A70-F74 WeakPolarHBondContact O-CG 3.46Å; A70-F74 PolarHBondContact O-N 2.99Å; A70-L98 HydrophobicContact CB-CD1 3.63Å; A70-L98 HydrophobicContact CB-CD2 4.1Å; A70-L98 HydrophobicContact CB-CG 4.04Å; A70-P258 HydrophobicContact CB-CB 4.03Å; A70-P258 HydrophobicContact CB-CG 3.64Å
71L97.9Very high97.6Very high9 Ų954.1 Ų54.15%0.04727%0.266CS..Hα-helixtrans-66.3-39.2-179.3-63.3174000112.1A25 L28 E29 Q67 H73 F74A25-L71 HydrophobicContact CB-CB 4.41Å; A25-L71 HydrophobicContact CB-CD2 3.98Å; L28-L71 HydrophobicContact CD2-CD2 3.57Å; E29-L71 HydrophobicContact CG-CD1 3.21Å; E29-L71 WeakPolarHBondContact OE1-CD1 3.09Å; Q67-L71 HydrophobicContact CG-CD1 3.76Å; Q67-L71 HydrophobicContact CG-CG 4.39Å; Q67-L71 VanDerWaalsContact O-CG 3.27Å; Q67-L71 WeakPolarHBondContact O-CG 3.36Å; Q67-L71 PolarHBondContact O-N 3.35Å; L71-H73 VanDerWaalsContact C-N 3.33Å; L71-F74 HydrophobicContact CD2-CD2 4.17Å; L71-F74 HydrophobicContact CD2-CE2 4.23Å
72R97.7Very high97.3Very high163 Ų16354.9 Ų54.962%0.61527%0.27SS*.Hα-helixtrans-63.3-41170.5-168-177-53.6170.87.2111.4S68 A70 F74 R75 H76S68-R72 WeakPolarHBondContact O-CB 3.48Å; S68-R72 PolarHBondContact O-N 3.49Å; S68-R72 VanDerWaalsContact O-N 3.13Å; A70-R72 PolarHBondContact O-N 3.28Å; R72-F74 VanDerWaalsContact C-N 3.35Å; R72-F74 PolarHBondContact O-N 3.04Å; R72-R75 CarbonylContact O-C 3.59Å; R72-R75 PolarHBondContact O-N 3.13Å; R72-R75 VanDerWaalsContact O-N 3.1Å; R72-H76 PolarHBondContact O-N 2.97Å; R72-H76 VanDerWaalsContact O-N 3.08Å
73H98.1Very high97Very high21 Ų2152.9 Ų52.910%0.09726%0.264CS..Hα-helixtrans-62.9-38.4-179.6-173.882.7000112.6L69 A70 L71 R75 H76 L94 P256L69-H73 VanDerWaalsContact O-CB 3.25Å; L69-H73 WeakPolarHBondContact O-CB 3.37Å; L69-H73 PolarHBondContact O-N 2.83Å; A70-H73 WeakPolarHBondContact O-CB 3.42Å; A70-H73 PolarHBondContact O-N 2.89Å; A70-H73 VanDerWaalsContact O-N 3.1Å; L71-H73 VanDerWaalsContact C-N 3.33Å; H73-R75 PolarHBondContact O-N 2.98Å; H73-H76 WeakPolarHBondContact O-CB 3.47Å; H73-H76 PolarHBondContact O-N 3.2Å; H73-L94 HydrophobicContact CB-CB 4.43Å; H73-L94 HydrophobicContact CB-CD2 3.69Å; H73-P256 PolarHBondContact NE2-O 2.88Å
74F98Very high96.7Very high14 Ų1459.3 Ų59.36%0.06129%0.286CS..Hα-helixtrans-60.7-27.3175-61.7-42.7000113.3L21 A70 L71 R72 L159 P258 I260L21-F74 HydrophobicContact CD2-CB 4.26Å; A70-F74 VanDerWaalsContact O-CD2 3.32Å; A70-F74 WeakPolarHBondContact O-CD2 3.36Å; A70-F74 WeakPolarHBondContact O-CG 3.46Å; A70-F74 PolarHBondContact O-N 2.99Å; L71-F74 HydrophobicContact CD2-CD2 4.17Å; L71-F74 HydrophobicContact CD2-CE2 4.23Å; R72-F74 VanDerWaalsContact C-N 3.35Å; R72-F74 PolarHBondContact O-N 3.04Å; F74-L159 HydrophobicContact CB-CD2 4.31Å; F74-L159 HydrophobicContact CD1-CD2 3.4Å; F74-L159 HydrophobicContact CD2-CD2 4.26Å; F74-L159 HydrophobicContact CE1-CD2 3.64Å; F74-L159 HydrophobicContact CE2-CD2 4.47Å; F74-L159 HydrophobicContact CG-CD2 3.76Å; F74-L159 HydrophobicContact CZ-CD2 4.18Å; F74-P258 HydrophobicContact CE1-CB 4.49Å; F74-P258 WeakPolarHBondContact CE1-O 3.35Å; F74-P258 HydrophobicContact CZ-CB 4.19Å; F74-P258 WeakPolarHBondContact CZ-O 3.49Å; F74-I260 HydrophobicContact CE2-CD1 4.13Å; F74-I260 HydrophobicContact CE2-CG1 4.42Å; F74-I260 HydrophobicContact CZ-CD1 3.96Å; F74-I260 HydrophobicContact CZ-CG1 4.03Å
75R97.6Very high96.5Very high116 Ų11659 Ų5944%0.43829%0.285SS..THydrogen-bonded Turntrans-101.94.6-178.6-64.1168.761.4-162.6-1.1113.2L21 R72 H73 L77 Q81L21-R75 HydrophobicContact CB-CG 4.09Å; R72-R75 CarbonylContact O-C 3.59Å; R72-R75 PolarHBondContact O-N 3.13Å; R72-R75 VanDerWaalsContact O-N 3.1Å; H73-R75 PolarHBondContact O-N 2.98Å; R75-L77 PolarHBondContact O-N 3.47Å; R75-Q81 PolarHBondContact O-NE2 3.31Å; R75-Q81 PolarHBondContact O-OE1 3.31Å
76H97.4Very high96.3Very high22 Ų2257.8 Ų57.810%0.10227%0.273CS..  trans-79.184.4176.1-175.8-124.1000110R72 H73 Q81 Q82 N154R72-H76 PolarHBondContact O-N 2.97Å; R72-H76 VanDerWaalsContact O-N 3.08Å; H73-H76 WeakPolarHBondContact O-CB 3.47Å; H73-H76 PolarHBondContact O-N 3.2Å; H76-Q81 VanDerWaalsContact CA-OE1 3.22Å; H76-Q81 PolarHBondContact CD2-OE1 2.81Å; H76-Q82 PolarHBondContact CE1-OE1 3.35Å; H76-Q82 VanDerWaalsContact CE1-OE1 3.24Å; H76-N154 WeakPolarHBondContact O-CB 3.2Å; H76-N154 PolarHBondContact O-ND2 3.34Å
77L97.4Very high96Very high2 Ų257.8 Ų57.81%0.0127%0.274CS..  trans-110.9-17.5-170.9-63.5175.1000113.2F14 M17 L21 R75 L150 I151 N154F14-L77 HydrophobicContact CE2-CD1 4.25Å; F14-L77 HydrophobicContact CZ-CB 4.36Å; F14-L77 HydrophobicContact CZ-CD1 3.99Å; M17-L77 HydrophobicContact CE-CD1 4.24Å; L21-L77 HydrophobicContact CD1-CD1 4.3Å; R75-L77 PolarHBondContact O-N 3.47Å; L77-L150 HydrophobicContact CB-CD1 4.46Å; L77-L150 WeakPolarHBondContact O-CD1 3.26Å; L77-I151 WeakPolarHBondContact O-CB 3.45Å; L77-I151 PolarHBondContact O-N 3.28Å; L77-N154 HydrophobicContact CD2-CB 4.14Å
78F97.3Very high95.6Very high33 Ų3360.6 Ų60.615%0.14530%0.296CS..BIsolated β-bridgetrans-126.6141.8-169.3-76.2-75.3000112F14 Q80 Q81 G149 L150F14-F78 AromaticContact CE1-CE2 3.64Å; F14-F78 HydrophobicContact CE1-CE2 3.64Å; F14-F78 AromaticContact CE1-CZ 3.43Å; F14-F78 HydrophobicContact CE1-CZ 3.43Å; F14-F78 VanDerWaalsContact CE1-CZ 3.43Å; F14-F78 HydrophobicContact CZ-CE1 4.49Å; F14-F78 AromaticContact CZ-CE2 3.53Å; F14-F78 HydrophobicContact CZ-CE2 3.53Å; F14-F78 AromaticContact CZ-CZ 3.47Å; F14-F78 HydrophobicContact CZ-CZ 3.47Å; F14-F78 VanDerWaalsContact CZ-CZ 3.47Å; F78-Q80 PolarHBondContact O-N 3.49Å; F78-Q81 HydrophobicContact CB-CG 4.14Å; F78-Q81 VanDerWaalsContact O-CB 3.32Å; F78-Q81 WeakPolarHBondContact O-CB 3.4Å; F78-Q81 PolarHBondContact O-N 2.98Å; F78-G149 WeakPolarHBondContact CA-O 3.26Å; F78-L150 HydrophobicContact CD1-CB 4.43Å; F78-L150 HydrophobicContact CE1-CB 4.09Å; F78-L150 HydrophobicContact CE1-CD1 4.13Å; F78-L150 HydrophobicContact CZ-CD1 4.24Å
79I95.4Very high95.2Very high69 Ų6965 Ų6535%0.35431%0.308SS..G310 helixtrans-63.3-24.1177.465178.8000112.6Q81 Q82 G149 I151I79-Q81 PolarHBondContact O-N 3.47Å; I79-Q82 WeakPolarHBondContact O-CG 3.39Å; I79-Q82 PolarHBondContact O-N 2.9Å; I79-Q82 VanDerWaalsContact O-N 3.13Å; I79-G149 PolarHBondContact N-O 3.05Å; I79-I151 HydrophobicContact CG2-CD1 4.24Å; I79-I151 HydrophobicContact CG2-CG1 3.74Å
80Q94.9Very high94.9Very high123 Ų12364.3 Ų64.358%0.57531%0.309SS*.G310 helixtrans-67.3-14.5176.7-62.683.7-7.700112.4F78 Q82 P148F78-Q80 PolarHBondContact O-N 3.49Å; Q80-Q82 VanDerWaalsContact C-N 3.29Å; Q80-P148 PolarHBondContact NE2-O 3.35Å; Q80-P148 VanDerWaalsContact NE2-O 3.09Å
81Q93.6Very high94.7Very high95 Ų9566.3 Ų66.344%0.44433%0.325SS..G310 helixtrans-87.63.1176.2-59.4169.7-35.100112.7R75 H76 F78 I79R75-Q81 PolarHBondContact O-NE2 3.31Å; R75-Q81 PolarHBondContact O-OE1 3.31Å; H76-Q81 VanDerWaalsContact CA-OE1 3.22Å; H76-Q81 PolarHBondContact CD2-OE1 2.81Å; F78-Q81 HydrophobicContact CB-CG 4.14Å; F78-Q81 VanDerWaalsContact O-CB 3.32Å; F78-Q81 WeakPolarHBondContact O-CB 3.4Å; F78-Q81 PolarHBondContact O-N 2.98Å; I79-Q81 PolarHBondContact O-N 3.47Å
82Q93.1Very high94.5Very high31 Ų3167.4 Ų67.415%0.14533%0.332CS..SBendtrans-135.1169.3178.957.5175.833.200111.5H76 I79 Q80H76-Q82 PolarHBondContact CE1-OE1 3.35Å; H76-Q82 VanDerWaalsContact CE1-OE1 3.24Å; I79-Q82 WeakPolarHBondContact O-CG 3.39Å; I79-Q82 PolarHBondContact O-N 2.9Å; I79-Q82 VanDerWaalsContact O-N 3.13Å; Q80-Q82 VanDerWaalsContact C-N 3.29Å
83S92Very high94.5Very high54 Ų5461.9 Ų61.938%0.37831%0.311SS..  trans-61.9145.917657.60000111.4E43 N85 R86E43-S83 PolarHBondContact OE1-OG 3.47Å; S83-N85 PolarHBondContact O-N 2.94Å; S83-R86 WeakPolarHBondContact O-CB 3.22Å; S83-R86 PolarHBondContact O-N 3.41Å; S83-R86 WeakPolarHBondContact OG-CB 3.3Å; S83-R86 PolarHBondContact OG-N 2.92Å
84E91.6Very high94.5Very high163 Ų16361.4 Ų61.476%0.76231%0.309SS*.THydrogen-bonded Turntrans-65.2-26.6176.7-170.2-179.9173.600112.6K46 R86K46-E84 WeakPolarHBondContact CE-O 3.45Å; K46-E84 PolarHBondContact NZ-O 2.8Å; E84-R86 VanDerWaalsContact C-N 3.31Å
85N93Very high94.6Very high118 Ų11860.7 Ų60.763%0.63131%0.307SS*.THydrogen-bonded Turntrans-76.5-18.4178.8-68.4-20.4000113.2K45 K46 S83K45-N85 WeakPolarHBondContact CA-O 3.03Å; K46-N85 PolarHBondContact N-O 2.96Å; K46-N85 VanDerWaalsContact N-O 3.1Å; S83-N85 PolarHBondContact O-N 2.94Å
86R93.8Very high94.6Very high59 Ų5955.2 Ų55.222%0.22329%0.286CS..BIsolated β-bridgetrans-69.3140.3176.1-175.6174.7-77.9-153.3-5.8110.2E43 S83 E84 S88E43-R86 HydrophobicContact CG-CB 4.23Å; E43-R86 HydrophobicContact CG-CG 3.97Å; E43-R86 WeakPolarHBondContact OE1-CB 3.22Å; E43-R86 IonicContact OE1-NE 3.54Å; E43-R86 IonicContact OE2-CZ 3.25Å; E43-R86 VanDerWaalsContact OE2-CZ 3.24Å; E43-R86 IonicContact OE2-NE 3.27Å; E43-R86 PolarHBondContact OE2-NE 3.43Å; E43-R86 IonicContact OE2-NH2 2.78Å; E43-R86 PolarHBondContact OE2-NH2 3.47Å; S83-R86 WeakPolarHBondContact O-CB 3.22Å; S83-R86 PolarHBondContact O-N 3.41Å; S83-R86 WeakPolarHBondContact OG-CB 3.3Å; S83-R86 PolarHBondContact OG-N 2.92Å; E84-R86 VanDerWaalsContact C-N 3.31Å; R86-S88 PolarHBondContact O-N 3.4Å
87S93.6Very high94.7Very high1 Ų154.1 Ų54.11%0.00728%0.281CS..  trans-61135173.3173.90000111.5V44 E49 K89 A90V44-S87 VanDerWaalsContact O-CB 3.28Å; V44-S87 WeakPolarHBondContact O-CB 3.35Å; V44-S87 PolarHBondContact O-N 3.36Å; E49-S87 WeakPolarHBondContact CG-OG 3.47Å; E49-S87 VanDerWaalsContact OE1-CB 3.23Å; E49-S87 WeakPolarHBondContact OE1-CB 3.25Å; E49-S87 PolarHBondContact OE1-OG 3.46Å; S87-K89 PolarHBondContact OG-N 2.9Å; S87-K89 VanDerWaalsContact OG-N 3.08Å; S87-A90 WeakPolarHBondContact OG-CB 3.04Å; S87-A90 PolarHBondContact OG-N 3.38Å
88S90.4Very high94.8Very high80 Ų8054 Ų5456%0.55928%0.28SS*.SBendtrans-87.7-12.4168.856.90000112.7R86R86-S88 PolarHBondContact O-N 3.4Å
89K89.7Confident94.8Very high147 Ų14752.5 Ų52.564%0.63927%0.273SS*.SBendtrans-92.6-37.1179.9-173.2178.4179.9179.50112.5E49 S87 A91E49-K89 WeakPolarHBondContact OE2-CD 3.27Å; S87-K89 PolarHBondContact OG-N 2.9Å; S87-K89 VanDerWaalsContact OG-N 3.08Å; K89-A91 PolarHBondContact O-N 3.14Å
90A92.4Very high95Very high30 Ų3049.2 Ų49.225%0.24826%0.257CS..SBendtrans-73.5122.4175.200000109.6V44 S87 V92V44-A90 HydrophobicContact CB-CB 3.75Å; V44-A90 HydrophobicContact CG1-CB 3.78Å; V44-A90 HydrophobicContact CG2-CB 4.17Å; S87-A90 WeakPolarHBondContact OG-CB 3.04Å; S87-A90 PolarHBondContact OG-N 3.38Å; A90-V92 PolarHBondContact O-N 3.27Å
91A93.1Very high95.2Very high42 Ų4246.2 Ų46.235%0.34724%0.243SC..PPolyproline II helixtrans-63.4120.1177.800000111.1K89 R93K89-A91 PolarHBondContact O-N 3.14Å; A91-R93 HydrophobicContact CB-CG 4.23Å; A91-R93 PolarHBondContact O-N 2.93Å
92V95.4Very high95.4Very high33 Ų3341.8 Ų41.820%0.222%0.222CC..PPolyproline II helixtrans-65.6127.7160.7-1750000107.8A90 R157A90-V92 PolarHBondContact O-N 3.27Å; V92-R157 PolarHBondContact O-NH1 2.91Å
93R97Very high95.6Very high46 Ų4642.1 Ų42.117%0.17423%0.225CC..  trans-131.4144.8-178.9-64.2179.2-179.9150.8-2.2110.3L41 A91 V236 P256L41-R93 HydrophobicContact CD2-CB 4.4Å; A91-R93 HydrophobicContact CB-CG 4.23Å; A91-R93 PolarHBondContact O-N 2.93Å; R93-V236 PolarHBondContact NH1-O 3.24Å; R93-P256 CarbonylContact C-O 3.58Å; R93-P256 WeakPolarHBondContact CA-O 3.43Å; R93-P256 HydrophobicContact CG-CB 4.06Å
94L98.6Very high95.9Very high11 Ų1143.6 Ų43.66%0.05823%0.229CC..  trans-137.175.8174.6-173.568.7000108.2V38 L69 H73 P256 T257 P258V38-L94 HydrophobicContact CB-CD1 4.19Å; V38-L94 HydrophobicContact CB-CG 4.11Å; V38-L94 HydrophobicContact CG2-CD1 4.08Å; V38-L94 HydrophobicContact CG2-CD2 4.38Å; V38-L94 HydrophobicContact CG2-CG 4.31Å; L69-L94 HydrophobicContact CB-CD2 4.12Å; H73-L94 HydrophobicContact CB-CB 4.43Å; H73-L94 HydrophobicContact CB-CD2 3.69Å; L94-P256 PolarHBondContact N-O 2.72Å; L94-T257 CarbonylContact O-C 3.57Å; L94-T257 VanDerWaalsContact O-C 3.31Å; L94-P258 HydrophobicContact CB-CG 4.33Å; L94-P258 HydrophobicContact CD2-CG 3.88Å; L94-P258 HydrophobicContact CG-CG 4Å; L94-P258 WeakPolarHBondContact O-CD 3.35Å; L94-P258 VanDerWaalsContact O-CG 3.22Å; L94-P258 WeakPolarHBondContact O-CG 3.41Å; L94-P258 VanDerWaalsContact O-N 3.08Å
95P98.8Very high96.2Very high0 Ų042.8 Ų42.80%023%0.229CC..  trans-59.7151.2174.424.2-33.8000111.4V38 F39 L41 P238 C255 L277V38-P95 CarbonylContact C-O 3.55Å; V38-P95 WeakPolarHBondContact CA-O 3.36Å; F39-P95 HydrophobicContact CB-CG 4.22Å; F39-P95 HydrophobicContact CD2-CB 4.49Å; F39-P95 HydrophobicContact CD2-CG 4.39Å; F39-P95 WeakPolarHBondContact CD2-O 3.48Å; F39-P95 PolarHBondContact N-O 3.41Å; F39-P95 VanDerWaalsContact O-CD 3.3Å; F39-P95 WeakPolarHBondContact O-CD 3.44Å; L41-P95 HydrophobicContact CD1-CG 3.87Å; P95-P238 HydrophobicContact CB-CB 3.71Å; P95-P238 HydrophobicContact CB-CG 4.04Å; P95-P238 HydrophobicContact CG-CB 3.76Å; P95-P238 HydrophobicContact CG-CG 3.96Å; P95-C255 WeakPolarHBondContact CA-O 3.44Å; P95-C255 HydrophobicContact CB-CB 4.2Å; P95-C255 WeakPolarHBondContact CB-O 3.32Å; P95-L277 HydrophobicContact CB-CD2 4.15Å; P95-L277 HydrophobicContact CG-CD2 3.49Å; P95-L277 VanDerWaalsContact CG-CD2 3.49Å
96G98.8Very high96.4Very high0 Ų038.3 Ų38.30%021%0.206CC..EExtended strand (participates in β ladder)trans149.7-167.2177.700000112.7R37 C255 P258 L259R37-G96 CarbonylContact O-C 3.48Å; R37-G96 WeakPolarHBondContact O-CA 3.07Å; G96-C255 PolarHBondContact N-SG 2.95Å; G96-C255 VanDerWaalsContact N-SG 3.41Å; G96-P258 WeakPolarHBondContact O-CA 3.21Å; G96-L259 PolarHBondContact O-N 3.32Å
97V98.9Very high96.7Very high0 Ų037 Ų370%020%0.203CC..EExtended strand (participates in β ladder)trans-147.3144.4176.464.60000110.7R37 L168 F170 L259 A261 V274R37-V97 PolarHBondContact N-O 2.72Å; R37-V97 VanDerWaalsContact N-O 3.08Å; R37-V97 PolarHBondContact O-N 3.19Å; V97-L168 HydrophobicContact CB-CD2 4.09Å; V97-L168 HydrophobicContact CG1-CD1 4.33Å; V97-L168 HydrophobicContact CG1-CD2 4.27Å; V97-L168 HydrophobicContact CG2-CD1 4.3Å; V97-L168 HydrophobicContact CG2-CD2 4.1Å; V97-F170 HydrophobicContact CB-CZ 4.15Å; V97-F170 HydrophobicContact CG1-CE2 4.49Å; V97-F170 HydrophobicContact CG1-CZ 3.93Å; V97-L259 CarbonylContact C-O 3.51Å; V97-L259 VanDerWaalsContact CA-O 3.3Å; V97-L259 WeakPolarHBondContact CA-O 3.47Å; V97-L259 HydrophobicContact CB-CB 4.25Å; V97-L259 HydrophobicContact CG2-CB 4.03Å; V97-A261 HydrophobicContact CG2-CB 3.81Å; V97-V274 HydrophobicContact CG1-CB 4.47Å; V97-V274 HydrophobicContact CG1-CG1 3.54Å; V97-V274 HydrophobicContact CG1-CG2 4.01Å
98L98.9Very high96.9Very high0 Ų039.9 Ų39.90%023%0.227CC..EExtended strand (participates in β ladder)trans-110.8123164-56.2177.8000108.6L28 L33 A36 V38 Q67 A70 Y100 L259 A261L28-L98 HydrophobicContact CD2-CD1 4.47Å; L33-L98 HydrophobicContact CD1-CB 4.36Å; A36-L98 HydrophobicContact CB-CD2 3.52Å; V38-L98 HydrophobicContact CG1-CD2 4.48Å; Q67-L98 HydrophobicContact CB-CD2 4.44Å; A70-L98 HydrophobicContact CB-CD1 3.63Å; A70-L98 HydrophobicContact CB-CD2 4.1Å; A70-L98 HydrophobicContact CB-CG 4.04Å; L98-Y100 HydrophobicContact CB-CD2 4.1Å; L98-Y100 HydrophobicContact CB-CE2 3.45Å; L98-Y100 VanDerWaalsContact CB-CE2 3.45Å; L98-Y100 HydrophobicContact CD1-CE2 3.93Å; L98-Y100 HydrophobicContact CG-CE2 4.34Å; L98-L259 PolarHBondContact N-O 3.44Å; L98-A261 PolarHBondContact O-N 3.47Å
99C98.7Very high97.3Very high0 Ų039 Ų390%023%0.225CC..EExtended strand (participates in β ladder)trans-106.3113.2179.7-58.80000109.6L34 V35 A261 I263L34-C99 HydrophobicContact CB-CB 4.44Å; L34-C99 PolarHBondContact N-O 3.01Å; V35-C99 HydrophobicContact CB-CB 4.1Å; V35-C99 PolarHBondContact N-O 3.18Å; V35-C99 WeakPolarHBondContact O-CB 3.23Å; V35-C99 PolarHBondContact O-N 3.37Å; C99-A261 CarbonylContact C-O 3.5Å; C99-A261 WeakPolarHBondContact CA-O 3.43Å; C99-A261 HydrophobicContact CB-CB 4.35Å; C99-I263 HydrophobicContact CB-CG1 4.3Å
100Y98.6Very high97.7Very high0 Ų032.4 Ų32.40%020%0.196CC..EExtended strand (participates in β ladder)trans-109.9139.1-179.3-71.9-85.7000111.4L28 H31 K32 L33 Q67 L98 A261 I263L28-Y100 HydrophobicContact CD1-CD2 4.15Å; L28-Y100 HydrophobicContact CD1-CE2 4.02Å; L28-Y100 HydrophobicContact CD2-CD2 4.22Å; L28-Y100 HydrophobicContact CD2-CE1 4.21Å; L28-Y100 HydrophobicContact CD2-CE2 3.33Å; L28-Y100 WeakPolarHBondContact CD2-OH 3.27Å; L28-Y100 HydrophobicContact CG-CD2 4.04Å; L28-Y100 HydrophobicContact CG-CE1 4.22Å; L28-Y100 HydrophobicContact CG-CE2 3.62Å; L28-Y100 HydrophobicContact CG-CG 4.49Å; L28-Y100 WeakPolarHBondContact O-CE1 3.43Å; H31-Y100 HydrophobicContact CB-CD1 3.71Å; H31-Y100 HydrophobicContact CB-CG 4.33Å; H31-Y100 WeakPolarHBondContact O-CD1 3.49Å; K32-Y100 WeakPolarHBondContact O-CA 3.22Å; L33-Y100 HydrophobicContact CB-CE1 4.25Å; L33-Y100 HydrophobicContact CD1-CD1 4.13Å; L33-Y100 HydrophobicContact CD1-CD2 4.38Å; L33-Y100 HydrophobicContact CD1-CE1 3.73Å; L33-Y100 HydrophobicContact CD1-CE2 3.96Å; L33-Y100 HydrophobicContact CD1-CG 4.46Å; Q67-Y100 WeakPolarHBondContact CG-OH 3.09Å; Q67-Y100 PolarHBondContact NE2-OH 3.24Å; L98-Y100 HydrophobicContact CB-CD2 4.1Å; L98-Y100 HydrophobicContact CB-CE2 3.45Å; L98-Y100 VanDerWaalsContact CB-CE2 3.45Å; L98-Y100 HydrophobicContact CD1-CE2 3.93Å; L98-Y100 HydrophobicContact CG-CE2 4.34Å; Y100-A261 PolarHBondContact N-O 2.94Å; Y100-I263 PolarHBondContact O-N 3.21Å
101Q98.5Very high98Very high60 Ų6031.9 Ų31.928%0.2819%0.19SC..EExtended strand (participates in β ladder)trans-75.3130.8168.7-165.7-177.9-77.800109.9K32 L34 I263K32-Q101 HydrophobicContact CB-CB 4.18Å; K32-Q101 PolarHBondContact O-N 2.83Å; L34-Q101 HydrophobicContact CD1-CB 4Å; L34-Q101 HydrophobicContact CD2-CB 4.14Å; L34-Q101 HydrophobicContact CG-CB 4.05Å; Q101-I263 WeakPolarHBondContact CA-O 3.28Å
102V98.4Very high98.2Very high3 Ų333.4 Ų33.42%0.01820%0.198CC..EExtended strand (participates in β ladder)trans-134169.1176.2-61.30000110.3Q107 L110 L262 I263 N264 R265V102-Q107 HydrophobicContact CB-CB 4.27Å; V102-Q107 HydrophobicContact CG2-CB 3.78Å; V102-Q107 HydrophobicContact CG2-CG 4.28Å; V102-L110 HydrophobicContact CG1-CD1 3.74Å; V102-L262 HydrophobicContact CG1-CB 4.28Å; V102-L262 HydrophobicContact CG1-CD2 4.07Å; V102-L262 HydrophobicContact CG2-CB 3.91Å; V102-I263 PolarHBondContact N-O 3.46Å; V102-N264 HydrophobicContact CG2-CB 4.04Å; V102-N264 WeakPolarHBondContact O-CA 3.3Å; V102-R265 WeakPolarHBondContact O-CG 3.31Å; V102-R265 PolarHBondContact O-N 3.07Å
103D97.9Very high98.4Very high37 Ų3733 Ų3320%0.19819%0.194CC..  trans-114.3179.6161.853.536.9000110.3L105 S106 Q107 N264 R265 D266D103-L105 VanDerWaalsContact C-N 3.28Å; D103-L105 PolarHBondContact O-N 3.1Å; D103-L105 PolarHBondContact OD1-N 3.48Å; D103-S106 VanDerWaalsContact CG-OG 3.31Å; D103-S106 PolarHBondContact N-OG 3.21Å; D103-S106 PolarHBondContact O-N 3.08Å; D103-S106 PolarHBondContact O-OG 3.14Å; D103-S106 WeakPolarHBondContact OD1-CB 3.04Å; D103-S106 PolarHBondContact OD1-N 2.82Å; D103-S106 PolarHBondContact OD1-OG 3.42Å; D103-Q107 WeakPolarHBondContact O-CB 3.46Å; D103-Q107 PolarHBondContact O-N 3.1Å; D103-N264 WeakPolarHBondContact CA-OD1 3.34Å; D103-R265 HydrophobicContact CB-CG 4.44Å; D103-R265 IonicContact OD2-CZ 3.36Å; D103-R265 IonicContact OD2-NH2 2.88Å; D103-R265 PolarHBondContact OD2-NH2 2.68Å; D103-D266 WeakPolarHBondContact CB-OD2 3.38Å
104N98.1Very high98.5Very high86 Ų8630.9 Ų30.946%0.4619%0.186SC..Hα-helixtrans-54.9-40.6-179.8-73.3-33000113.7A108 N264 D266N104-A108 WeakPolarHBondContact O-CB 3.32Å; N104-A108 PolarHBondContact O-N 2.85Å; N104-A108 VanDerWaalsContact O-N 3.14Å; N104-N264 PolarHBondContact OD1-ND2 3.03Å; N104-D266 WeakPolarHBondContact CB-OD2 3.19Å; N104-D266 PolarHBondContact N-OD2 2.95Å; N104-D266 WeakPolarHBondContact ND2-CB 3.43Å; N104-D266 PolarHBondContact ND2-OD2 2.95Å; N104-D266 VanDerWaalsContact ND2-OD2 3.08Å
105L98Very high98.5Very high146 Ų14636.1 Ų36.176%0.76421%0.21SC*.Hα-helixtrans-72.3-52.3-177.4-70.3174.1000111.5D103 Q107 A108 A109D103-L105 VanDerWaalsContact C-N 3.28Å; D103-L105 PolarHBondContact O-N 3.1Å; D103-L105 PolarHBondContact OD1-N 3.48Å; L105-Q107 VanDerWaalsContact C-N 3.32Å; L105-Q107 PolarHBondContact O-N 3.38Å; L105-A108 PolarHBondContact O-N 2.99Å; L105-A109 PolarHBondContact O-N 3.45Å
106S97.6Very high98.5Very high23 Ų2340 Ų4016%0.16123%0.228CC..Hα-helixtrans-64.5-36.5178.350.70000112.1H31 D103 A109 L110H31-S106 VanDerWaalsContact NE2-CB 3.34Å; H31-S106 WeakPolarHBondContact NE2-CB 3.35Å; D103-S106 VanDerWaalsContact CG-OG 3.31Å; D103-S106 PolarHBondContact N-OG 3.21Å; D103-S106 PolarHBondContact O-N 3.08Å; D103-S106 PolarHBondContact O-OG 3.14Å; D103-S106 WeakPolarHBondContact OD1-CB 3.04Å; D103-S106 PolarHBondContact OD1-N 2.82Å; D103-S106 PolarHBondContact OD1-OG 3.42Å; S106-A109 PolarHBondContact O-N 3.36Å; S106-L110 WeakPolarHBondContact O-CB 3.46Å; S106-L110 VanDerWaalsContact O-CG 3.31Å; S106-L110 WeakPolarHBondContact O-CG 3.29Å; S106-L110 PolarHBondContact O-N 3.44Å
107Q98.2Very high98.5Very high31 Ų3140 Ų4015%0.14523%0.228CC..Hα-helixtrans-58.8-51.4172.5-176171.1-101.300110.9V102 D103 L105 A109 L110 V111 L262 N264V102-Q107 HydrophobicContact CB-CB 4.27Å; V102-Q107 HydrophobicContact CG2-CB 3.78Å; V102-Q107 HydrophobicContact CG2-CG 4.28Å; D103-Q107 WeakPolarHBondContact O-CB 3.46Å; D103-Q107 PolarHBondContact O-N 3.1Å; L105-Q107 VanDerWaalsContact C-N 3.32Å; L105-Q107 PolarHBondContact O-N 3.38Å; Q107-A109 VanDerWaalsContact C-N 3.31Å; Q107-A109 PolarHBondContact O-N 3.06Å; Q107-L110 PolarHBondContact O-N 3.31Å; Q107-V111 HydrophobicContact CG-CG2 4.21Å; Q107-V111 WeakPolarHBondContact O-CB 3.39Å; Q107-V111 WeakPolarHBondContact O-CG2 3.47Å; Q107-V111 PolarHBondContact O-N 2.97Å; Q107-L262 HydrophobicContact CG-CD1 4.22Å; Q107-N264 PolarHBondContact NE2-ND2 3.24Å
108A98.4Very high98.5Very high62 Ų6241.4 Ų41.451%0.51224%0.236SC..Hα-helixtrans-59.9-42.4179.600000111.8N104 L105 S112N104-A108 WeakPolarHBondContact O-CB 3.32Å; N104-A108 PolarHBondContact O-N 2.85Å; N104-A108 VanDerWaalsContact O-N 3.14Å; L105-A108 PolarHBondContact O-N 2.99Å; A108-S112 WeakPolarHBondContact O-CB 3.42Å; A108-S112 PolarHBondContact O-N 2.89Å
109A98.2Very high98.5Very high63 Ų6348.3 Ų48.352%0.52127%0.266SS..Hα-helixtrans-63.1-50.5177.900000112.4L105 S106 Q107 V111 S112 H113L105-A109 PolarHBondContact O-N 3.45Å; S106-A109 PolarHBondContact O-N 3.36Å; Q107-A109 VanDerWaalsContact C-N 3.31Å; Q107-A109 PolarHBondContact O-N 3.06Å; A109-V111 VanDerWaalsContact C-N 3.32Å; A109-V111 PolarHBondContact O-N 2.85Å; A109-S112 PolarHBondContact O-N 2.89Å; A109-H113 WeakPolarHBondContact O-CB 3.32Å; A109-H113 PolarHBondContact O-N 3.4Å
110L98.3Very high98.5Very high7 Ų748.9 Ų48.94%0.03727%0.269CS..Hα-helixtrans-62.7-39.6179.4-72.6170.3000111.9F24 V102 S106 Q107 H113 I114 L262F24-L110 HydrophobicContact CD2-CD2 4.45Å; F24-L110 HydrophobicContact CE2-CD2 3.98Å; V102-L110 HydrophobicContact CG1-CD1 3.74Å; S106-L110 WeakPolarHBondContact O-CB 3.46Å; S106-L110 VanDerWaalsContact O-CG 3.31Å; S106-L110 WeakPolarHBondContact O-CG 3.29Å; S106-L110 PolarHBondContact O-N 3.44Å; Q107-L110 PolarHBondContact O-N 3.31Å; L110-H113 PolarHBondContact O-N 3.32Å; L110-I114 WeakPolarHBondContact O-CB 3.36Å; L110-I114 VanDerWaalsContact O-CG1 3.29Å; L110-I114 WeakPolarHBondContact O-CG1 3.29Å; L110-I114 PolarHBondContact O-N 3.34Å; L110-L262 HydrophobicContact CB-CD1 4.04Å; L110-L262 HydrophobicContact CD1-CD1 4.42Å; L110-L262 HydrophobicContact CD1-CD2 3.95Å
111V98.6Very high98.5Very high19 Ų1949.1 Ų49.112%0.11527%0.27CS..Hα-helixtrans-66.3-45.2178.4172.60000111Q107 A109 H113 I114 Q115 V161 H163 L262Q107-V111 HydrophobicContact CG-CG2 4.21Å; Q107-V111 WeakPolarHBondContact O-CB 3.39Å; Q107-V111 WeakPolarHBondContact O-CG2 3.47Å; Q107-V111 PolarHBondContact O-N 2.97Å; A109-V111 VanDerWaalsContact C-N 3.32Å; A109-V111 PolarHBondContact O-N 2.85Å; V111-H113 VanDerWaalsContact C-N 3.27Å; V111-H113 PolarHBondContact O-N 3.43Å; V111-I114 PolarHBondContact O-N 2.97Å; V111-Q115 HydrophobicContact CG1-CG 4.44Å; V111-Q115 WeakPolarHBondContact O-CB 3.49Å; V111-Q115 VanDerWaalsContact O-CG 3.27Å; V111-Q115 WeakPolarHBondContact O-CG 3.22Å; V111-Q115 PolarHBondContact O-N 3.33Å; V111-V161 HydrophobicContact CG2-CG2 4.43Å; V111-H163 VanDerWaalsContact CG2-CE1 3.46Å; V111-H163 WeakPolarHBondContact CG2-CE1 3.36Å; V111-L262 HydrophobicContact CG2-CD1 3.84Å
112S98.6Very high98.5Very high74 Ų7450.3 Ų50.352%0.51728%0.281SS..Hα-helixtrans-57.7-43174.2-175.40000111.1A108 A109 Q115 H116A108-S112 WeakPolarHBondContact O-CB 3.42Å; A108-S112 PolarHBondContact O-N 2.89Å; A109-S112 PolarHBondContact O-N 2.89Å; S112-Q115 PolarHBondContact O-N 3.41Å; S112-H116 WeakPolarHBondContact O-CB 3.46Å; S112-H116 PolarHBondContact O-N 2.95Å
113H98.6Very high98.5Very high25 Ų2552.2 Ų52.212%0.11629%0.293CS..Hα-helixtrans-65-45.5178.3-158173.6000112.5E20 F24 H27 A109 L110 V111 Q115 H116 I117E20-H113 IonicContact OE2-CD2 3.78Å; E20-H113 IonicContact OE2-CE1 3.84Å; E20-H113 IonicContact OE2-NE2 3.77Å; E20-H113 PolarHBondContact OE2-NE2 2.96Å; F24-H113 HydrophobicContact CD2-CB 4.19Å; F24-H113 AromaticContact CD2-CG 3.94Å; F24-H113 AromaticContact CD2-ND1 3.73Å; F24-H113 PolarHBondContact N-CE1 2.94Å; H27-H113 AromaticContact ND1-CE1 3.96Å; H27-H113 AromaticContact ND1-ND1 3.82Å; A109-H113 WeakPolarHBondContact O-CB 3.32Å; A109-H113 PolarHBondContact O-N 3.4Å; L110-H113 PolarHBondContact O-N 3.32Å; V111-H113 VanDerWaalsContact C-N 3.27Å; V111-H113 PolarHBondContact O-N 3.43Å; H113-Q115 VanDerWaalsContact C-N 3.34Å; H113-Q115 PolarHBondContact O-N 3.01Å; H113-H116 WeakPolarHBondContact O-CB 3.04Å; H113-H116 PolarHBondContact O-N 3.44Å; H113-I117 WeakPolarHBondContact O-CG1 3.29Å; H113-I117 PolarHBondContact O-N 3.03Å
114I98.7Very high98.5Very high2 Ų250.5 Ų50.51%0.0128%0.284CS..Hα-helixtrans-59.8-44.5174.9-72.5170.9000111F24 L110 V111 H116 I117 N118 L159 V161 I260F24-I114 HydrophobicContact CD2-CG1 4.35Å; F24-I114 HydrophobicContact CE1-CG1 4.4Å; F24-I114 HydrophobicContact CE2-CD1 3.95Å; F24-I114 HydrophobicContact CE2-CG1 3.48Å; F24-I114 VanDerWaalsContact CE2-CG1 3.48Å; F24-I114 HydrophobicContact CZ-CD1 3.73Å; F24-I114 HydrophobicContact CZ-CG1 3.5Å; F24-I114 VanDerWaalsContact CZ-CG1 3.5Å; L110-I114 WeakPolarHBondContact O-CB 3.36Å; L110-I114 VanDerWaalsContact O-CG1 3.29Å; L110-I114 WeakPolarHBondContact O-CG1 3.29Å; L110-I114 PolarHBondContact O-N 3.34Å; V111-I114 PolarHBondContact O-N 2.97Å; I114-H116 VanDerWaalsContact C-N 3.34Å; I114-H116 PolarHBondContact O-N 3.43Å; I114-I117 PolarHBondContact O-N 3.06Å; I114-N118 WeakPolarHBondContact O-CB 3.48Å; I114-N118 PolarHBondContact O-N 3.33Å; I114-N118 PolarHBondContact O-ND2 3.19Å; I114-L159 HydrophobicContact CG2-CB 4.02Å; I114-V161 HydrophobicContact CD1-CB 3.84Å; I114-V161 HydrophobicContact CD1-CG2 3.92Å; I114-V161 HydrophobicContact CG2-CB 4.37Å; I114-V161 HydrophobicContact CG2-CG1 4.42Å; I114-I260 HydrophobicContact CD1-CD1 4.3Å; I114-I260 HydrophobicContact CD1-CG2 4.34Å
115Q98.7Very high98.5Very high121 Ų12150.2 Ų50.257%0.56528%0.28SS*.Hα-helixtrans-63.4-40177.4-73.9174.6-5.500111.6V111 S112 H113 N118 K119V111-Q115 HydrophobicContact CG1-CG 4.44Å; V111-Q115 WeakPolarHBondContact O-CB 3.49Å; V111-Q115 VanDerWaalsContact O-CG 3.27Å; V111-Q115 WeakPolarHBondContact O-CG 3.22Å; V111-Q115 PolarHBondContact O-N 3.33Å; S112-Q115 PolarHBondContact O-N 3.41Å; H113-Q115 VanDerWaalsContact C-N 3.34Å; H113-Q115 PolarHBondContact O-N 3.01Å; Q115-N118 PolarHBondContact O-N 3.1Å; Q115-K119 WeakPolarHBondContact O-CB 3.37Å; Q115-K119 PolarHBondContact O-N 3.47Å
116H98.8Very high98.5Very high80 Ų8047.3 Ų47.337%0.3726%0.262SS..Hα-helixtrans-61.5-48.5175.4-176.962.8000111.9S112 H113 I114 N118 K119 L120S112-H116 WeakPolarHBondContact O-CB 3.46Å; S112-H116 PolarHBondContact O-N 2.95Å; H113-H116 WeakPolarHBondContact O-CB 3.04Å; H113-H116 PolarHBondContact O-N 3.44Å; I114-H116 VanDerWaalsContact C-N 3.34Å; I114-H116 PolarHBondContact O-N 3.43Å; H116-N118 PolarHBondContact O-N 2.87Å; H116-K119 WeakPolarHBondContact O-CB 3.49Å; H116-K119 PolarHBondContact O-N 3.13Å; H116-K119 VanDerWaalsContact O-N 3.17Å; H116-L120 PolarHBondContact O-N 3.08Å
117I98.8Very high98.5Very high0 Ų046.2 Ų46.20%025%0.254CS..Hα-helixtrans-58.8-47.2175.5-68.4167000110.7E20 L21 F24 H113 I114 K119 L120 K121 L159E20-I117 HydrophobicContact CB-CD1 4.31Å; E20-I117 HydrophobicContact CB-CG1 3.79Å; L21-I117 HydrophobicContact CD2-CD1 4.33Å; L21-I117 HydrophobicContact CD2-CG2 3.98Å; L21-I117 HydrophobicContact CG-CG2 4.13Å; F24-I117 HydrophobicContact CB-CD1 3.63Å; F24-I117 HydrophobicContact CD1-CD1 4.29Å; F24-I117 HydrophobicContact CD2-CD1 4.49Å; F24-I117 HydrophobicContact CG-CD1 3.88Å; H113-I117 WeakPolarHBondContact O-CG1 3.29Å; H113-I117 PolarHBondContact O-N 3.03Å; I114-I117 PolarHBondContact O-N 3.06Å; I117-K119 VanDerWaalsContact C-N 3.27Å; I117-K119 PolarHBondContact O-N 3.42Å; I117-L120 WeakPolarHBondContact O-CB 3.2Å; I117-L120 PolarHBondContact O-N 3.11Å; I117-K121 HydrophobicContact CG2-CD 4.2Å; I117-K121 WeakPolarHBondContact O-CG 3.34Å; I117-K121 PolarHBondContact O-N 3.24Å; I117-L159 HydrophobicContact CB-CD1 4.38Å; I117-L159 HydrophobicContact CD1-CD1 3.95Å; I117-L159 HydrophobicContact CG2-CD1 3.96Å; I117-L159 HydrophobicContact CG2-CG 4.46Å
118N98.8Very high98.5Very high30 Ų3044.9 Ų44.916%0.1625%0.248CC..Hα-helixtrans-64.8-31178.9-74-21.9000113I114 Q115 H116 K121 T122 T158 L159I114-N118 WeakPolarHBondContact O-CB 3.48Å; I114-N118 PolarHBondContact O-N 3.33Å; I114-N118 PolarHBondContact O-ND2 3.19Å; Q115-N118 PolarHBondContact O-N 3.1Å; H116-N118 PolarHBondContact O-N 2.87Å; N118-K121 PolarHBondContact O-N 3.39Å; N118-T122 WeakPolarHBondContact O-CB 3.33Å; N118-T122 PolarHBondContact O-N 3.41Å; N118-T122 PolarHBondContact O-OG1 2.81Å; N118-T158 HydrophobicContact CB-CG2 4.32Å; N118-T158 VanDerWaalsContact OD1-CA 3.26Å; N118-T158 WeakPolarHBondContact OD1-CA 3.47Å; N118-T158 VanDerWaalsContact OD1-CB 3.25Å; N118-T158 WeakPolarHBondContact OD1-CB 3.44Å; N118-L159 PolarHBondContact ND2-O 2.84Å; N118-L159 PolarHBondContact OD1-N 2.82Å
119K98.8Very high98.4Very high145 Ų14543.8 Ų43.863%0.6324%0.236SC*.Hα-helixtrans-66-46.8171.8-175.7177179.9179.80110.6Q115 H116 I117 K121 T122 T123Q115-K119 WeakPolarHBondContact O-CB 3.37Å; Q115-K119 PolarHBondContact O-N 3.47Å; H116-K119 WeakPolarHBondContact O-CB 3.49Å; H116-K119 PolarHBondContact O-N 3.13Å; H116-K119 VanDerWaalsContact O-N 3.17Å; I117-K119 VanDerWaalsContact C-N 3.27Å; I117-K119 PolarHBondContact O-N 3.42Å; K119-K121 VanDerWaalsContact C-N 3.31Å; K119-K121 PolarHBondContact O-N 3.44Å; K119-T122 PolarHBondContact O-N 3.04Å; K119-T123 WeakPolarHBondContact O-CB 3.42Å; K119-T123 PolarHBondContact O-N 2.64Å; K119-T123 PolarHBondContact O-OG1 2.87Å
120L98.8Very high98.4Very high13 Ų1344.7 Ų44.77%0.06824%0.235CC..Hα-helixtrans-59.1-42.3175-68.5168.6000111.9T13 Q16 M17 E20 H116 I117 T123 F124T13-L120 HydrophobicContact CG2-CB 4.41Å; T13-L120 HydrophobicContact CG2-CD2 4.1Å; T13-L120 WeakPolarHBondContact CG2-O 3.27Å; Q16-L120 HydrophobicContact CB-CD1 4.09Å; Q16-L120 HydrophobicContact CB-CD2 4.27Å; M17-L120 HydrophobicContact CB-CB 4.06Å; M17-L120 HydrophobicContact CB-CD1 4.34Å; E20-L120 HydrophobicContact CG-CD1 4.14Å; H116-L120 PolarHBondContact O-N 3.08Å; I117-L120 WeakPolarHBondContact O-CB 3.2Å; I117-L120 PolarHBondContact O-N 3.11Å; L120-T123 PolarHBondContact O-N 2.51Å; L120-F124 WeakPolarHBondContact O-CB 3.49Å; L120-F124 PolarHBondContact O-N 3.21Å
121K98.8Very high98.3Very high4 Ų446.6 Ų46.62%0.01724%0.243CC..Hα-helixtrans-58.6-48.3174.8-69.7178.2165.4-75.90112.3M17 I117 N118 K119 F124 E125 N154 A155 R157M17-K121 HydrophobicContact CG-CG 4.11Å; M17-K121 HydrophobicContact SD-CD 4.45Å; M17-K121 HydrophobicContact SD-CG 3.49Å; M17-K121 WeakPolarHBondContact SD-CG 3.31Å; I117-K121 HydrophobicContact CG2-CD 4.2Å; I117-K121 WeakPolarHBondContact O-CG 3.34Å; I117-K121 PolarHBondContact O-N 3.24Å; N118-K121 PolarHBondContact O-N 3.39Å; K119-K121 VanDerWaalsContact C-N 3.31Å; K119-K121 PolarHBondContact O-N 3.44Å; K121-F124 PolarHBondContact O-N 2.8Å; K121-E125 PolarHBondContact O-N 3.02Å; K121-N154 PolarHBondContact NZ-O 3.49Å; K121-A155 VanDerWaalsContact CG-O 3.25Å; K121-A155 WeakPolarHBondContact CG-O 3.24Å; K121-A155 PolarHBondContact NZ-O 3.46Å; K121-R157 WeakPolarHBondContact CD-O 3.25Å; K121-R157 WeakPolarHBondContact CE-O 3.4Å; K121-R157 PolarHBondContact NZ-O 3.25Å
122T98.7Very high98.1Very high85 Ų8546.6 Ų46.652%0.52124%0.244SC..Hα-helixtrans-62.3-44.6177.1-55.90000111.3N118 K119 F124 E125 H126N118-T122 WeakPolarHBondContact O-CB 3.33Å; N118-T122 PolarHBondContact O-N 3.41Å; N118-T122 PolarHBondContact O-OG1 2.81Å; K119-T122 PolarHBondContact O-N 3.04Å; T122-F124 PolarHBondContact O-N 3.49Å; T122-E125 PolarHBondContact O-N 2.82Å; T122-H126 WeakPolarHBondContact O-CB 3.42Å; T122-H126 PolarHBondContact O-N 3.25Å
123T98.6Very high98Very high44 Ų4451.7 Ų51.727%0.2726%0.26SS..Hα-helixtrans-61.5-44.2176.5-610000111.3T13 K119 L120 E125 H126 I127T13-T123 HydrophobicContact CG2-CG2 4.06Å; K119-T123 WeakPolarHBondContact O-CB 3.42Å; K119-T123 PolarHBondContact O-N 2.64Å; K119-T123 PolarHBondContact O-OG1 2.87Å; L120-T123 PolarHBondContact O-N 2.51Å; T123-E125 PolarHBondContact O-N 3.47Å; T123-H126 WeakPolarHBondContact O-CB 3.09Å; T123-H126 PolarHBondContact O-N 2.96Å; T123-I127 HydrophobicContact CG2-CD1 4.04Å; T123-I127 HydrophobicContact CG2-CG1 4.5Å; T123-I127 WeakPolarHBondContact O-CG1 3.4Å; T123-I127 PolarHBondContact O-N 2.88Å
124F98.5Very high97.8Very high0 Ų052.7 Ų52.70%027%0.266CS..Hα-helixtrans-61.9-43.4177.6-179.2-103.7000111.8L10 T13 F14 L120 K121 T122 I127 V128 L147 L150 A155 Y156L10-F124 HydrophobicContact CD1-CD2 3.85Å; L10-F124 HydrophobicContact CD1-CE2 3.29Å; L10-F124 HydrophobicContact CD1-CZ 3.99Å; L10-F124 HydrophobicContact CG-CE2 3.92Å; T13-F124 HydrophobicContact CG2-CB 3.95Å; F14-F124 HydrophobicContact CB-CD2 4.04Å; F14-F124 HydrophobicContact CB-CE2 3.83Å; F14-F124 HydrophobicContact CD2-CE1 4.45Å; F14-F124 HydrophobicContact CD2-CE2 4.07Å; F14-F124 HydrophobicContact CD2-CZ 4.06Å; F14-F124 HydrophobicContact CG-CE2 4.34Å; L120-F124 WeakPolarHBondContact O-CB 3.49Å; L120-F124 PolarHBondContact O-N 3.21Å; K121-F124 PolarHBondContact O-N 2.8Å; T122-F124 PolarHBondContact O-N 3.49Å; F124-I127 PolarHBondContact O-N 2.98Å; F124-V128 HydrophobicContact CE1-CG2 4.34Å; F124-V128 HydrophobicContact CZ-CG2 4.22Å; F124-V128 WeakPolarHBondContact O-CG2 3.28Å; F124-V128 PolarHBondContact O-N 3.36Å; F124-L147 HydrophobicContact CE2-CD1 3.77Å; F124-L147 HydrophobicContact CZ-CD1 3.83Å; F124-L150 HydrophobicContact CE1-CD2 3.88Å; F124-L150 HydrophobicContact CZ-CD2 3.57Å; F124-A155 HydrophobicContact CD1-CB 4.04Å; F124-A155 HydrophobicContact CE1-CB 3.85Å; F124-Y156 AromaticContact CD1-CD1 3.92Å; F124-Y156 HydrophobicContact CD1-CD1 3.92Å; F124-Y156 AromaticContact CD1-CE1 3.49Å; F124-Y156 HydrophobicContact CD1-CE1 3.49Å; F124-Y156 VanDerWaalsContact CD1-CE1 3.49Å; F124-Y156 HydrophobicContact CE1-CD1 4.33Å; F124-Y156 AromaticContact CE1-CE1 3.68Å; F124-Y156 HydrophobicContact CE1-CE1 3.68Å
125E98.3Very high97.5Very high81 Ų8156.6 Ų56.638%0.37929%0.291SS..Hα-helixtrans-60.5-43.8172.8-176.7171.1-168.900112K121 T122 T123 I127 V128 T129 Y156K121-E125 PolarHBondContact O-N 3.02Å; T122-E125 PolarHBondContact O-N 2.82Å; T123-E125 PolarHBondContact O-N 3.47Å; E125-I127 PolarHBondContact O-N 3.42Å; E125-V128 PolarHBondContact O-N 2.99Å; E125-T129 HydrophobicContact CG-CG2 4.07Å; E125-T129 WeakPolarHBondContact O-CB 3.49Å; E125-T129 WeakPolarHBondContact O-CG2 3.47Å; E125-T129 PolarHBondContact O-N 3.43Å; E125-T129 PolarHBondContact O-OG1 3.03Å; E125-Y156 VanDerWaalsContact CA-CE1 3.5Å; E125-Y156 HydrophobicContact CB-CD1 3.72Å; E125-Y156 HydrophobicContact CB-CD2 4.42Å; E125-Y156 HydrophobicContact CB-CE1 3.7Å; E125-Y156 HydrophobicContact CB-CE2 4.39Å; E125-Y156 HydrophobicContact CB-CG 4.11Å; E125-Y156 HydrophobicContact CG-CD1 4.24Å; E125-Y156 HydrophobicContact CG-CD2 4.03Å; E125-Y156 HydrophobicContact CG-CE1 4.12Å; E125-Y156 HydrophobicContact CG-CE2 3.9Å; E125-Y156 HydrophobicContact CG-CG 4.21Å
126H98.2Very high97.3Very high84 Ų8456 Ų5639%0.38930%0.296SS..Hα-helixtrans-61.3-43.7178.1-173.7-98000112.1T122 T123 V128 T129 V130 E131T122-H126 WeakPolarHBondContact O-CB 3.42Å; T122-H126 PolarHBondContact O-N 3.25Å; T123-H126 WeakPolarHBondContact O-CB 3.09Å; T123-H126 PolarHBondContact O-N 2.96Å; H126-V128 VanDerWaalsContact C-N 3.33Å; H126-V128 PolarHBondContact O-N 3.23Å; H126-T129 PolarHBondContact O-N 2.94Å; H126-V130 WeakPolarHBondContact O-CA 3.23Å; H126-V130 WeakPolarHBondContact O-CB 3.32Å; H126-V130 PolarHBondContact O-N 2.9Å; H126-E131 IonicContact CE1-OE1 3.51Å; H126-E131 IonicContact CG-OE1 3.82Å; H126-E131 WeakPolarHBondContact ND1-CG 3.48Å; H126-E131 IonicContact ND1-OE1 2.93Å; H126-E131 PolarHBondContact ND1-OE1 2.89Å; H126-E131 PolarHBondContact O-N 3.38Å; H126-E131 VanDerWaalsContact O-N 3.07Å
127I97.8Very high97Very high0 Ų056.9 Ų56.90%032%0.317CS..Iπ-helixtrans-57-48.2175.2-68.8164.8000110.5L6 R9 L10 T123 F124 E125 S132 W142L6-I127 HydrophobicContact CD2-CG2 3.86Å; L6-I127 HydrophobicContact CG-CG2 4.29Å; R9-I127 HydrophobicContact CB-CD1 4.12Å; L10-I127 HydrophobicContact CB-CG2 4.11Å; L10-I127 HydrophobicContact CD1-CG2 3.85Å; T123-I127 HydrophobicContact CG2-CD1 4.04Å; T123-I127 HydrophobicContact CG2-CG1 4.5Å; T123-I127 WeakPolarHBondContact O-CG1 3.4Å; T123-I127 PolarHBondContact O-N 2.88Å; F124-I127 PolarHBondContact O-N 2.98Å; E125-I127 PolarHBondContact O-N 3.42Å; I127-S132 WeakPolarHBondContact O-CB 3.2Å; I127-S132 PolarHBondContact O-N 3.07Å; I127-W142 HydrophobicContact CG2-CH2 4.17Å
128V97.4Very high96.8Very high3 Ų358.4 Ų58.42%0.01833%0.33CS..Iπ-helixtrans-70.5-42.5-177176.30000112.3L10 F124 E125 H126 S132 R139 W142 V143 Y156L10-V128 HydrophobicContact CD1-CG2 3.65Å; F124-V128 HydrophobicContact CE1-CG2 4.34Å; F124-V128 HydrophobicContact CZ-CG2 4.22Å; F124-V128 WeakPolarHBondContact O-CG2 3.28Å; F124-V128 PolarHBondContact O-N 3.36Å; E125-V128 PolarHBondContact O-N 2.99Å; H126-V128 VanDerWaalsContact C-N 3.33Å; H126-V128 PolarHBondContact O-N 3.23Å; V128-S132 PolarHBondContact O-OG 2.7Å; V128-R139 HydrophobicContact CG1-CB 4.24Å; V128-R139 HydrophobicContact CG1-CG 4.47Å; V128-W142 HydrophobicContact CG2-CZ3 4.15Å; V128-V143 HydrophobicContact CB-CG2 4.38Å; V128-V143 HydrophobicContact CG1-CG2 3.66Å; V128-V143 HydrophobicContact CG2-CG2 3.74Å; V128-Y156 VanDerWaalsContact CB-OH 3.31Å; V128-Y156 WeakPolarHBondContact CB-OH 3.48Å; V128-Y156 VanDerWaalsContact CG1-OH 3.3Å; V128-Y156 WeakPolarHBondContact CG1-OH 3.17Å
129T96.9Very high96.7Very high40 Ų4060 Ų6025%0.24533%0.334CS..Iπ-helixtrans-96.6-18.3-166.962.50000114.6E125 H126 R139E125-T129 HydrophobicContact CG-CG2 4.07Å; E125-T129 WeakPolarHBondContact O-CB 3.49Å; E125-T129 WeakPolarHBondContact O-CG2 3.47Å; E125-T129 PolarHBondContact O-N 3.43Å; E125-T129 PolarHBondContact O-OG1 3.03Å; H126-T129 PolarHBondContact O-N 2.94Å; T129-R139 PolarHBondContact O-NH2 3.5Å
130V96.8Very high96.5Very high82 Ų8259.6 Ų59.650%0.49733%0.332SS..Iπ-helixtrans-123.9-63.8-177.8-175.20000110.4H126 S132 E133H126-V130 WeakPolarHBondContact O-CA 3.23Å; H126-V130 WeakPolarHBondContact O-CB 3.32Å; H126-V130 PolarHBondContact O-N 2.9Å; V130-S132 VanDerWaalsContact C-N 3.28Å; V130-S132 PolarHBondContact O-N 2.88Å; V130-E133 PolarHBondContact O-N 2.94Å
131E96.6Very high96.4Very high47 Ų4764.7 Ų64.722%0.2236%0.356CS..Iπ-helixtrans-66.2-29.7-169.6-54.6179.6-150.700113L6 R9 H126 E133L6-E131 HydrophobicContact CD1-CB 3.92Å; L6-E131 WeakPolarHBondContact CD1-O 3.41Å; R9-E131 IonicContact CZ-OE1 3.86Å; R9-E131 IonicContact CZ-OE2 3.07Å; R9-E131 IonicContact NH1-OE1 3.94Å; R9-E131 IonicContact NH1-OE2 2.68Å; R9-E131 PolarHBondContact NH1-OE2 3.44Å; R9-E131 IonicContact NH2-OE1 2.95Å; R9-E131 PolarHBondContact NH2-OE1 2.93Å; R9-E131 IonicContact NH2-OE2 2.93Å; R9-E131 PolarHBondContact NH2-OE2 3.4Å; H126-E131 IonicContact CE1-OE1 3.51Å; H126-E131 IonicContact CG-OE1 3.82Å; H126-E131 WeakPolarHBondContact ND1-CG 3.48Å; H126-E131 IonicContact ND1-OE1 2.93Å; H126-E131 PolarHBondContact ND1-OE1 2.89Å; H126-E131 PolarHBondContact O-N 3.38Å; H126-E131 VanDerWaalsContact O-N 3.07Å; E131-E133 PolarHBondContact O-N 2.99Å; E131-E133 VanDerWaalsContact O-N 3.17Å
132S95Very high96.3Very high19 Ų1965.2 Ų65.213%0.13336%0.357CS..THydrogen-bonded Turntrans-64.2-18.2177.273.70000113.2I127 V128 V130 L134I127-S132 WeakPolarHBondContact O-CB 3.2Å; I127-S132 PolarHBondContact O-N 3.07Å; V128-S132 PolarHBondContact O-OG 2.7Å; V130-S132 VanDerWaalsContact C-N 3.28Å; V130-S132 PolarHBondContact O-N 2.88Å; S132-L134 WeakPolarHBondContact O-CG 3.25Å; S132-L134 PolarHBondContact O-N 3.5Å; S132-L134 WeakPolarHBondContact OG-CB 3.44Å; S132-L134 PolarHBondContact OG-N 3.23Å
133E95.5Very high96.2Very high180 Ų18061.2 Ų61.284%0.84133%0.333SS*.  trans54.912-171.6-61.6177-161.900113.5V130 E131V130-E133 PolarHBondContact O-N 2.94Å; E131-E133 PolarHBondContact O-N 2.99Å; E131-E133 VanDerWaalsContact O-N 3.17Å
134L94.5Very high96.1Very high47 Ų4761.1 Ų61.125%0.24633%0.329CS..  trans-79.9137.4-177.5-67176.7000110.6S132 A138 R139 W142S132-L134 WeakPolarHBondContact O-CG 3.25Å; S132-L134 PolarHBondContact O-N 3.5Å; S132-L134 WeakPolarHBondContact OG-CB 3.44Å; S132-L134 PolarHBondContact OG-N 3.23Å; L134-A138 HydrophobicContact CB-CB 4.36Å; L134-A138 HydrophobicContact CD2-CB 4.31Å; L134-R139 HydrophobicContact CB-CG 3.99Å; L134-R139 PolarHBondContact O-NE 2.89Å; L134-R139 PolarHBondContact O-NH2 3.21Å; L134-R139 VanDerWaalsContact O-NH2 3.15Å; L134-W142 HydrophobicContact CD1-CB 3.34Å; L134-W142 HydrophobicContact CD1-CD2 3.72Å; L134-W142 HydrophobicContact CD1-CE3 4.08Å; L134-W142 HydrophobicContact CD1-CG 3.37Å
135P94.1Very high96Very high84 Ų8467.7 Ų67.755%0.54535%0.354SS..  trans-63.7152.1167.829.6-34.8000109.6A137 A138 R139P135-A137 PolarHBondContact O-N 3.36Å; P135-A138 HydrophobicContact CG-CB 4.09Å; P135-A138 PolarHBondContact O-N 2.92Å; P135-R139 PolarHBondContact O-N 3.3Å
136T93.9Very high95.9Very high107 Ų10766.5 Ų66.566%0.65635%0.349SS*.Hα-helixtrans-47.4-36.7-178.7-57.20000113.9A138 R139T136-A138 VanDerWaalsContact C-N 3.3Å; T136-A138 PolarHBondContact O-N 2.84Å; T136-R139 PolarHBondContact O-N 3.45Å
137A91.4Very high95.8Very high99 Ų9963.2 Ų63.282%0.81833%0.334SS*.Hα-helixtrans-66.1-26179.800000114.3P135P135-A137 PolarHBondContact O-N 3.36Å
138A95.5Very high95.8Very high33 Ų3367.1 Ų67.127%0.27336%0.359SS..Hα-helixtrans-98.1-15-17800000113.5L134 P135 T136 F140 W142L134-A138 HydrophobicContact CB-CB 4.36Å; L134-A138 HydrophobicContact CD2-CB 4.31Å; P135-A138 HydrophobicContact CG-CB 4.09Å; P135-A138 PolarHBondContact O-N 2.92Å; T136-A138 VanDerWaalsContact C-N 3.3Å; T136-A138 PolarHBondContact O-N 2.84Å; A138-F140 PolarHBondContact O-N 3.21Å; A138-W142 PolarHBondContact O-N 3.3Å
139R96.2Very high95.7Very high64 Ų6467.3 Ų67.324%0.24236%0.361CS..Hα-helixtrans-62.6-41.2-176-67.6174.5-165.5176.5-7.4112.8V128 T129 L134 P135 T136 W142 V143V128-R139 HydrophobicContact CG1-CB 4.24Å; V128-R139 HydrophobicContact CG1-CG 4.47Å; T129-R139 PolarHBondContact O-NH2 3.5Å; L134-R139 HydrophobicContact CB-CG 3.99Å; L134-R139 PolarHBondContact O-NE 2.89Å; L134-R139 PolarHBondContact O-NH2 3.21Å; L134-R139 VanDerWaalsContact O-NH2 3.15Å; P135-R139 PolarHBondContact O-N 3.3Å; T136-R139 PolarHBondContact O-N 3.45Å; R139-W142 PolarHBondContact O-N 2.85Å; R139-V143 WeakPolarHBondContact O-CB 3.48Å; R139-V143 WeakPolarHBondContact O-CG2 3.27Å; R139-V143 PolarHBondContact O-N 2.75Å
140F94.9Very high95.8Very high135 Ų13565.5 Ų65.559%0.59235%0.35SS*.Hα-helixtrans-58.4-53.7-178.6176.4-92.5000111.1A138 W142 V143 H144A138-F140 PolarHBondContact O-N 3.21Å; F140-W142 VanDerWaalsContact C-N 3.34Å; F140-W142 PolarHBondContact O-N 3.06Å; F140-V143 PolarHBondContact O-N 2.89Å; F140-H144 AromaticContact CD2-CE1 3.42Å; F140-H144 VanDerWaalsContact CD2-CE1 3.42Å; F140-H144 WeakPolarHBondContact CD2-CE1 3.43Å; F140-H144 AromaticContact CD2-ND1 3.64Å; F140-H144 AromaticContact CE2-CE1 3.1Å; F140-H144 WeakPolarHBondContact CE2-CE1 3.43Å; F140-H144 AromaticContact CE2-ND1 3.59Å; F140-H144 AromaticContact CE2-NE2 3.43Å; F140-H144 WeakPolarHBondContact CE2-NE2 3.1Å; F140-H144 AromaticContact CG-ND1 3.96Å; F140-H144 AromaticContact CZ-CD2 3.85Å; F140-H144 AromaticContact CZ-CE1 3.64Å; F140-H144 AromaticContact CZ-CG 3.98Å; F140-H144 AromaticContact CZ-ND1 3.83Å; F140-H144 AromaticContact CZ-NE2 3.63Å; F140-H144 WeakPolarHBondContact O-CB 3.39Å; F140-H144 PolarHBondContact O-N 3.39Å; F140-H144 PolarHBondContact O-ND1 3.38Å
141E96.2Very high95.8Very high121 Ų12162.9 Ų62.957%0.56533%0.333SS*.Hα-helixtrans-62.7-42-178.9-167.1-167.4151.800111.4H144 R145E141-H144 PolarHBondContact O-N 3.22Å; E141-R145 WeakPolarHBondContact O-CB 3.11Å; E141-R145 PolarHBondContact O-N 3.27Å; E141-R145 IonicContact OE1-NH2 2.83Å; E141-R145 PolarHBondContact OE1-NH2 3.03Å
142W96.4Very high95.8Very high14 Ų1462 Ų625%0.05333%0.331CS..Hα-helixtrans-62.8-46.5178.6178.569.5000112.7L6 V7 L10 I127 V128 L134 A138 R139 F140 H144 R145 H146L6-W142 HydrophobicContact CD2-CH2 3.23Å; L6-W142 HydrophobicContact CD2-CZ2 3.23Å; L6-W142 HydrophobicContact CD2-CZ3 4.41Å; V7-W142 HydrophobicContact CG2-CZ2 4.33Å; L10-W142 HydrophobicContact CB-CH2 4.19Å; L10-W142 HydrophobicContact CD1-CH2 3.85Å; L10-W142 HydrophobicContact CD1-CZ3 3.93Å; L10-W142 HydrophobicContact CD2-CH2 3.63Å; L10-W142 HydrophobicContact CD2-CZ2 4.02Å; L10-W142 HydrophobicContact CD2-CZ3 3.97Å; L10-W142 HydrophobicContact CG-CH2 4.09Å; I127-W142 HydrophobicContact CG2-CH2 4.17Å; V128-W142 HydrophobicContact CG2-CZ3 4.15Å; L134-W142 HydrophobicContact CD1-CB 3.34Å; L134-W142 HydrophobicContact CD1-CD2 3.72Å; L134-W142 HydrophobicContact CD1-CE3 4.08Å; L134-W142 HydrophobicContact CD1-CG 3.37Å; A138-W142 PolarHBondContact O-N 3.3Å; R139-W142 PolarHBondContact O-N 2.85Å; F140-W142 VanDerWaalsContact C-N 3.34Å; F140-W142 PolarHBondContact O-N 3.06Å; W142-H144 PolarHBondContact O-N 3.12Å; W142-R145 WeakPolarHBondContact O-CB 3.22Å; W142-R145 PolarHBondContact O-N 3.35Å; W142-H146 AromaticContact CD1-NE2 3.93Å; W142-H146 AromaticContact NE1-CD2 3.7Å; W142-H146 AromaticContact NE1-NE2 3.47Å; W142-H146 PolarHBondContact NE1-NE2 2.78Å; W142-H146 PolarHBondContact O-CD2 3.1Å; W142-H146 VanDerWaalsContact O-CD2 3.22Å
143V97.2Very high95.8Very high2 Ų266.6 Ų66.61%0.01235%0.354CS..Hα-helixtrans-61-46.2175.5169.50000110.7V128 R139 F140 R145 H146 L147 L150V128-V143 HydrophobicContact CB-CG2 4.38Å; V128-V143 HydrophobicContact CG1-CG2 3.66Å; V128-V143 HydrophobicContact CG2-CG2 3.74Å; R139-V143 WeakPolarHBondContact O-CB 3.48Å; R139-V143 WeakPolarHBondContact O-CG2 3.27Å; R139-V143 PolarHBondContact O-N 2.75Å; F140-V143 PolarHBondContact O-N 2.89Å; V143-R145 VanDerWaalsContact C-N 3.27Å; V143-R145 PolarHBondContact O-N 3.37Å; V143-H146 PolarHBondContact O-N 2.96Å; V143-H146 VanDerWaalsContact O-N 3.07Å; V143-L147 PolarHBondContact O-N 3.12Å; V143-L150 HydrophobicContact CG1-CB 4.47Å; V143-L150 HydrophobicContact CG1-CD2 3.76Å
144H96.5Very high95.9Very high42 Ų4258.7 Ų58.719%0.19432%0.317CS..Hα-helixtrans-72.5-19.6-175.7-73.968.4000113.6F140 E141 W142 H146 P148 G149 L150F140-H144 AromaticContact CD2-CE1 3.42Å; F140-H144 VanDerWaalsContact CD2-CE1 3.42Å; F140-H144 WeakPolarHBondContact CD2-CE1 3.43Å; F140-H144 AromaticContact CD2-ND1 3.64Å; F140-H144 AromaticContact CE2-CE1 3.1Å; F140-H144 WeakPolarHBondContact CE2-CE1 3.43Å; F140-H144 AromaticContact CE2-ND1 3.59Å; F140-H144 AromaticContact CE2-NE2 3.43Å; F140-H144 WeakPolarHBondContact CE2-NE2 3.1Å; F140-H144 AromaticContact CG-ND1 3.96Å; F140-H144 AromaticContact CZ-CD2 3.85Å; F140-H144 AromaticContact CZ-CE1 3.64Å; F140-H144 AromaticContact CZ-CG 3.98Å; F140-H144 AromaticContact CZ-ND1 3.83Å; F140-H144 AromaticContact CZ-NE2 3.63Å; F140-H144 WeakPolarHBondContact O-CB 3.39Å; F140-H144 PolarHBondContact O-N 3.39Å; F140-H144 PolarHBondContact O-ND1 3.38Å; E141-H144 PolarHBondContact O-N 3.22Å; W142-H144 PolarHBondContact O-N 3.12Å; H144-H146 PolarHBondContact O-N 3.2Å; H144-P148 VanDerWaalsContact O-CA 3.3Å; H144-P148 WeakPolarHBondContact O-CA 3.33Å; H144-G149 PolarHBondContact CD2-N 2.83Å; H144-L150 PolarHBondContact NE2-O 2.94Å
145R96.6Very high96Very high137 Ų13756.4 Ų56.452%0.51731%0.305SS..Hα-helixtrans-64.5-31.4169-172.8176.3-64.4138.62.9112.2E141 W142 V143E141-R145 WeakPolarHBondContact O-CB 3.11Å; E141-R145 PolarHBondContact O-N 3.27Å; E141-R145 IonicContact OE1-NH2 2.83Å; E141-R145 PolarHBondContact OE1-NH2 3.03Å; W142-R145 WeakPolarHBondContact O-CB 3.22Å; W142-R145 PolarHBondContact O-N 3.35Å; V143-R145 VanDerWaalsContact C-N 3.27Å; V143-R145 PolarHBondContact O-N 3.37Å
146H96.3Very high96.2Very high57 Ų5753.9 Ų53.926%0.26429%0.285SS..Hα-helixtrans-105.4-32.3-176.3-60.6-60.5000113.1L10 W142 V143 H144L10-H146 HydrophobicContact CD2-CB 4.02Å; W142-H146 AromaticContact CD1-NE2 3.93Å; W142-H146 AromaticContact NE1-CD2 3.7Å; W142-H146 AromaticContact NE1-NE2 3.47Å; W142-H146 PolarHBondContact NE1-NE2 2.78Å; W142-H146 PolarHBondContact O-CD2 3.1Å; W142-H146 VanDerWaalsContact O-CD2 3.22Å; V143-H146 PolarHBondContact O-N 2.96Å; V143-H146 VanDerWaalsContact O-N 3.07Å; H144-H146 PolarHBondContact O-N 3.2Å
147L97.2Very high96.3Very high14 Ų1451 Ų517%0.07326%0.262CS..SBendtrans-129.772.1-179.5-62.2171000109.2L10 F14 F124 V143 G149 L150L10-L147 HydrophobicContact CG-CD1 4.43Å; F14-L147 HydrophobicContact CB-CD1 3.9Å; F14-L147 HydrophobicContact CD1-CD1 4.13Å; F14-L147 HydrophobicContact CD1-CD2 3.77Å; F14-L147 HydrophobicContact CD2-CD1 4.03Å; F14-L147 HydrophobicContact CE1-CD2 4.29Å; F14-L147 HydrophobicContact CG-CD1 3.71Å; F14-L147 HydrophobicContact CG-CD2 4.2Å; F124-L147 HydrophobicContact CE2-CD1 3.77Å; F124-L147 HydrophobicContact CZ-CD1 3.83Å; V143-L147 PolarHBondContact O-N 3.12Å; L147-G149 PolarHBondContact O-N 3.26Å; L147-L150 HydrophobicContact CB-CB 4.06Å; L147-L150 HydrophobicContact CB-CD2 4.21Å; L147-L150 HydrophobicContact CD1-CD2 3.93Å; L147-L150 VanDerWaalsContact O-CB 3.29Å; L147-L150 WeakPolarHBondContact O-CB 3.44Å; L147-L150 PolarHBondContact O-N 2.91Å
148P96.8Very high96.6Very high83 Ų8349.4 Ų49.454%0.53924%0.242SC..THydrogen-bonded Turntrans-64.5125.2-172.225.1-34.1000112.2Q80 H144Q80-P148 PolarHBondContact NE2-O 3.35Å; Q80-P148 VanDerWaalsContact NE2-O 3.09Å; H144-P148 VanDerWaalsContact O-CA 3.3Å; H144-P148 WeakPolarHBondContact O-CA 3.33Å
149G96Very high96.8Very high6 Ų648.1 Ų48.16%0.06223%0.231CC..THydrogen-bonded Turntrans84.79.8-179.800000114.5F78 I79 H144 L147 I151F78-G149 WeakPolarHBondContact CA-O 3.26Å; I79-G149 PolarHBondContact N-O 3.05Å; H144-G149 PolarHBondContact CD2-N 2.83Å; L147-G149 PolarHBondContact O-N 3.26Å; G149-I151 PolarHBondContact O-N 2.94Å
150L97.7Very high96.9Very high3 Ų346.5 Ų46.52%0.01623%0.228CC..BIsolated β-bridgetrans-62125.4176.7-179.167.7000111.6F14 L77 F78 F124 V143 H144 L147 T152 A155F14-L150 HydrophobicContact CD2-CD1 4.22Å; F14-L150 HydrophobicContact CD2-CD2 4.41Å; F14-L150 HydrophobicContact CE2-CD1 3.29Å; F14-L150 HydrophobicContact CE2-CD2 4.25Å; F14-L150 HydrophobicContact CE2-CG 4.42Å; F14-L150 HydrophobicContact CZ-CD1 3.57Å; L77-L150 HydrophobicContact CB-CD1 4.46Å; L77-L150 WeakPolarHBondContact O-CD1 3.26Å; F78-L150 HydrophobicContact CD1-CB 4.43Å; F78-L150 HydrophobicContact CE1-CB 4.09Å; F78-L150 HydrophobicContact CE1-CD1 4.13Å; F78-L150 HydrophobicContact CZ-CD1 4.24Å; F124-L150 HydrophobicContact CE1-CD2 3.88Å; F124-L150 HydrophobicContact CZ-CD2 3.57Å; V143-L150 HydrophobicContact CG1-CB 4.47Å; V143-L150 HydrophobicContact CG1-CD2 3.76Å; H144-L150 PolarHBondContact NE2-O 2.94Å; L147-L150 HydrophobicContact CB-CB 4.06Å; L147-L150 HydrophobicContact CB-CD2 4.21Å; L147-L150 HydrophobicContact CD1-CD2 3.93Å; L147-L150 VanDerWaalsContact O-CB 3.29Å; L147-L150 WeakPolarHBondContact O-CB 3.44Å; L147-L150 PolarHBondContact O-N 2.91Å; L150-T152 VanDerWaalsContact C-N 3.32Å; L150-T152 PolarHBondContact O-N 3.35Å; L150-A155 HydrophobicContact CD1-CB 4.35Å
151I97.1Very high97Very high26 Ų2641.8 Ų41.813%0.13321%0.21CC..  trans-80.584.2167.6-51.8172.4000107.6L77 I79 G149 L153 N154 A155L77-I151 WeakPolarHBondContact O-CB 3.45Å; L77-I151 PolarHBondContact O-N 3.28Å; I79-I151 HydrophobicContact CG2-CD1 4.24Å; I79-I151 HydrophobicContact CG2-CG1 3.74Å; G149-I151 PolarHBondContact O-N 2.94Å; I151-L153 VanDerWaalsContact C-N 3.26Å; I151-L153 PolarHBondContact O-N 3.1Å; I151-L153 VanDerWaalsContact O-N 3.1Å; I151-N154 HydrophobicContact CB-CB 4.19Å; I151-N154 HydrophobicContact CG2-CB 4.05Å; I151-N154 WeakPolarHBondContact O-CA 3.25Å; I151-N154 WeakPolarHBondContact O-CB 3.47Å; I151-N154 PolarHBondContact O-N 3.28Å; I151-A155 PolarHBondContact O-N 3.32Å
152T96.4Very high97.2Very high30 Ų3036.1 Ų36.118%0.18418%0.184CC..Hα-helixtrans-52.7-39.4-169.5-48.50000113.7L150 N154 A155 Y156L150-T152 VanDerWaalsContact C-N 3.32Å; L150-T152 PolarHBondContact O-N 3.35Å; T152-N154 VanDerWaalsContact C-N 3.3Å; T152-N154 PolarHBondContact O-N 3.41Å; T152-A155 WeakPolarHBondContact O-CB 3.36Å; T152-A155 PolarHBondContact O-N 3.36Å; T152-Y156 HydrophobicContact CG2-CD2 4.34Å; T152-Y156 HydrophobicContact CG2-CE1 3.78Å; T152-Y156 HydrophobicContact CG2-CE2 3.58Å; T152-Y156 VanDerWaalsContact CG2-OH 3.22Å; T152-Y156 WeakPolarHBondContact CG2-OH 3.1Å; T152-Y156 WeakPolarHBondContact O-CD1 3.26Å; T152-Y156 PolarHBondContact O-N 3.18Å; T152-Y156 VanDerWaalsContact O-N 3.12Å
153L95.6Very high97.2Very high115 Ų11539.2 Ų39.260%0.60220%0.199SC*.Hα-helixtrans-67.8-27.6177.7-68.7179.9000113.4I151 Y156 R157I151-L153 VanDerWaalsContact C-N 3.26Å; I151-L153 PolarHBondContact O-N 3.1Å; I151-L153 VanDerWaalsContact O-N 3.1Å; L153-Y156 HydrophobicContact CD2-CD2 4.25Å; L153-Y156 PolarHBondContact O-N 2.99Å; L153-R157 VanDerWaalsContact O-CG 3.25Å; L153-R157 WeakPolarHBondContact O-CG 3.35Å; L153-R157 PolarHBondContact O-N 2.94Å
154N97.2Very high97.3Very high13 Ų1340.9 Ų40.97%0.0721%0.207CC..Hα-helixtrans-73.2-34.6174.7-68.18.1000110.6H76 L77 K121 I151 T152 Y156H76-N154 WeakPolarHBondContact O-CB 3.2Å; H76-N154 PolarHBondContact O-ND2 3.34Å; L77-N154 HydrophobicContact CD2-CB 4.14Å; K121-N154 PolarHBondContact NZ-O 3.49Å; I151-N154 HydrophobicContact CB-CB 4.19Å; I151-N154 HydrophobicContact CG2-CB 4.05Å; I151-N154 WeakPolarHBondContact O-CA 3.25Å; I151-N154 WeakPolarHBondContact O-CB 3.47Å; I151-N154 PolarHBondContact O-N 3.28Å; T152-N154 VanDerWaalsContact C-N 3.3Å; T152-N154 PolarHBondContact O-N 3.41Å; N154-Y156 VanDerWaalsContact C-N 3.3Å; N154-Y156 PolarHBondContact O-N 2.84Å
155A97.6Very high97.4Very high0 Ų038.9 Ų38.90%020%0.198CC..Hα-helixtrans-61.4-39.2170.800000111.3F14 M17 K121 F124 L150 I151 T152F14-A155 HydrophobicContact CE2-CB 4.31Å; M17-A155 HydrophobicContact CE-CB 4.09Å; K121-A155 VanDerWaalsContact CG-O 3.25Å; K121-A155 WeakPolarHBondContact CG-O 3.24Å; K121-A155 PolarHBondContact NZ-O 3.46Å; F124-A155 HydrophobicContact CD1-CB 4.04Å; F124-A155 HydrophobicContact CE1-CB 3.85Å; L150-A155 HydrophobicContact CD1-CB 4.35Å; I151-A155 PolarHBondContact O-N 3.32Å; T152-A155 WeakPolarHBondContact O-CB 3.36Å; T152-A155 PolarHBondContact O-N 3.36Å
156Y97.8Very high97.4Very high31 Ų3134.1 Ų34.112%0.12219%0.188CC..Hα-helixtrans-77.7-33.8-179-57.9-16000114.4F124 E125 V128 T152 L153 N154 T158F124-Y156 AromaticContact CD1-CD1 3.92Å; F124-Y156 HydrophobicContact CD1-CD1 3.92Å; F124-Y156 AromaticContact CD1-CE1 3.49Å; F124-Y156 HydrophobicContact CD1-CE1 3.49Å; F124-Y156 VanDerWaalsContact CD1-CE1 3.49Å; F124-Y156 HydrophobicContact CE1-CD1 4.33Å; F124-Y156 AromaticContact CE1-CE1 3.68Å; F124-Y156 HydrophobicContact CE1-CE1 3.68Å; E125-Y156 VanDerWaalsContact CA-CE1 3.5Å; E125-Y156 HydrophobicContact CB-CD1 3.72Å; E125-Y156 HydrophobicContact CB-CD2 4.42Å; E125-Y156 HydrophobicContact CB-CE1 3.7Å; E125-Y156 HydrophobicContact CB-CE2 4.39Å; E125-Y156 HydrophobicContact CB-CG 4.11Å; E125-Y156 HydrophobicContact CG-CD1 4.24Å; E125-Y156 HydrophobicContact CG-CD2 4.03Å; E125-Y156 HydrophobicContact CG-CE1 4.12Å; E125-Y156 HydrophobicContact CG-CE2 3.9Å; E125-Y156 HydrophobicContact CG-CG 4.21Å; V128-Y156 VanDerWaalsContact CB-OH 3.31Å; V128-Y156 WeakPolarHBondContact CB-OH 3.48Å; V128-Y156 VanDerWaalsContact CG1-OH 3.3Å; V128-Y156 WeakPolarHBondContact CG1-OH 3.17Å; T152-Y156 HydrophobicContact CG2-CD2 4.34Å; T152-Y156 HydrophobicContact CG2-CE1 3.78Å; T152-Y156 HydrophobicContact CG2-CE2 3.58Å; T152-Y156 VanDerWaalsContact CG2-OH 3.22Å; T152-Y156 WeakPolarHBondContact CG2-OH 3.1Å; T152-Y156 WeakPolarHBondContact O-CD1 3.26Å; T152-Y156 PolarHBondContact O-N 3.18Å; T152-Y156 VanDerWaalsContact O-N 3.12Å; L153-Y156 HydrophobicContact CD2-CD2 4.25Å; L153-Y156 PolarHBondContact O-N 2.99Å; N154-Y156 VanDerWaalsContact C-N 3.3Å; N154-Y156 PolarHBondContact O-N 2.84Å; Y156-T158 PolarHBondContact O-N 3.01Å
157R95.7Very high97.5Very high46 Ų4633 Ų3317%0.17419%0.186CC..PPolyproline II helixtrans-57.4125.4-177.7-79.7172.1-156.9173.615.2111.6V92 K121 L153 P256V92-R157 PolarHBondContact O-NH1 2.91Å; K121-R157 WeakPolarHBondContact CD-O 3.25Å; K121-R157 WeakPolarHBondContact CE-O 3.4Å; K121-R157 PolarHBondContact NZ-O 3.25Å; L153-R157 VanDerWaalsContact O-CG 3.25Å; L153-R157 WeakPolarHBondContact O-CG 3.35Å; L153-R157 PolarHBondContact O-N 2.94Å; R157-P256 HydrophobicContact CG-CG 4.46Å
158T98Very high97.6Very high65 Ų6532.4 Ų32.440%0.39918%0.182SC..PPolyproline II helixtrans-78.4156-178.252.90000112.8N118 Y156N118-T158 HydrophobicContact CB-CG2 4.32Å; N118-T158 VanDerWaalsContact OD1-CA 3.26Å; N118-T158 WeakPolarHBondContact OD1-CA 3.47Å; N118-T158 VanDerWaalsContact OD1-CB 3.25Å; N118-T158 WeakPolarHBondContact OD1-CB 3.44Å; Y156-T158 PolarHBondContact O-N 3.01Å
159L98.5Very high97.7Very high7 Ų732.6 Ų32.64%0.03717%0.172CC..PPolyproline II helixtrans-80.2119.9163.6-63.9178.8000108.3L21 F24 F74 I114 I117 N118 I260L21-L159 HydrophobicContact CD2-CD1 3.98Å; L21-L159 HydrophobicContact CD2-CD2 4.44Å; L21-L159 HydrophobicContact CD2-CG 4.46Å; F24-L159 HydrophobicContact CD1-CD1 3.99Å; F24-L159 HydrophobicContact CE1-CD1 3.85Å; F74-L159 HydrophobicContact CB-CD2 4.31Å; F74-L159 HydrophobicContact CD1-CD2 3.4Å; F74-L159 HydrophobicContact CD2-CD2 4.26Å; F74-L159 HydrophobicContact CE1-CD2 3.64Å; F74-L159 HydrophobicContact CE2-CD2 4.47Å; F74-L159 HydrophobicContact CG-CD2 3.76Å; F74-L159 HydrophobicContact CZ-CD2 4.18Å; I114-L159 HydrophobicContact CG2-CB 4.02Å; I117-L159 HydrophobicContact CB-CD1 4.38Å; I117-L159 HydrophobicContact CD1-CD1 3.95Å; I117-L159 HydrophobicContact CG2-CD1 3.96Å; I117-L159 HydrophobicContact CG2-CG 4.46Å; N118-L159 PolarHBondContact ND2-O 2.84Å; N118-L159 PolarHBondContact OD1-N 2.82Å; L159-I260 HydrophobicContact CB-CD1 4.38Å; L159-I260 HydrophobicContact CD2-CD1 4.33Å
160T98.7Very high97.8Very high30 Ų3033.2 Ų33.218%0.18417%0.173CC..PPolyproline II helixtrans-96.9118180-56.60000109.4L162 L259 I260T160-L162 HydrophobicContact CG2-CD2 4.42Å; T160-L259 HydrophobicContact CG2-CD2 3.74Å; T160-I260 PolarHBondContact O-N 3.37Å
161V98.6Very high97.8Very high36 Ų3633.7 Ų33.722%0.21818%0.179CC..EExtended strand (participates in β ladder)trans-97.7141.2176.266.40000110.7V111 I114 I260 L262V111-V161 HydrophobicContact CG2-CG2 4.43Å; I114-V161 HydrophobicContact CD1-CB 3.84Å; I114-V161 HydrophobicContact CD1-CG2 3.92Å; I114-V161 HydrophobicContact CG2-CB 4.37Å; I114-V161 HydrophobicContact CG2-CG1 4.42Å; V161-I260 CarbonylContact C-O 3.58Å; V161-I260 VanDerWaalsContact CA-O 3.28Å; V161-I260 WeakPolarHBondContact CA-O 3.45Å; V161-L262 HydrophobicContact CG2-CD1 3.79Å; V161-L262 HydrophobicContact CG2-CG 3.94Å
162L98.6Very high97.8Very high1 Ų134.5 Ų34.51%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-122.3136.3172.9-51176.3000108.8T160 P165 L168 V242 L259 I260 A261 L262T160-L162 HydrophobicContact CG2-CD2 4.42Å; L162-P165 HydrophobicContact CB-CB 4.45Å; L162-P165 HydrophobicContact CB-CG 4.03Å; L162-P165 HydrophobicContact CD1-CB 4.4Å; L162-P165 HydrophobicContact CD1-CG 4.25Å; L162-L168 HydrophobicContact CD1-CD2 3.82Å; L162-V242 HydrophobicContact CD1-CG1 4.21Å; L162-V242 HydrophobicContact CD1-CG2 3.84Å; L162-V242 HydrophobicContact CD2-CG2 4.24Å; L162-L259 HydrophobicContact CD1-CB 4.2Å; L162-L259 HydrophobicContact CD1-CD1 3.96Å; L162-I260 PolarHBondContact N-O 2.94Å; L162-A261 HydrophobicContact CB-CB 4.3Å; L162-A261 WeakPolarHBondContact O-CA 3.39Å; L162-L262 PolarHBondContact O-N 3.17Å
163H98.1Very high97.7Very high80 Ų8033.7 Ų33.737%0.3718%0.177SC..EExtended strand (participates in β ladder)trans-102.7119.4176.2-56.2-74.9000109.5V111 P165 Y244V111-H163 VanDerWaalsContact CG2-CE1 3.46Å; V111-H163 WeakPolarHBondContact CG2-CE1 3.36Å; H163-P165 VanDerWaalsContact C-CD 3.41Å; H163-Y244 VanDerWaalsContact O-CE1 3.26Å; H163-Y244 WeakPolarHBondContact O-CE1 3.48Å
164D98Very high97.5Very high36 Ų3632.1 Ų32.119%0.19317%0.169CC..SBendtrans45.848.1175.1-56.6-33.2000114.9A166 L262 I263 N264 N267 A269D164-A166 PolarHBondContact O-N 3.03Å; D164-L262 PolarHBondContact N-O 3.07Å; D164-I263 WeakPolarHBondContact OD1-CA 3.4Å; D164-N264 PolarHBondContact OD1-N 3.25Å; D164-N267 PolarHBondContact OD2-ND2 2.99Å; D164-A269 HydrophobicContact CB-CB 3.89Å; D164-A269 VanDerWaalsContact CG-CB 3.48Å; D164-A269 VanDerWaalsContact OD1-CB 3.22Å; D164-A269 WeakPolarHBondContact OD1-CB 3.44Å
165P98.3Very high97.2Very high1 Ų135.5 Ų35.51%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-64.1136.5176.329.2-35.2000110.4L162 H163 L168 V242 Y244 A261 I263 P272L162-P165 HydrophobicContact CB-CB 4.45Å; L162-P165 HydrophobicContact CB-CG 4.03Å; L162-P165 HydrophobicContact CD1-CB 4.4Å; L162-P165 HydrophobicContact CD1-CG 4.25Å; H163-P165 VanDerWaalsContact C-CD 3.41Å; P165-L168 HydrophobicContact CB-CD1 4.09Å; P165-L168 HydrophobicContact CG-CD1 4.01Å; P165-V242 HydrophobicContact CB-CG1 3.61Å; P165-Y244 HydrophobicContact CB-CE1 4.35Å; P165-A261 HydrophobicContact CG-CB 3.68Å; P165-I263 HydrophobicContact CG-CD1 4.29Å; P165-P272 HydrophobicContact CG-CG 4.12Å; P165-P272 VanDerWaalsContact O-CB 3.31Å; P165-P272 WeakPolarHBondContact O-CB 3.45Å; P165-P272 VanDerWaalsContact O-CG 3.26Å; P165-P272 WeakPolarHBondContact O-CG 3.38Å
166A97.8Very high97Very high37 Ų3739.8 Ų39.831%0.30620%0.203SC..EExtended strand (participates in β ladder)trans-82.6-39.617700000111.8D164 W243 P272 D273D164-A166 PolarHBondContact O-N 3.03Å; A166-W243 PolarHBondContact N-O 2.88Å; A166-P272 WeakPolarHBondContact O-CA 3.38Å; A166-D273 PolarHBondContact O-N 3.44Å
167T98.3Very high96.7Very high34 Ų3441.8 Ų41.821%0.20922%0.215CC..EExtended strand (participates in β ladder)trans-144.4137.6-174.9-50.30000110.9R169 V242 W243 D273T167-R169 HydrophobicContact CG2-CG 4.47Å; T167-R169 VanDerWaalsContact CG2-NH1 3.3Å; T167-V242 WeakPolarHBondContact O-CA 3.47Å; T167-W243 HydrophobicContact CG2-CE3 4.3Å; T167-W243 PolarHBondContact N-O 3.45Å; T167-W243 PolarHBondContact O-N 2.85Å; T167-D273 CarbonylContact C-O 3.6Å; T167-D273 WeakPolarHBondContact CA-O 3.44Å; T167-D273 HydrophobicContact CG2-CB 4.28Å
168L98.6Very high96.6Very high0 Ų044.2 Ų44.20%023%0.231CC..EExtended strand (participates in β ladder)trans-120.5136.5169.3-74.1111.6000110.7V97 L162 P165 F170 R241 V242 L259 P272 D273 V274 G275V97-L168 HydrophobicContact CB-CD2 4.09Å; V97-L168 HydrophobicContact CG1-CD1 4.33Å; V97-L168 HydrophobicContact CG1-CD2 4.27Å; V97-L168 HydrophobicContact CG2-CD1 4.3Å; V97-L168 HydrophobicContact CG2-CD2 4.1Å; L162-L168 HydrophobicContact CD1-CD2 3.82Å; P165-L168 HydrophobicContact CB-CD1 4.09Å; P165-L168 HydrophobicContact CG-CD1 4.01Å; L168-F170 HydrophobicContact CB-CE2 4.48Å; L168-F170 HydrophobicContact CB-CZ 4.44Å; L168-F170 HydrophobicContact CD2-CZ 4.34Å; L168-R241 WeakPolarHBondContact CA-O 3.49Å; L168-V242 HydrophobicContact CD2-CG2 3.95Å; L168-V242 HydrophobicContact CG-CG2 4.32Å; L168-L259 HydrophobicContact CD2-CD1 3.95Å; L168-P272 HydrophobicContact CD1-CB 4.11Å; L168-D273 PolarHBondContact N-O 2.98Å; L168-V274 HydrophobicContact CD1-CG2 4.22Å; L168-G275 PolarHBondContact O-N 2.83Å
169R98.4Very high96.5Very high87 Ų8746.6 Ų46.633%0.32824%0.236SC..EExtended strand (participates in β ladder)trans-130.6140.8170-61.5-65.5-179.7-107.15.8109.8T167 A240 R241 W243 D273T167-R169 HydrophobicContact CG2-CG 4.47Å; T167-R169 VanDerWaalsContact CG2-NH1 3.3Å; R169-A240 CarbonylContact O-C 3.55Å; R169-A240 WeakPolarHBondContact O-CA 3.14Å; R169-R241 PolarHBondContact N-O 3.15Å; R169-R241 PolarHBondContact O-N 2.85Å; R169-W243 HydrophobicContact CB-CH2 4.38Å; R169-W243 HydrophobicContact CB-CZ3 3.95Å; R169-W243 HydrophobicContact CG-CH2 4.18Å; R169-W243 HydrophobicContact CG-CZ3 3.72Å; R169-D273 IonicContact CZ-OD1 3.49Å; R169-D273 IonicContact CZ-OD2 3.19Å; R169-D273 VanDerWaalsContact NH1-CG 3.27Å; R169-D273 PolarHBondContact NH1-O 3.46Å; R169-D273 IonicContact NH1-OD1 3.89Å; R169-D273 PolarHBondContact NH1-OD1 3.31Å; R169-D273 IonicContact NH1-OD2 2.72Å; R169-D273 PolarHBondContact NH1-OD2 3.17Å; R169-D273 IonicContact NH2-OD1 2.7Å; R169-D273 PolarHBondContact NH2-OD1 3.17Å; R169-D273 IonicContact NH2-OD2 3.64Å; R169-D273 PolarHBondContact NH2-OD2 2.98Å
170F98.5Very high96.4Very high19 Ų1951.5 Ų51.58%0.08326%0.262CS..EExtended strand (participates in β ladder)trans-110.1155.3177.6-55.9-82.8000110.5F39 V97 L168 I239 A240 V274 G275 L277F39-F170 HydrophobicContact CE2-CB 4.45Å; F39-F170 HydrophobicContact CE2-CD1 4.45Å; F39-F170 AromaticContact CE2-CD2 3.62Å; F39-F170 HydrophobicContact CE2-CD2 3.62Å; F39-F170 AromaticContact CE2-CE2 3.92Å; F39-F170 HydrophobicContact CE2-CE2 3.92Å; F39-F170 AromaticContact CE2-CG 3.92Å; F39-F170 HydrophobicContact CE2-CG 3.92Å; F39-F170 HydrophobicContact CE2-CZ 4.45Å; F39-F170 HydrophobicContact CZ-CD2 4.02Å; F39-F170 HydrophobicContact CZ-CE2 4.35Å; V97-F170 HydrophobicContact CB-CZ 4.15Å; V97-F170 HydrophobicContact CG1-CE2 4.49Å; V97-F170 HydrophobicContact CG1-CZ 3.93Å; L168-F170 HydrophobicContact CB-CE2 4.48Å; L168-F170 HydrophobicContact CB-CZ 4.44Å; L168-F170 HydrophobicContact CD2-CZ 4.34Å; F170-I239 WeakPolarHBondContact CA-O 3.33Å; F170-A240 HydrophobicContact CD1-CB 3.85Å; F170-A240 HydrophobicContact CE1-CB 3.82Å; F170-V274 HydrophobicContact CE2-CG1 3.88Å; F170-V274 HydrophobicContact CZ-CG1 4.49Å; F170-G275 VanDerWaalsContact CD2-O 3.31Å; F170-G275 WeakPolarHBondContact CD2-O 3.41Å; F170-G275 WeakPolarHBondContact CE2-O 3.43Å; F170-L277 HydrophobicContact CB-CB 3.78Å; F170-L277 HydrophobicContact CB-CD1 4.02Å; F170-L277 HydrophobicContact CB-CG 4.44Å
171G97.4Very high96.3Very high14 Ų1450.5 Ų50.514%0.14426%0.255CS..EExtended strand (participates in β ladder)trans-172.2-175.7175.800000112.1P238 I239G171-P238 CarbonylContact O-C 3.58Å; G171-P238 WeakPolarHBondContact O-CA 3.48Å; G171-I239 PolarHBondContact N-O 3.12Å; G171-I239 WeakPolarHBondContact O-CG1 3.38Å; G171-I239 PolarHBondContact O-N 3.31Å
172W97.2Very high96.3Very high42 Ų4254.7 Ų54.716%0.15927%0.272CS..EExtended strand (participates in β ladder)trans-105.7146.1-179-58.5102.3000111.3L41 I56 V58 V236 Q237 P238 L277 L278 Y280L41-W172 HydrophobicContact CD1-CH2 4.1Å; L41-W172 HydrophobicContact CD2-CH2 3.81Å; L41-W172 HydrophobicContact CD2-CZ3 4.05Å; L41-W172 HydrophobicContact CG-CH2 4.02Å; I56-W172 HydrophobicContact CB-CH2 4.23Å; I56-W172 HydrophobicContact CB-CZ2 4.29Å; I56-W172 HydrophobicContact CD1-CE3 4.4Å; I56-W172 HydrophobicContact CD1-CH2 4.01Å; I56-W172 HydrophobicContact CD1-CZ3 3.87Å; I56-W172 HydrophobicContact CG2-CH2 3.9Å; I56-W172 HydrophobicContact CG2-CZ2 4.24Å; V58-W172 HydrophobicContact CG1-CH2 3.98Å; V58-W172 HydrophobicContact CG1-CZ2 3.61Å; W172-V236 HydrophobicContact CB-CG2 3.78Å; W172-V236 HydrophobicContact CD2-CG2 4.39Å; W172-V236 HydrophobicContact CE3-CG2 3.98Å; W172-V236 HydrophobicContact CG-CG2 4.36Å; W172-Q237 CarbonylContact C-O 3.55Å; W172-Q237 WeakPolarHBondContact CA-O 3.45Å; W172-P238 HydrophobicContact CE3-CB 4.21Å; W172-P238 HydrophobicContact CZ3-CB 4Å; W172-P238 HydrophobicContact CZ3-CG 4.34Å; W172-L277 HydrophobicContact CD2-CD1 4.23Å; W172-L277 HydrophobicContact CG-CD1 4.48Å; W172-L277 HydrophobicContact CH2-CD2 4.03Å; W172-L277 HydrophobicContact CZ2-CD1 4.07Å; W172-L277 HydrophobicContact CZ2-CD2 3.73Å; W172-L277 HydrophobicContact CZ2-CG 3.94Å; W172-L278 PolarHBondContact NE1-O 3.39Å; W172-Y280 HydrophobicContact CB-CD2 3.59Å; W172-Y280 HydrophobicContact CB-CE2 4.03Å; W172-Y280 AromaticContact CD1-CD2 3.72Å; W172-Y280 HydrophobicContact CD2-CD2 4.17Å; W172-Y280 HydrophobicContact CD2-CG 4.27Å; W172-Y280 AromaticContact CG-CD2 3.53Å; W172-Y280 HydrophobicContact CG-CD2 3.53Å; W172-Y280 HydrophobicContact CG-CE2 4.43Å; W172-Y280 HydrophobicContact CG-CG 4.08Å
173A94.8Very high96.2Very high13 Ų1356.8 Ų56.811%0.10728%0.28CS..EExtended strand (participates in β ladder)trans-129.7126.3177.400000111.3K175 Q237 I239A173-K175 HydrophobicContact CB-CG 4.26Å; A173-Q237 PolarHBondContact N-O 2.84Å; A173-Q237 PolarHBondContact O-N 3.33Å; A173-I239 HydrophobicContact CB-CD1 4.03Å; A173-I239 HydrophobicContact CB-CG1 4.14Å; A173-I239 HydrophobicContact CB-CG2 3.69Å
174N92.1Very high96.2Very high82 Ų8256.2 Ų56.244%0.43928%0.28SS..  trans-98.592.1169.7-71.6-51.5000108.9V236 Y280N174-V236 WeakPolarHBondContact OD1-CB 3.46Å; N174-Y280 PolarHBondContact ND2-OH 2.86Å; N174-Y280 PolarHBondContact OD1-OH 3.47Å
175K91Very high96.2Very high84 Ų8458.9 Ų58.937%0.36529%0.291SS..  trans-96.2165.6-179.2-66.2-171.8179.4-179.40111.1A173 V234A173-K175 HydrophobicContact CB-CG 4.26Å; K175-V234 HydrophobicContact CB-CB 4.46Å; K175-V234 WeakPolarHBondContact O-CB 3.28Å; K175-V234 PolarHBondContact O-N 2.82Å
176H92.5Very high96.1Very high90 Ų9058.9 Ų58.942%0.41729%0.291SS..EExtended strand (participates in β ladder)trans-119.1143.7168.7-67.576000109.2I178 K231 R232H176-I178 HydrophobicContact CB-CG1 4.09Å; H176-K231 HydrophobicContact CB-CG 4.09Å; H176-R232 CarbonylContact C-O 3.47Å; H176-R232 WeakPolarHBondContact CA-O 3.5Å; H176-R232 WeakPolarHBondContact CB-O 3.44Å
177I91.7Very high96.1Very high73 Ų7358 Ų5837%0.37428%0.281SS..EExtended strand (participates in β ladder)trans-81.4119161.1-70.2157.4000105.9K231 R232 V234I177-K231 WeakPolarHBondContact O-CA 3.45Å; I177-R232 HydrophobicContact CB-CG 3.73Å; I177-R232 HydrophobicContact CD1-CG 4.49Å; I177-R232 HydrophobicContact CG2-CG 4.32Å; I177-R232 PolarHBondContact N-O 3.38Å; I177-R232 PolarHBondContact O-N 2.94Å; I177-V234 HydrophobicContact CB-CG2 4.43Å; I177-V234 HydrophobicContact CD1-CG2 3.85Å; I177-V234 HydrophobicContact CG1-CG2 3.59Å
178I94Very high96.1Very high97 Ų9759.1 Ų59.150%0.49729%0.293SS..EExtended strand (participates in β ladder)trans-113.3120.5177.3-57.7178.3000107.5H176 K229 I230 K231H176-I178 HydrophobicContact CB-CG1 4.09Å; I178-K229 HydrophobicContact CG2-CB 4.45Å; I178-K229 HydrophobicContact CG2-CD 4.12Å; I178-I230 CarbonylContact C-O 3.31Å; I178-I230 VanDerWaalsContact CA-O 3.25Å; I178-I230 WeakPolarHBondContact CA-O 3.35Å; I178-K231 HydrophobicContact CG1-CG 4.24Å
179K96.2Very high95.9Very high116 Ų11662.8 Ų62.850%0.50431%0.311SS..EExtended strand (participates in β ladder)trans-123.4112.8172.7-177.7-178.2-179.6-170.20108.1L181 K229 I230K179-L181 HydrophobicContact CD-CD2 4.08Å; K179-L181 HydrophobicContact CG-CD2 4.29Å; K179-L181 HydrophobicContact CG-CG 4.4Å; K179-K229 CarbonylContact O-C 3.53Å; K179-K229 WeakPolarHBondContact O-CA 3.2Å; K179-K229 WeakPolarHBondContact O-CB 3.28Å; K179-I230 HydrophobicContact CB-CB 4.41Å; K179-I230 PolarHBondContact N-O 3.43Å; K179-I230 PolarHBondContact O-N 3.5Å
180N96.6Very high95.8Very high110 Ų11058.6 Ų58.659%0.58830%0.295SS*.EExtended strand (participates in β ladder)trans-71.4144.1171.2-61.1-40.1000109.3L228N180-L228 WeakPolarHBondContact CA-O 3.39Å
181L96.7Very high95.7Very high9 Ų961.5 Ų61.55%0.04731%0.309CS..EExtended strand (participates in β ladder)trans-141147.5-177.6-68.2169.2000109.3K179 E185 V186 L228 I230 L305K179-L181 HydrophobicContact CD-CD2 4.08Å; K179-L181 HydrophobicContact CG-CD2 4.29Å; K179-L181 HydrophobicContact CG-CG 4.4Å; L181-E185 WeakPolarHBondContact CA-OE2 3.49Å; L181-E185 HydrophobicContact CD2-CB 4.37Å; L181-V186 HydrophobicContact CB-CG2 3.94Å; L181-V186 HydrophobicContact CD1-CG2 3.88Å; L181-V186 HydrophobicContact CG-CG2 4.49Å; L181-L228 HydrophobicContact CB-CB 4.26Å; L181-L228 PolarHBondContact N-O 3.37Å; L181-L228 WeakPolarHBondContact O-CB 3.37Å; L181-L228 PolarHBondContact O-N 3.46Å; L181-L228 VanDerWaalsContact O-O 3.08Å; L181-I230 HydrophobicContact CD1-CD1 3.8Å; L181-I230 HydrophobicContact CD1-CG1 3.83Å; L181-L305 HydrophobicContact CD1-CD1 4.03Å
182H97Very high95.6Very high123 Ų12368.4 Ų68.457%0.56934%0.335SS*.  trans-84.5156.4164.4-66.4-80.5000110.6D184 E185 V186H182-D184 VanDerWaalsContact C-N 3.25Å; H182-D184 PolarHBondContact O-N 3.09Å; H182-E185 HydrophobicContact CB-CG 4.24Å; H182-E185 IonicContact CD2-OE2 3.94Å; H182-E185 PolarHBondContact CD2-OE2 3.18Å; H182-E185 IonicContact CG-OE2 2.8Å; H182-E185 PolarHBondContact N-OE2 2.94Å; H182-E185 PolarHBondContact O-N 3.3Å; H182-V186 PolarHBondContact O-N 2.83Å
183R97.6Very high95.3Very high46 Ų4667.8 Ų67.817%0.17434%0.337CS..Hα-helixtrans-50.3-48.7174.5-174.9-161.368-175.7-0.5111.4E185 V186 L187 I219 L222 L228R183-E185 VanDerWaalsContact C-N 3.31Å; R183-E185 PolarHBondContact O-N 3.31Å; R183-V186 PolarHBondContact O-N 3.48Å; R183-V186 VanDerWaalsContact O-N 3.1Å; R183-L187 HydrophobicContact CG-CD1 4.11Å; R183-L187 HydrophobicContact CG-CG 4.43Å; R183-L187 WeakPolarHBondContact O-CG 3.49Å; R183-L187 PolarHBondContact O-N 2.92Å; R183-I219 HydrophobicContact CG-CG2 3.92Å; R183-I219 WeakPolarHBondContact CG-O 3.45Å; R183-L222 VanDerWaalsContact CD-O 3.29Å; R183-L222 WeakPolarHBondContact CD-O 3.38Å; R183-L222 PolarHBondContact NH1-O 3.32Å; R183-L228 HydrophobicContact CB-CD1 4.48Å
184D97.4Very high95.2Very high68 Ų6869.1 Ų69.136%0.36434%0.342SS..Hα-helixtrans-68.3-30.8-173.4-59.7-18.3000112.1H182 L187 A188 Q224H182-D184 VanDerWaalsContact C-N 3.25Å; H182-D184 PolarHBondContact O-N 3.09Å; D184-L187 PolarHBondContact O-N 3.47Å; D184-A188 WeakPolarHBondContact O-CB 3.49Å; D184-A188 PolarHBondContact O-N 3.21Å; D184-Q224 PolarHBondContact OD2-NE2 3.34Å
185E97.5Very high95.2Very high91 Ų9172.4 Ų72.443%0.42535%0.352SS..Hα-helixtrans-65.7-40.4171.9-65.8179.9101.900111.9L181 H182 R183 Q189L181-E185 WeakPolarHBondContact CA-OE2 3.49Å; L181-E185 HydrophobicContact CD2-CB 4.37Å; H182-E185 HydrophobicContact CB-CG 4.24Å; H182-E185 IonicContact CD2-OE2 3.94Å; H182-E185 PolarHBondContact CD2-OE2 3.18Å; H182-E185 IonicContact CG-OE2 2.8Å; H182-E185 PolarHBondContact N-OE2 2.94Å; H182-E185 PolarHBondContact O-N 3.3Å; R183-E185 VanDerWaalsContact C-N 3.31Å; R183-E185 PolarHBondContact O-N 3.31Å; E185-Q189 PolarHBondContact O-N 3.39Å; E185-Q189 VanDerWaalsContact O-N 3.07Å
186V97.5Very high95Very high1 Ų171.8 Ų71.81%0.00636%0.359CS..Hα-helixtrans-68.2-42.9177.2179.10000110.5L181 H182 R183 A188 Q189 L190 I219 L228 L305L181-V186 HydrophobicContact CB-CG2 3.94Å; L181-V186 HydrophobicContact CD1-CG2 3.88Å; L181-V186 HydrophobicContact CG-CG2 4.49Å; H182-V186 PolarHBondContact O-N 2.83Å; R183-V186 PolarHBondContact O-N 3.48Å; R183-V186 VanDerWaalsContact O-N 3.1Å; V186-A188 VanDerWaalsContact C-N 3.35Å; V186-A188 PolarHBondContact O-N 3.41Å; V186-Q189 WeakPolarHBondContact O-CB 3.37Å; V186-Q189 PolarHBondContact O-N 3.11Å; V186-L190 HydrophobicContact CG1-CD1 4.13Å; V186-L190 HydrophobicContact CG1-CG 4.41Å; V186-L190 WeakPolarHBondContact O-CG 3.35Å; V186-L190 PolarHBondContact O-N 2.78Å; V186-I219 HydrophobicContact CB-CG2 4.12Å; V186-I219 HydrophobicContact CG1-CD1 4.21Å; V186-I219 HydrophobicContact CG1-CG1 4Å; V186-I219 HydrophobicContact CG1-CG2 3.95Å; V186-L228 HydrophobicContact CB-CD1 4.22Å; V186-L228 HydrophobicContact CG2-CD1 3.71Å; V186-L305 HydrophobicContact CG1-CD2 3.73Å; V186-L305 HydrophobicContact CG2-CD1 4.19Å; V186-L305 HydrophobicContact CG2-CD2 4.25Å
187L98Very high94.2Very high19 Ų1970.6 Ų70.610%0.09936%0.359CS..Hα-helixtrans-59-45.8175.7-69.8174.7000111.3R183 D184 Q189 L190 E191 Y216 I219 A220R183-L187 HydrophobicContact CG-CD1 4.11Å; R183-L187 HydrophobicContact CG-CG 4.43Å; R183-L187 WeakPolarHBondContact O-CG 3.49Å; R183-L187 PolarHBondContact O-N 2.92Å; D184-L187 PolarHBondContact O-N 3.47Å; L187-Q189 VanDerWaalsContact C-N 3.3Å; L187-Q189 PolarHBondContact O-N 2.9Å; L187-L190 PolarHBondContact O-N 2.91Å; L187-E191 WeakPolarHBondContact O-CB 3.48Å; L187-E191 PolarHBondContact O-N 3.35Å; L187-Y216 HydrophobicContact CB-CE2 4.07Å; L187-Y216 HydrophobicContact CD2-CD1 4.27Å; L187-Y216 HydrophobicContact CD2-CD2 3.83Å; L187-Y216 HydrophobicContact CD2-CE1 4.14Å; L187-Y216 HydrophobicContact CD2-CE2 3.69Å; L187-Y216 HydrophobicContact CD2-CG 4.12Å; L187-Y216 HydrophobicContact CG-CE2 4.46Å; L187-I219 HydrophobicContact CD2-CB 3.99Å; L187-I219 HydrophobicContact CD2-CG2 3.71Å; L187-I219 HydrophobicContact CG-CG2 3.88Å; L187-A220 HydrophobicContact CD2-CB 4.05Å
188A97Very high93.8Very high57 Ų5773.8 Ų73.847%0.47137%0.366SS..Hα-helixtrans-60.7-38.8176.100000112.4D184 V186 K192D184-A188 WeakPolarHBondContact O-CB 3.49Å; D184-A188 PolarHBondContact O-N 3.21Å; V186-A188 VanDerWaalsContact C-N 3.35Å; V186-A188 PolarHBondContact O-N 3.41Å; A188-K192 WeakPolarHBondContact O-CB 3.33Å; A188-K192 PolarHBondContact O-N 2.95Å
189Q95.5Very high93.1Very high77 Ų7773.7 Ų73.736%0.3637%0.374SS..Hα-helixtrans-64.8-41.6175.4-176.6-178.8-14.400112.3E185 V186 L187 S193E185-Q189 PolarHBondContact O-N 3.39Å; E185-Q189 VanDerWaalsContact O-N 3.07Å; V186-Q189 WeakPolarHBondContact O-CB 3.37Å; V186-Q189 PolarHBondContact O-N 3.11Å; L187-Q189 VanDerWaalsContact C-N 3.3Å; L187-Q189 PolarHBondContact O-N 2.9Å; Q189-S193 PolarHBondContact O-N 3.27Å; Q189-S193 VanDerWaalsContact O-N 3.15Å; Q189-S193 PolarHBondContact O-OG 3.49Å
190L96.1Very high92.6Very high0 Ų070 Ų700%036%0.361CS..Hα-helixtrans-69.6-41.9177.8-68.9175.1000111.4V186 L187 K192 S193 L194 L212 E215 Y216 I219 I300 R302V186-L190 HydrophobicContact CG1-CD1 4.13Å; V186-L190 HydrophobicContact CG1-CG 4.41Å; V186-L190 WeakPolarHBondContact O-CG 3.35Å; V186-L190 PolarHBondContact O-N 2.78Å; L187-L190 PolarHBondContact O-N 2.91Å; L190-K192 VanDerWaalsContact C-N 3.35Å; L190-K192 PolarHBondContact O-N 3.07Å; L190-S193 CarbonylContact O-C 3.48Å; L190-S193 WeakPolarHBondContact O-CA 3.24Å; L190-S193 VanDerWaalsContact O-CB 3.3Å; L190-S193 WeakPolarHBondContact O-CB 3.34Å; L190-S193 PolarHBondContact O-N 3.35Å; L190-L194 WeakPolarHBondContact O-CG 3.39Å; L190-L194 PolarHBondContact O-N 2.86Å; L190-L212 HydrophobicContact CD2-CD2 4.38Å; L190-E215 HydrophobicContact CD1-CB 4.27Å; L190-E215 HydrophobicContact CD2-CB 4.34Å; L190-Y216 HydrophobicContact CB-CD2 3.99Å; L190-I219 HydrophobicContact CD1-CB 4.46Å; L190-I219 HydrophobicContact CD1-CG1 4.09Å; L190-I300 HydrophobicContact CD1-CD1 4.16Å; L190-I300 HydrophobicContact CD2-CD1 4.47Å; L190-R302 VanDerWaalsContact CD2-NH2 3.34Å
191E96.5Very high92.1Very high79 Ų7969.1 Ų69.137%0.36937%0.369SS..Hα-helixtrans-61-43.1176-167.7-173.4169.600111.6L187 S193 L194 K195 Y216L187-E191 WeakPolarHBondContact O-CB 3.48Å; L187-E191 PolarHBondContact O-N 3.35Å; E191-S193 PolarHBondContact O-N 2.64Å; E191-L194 PolarHBondContact O-N 2.72Å; E191-K195 HydrophobicContact CG-CD 4.45Å; E191-K195 WeakPolarHBondContact O-CG 3.49Å; E191-K195 PolarHBondContact O-N 3.48Å; E191-K195 WeakPolarHBondContact OE1-CE 3.25Å; E191-K195 IonicContact OE1-NZ 2.66Å; E191-K195 PolarHBondContact OE1-NZ 3.22Å; E191-Y216 HydrophobicContact CB-CE2 4.35Å
192K93.9Very high91.8Very high160 Ų16073.9 Ų73.970%0.69640%0.401SS*.Hα-helixtrans-59.7-35.9172.1-175.3175-176.9172.50112.1A188 L190 S196A188-K192 WeakPolarHBondContact O-CB 3.33Å; A188-K192 PolarHBondContact O-N 2.95Å; L190-K192 VanDerWaalsContact C-N 3.35Å; L190-K192 PolarHBondContact O-N 3.07Å; K192-S196 PolarHBondContact O-N 3.17Å
193S91.9Very high91.4Very high28 Ų2872.3 Ų72.320%0.19639%0.39CS..Hα-helixtrans-71.9-35.7177.5-55.60000112.1Q189 L190 E191 S196Q189-S193 PolarHBondContact O-N 3.27Å; Q189-S193 VanDerWaalsContact O-N 3.15Å; Q189-S193 PolarHBondContact O-OG 3.49Å; L190-S193 CarbonylContact O-C 3.48Å; L190-S193 WeakPolarHBondContact O-CA 3.24Å; L190-S193 VanDerWaalsContact O-CB 3.3Å; L190-S193 WeakPolarHBondContact O-CB 3.34Å; L190-S193 PolarHBondContact O-N 3.35Å; E191-S193 PolarHBondContact O-N 2.64Å; S193-S196 PolarHBondContact O-N 3.26Å
194L92.9Very high91.1Very high42 Ų4273.2 Ų73.222%0.2240%0.401CS..Hα-helixtrans-68.6-40.5176.1-75.7165.1000112.3L190 E191 S196 Q209 L212 E213 Y216L190-L194 WeakPolarHBondContact O-CG 3.39Å; L190-L194 PolarHBondContact O-N 2.86Å; E191-L194 PolarHBondContact O-N 2.72Å; L194-S196 PolarHBondContact O-N 3.34Å; L194-Q209 HydrophobicContact CD2-CG 4.28Å; L194-L212 HydrophobicContact CD2-CB 3.45Å; L194-L212 VanDerWaalsContact CD2-CB 3.45Å; L194-L212 HydrophobicContact CD2-CD1 4.18Å; L194-L212 HydrophobicContact CD2-CG 4.49Å; L194-L212 HydrophobicContact CG-CB 3.95Å; L194-L212 HydrophobicContact CG-CD1 4.42Å; L194-E213 HydrophobicContact CD2-CG 3.82Å; L194-Y216 HydrophobicContact CD1-CD2 4.35Å
195K92.3Very high90.8Very high150 Ų15076 Ų7665%0.65241%0.406SS*.Hα-helixtrans-67.5-18.2177.4-71.3175.5-177.1169.70113.7E191 P197E191-K195 HydrophobicContact CG-CD 4.45Å; E191-K195 WeakPolarHBondContact O-CG 3.49Å; E191-K195 PolarHBondContact O-N 3.48Å; E191-K195 WeakPolarHBondContact OE1-CE 3.25Å; E191-K195 IonicContact OE1-NZ 2.66Å; E191-K195 PolarHBondContact OE1-NZ 3.22Å; K195-P197 VanDerWaalsContact C-CD 3.44Å; K195-P197 WeakPolarHBondContact O-CD 3.48Å
196S87.1Confident90.5Very high72 Ų7277.1 Ų77.150%0.50341%0.411SS..SBendtrans-114.176.5-179.2-67.70000110.8K192 S193 L194 R198K192-S196 PolarHBondContact O-N 3.17Å; S193-S196 PolarHBondContact O-N 3.26Å; L194-S196 PolarHBondContact O-N 3.34Å; S196-R198 PolarHBondContact O-N 3.42Å
197P75.5Confident90.3Very high64 Ų6481.3 Ų81.342%0.41643%0.431SS..  trans-61.7128.7-177.222.5-31.2000110.9K195 R205K195-P197 VanDerWaalsContact C-CD 3.44Å; K195-P197 WeakPolarHBondContact O-CD 3.48Å; P197-R205 HydrophobicContact CB-CG 4.4Å; P197-R205 VanDerWaalsContact CB-NE 3.33Å
198R82.4Confident90.1Very high140 Ų14081 Ų8153%0.52843%0.428SS..  trans-143.8147.3179.559.9176.6-173.1-176.60.7110.1S196 V200S196-R198 PolarHBondContact O-N 3.42Å; R198-V200 HydrophobicContact CG-CG2 3.95Å
199S80.5Confident89.9Confident96 Ų9681.8 Ų81.867%0.67142%0.422SS*.  trans-78.4129.9167.7-57.40000109.1
200V85.8Confident89.8Confident37 Ų3786.7 Ų86.722%0.22444%0.437CS..BIsolated β-bridgetrans-125.7109.8176.9-179.20000107R198 W203 W208R198-V200 HydrophobicContact CG-CG2 3.95Å; V200-W203 HydrophobicContact CB-CE3 4.45Å; V200-W203 HydrophobicContact CG1-CE3 4.22Å; V200-W203 HydrophobicContact CG1-CZ3 4.29Å; V200-W203 WeakPolarHBondContact O-CA 3.4Å; V200-W203 WeakPolarHBondContact O-CB 3.49Å; V200-W203 PolarHBondContact O-N 3.49Å; V200-W208 HydrophobicContact CB-CD2 3.92Å; V200-W208 HydrophobicContact CB-CE3 4.11Å; V200-W208 HydrophobicContact CB-CG 4.25Å; V200-W208 HydrophobicContact CB-CZ3 4.5Å; V200-W208 HydrophobicContact CG1-CE3 4.44Å; V200-W208 HydrophobicContact CG1-CH2 4.4Å; V200-W208 HydrophobicContact CG1-CZ3 4.35Å; V200-W208 HydrophobicContact CG2-CD2 3.86Å; V200-W208 HydrophobicContact CG2-CE3 4.49Å; V200-W208 HydrophobicContact CG2-CG 4.05Å; V200-W208 HydrophobicContact CG2-CZ2 4.12Å
201A85Confident89.7Confident92 Ų9291 Ų9176%0.7646%0.456SS*.THydrogen-bonded Turntrans-56.5138.9177.700000110.9
202P90.8Very high89.7Confident109 Ų10987.4 Ų87.471%0.70844%0.439SS*.THydrogen-bonded Turncis-88.98.65.636.7-37.4000115.3
203W89Confident89.8Confident91 Ų9184 Ų8435%0.34543%0.426SS..BIsolated β-bridgetrans-90.1150.1-171.7-56.9-67.9000113.8V200 E207 W208 K211V200-W203 HydrophobicContact CB-CE3 4.45Å; V200-W203 HydrophobicContact CG1-CE3 4.22Å; V200-W203 HydrophobicContact CG1-CZ3 4.29Å; V200-W203 WeakPolarHBondContact O-CA 3.4Å; V200-W203 WeakPolarHBondContact O-CB 3.49Å; V200-W203 PolarHBondContact O-N 3.49Å; W203-E207 VanDerWaalsContact CA-OE2 3.27Å; W203-E207 WeakPolarHBondContact CA-OE2 3.48Å; W203-E207 HydrophobicContact CB-CB 3.95Å; W203-E207 HydrophobicContact CG-CB 4.47Å; W203-W208 HydrophobicContact CB-CB 4.43Å; W203-W208 HydrophobicContact CD2-CE3 4.13Å; W203-W208 HydrophobicContact CD2-CZ3 4.42Å; W203-W208 AromaticContact CE3-CE3 3.5Å; W203-W208 HydrophobicContact CE3-CE3 3.5Å; W203-W208 AromaticContact CE3-CZ3 3.56Å; W203-W208 HydrophobicContact CE3-CZ3 3.56Å; W203-W208 HydrophobicContact CH2-CZ3 4.38Å; W203-W208 HydrophobicContact CZ3-CE3 4.01Å; W203-W208 AromaticContact CZ3-CZ3 3.54Å; W203-W208 HydrophobicContact CZ3-CZ3 3.54Å; W203-K211 HydrophobicContact CD2-CD 4.21Å; W203-K211 VanDerWaalsContact CE2-CE 3.44Å; W203-K211 HydrophobicContact CG-CD 4.46Å; W203-K211 HydrophobicContact CZ2-CD 4.48Å; W203-K211 VanDerWaalsContact NE1-CE 3.3Å
204T90.9Very high90Very high65 Ų6590.3 Ų90.340%0.39945%0.445SS..  trans-68.7168.5164.982.10000110.9E206 E207 W208T204-E206 VanDerWaalsContact C-N 3.32Å; T204-E206 WeakPolarHBondContact CB-OE2 3.38Å; T204-E206 PolarHBondContact O-N 2.99Å; T204-E206 PolarHBondContact OG1-N 2.68Å; T204-E206 PolarHBondContact OG1-OE2 3.34Å; T204-E207 PolarHBondContact N-OE2 2.91Å; T204-E207 PolarHBondContact O-N 3.12Å; T204-E207 WeakPolarHBondContact OG1-CG 3.17Å; T204-E207 PolarHBondContact OG1-N 2.91Å; T204-W208 WeakPolarHBondContact O-CB 3.4Å; T204-W208 PolarHBondContact O-N 3.2Å
205R90Very high90.2Very high126 Ų12689.5 Ų89.548%0.47544%0.441SS..Hα-helixtrans-58.7-44.2175.2179.1-178.7168.3168.91.3111.5P197 W208 Q209P197-R205 HydrophobicContact CB-CG 4.4Å; P197-R205 VanDerWaalsContact CB-NE 3.33Å; R205-W208 PolarHBondContact O-N 2.9Å; R205-Q209 WeakPolarHBondContact O-CB 3.48Å; R205-Q209 PolarHBondContact O-N 3.3Å
206E91.5Very high90.5Very high115 Ų11585.6 Ų85.654%0.53742%0.422SS..Hα-helixtrans-67.4-42.9-179.3-55.579.2-163.200111.6T204 W208 Q209 R210T204-E206 VanDerWaalsContact C-N 3.32Å; T204-E206 WeakPolarHBondContact CB-OE2 3.38Å; T204-E206 PolarHBondContact O-N 2.99Å; T204-E206 PolarHBondContact OG1-N 2.68Å; T204-E206 PolarHBondContact OG1-OE2 3.34Å; E206-W208 VanDerWaalsContact C-N 3.34Å; E206-W208 PolarHBondContact O-N 3.15Å; E206-Q209 PolarHBondContact O-N 3.39Å; E206-R210 WeakPolarHBondContact O-CG 3.4Å; E206-R210 PolarHBondContact O-N 3.23Å
207E93.6Very high91Very high88 Ų8887.8 Ų87.841%0.41142%0.424SS..Hα-helixtrans-62-43.1176.6-70.6177.5153.300111.8W203 T204 Q209 R210 K211W203-E207 VanDerWaalsContact CA-OE2 3.27Å; W203-E207 WeakPolarHBondContact CA-OE2 3.48Å; W203-E207 HydrophobicContact CB-CB 3.95Å; W203-E207 HydrophobicContact CG-CB 4.47Å; T204-E207 PolarHBondContact N-OE2 2.91Å; T204-E207 PolarHBondContact O-N 3.12Å; T204-E207 WeakPolarHBondContact OG1-CG 3.17Å; T204-E207 PolarHBondContact OG1-N 2.91Å; E207-Q209 VanDerWaalsContact C-N 3.33Å; E207-R210 PolarHBondContact O-N 3.28Å; E207-K211 PolarHBondContact O-N 3.5Å; E207-K211 VanDerWaalsContact O-N 3.07Å
208W93.4Very high92Very high13 Ų1387.4 Ų87.45%0.04942%0.419CS..Hα-helixtrans-64.2-40.4176.8-174.3-112.1000111.9V200 W203 T204 R205 E206 K211 L212 R302V200-W208 HydrophobicContact CB-CD2 3.92Å; V200-W208 HydrophobicContact CB-CE3 4.11Å; V200-W208 HydrophobicContact CB-CG 4.25Å; V200-W208 HydrophobicContact CB-CZ3 4.5Å; V200-W208 HydrophobicContact CG1-CE3 4.44Å; V200-W208 HydrophobicContact CG1-CH2 4.4Å; V200-W208 HydrophobicContact CG1-CZ3 4.35Å; V200-W208 HydrophobicContact CG2-CD2 3.86Å; V200-W208 HydrophobicContact CG2-CE3 4.49Å; V200-W208 HydrophobicContact CG2-CG 4.05Å; V200-W208 HydrophobicContact CG2-CZ2 4.12Å; W203-W208 HydrophobicContact CB-CB 4.43Å; W203-W208 HydrophobicContact CD2-CE3 4.13Å; W203-W208 HydrophobicContact CD2-CZ3 4.42Å; W203-W208 AromaticContact CE3-CE3 3.5Å; W203-W208 HydrophobicContact CE3-CE3 3.5Å; W203-W208 AromaticContact CE3-CZ3 3.56Å; W203-W208 HydrophobicContact CE3-CZ3 3.56Å; W203-W208 HydrophobicContact CH2-CZ3 4.38Å; W203-W208 HydrophobicContact CZ3-CE3 4.01Å; W203-W208 AromaticContact CZ3-CZ3 3.54Å; W203-W208 HydrophobicContact CZ3-CZ3 3.54Å; T204-W208 WeakPolarHBondContact O-CB 3.4Å; T204-W208 PolarHBondContact O-N 3.2Å; R205-W208 PolarHBondContact O-N 2.9Å; E206-W208 VanDerWaalsContact C-N 3.34Å; E206-W208 PolarHBondContact O-N 3.15Å; W208-K211 HydrophobicContact CE3-CD 4.15Å; W208-K211 HydrophobicContact CZ3-CD 4.32Å; W208-K211 WeakPolarHBondContact O-CB 3.1Å; W208-K211 PolarHBondContact O-N 3.26Å; W208-L212 HydrophobicContact CZ2-CD2 4.17Å; W208-L212 WeakPolarHBondContact O-CG 3.49Å; W208-L212 PolarHBondContact O-N 3.16Å; W208-R302 VanDerWaalsContact CH2-CD 3.45Å
209Q93.4Very high92.7Very high73 Ų7380.8 Ų80.834%0.34139%0.394SS..Hα-helixtrans-63.9-45.7177.3-171.2165.6-23.300111.7L194 R205 E206 E207 K211 L212 E213L194-Q209 HydrophobicContact CD2-CG 4.28Å; R205-Q209 WeakPolarHBondContact O-CB 3.48Å; R205-Q209 PolarHBondContact O-N 3.3Å; E206-Q209 PolarHBondContact O-N 3.39Å; E207-Q209 VanDerWaalsContact C-N 3.33Å; Q209-K211 VanDerWaalsContact C-N 3.29Å; Q209-K211 PolarHBondContact O-N 3.22Å; Q209-L212 PolarHBondContact O-N 3.31Å; Q209-L212 VanDerWaalsContact O-N 3.13Å; Q209-E213 WeakPolarHBondContact O-CG 3.43Å; Q209-E213 PolarHBondContact O-N 3.3Å
210R93.7Very high93.5Very high180 Ų18077.9 Ų77.968%0.67938%0.376SS*.Hα-helixtrans-58.2-39.4174.1-71.7177.2-177.1174.32.2112.6E206 E207 E213 R214E206-R210 WeakPolarHBondContact O-CG 3.4Å; E206-R210 PolarHBondContact O-N 3.23Å; E207-R210 PolarHBondContact O-N 3.28Å; R210-E213 PolarHBondContact O-N 3.37Å; R210-R214 PolarHBondContact O-N 3.1Å
211K94.8Very high94.1Very high90 Ų9080.3 Ų80.339%0.39140%0.4SS..Hα-helixtrans-62.1-46.5174.7-80.7178.5172.1-74.90111.9W203 E207 W208 Q209 E213 R214 E215W203-K211 HydrophobicContact CD2-CD 4.21Å; W203-K211 VanDerWaalsContact CE2-CE 3.44Å; W203-K211 HydrophobicContact CG-CD 4.46Å; W203-K211 HydrophobicContact CZ2-CD 4.48Å; W203-K211 VanDerWaalsContact NE1-CE 3.3Å; E207-K211 PolarHBondContact O-N 3.5Å; E207-K211 VanDerWaalsContact O-N 3.07Å; W208-K211 HydrophobicContact CE3-CD 4.15Å; W208-K211 HydrophobicContact CZ3-CD 4.32Å; W208-K211 WeakPolarHBondContact O-CB 3.1Å; W208-K211 PolarHBondContact O-N 3.26Å; Q209-K211 VanDerWaalsContact C-N 3.29Å; Q209-K211 PolarHBondContact O-N 3.22Å; K211-E213 VanDerWaalsContact C-N 3.35Å; K211-R214 PolarHBondContact O-N 2.78Å; K211-E215 WeakPolarHBondContact O-CG 3.42Å; K211-E215 PolarHBondContact O-N 3.48Å
212L95.2Very high94.6Very high4 Ų477.2 Ų77.22%0.02137%0.37CS..Hα-helixtrans-63.6-40.1177.9-71.3178.6000112.2L190 L194 W208 Q209 E215 Y216L190-L212 HydrophobicContact CD2-CD2 4.38Å; L194-L212 HydrophobicContact CD2-CB 3.45Å; L194-L212 VanDerWaalsContact CD2-CB 3.45Å; L194-L212 HydrophobicContact CD2-CD1 4.18Å; L194-L212 HydrophobicContact CD2-CG 4.49Å; L194-L212 HydrophobicContact CG-CB 3.95Å; L194-L212 HydrophobicContact CG-CD1 4.42Å; W208-L212 HydrophobicContact CZ2-CD2 4.17Å; W208-L212 WeakPolarHBondContact O-CG 3.49Å; W208-L212 PolarHBondContact O-N 3.16Å; Q209-L212 PolarHBondContact O-N 3.31Å; Q209-L212 VanDerWaalsContact O-N 3.13Å; L212-E215 PolarHBondContact O-N 3.47Å; L212-Y216 WeakPolarHBondContact O-CB 3.29Å; L212-Y216 PolarHBondContact O-N 2.95Å
213E96.3Very high94.9Very high89 Ų8975.7 Ų75.742%0.41636%0.36SS..Hα-helixtrans-62.3-43.8175.5-73167.1-176.200111L194 Q209 R210 K211 Y216 Q217L194-E213 HydrophobicContact CD2-CG 3.82Å; Q209-E213 WeakPolarHBondContact O-CG 3.43Å; Q209-E213 PolarHBondContact O-N 3.3Å; R210-E213 PolarHBondContact O-N 3.37Å; K211-E213 VanDerWaalsContact C-N 3.35Å; E213-Y216 WeakPolarHBondContact O-CB 3.38Å; E213-Y216 PolarHBondContact O-N 3.45Å; E213-Q217 WeakPolarHBondContact O-CG 3.38Å; E213-Q217 PolarHBondContact O-N 2.91Å
214R96.5Very high95.2Very high160 Ų16077.1 Ų77.160%0.60437%0.371SS*.Hα-helixtrans-62.1-47.7176.2-178.364.6-159.5-168.87.9111.9R210 K211 Y216 Q217 D218R210-R214 PolarHBondContact O-N 3.1Å; K211-R214 PolarHBondContact O-N 2.78Å; R214-Y216 VanDerWaalsContact C-N 3.26Å; R214-Y216 PolarHBondContact O-N 2.83Å; R214-Q217 PolarHBondContact O-N 3.47Å; R214-D218 IonicContact CZ-OD1 2.64Å; R214-D218 VanDerWaalsContact CZ-OD1 3.25Å; R214-D218 IonicContact NE-OD1 3.48Å; R214-D218 PolarHBondContact NE-OD1 3.49Å; R214-D218 IonicContact NE-OD2 3.07Å; R214-D218 PolarHBondContact NE-OD2 3.07Å; R214-D218 IonicContact NH2-OD1 3.97Å; R214-D218 PolarHBondContact NH2-OD1 3.35Å; R214-D218 VanDerWaalsContact O-CG 3.32Å; R214-D218 PolarHBondContact O-N 3.49Å
215E97.1Very high95.4Very high26 Ų2680.3 Ų80.312%0.12139%0.386CS..Hα-helixtrans-57.8-39.8175.3-74.2174.717400111.8L190 K211 L212 I219 I300 R302L190-E215 HydrophobicContact CD1-CB 4.27Å; L190-E215 HydrophobicContact CD2-CB 4.34Å; K211-E215 WeakPolarHBondContact O-CG 3.42Å; K211-E215 PolarHBondContact O-N 3.48Å; L212-E215 PolarHBondContact O-N 3.47Å; E215-I219 VanDerWaalsContact O-CG1 3.28Å; E215-I219 WeakPolarHBondContact O-CG1 3.22Å; E215-I219 PolarHBondContact O-N 3.34Å; E215-I219 VanDerWaalsContact O-N 3.12Å; E215-I300 HydrophobicContact CB-CD1 3.82Å; E215-I300 HydrophobicContact CB-CG1 4.37Å; E215-I300 HydrophobicContact CG-CD1 4.03Å; E215-I300 HydrophobicContact CG-CG1 4.12Å; E215-I300 HydrophobicContact CG-CG2 4.21Å; E215-I300 WeakPolarHBondContact OE1-CG2 3.37Å; E215-R302 VanDerWaalsContact CD-NE 3.3Å; E215-R302 WeakPolarHBondContact OE1-CD 3.42Å; E215-R302 IonicContact OE1-CZ 2.75Å; E215-R302 IonicContact OE1-NE 2.72Å; E215-R302 PolarHBondContact OE1-NE 3.32Å; E215-R302 IonicContact OE2-CZ 3.81Å; E215-R302 IonicContact OE2-NE 3.51Å; E215-R302 PolarHBondContact OE2-NE 2.85Å; E215-R302 IonicContact OE2-NH2 3.9Å; E215-R302 PolarHBondContact OE2-NH2 3.27Å
216Y97.7Very high95.7Very high67 Ų6774.8 Ų74.826%0.26337%0.367SS..Hα-helixtrans-62.7-47.7176.6-174.3-81.9000111.4L187 L190 E191 L194 L212 E213 R214 D218 I219 A220L187-Y216 HydrophobicContact CB-CE2 4.07Å; L187-Y216 HydrophobicContact CD2-CD1 4.27Å; L187-Y216 HydrophobicContact CD2-CD2 3.83Å; L187-Y216 HydrophobicContact CD2-CE1 4.14Å; L187-Y216 HydrophobicContact CD2-CE2 3.69Å; L187-Y216 HydrophobicContact CD2-CG 4.12Å; L187-Y216 HydrophobicContact CG-CE2 4.46Å; L190-Y216 HydrophobicContact CB-CD2 3.99Å; E191-Y216 HydrophobicContact CB-CE2 4.35Å; L194-Y216 HydrophobicContact CD1-CD2 4.35Å; L212-Y216 WeakPolarHBondContact O-CB 3.29Å; L212-Y216 PolarHBondContact O-N 2.95Å; E213-Y216 WeakPolarHBondContact O-CB 3.38Å; E213-Y216 PolarHBondContact O-N 3.45Å; R214-Y216 VanDerWaalsContact C-N 3.26Å; R214-Y216 PolarHBondContact O-N 2.83Å; Y216-D218 PolarHBondContact O-N 2.98Å; Y216-I219 PolarHBondContact O-N 2.78Å; Y216-A220 HydrophobicContact CD1-CB 4.44Å; Y216-A220 HydrophobicContact CE1-CB 4.32Å; Y216-A220 VanDerWaalsContact O-CB 3.3Å; Y216-A220 WeakPolarHBondContact O-CB 3.29Å; Y216-A220 PolarHBondContact O-N 3.07Å
217Q97.3Very high96Very high118 Ų11876.2 Ų76.255%0.55137%0.372SS*.Hα-helixtrans-62.5-43178.5-66.3-59.8-29.400112.2E213 R214 I219 A220 A221E213-Q217 WeakPolarHBondContact O-CG 3.38Å; E213-Q217 PolarHBondContact O-N 2.91Å; R214-Q217 PolarHBondContact O-N 3.47Å; Q217-I219 VanDerWaalsContact C-N 3.27Å; Q217-I219 PolarHBondContact O-N 2.82Å; Q217-A220 PolarHBondContact O-N 3.44Å; Q217-A221 WeakPolarHBondContact O-CB 3.4Å; Q217-A221 PolarHBondContact O-N 3.39Å
218D96.9Very high96.2Very high57 Ų5772.1 Ų72.131%0.30535%0.353SS..Hα-helixtrans-62.6-34.5178.6-68.4-31.3000111.9R214 Y216R214-D218 IonicContact CZ-OD1 2.64Å; R214-D218 VanDerWaalsContact CZ-OD1 3.25Å; R214-D218 IonicContact NE-OD1 3.48Å; R214-D218 PolarHBondContact NE-OD1 3.49Å; R214-D218 IonicContact NE-OD2 3.07Å; R214-D218 PolarHBondContact NE-OD2 3.07Å; R214-D218 IonicContact NH2-OD1 3.97Å; R214-D218 PolarHBondContact NH2-OD1 3.35Å; R214-D218 VanDerWaalsContact O-CG 3.32Å; R214-D218 PolarHBondContact O-N 3.49Å; Y216-D218 PolarHBondContact O-N 2.98Å
219I97.8Very high96.3Very high0 Ų073 Ų730%036%0.357CS..Hα-helixtrans-78-38.7174.7-63-64.4000111.8R183 V186 L187 L190 E215 Y216 Q217 A221 L222 L228 I299 I300 L305R183-I219 HydrophobicContact CG-CG2 3.92Å; R183-I219 WeakPolarHBondContact CG-O 3.45Å; V186-I219 HydrophobicContact CB-CG2 4.12Å; V186-I219 HydrophobicContact CG1-CD1 4.21Å; V186-I219 HydrophobicContact CG1-CG1 4Å; V186-I219 HydrophobicContact CG1-CG2 3.95Å; L187-I219 HydrophobicContact CD2-CB 3.99Å; L187-I219 HydrophobicContact CD2-CG2 3.71Å; L187-I219 HydrophobicContact CG-CG2 3.88Å; L190-I219 HydrophobicContact CD1-CB 4.46Å; L190-I219 HydrophobicContact CD1-CG1 4.09Å; E215-I219 VanDerWaalsContact O-CG1 3.28Å; E215-I219 WeakPolarHBondContact O-CG1 3.22Å; E215-I219 PolarHBondContact O-N 3.34Å; E215-I219 VanDerWaalsContact O-N 3.12Å; Y216-I219 PolarHBondContact O-N 2.78Å; Q217-I219 VanDerWaalsContact C-N 3.27Å; Q217-I219 PolarHBondContact O-N 2.82Å; I219-A221 VanDerWaalsContact C-N 3.26Å; I219-A221 PolarHBondContact O-N 3.03Å; I219-L222 HydrophobicContact CD1-CD1 4.11Å; I219-L222 WeakPolarHBondContact O-CB 3.39Å; I219-L222 PolarHBondContact O-N 3.13Å; I219-L222 VanDerWaalsContact O-N 3.15Å; I219-L228 HydrophobicContact CD1-CD1 4.38Å; I219-L228 HydrophobicContact CG2-CD1 4.41Å; I219-I299 HydrophobicContact CD1-CD1 4.39Å; I219-I299 HydrophobicContact CD1-CG2 3.9Å; I219-I300 HydrophobicContact CD1-CD1 4.1Å; I219-I300 HydrophobicContact CD1-CG1 4.49Å; I219-I300 HydrophobicContact CG1-CD1 3.86Å; I219-L305 HydrophobicContact CD1-CD2 3.66Å
220A97.5Very high96.5Very high35 Ų3570.7 Ų70.729%0.28935%0.347SS..Hα-helixtrans-65-32179.900000112.2L187 Y216 Q217 L222L187-A220 HydrophobicContact CD2-CB 4.05Å; Y216-A220 HydrophobicContact CD1-CB 4.44Å; Y216-A220 HydrophobicContact CE1-CB 4.32Å; Y216-A220 VanDerWaalsContact O-CB 3.3Å; Y216-A220 WeakPolarHBondContact O-CB 3.29Å; Y216-A220 PolarHBondContact O-N 3.07Å; Q217-A220 PolarHBondContact O-N 3.44Å; A220-L222 PolarHBondContact O-N 2.95Å
221A97Very high96.6Very high89 Ų8964.4 Ų64.474%0.73632%0.324SS*.THydrogen-bonded Turntrans-68.9-13.3175.800000114Q217 I219Q217-A221 WeakPolarHBondContact O-CB 3.4Å; Q217-A221 PolarHBondContact O-N 3.39Å; I219-A221 VanDerWaalsContact C-N 3.26Å; I219-A221 PolarHBondContact O-N 3.03Å
222L96.7Very high96.5Very high26 Ų2666.1 Ų66.114%0.13633%0.328CS..SBendtrans-76.4150.7176.4-62.3174000111.5R183 I219 A220 A226 L228 I299R183-L222 VanDerWaalsContact CD-O 3.29Å; R183-L222 WeakPolarHBondContact CD-O 3.38Å; R183-L222 PolarHBondContact NH1-O 3.32Å; I219-L222 HydrophobicContact CD1-CD1 4.11Å; I219-L222 WeakPolarHBondContact O-CB 3.39Å; I219-L222 PolarHBondContact O-N 3.13Å; I219-L222 VanDerWaalsContact O-N 3.15Å; A220-L222 PolarHBondContact O-N 2.95Å; L222-A226 HydrophobicContact CB-CB 3.98Å; L222-A226 HydrophobicContact CD1-CB 4.46Å; L222-L228 HydrophobicContact CD1-CD2 3.85Å; L222-I299 HydrophobicContact CD1-CD1 3.77Å
223P96.6Very high96.2Very high77 Ų7770 Ų7050%0.535%0.354SS..  trans-61.2150.217328.4-35.3000110.4N225 A226P223-N225 WeakPolarHBondContact CB-OD1 3.31Å; P223-N225 PolarHBondContact O-N 3.3Å; P223-N225 VanDerWaalsContact O-N 3.16Å; P223-A226 HydrophobicContact CG-CB 4.13Å; P223-A226 WeakPolarHBondContact O-CB 3.3Å; P223-A226 PolarHBondContact O-N 3.33Å
224Q95.6Very high95.9Very high121 Ų12167 Ų6757%0.56534%0.342SS*.THydrogen-bonded Turntrans-60.6-30.3-174.8-172.117020.500113.2D184 A226D184-Q224 PolarHBondContact OD2-NE2 3.34Å; Q224-A226 VanDerWaalsContact C-N 3.32Å
225N95.9Very high95.6Very high132 Ų13264.3 Ų64.371%0.70633%0.334SS*.THydrogen-bonded Turntrans-89.312.717767.8-14.6000113.9P223 K227P223-N225 WeakPolarHBondContact CB-OD1 3.31Å; P223-N225 PolarHBondContact O-N 3.3Å; P223-N225 VanDerWaalsContact O-N 3.16Å; N225-K227 PolarHBondContact O-N 2.99Å
226A96.1Very high95.5Very high11 Ų1163.3 Ų63.39%0.09133%0.33CS..  trans-55.7130.117600000111.1L222 P223 Q224 L228L222-A226 HydrophobicContact CB-CB 3.98Å; L222-A226 HydrophobicContact CD1-CB 4.46Å; P223-A226 HydrophobicContact CG-CB 4.13Å; P223-A226 WeakPolarHBondContact O-CB 3.3Å; P223-A226 PolarHBondContact O-N 3.33Å; Q224-A226 VanDerWaalsContact C-N 3.32Å; A226-L228 PolarHBondContact O-N 2.97Å; A226-L228 VanDerWaalsContact O-N 3.12Å
227K96.7Very high95.3Very high145 Ų14562.6 Ų62.663%0.6333%0.329SS*.EExtended strand (participates in β ladder)trans-8488-179.4-68176-176.1168.40110N225 A308N225-K227 PolarHBondContact O-N 2.99Å; K227-A308 HydrophobicContact CB-CB 4.07Å; K227-A308 PolarHBondContact O-N 2.66Å
228L97.5Very high95.4Very high2 Ų257 Ų571%0.0130%0.303CS..EExtended strand (participates in β ladder)trans-87.7146.8177.1-57.9177.8000110.9N180 L181 R183 V186 I219 L222 A226 I299 L305 Y306 V307N180-L228 WeakPolarHBondContact CA-O 3.39Å; L181-L228 HydrophobicContact CB-CB 4.26Å; L181-L228 PolarHBondContact N-O 3.37Å; L181-L228 WeakPolarHBondContact O-CB 3.37Å; L181-L228 PolarHBondContact O-N 3.46Å; L181-L228 VanDerWaalsContact O-O 3.08Å; R183-L228 HydrophobicContact CB-CD1 4.48Å; V186-L228 HydrophobicContact CB-CD1 4.22Å; V186-L228 HydrophobicContact CG2-CD1 3.71Å; I219-L228 HydrophobicContact CD1-CD1 4.38Å; I219-L228 HydrophobicContact CG2-CD1 4.41Å; L222-L228 HydrophobicContact CD1-CD2 3.85Å; A226-L228 PolarHBondContact O-N 2.97Å; A226-L228 VanDerWaalsContact O-N 3.12Å; L228-I299 HydrophobicContact CD2-CD1 3.83Å; L228-L305 HydrophobicContact CB-CD1 4.3Å; L228-Y306 CarbonylContact C-O 3.57Å; L228-Y306 WeakPolarHBondContact CA-O 3.18Å; L228-V307 HydrophobicContact CD2-CB 3.89Å; L228-V307 HydrophobicContact CD2-CG2 4.22Å
229K96.8Very high95.4Very high30 Ų3054.5 Ų54.513%0.1329%0.289CS..EExtended strand (participates in β ladder)trans-150139.9168.967.8-171.676.2176.30112.4I178 K179 L296 Y306I178-K229 HydrophobicContact CG2-CB 4.45Å; I178-K229 HydrophobicContact CG2-CD 4.12Å; K179-K229 CarbonylContact O-C 3.53Å; K179-K229 WeakPolarHBondContact O-CA 3.2Å; K179-K229 WeakPolarHBondContact O-CB 3.28Å; K229-L296 HydrophobicContact CD-CD1 4.11Å; K229-L296 HydrophobicContact CD-CD2 3.93Å; K229-L296 HydrophobicContact CG-CD2 4.32Å; K229-Y306 PolarHBondContact N-O 3.16Å; K229-Y306 PolarHBondContact O-N 3.14Å
230I96.6Very high95.4Very high26 Ų2654.5 Ų54.513%0.13329%0.289CS..EExtended strand (participates in β ladder)trans-78.6125.3163-68.3173.6000107.4I178 K179 L181 R232 L303 H304 L305I178-I230 CarbonylContact C-O 3.31Å; I178-I230 VanDerWaalsContact CA-O 3.25Å; I178-I230 WeakPolarHBondContact CA-O 3.35Å; K179-I230 HydrophobicContact CB-CB 4.41Å; K179-I230 PolarHBondContact N-O 3.43Å; K179-I230 PolarHBondContact O-N 3.5Å; L181-I230 HydrophobicContact CD1-CD1 3.8Å; L181-I230 HydrophobicContact CD1-CG1 3.83Å; I230-R232 HydrophobicContact CG2-CG 4.5Å; I230-L303 WeakPolarHBondContact CG2-O 3.48Å; I230-H304 WeakPolarHBondContact CA-O 3.5Å; I230-L305 HydrophobicContact CG1-CD1 3.94Å
231K95.5Very high95.5Very high48 Ų4857 Ų5721%0.20929%0.292CS..EExtended strand (participates in β ladder)trans-128.293.9173.8-179.5-176.7174.4-172.70109.5H176 I177 I178 L296 H304 Y306H176-K231 HydrophobicContact CB-CG 4.09Å; I177-K231 WeakPolarHBondContact O-CA 3.45Å; I178-K231 HydrophobicContact CG1-CG 4.24Å; K231-L296 HydrophobicContact CD-CD1 3.67Å; K231-H304 PolarHBondContact N-O 3.17Å; K231-H304 WeakPolarHBondContact O-CB 3.45Å; K231-Y306 HydrophobicContact CB-CD2 3.87Å; K231-Y306 HydrophobicContact CB-CE2 3.87Å
232R92.5Very high95.6Very high125 Ų12552.8 Ų52.847%0.47226%0.257SS..EExtended strand (participates in β ladder)trans-107.3138179.962.8-176.7178.3171.7-0.1111.2H176 I177 I230 H304H176-R232 CarbonylContact C-O 3.47Å; H176-R232 WeakPolarHBondContact CA-O 3.5Å; H176-R232 WeakPolarHBondContact CB-O 3.44Å; I177-R232 HydrophobicContact CB-CG 3.73Å; I177-R232 HydrophobicContact CD1-CG 4.49Å; I177-R232 HydrophobicContact CG2-CG 4.32Å; I177-R232 PolarHBondContact N-O 3.38Å; I177-R232 PolarHBondContact O-N 2.94Å; I230-R232 HydrophobicContact CG2-CG 4.5Å; R232-H304 HydrophobicContact CB-CB 4.25Å
233P89.8Confident95.6Very high86 Ų8654.9 Ų54.956%0.55826%0.263SS*.EExtended strand (participates in β ladder)trans-65.3142.5175.127.7-33.3000110.4
234V90Very high95.7Very high27 Ų2754.4 Ų54.416%0.16425%0.251CS..PPolyproline II helixtrans-98.5131.6168.8-1760000106.8K175 I177 V236 Q237K175-V234 HydrophobicContact CB-CB 4.46Å; K175-V234 WeakPolarHBondContact O-CB 3.28Å; K175-V234 PolarHBondContact O-N 2.82Å; I177-V234 HydrophobicContact CB-CG2 4.43Å; I177-V234 HydrophobicContact CD1-CG2 3.85Å; I177-V234 HydrophobicContact CG1-CG2 3.59Å; V234-V236 PolarHBondContact O-N 3.02Å; V234-Q237 HydrophobicContact CG1-CG 4.17Å; V234-Q237 VanDerWaalsContact CG1-NE2 3.25Å
235K90.2Very high95.5Very high102 Ų10257.8 Ų57.844%0.44326%0.264SS..PPolyproline II helixtrans-49.2137.3171.3-74.8-164.3176.1-159.70109.5E49 L53 Q237E49-K235 PolarHBondContact O-NZ 3.4Å; L53-K235 HydrophobicContact CD1-CD 4.19Å; K235-Q237 WeakPolarHBondContact O-CG 3.42Å; K235-Q237 PolarHBondContact O-N 2.9Å
236V94.2Very high95.3Very high6 Ų655.8 Ų55.84%0.03627%0.274CS..  trans-43.6137.2-177.7660000111.8L53 I56 R93 W172 N174 V234 Y280L53-V236 HydrophobicContact CB-CG1 4.16Å; L53-V236 HydrophobicContact CD1-CG1 4.36Å; I56-V236 HydrophobicContact CD1-CG1 3.51Å; R93-V236 PolarHBondContact NH1-O 3.24Å; W172-V236 HydrophobicContact CB-CG2 3.78Å; W172-V236 HydrophobicContact CD2-CG2 4.39Å; W172-V236 HydrophobicContact CE3-CG2 3.98Å; W172-V236 HydrophobicContact CG-CG2 4.36Å; N174-V236 WeakPolarHBondContact OD1-CB 3.46Å; V234-V236 PolarHBondContact O-N 3.02Å; V236-Y280 HydrophobicContact CB-CE1 4.15Å; V236-Y280 HydrophobicContact CB-CE2 4.49Å; V236-Y280 HydrophobicContact CG1-CD1 4.05Å; V236-Y280 HydrophobicContact CG1-CE1 3.94Å; V236-Y280 HydrophobicContact CG2-CD1 4.32Å; V236-Y280 HydrophobicContact CG2-CD2 3.89Å; V236-Y280 HydrophobicContact CG2-CE1 4.07Å; V236-Y280 HydrophobicContact CG2-CE2 3.62Å; V236-Y280 HydrophobicContact CG2-CG 4.23Å
237Q95.1Very high95.1Very high51 Ų5159 Ų5924%0.23829%0.29CS..EExtended strand (participates in β ladder)trans-130.4142.8-176.4-47.3-165.4-31.700111.8W172 A173 V234 K235W172-Q237 CarbonylContact C-O 3.55Å; W172-Q237 WeakPolarHBondContact CA-O 3.45Å; A173-Q237 PolarHBondContact N-O 2.84Å; A173-Q237 PolarHBondContact O-N 3.33Å; V234-Q237 HydrophobicContact CG1-CG 4.17Å; V234-Q237 VanDerWaalsContact CG1-NE2 3.25Å; K235-Q237 WeakPolarHBondContact O-CG 3.42Å; K235-Q237 PolarHBondContact O-N 2.9Å
238P97.7Very high94.8Very high2 Ų261 Ų611%0.01330%0.302CS..EExtended strand (participates in β ladder)trans-71.9140.2170.731.8-34.3000110.3P95 G171 W172 C255 L277P95-P238 HydrophobicContact CB-CB 3.71Å; P95-P238 HydrophobicContact CB-CG 4.04Å; P95-P238 HydrophobicContact CG-CB 3.76Å; P95-P238 HydrophobicContact CG-CG 3.96Å; G171-P238 CarbonylContact O-C 3.58Å; G171-P238 WeakPolarHBondContact O-CA 3.48Å; W172-P238 HydrophobicContact CE3-CB 4.21Å; W172-P238 HydrophobicContact CZ3-CB 4Å; W172-P238 HydrophobicContact CZ3-CG 4.34Å; P238-C255 WeakPolarHBondContact CG-O 3.46Å; P238-C255 PolarHBondContact O-N 3.42Å; P238-L277 HydrophobicContact CB-CD2 4.29Å
239I98Very high94.6Very high3 Ų368.4 Ų68.42%0.01533%0.334CS..EExtended strand (participates in β ladder)trans-128.5154.5175.154.9161.3000109.7F170 G171 A173 Q252 H253F170-I239 WeakPolarHBondContact CA-O 3.33Å; G171-I239 PolarHBondContact N-O 3.12Å; G171-I239 WeakPolarHBondContact O-CG1 3.38Å; G171-I239 PolarHBondContact O-N 3.31Å; A173-I239 HydrophobicContact CB-CD1 4.03Å; A173-I239 HydrophobicContact CB-CG1 4.14Å; A173-I239 HydrophobicContact CB-CG2 3.69Å; I239-Q252 HydrophobicContact CB-CG 4.32Å; I239-Q252 HydrophobicContact CD1-CG 4.19Å; I239-Q252 VanDerWaalsContact CD1-OE1 3.28Å; I239-H253 CarbonylContact C-O 3.6Å; I239-H253 VanDerWaalsContact CA-O 3.27Å; I239-H253 WeakPolarHBondContact CA-O 3.3Å; I239-H253 WeakPolarHBondContact CB-O 3.33Å
240A98.5Very high94.5Very high0 Ų071 Ų710%035%0.347CS..EExtended strand (participates in β ladder)trans-116.8143170.300000109.4R169 F170 Q252 H253 C255 L259R169-A240 CarbonylContact O-C 3.55Å; R169-A240 WeakPolarHBondContact O-CA 3.14Å; F170-A240 HydrophobicContact CD1-CB 3.85Å; F170-A240 HydrophobicContact CE1-CB 3.82Å; A240-Q252 CarbonylContact O-C 3.58Å; A240-Q252 WeakPolarHBondContact O-CA 3.35Å; A240-H253 PolarHBondContact N-O 3Å; A240-H253 PolarHBondContact O-N 2.86Å; A240-C255 HydrophobicContact CB-CB 4.09Å; A240-L259 HydrophobicContact CB-CD1 3.6Å
241R98.4Very high94.6Very high89 Ų8972.5 Ų72.534%0.33636%0.357SS..EExtended strand (participates in β ladder)trans-117.2130.5172-63.9172.3-171.7140.44.4108.2L168 R169 W243 V251L168-R241 WeakPolarHBondContact CA-O 3.49Å; R169-R241 PolarHBondContact N-O 3.15Å; R169-R241 PolarHBondContact O-N 2.85Å; R241-W243 HydrophobicContact CB-CE3 4.42Å; R241-W243 HydrophobicContact CB-CH2 3.56Å; R241-W243 HydrophobicContact CB-CZ3 3.5Å; R241-W243 VanDerWaalsContact CB-CZ3 3.5Å; R241-W243 HydrophobicContact CG-CH2 4.47Å; R241-W243 WeakPolarHBondContact O-CZ3 3.29Å; R241-V251 WeakPolarHBondContact CA-O 3.46Å
242V98.6Very high94.7Very high0 Ų074.4 Ų74.40%037%0.366CS..EExtended strand (participates in β ladder)trans-121.1134.6-174.5-173.30000108.9L162 P165 T167 L168 Y244 Q250 V251L162-V242 HydrophobicContact CD1-CG1 4.21Å; L162-V242 HydrophobicContact CD1-CG2 3.84Å; L162-V242 HydrophobicContact CD2-CG2 4.24Å; P165-V242 HydrophobicContact CB-CG1 3.61Å; T167-V242 WeakPolarHBondContact O-CA 3.47Å; L168-V242 HydrophobicContact CD2-CG2 3.95Å; L168-V242 HydrophobicContact CG-CG2 4.32Å; V242-Y244 HydrophobicContact CG1-CE1 4.18Å; V242-Y244 HydrophobicContact CG1-CE2 4.03Å; V242-Q250 WeakPolarHBondContact O-CA 3.27Å; V242-V251 PolarHBondContact N-O 2.84Å; V242-V251 PolarHBondContact O-N 3.15Å
243W98.3Very high94.9Very high70 Ų7070.4 Ų70.427%0.26535%0.353SS..EExtended strand (participates in β ladder)trans-117.3143.9170-69-100.6000109.6A166 T167 R169 R241 Q250A166-W243 PolarHBondContact N-O 2.88Å; T167-W243 HydrophobicContact CG2-CE3 4.3Å; T167-W243 PolarHBondContact N-O 3.45Å; T167-W243 PolarHBondContact O-N 2.85Å; R169-W243 HydrophobicContact CB-CH2 4.38Å; R169-W243 HydrophobicContact CB-CZ3 3.95Å; R169-W243 HydrophobicContact CG-CH2 4.18Å; R169-W243 HydrophobicContact CG-CZ3 3.72Å; R241-W243 HydrophobicContact CB-CE3 4.42Å; R241-W243 HydrophobicContact CB-CH2 3.56Å; R241-W243 HydrophobicContact CB-CZ3 3.5Å; R241-W243 VanDerWaalsContact CB-CZ3 3.5Å; R241-W243 HydrophobicContact CG-CH2 4.47Å; R241-W243 WeakPolarHBondContact O-CZ3 3.29Å; W243-Q250 HydrophobicContact CD2-CB 4.15Å; W243-Q250 HydrophobicContact CH2-CB 4.46Å; W243-Q250 HydrophobicContact CZ2-CB 3.77Å; W243-Q250 HydrophobicContact CZ2-CG 4.38Å; W243-Q250 VanDerWaalsContact CZ2-OE1 3.25Å
244Y97.3Very high95.2Very high66 Ų6669 Ų6926%0.25935%0.348SS..EExtended strand (participates in β ladder)trans-110.3151.8176.2-60.1-82.6000109.8H163 P165 V242 G246 D247 V251H163-Y244 VanDerWaalsContact O-CE1 3.26Å; H163-Y244 WeakPolarHBondContact O-CE1 3.48Å; P165-Y244 HydrophobicContact CB-CE1 4.35Å; V242-Y244 HydrophobicContact CG1-CE1 4.18Å; V242-Y244 HydrophobicContact CG1-CE2 4.03Å; Y244-G246 PolarHBondContact O-N 2.73Å; Y244-D247 PolarHBondContact O-N 3.4Å; Y244-D247 VanDerWaalsContact O-N 3.07Å; Y244-V251 HydrophobicContact CE2-CG2 4.02Å
245K92.8Very high95.6Very high193 Ų19367.7 Ų67.784%0.83934%0.341SS*.THydrogen-bonded Turntrans-60.8126.9-178.1-172.9178.4179.5-1780110.1D247K245-D247 VanDerWaalsContact C-N 3.26Å; K245-D247 PolarHBondContact O-N 2.95Å
246G91.7Very high96Very high89 Ų8964.1 Ų64.192%0.91833%0.328SS*.THydrogen-bonded Turntrans80.1-2.2-179.300000115.1Y244Y244-G246 PolarHBondContact O-N 2.73Å
247D91.6Very high96.2Very high79 Ų7964.5 Ų64.542%0.42233%0.33SS..  trans-110.6121.9175.8-168-7000110.9Y244 K245 K249Y244-D247 PolarHBondContact O-N 3.4Å; Y244-D247 VanDerWaalsContact O-N 3.07Å; K245-D247 VanDerWaalsContact C-N 3.26Å; K245-D247 PolarHBondContact O-N 2.95Å; D247-K249 VanDerWaalsContact C-N 3.32Å; D247-K249 VanDerWaalsContact OD1-CB 3.3Å; D247-K249 WeakPolarHBondContact OD1-CB 3.48Å; D247-K249 PolarHBondContact OD1-N 2.88Å
248Q88.9Confident96.3Very high188 Ų18862.1 Ų62.188%0.87932%0.319SS*.  trans-77.8-19.5175.7-66.9-158.2-19.100112.9Q250Q248-Q250 PolarHBondContact O-N 2.77Å
249K94.7Very high96.4Very high157 Ų15762 Ų6268%0.68332%0.318SS*.  trans-79.3115.8-176.7-172.2176.2178.1-179.40110.4D247D247-K249 VanDerWaalsContact C-N 3.32Å; D247-K249 VanDerWaalsContact OD1-CB 3.3Å; D247-K249 WeakPolarHBondContact OD1-CB 3.48Å; D247-K249 PolarHBondContact OD1-N 2.88Å
250Q94.8Very high96.4Very high85 Ų8561.9 Ų61.940%0.39732%0.318SS..  trans-72.6143.117158.5172.173.700112.1V242 W243 Q248V242-Q250 WeakPolarHBondContact O-CA 3.27Å; W243-Q250 HydrophobicContact CD2-CB 4.15Å; W243-Q250 HydrophobicContact CH2-CB 4.46Å; W243-Q250 HydrophobicContact CZ2-CB 3.77Å; W243-Q250 HydrophobicContact CZ2-CG 4.38Å; W243-Q250 VanDerWaalsContact CZ2-OE1 3.25Å; Q248-Q250 PolarHBondContact O-N 2.77Å
251V97.6Very high96.4Very high57 Ų5761.9 Ų61.935%0.34532%0.318SS..EExtended strand (participates in β ladder)trans-102.9132.4167.4-174.80000109.1R241 V242 Y244 H253R241-V251 WeakPolarHBondContact CA-O 3.46Å; V242-V251 PolarHBondContact N-O 2.84Å; V242-V251 PolarHBondContact O-N 3.15Å; Y244-V251 HydrophobicContact CE2-CG2 4.02Å; V251-H253 WeakPolarHBondContact CG1-NE2 3.36Å
252Q97.4Very high96.5Very high87 Ų8757.7 Ų57.741%0.40730%0.302SS..EExtended strand (participates in β ladder)trans-107.9124.6179.1-174.8-172.1-98.500111I239 A240I239-Q252 HydrophobicContact CB-CG 4.32Å; I239-Q252 HydrophobicContact CD1-CG 4.19Å; I239-Q252 VanDerWaalsContact CD1-OE1 3.28Å; A240-Q252 CarbonylContact O-C 3.58Å; A240-Q252 WeakPolarHBondContact O-CA 3.35Å
253H97.9Very high96.4Very high42 Ų4257.9 Ų57.919%0.19430%0.303CS..EExtended strand (participates in β ladder)trans-108.5141.9173.5-61.2-87.7000110.6I239 A240 V251 L259I239-H253 CarbonylContact C-O 3.6Å; I239-H253 VanDerWaalsContact CA-O 3.27Å; I239-H253 WeakPolarHBondContact CA-O 3.3Å; I239-H253 WeakPolarHBondContact CB-O 3.33Å; A240-H253 PolarHBondContact N-O 3Å; A240-H253 PolarHBondContact O-N 2.86Å; V251-H253 WeakPolarHBondContact CG1-NE2 3.36Å; H253-L259 HydrophobicContact CB-CD2 4.47Å
254A96.4Very high96.4Very high55 Ų5554.5 Ų54.546%0.45529%0.29SS..EExtended strand (participates in β ladder)trans-64.7137.1155.300000107.6P256A254-P256 VanDerWaalsContact O-CD 3.29Å; A254-P256 WeakPolarHBondContact O-CD 3.47Å
255C98Very high96.4Very high1 Ų158 Ų581%0.00730%0.303CS..  trans-122.559.4-173.8-161.70000111.4P95 G96 P238 A240 T257P95-C255 WeakPolarHBondContact CA-O 3.44Å; P95-C255 HydrophobicContact CB-CB 4.2Å; P95-C255 WeakPolarHBondContact CB-O 3.32Å; G96-C255 PolarHBondContact N-SG 2.95Å; G96-C255 VanDerWaalsContact N-SG 3.41Å; P238-C255 WeakPolarHBondContact CG-O 3.46Å; P238-C255 PolarHBondContact O-N 3.42Å; A240-C255 HydrophobicContact CB-CB 4.09Å; C255-T257 VanDerWaalsContact C-N 3.28Å; C255-T257 PolarHBondContact SG-O 2.83Å
256P97.3Very high96.5Very high27 Ų2752.9 Ų52.918%0.17528%0.284CS..SBendtrans-72.8-25174.332.7-35.3000112.2H73 R93 L94 R157 A254H73-P256 PolarHBondContact NE2-O 2.88Å; R93-P256 CarbonylContact C-O 3.58Å; R93-P256 WeakPolarHBondContact CA-O 3.43Å; R93-P256 HydrophobicContact CG-CB 4.06Å; L94-P256 PolarHBondContact N-O 2.72Å; R157-P256 HydrophobicContact CG-CG 4.46Å; A254-P256 VanDerWaalsContact O-CD 3.29Å; A254-P256 WeakPolarHBondContact O-CD 3.47Å
257T98.2Very high96.7Very high14 Ų1453.2 Ų53.29%0.08627%0.265CS..SBendtrans-123.1155.9178.353.50000108.9L94 C255 L259L94-T257 CarbonylContact O-C 3.57Å; L94-T257 VanDerWaalsContact O-C 3.31Å; C255-T257 VanDerWaalsContact C-N 3.28Å; C255-T257 PolarHBondContact SG-O 2.83Å; T257-L259 PolarHBondContact O-N 3.19Å
258P98.7Very high96.7Very high0 Ų052.3 Ų52.30%027%0.274CS..  trans-60.8138.1174.6-24.335.9000111.2V38 A70 F74 L94 G96V38-P258 HydrophobicContact CG1-CB 4.01Å; V38-P258 HydrophobicContact CG1-CG 3.92Å; A70-P258 HydrophobicContact CB-CB 4.03Å; A70-P258 HydrophobicContact CB-CG 3.64Å; F74-P258 HydrophobicContact CE1-CB 4.49Å; F74-P258 WeakPolarHBondContact CE1-O 3.35Å; F74-P258 HydrophobicContact CZ-CB 4.19Å; F74-P258 WeakPolarHBondContact CZ-O 3.49Å; L94-P258 HydrophobicContact CB-CG 4.33Å; L94-P258 HydrophobicContact CD2-CG 3.88Å; L94-P258 HydrophobicContact CG-CG 4Å; L94-P258 WeakPolarHBondContact O-CD 3.35Å; L94-P258 VanDerWaalsContact O-CG 3.22Å; L94-P258 WeakPolarHBondContact O-CG 3.41Å; L94-P258 VanDerWaalsContact O-N 3.08Å; G96-P258 WeakPolarHBondContact O-CA 3.21Å
259L98.8Very high96.8Very high1 Ų144.7 Ų44.71%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-75.1153.3171.6-55179.1000110G96 V97 L98 T160 L162 L168 A240 H253 T257G96-L259 PolarHBondContact O-N 3.32Å; V97-L259 CarbonylContact C-O 3.51Å; V97-L259 VanDerWaalsContact CA-O 3.3Å; V97-L259 WeakPolarHBondContact CA-O 3.47Å; V97-L259 HydrophobicContact CB-CB 4.25Å; V97-L259 HydrophobicContact CG2-CB 4.03Å; L98-L259 PolarHBondContact N-O 3.44Å; T160-L259 HydrophobicContact CG2-CD2 3.74Å; L162-L259 HydrophobicContact CD1-CB 4.2Å; L162-L259 HydrophobicContact CD1-CD1 3.96Å; L168-L259 HydrophobicContact CD2-CD1 3.95Å; A240-L259 HydrophobicContact CB-CD1 3.6Å; H253-L259 HydrophobicContact CB-CD2 4.47Å; T257-L259 PolarHBondContact O-N 3.19Å
260I98.8Very high96.8Very high0 Ų039.8 Ų39.80%024%0.238CC..EExtended strand (participates in β ladder)trans-114.4105.5178.2-59.7165.8000107.4F24 L28 F74 I114 L159 T160 V161 L162 L262F24-I260 HydrophobicContact CE1-CD1 3.74Å; F24-I260 HydrophobicContact CZ-CD1 3.78Å; L28-I260 HydrophobicContact CD1-CG2 3.77Å; F74-I260 HydrophobicContact CE2-CD1 4.13Å; F74-I260 HydrophobicContact CE2-CG1 4.42Å; F74-I260 HydrophobicContact CZ-CD1 3.96Å; F74-I260 HydrophobicContact CZ-CG1 4.03Å; I114-I260 HydrophobicContact CD1-CD1 4.3Å; I114-I260 HydrophobicContact CD1-CG2 4.34Å; L159-I260 HydrophobicContact CB-CD1 4.38Å; L159-I260 HydrophobicContact CD2-CD1 4.33Å; T160-I260 PolarHBondContact O-N 3.37Å; V161-I260 CarbonylContact C-O 3.58Å; V161-I260 VanDerWaalsContact CA-O 3.28Å; V161-I260 WeakPolarHBondContact CA-O 3.45Å; L162-I260 PolarHBondContact N-O 2.94Å; I260-L262 HydrophobicContact CG2-CD2 3.91Å
261A98.8Very high96.9Very high0 Ų040.1 Ų40.10%025%0.246CC..EExtended strand (participates in β ladder)trans-96.1122.6176.100000109.7V97 L98 C99 Y100 L162 P165 I263V97-A261 HydrophobicContact CG2-CB 3.81Å; L98-A261 PolarHBondContact O-N 3.47Å; C99-A261 CarbonylContact C-O 3.5Å; C99-A261 WeakPolarHBondContact CA-O 3.43Å; C99-A261 HydrophobicContact CB-CB 4.35Å; Y100-A261 PolarHBondContact N-O 2.94Å; L162-A261 HydrophobicContact CB-CB 4.3Å; L162-A261 WeakPolarHBondContact O-CA 3.39Å; P165-A261 HydrophobicContact CG-CB 3.68Å; A261-I263 HydrophobicContact CB-CD1 4.26Å
262L98.7Very high96.9Very high0 Ų037.8 Ų37.80%023%0.231CC..EExtended strand (participates in β ladder)trans-101.1118.8174.7-54.4-176.3000107.8V102 Q107 L110 V111 V161 L162 D164 I260V102-L262 HydrophobicContact CG1-CB 4.28Å; V102-L262 HydrophobicContact CG1-CD2 4.07Å; V102-L262 HydrophobicContact CG2-CB 3.91Å; Q107-L262 HydrophobicContact CG-CD1 4.22Å; L110-L262 HydrophobicContact CB-CD1 4.04Å; L110-L262 HydrophobicContact CD1-CD1 4.42Å; L110-L262 HydrophobicContact CD1-CD2 3.95Å; V111-L262 HydrophobicContact CG2-CD1 3.84Å; V161-L262 HydrophobicContact CG2-CD1 3.79Å; V161-L262 HydrophobicContact CG2-CG 3.94Å; L162-L262 PolarHBondContact O-N 3.17Å; D164-L262 PolarHBondContact N-O 3.07Å; I260-L262 HydrophobicContact CG2-CD2 3.91Å
263I98.5Very high96.9Very high4 Ų437.5 Ų37.52%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-106.3101.4-176.4-47-54.1000107.8L34 C99 Y100 Q101 V102 D164 P165 A261 R265 A269 P272L34-I263 HydrophobicContact CD1-CB 3.69Å; L34-I263 HydrophobicContact CD1-CG1 3.79Å; L34-I263 HydrophobicContact CD1-CG2 3.94Å; C99-I263 HydrophobicContact CB-CG1 4.3Å; Y100-I263 PolarHBondContact O-N 3.21Å; Q101-I263 WeakPolarHBondContact CA-O 3.28Å; V102-I263 PolarHBondContact N-O 3.46Å; D164-I263 WeakPolarHBondContact OD1-CA 3.4Å; P165-I263 HydrophobicContact CG-CD1 4.29Å; A261-I263 HydrophobicContact CB-CD1 4.26Å; I263-R265 PolarHBondContact O-N 2.8Å; I263-A269 HydrophobicContact CG2-CB 3.81Å; I263-P272 HydrophobicContact CD1-CG 3.43Å; I263-P272 VanDerWaalsContact CD1-CG 3.43Å; I263-P272 HydrophobicContact CG1-CG 4.22Å
264N98.1Very high97Very high0 Ų036.2 Ų36.20%023%0.228CC..EExtended strand (participates in β ladder)trans-83.9113.5-172.9-169.9-15.5000111.2V102 D103 N104 Q107 D164 D266 N267 A269V102-N264 HydrophobicContact CG2-CB 4.04Å; V102-N264 WeakPolarHBondContact O-CA 3.3Å; D103-N264 WeakPolarHBondContact CA-OD1 3.34Å; N104-N264 PolarHBondContact OD1-ND2 3.03Å; Q107-N264 PolarHBondContact NE2-ND2 3.24Å; D164-N264 PolarHBondContact OD1-N 3.25Å; N264-D266 PolarHBondContact O-N 2.97Å; N264-D266 WeakPolarHBondContact OD1-CB 3.47Å; N264-D266 PolarHBondContact OD1-N 2.89Å; N264-N267 HydrophobicContact CB-CB 4.34Å; N264-N267 PolarHBondContact O-N 2.77Å; N264-A269 WeakPolarHBondContact O-CB 3.3Å; N264-A269 PolarHBondContact O-N 3.38Å
265R95.8Very high97.1Very high140 Ų14034.1 Ų34.153%0.52821%0.212SC..G310 helixtrans-63.6-30.3178.868.6-175.6163.1-178.7-9.8112.9V102 D103 I263 N267 G268V102-R265 WeakPolarHBondContact O-CG 3.31Å; V102-R265 PolarHBondContact O-N 3.07Å; D103-R265 HydrophobicContact CB-CG 4.44Å; D103-R265 IonicContact OD2-CZ 3.36Å; D103-R265 IonicContact OD2-NH2 2.88Å; D103-R265 PolarHBondContact OD2-NH2 2.68Å; I263-R265 PolarHBondContact O-N 2.8Å; R265-N267 PolarHBondContact O-N 2.93Å; R265-G268 PolarHBondContact O-N 3.27Å
266D96.5Very high97.1Very high84 Ų8438.6 Ų38.645%0.44923%0.232SC..G310 helixtrans-70-24.2-178.7-58.3-22.3000111.2D103 N104 N264 G268D103-D266 WeakPolarHBondContact CB-OD2 3.38Å; N104-D266 WeakPolarHBondContact CB-OD2 3.19Å; N104-D266 PolarHBondContact N-OD2 2.95Å; N104-D266 WeakPolarHBondContact ND2-CB 3.43Å; N104-D266 PolarHBondContact ND2-OD2 2.95Å; N104-D266 VanDerWaalsContact ND2-OD2 3.08Å; N264-D266 PolarHBondContact O-N 2.97Å; N264-D266 WeakPolarHBondContact OD1-CB 3.47Å; N264-D266 PolarHBondContact OD1-N 2.89Å; D266-G268 VanDerWaalsContact C-N 3.29Å
267N95Very high97.1Very high96 Ų9637.5 Ų37.551%0.51323%0.225SC..G310 helixtrans-83.7-4.3172.7-66.8-14000112.9D164 N264 R265 A269D164-N267 PolarHBondContact OD2-ND2 2.99Å; N264-N267 HydrophobicContact CB-CB 4.34Å; N264-N267 PolarHBondContact O-N 2.77Å; R265-N267 PolarHBondContact O-N 2.93Å; N267-A269 PolarHBondContact O-N 3.29Å
268G91.1Very high97.1Very high60 Ų6042.4 Ų42.462%0.61925%0.25SS*.THydrogen-bonded Turntrans61.329.9-169.700000112.7R265 D266 G270R265-G268 PolarHBondContact O-N 3.27Å; D266-G268 VanDerWaalsContact C-N 3.29Å; G268-G270 PolarHBondContact O-N 2.99Å
269A91.9Very high97Very high28 Ų2846.6 Ų46.623%0.23127%0.273CS..PPolyproline II helixtrans-66131.7-178.700000111D164 I263 N264 N267D164-A269 HydrophobicContact CB-CB 3.89Å; D164-A269 VanDerWaalsContact CG-CB 3.48Å; D164-A269 VanDerWaalsContact OD1-CB 3.22Å; D164-A269 WeakPolarHBondContact OD1-CB 3.44Å; I263-A269 HydrophobicContact CG2-CB 3.81Å; N264-A269 WeakPolarHBondContact O-CB 3.3Å; N264-A269 PolarHBondContact O-N 3.38Å; N267-A269 PolarHBondContact O-N 3.29Å
270G94.1Very high97Very high55 Ų5547.4 Ų47.457%0.56728%0.276SS*.PPolyproline II helixtrans-76.3160.9176.600000112.2G268G268-G270 PolarHBondContact O-N 2.99Å
271V97Very high96.9Very high92 Ų9249.4 Ų49.456%0.55829%0.287SS*.PPolyproline II helixtrans-63.3129170.1-177.10000108.8L34 V35L34-V271 HydrophobicContact CB-CG1 4.45Å; L34-V271 HydrophobicContact CD1-CG2 4.45Å; V35-V271 HydrophobicContact CG2-CG1 3.39Å
272P97.8Very high96.6Very high7 Ų750.9 Ų50.95%0.04530%0.298CS..PPolyproline II helixtrans-64.5144.3-178.9-18.629.1000112.3P165 A166 L168 I263 V274P165-P272 HydrophobicContact CG-CG 4.12Å; P165-P272 VanDerWaalsContact O-CB 3.31Å; P165-P272 WeakPolarHBondContact O-CB 3.45Å; P165-P272 VanDerWaalsContact O-CG 3.26Å; P165-P272 WeakPolarHBondContact O-CG 3.38Å; A166-P272 WeakPolarHBondContact O-CA 3.38Å; L168-P272 HydrophobicContact CD1-CB 4.11Å; I263-P272 HydrophobicContact CD1-CG 3.43Å; I263-P272 VanDerWaalsContact CD1-CG 3.43Å; I263-P272 HydrophobicContact CG1-CG 4.22Å; P272-V274 HydrophobicContact CB-CG2 4.1Å; P272-V274 PolarHBondContact O-N 3.4Å
273D98.2Very high96.4Very high81 Ų8157.3 Ų57.343%0.43333%0.333SS..EExtended strand (participates in β ladder)trans-76.3106.9164.7172.30.3000109.4A166 T167 L168 R169A166-D273 PolarHBondContact O-N 3.44Å; T167-D273 CarbonylContact C-O 3.6Å; T167-D273 WeakPolarHBondContact CA-O 3.44Å; T167-D273 HydrophobicContact CG2-CB 4.28Å; L168-D273 PolarHBondContact N-O 2.98Å; R169-D273 IonicContact CZ-OD1 3.49Å; R169-D273 IonicContact CZ-OD2 3.19Å; R169-D273 VanDerWaalsContact NH1-CG 3.27Å; R169-D273 PolarHBondContact NH1-O 3.46Å; R169-D273 IonicContact NH1-OD1 3.89Å; R169-D273 PolarHBondContact NH1-OD1 3.31Å; R169-D273 IonicContact NH1-OD2 2.72Å; R169-D273 PolarHBondContact NH1-OD2 3.17Å; R169-D273 IonicContact NH2-OD1 2.7Å; R169-D273 PolarHBondContact NH2-OD1 3.17Å; R169-D273 IonicContact NH2-OD2 3.64Å; R169-D273 PolarHBondContact NH2-OD2 2.98Å
274V98.7Very high96.2Very high15 Ų1561.7 Ų61.79%0.09136%0.357CS..EExtended strand (participates in β ladder)trans-105.1104.6-176.6-1750000111.3V35 R37 V97 L168 F170 P272V35-V274 HydrophobicContact CB-CG2 4.46Å; V35-V274 HydrophobicContact CG1-CB 4.12Å; V35-V274 HydrophobicContact CG1-CG2 3.94Å; R37-V274 HydrophobicContact CB-CG1 4.03Å; R37-V274 PolarHBondContact NH1-O 3.07Å; V97-V274 HydrophobicContact CG1-CB 4.47Å; V97-V274 HydrophobicContact CG1-CG1 3.54Å; V97-V274 HydrophobicContact CG1-CG2 4.01Å; L168-V274 HydrophobicContact CD1-CG2 4.22Å; F170-V274 HydrophobicContact CE2-CG1 3.88Å; F170-V274 HydrophobicContact CZ-CG1 4.49Å; P272-V274 HydrophobicContact CB-CG2 4.1Å; P272-V274 PolarHBondContact O-N 3.4Å
275G98.2Very high95.8Very high11 Ų1164.3 Ų64.311%0.11337%0.372CS..  trans-71.2176.3174.800000113.1L168 F170L168-G275 PolarHBondContact O-N 2.83Å; F170-G275 VanDerWaalsContact CD2-O 3.31Å; F170-G275 WeakPolarHBondContact CD2-O 3.41Å; F170-G275 WeakPolarHBondContact CE2-O 3.43Å
276E98.1Very high95.3Very high95 Ų9565.1 Ų65.144%0.44438%0.382SS..  trans-97.6166.4178.270.7-164.1158.500113.8R37 F39 L278R37-E276 VanDerWaalsContact CZ-CB 3.47Å; R37-E276 IonicContact NH2-OE2 3.24Å; R37-E276 PolarHBondContact NH2-OE2 2.93Å; F39-E276 HydrophobicContact CE1-CB 4.11Å; F39-E276 HydrophobicContact CZ-CB 4.32Å; E276-L278 HydrophobicContact CG-CD2 3.73Å; E276-L278 HydrophobicContact CG-CG 4.22Å; E276-L278 WeakPolarHBondContact OE1-CD2 3.41Å
277L98.4Very high94.7Very high5 Ų566 Ų663%0.02638%0.383CS..  trans-99.7110.4161.9179.960000107.5F39 V58 P95 F170 W172 P238F39-L277 HydrophobicContact CB-CB 4.28Å; F39-L277 HydrophobicContact CB-CD2 4.07Å; F39-L277 HydrophobicContact CD1-CB 3.84Å; F39-L277 HydrophobicContact CD2-CB 3.5Å; F39-L277 VanDerWaalsContact CD2-CB 3.5Å; F39-L277 HydrophobicContact CD2-CD2 4.14Å; F39-L277 HydrophobicContact CD2-CG 4.49Å; F39-L277 HydrophobicContact CE1-CB 4.02Å; F39-L277 VanDerWaalsContact CE1-N 3.28Å; F39-L277 HydrophobicContact CE2-CB 3.71Å; F39-L277 HydrophobicContact CG-CB 3.59Å; F39-L277 HydrophobicContact CG-CD2 4.2Å; F39-L277 HydrophobicContact CG-CG 4.48Å; F39-L277 HydrophobicContact CZ-CB 3.96Å; V58-L277 HydrophobicContact CG1-CD2 4.18Å; V58-L277 HydrophobicContact CG2-CG 4.49Å; V58-L277 WeakPolarHBondContact CG2-O 3.32Å; P95-L277 HydrophobicContact CB-CD2 4.15Å; P95-L277 HydrophobicContact CG-CD2 3.49Å; P95-L277 VanDerWaalsContact CG-CD2 3.49Å; F170-L277 HydrophobicContact CB-CB 3.78Å; F170-L277 HydrophobicContact CB-CD1 4.02Å; F170-L277 HydrophobicContact CB-CG 4.44Å; W172-L277 HydrophobicContact CD2-CD1 4.23Å; W172-L277 HydrophobicContact CG-CD1 4.48Å; W172-L277 HydrophobicContact CH2-CD2 4.03Å; W172-L277 HydrophobicContact CZ2-CD1 4.07Å; W172-L277 HydrophobicContact CZ2-CD2 3.73Å; W172-L277 HydrophobicContact CZ2-CG 3.94Å; P238-L277 HydrophobicContact CB-CD2 4.29Å
278L97.6Very high94.2Very high116 Ų11673.8 Ų73.861%0.60741%0.405SS*.PPolyproline II helixtrans-71.7158.9172.7-62177.9000110.7W172 E276W172-L278 PolarHBondContact NE1-O 3.39Å; E276-L278 HydrophobicContact CG-CD2 3.73Å; E276-L278 HydrophobicContact CG-CG 4.22Å; E276-L278 WeakPolarHBondContact OE1-CD2 3.41Å
279N97.8Very high93.8Very high89 Ų8980.2 Ų80.248%0.47641%0.412SS..PPolyproline II helixtrans-54.4143.8172.1-68.5-17.7000110.9I56 E57 V58I56-N279 CarbonylContact O-C 3.55Å; I56-N279 VanDerWaalsContact O-CA 3.28Å; I56-N279 WeakPolarHBondContact O-CA 3.42Å; I56-N279 WeakPolarHBondContact O-CB 3.39Å; E57-N279 WeakPolarHBondContact CA-OD1 3.46Å; V58-N279 WeakPolarHBondContact CG2-OD1 3.5Å; V58-N279 PolarHBondContact N-OD1 2.92Å
280Y97.6Very high93.6Very high17 Ų1785.9 Ų85.97%0.06743%0.432CS..EExtended strand (participates in β ladder)trans-78.7134.8173.8-177.5-117.7000109.9L53 R55 I56 W172 N174 V236 A282 V285L53-Y280 WeakPolarHBondContact O-CE1 3.43Å; R55-Y280 VanDerWaalsContact CA-O 3.22Å; R55-Y280 WeakPolarHBondContact CA-O 3.42Å; I56-Y280 HydrophobicContact CD1-CD1 4.19Å; I56-Y280 HydrophobicContact CD1-CG 4.45Å; I56-Y280 HydrophobicContact CG1-CD1 4.1Å; I56-Y280 HydrophobicContact CG1-CG 4.47Å; I56-Y280 PolarHBondContact N-O 3.47Å; I56-Y280 VanDerWaalsContact N-O 3.09Å; I56-Y280 PolarHBondContact O-N 2.85Å; W172-Y280 HydrophobicContact CB-CD2 3.59Å; W172-Y280 HydrophobicContact CB-CE2 4.03Å; W172-Y280 AromaticContact CD1-CD2 3.72Å; W172-Y280 HydrophobicContact CD2-CD2 4.17Å; W172-Y280 HydrophobicContact CD2-CG 4.27Å; W172-Y280 AromaticContact CG-CD2 3.53Å; W172-Y280 HydrophobicContact CG-CD2 3.53Å; W172-Y280 HydrophobicContact CG-CE2 4.43Å; W172-Y280 HydrophobicContact CG-CG 4.08Å; N174-Y280 PolarHBondContact ND2-OH 2.86Å; N174-Y280 PolarHBondContact OD1-OH 3.47Å; V236-Y280 HydrophobicContact CB-CE1 4.15Å; V236-Y280 HydrophobicContact CB-CE2 4.49Å; V236-Y280 HydrophobicContact CG1-CD1 4.05Å; V236-Y280 HydrophobicContact CG1-CE1 3.94Å; V236-Y280 HydrophobicContact CG2-CD1 4.32Å; V236-Y280 HydrophobicContact CG2-CD2 3.89Å; V236-Y280 HydrophobicContact CG2-CE1 4.07Å; V236-Y280 HydrophobicContact CG2-CE2 3.62Å; V236-Y280 HydrophobicContact CG2-CG 4.23Å; Y280-A282 HydrophobicContact CE1-CB 3.74Å; Y280-A282 WeakPolarHBondContact OH-CA 3.48Å; Y280-A282 WeakPolarHBondContact OH-CB 3.5Å; Y280-V285 HydrophobicContact CE2-CG2 4.25Å
281D96.2Very high93.3Very high43 Ų4387.1 Ų87.123%0.2343%0.43CS..EExtended strand (participates in β ladder)trans-135.3111.2166.5-168.8-14.5000108.6R55 D283 N284R55-D281 IonicContact CZ-OD2 3.5Å; R55-D281 IonicContact NE-OD1 3.55Å; R55-D281 IonicContact NE-OD2 3.69Å; R55-D281 IonicContact NH2-OD2 2.7Å; D281-D283 PolarHBondContact O-N 3.35Å; D281-D283 PolarHBondContact OD1-N 3.22Å; D281-D283 VanDerWaalsContact OD1-N 3.14Å; D281-N284 HydrophobicContact CB-CB 4.12Å; D281-N284 PolarHBondContact O-N 3.02Å
282A94.2Very high92.8Very high30 Ų3091.9 Ų91.925%0.24845%0.446CS..G310 helixtrans-63.8-29-178.100000112.6N54 Y280 N284N54-A282 HydrophobicContact CB-CB 4.43Å; N54-A282 WeakPolarHBondContact O-CB 3.49Å; N54-A282 PolarHBondContact O-N 3.03Å; Y280-A282 HydrophobicContact CE1-CB 3.74Å; Y280-A282 WeakPolarHBondContact OH-CA 3.48Å; Y280-A282 WeakPolarHBondContact OH-CB 3.5Å; A282-N284 VanDerWaalsContact C-N 3.34Å
283D93.6Very high92.2Very high136 Ų13694.6 Ų94.673%0.72747%0.469SS*.G310 helixtrans-86.9-9.6-177-60.7-33.3000112D281D281-D283 PolarHBondContact O-N 3.35Å; D281-D283 PolarHBondContact OD1-N 3.22Å; D281-D283 VanDerWaalsContact OD1-N 3.14Å
284N93.6Very high91.7Very high96 Ų9695.3 Ų95.351%0.51347%0.47SS..G310 helixtrans-12639.7-177.9-167.315.7000112.7D281 A282 Q286D281-N284 HydrophobicContact CB-CB 4.12Å; D281-N284 PolarHBondContact O-N 3.02Å; A282-N284 VanDerWaalsContact C-N 3.34Å; N284-Q286 PolarHBondContact O-N 2.97Å; N284-Q286 PolarHBondContact OD1-NE2 2.86Å
285V90Very high91.3Very high55 Ų5598.7 Ų98.733%0.33349%0.492SS..  trans-74.4108.2177.5-178.80000110.7Y280 H287Y280-V285 HydrophobicContact CE2-CG2 4.25Å; V285-H287 PolarHBondContact O-CD2 2.98Å; V285-H287 PolarHBondContact O-N 3.19Å; V285-H287 VanDerWaalsContact O-N 3.16Å
286Q85.8Confident91.1Very high157 Ų157100.1 Ų100.173%0.73450%0.497SS*.  trans-75.7101.3178.7-64.6-64.8-23.900111.8N284N284-Q286 PolarHBondContact O-N 2.97Å; N284-Q286 PolarHBondContact OD1-NE2 2.86Å
287H83.9Confident91Very high101 Ų101102 Ų10247%0.46850%0.5SS..  trans-91.7108.7178.5-68.6-68.9000111.4V285 K290V285-H287 PolarHBondContact O-CD2 2.98Å; V285-H287 PolarHBondContact O-N 3.19Å; V285-H287 VanDerWaalsContact O-N 3.16Å; H287-K290 HydrophobicContact CB-CB 4.17Å; H287-K290 PolarHBondContact NE2-NZ 3.44Å; H287-K290 VanDerWaalsContact NE2-NZ 3.11Å
288R83.5Confident90.9Very high260 Ų260105.5 Ų105.598%0.98152%0.518SS*.SBendtrans-71-41.9169.2-68.4-173.5-179.2-178-1.4112.4
289Y84.2Confident90.8Very high195 Ų195101.4 Ų101.477%0.76550%0.497SS*.  trans-145.3124.7177.4-178.8-116.1000108.7P291Y289-P291 HydrophobicContact CE1-CB 4.26Å; Y289-P291 HydrophobicContact CE1-CG 4.1Å
290K86.7Confident90.8Very high147 Ų14797.2 Ų97.264%0.63947%0.474SS*.  trans-138.792.4178.7-173.1-178.7-170.7169.40107.9H287H287-K290 HydrophobicContact CB-CB 4.17Å; H287-K290 PolarHBondContact NE2-NZ 3.44Å; H287-K290 VanDerWaalsContact NE2-NZ 3.11Å
291P88.1Confident90.7Very high82 Ų82100.3 Ų100.353%0.53250%0.496SS..PPolyproline II helixtrans-62.7149.1178.326.9-33.1000109.7Y289 A293Y289-P291 HydrophobicContact CE1-CB 4.26Å; Y289-P291 HydrophobicContact CE1-CG 4.1Å; P291-A293 PolarHBondContact O-N 3.32Å
292Q86Confident90.5Very high192 Ų192102.3 Ų102.390%0.89750%0.501SS*.PPolyproline II helixtrans-64.2130.4174.1-160.5169.511.900108.9
293A85.1Confident90.5Very high64 Ų64102.2 Ų102.253%0.52950%0.496SS..PPolyproline II helixtrans-69.8147.5176.500000109.6P291P291-A293 PolarHBondContact O-N 3.32Å
294Q88Confident90.7Very high96 Ų9699.3 Ų99.345%0.44948%0.478SS..PPolyproline II helixtrans-48.6134.2168.9-172.7-175.210.300109.4L296Q294-L296 PolarHBondContact O-N 3Å
295P91.6Very high90.8Very high86 Ų8694.8 Ų94.856%0.55845%0.454SS*.PPolyproline II helixtrans-59.6136.4173.526-33.8000109.5
296L93.7Very high91.2Very high40 Ų4094.6 Ų94.621%0.20945%0.447CS..EExtended strand (participates in β ladder)trans-140.5125.8-176.9-71.1178.6000107.9K229 K231 Q294 Y306 V307 A308K229-L296 HydrophobicContact CD-CD1 4.11Å; K229-L296 HydrophobicContact CD-CD2 3.93Å; K229-L296 HydrophobicContact CG-CD2 4.32Å; K231-L296 HydrophobicContact CD-CD1 3.67Å; Q294-L296 PolarHBondContact O-N 3Å; L296-Y306 HydrophobicContact CB-CD1 3.71Å; L296-Y306 HydrophobicContact CB-CG 4.04Å; L296-Y306 HydrophobicContact CD1-CG 4.31Å; L296-V307 WeakPolarHBondContact CA-O 3.39Å; L296-A308 HydrophobicContact CD2-CB 3.67Å
297R95.7Very high91.7Very high136 Ų13687.7 Ų87.751%0.51342%0.416SS..EExtended strand (participates in β ladder)trans-94.4125.2173.7-176.3167.657.585.5-2.6109.8Y306 V307R297-Y306 CarbonylContact O-C 3.57Å; R297-Y306 VanDerWaalsContact O-CA 3.24Å; R297-Y306 WeakPolarHBondContact O-CA 3.39Å; R297-V307 HydrophobicContact CB-CG1 3.94Å; R297-V307 PolarHBondContact N-O 3.24Å; R297-V307 PolarHBondContact O-N 3.19Å
298L96.5Very high92.1Very high78 Ų7883.2 Ų83.241%0.40840%0.396SS..EExtended strand (participates in β ladder)trans-71128.8177.5-175.565.5000109.7P301 Y306L298-P301 HydrophobicContact CD2-CB 4.12Å; L298-P301 HydrophobicContact CD2-CG 3.96Å; L298-P301 HydrophobicContact CG-CG 4.32Å; L298-Y306 HydrophobicContact CB-CD1 3.98Å; L298-Y306 HydrophobicContact CB-CE1 3.78Å; L298-Y306 HydrophobicContact CD1-CD1 4.06Å; L298-Y306 HydrophobicContact CD1-CD2 4.33Å; L298-Y306 HydrophobicContact CD1-CE1 3.67Å; L298-Y306 HydrophobicContact CD1-CE2 3.95Å; L298-Y306 HydrophobicContact CD1-CG 4.37Å; L298-Y306 HydrophobicContact CG-CE1 4.29Å
299I95.7Very high92.1Very high30 Ų3077.9 Ų77.915%0.15439%0.387CS..EExtended strand (participates in β ladder)trans-109.9-53.4177.8-56.1168.3000110.7I219 L222 L228 P301 L305 V307I219-I299 HydrophobicContact CD1-CD1 4.39Å; I219-I299 HydrophobicContact CD1-CG2 3.9Å; L222-I299 HydrophobicContact CD1-CD1 3.77Å; L228-I299 HydrophobicContact CD2-CD1 3.83Å; I299-P301 WeakPolarHBondContact O-CD 3.43Å; I299-L305 PolarHBondContact N-O 2.93Å; I299-V307 HydrophobicContact CD1-CB 3.45Å; I299-V307 VanDerWaalsContact CD1-CB 3.45Å; I299-V307 HydrophobicContact CD1-CG1 3.53Å; I299-V307 HydrophobicContact CG1-CB 4.29Å; I299-V307 HydrophobicContact CG1-CG1 3.9Å
300I96.6Very high92.5Very high1 Ų172.1 Ų72.11%0.00537%0.368CS..EExtended strand (participates in β ladder)trans-11899.6179.7-56.3179.7000109.1L190 E215 I219 R302 L303 H304 L305L190-I300 HydrophobicContact CD1-CD1 4.16Å; L190-I300 HydrophobicContact CD2-CD1 4.47Å; E215-I300 HydrophobicContact CB-CD1 3.82Å; E215-I300 HydrophobicContact CB-CG1 4.37Å; E215-I300 HydrophobicContact CG-CD1 4.03Å; E215-I300 HydrophobicContact CG-CG1 4.12Å; E215-I300 HydrophobicContact CG-CG2 4.21Å; E215-I300 WeakPolarHBondContact OE1-CG2 3.37Å; I219-I300 HydrophobicContact CD1-CD1 4.1Å; I219-I300 HydrophobicContact CD1-CG1 4.49Å; I219-I300 HydrophobicContact CG1-CD1 3.86Å; I300-R302 HydrophobicContact CG2-CG 3.62Å; I300-R302 PolarHBondContact O-N 3.03Å; I300-L303 HydrophobicContact CB-CB 4.39Å; I300-L303 HydrophobicContact CD1-CD1 4.35Å; I300-L303 HydrophobicContact CG2-CB 4.04Å; I300-L303 HydrophobicContact CG2-CD1 4.06Å; I300-L303 HydrophobicContact CG2-CG 3.88Å; I300-L303 PolarHBondContact O-N 2.97Å; I300-H304 PolarHBondContact O-N 3.28Å; I300-L305 HydrophobicContact CB-CB 4.02Å; I300-L305 HydrophobicContact CB-CD2 4.37Å; I300-L305 HydrophobicContact CD1-CD2 3.89Å; I300-L305 HydrophobicContact CG1-CD2 4.15Å; I300-L305 PolarHBondContact N-O 3.48Å; I300-L305 PolarHBondContact O-N 3.14Å; I300-L305 VanDerWaalsContact O-N 3.1Å
301P95.1Very high92.8Very high82 Ų8268.1 Ų68.153%0.53235%0.354SS..G310 helixtrans-55.6-46.7-176.9-28.635.7000113.8L298 I299 L303 H304L298-P301 HydrophobicContact CD2-CB 4.12Å; L298-P301 HydrophobicContact CD2-CG 3.96Å; L298-P301 HydrophobicContact CG-CG 4.32Å; I299-P301 WeakPolarHBondContact O-CD 3.43Å; P301-L303 PolarHBondContact O-N 3.42Å; P301-L303 VanDerWaalsContact O-N 3.12Å; P301-H304 PolarHBondContact O-N 3.43Å
302R92.9Very high93Very high84 Ų8467.3 Ų67.332%0.31734%0.344SS..G310 helixtrans-62.6-22.6-176.865.9169.7-171.393.10.1114.2L190 W208 E215 I300L190-R302 VanDerWaalsContact CD2-NH2 3.34Å; W208-R302 VanDerWaalsContact CH2-CD 3.45Å; E215-R302 VanDerWaalsContact CD-NE 3.3Å; E215-R302 WeakPolarHBondContact OE1-CD 3.42Å; E215-R302 IonicContact OE1-CZ 2.75Å; E215-R302 IonicContact OE1-NE 2.72Å; E215-R302 PolarHBondContact OE1-NE 3.32Å; E215-R302 IonicContact OE2-CZ 3.81Å; E215-R302 IonicContact OE2-NE 3.51Å; E215-R302 PolarHBondContact OE2-NE 2.85Å; E215-R302 IonicContact OE2-NH2 3.9Å; E215-R302 PolarHBondContact OE2-NH2 3.27Å; I300-R302 HydrophobicContact CG2-CG 3.62Å; I300-R302 PolarHBondContact O-N 3.03Å
303L94.8Very high93.5Very high28 Ų2860 Ų6015%0.14731%0.312CS..G310 helixtrans-99.2-5.3178.1-67-176.5000112.2I230 I300 P301 L305I230-L303 WeakPolarHBondContact CG2-O 3.48Å; I300-L303 HydrophobicContact CB-CB 4.39Å; I300-L303 HydrophobicContact CD1-CD1 4.35Å; I300-L303 HydrophobicContact CG2-CB 4.04Å; I300-L303 HydrophobicContact CG2-CD1 4.06Å; I300-L303 HydrophobicContact CG2-CG 3.88Å; I300-L303 PolarHBondContact O-N 2.97Å; P301-L303 PolarHBondContact O-N 3.42Å; P301-L303 VanDerWaalsContact O-N 3.12Å; L303-L305 HydrophobicContact CB-CB 4.02Å; L303-L305 PolarHBondContact O-N 3.28Å
304H96.1Very high94Very high76 Ų7659.8 Ų59.835%0.35230%0.298SS..THydrogen-bonded Turntrans48.841.1-162.9-58.5-87.8000111.7I230 K231 R232 I300 P301 Y306I230-H304 WeakPolarHBondContact CA-O 3.5Å; K231-H304 PolarHBondContact N-O 3.17Å; K231-H304 WeakPolarHBondContact O-CB 3.45Å; R232-H304 HydrophobicContact CB-CB 4.25Å; I300-H304 PolarHBondContact O-N 3.28Å; P301-H304 PolarHBondContact O-N 3.43Å; H304-Y306 HydrophobicContact CB-CE2 4.21Å; H304-Y306 WeakPolarHBondContact O-CD2 3.15Å; H304-Y306 WeakPolarHBondContact O-CE2 3.18Å
305L97.6Very high94.4Very high1 Ų157.3 Ų57.31%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-90.1123.5-177.4-17373.2000110L181 V186 I219 L228 I230 I299 I300 L303L181-L305 HydrophobicContact CD1-CD1 4.03Å; V186-L305 HydrophobicContact CG1-CD2 3.73Å; V186-L305 HydrophobicContact CG2-CD1 4.19Å; V186-L305 HydrophobicContact CG2-CD2 4.25Å; I219-L305 HydrophobicContact CD1-CD2 3.66Å; L228-L305 HydrophobicContact CB-CD1 4.3Å; I230-L305 HydrophobicContact CG1-CD1 3.94Å; I299-L305 PolarHBondContact N-O 2.93Å; I300-L305 HydrophobicContact CB-CB 4.02Å; I300-L305 HydrophobicContact CB-CD2 4.37Å; I300-L305 HydrophobicContact CD1-CD2 3.89Å; I300-L305 HydrophobicContact CG1-CD2 4.15Å; I300-L305 PolarHBondContact N-O 3.48Å; I300-L305 PolarHBondContact O-N 3.14Å; I300-L305 VanDerWaalsContact O-N 3.1Å; L303-L305 HydrophobicContact CB-CB 4.02Å; L303-L305 PolarHBondContact O-N 3.28Å
306Y97.5Very high94.6Very high51 Ų5155.3 Ų55.320%0.227%0.269CS..EExtended strand (participates in β ladder)trans-117.7152.4178.8-60.5-98.9000110.7L228 K229 K231 L296 R297 L298 H304L228-Y306 CarbonylContact C-O 3.57Å; L228-Y306 WeakPolarHBondContact CA-O 3.18Å; K229-Y306 PolarHBondContact N-O 3.16Å; K229-Y306 PolarHBondContact O-N 3.14Å; K231-Y306 HydrophobicContact CB-CD2 3.87Å; K231-Y306 HydrophobicContact CB-CE2 3.87Å; L296-Y306 HydrophobicContact CB-CD1 3.71Å; L296-Y306 HydrophobicContact CB-CG 4.04Å; L296-Y306 HydrophobicContact CD1-CG 4.31Å; R297-Y306 CarbonylContact O-C 3.57Å; R297-Y306 VanDerWaalsContact O-CA 3.24Å; R297-Y306 WeakPolarHBondContact O-CA 3.39Å; L298-Y306 HydrophobicContact CB-CD1 3.98Å; L298-Y306 HydrophobicContact CB-CE1 3.78Å; L298-Y306 HydrophobicContact CD1-CD1 4.06Å; L298-Y306 HydrophobicContact CD1-CD2 4.33Å; L298-Y306 HydrophobicContact CD1-CE1 3.67Å; L298-Y306 HydrophobicContact CD1-CE2 3.95Å; L298-Y306 HydrophobicContact CD1-CG 4.37Å; L298-Y306 HydrophobicContact CG-CE1 4.29Å; H304-Y306 HydrophobicContact CB-CE2 4.21Å; H304-Y306 WeakPolarHBondContact O-CD2 3.15Å; H304-Y306 WeakPolarHBondContact O-CE2 3.18Å
307V96.6Very high94.6Very high12 Ų1256.5 Ų56.57%0.07327%0.273CS..EExtended strand (participates in β ladder)trans-99.7136.6159.160.10000108.9L228 L296 R297 I299L228-V307 HydrophobicContact CD2-CB 3.89Å; L228-V307 HydrophobicContact CD2-CG2 4.22Å; L296-V307 WeakPolarHBondContact CA-O 3.39Å; R297-V307 HydrophobicContact CB-CG1 3.94Å; R297-V307 PolarHBondContact N-O 3.24Å; R297-V307 PolarHBondContact O-N 3.19Å; I299-V307 HydrophobicContact CD1-CB 3.45Å; I299-V307 VanDerWaalsContact CD1-CB 3.45Å; I299-V307 HydrophobicContact CD1-CG1 3.53Å; I299-V307 HydrophobicContact CG1-CB 4.29Å; I299-V307 HydrophobicContact CG1-CG1 3.9Å
308A92.8Very high94.5Very high6 Ų649.8 Ų49.85%0.0525%0.253CS..EExtended strand (participates in β ladder)trans-86.9130.4167.700000108.8K227 L296K227-A308 HydrophobicContact CB-CB 4.07Å; K227-A308 PolarHBondContact O-N 2.66Å; L296-A308 HydrophobicContact CD2-CB 3.67Å
309D82.3Confident94.4Very high149 Ų14947.3 Ų47.380%0.79724%0.239SC*.  trans-60.90169.2-54.1-53.7000110.9

Retrieved 309 of 309 residues in 84.4 ms (Link to these results)

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