A0A077ZHP9_TRITR Loading...

Flagellar biosynthesis protein FlhA

Required for formation of the rod structure of the flagellar apparatus. Together with FliI and FliH, may constitute the export apparatus of flagellin.

AlphaFold DB , UniProt , Accession A0A077ZHP9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 659 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
1M68.6Low82.3Confident93 Ų9381.4 Ų81.446%0.45844%0.444SS..  0-49.50-66.3-172.3-80.200112V3 L4 L6 L14 L51 A54M1-V3 PolarHBondContact O-N 3.15Å; M1-L4 PolarHBondContact O-N 3.33Å; M1-L6 HydrophobicContact CB-CD1 4.38Å; M1-L6 HydrophobicContact CG-CD1 4.14Å; M1-L6 HydrophobicContact SD-CD1 4.34Å; M1-L14 HydrophobicContact SD-CD1 3.57Å; M1-L14 VanDerWaalsContact SD-CD1 3.57Å; M1-L51 HydrophobicContact CE-CD1 3.71Å; M1-A54 HydrophobicContact CB-CB 4.35Å; M1-A54 HydrophobicContact CE-CB 4.38Å
2M72.2Confident83.2Confident107 Ų10776.4 Ų76.453%0.52742%0.417SS..  trans-58.1-24.6-177.5-63-177-169.600115.9A54 V57M2-A54 HydrophobicContact CE-CB 4.13Å; M2-A54 HydrophobicContact CG-CB 4.24Å; M2-V57 HydrophobicContact CB-CG1 4.46Å
3V76.1Confident84Confident133 Ų13378.6 Ų78.681%0.80643%0.427SS*.SBendtrans-106.1-27.8-176.6-172.90000113.1M1M1-V3 PolarHBondContact O-N 3.15Å
4L79.3Confident84.7Confident122 Ų12275.6 Ų75.664%0.63941%0.41SS*.SBendtrans-95.6134.2-171-71.9168.6000110.7M1 L6M1-L4 PolarHBondContact O-N 3.33Å; L4-L6 PolarHBondContact O-N 3.16Å
5P79.4Confident85.3Confident83 Ų8370.7 Ų70.754%0.53938%0.383SS..PPolyproline II helixtrans-54.9127.3167.81.9-3.9000110.4R61P5-R61 VanDerWaalsContact CA-NH1 3.29Å
6L83.7Confident85.8Confident30 Ų3071.1 Ų71.116%0.15739%0.389CS..PPolyproline II helixtrans-102.7133.2168.6-65.9-179.6000108.7M1 L4 I10 L14 A58 I62M1-L6 HydrophobicContact CB-CD1 4.38Å; M1-L6 HydrophobicContact CG-CD1 4.14Å; M1-L6 HydrophobicContact SD-CD1 4.34Å; L4-L6 PolarHBondContact O-N 3.16Å; L6-I10 HydrophobicContact CD2-CG2 4.19Å; L6-L14 HydrophobicContact CD1-CD1 4.15Å; L6-A58 HydrophobicContact CD1-CB 3.94Å; L6-I62 WeakPolarHBondContact O-CD1 3.45Å
7P87.1Confident86.4Confident77 Ų7773.6 Ų73.650%0.540%0.395SS..PPolyproline II helixtrans-61.5147.9165.8-19.731.7000111F9 I10 L11P7-F9 PolarHBondContact O-N 2.94Å; P7-F9 VanDerWaalsContact O-N 3.12Å; P7-I10 HydrophobicContact CG-CD1 4.21Å; P7-I10 HydrophobicContact CG-CG1 4.41Å; P7-I10 PolarHBondContact O-N 3.26Å; P7-L11 PolarHBondContact O-N 3.4Å
8A87.4Confident86.8Confident29 Ų2969.6 Ų69.624%0.2437%0.374CS..Hα-helixtrans-52.1-36.7179.300000113.5I10 L11 D12A8-I10 PolarHBondContact O-N 2.88Å; A8-L11 WeakPolarHBondContact O-CB 3.47Å; A8-L11 PolarHBondContact O-N 2.97Å; A8-D12 PolarHBondContact O-N 3.2Å
9F89.9Confident87.2Confident154 Ų15467.6 Ų67.668%0.67536%0.363SS*.Hα-helixtrans-62.2-41176.1174.7-101.6000113.6P7 L11 D12 L13P7-F9 PolarHBondContact O-N 2.94Å; P7-F9 VanDerWaalsContact O-N 3.12Å; F9-L11 VanDerWaalsContact C-N 3.3Å; F9-D12 PolarHBondContact O-N 3.49Å; F9-L13 PolarHBondContact O-N 3.2Å; F9-L13 VanDerWaalsContact O-N 3.1Å
10I91.2Very high87.7Confident67 Ų6767 Ų6734%0.34437%0.368SS..Hα-helixtrans-69.7-35.2178-61.1-171.2000109.9L6 P7 A8 L13 L14L6-I10 HydrophobicContact CD2-CG2 4.19Å; P7-I10 HydrophobicContact CG-CD1 4.21Å; P7-I10 HydrophobicContact CG-CG1 4.41Å; P7-I10 PolarHBondContact O-N 3.26Å; A8-I10 PolarHBondContact O-N 2.88Å; I10-L13 PolarHBondContact O-N 3.05Å; I10-L14 HydrophobicContact CG2-CD1 3.92Å; I10-L14 HydrophobicContact CG2-CG 4.33Å; I10-L14 VanDerWaalsContact O-CG 3.31Å; I10-L14 WeakPolarHBondContact O-CG 3.45Å; I10-L14 PolarHBondContact O-N 2.88Å
11L90.7Very high88.1Confident0 Ų065.5 Ų65.50%036%0.359CS..Hα-helixtrans-61.8-48.6175.2-163.8106.4000111.3P7 A8 F9 L13 L14 F15 A58 I62 A74 V78P7-L11 PolarHBondContact O-N 3.4Å; A8-L11 WeakPolarHBondContact O-CB 3.47Å; A8-L11 PolarHBondContact O-N 2.97Å; F9-L11 VanDerWaalsContact C-N 3.3Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 2.92Å; L11-L14 PolarHBondContact O-N 3.06Å; L11-F15 HydrophobicContact CD1-CE2 4.4Å; L11-F15 HydrophobicContact CD2-CD2 3.75Å; L11-F15 HydrophobicContact CD2-CE2 3.25Å; L11-F15 HydrophobicContact CD2-CZ 4.21Å; L11-F15 HydrophobicContact CG-CD2 3.87Å; L11-F15 HydrophobicContact CG-CE2 3.61Å; L11-F15 HydrophobicContact CG-CZ 4.36Å; L11-F15 WeakPolarHBondContact O-CB 3.45Å; L11-F15 WeakPolarHBondContact O-CD2 3.21Å; L11-F15 PolarHBondContact O-N 3.17Å; L11-A58 HydrophobicContact CD1-CB 4.04Å; L11-I62 HydrophobicContact CB-CD1 4.47Å; L11-I62 HydrophobicContact CD1-CD1 3.94Å; L11-A74 WeakPolarHBondContact CD2-O 3.16Å; L11-V78 HydrophobicContact CD2-CG2 4.43Å
12D92.7Very high89.4Confident22 Ų2261.1 Ų61.112%0.11834%0.337CS..Hα-helixtrans-57.3-44175.1-80.2-23000112.1A8 F9 F15 T16 G75 K76 V77A8-D12 PolarHBondContact O-N 3.2Å; F9-D12 PolarHBondContact O-N 3.49Å; D12-F15 PolarHBondContact O-N 2.96Å; D12-T16 WeakPolarHBondContact O-CB 3.4Å; D12-T16 PolarHBondContact O-N 3.05Å; D12-T16 PolarHBondContact O-OG1 3.03Å; D12-G75 WeakPolarHBondContact OD1-CA 3.36Å; D12-G75 WeakPolarHBondContact OD2-CA 3.28Å; D12-K76 VanDerWaalsContact CG-N 3.35Å; D12-K76 PolarHBondContact OD1-N 3.47Å; D12-K76 VanDerWaalsContact OD1-N 3.1Å; D12-K76 PolarHBondContact OD2-N 3.24Å; D12-V77 HydrophobicContact CB-CG2 3.92Å; D12-V77 VanDerWaalsContact OD1-CB 3.28Å; D12-V77 WeakPolarHBondContact OD1-CB 3.49Å; D12-V77 WeakPolarHBondContact OD1-CG2 3.45Å; D12-V77 PolarHBondContact OD1-N 3.18Å
13L93.7Very high90.5Very high105 Ų10559.9 Ų59.955%0.5533%0.332SS..Hα-helixtrans-59.2-48.2177.3-174.785.3000111.2F9 I10 L11 T16 F17F9-L13 PolarHBondContact O-N 3.2Å; F9-L13 VanDerWaalsContact O-N 3.1Å; I10-L13 PolarHBondContact O-N 3.05Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 2.92Å; L13-T16 PolarHBondContact O-N 3.47Å; L13-F17 WeakPolarHBondContact O-CB 3.37Å; L13-F17 PolarHBondContact O-N 3.47Å
14L93.7Very high91.5Very high36 Ų3658.7 Ų58.719%0.18832%0.319CS..Hα-helixtrans-72.5-34.7-177-68.1171.6000112.6M1 L6 I10 L11 F17 N18 L55M1-L14 HydrophobicContact SD-CD1 3.57Å; M1-L14 VanDerWaalsContact SD-CD1 3.57Å; L6-L14 HydrophobicContact CD1-CD1 4.15Å; I10-L14 HydrophobicContact CG2-CD1 3.92Å; I10-L14 HydrophobicContact CG2-CG 4.33Å; I10-L14 VanDerWaalsContact O-CG 3.31Å; I10-L14 WeakPolarHBondContact O-CG 3.45Å; I10-L14 PolarHBondContact O-N 2.88Å; L11-L14 PolarHBondContact O-N 3.06Å; L14-F17 PolarHBondContact O-N 3.31Å; L14-N18 WeakPolarHBondContact O-CB 3.33Å; L14-N18 PolarHBondContact O-N 3.07Å; L14-L55 HydrophobicContact CB-CD1 4.25Å; L14-L55 HydrophobicContact CB-CD2 3.48Å; L14-L55 VanDerWaalsContact CB-CD2 3.48Å; L14-L55 HydrophobicContact CB-CG 4.47Å; L14-L55 HydrophobicContact CD1-CD2 3.89Å; L14-L55 HydrophobicContact CG-CD2 4.34Å
15F93.3Very high92.2Very high2 Ų253 Ų531%0.00929%0.29CS..Hα-helixtrans-63.6-46.5171.3-80.9-44000111.7L11 D12 F17 N18 I19 L55 V77 V78 D216 V219L11-F15 HydrophobicContact CD1-CE2 4.4Å; L11-F15 HydrophobicContact CD2-CD2 3.75Å; L11-F15 HydrophobicContact CD2-CE2 3.25Å; L11-F15 HydrophobicContact CD2-CZ 4.21Å; L11-F15 HydrophobicContact CG-CD2 3.87Å; L11-F15 HydrophobicContact CG-CE2 3.61Å; L11-F15 HydrophobicContact CG-CZ 4.36Å; L11-F15 WeakPolarHBondContact O-CB 3.45Å; L11-F15 WeakPolarHBondContact O-CD2 3.21Å; L11-F15 PolarHBondContact O-N 3.17Å; D12-F15 PolarHBondContact O-N 2.96Å; F15-F17 VanDerWaalsContact C-N 3.29Å; F15-F17 PolarHBondContact O-N 3.12Å; F15-N18 PolarHBondContact O-N 2.97Å; F15-N18 VanDerWaalsContact O-N 3.15Å; F15-I19 WeakPolarHBondContact O-CG1 3.49Å; F15-I19 PolarHBondContact O-N 2.96Å; F15-L55 HydrophobicContact CD1-CB 4.19Å; F15-L55 HydrophobicContact CD1-CD1 3.91Å; F15-L55 HydrophobicContact CD1-CG 4.46Å; F15-L55 HydrophobicContact CE1-CB 3.69Å; F15-L55 HydrophobicContact CE1-CD1 4.27Å; F15-L55 HydrophobicContact CE1-CG 4.43Å; F15-L55 HydrophobicContact CZ-CB 4.37Å; F15-V77 HydrophobicContact CB-CG1 4.33Å; F15-V78 HydrophobicContact CD2-CG2 4.19Å; F15-V78 HydrophobicContact CE2-CG2 3.63Å; F15-V78 HydrophobicContact CZ-CG2 4.49Å; F15-D216 WeakPolarHBondContact CZ-OD1 3.39Å; F15-V219 HydrophobicContact CB-CG1 3.64Å; F15-V219 HydrophobicContact CD1-CG1 3.29Å; F15-V219 HydrophobicContact CD2-CG1 3.79Å; F15-V219 HydrophobicContact CE1-CG1 3.73Å; F15-V219 HydrophobicContact CE2-CG1 4.12Å; F15-V219 HydrophobicContact CG-CG1 3.34Å; F15-V219 HydrophobicContact CZ-CG1 4.12Å
16T93.7Very high92.9Very high77 Ų7750.9 Ų50.947%0.47227%0.274SS..Hα-helixtrans-60.2-42.8175.9-54.50000110.8D12 L13 N18 I19 A20D12-T16 WeakPolarHBondContact O-CB 3.4Å; D12-T16 PolarHBondContact O-N 3.05Å; D12-T16 PolarHBondContact O-OG1 3.03Å; L13-T16 PolarHBondContact O-N 3.47Å; T16-N18 PolarHBondContact O-N 3.43Å; T16-I19 PolarHBondContact O-N 3.03Å; T16-A20 WeakPolarHBondContact O-CB 3.43Å; T16-A20 PolarHBondContact O-N 2.83Å
17F95.7Very high93.4Very high114 Ų11453.5 Ų53.550%0.529%0.287SS..Hα-helixtrans-60.9-43174.5176.2-101.3000112.3L13 L14 F15 A20 L21 L51L13-F17 WeakPolarHBondContact O-CB 3.37Å; L13-F17 PolarHBondContact O-N 3.47Å; L14-F17 PolarHBondContact O-N 3.31Å; F15-F17 VanDerWaalsContact C-N 3.29Å; F15-F17 PolarHBondContact O-N 3.12Å; F17-A20 PolarHBondContact O-N 3.47Å; F17-L21 HydrophobicContact CE1-CD2 4.03Å; F17-L21 HydrophobicContact CZ-CD2 4.33Å; F17-L21 VanDerWaalsContact O-CB 3.22Å; F17-L21 WeakPolarHBondContact O-CB 3.47Å; F17-L21 PolarHBondContact O-N 3.39Å; F17-L51 HydrophobicContact CD1-CD2 4.14Å; F17-L51 HydrophobicContact CE1-CD2 4.17Å
18N93.9Very high93.7Very high2 Ų252.6 Ų52.61%0.01128%0.28CS..Hα-helixtrans-64.3-41178.2-166.710.2000111.8L14 F15 T16 L21 S22 L51 L55L14-N18 WeakPolarHBondContact O-CB 3.33Å; L14-N18 PolarHBondContact O-N 3.07Å; F15-N18 PolarHBondContact O-N 2.97Å; F15-N18 VanDerWaalsContact O-N 3.15Å; T16-N18 PolarHBondContact O-N 3.43Å; N18-L21 PolarHBondContact O-N 3.16Å; N18-S22 WeakPolarHBondContact O-CB 3.4Å; N18-S22 PolarHBondContact O-N 2.89Å; N18-S22 PolarHBondContact O-OG 3.28Å; N18-L51 HydrophobicContact CB-CD2 4.31Å; N18-L55 HydrophobicContact CB-CD1 4.14Å
19I95Very high93.8Very high31 Ų3151.2 Ų51.216%0.15927%0.269CS..Hα-helixtrans-62.3-50.4173.7-65.9166.1000110.2F15 T16 L21 S22 I23 F81 P223F15-I19 WeakPolarHBondContact O-CG1 3.49Å; F15-I19 PolarHBondContact O-N 2.96Å; T16-I19 PolarHBondContact O-N 3.03Å; I19-L21 VanDerWaalsContact C-N 3.33Å; I19-L21 PolarHBondContact O-N 3.23Å; I19-S22 PolarHBondContact O-N 2.97Å; I19-S22 VanDerWaalsContact O-N 3.15Å; I19-S22 PolarHBondContact O-OG 3.21Å; I19-I23 HydrophobicContact CG2-CD1 3.96Å; I19-I23 WeakPolarHBondContact O-CG1 3.38Å; I19-I23 PolarHBondContact O-N 2.64Å; I19-F81 HydrophobicContact CD1-CE2 4.22Å; I19-F81 HydrophobicContact CD1-CZ 4.4Å; I19-P223 HydrophobicContact CG1-CG 3.76Å
20A96.3Very high93.8Very high56 Ų5647 Ų4746%0.46325%0.252SS..Hα-helixtrans-58.9-44.2178.600000112.1T16 F17 S22 I23 M24T16-A20 WeakPolarHBondContact O-CB 3.43Å; T16-A20 PolarHBondContact O-N 2.83Å; F17-A20 PolarHBondContact O-N 3.47Å; A20-S22 VanDerWaalsContact C-N 3.35Å; A20-S22 PolarHBondContact O-N 3.06Å; A20-I23 PolarHBondContact O-N 2.87Å; A20-M24 WeakPolarHBondContact O-CB 3.16Å; A20-M24 PolarHBondContact O-N 2.82Å
21L96.4Very high93.6Very high35 Ų3550.1 Ų50.118%0.18326%0.263CS..Hα-helixtrans-61-42.8176-179.557.5000111.3F17 N18 I19 M24 V25 T48F17-L21 HydrophobicContact CE1-CD2 4.03Å; F17-L21 HydrophobicContact CZ-CD2 4.33Å; F17-L21 VanDerWaalsContact O-CB 3.22Å; F17-L21 WeakPolarHBondContact O-CB 3.47Å; F17-L21 PolarHBondContact O-N 3.39Å; N18-L21 PolarHBondContact O-N 3.16Å; I19-L21 VanDerWaalsContact C-N 3.33Å; I19-L21 PolarHBondContact O-N 3.23Å; L21-M24 HydrophobicContact CD1-CE 3.51Å; L21-M24 PolarHBondContact O-N 3.29Å; L21-V25 HydrophobicContact CD1-CG2 4.29Å; L21-V25 WeakPolarHBondContact O-CB 3.34Å; L21-V25 VanDerWaalsContact O-CG2 3.25Å; L21-V25 WeakPolarHBondContact O-CG2 3.43Å; L21-V25 PolarHBondContact O-N 3.21Å; L21-T48 HydrophobicContact CD2-CG2 3.62Å; L21-T48 HydrophobicContact CG-CG2 3.97Å
22S95.4Very high93.4Very high1 Ų150.7 Ų50.71%0.00727%0.267CS..Hα-helixtrans-62.6-43.9177.671.60000112.7N18 I19 A20 V25 L26 V226N18-S22 WeakPolarHBondContact O-CB 3.4Å; N18-S22 PolarHBondContact O-N 2.89Å; N18-S22 PolarHBondContact O-OG 3.28Å; I19-S22 PolarHBondContact O-N 2.97Å; I19-S22 VanDerWaalsContact O-N 3.15Å; I19-S22 PolarHBondContact O-OG 3.21Å; A20-S22 VanDerWaalsContact C-N 3.35Å; A20-S22 PolarHBondContact O-N 3.06Å; S22-V25 PolarHBondContact O-N 3.45Å; S22-L26 PolarHBondContact O-N 2.86Å; S22-V226 VanDerWaalsContact C-CG1 3.42Å; S22-V226 WeakPolarHBondContact O-CG1 3.49Å
23I96.4Very high92.8Very high82 Ų8253.8 Ų53.842%0.42128%0.281SS..Hα-helixtrans-64.4-44.2177.4-65.6169000110I19 A20 V25 L26 L27I19-I23 HydrophobicContact CG2-CD1 3.96Å; I19-I23 WeakPolarHBondContact O-CG1 3.38Å; I19-I23 PolarHBondContact O-N 2.64Å; A20-I23 PolarHBondContact O-N 2.87Å; I23-V25 VanDerWaalsContact C-N 3.32Å; I23-V25 PolarHBondContact O-N 3.39Å; I23-L26 PolarHBondContact O-N 3.48Å; I23-L27 HydrophobicContact CG2-CD1 4.1Å; I23-L27 HydrophobicContact CG2-CG 4.38Å; I23-L27 WeakPolarHBondContact O-CG 3.21Å; I23-L27 PolarHBondContact O-N 3.45Å
24M95.9Very high92.3Very high107 Ų10754.8 Ų54.853%0.52728%0.277SS..Hα-helixtrans-58.7-44.9176.3-175177.864.700111.4A20 L21 L26 L27 V28A20-M24 WeakPolarHBondContact O-CB 3.16Å; A20-M24 PolarHBondContact O-N 2.82Å; L21-M24 HydrophobicContact CD1-CE 3.51Å; L21-M24 PolarHBondContact O-N 3.29Å; M24-L26 VanDerWaalsContact C-N 3.35Å; M24-L26 PolarHBondContact O-N 3.35Å; M24-L27 PolarHBondContact O-N 3.05Å; M24-V28 WeakPolarHBondContact O-CG2 3.39Å; M24-V28 PolarHBondContact O-N 3.39Å
25V95.4Very high91.8Very high4 Ų453.3 Ų53.32%0.02427%0.269CS..Hα-helixtrans-62.2-40.9177.1170.20000111.7L21 S22 I23 A29 F38 F41 I44 I227 A230L21-V25 HydrophobicContact CD1-CG2 4.29Å; L21-V25 WeakPolarHBondContact O-CB 3.34Å; L21-V25 VanDerWaalsContact O-CG2 3.25Å; L21-V25 WeakPolarHBondContact O-CG2 3.43Å; L21-V25 PolarHBondContact O-N 3.21Å; S22-V25 PolarHBondContact O-N 3.45Å; I23-V25 VanDerWaalsContact C-N 3.32Å; I23-V25 PolarHBondContact O-N 3.39Å; V25-A29 VanDerWaalsContact O-CB 3.29Å; V25-A29 WeakPolarHBondContact O-CB 3.41Å; V25-A29 PolarHBondContact O-N 3.41Å; V25-F38 HydrophobicContact CG1-CE1 4.42Å; V25-F41 HydrophobicContact CG1-CD2 4.03Å; V25-F41 HydrophobicContact CG1-CE2 3.54Å; V25-I44 HydrophobicContact CG2-CG2 3.69Å; V25-I227 HydrophobicContact CB-CD1 3.65Å; V25-I227 HydrophobicContact CG1-CD1 3.54Å; V25-I227 HydrophobicContact CG2-CD1 4.07Å; V25-A230 HydrophobicContact CG1-CB 4.23Å
26L94.1Very high91.4Very high38 Ų3855.3 Ų55.320%0.19928%0.28CS..Hα-helixtrans-63.9-42.9175177.765.1000112.2S22 I23 M24 A29 M30 V226 T229 A230S22-L26 PolarHBondContact O-N 2.86Å; I23-L26 PolarHBondContact O-N 3.48Å; M24-L26 VanDerWaalsContact C-N 3.35Å; M24-L26 PolarHBondContact O-N 3.35Å; L26-A29 WeakPolarHBondContact O-CB 3.38Å; L26-A29 PolarHBondContact O-N 3Å; L26-M30 HydrophobicContact CD1-CG 4.47Å; L26-M30 HydrophobicContact CG-SD 4.49Å; L26-M30 WeakPolarHBondContact O-CG 3.18Å; L26-M30 PolarHBondContact O-N 3.37Å; L26-V226 HydrophobicContact CB-CG1 3.68Å; L26-V226 HydrophobicContact CD2-CG1 3.92Å; L26-V226 HydrophobicContact CG-CG1 4.38Å; L26-T229 HydrophobicContact CD1-CG2 4.31Å; L26-A230 HydrophobicContact CB-CB 4.23Å; L26-A230 HydrophobicContact CD1-CB 3.89Å
27L93.4Very high91.1Very high84 Ų8456.8 Ų56.844%0.4428%0.282SS..Hα-helixtrans-65.5-45.7178.8-68.7175.5000111.5I23 M24 A29 M30 F31I23-L27 HydrophobicContact CG2-CD1 4.1Å; I23-L27 HydrophobicContact CG2-CG 4.38Å; I23-L27 WeakPolarHBondContact O-CG 3.21Å; I23-L27 PolarHBondContact O-N 3.45Å; M24-L27 PolarHBondContact O-N 3.05Å; L27-A29 VanDerWaalsContact C-N 3.28Å; L27-A29 PolarHBondContact O-N 3.26Å; L27-M30 PolarHBondContact O-N 2.92Å; L27-M30 VanDerWaalsContact O-N 3.14Å; L27-F31 HydrophobicContact CB-CD2 4.46Å; L27-F31 HydrophobicContact CD2-CE2 4.28Å; L27-F31 WeakPolarHBondContact O-CD2 3.33Å; L27-F31 PolarHBondContact O-N 3.14Å
28V93.2Very high90.8Very high58 Ų5852.4 Ų52.435%0.35226%0.262SS..Hα-helixtrans-57.8-46.1173.9175.40000109.8M24 M30 F31 T32 F38M24-V28 WeakPolarHBondContact O-CG2 3.39Å; M24-V28 PolarHBondContact O-N 3.39Å; V28-M30 VanDerWaalsContact C-N 3.32Å; V28-M30 PolarHBondContact O-N 3.43Å; V28-F31 PolarHBondContact O-N 2.91Å; V28-T32 WeakPolarHBondContact O-CB 3.47Å; V28-T32 PolarHBondContact O-N 3.41Å; V28-T32 PolarHBondContact O-OG1 2.63Å; V28-F38 HydrophobicContact CB-CD1 4.44Å; V28-F38 HydrophobicContact CB-CE1 3.96Å; V28-F38 HydrophobicContact CB-CZ 4.23Å; V28-F38 HydrophobicContact CG1-CD1 3.62Å; V28-F38 HydrophobicContact CG1-CD2 4.14Å; V28-F38 HydrophobicContact CG1-CE1 3.53Å; V28-F38 HydrophobicContact CG1-CE2 4.06Å; V28-F38 HydrophobicContact CG1-CG 3.94Å; V28-F38 HydrophobicContact CG1-CZ 3.77Å
29A90.6Very high90.6Very high0 Ų054.8 Ų54.80%028%0.283CS..Hα-helixtrans-55.9-45.2175.900000112.3V25 L26 L27 A230 I234 R237V25-A29 VanDerWaalsContact O-CB 3.29Å; V25-A29 WeakPolarHBondContact O-CB 3.41Å; V25-A29 PolarHBondContact O-N 3.41Å; L26-A29 WeakPolarHBondContact O-CB 3.38Å; L26-A29 PolarHBondContact O-N 3Å; L27-A29 VanDerWaalsContact C-N 3.28Å; L27-A29 PolarHBondContact O-N 3.26Å; A29-A230 HydrophobicContact CB-CB 3.93Å; A29-I234 HydrophobicContact CB-CD1 4.09Å; A29-I234 HydrophobicContact CB-CG1 3.63Å; A29-R237 PolarHBondContact O-NH1 3.19Å; A29-R237 PolarHBondContact O-NH2 3.24Å
30M88.8Confident90.5Very high67 Ų6756 Ų5633%0.3330%0.297SS..Hα-helixtrans-65.1-41.3179-75.7-175.562.600113.7L26 L27 V28 R237L26-M30 HydrophobicContact CD1-CG 4.47Å; L26-M30 HydrophobicContact CG-SD 4.49Å; L26-M30 WeakPolarHBondContact O-CG 3.18Å; L26-M30 PolarHBondContact O-N 3.37Å; L27-M30 PolarHBondContact O-N 2.92Å; L27-M30 VanDerWaalsContact O-N 3.14Å; V28-M30 VanDerWaalsContact C-N 3.32Å; V28-M30 PolarHBondContact O-N 3.43Å; M30-R237 PolarHBondContact O-NH2 3.21Å
31F87.2Confident90.3Very high131 Ų13153.3 Ų53.358%0.57528%0.275SS*.Hα-helixtrans-88.7-14-173.4-72.9-63.8000115.3L27 V28 D243L27-F31 HydrophobicContact CB-CD2 4.46Å; L27-F31 HydrophobicContact CD2-CE2 4.28Å; L27-F31 WeakPolarHBondContact O-CD2 3.33Å; L27-F31 PolarHBondContact O-N 3.14Å; V28-F31 PolarHBondContact O-N 2.91Å; F31-D243 WeakPolarHBondContact CD1-OD2 3.43Å
32T85.9Confident90.1Very high13 Ų1352 Ų528%0.0827%0.269CS..  trans-62.2139.3172.4-73.80000111.1V28 R34 E37 F38 R237V28-T32 WeakPolarHBondContact O-CB 3.47Å; V28-T32 PolarHBondContact O-N 3.41Å; V28-T32 PolarHBondContact O-OG1 2.63Å; T32-R34 WeakPolarHBondContact CG2-O 3.33Å; T32-E37 HydrophobicContact CG2-CB 3.85Å; T32-F38 HydrophobicContact CG2-CB 4.37Å; T32-R237 VanDerWaalsContact CB-NH1 3.34Å; T32-R237 PolarHBondContact O-NE 3.42Å; T32-R237 PolarHBondContact O-NH1 3.49Å; T32-R237 PolarHBondContact O-NH2 3.25Å
33Q81.6Confident90Very high87 Ų8755.8 Ų55.841%0.40729%0.292SS..SBendtrans-93.4-41.3179.5-65178100111.4E37Q33-E37 PolarHBondContact N-OE2 2.92Å
34R82.6Confident89.9Confident125 Ų12554.2 Ų54.247%0.47228%0.284SS..SBendtrans-117.1138.5178.4-60.1179.7-178.1-165.2-0.2110.9T32 L36 E37T32-R34 WeakPolarHBondContact CG2-O 3.33Å; R34-L36 PolarHBondContact O-N 3Å; R34-L36 VanDerWaalsContact O-N 3.08Å; R34-E37 HydrophobicContact CB-CG 4.19Å; R34-E37 PolarHBondContact N-OE1 2.84Å; R34-E37 PolarHBondContact N-OE2 3.25Å; R34-E37 WeakPolarHBondContact O-CB 3.41Å; R34-E37 PolarHBondContact O-N 3.47Å
35T83.3Confident89.7Confident5 Ų549.2 Ų49.23%0.03126%0.259CS..G310 helixtrans-51.5-37.5179.649.60000112.9E37 F38 R237T35-E37 VanDerWaalsContact C-N 3.32Å; T35-E37 PolarHBondContact O-N 2.63Å; T35-F38 PolarHBondContact O-N 3Å; T35-R237 HydrophobicContact CG2-CB 4.23Å
36L85.3Confident89.5Confident44 Ų4451.5 Ų51.523%0.2327%0.271CS..G310 helixtrans-67.4-22.4178.8-65.7-178.4000115.1R34 F38 A39 E154 Q157 E158R34-L36 PolarHBondContact O-N 3Å; R34-L36 VanDerWaalsContact O-N 3.08Å; L36-F38 PolarHBondContact O-N 2.86Å; L36-A39 WeakPolarHBondContact O-CB 3.42Å; L36-A39 PolarHBondContact O-N 3.11Å; L36-E154 HydrophobicContact CD1-CB 4.05Å; L36-E154 HydrophobicContact CD1-CG 4.36Å; L36-Q157 HydrophobicContact CD1-CB 4.46Å; L36-Q157 HydrophobicContact CD2-CB 3.81Å; L36-E158 HydrophobicContact CD2-CB 4.29Å
37E86.3Confident89.4Confident108 Ų10856.2 Ų56.251%0.50529%0.29SS..G310 helixtrans-64.6-23.7174.7-69.1163.5-16600111.6T32 Q33 R34 T35T32-E37 HydrophobicContact CG2-CB 3.85Å; Q33-E37 PolarHBondContact N-OE2 2.92Å; R34-E37 HydrophobicContact CB-CG 4.19Å; R34-E37 PolarHBondContact N-OE1 2.84Å; R34-E37 PolarHBondContact N-OE2 3.25Å; R34-E37 WeakPolarHBondContact O-CB 3.41Å; R34-E37 PolarHBondContact O-N 3.47Å; T35-E37 VanDerWaalsContact C-N 3.32Å; T35-E37 PolarHBondContact O-N 2.63Å
38F90.3Very high89.4Confident22 Ų2252.4 Ų52.410%0.09627%0.27CS..G310 helixtrans-11441.2175.3-159.1-168.3000112.9V25 V28 T32 T35 L36 A40 F41 I44 I234V25-F38 HydrophobicContact CG1-CE1 4.42Å; V28-F38 HydrophobicContact CB-CD1 4.44Å; V28-F38 HydrophobicContact CB-CE1 3.96Å; V28-F38 HydrophobicContact CB-CZ 4.23Å; V28-F38 HydrophobicContact CG1-CD1 3.62Å; V28-F38 HydrophobicContact CG1-CD2 4.14Å; V28-F38 HydrophobicContact CG1-CE1 3.53Å; V28-F38 HydrophobicContact CG1-CE2 4.06Å; V28-F38 HydrophobicContact CG1-CG 3.94Å; V28-F38 HydrophobicContact CG1-CZ 3.77Å; T32-F38 HydrophobicContact CG2-CB 4.37Å; T35-F38 PolarHBondContact O-N 3Å; L36-F38 PolarHBondContact O-N 2.86Å; F38-A40 PolarHBondContact O-N 3.49Å; F38-F41 HydrophobicContact CD1-CB 3.93Å; F38-F41 AromaticContact CD1-CD2 3.91Å; F38-F41 HydrophobicContact CD1-CD2 3.91Å; F38-F41 HydrophobicContact CD1-CG 4.23Å; F38-F41 HydrophobicContact CD2-CB 4.21Å; F38-F41 HydrophobicContact CE1-CB 4.14Å; F38-F41 AromaticContact CE1-CD2 3.45Å; F38-F41 HydrophobicContact CE1-CD2 3.45Å; F38-F41 VanDerWaalsContact CE1-CD2 3.45Å; F38-F41 HydrophobicContact CE1-CE2 4.28Å; F38-F41 HydrophobicContact CE1-CG 4.19Å; F38-F41 HydrophobicContact CE2-CB 4.39Å; F38-F41 HydrophobicContact CG-CB 3.98Å; F38-F41 HydrophobicContact CZ-CB 4.36Å; F38-F41 AromaticContact CZ-CD2 3.93Å; F38-F41 HydrophobicContact CZ-CD2 3.93Å; F38-F41 WeakPolarHBondContact O-CB 3.31Å; F38-F41 PolarHBondContact O-N 2.92Å; F38-I44 HydrophobicContact CE2-CD1 3.45Å; F38-I44 VanDerWaalsContact CE2-CD1 3.45Å; F38-I44 HydrophobicContact CZ-CD1 3.78Å; F38-I234 HydrophobicContact CD1-CD1 4.42Å
39A89.9Confident89.3Confident53 Ų5349.9 Ų49.944%0.43826%0.255SS..THydrogen-bonded Turntrans-55.1-24.6-178.700000114.8L36 F41 P42L36-A39 WeakPolarHBondContact O-CB 3.42Å; L36-A39 PolarHBondContact O-N 3.11Å; A39-F41 PolarHBondContact O-N 3.41Å; A39-P42 WeakPolarHBondContact O-CD 3.48Å
40A92.1Very high89.3Confident56 Ų5653.7 Ų53.746%0.46328%0.275SS..THydrogen-bonded Turntrans-76.1-5.5177.400000114.5F38 T43 I44F38-A40 PolarHBondContact O-N 3.49Å; A40-T43 WeakPolarHBondContact O-CB 3.21Å; A40-T43 PolarHBondContact O-N 2.78Å; A40-I44 HydrophobicContact CB-CD1 4.3Å; A40-I44 WeakPolarHBondContact O-CG1 3.37Å; A40-I44 PolarHBondContact O-N 3.35Å
41F93.4Very high89.5Confident0 Ų051.9 Ų51.90%027%0.266CS..Hα-helixtrans-56-45.1-174179.4-105.7000114.8V25 F38 A39 T43 I44 L45 F161 M165 A230 A231 I234V25-F41 HydrophobicContact CG1-CD2 4.03Å; V25-F41 HydrophobicContact CG1-CE2 3.54Å; F38-F41 HydrophobicContact CD1-CB 3.93Å; F38-F41 AromaticContact CD1-CD2 3.91Å; F38-F41 HydrophobicContact CD1-CD2 3.91Å; F38-F41 HydrophobicContact CD1-CG 4.23Å; F38-F41 HydrophobicContact CD2-CB 4.21Å; F38-F41 HydrophobicContact CE1-CB 4.14Å; F38-F41 AromaticContact CE1-CD2 3.45Å; F38-F41 HydrophobicContact CE1-CD2 3.45Å; F38-F41 VanDerWaalsContact CE1-CD2 3.45Å; F38-F41 HydrophobicContact CE1-CE2 4.28Å; F38-F41 HydrophobicContact CE1-CG 4.19Å; F38-F41 HydrophobicContact CE2-CB 4.39Å; F38-F41 HydrophobicContact CG-CB 3.98Å; F38-F41 HydrophobicContact CZ-CB 4.36Å; F38-F41 AromaticContact CZ-CD2 3.93Å; F38-F41 HydrophobicContact CZ-CD2 3.93Å; F38-F41 WeakPolarHBondContact O-CB 3.31Å; F38-F41 PolarHBondContact O-N 2.92Å; A39-F41 PolarHBondContact O-N 3.41Å; F41-T43 VanDerWaalsContact C-N 3.26Å; F41-T43 PolarHBondContact O-N 3.29Å; F41-I44 PolarHBondContact O-N 3.44Å; F41-I44 VanDerWaalsContact O-N 3.16Å; F41-L45 HydrophobicContact CE1-CD1 4.28Å; F41-L45 HydrophobicContact CZ-CD1 4.39Å; F41-L45 WeakPolarHBondContact O-CB 3.37Å; F41-L45 PolarHBondContact O-N 3.34Å; F41-F161 HydrophobicContact CB-CE2 4.12Å; F41-F161 HydrophobicContact CB-CZ 4.49Å; F41-F161 HydrophobicContact CD1-CZ 4.38Å; F41-M165 HydrophobicContact CD1-CE 4.29Å; F41-M165 HydrophobicContact CD1-SD 3.79Å; F41-M165 HydrophobicContact CE1-CE 3.57Å; F41-M165 HydrophobicContact CE1-SD 3.7Å; F41-A230 HydrophobicContact CE2-CB 4.25Å; F41-A230 HydrophobicContact CZ-CB 4.34Å; F41-A231 HydrophobicContact CE1-CB 3.94Å; F41-A231 VanDerWaalsContact CZ-CA 3.47Å; F41-A231 HydrophobicContact CZ-CB 3.83Å; F41-I234 HydrophobicContact CD1-CG2 4.23Å
42P92Very high89.7Confident7 Ų745.8 Ų45.85%0.04524%0.24CC..Hα-helixtrans-59.6-38178.6-24.535.7000112.6A39 L45 L46 F161 M165 A168A39-P42 WeakPolarHBondContact O-CD 3.48Å; P42-L45 PolarHBondContact O-N 2.88Å; P42-L46 PolarHBondContact O-N 3.26Å; P42-L46 VanDerWaalsContact O-N 3.08Å; P42-F161 HydrophobicContact CG-CD2 4.01Å; P42-F161 HydrophobicContact CG-CE2 3.94Å; P42-M165 HydrophobicContact CG-CB 4.33Å; P42-M165 HydrophobicContact CG-SD 4.36Å; P42-A168 HydrophobicContact CB-CB 4.15Å
43T92.6Very high89.9Confident80 Ų8047.6 Ų47.649%0.49125%0.248SC..Hα-helixtrans-68.2-44176.9-55.50000111.2A40 F41 L45 L46 F47A40-T43 WeakPolarHBondContact O-CB 3.21Å; A40-T43 PolarHBondContact O-N 2.78Å; F41-T43 VanDerWaalsContact C-N 3.26Å; F41-T43 PolarHBondContact O-N 3.29Å; T43-L45 VanDerWaalsContact C-N 3.28Å; T43-L45 PolarHBondContact O-N 2.8Å; T43-L46 WeakPolarHBondContact O-CB 3.29Å; T43-L46 PolarHBondContact O-N 3.43Å; T43-F47 HydrophobicContact CG2-CD2 3.79Å; T43-F47 HydrophobicContact CG2-CE2 3.7Å; T43-F47 VanDerWaalsContact O-CD2 3.3Å; T43-F47 WeakPolarHBondContact O-CD2 3.47Å; T43-F47 PolarHBondContact O-N 2.95Å
44I94Very high90.4Very high49 Ų4943.8 Ų43.825%0.25123%0.232SC..Hα-helixtrans-61-40.8175.7-68166.7000110.6V25 F38 A40 F41 L46 F47 T48V25-I44 HydrophobicContact CG2-CG2 3.69Å; F38-I44 HydrophobicContact CE2-CD1 3.45Å; F38-I44 VanDerWaalsContact CE2-CD1 3.45Å; F38-I44 HydrophobicContact CZ-CD1 3.78Å; A40-I44 HydrophobicContact CB-CD1 4.3Å; A40-I44 WeakPolarHBondContact O-CG1 3.37Å; A40-I44 PolarHBondContact O-N 3.35Å; F41-I44 PolarHBondContact O-N 3.44Å; F41-I44 VanDerWaalsContact O-N 3.16Å; I44-L46 VanDerWaalsContact C-N 3.33Å; I44-L46 PolarHBondContact O-N 2.97Å; I44-F47 PolarHBondContact O-N 3.29Å; I44-T48 HydrophobicContact CG2-CG2 4Å; I44-T48 WeakPolarHBondContact O-CB 2.96Å; I44-T48 VanDerWaalsContact O-CG2 3.24Å; I44-T48 WeakPolarHBondContact O-CG2 3.25Å; I44-T48 PolarHBondContact O-N 3.48Å; I44-T48 PolarHBondContact O-OG1 3.05Å
45L91.8Very high90.9Very high2 Ų237.9 Ų37.91%0.0121%0.21CC..Hα-helixtrans-60.5-42.3176.1-177.1159.5000111.4F41 P42 T43 T48 T49 M165 A168 V172 I227 A231F41-L45 HydrophobicContact CE1-CD1 4.28Å; F41-L45 HydrophobicContact CZ-CD1 4.39Å; F41-L45 WeakPolarHBondContact O-CB 3.37Å; F41-L45 PolarHBondContact O-N 3.34Å; P42-L45 PolarHBondContact O-N 2.88Å; T43-L45 VanDerWaalsContact C-N 3.28Å; T43-L45 PolarHBondContact O-N 2.8Å; L45-T48 WeakPolarHBondContact CA-OG1 3.32Å; L45-T48 PolarHBondContact O-OG1 3.45Å; L45-T49 VanDerWaalsContact O-CB 3.28Å; L45-T49 WeakPolarHBondContact O-CB 3.43Å; L45-T49 PolarHBondContact O-N 3.19Å; L45-T49 PolarHBondContact O-OG1 3.41Å; L45-M165 HydrophobicContact CD1-CE 3.74Å; L45-M165 HydrophobicContact CD1-SD 4.27Å; L45-A168 HydrophobicContact CD2-CB 3.82Å; L45-A168 WeakPolarHBondContact CD2-O 3.35Å; L45-V172 HydrophobicContact CD1-CG2 3.98Å; L45-V172 HydrophobicContact CD2-CG2 3.24Å; L45-V172 HydrophobicContact CG-CG2 3.8Å; L45-I227 HydrophobicContact CD1-CG2 4.43Å; L45-I227 HydrophobicContact CG-CG2 4.21Å; L45-A231 HydrophobicContact CD1-CB 4.24Å
46L90.6Very high91.2Very high53 Ų5337.9 Ų37.928%0.27721%0.209SC..Hα-helixtrans-61.9-50.4175-179.464.9000111.8P42 T43 I44 T49 L50 F171P42-L46 PolarHBondContact O-N 3.26Å; P42-L46 VanDerWaalsContact O-N 3.08Å; T43-L46 WeakPolarHBondContact O-CB 3.29Å; T43-L46 PolarHBondContact O-N 3.43Å; I44-L46 VanDerWaalsContact C-N 3.33Å; I44-L46 PolarHBondContact O-N 2.97Å; L46-T49 PolarHBondContact O-N 3.46Å; L46-L50 HydrophobicContact CD1-CD1 4.36Å; L46-L50 HydrophobicContact CG-CD1 4.21Å; L46-L50 WeakPolarHBondContact O-CG 3.11Å; L46-L50 PolarHBondContact O-N 3.04Å; L46-F171 HydrophobicContact CD1-CB 4.35Å; L46-F171 HydrophobicContact CD1-CD1 3.79Å; L46-F171 HydrophobicContact CD1-CD2 4Å; L46-F171 HydrophobicContact CD1-CE1 4.02Å; L46-F171 HydrophobicContact CD1-CE2 4.22Å; L46-F171 HydrophobicContact CD1-CG 3.78Å; L46-F171 HydrophobicContact CD1-CZ 4.23Å
47F93.1Very high91.5Very high137 Ų13738.4 Ų38.460%0.60121%0.214SC*.Hα-helixtrans-65.4-41.1-178.5-83.3-75.2000113.1T43 I44 T49 L50 L51T43-F47 HydrophobicContact CG2-CD2 3.79Å; T43-F47 HydrophobicContact CG2-CE2 3.7Å; T43-F47 VanDerWaalsContact O-CD2 3.3Å; T43-F47 WeakPolarHBondContact O-CD2 3.47Å; T43-F47 PolarHBondContact O-N 2.95Å; I44-F47 PolarHBondContact O-N 3.29Å; F47-T49 VanDerWaalsContact C-N 3.33Å; F47-L50 PolarHBondContact O-N 3.23Å; F47-L51 WeakPolarHBondContact O-CB 3.42Å; F47-L51 PolarHBondContact O-N 2.91Å
48T93Very high91.7Very high3 Ų333.6 Ų33.62%0.01819%0.193CC..Hα-helixtrans-65.3-37.8176.851.60000111.9L21 I44 L45 L51 R52 I227L21-T48 HydrophobicContact CD2-CG2 3.62Å; L21-T48 HydrophobicContact CG-CG2 3.97Å; I44-T48 HydrophobicContact CG2-CG2 4Å; I44-T48 WeakPolarHBondContact O-CB 2.96Å; I44-T48 VanDerWaalsContact O-CG2 3.24Å; I44-T48 WeakPolarHBondContact O-CG2 3.25Å; I44-T48 PolarHBondContact O-N 3.48Å; I44-T48 PolarHBondContact O-OG1 3.05Å; L45-T48 WeakPolarHBondContact CA-OG1 3.32Å; L45-T48 PolarHBondContact O-OG1 3.45Å; T48-L51 PolarHBondContact O-N 3.39Å; T48-R52 PolarHBondContact O-N 3.04Å; T48-I227 HydrophobicContact CG2-CD1 4.47Å
49T90.8Very high91.7Very high6 Ų632.5 Ų32.54%0.03719%0.189CC..Hα-helixtrans-65.9-45.6174.8-570000111.3L45 L46 F47 L51 R52 L53 D175L45-T49 VanDerWaalsContact O-CB 3.28Å; L45-T49 WeakPolarHBondContact O-CB 3.43Å; L45-T49 PolarHBondContact O-N 3.19Å; L45-T49 PolarHBondContact O-OG1 3.41Å; L46-T49 PolarHBondContact O-N 3.46Å; F47-T49 VanDerWaalsContact C-N 3.33Å; T49-L51 VanDerWaalsContact C-N 3.34Å; T49-L51 PolarHBondContact O-N 3.48Å; T49-R52 WeakPolarHBondContact O-CB 3.2Å; T49-R52 PolarHBondContact O-N 3.32Å; T49-L53 PolarHBondContact O-N 2.96Å; T49-D175 HydrophobicContact CG2-CB 3.41Å; T49-D175 VanDerWaalsContact CG2-CB 3.41Å
50L91.5Very high91.7Very high80 Ų8031 Ų3142%0.41917%0.174SC..Hα-helixtrans-62.7-40.4176-72.6173000112.4L46 F47 R52 L53 A54L46-L50 HydrophobicContact CD1-CD1 4.36Å; L46-L50 HydrophobicContact CG-CD1 4.21Å; L46-L50 WeakPolarHBondContact O-CG 3.11Å; L46-L50 PolarHBondContact O-N 3.04Å; F47-L50 PolarHBondContact O-N 3.23Å; L50-R52 VanDerWaalsContact C-N 3.34Å; L50-L53 PolarHBondContact O-N 2.9Å; L50-A54 WeakPolarHBondContact O-CB 3.46Å; L50-A54 PolarHBondContact O-N 3.12Å
51L92.9Very high91.6Very high28 Ų2833.1 Ų33.115%0.14717%0.17CC..Hα-helixtrans-59.7-45.6174.617762.2000110.8M1 F17 N18 F47 T48 T49 A54 L55M1-L51 HydrophobicContact CE-CD1 3.71Å; F17-L51 HydrophobicContact CD1-CD2 4.14Å; F17-L51 HydrophobicContact CE1-CD2 4.17Å; N18-L51 HydrophobicContact CB-CD2 4.31Å; F47-L51 WeakPolarHBondContact O-CB 3.42Å; F47-L51 PolarHBondContact O-N 2.91Å; T48-L51 PolarHBondContact O-N 3.39Å; T49-L51 VanDerWaalsContact C-N 3.34Å; T49-L51 PolarHBondContact O-N 3.48Å; L51-A54 PolarHBondContact O-N 3.03Å; L51-L55 HydrophobicContact CD1-CD1 4.15Å; L51-L55 HydrophobicContact CD1-CG 4.32Å; L51-L55 HydrophobicContact CG-CD1 4.04Å; L51-L55 VanDerWaalsContact O-CG 3.31Å; L51-L55 WeakPolarHBondContact O-CG 3.15Å; L51-L55 PolarHBondContact O-N 2.87Å
52R91.3Very high91.4Very high4 Ų433.3 Ų33.32%0.01517%0.171CC..Hα-helixtrans-61.1-48.5177.7-171.3-175.1-58.6133.612.1111.8T48 T49 L50 A54 L55 N56 D175 A220 P223 A224T48-R52 PolarHBondContact O-N 3.04Å; T49-R52 WeakPolarHBondContact O-CB 3.2Å; T49-R52 PolarHBondContact O-N 3.32Å; L50-R52 VanDerWaalsContact C-N 3.34Å; R52-A54 VanDerWaalsContact C-N 3.29Å; R52-A54 PolarHBondContact O-N 3.11Å; R52-L55 PolarHBondContact O-N 2.92Å; R52-L55 VanDerWaalsContact O-N 3.12Å; R52-N56 PolarHBondContact O-N 3.29Å; R52-D175 WeakPolarHBondContact CD-OD2 3.12Å; R52-D175 IonicContact CZ-OD2 3.71Å; R52-D175 IonicContact NE-OD2 3.94Å; R52-D175 IonicContact NH1-OD2 3.31Å; R52-D175 PolarHBondContact NH1-OD2 2.96Å; R52-A220 VanDerWaalsContact CD-O 3.25Å; R52-A220 WeakPolarHBondContact CD-O 3.48Å; R52-A220 HydrophobicContact CG-CB 4.27Å; R52-A220 PolarHBondContact NE-O 2.82Å; R52-P223 VanDerWaalsContact NH2-C 3.31Å; R52-P223 PolarHBondContact NH2-O 2.81Å; R52-A224 VanDerWaalsContact CZ-CB 3.41Å; R52-A224 VanDerWaalsContact NH2-CA 3.26Å
53L90.3Very high91.3Very high50 Ų5033 Ų3326%0.26217%0.169SC..Hα-helixtrans-61.5-41178.9-168.868000111.4T49 L50 L55 N56 V57 A178 I182T49-L53 PolarHBondContact O-N 2.96Å; L50-L53 PolarHBondContact O-N 2.9Å; L53-L55 VanDerWaalsContact C-N 3.32Å; L53-L55 PolarHBondContact O-N 3.1Å; L53-N56 PolarHBondContact O-N 2.82Å; L53-V57 WeakPolarHBondContact O-CG2 3.47Å; L53-V57 PolarHBondContact O-N 3.34Å; L53-V57 VanDerWaalsContact O-N 3.08Å; L53-A178 HydrophobicContact CD1-CB 3.65Å; L53-I182 HydrophobicContact CD1-CD1 4.33Å
54A91.8Very high91.1Very high8 Ų831.1 Ų31.17%0.06616%0.155CC..Hα-helixtrans-64.3-36.3175.800000112.7M1 M2 L50 L51 R52 A58M1-A54 HydrophobicContact CB-CB 4.35Å; M1-A54 HydrophobicContact CE-CB 4.38Å; M2-A54 HydrophobicContact CE-CB 4.13Å; M2-A54 HydrophobicContact CG-CB 4.24Å; L50-A54 WeakPolarHBondContact O-CB 3.46Å; L50-A54 PolarHBondContact O-N 3.12Å; L51-A54 PolarHBondContact O-N 3.03Å; R52-A54 VanDerWaalsContact C-N 3.29Å; R52-A54 PolarHBondContact O-N 3.11Å; A54-A58 WeakPolarHBondContact O-CB 3.39Å; A54-A58 PolarHBondContact O-N 2.94Å; A54-A58 VanDerWaalsContact O-N 3.13Å
55L91.9Very high90.7Very high0 Ų032.3 Ų32.30%016%0.161CC..Hα-helixtrans-69.2-44.5175.1-73169.2000111.9L14 F15 N18 L51 R52 L53 V57 A58 S59L14-L55 HydrophobicContact CB-CD1 4.25Å; L14-L55 HydrophobicContact CB-CD2 3.48Å; L14-L55 VanDerWaalsContact CB-CD2 3.48Å; L14-L55 HydrophobicContact CB-CG 4.47Å; L14-L55 HydrophobicContact CD1-CD2 3.89Å; L14-L55 HydrophobicContact CG-CD2 4.34Å; F15-L55 HydrophobicContact CD1-CB 4.19Å; F15-L55 HydrophobicContact CD1-CD1 3.91Å; F15-L55 HydrophobicContact CD1-CG 4.46Å; F15-L55 HydrophobicContact CE1-CB 3.69Å; F15-L55 HydrophobicContact CE1-CD1 4.27Å; F15-L55 HydrophobicContact CE1-CG 4.43Å; F15-L55 HydrophobicContact CZ-CB 4.37Å; N18-L55 HydrophobicContact CB-CD1 4.14Å; L51-L55 HydrophobicContact CD1-CD1 4.15Å; L51-L55 HydrophobicContact CD1-CG 4.32Å; L51-L55 HydrophobicContact CG-CD1 4.04Å; L51-L55 VanDerWaalsContact O-CG 3.31Å; L51-L55 WeakPolarHBondContact O-CG 3.15Å; L51-L55 PolarHBondContact O-N 2.87Å; R52-L55 PolarHBondContact O-N 2.92Å; R52-L55 VanDerWaalsContact O-N 3.12Å; L53-L55 VanDerWaalsContact C-N 3.32Å; L53-L55 PolarHBondContact O-N 3.1Å; L55-V57 VanDerWaalsContact C-N 3.28Å; L55-V57 PolarHBondContact O-N 3.36Å; L55-A58 PolarHBondContact O-N 2.92Å; L55-A58 VanDerWaalsContact O-N 3.08Å; L55-S59 PolarHBondContact O-N 2.89Å; L55-S59 PolarHBondContact O-OG 3.43Å; L55-S59 VanDerWaalsContact O-OG 3.08Å
56N90.4Very high90.4Very high5 Ų536.5 Ų36.53%0.02718%0.18CC..Hα-helixtrans-59.3-39.2176.4-71.4-6.6000112.1R52 L53 S59 T60 I182 A220R52-N56 PolarHBondContact O-N 3.29Å; L53-N56 PolarHBondContact O-N 2.82Å; N56-S59 WeakPolarHBondContact CA-OG 3.49Å; N56-S59 PolarHBondContact O-OG 3.36Å; N56-T60 WeakPolarHBondContact O-CB 3.26Å; N56-T60 PolarHBondContact O-N 2.87Å; N56-T60 PolarHBondContact O-OG1 2.86Å; N56-I182 HydrophobicContact CB-CD1 3.79Å; N56-A220 WeakPolarHBondContact OD1-CB 3.4Å
57V90.6Very high90Very high55 Ų5534 Ų3433%0.33317%0.167SC..Hα-helixtrans-66.9-41.8175.5172.80000110.9M2 L53 L55 R61M2-V57 HydrophobicContact CB-CG1 4.46Å; L53-V57 WeakPolarHBondContact O-CG2 3.47Å; L53-V57 PolarHBondContact O-N 3.34Å; L53-V57 VanDerWaalsContact O-N 3.08Å; L55-V57 VanDerWaalsContact C-N 3.28Å; L55-V57 PolarHBondContact O-N 3.36Å; V57-R61 PolarHBondContact O-N 2.92Å
58A91Very high89.5Confident7 Ų731 Ų316%0.05816%0.155CC..Hα-helixtrans-67.4-44.6179.100000112.2L6 L11 A54 L55 R61 I62L6-A58 HydrophobicContact CD1-CB 3.94Å; L11-A58 HydrophobicContact CD1-CB 4.04Å; A54-A58 WeakPolarHBondContact O-CB 3.39Å; A54-A58 PolarHBondContact O-N 2.94Å; A54-A58 VanDerWaalsContact O-N 3.13Å; L55-A58 PolarHBondContact O-N 2.92Å; L55-A58 VanDerWaalsContact O-N 3.08Å; A58-R61 PolarHBondContact O-N 3.4Å; A58-I62 PolarHBondContact O-N 3.02Å
59S90.5Very high89Confident0 Ų035.2 Ų35.20%018%0.181CC..Hα-helixtrans-65.9-45.5177.958.10000111.2L55 N56 R61 I62 I63 D216L55-S59 PolarHBondContact O-N 2.89Å; L55-S59 PolarHBondContact O-OG 3.43Å; L55-S59 VanDerWaalsContact O-OG 3.08Å; N56-S59 WeakPolarHBondContact CA-OG 3.49Å; N56-S59 PolarHBondContact O-OG 3.36Å; S59-R61 PolarHBondContact O-N 2.74Å; S59-I62 CarbonylContact O-C 3.6Å; S59-I62 PolarHBondContact O-N 3.07Å; S59-I63 VanDerWaalsContact O-CG1 3.26Å; S59-I63 WeakPolarHBondContact O-CG1 3.16Å; S59-I63 PolarHBondContact O-N 3.34Å; S59-D216 WeakPolarHBondContact CB-OD1 3.41Å; S59-D216 PolarHBondContact OG-OD1 3.49Å; S59-D216 PolarHBondContact OG-OD2 2.86Å
60T90Very high88.5Confident21 Ų2136.1 Ų36.113%0.12919%0.191CC..Hα-helixtrans-50-45.6172.8-68.60000112N56 I62 I63 L64 I182 N186N56-T60 WeakPolarHBondContact O-CB 3.26Å; N56-T60 PolarHBondContact O-N 2.87Å; N56-T60 PolarHBondContact O-OG1 2.86Å; T60-I62 PolarHBondContact O-N 3.31Å; T60-I63 PolarHBondContact O-N 2.96Å; T60-L64 HydrophobicContact CG2-CD1 4.01Å; T60-L64 HydrophobicContact CG2-CG 4.49Å; T60-L64 WeakPolarHBondContact O-CB 3.4Å; T60-L64 WeakPolarHBondContact O-CG 3.48Å; T60-L64 PolarHBondContact O-N 3.45Å; T60-I182 WeakPolarHBondContact OG1-CG2 3.43Å; T60-N186 WeakPolarHBondContact CG2-OD1 3.43Å; T60-N186 PolarHBondContact OG1-ND2 2.84Å; T60-N186 PolarHBondContact OG1-OD1 2.78Å
61R90.3Very high87.8Confident100 Ų10033.4 Ų33.438%0.37718%0.18SC..Hα-helixtrans-62.1-44.7178.5-171.3174.1177.1-88.2-4111.7P5 V57 A58 S59 M65P5-R61 VanDerWaalsContact CA-NH1 3.29Å; V57-R61 PolarHBondContact O-N 2.92Å; A58-R61 PolarHBondContact O-N 3.4Å; S59-R61 PolarHBondContact O-N 2.74Å; R61-M65 HydrophobicContact CG-CE 3.84Å; R61-M65 HydrophobicContact CG-SD 3.95Å; R61-M65 WeakPolarHBondContact O-CB 3.25Å; R61-M65 VanDerWaalsContact O-CG 3.23Å; R61-M65 WeakPolarHBondContact O-CG 3.28Å; R61-M65 PolarHBondContact O-N 2.89Å
62I89.1Confident87.1Confident4 Ų434.4 Ų34.42%0.02119%0.193CC..Hα-helixtrans-66.1-43.9177.3-61174.8000110.8L6 L11 A58 S59 T60 L64 M65 E66 A73L6-I62 WeakPolarHBondContact O-CD1 3.45Å; L11-I62 HydrophobicContact CB-CD1 4.47Å; L11-I62 HydrophobicContact CD1-CD1 3.94Å; A58-I62 PolarHBondContact O-N 3.02Å; S59-I62 CarbonylContact O-C 3.6Å; S59-I62 PolarHBondContact O-N 3.07Å; T60-I62 PolarHBondContact O-N 3.31Å; I62-L64 VanDerWaalsContact C-N 3.33Å; I62-L64 PolarHBondContact O-N 2.94Å; I62-M65 PolarHBondContact O-N 2.89Å; I62-E66 HydrophobicContact CG2-CB 4.36Å; I62-E66 WeakPolarHBondContact O-CA 3.48Å; I62-E66 WeakPolarHBondContact O-CB 3.38Å; I62-E66 PolarHBondContact O-N 3.36Å; I62-A73 WeakPolarHBondContact CG2-O 3.26Å
63I89.5Confident86.6Confident0 Ų034.6 Ų34.60%020%0.195CC..Hα-helixtrans-57.5-48.2177.7-66.5167.9000109.9S59 T60 G67 A74 Y209 L212 D216S59-I63 VanDerWaalsContact O-CG1 3.26Å; S59-I63 WeakPolarHBondContact O-CG1 3.16Å; S59-I63 PolarHBondContact O-N 3.34Å; T60-I63 PolarHBondContact O-N 2.96Å; I63-G67 WeakPolarHBondContact O-CA 3.35Å; I63-G67 PolarHBondContact O-N 3.43Å; I63-A74 HydrophobicContact CD1-CB 4.36Å; I63-A74 HydrophobicContact CG1-CB 3.65Å; I63-Y209 HydrophobicContact CG2-CD1 3.95Å; I63-Y209 HydrophobicContact CG2-CE1 4.4Å; I63-Y209 WeakPolarHBondContact O-CE1 3.22Å; I63-L212 HydrophobicContact CD1-CB 4.43Å; I63-L212 HydrophobicContact CG1-CB 4.22Å; I63-L212 HydrophobicContact CG2-CB 4.03Å; I63-L212 HydrophobicContact CG2-CD1 4.3Å; I63-D216 HydrophobicContact CD1-CB 3.67Å
64L87.9Confident86.2Confident41 Ų4132.2 Ų32.222%0.21518%0.183CC..Hα-helixtrans-69.1-38-178.8-67.2178.5000113.2T60 I62 V193T60-L64 HydrophobicContact CG2-CD1 4.01Å; T60-L64 HydrophobicContact CG2-CG 4.49Å; T60-L64 WeakPolarHBondContact O-CB 3.4Å; T60-L64 WeakPolarHBondContact O-CG 3.48Å; T60-L64 PolarHBondContact O-N 3.45Å; I62-L64 VanDerWaalsContact C-N 3.33Å; I62-L64 PolarHBondContact O-N 2.94Å; L64-V193 WeakPolarHBondContact O-CG1 3.45Å
65M87.1Confident86Confident75 Ų7532 Ų3237%0.36918%0.181SC..Hα-helixtrans-78.7-43.8-179.6-68.2-177.4-4200113.1R61 I62 H68R61-M65 HydrophobicContact CG-CE 3.84Å; R61-M65 HydrophobicContact CG-SD 3.95Å; R61-M65 WeakPolarHBondContact O-CB 3.25Å; R61-M65 VanDerWaalsContact O-CG 3.23Å; R61-M65 WeakPolarHBondContact O-CG 3.28Å; R61-M65 PolarHBondContact O-N 2.89Å; I62-M65 PolarHBondContact O-N 2.89Å; M65-H68 PolarHBondContact O-CE1 3.03Å; M65-H68 VanDerWaalsContact O-CE1 3.29Å; M65-H68 PolarHBondContact O-ND1 3.23Å
66E84.9Confident85.9Confident89 Ų8939.5 Ų39.542%0.41621%0.214SC..Hα-helixtrans-113.8-3.6-167.7-62.9-176.6-168.500113.1I62 H68 T69 A73I62-E66 HydrophobicContact CG2-CB 4.36Å; I62-E66 WeakPolarHBondContact O-CA 3.48Å; I62-E66 WeakPolarHBondContact O-CB 3.38Å; I62-E66 PolarHBondContact O-N 3.36Å; E66-H68 PolarHBondContact O-N 3.22Å; E66-T69 WeakPolarHBondContact O-CB 3.32Å; E66-T69 WeakPolarHBondContact O-CG2 3.26Å; E66-T69 PolarHBondContact O-N 2.99Å; E66-T69 PolarHBondContact O-OG1 3.25Å; E66-A73 HydrophobicContact CB-CB 4.05Å; E66-A73 WeakPolarHBondContact O-CB 3.27Å
67G82.6Confident85.9Confident0 Ų040.5 Ų40.50%022%0.22CC..G310 helixtrans-61.9-16.4-177.300000115.6I63 T69 S208I63-G67 WeakPolarHBondContact O-CA 3.35Å; I63-G67 PolarHBondContact O-N 3.43Å; G67-T69 PolarHBondContact O-N 2.8Å; G67-S208 PolarHBondContact O-OG 3.48Å
68H82.1Confident85.9Confident75 Ų7537.9 Ų37.935%0.34720%0.204SC..G310 helixtrans-71.9-18171.270.3-87000113.1M65 E66 G70 H198 M200 Y209M65-H68 PolarHBondContact O-CE1 3.03Å; M65-H68 VanDerWaalsContact O-CE1 3.29Å; M65-H68 PolarHBondContact O-ND1 3.23Å; E66-H68 PolarHBondContact O-N 3.22Å; H68-G70 VanDerWaalsContact C-N 3.31Å; H68-H198 HydrophobicContact CB-CB 3.95Å; H68-H198 AromaticContact CD2-CD2 3.64Å; H68-H198 AromaticContact CE1-CD2 3.52Å; H68-H198 AromaticContact CE1-NE2 3.39Å; H68-H198 PolarHBondContact CE1-NE2 3.04Å; H68-H198 AromaticContact CG-CD2 3.3Å; H68-H198 AromaticContact CG-CG 3.77Å; H68-H198 AromaticContact CG-NE2 3.77Å; H68-H198 AromaticContact ND1-CD2 3.23Å; H68-H198 PolarHBondContact ND1-CD2 3.47Å; H68-H198 AromaticContact ND1-CE1 3.82Å; H68-H198 AromaticContact ND1-CG 3.93Å; H68-H198 AromaticContact ND1-NE2 3.16Å; H68-H198 PolarHBondContact ND1-NE2 3.39Å; H68-H198 VanDerWaalsContact ND1-NE2 3.16Å; H68-H198 AromaticContact NE2-CD2 3.77Å; H68-M200 HydrophobicContact CB-SD 3.68Å; H68-Y209 PolarHBondContact N-OH 3.01Å
69T82.9Confident85.8Confident91 Ų9140.2 Ų40.256%0.55821%0.214SC*.G310 helixtrans-78.8-14179.7670000113.2E66 G67E66-T69 WeakPolarHBondContact O-CB 3.32Å; E66-T69 WeakPolarHBondContact O-CG2 3.26Å; E66-T69 PolarHBondContact O-N 2.99Å; E66-T69 PolarHBondContact O-OG1 3.25Å; G67-T69 PolarHBondContact O-N 2.8Å
70G80Confident85.8Confident25 Ų2543.1 Ų43.126%0.25824%0.238SC..  trans128.4-173.4174.800000113.9H68 A72 A73H68-G70 VanDerWaalsContact C-N 3.31Å; G70-A72 PolarHBondContact O-N 3.21Å; G70-A73 WeakPolarHBondContact O-CB 3.32Å; G70-A73 PolarHBondContact O-N 3.29Å
71A76.2Confident85.7Confident23 Ų2344.7 Ų44.719%0.1924%0.243CC..THydrogen-bonded Turntrans-64.6-20.6-173.800000115E79 L211 L212A71-E79 HydrophobicContact CB-CG 4.23Å; A71-E79 WeakPolarHBondContact O-CB 3.34Å; A71-L211 HydrophobicContact CB-CD2 3.46Å; A71-L211 VanDerWaalsContact CB-CD2 3.46Å; A71-L212 WeakPolarHBondContact O-CD2 3.28Å
72A78.5Confident85.6Confident50 Ų5039.9 Ų39.941%0.41323%0.225SC..THydrogen-bonded Turntrans-90.5-0.8-178.800000114.2G70 A74 G75 E79G70-A72 PolarHBondContact O-N 3.21Å; A72-A74 VanDerWaalsContact C-N 3.28Å; A72-A74 PolarHBondContact O-N 3.2Å; A72-G75 PolarHBondContact O-N 3.34Å; A72-E79 WeakPolarHBondContact CB-OE2 3.34Å
73A80.6Confident85.5Confident7 Ų744 Ų446%0.05824%0.244CC..THydrogen-bonded Turntrans-56.1-40.6-17300000113.1I62 E66 G70 G75 L212I62-A73 WeakPolarHBondContact CG2-O 3.26Å; E66-A73 HydrophobicContact CB-CB 4.05Å; E66-A73 WeakPolarHBondContact O-CB 3.27Å; G70-A73 WeakPolarHBondContact O-CB 3.32Å; G70-A73 PolarHBondContact O-N 3.29Å; A73-G75 VanDerWaalsContact C-N 3.3Å; A73-G75 PolarHBondContact O-N 2.82Å; A73-L212 HydrophobicContact CB-CD1 4.34Å
74A81.9Confident85.3Confident0 Ų052.3 Ų52.30%028%0.28CS..THydrogen-bonded Turntrans-90.818.5-179.100000113.9L11 I63 A72 V78 L212L11-A74 WeakPolarHBondContact CD2-O 3.16Å; I63-A74 HydrophobicContact CD1-CB 4.36Å; I63-A74 HydrophobicContact CG1-CB 3.65Å; A72-A74 VanDerWaalsContact C-N 3.28Å; A72-A74 PolarHBondContact O-N 3.2Å; A74-V78 HydrophobicContact CB-CB 4.13Å; A74-V78 HydrophobicContact CB-CG1 3.93Å; A74-V78 HydrophobicContact CB-CG2 4.23Å; A74-V78 WeakPolarHBondContact O-CG2 3.44Å; A74-L212 HydrophobicContact CB-CD2 3.89Å
75G87.8Confident85.2Confident3 Ų351.7 Ų51.73%0.03128%0.277CS..  trans94.1161.8-17800000113.6D12 A72 A73 V77 E79D12-G75 WeakPolarHBondContact OD1-CA 3.36Å; D12-G75 WeakPolarHBondContact OD2-CA 3.28Å; A72-G75 PolarHBondContact O-N 3.34Å; A73-G75 VanDerWaalsContact C-N 3.3Å; A73-G75 PolarHBondContact O-N 2.82Å; G75-V77 VanDerWaalsContact C-N 3.33Å; G75-V77 PolarHBondContact O-N 2.96Å; G75-E79 PolarHBondContact O-N 2.96Å
76K89.7Confident85Confident158 Ų15848.5 Ų48.569%0.68726%0.262SS*.Hα-helixtrans-72.3-28.1-173.6-66.4-176.5178.2-178.20112.4D12 A80D12-K76 VanDerWaalsContact CG-N 3.35Å; D12-K76 PolarHBondContact OD1-N 3.47Å; D12-K76 VanDerWaalsContact OD1-N 3.1Å; D12-K76 PolarHBondContact OD2-N 3.24Å; K76-A80 VanDerWaalsContact O-CB 3.25Å; K76-A80 WeakPolarHBondContact O-CB 3.34Å; K76-A80 PolarHBondContact O-N 3.33Å
77V91Very high84.6Confident26 Ų2647.7 Ų47.716%0.15828%0.277CS..Hα-helixtrans-66.6-49.3178.2176.90000109D12 F15 G75 E79 A80 F81 V219D12-V77 HydrophobicContact CB-CG2 3.92Å; D12-V77 VanDerWaalsContact OD1-CB 3.28Å; D12-V77 WeakPolarHBondContact OD1-CB 3.49Å; D12-V77 WeakPolarHBondContact OD1-CG2 3.45Å; D12-V77 PolarHBondContact OD1-N 3.18Å; F15-V77 HydrophobicContact CB-CG1 4.33Å; G75-V77 VanDerWaalsContact C-N 3.33Å; G75-V77 PolarHBondContact O-N 2.96Å; V77-E79 PolarHBondContact O-N 3.48Å; V77-A80 PolarHBondContact O-N 2.72Å; V77-F81 HydrophobicContact CG1-CD2 3.86Å; V77-F81 HydrophobicContact CG1-CE2 3.9Å; V77-F81 VanDerWaalsContact O-CD2 3.28Å; V77-F81 WeakPolarHBondContact O-CD2 3.12Å; V77-F81 PolarHBondContact O-N 2.9Å; V77-V219 HydrophobicContact CG1-CG1 4.13Å; V77-V219 HydrophobicContact CG1-CG2 3.82Å
78V90Very high84.3Confident0 Ų051.3 Ų51.30%031%0.314CS..Hα-helixtrans-59-47.8177.3171.20000111.2L11 F15 A74 A80 F81 G82 L212 G215 D216 V219L11-V78 HydrophobicContact CD2-CG2 4.43Å; F15-V78 HydrophobicContact CD2-CG2 4.19Å; F15-V78 HydrophobicContact CE2-CG2 3.63Å; F15-V78 HydrophobicContact CZ-CG2 4.49Å; A74-V78 HydrophobicContact CB-CB 4.13Å; A74-V78 HydrophobicContact CB-CG1 3.93Å; A74-V78 HydrophobicContact CB-CG2 4.23Å; A74-V78 WeakPolarHBondContact O-CG2 3.44Å; V78-A80 PolarHBondContact O-N 3.46Å; V78-F81 PolarHBondContact O-N 3.43Å; V78-G82 PolarHBondContact O-N 2.74Å; V78-L212 HydrophobicContact CG1-CD2 4.24Å; V78-L212 WeakPolarHBondContact CG1-O 3.49Å; V78-G215 WeakPolarHBondContact O-CA 3.26Å; V78-D216 HydrophobicContact CG1-CB 4.27Å; V78-V219 HydrophobicContact CG2-CG2 4.48Å
79E89.5Confident84.4Confident57 Ų5751.1 Ų51.127%0.26632%0.316SS..Hα-helixtrans-57-47.9177.1-178.3178.7-157.100112.2A71 A72 G75 V77 F81 G82 H83A71-E79 HydrophobicContact CB-CG 4.23Å; A71-E79 WeakPolarHBondContact O-CB 3.34Å; A72-E79 WeakPolarHBondContact CB-OE2 3.34Å; G75-E79 PolarHBondContact O-N 2.96Å; V77-E79 PolarHBondContact O-N 3.48Å; E79-F81 PolarHBondContact O-N 3.12Å; E79-G82 PolarHBondContact O-N 2.94Å; E79-H83 PolarHBondContact O-CD2 2.89Å; E79-H83 PolarHBondContact O-N 2.87Å
80A89.6Confident84.2Confident61 Ų6151.8 Ų51.850%0.50431%0.311SS..Hα-helixtrans-62.5-44.2-178.900000112.2K76 V77 V78 F84K76-A80 VanDerWaalsContact O-CB 3.25Å; K76-A80 WeakPolarHBondContact O-CB 3.34Å; K76-A80 PolarHBondContact O-N 3.33Å; V77-A80 PolarHBondContact O-N 2.72Å; V78-A80 PolarHBondContact O-N 3.46Å; A80-F84 VanDerWaalsContact O-CB 3.26Å; A80-F84 WeakPolarHBondContact O-CB 3.23Å; A80-F84 PolarHBondContact O-N 2.91Å
81F89Confident84.4Confident53 Ų5352.8 Ų52.823%0.23232%0.317CS..Hα-helixtrans-67.7-38.4176.6-84.3-77000112.4I19 V77 V78 E79 F84 L85 L218 V219 I222I19-F81 HydrophobicContact CD1-CE2 4.22Å; I19-F81 HydrophobicContact CD1-CZ 4.4Å; V77-F81 HydrophobicContact CG1-CD2 3.86Å; V77-F81 HydrophobicContact CG1-CE2 3.9Å; V77-F81 VanDerWaalsContact O-CD2 3.28Å; V77-F81 WeakPolarHBondContact O-CD2 3.12Å; V77-F81 PolarHBondContact O-N 2.9Å; V78-F81 PolarHBondContact O-N 3.43Å; E79-F81 PolarHBondContact O-N 3.12Å; F81-F84 PolarHBondContact O-N 3.36Å; F81-L85 PolarHBondContact O-N 3.24Å; F81-L218 HydrophobicContact CB-CB 4.23Å; F81-L218 HydrophobicContact CB-CD1 4.43Å; F81-L218 HydrophobicContact CD1-CB 4.36Å; F81-L218 WeakPolarHBondContact O-CD1 3.47Å; F81-V219 HydrophobicContact CB-CG2 3.85Å; F81-V219 HydrophobicContact CD2-CG2 3.3Å; F81-V219 HydrophobicContact CE2-CG2 4.02Å; F81-V219 HydrophobicContact CG-CG2 3.71Å; F81-I222 HydrophobicContact CD1-CD1 3.84Å; F81-I222 HydrophobicContact CE1-CD1 3.14Å; F81-I222 HydrophobicContact CZ-CD1 3.78Å
82G87.7Confident84.8Confident0 Ų056.1 Ų56.10%033%0.331CS..Hα-helixtrans-60.4-50.717600000111.6V78 E79 L85 V86V78-G82 PolarHBondContact O-N 2.74Å; E79-G82 PolarHBondContact O-N 2.94Å; G82-L85 PolarHBondContact O-N 3.1Å; G82-V86 WeakPolarHBondContact O-CB 3.41Å; G82-V86 WeakPolarHBondContact O-CG2 3.46Å; G82-V86 PolarHBondContact O-N 3.19Å; G82-V86 VanDerWaalsContact O-N 3.11Å
83H87.3Confident85.1Confident91 Ų9153.8 Ų53.842%0.42131%0.311SS..Hα-helixtrans-66.4-37.2177.7-81.7-60.6000113.4E79 L85 G87E79-H83 PolarHBondContact O-CD2 2.89Å; E79-H83 PolarHBondContact O-N 2.87Å; H83-L85 VanDerWaalsContact C-N 3.31Å; H83-L85 PolarHBondContact O-N 3.35Å; H83-G87 PolarHBondContact O-N 3.49Å
84F86.1Confident85.4Confident173 Ų17356.6 Ų56.676%0.75933%0.325SS*.Hα-helixtrans-58.4-42178.7178.3-100.9000112.4A80 F81A80-F84 VanDerWaalsContact O-CB 3.26Å; A80-F84 WeakPolarHBondContact O-CB 3.23Å; A80-F84 PolarHBondContact O-N 2.91Å; F81-F84 PolarHBondContact O-N 3.36Å
85L84.2Confident85.7Confident29 Ų2960.9 Ų60.915%0.15235%0.351CS..Hα-helixtrans-80.9-40.8-179.4-163.884.5000113F81 G82 H83 G87 V96 F97 L100 I214 L218F81-L85 PolarHBondContact O-N 3.24Å; G82-L85 PolarHBondContact O-N 3.1Å; H83-L85 VanDerWaalsContact C-N 3.31Å; H83-L85 PolarHBondContact O-N 3.35Å; L85-G87 VanDerWaalsContact C-N 3.3Å; L85-G87 PolarHBondContact O-N 3.13Å; L85-V96 HydrophobicContact CD1-CG1 3.75Å; L85-V96 HydrophobicContact CD2-CB 4.43Å; L85-V96 HydrophobicContact CD2-CG1 4.4Å; L85-V96 HydrophobicContact CG-CB 4.46Å; L85-V96 HydrophobicContact CG-CG1 4.17Å; L85-F97 HydrophobicContact CD2-CB 3.6Å; L85-F97 HydrophobicContact CD2-CD2 4.09Å; L85-F97 HydrophobicContact CD2-CG 4.31Å; L85-L100 HydrophobicContact CD1-CD1 3.67Å; L85-I214 HydrophobicContact CB-CG2 4.26Å; L85-I214 HydrophobicContact CD2-CG2 3.56Å; L85-L218 HydrophobicContact CB-CD1 3.57Å; L85-L218 HydrophobicContact CD1-CD1 4.1Å; L85-L218 HydrophobicContact CD1-CD2 4.36Å; L85-L218 HydrophobicContact CD2-CD1 3.91Å; L85-L218 HydrophobicContact CD2-CG 4.49Å; L85-L218 HydrophobicContact CG-CD1 4.04Å
86V83Confident85.8Confident8 Ų863.3 Ų63.35%0.04837%0.365CS..Hα-helixtrans-69.3-31.6-175.1171.30000111.1G82 G88 N89 F90 L211 I214G82-V86 WeakPolarHBondContact O-CB 3.41Å; G82-V86 WeakPolarHBondContact O-CG2 3.46Å; G82-V86 PolarHBondContact O-N 3.19Å; G82-V86 VanDerWaalsContact O-N 3.11Å; V86-G88 PolarHBondContact O-N 3.41Å; V86-N89 VanDerWaalsContact CG1-C 3.46Å; V86-N89 PolarHBondContact O-N 3.22Å; V86-F90 HydrophobicContact CG1-CB 4.43Å; V86-L211 HydrophobicContact CB-CD1 4.32Å; V86-L211 HydrophobicContact CG1-CD1 4.41Å; V86-L211 HydrophobicContact CG2-CD1 4.18Å; V86-I214 HydrophobicContact CG2-CD1 4.09Å; V86-I214 HydrophobicContact CG2-CG2 4.44Å
87G77.8Confident85.8Confident72 Ų7256 Ų5674%0.74233%0.333SS*.THydrogen-bonded Turntrans57.120.8176.500000114H83 L85H83-G87 PolarHBondContact O-N 3.49Å; L85-G87 VanDerWaalsContact C-N 3.3Å; L85-G87 PolarHBondContact O-N 3.13Å
88G76.5Confident85.8Confident75 Ų7557.8 Ų57.877%0.77334%0.344SS*.THydrogen-bonded Turntrans91.6-6.2-174.700000116.2V86V86-G88 PolarHBondContact O-N 3.41Å
89N82.9Confident85.8Confident71 Ų7161.9 Ų61.938%0.3837%0.365SS..  trans-122.9101.4177-173.9-31000111.4V86 A91 I92 G93V86-N89 VanDerWaalsContact CG1-C 3.46Å; V86-N89 PolarHBondContact O-N 3.22Å; N89-A91 PolarHBondContact O-N 2.96Å; N89-A91 WeakPolarHBondContact OD1-CB 3.35Å; N89-A91 PolarHBondContact OD1-N 3.23Å; N89-I92 HydrophobicContact CB-CB 4.17Å; N89-I92 HydrophobicContact CB-CD1 3.89Å; N89-I92 HydrophobicContact CB-CG1 4.06Å; N89-I92 PolarHBondContact O-N 2.9Å; N89-I92 VanDerWaalsContact O-N 3.12Å; N89-I92 PolarHBondContact OD1-N 3.38Å; N89-G93 PolarHBondContact O-N 3.45Å
90F80Confident85.9Confident105 Ų10562.1 Ų62.146%0.46137%0.368SS..Hα-helixtrans-56.6-35.6-17680.3-89.7000112.9V86 G93 I94V86-F90 HydrophobicContact CG1-CB 4.43Å; F90-G93 PolarHBondContact O-N 3.13Å; F90-I94 HydrophobicContact CD2-CD1 3.98Å; F90-I94 HydrophobicContact CE2-CD1 4.39Å; F90-I94 WeakPolarHBondContact O-CG1 3.33Å; F90-I94 PolarHBondContact O-N 3.01Å
91A82.8Confident85.8Confident46 Ų4659.9 Ų59.938%0.3835%0.347SS..Hα-helixtrans-67.5-42.3-179.500000111.4N89 G93 I94 V95N89-A91 PolarHBondContact O-N 2.96Å; N89-A91 WeakPolarHBondContact OD1-CB 3.35Å; N89-A91 PolarHBondContact OD1-N 3.23Å; A91-G93 VanDerWaalsContact C-N 3.33Å; A91-I94 PolarHBondContact O-N 3.42Å; A91-V95 WeakPolarHBondContact O-CG2 3.46Å; A91-V95 PolarHBondContact O-N 2.89Å
92I84.3Confident85.9Confident94 Ų9461.3 Ų61.348%0.48236%0.357SS..Hα-helixtrans-63.1-44172.8-62.8176.9000109.6N89 I94 V95 V96N89-I92 HydrophobicContact CB-CB 4.17Å; N89-I92 HydrophobicContact CB-CD1 3.89Å; N89-I92 HydrophobicContact CB-CG1 4.06Å; N89-I92 PolarHBondContact O-N 2.9Å; N89-I92 VanDerWaalsContact O-N 3.12Å; N89-I92 PolarHBondContact OD1-N 3.38Å; I92-I94 PolarHBondContact O-N 3.17Å; I92-V95 PolarHBondContact O-N 3.42Å; I92-V95 VanDerWaalsContact O-N 3.14Å; I92-V96 HydrophobicContact CG2-CG2 4.09Å; I92-V96 WeakPolarHBondContact O-CG2 3.28Å; I92-V96 PolarHBondContact O-N 2.97Å
93G85.7Confident86Confident0 Ų064.9 Ų64.90%038%0.375CS..Hα-helixtrans-54.9-46.4176.500000113.1N89 F90 A91 V95 F97N89-G93 PolarHBondContact O-N 3.45Å; F90-G93 PolarHBondContact O-N 3.13Å; A91-G93 VanDerWaalsContact C-N 3.33Å; G93-V95 PolarHBondContact O-N 2.87Å; G93-F97 WeakPolarHBondContact O-CB 3.43Å; G93-F97 PolarHBondContact O-N 2.81Å
94I86.6Confident85.9Confident66 Ų6661.3 Ų61.334%0.33836%0.359SS..Hα-helixtrans-59.6-47.7175.7-67165.9000110.8F90 A91 I92 F97 V98 T210 I214F90-I94 HydrophobicContact CD2-CD1 3.98Å; F90-I94 HydrophobicContact CE2-CD1 4.39Å; F90-I94 WeakPolarHBondContact O-CG1 3.33Å; F90-I94 PolarHBondContact O-N 3.01Å; A91-I94 PolarHBondContact O-N 3.42Å; I92-I94 PolarHBondContact O-N 3.17Å; I94-F97 PolarHBondContact O-N 3.35Å; I94-V98 HydrophobicContact CG2-CG2 4.3Å; I94-V98 WeakPolarHBondContact O-CB 3.26Å; I94-V98 VanDerWaalsContact O-CG2 3.28Å; I94-V98 WeakPolarHBondContact O-CG2 3.35Å; I94-V98 PolarHBondContact O-N 3.03Å; I94-T210 HydrophobicContact CD1-CG2 3.89Å; I94-T210 HydrophobicContact CG1-CG2 3.65Å; I94-I214 HydrophobicContact CG1-CD1 4.05Å
95V89.3Confident86Confident90 Ų9055.5 Ų55.555%0.54533%0.334SS..Hα-helixtrans-61.9-49.4-178.1173.30000111A91 I92 G93 F97 V98 I99A91-V95 WeakPolarHBondContact O-CG2 3.46Å; A91-V95 PolarHBondContact O-N 2.89Å; I92-V95 PolarHBondContact O-N 3.42Å; I92-V95 VanDerWaalsContact O-N 3.14Å; G93-V95 PolarHBondContact O-N 2.87Å; V95-F97 VanDerWaalsContact C-N 3.3Å; V95-F97 PolarHBondContact O-N 3.37Å; V95-V98 PolarHBondContact O-N 2.97Å; V95-I99 HydrophobicContact CG1-CD1 4.14Å; V95-I99 WeakPolarHBondContact O-CG1 3.23Å; V95-I99 PolarHBondContact O-N 3.46Å; V95-I99 VanDerWaalsContact O-N 3.07Å
96V89.5Confident86.2Confident54 Ų5459.8 Ų59.833%0.32735%0.354SS..Hα-helixtrans-62.2-41.6178.3179.70000110.3L85 I92 I99 L100L85-V96 HydrophobicContact CD1-CG1 3.75Å; L85-V96 HydrophobicContact CD2-CB 4.43Å; L85-V96 HydrophobicContact CD2-CG1 4.4Å; L85-V96 HydrophobicContact CG-CB 4.46Å; L85-V96 HydrophobicContact CG-CG1 4.17Å; I92-V96 HydrophobicContact CG2-CG2 4.09Å; I92-V96 WeakPolarHBondContact O-CG2 3.28Å; I92-V96 PolarHBondContact O-N 2.97Å; V96-I99 WeakPolarHBondContact O-CB 3.28Å; V96-I99 PolarHBondContact O-N 3.13Å; V96-L100 HydrophobicContact CG1-CD1 4.37Å; V96-L100 WeakPolarHBondContact O-CG 3.02Å; V96-L100 PolarHBondContact O-N 3.21Å
97F89.5Confident86.5Confident5 Ų564 Ų642%0.02238%0.379CS..Hα-helixtrans-63.1-44.8178.8-175-111.4000112.3L85 G93 I94 V95 I99 L100 V101 M183 I214 L218L85-F97 HydrophobicContact CD2-CB 3.6Å; L85-F97 HydrophobicContact CD2-CD2 4.09Å; L85-F97 HydrophobicContact CD2-CG 4.31Å; G93-F97 WeakPolarHBondContact O-CB 3.43Å; G93-F97 PolarHBondContact O-N 2.81Å; I94-F97 PolarHBondContact O-N 3.35Å; V95-F97 VanDerWaalsContact C-N 3.3Å; V95-F97 PolarHBondContact O-N 3.37Å; F97-I99 VanDerWaalsContact C-N 3.29Å; F97-I99 PolarHBondContact O-N 3.08Å; F97-L100 PolarHBondContact O-N 2.66Å; F97-V101 HydrophobicContact CD1-CG2 4.08Å; F97-V101 HydrophobicContact CE1-CG2 3.74Å; F97-V101 HydrophobicContact CE2-CG2 4.21Å; F97-V101 HydrophobicContact CG-CG2 4.46Å; F97-V101 HydrophobicContact CZ-CG2 3.79Å; F97-V101 WeakPolarHBondContact O-CG2 3.31Å; F97-V101 PolarHBondContact O-N 2.97Å; F97-M183 HydrophobicContact CD1-CE 4.43Å; F97-M183 HydrophobicContact CD1-SD 4.13Å; F97-M183 HydrophobicContact CE1-CE 3.57Å; F97-M183 HydrophobicContact CE1-CG 3.72Å; F97-M183 HydrophobicContact CE1-SD 3.51Å; F97-M183 VanDerWaalsContact CE1-SD 3.51Å; F97-M183 HydrophobicContact CZ-CE 4.19Å; F97-M183 HydrophobicContact CZ-CG 4.45Å; F97-I214 HydrophobicContact CB-CD1 4.5Å; F97-I214 HydrophobicContact CB-CG1 4.22Å; F97-I214 HydrophobicContact CB-CG2 4.3Å; F97-I214 HydrophobicContact CD1-CG1 4.1Å; F97-I214 HydrophobicContact CD2-CG2 4.02Å; F97-I214 HydrophobicContact CG-CB 4.5Å; F97-I214 HydrophobicContact CG-CG1 4.06Å; F97-I214 HydrophobicContact CG-CG2 4.18Å; F97-L218 HydrophobicContact CD2-CD2 4.17Å; F97-L218 HydrophobicContact CD2-CG 4.01Å; F97-L218 HydrophobicContact CE2-CD2 4.3Å; F97-L218 HydrophobicContact CE2-CG 4Å
98V90.1Very high86.9Confident63 Ų6362.5 Ų62.538%0.38235%0.354SS..Hα-helixtrans-59.7-40.4175.1169.40000111I94 V95 V101 I102I94-V98 HydrophobicContact CG2-CG2 4.3Å; I94-V98 WeakPolarHBondContact O-CB 3.26Å; I94-V98 VanDerWaalsContact O-CG2 3.28Å; I94-V98 WeakPolarHBondContact O-CG2 3.35Å; I94-V98 PolarHBondContact O-N 3.03Å; V95-V98 PolarHBondContact O-N 2.97Å; V98-V101 PolarHBondContact O-N 3.08Å; V98-I102 HydrophobicContact CG1-CD1 3.81Å; V98-I102 HydrophobicContact CG1-CG1 4.46Å; V98-I102 WeakPolarHBondContact O-CB 3.07Å; V98-I102 VanDerWaalsContact O-CG1 3.24Å; V98-I102 WeakPolarHBondContact O-CG1 3.37Å; V98-I102 PolarHBondContact O-N 2.57Å
99I91.3Very high87.3Confident87 Ų8759.1 Ų59.145%0.44632%0.319SS..Hα-helixtrans-62-46.7175.1-67.8166.5000110.8V95 V96 F97 V101 I102 I103V95-I99 HydrophobicContact CG1-CD1 4.14Å; V95-I99 WeakPolarHBondContact O-CG1 3.23Å; V95-I99 PolarHBondContact O-N 3.46Å; V95-I99 VanDerWaalsContact O-N 3.07Å; V96-I99 WeakPolarHBondContact O-CB 3.28Å; V96-I99 PolarHBondContact O-N 3.13Å; F97-I99 VanDerWaalsContact C-N 3.29Å; F97-I99 PolarHBondContact O-N 3.08Å; I99-V101 VanDerWaalsContact C-N 3.34Å; I99-V101 PolarHBondContact O-N 3.34Å; I99-I102 PolarHBondContact O-N 3.18Å; I99-I103 HydrophobicContact CG2-CD1 3.75Å; I99-I103 HydrophobicContact CG2-CG1 4.37Å; I99-I103 WeakPolarHBondContact O-CG1 3.42Å; I99-I103 PolarHBondContact O-N 2.97Å
100L90.3Very high87.4Confident62 Ų6261.5 Ų61.533%0.32533%0.326SS..Hα-helixtrans-61-43178.3-69.8176.8000112L85 V96 F97 I102 I103 N104 L218L85-L100 HydrophobicContact CD1-CD1 3.67Å; V96-L100 HydrophobicContact CG1-CD1 4.37Å; V96-L100 WeakPolarHBondContact O-CG 3.02Å; V96-L100 PolarHBondContact O-N 3.21Å; F97-L100 PolarHBondContact O-N 2.66Å; L100-I102 VanDerWaalsContact C-N 3.35Å; L100-I102 PolarHBondContact O-N 3.37Å; L100-I103 PolarHBondContact O-N 3.08Å; L100-N104 VanDerWaalsContact O-CB 3.28Å; L100-N104 WeakPolarHBondContact O-CB 3.34Å; L100-N104 PolarHBondContact O-N 3.31Å; L100-L218 HydrophobicContact CD1-CD2 3.7Å
101V88.8Confident87.7Confident13 Ų1357.8 Ų57.88%0.07932%0.317CS..Hα-helixtrans-58.6-47.1174.8170.80000110.9F97 V98 I99 N104 F105 I180 M183F97-V101 HydrophobicContact CD1-CG2 4.08Å; F97-V101 HydrophobicContact CE1-CG2 3.74Å; F97-V101 HydrophobicContact CE2-CG2 4.21Å; F97-V101 HydrophobicContact CG-CG2 4.46Å; F97-V101 HydrophobicContact CZ-CG2 3.79Å; F97-V101 WeakPolarHBondContact O-CG2 3.31Å; F97-V101 PolarHBondContact O-N 2.97Å; V98-V101 PolarHBondContact O-N 3.08Å; I99-V101 VanDerWaalsContact C-N 3.34Å; I99-V101 PolarHBondContact O-N 3.34Å; V101-N104 PolarHBondContact O-N 3Å; V101-F105 WeakPolarHBondContact O-CB 3.33Å; V101-F105 PolarHBondContact O-N 3.29Å; V101-I180 HydrophobicContact CG1-CD1 3.79Å; V101-I180 HydrophobicContact CG1-CG1 3.56Å; V101-M183 HydrophobicContact CB-CE 4.37Å; V101-M183 HydrophobicContact CG1-CE 4.01Å; V101-M183 HydrophobicContact CG2-CE 3.54Å
102I90.5Very high87.7Confident83 Ų8356.6 Ų56.643%0.42631%0.307SS..Hα-helixtrans-63.1-47.2179.5-71.7168.3000110.5V98 I99 L100 N104 F105 M106V98-I102 HydrophobicContact CG1-CD1 3.81Å; V98-I102 HydrophobicContact CG1-CG1 4.46Å; V98-I102 WeakPolarHBondContact O-CB 3.07Å; V98-I102 VanDerWaalsContact O-CG1 3.24Å; V98-I102 WeakPolarHBondContact O-CG1 3.37Å; V98-I102 PolarHBondContact O-N 2.57Å; I99-I102 PolarHBondContact O-N 3.18Å; L100-I102 VanDerWaalsContact C-N 3.35Å; L100-I102 PolarHBondContact O-N 3.37Å; I102-N104 PolarHBondContact O-N 2.8Å; I102-F105 PolarHBondContact O-N 3.29Å; I102-M106 HydrophobicContact CG2-CG 4.31Å; I102-M106 HydrophobicContact CG2-SD 3.86Å; I102-M106 VanDerWaalsContact O-CB 3.27Å; I102-M106 WeakPolarHBondContact O-CB 3.34Å; I102-M106 PolarHBondContact O-N 2.98Å
103I90.4Very high87.6Confident76 Ų7652.9 Ų52.939%0.3929%0.292SS..Iπ-helixtrans-60.1-48.6178.1-69.5170.5000110I99 L100 F105 V107 I108I99-I103 HydrophobicContact CG2-CD1 3.75Å; I99-I103 HydrophobicContact CG2-CG1 4.37Å; I99-I103 WeakPolarHBondContact O-CG1 3.42Å; I99-I103 PolarHBondContact O-N 2.97Å; L100-I103 PolarHBondContact O-N 3.08Å; I103-F105 PolarHBondContact O-N 3.49Å; I103-V107 WeakPolarHBondContact O-CA 3.35Å; I103-V107 VanDerWaalsContact O-CB 3.29Å; I103-V107 WeakPolarHBondContact O-CB 3.46Å; I103-V107 PolarHBondContact O-N 3.36Å; I103-I108 HydrophobicContact CG2-CD1 4Å; I103-I108 HydrophobicContact CG2-CG1 4.37Å; I103-I108 PolarHBondContact O-N 2.93Å; I103-I108 VanDerWaalsContact O-N 3.15Å
104N85.3Confident87.7Confident15 Ų1559.7 Ų59.78%0.0832%0.318CS..Iπ-helixtrans-58.7-49.3179.9-173.251.7000111.2L100 V101 I102 I108 T109L100-N104 VanDerWaalsContact O-CB 3.28Å; L100-N104 WeakPolarHBondContact O-CB 3.34Å; L100-N104 PolarHBondContact O-N 3.31Å; V101-N104 PolarHBondContact O-N 3Å; I102-N104 PolarHBondContact O-N 2.8Å; N104-I108 WeakPolarHBondContact O-CB 3.49Å; N104-I108 PolarHBondContact O-N 3.15Å; N104-T109 WeakPolarHBondContact O-CB 3.24Å; N104-T109 PolarHBondContact O-N 2.95Å; N104-T109 PolarHBondContact O-OG1 3.45Å
105F87.2Confident87.7Confident52 Ų5260.1 Ų60.123%0.22832%0.32CS..Iπ-helixtrans-73.4-54-178.3178.3-109.2000113.6V101 I102 I103 K110 R173 A176 I177 I180V101-F105 WeakPolarHBondContact O-CB 3.33Å; V101-F105 PolarHBondContact O-N 3.29Å; I102-F105 PolarHBondContact O-N 3.29Å; I103-F105 PolarHBondContact O-N 3.49Å; F105-K110 WeakPolarHBondContact O-CB 3.49Å; F105-K110 PolarHBondContact O-N 2.93Å; F105-K110 VanDerWaalsContact O-N 3.16Å; F105-R173 HydrophobicContact CE2-CG 4.5Å; F105-A176 HydrophobicContact CD2-CB 3.9Å; F105-I177 HydrophobicContact CD2-CG1 4.38Å; F105-I177 HydrophobicContact CE2-CD1 4.16Å; F105-I177 HydrophobicContact CE2-CG1 3.53Å; F105-I177 HydrophobicContact CZ-CD1 4.45Å; F105-I177 HydrophobicContact CZ-CG1 4.06Å; F105-I180 HydrophobicContact CB-CD1 4.17Å; F105-I180 HydrophobicContact CD2-CD1 4.47Å; F105-I180 HydrophobicContact CG-CD1 4.16Å
106M88.8Confident87.4Confident118 Ų11855.9 Ų55.958%0.58130%0.295SS*.Iπ-helixtrans-77.8-38.8-170.6-72.9-171.857.700113.6I102 K110I102-M106 HydrophobicContact CG2-CG 4.31Å; I102-M106 HydrophobicContact CG2-SD 3.86Å; I102-M106 VanDerWaalsContact O-CB 3.27Å; I102-M106 WeakPolarHBondContact O-CB 3.34Å; I102-M106 PolarHBondContact O-N 2.98Å; M106-K110 WeakPolarHBondContact O-CB 3.36Å
107V89.1Confident87.3Confident96 Ų9657.4 Ų57.458%0.58230%0.298SS*.Iπ-helixtrans-92.2-52.3-175.8-178.20000109.5I103 G111I103-V107 WeakPolarHBondContact O-CA 3.35Å; I103-V107 VanDerWaalsContact O-CB 3.29Å; I103-V107 WeakPolarHBondContact O-CB 3.46Å; I103-V107 PolarHBondContact O-N 3.36Å; V107-G111 WeakPolarHBondContact O-CA 3.48Å; V107-G111 PolarHBondContact O-N 3.48Å; V107-G111 VanDerWaalsContact O-N 3.12Å
108I87Confident87.2Confident41 Ų4159.6 Ų59.621%0.2131%0.312CS..Iπ-helixtrans-87.7-59.9-164-55.6-179.2000111I103 N104 K110 G111 A112 L225I103-I108 HydrophobicContact CG2-CD1 4Å; I103-I108 HydrophobicContact CG2-CG1 4.37Å; I103-I108 PolarHBondContact O-N 2.93Å; I103-I108 VanDerWaalsContact O-N 3.15Å; N104-I108 WeakPolarHBondContact O-CB 3.49Å; N104-I108 PolarHBondContact O-N 3.15Å; I108-K110 PolarHBondContact O-N 3.5Å; I108-G111 PolarHBondContact O-N 2.87Å; I108-A112 VanDerWaalsContact O-CB 3.28Å; I108-A112 WeakPolarHBondContact O-CB 3.24Å; I108-A112 PolarHBondContact O-N 3.41Å; I108-L225 HydrophobicContact CD1-CD1 3.13Å; I108-L225 HydrophobicContact CG1-CD1 4.38Å; I108-L225 HydrophobicContact CG2-CD1 4.11Å
109T83.2Confident86.9Confident5 Ų557.4 Ų57.43%0.03130%0.302CS..Iπ-helixtrans-63.1-45.8-179-530000111.8N104 G113 V172 R173 A176N104-T109 WeakPolarHBondContact O-CB 3.24Å; N104-T109 PolarHBondContact O-N 2.95Å; N104-T109 PolarHBondContact O-OG1 3.45Å; T109-G113 PolarHBondContact O-N 3.4Å; T109-V172 HydrophobicContact CG2-CG1 4.1Å; T109-R173 HydrophobicContact CG2-CB 4.05Å; T109-R173 HydrophobicContact CG2-CG 4.48Å; T109-A176 HydrophobicContact CG2-CB 4.08Å
110K85.6Confident86.6Confident121 Ų12153.5 Ų53.553%0.52628%0.283SS..Hα-helixtrans-68.4-37.2177.8-167.7178.5-179.8-177.70112.3F105 M106 I108 R114F105-K110 WeakPolarHBondContact O-CB 3.49Å; F105-K110 PolarHBondContact O-N 2.93Å; F105-K110 VanDerWaalsContact O-N 3.16Å; M106-K110 WeakPolarHBondContact O-CB 3.36Å; I108-K110 PolarHBondContact O-N 3.5Å; K110-R114 PolarHBondContact O-N 2.88Å; K110-R114 VanDerWaalsContact O-N 3.1Å
111G85.7Confident86.5Confident27 Ų2758.9 Ų58.928%0.27830%0.299SS..Hα-helixtrans-64.3-52.7175.500000112V107 I108 G113 R114 I115V107-G111 WeakPolarHBondContact O-CA 3.48Å; V107-G111 PolarHBondContact O-N 3.48Å; V107-G111 VanDerWaalsContact O-N 3.12Å; I108-G111 PolarHBondContact O-N 2.87Å; G111-G113 VanDerWaalsContact C-N 3.31Å; G111-G113 PolarHBondContact O-N 3.02Å; G111-R114 PolarHBondContact O-N 3.43Å; G111-R114 VanDerWaalsContact O-N 3.1Å; G111-I115 WeakPolarHBondContact O-CG1 3.18Å; G111-I115 PolarHBondContact O-N 3.23Å
112A82.9Confident86.4Confident20 Ų2065.4 Ų65.417%0.16533%0.326CS..Hα-helixtrans-57.8-42.3177.900000112.1I108 R114 I115 A116I108-A112 VanDerWaalsContact O-CB 3.28Å; I108-A112 WeakPolarHBondContact O-CB 3.24Å; I108-A112 PolarHBondContact O-N 3.41Å; A112-R114 PolarHBondContact O-N 2.79Å; A112-I115 PolarHBondContact O-N 3.35Å; A112-A116 WeakPolarHBondContact O-CB 3.45Å; A112-A116 PolarHBondContact O-N 3.36Å
113G83.6Confident86.1Confident17 Ų1762.7 Ų62.718%0.17531%0.314CS..Hα-helixtrans-61-42.617500000112.9T109 G111 A116 E117T109-G113 PolarHBondContact O-N 3.4Å; G111-G113 VanDerWaalsContact C-N 3.31Å; G111-G113 PolarHBondContact O-N 3.02Å; G113-A116 PolarHBondContact O-N 3.4Å; G113-E117 WeakPolarHBondContact O-CB 3.41Å; G113-E117 PolarHBondContact O-N 3.4Å
114R87.6Confident85.8Confident143 Ų14363 Ų6354%0.5432%0.315SS..Hα-helixtrans-67.3-38.7178.1-173.257.7171.9-178.62.9112.3K110 G111 A112 E117 V118K110-R114 PolarHBondContact O-N 2.88Å; K110-R114 VanDerWaalsContact O-N 3.1Å; G111-R114 PolarHBondContact O-N 3.43Å; G111-R114 VanDerWaalsContact O-N 3.1Å; A112-R114 PolarHBondContact O-N 2.79Å; R114-E117 WeakPolarHBondContact CD-OE2 2.97Å; R114-E117 IonicContact CZ-OE2 3.71Å; R114-E117 IonicContact NH1-OE1 3.44Å; R114-E117 PolarHBondContact NH1-OE1 3.5Å; R114-E117 IonicContact NH1-OE2 2.73Å; R114-E117 PolarHBondContact NH1-OE2 3.46Å; R114-E117 PolarHBondContact O-N 3.16Å; R114-V118 HydrophobicContact CG-CG2 4.38Å; R114-V118 WeakPolarHBondContact O-CB 3.07Å; R114-V118 VanDerWaalsContact O-CG2 3.23Å; R114-V118 WeakPolarHBondContact O-CG2 3.39Å; R114-V118 PolarHBondContact O-N 3.42Å
115I86.3Confident86Confident74 Ų7467.5 Ų67.538%0.37934%0.339SS..Hα-helixtrans-64.6-43.5177.2-66166.9000110.2G111 A112 G119 V235 T236G111-I115 WeakPolarHBondContact O-CG1 3.18Å; G111-I115 PolarHBondContact O-N 3.23Å; A112-I115 PolarHBondContact O-N 3.35Å; I115-G119 PolarHBondContact O-N 2.91Å; I115-V235 HydrophobicContact CG2-CB 4.17Å; I115-V235 HydrophobicContact CG2-CG1 3.67Å; I115-T236 HydrophobicContact CG2-CG2 3.75Å
116A83.6Confident86.1Confident2 Ų266.6 Ų66.62%0.01735%0.345CS..Hα-helixtrans-62.1-46.2175.300000112.8A112 G113 G119 A120 M165A112-A116 WeakPolarHBondContact O-CB 3.45Å; A112-A116 PolarHBondContact O-N 3.36Å; G113-A116 PolarHBondContact O-N 3.4Å; A116-G119 PolarHBondContact O-N 3.49Å; A116-A120 WeakPolarHBondContact O-CB 3.28Å; A116-A120 PolarHBondContact O-N 2.88Å; A116-M165 HydrophobicContact CB-CG 4.36Å
117E86.3Confident86.1Confident86 Ų8662.9 Ų62.940%0.40233%0.327SS..Hα-helixtrans-59.1-48.9177.7-176.9-165.5167.700111.5G113 R114 R121G113-E117 WeakPolarHBondContact O-CB 3.41Å; G113-E117 PolarHBondContact O-N 3.4Å; R114-E117 WeakPolarHBondContact CD-OE2 2.97Å; R114-E117 IonicContact CZ-OE2 3.71Å; R114-E117 IonicContact NH1-OE1 3.44Å; R114-E117 PolarHBondContact NH1-OE1 3.5Å; R114-E117 IonicContact NH1-OE2 2.73Å; R114-E117 PolarHBondContact NH1-OE2 3.46Å; R114-E117 PolarHBondContact O-N 3.16Å; E117-R121 PolarHBondContact O-N 2.88Å; E117-R121 VanDerWaalsContact O-N 3.12Å
118V87.1Confident86.2Confident51 Ų5161.6 Ų61.631%0.30932%0.32SS..Hα-helixtrans-68.4-43.7-178.31720000110.8R114 A120 R121 F122R114-V118 HydrophobicContact CG-CG2 4.38Å; R114-V118 WeakPolarHBondContact O-CB 3.07Å; R114-V118 VanDerWaalsContact O-CG2 3.23Å; R114-V118 WeakPolarHBondContact O-CG2 3.39Å; R114-V118 PolarHBondContact O-N 3.42Å; V118-A120 PolarHBondContact O-N 3.49Å; V118-R121 PolarHBondContact O-N 3.43Å; V118-F122 HydrophobicContact CG1-CD2 3.52Å; V118-F122 HydrophobicContact CG1-CE2 3.31Å; V118-F122 WeakPolarHBondContact O-CD2 3.13Å; V118-F122 PolarHBondContact O-N 2.97Å
119G84.2Confident86.4Confident17 Ų1761.8 Ų61.818%0.17533%0.332CS..Hα-helixtrans-59.6-45.6176.500000112.3I115 A116 R121 F122 V123I115-G119 PolarHBondContact O-N 2.91Å; A116-G119 PolarHBondContact O-N 3.49Å; G119-R121 VanDerWaalsContact C-N 3.35Å; G119-R121 PolarHBondContact O-N 3.44Å; G119-F122 PolarHBondContact O-N 2.79Å; G119-V123 VanDerWaalsContact O-CG2 3.32Å; G119-V123 WeakPolarHBondContact O-CG2 3.29Å; G119-V123 PolarHBondContact O-N 3.44Å
120A85.3Confident86.7Confident5 Ų565.6 Ų65.64%0.04135%0.348CS..Hα-helixtrans-61.3-43.1177.100000112.6A116 V118 V123 L124 Y162 D166A116-A120 WeakPolarHBondContact O-CB 3.28Å; A116-A120 PolarHBondContact O-N 2.88Å; V118-A120 PolarHBondContact O-N 3.49Å; A120-V123 PolarHBondContact O-N 3.33Å; A120-L124 WeakPolarHBondContact O-CB 3.12Å; A120-L124 WeakPolarHBondContact O-CD1 3.4Å; A120-L124 WeakPolarHBondContact O-CG 3.36Å; A120-L124 PolarHBondContact O-N 2.91Å; A120-Y162 WeakPolarHBondContact CB-O 3.48Å; A120-D166 HydrophobicContact CB-CB 4.13Å
121R88.3Confident87Confident174 Ų17463.1 Ų63.166%0.65734%0.339SS*.Hα-helixtrans-63.6-45.9178.6-168.1171.7-178.1175.51.5112.1E117 V118 G119 V123 L124 D125E117-R121 PolarHBondContact O-N 2.88Å; E117-R121 VanDerWaalsContact O-N 3.12Å; V118-R121 PolarHBondContact O-N 3.43Å; G119-R121 VanDerWaalsContact C-N 3.35Å; G119-R121 PolarHBondContact O-N 3.44Å; R121-V123 PolarHBondContact O-N 2.97Å; R121-L124 PolarHBondContact O-N 2.87Å; R121-D125 WeakPolarHBondContact CG-OD2 3.12Å; R121-D125 IonicContact NE-OD2 3.04Å; R121-D125 VanDerWaalsContact O-CB 3.28Å; R121-D125 WeakPolarHBondContact O-CB 3.5Å; R121-D125 PolarHBondContact O-N 3.37Å
122F86.1Confident87.2Confident151 Ų15168.1 Ų68.166%0.66236%0.357SS*.Hα-helixtrans-63.1-40.8177.8-80.5-61.5000113.1V118 G119 G126V118-F122 HydrophobicContact CG1-CD2 3.52Å; V118-F122 HydrophobicContact CG1-CE2 3.31Å; V118-F122 WeakPolarHBondContact O-CD2 3.13Å; V118-F122 PolarHBondContact O-N 2.97Å; G119-F122 PolarHBondContact O-N 2.79Å; F122-G126 PolarHBondContact O-N 3.49Å
123V84.8Confident87.6Confident26 Ų2669.6 Ų69.616%0.15837%0.368CS..Hα-helixtrans-68.4-41.1178.9172.70000111.1G119 A120 R121 G126 M127 E158 Y162G119-V123 VanDerWaalsContact O-CG2 3.32Å; G119-V123 WeakPolarHBondContact O-CG2 3.29Å; G119-V123 PolarHBondContact O-N 3.44Å; A120-V123 PolarHBondContact O-N 3.33Å; R121-V123 PolarHBondContact O-N 2.97Å; V123-G126 PolarHBondContact O-N 2.92Å; V123-M127 PolarHBondContact O-N 3.2Å; V123-M127 VanDerWaalsContact O-N 3.11Å; V123-E158 HydrophobicContact CG1-CG 4.16Å; V123-Y162 HydrophobicContact CB-CD2 4.06Å; V123-Y162 HydrophobicContact CB-CG 4.34Å; V123-Y162 HydrophobicContact CG1-CD2 3.85Å; V123-Y162 HydrophobicContact CG1-CE2 4.39Å; V123-Y162 HydrophobicContact CG1-CG 4.49Å; V123-Y162 HydrophobicContact CG2-CD1 4.47Å; V123-Y162 HydrophobicContact CG2-CD2 3.73Å; V123-Y162 HydrophobicContact CG2-CE1 4.47Å; V123-Y162 HydrophobicContact CG2-CE2 3.74Å; V123-Y162 HydrophobicContact CG2-CG 4.12Å
124L83.2Confident88Confident81 Ų8169.3 Ų69.342%0.42436%0.363SS..Hα-helixtrans-67.3-44.2177.3-70171000112A120 R121 G126 M127 A159A120-L124 WeakPolarHBondContact O-CB 3.12Å; A120-L124 WeakPolarHBondContact O-CD1 3.4Å; A120-L124 WeakPolarHBondContact O-CG 3.36Å; A120-L124 PolarHBondContact O-N 2.91Å; R121-L124 PolarHBondContact O-N 2.87Å; L124-G126 VanDerWaalsContact C-N 3.29Å; L124-G126 PolarHBondContact O-N 3.42Å; L124-M127 HydrophobicContact CD2-CE 3.86Å; L124-M127 WeakPolarHBondContact O-CB 3.39Å; L124-M127 PolarHBondContact O-N 3.47Å; L124-A159 HydrophobicContact CD2-CB 4.03Å
125D90.6Very high88.3Confident110 Ų11065.2 Ų65.259%0.58835%0.352SS*.Hα-helixtrans-67.3-31.8178.1-69.2-16.9000111.4R121 P128R121-D125 WeakPolarHBondContact CG-OD2 3.12Å; R121-D125 IonicContact NE-OD2 3.04Å; R121-D125 VanDerWaalsContact O-CB 3.28Å; R121-D125 WeakPolarHBondContact O-CB 3.5Å; R121-D125 PolarHBondContact O-N 3.37Å; D125-P128 WeakPolarHBondContact O-CD 2.96Å
126G88.4Confident88.5Confident33 Ų3364.3 Ų64.334%0.3436%0.355SS..Hα-helixtrans-81.9-11.5177.100000115.2F122 V123 L124 G129 K130F122-G126 PolarHBondContact O-N 3.49Å; V123-G126 PolarHBondContact O-N 2.92Å; L124-G126 VanDerWaalsContact C-N 3.29Å; L124-G126 PolarHBondContact O-N 3.42Å; G126-G129 PolarHBondContact O-N 3.43Å; G126-K130 PolarHBondContact O-N 3.04Å; G126-K130 VanDerWaalsContact O-N 3.13Å
127M89.2Confident88.9Confident40 Ų4066.6 Ų66.620%0.19737%0.367CS..Hα-helixtrans-59.5-45.7-176.2-172.3-166.9-46.900113.6V123 L124 G129 K130 Q131 V155 A159V123-M127 PolarHBondContact O-N 3.2Å; V123-M127 VanDerWaalsContact O-N 3.11Å; L124-M127 HydrophobicContact CD2-CE 3.86Å; L124-M127 WeakPolarHBondContact O-CB 3.39Å; L124-M127 PolarHBondContact O-N 3.47Å; M127-G129 VanDerWaalsContact C-N 3.25Å; M127-G129 PolarHBondContact O-N 3.45Å; M127-K130 PolarHBondContact O-N 3.19Å; M127-Q131 HydrophobicContact CG-CG 4.39Å; M127-Q131 WeakPolarHBondContact O-CG 3.45Å; M127-Q131 PolarHBondContact O-N 3.16Å; M127-V155 HydrophobicContact CG-CG1 3.67Å; M127-A159 HydrophobicContact CE-CB 3.11Å; M127-A159 HydrophobicContact SD-CB 4.47Å
128P90.1Very high89Confident69 Ų6964.8 Ų64.845%0.44836%0.36SS..Hα-helixtrans-59.2-39.6178.4-23.735.5000111.8D125 Q131 M132D125-P128 WeakPolarHBondContact O-CD 2.96Å; P128-Q131 PolarHBondContact O-N 3.4Å; P128-M132 WeakPolarHBondContact O-CB 3.04Å; P128-M132 WeakPolarHBondContact O-CG 3.47Å; P128-M132 PolarHBondContact O-N 3.43Å
129G91.5Very high88.9Confident45 Ų4569 Ų6946%0.46438%0.381SS..Hα-helixtrans-62.9-44.9176.700000112.8G126 M127 M132 A133G126-G129 PolarHBondContact O-N 3.43Å; M127-G129 VanDerWaalsContact C-N 3.25Å; M127-G129 PolarHBondContact O-N 3.45Å; G129-M132 PolarHBondContact O-N 2.83Å; G129-A133 WeakPolarHBondContact O-CB 3.41Å; G129-A133 PolarHBondContact O-N 3.34Å
130K90Very high89.1Confident85 Ų8571.6 Ų71.637%0.3740%0.401SS..Hα-helixtrans-62.9-41.7175.2-70.2-171.6-175.8-176.20112G126 M127 A133 I134 V155 E158G126-K130 PolarHBondContact O-N 3.04Å; G126-K130 VanDerWaalsContact O-N 3.13Å; M127-K130 PolarHBondContact O-N 3.19Å; K130-A133 PolarHBondContact O-N 3.4Å; K130-I134 VanDerWaalsContact O-CG1 3.31Å; K130-I134 WeakPolarHBondContact O-CG1 3.38Å; K130-I134 PolarHBondContact O-N 2.82Å; K130-I134 VanDerWaalsContact O-N 3.1Å; K130-V155 HydrophobicContact CB-CG1 4.38Å; K130-V155 HydrophobicContact CB-CG2 4.21Å; K130-V155 HydrophobicContact CD-CG2 4.18Å; K130-E158 IonicContact NZ-OE1 2.7Å; K130-E158 PolarHBondContact NZ-OE1 2.91Å; K130-E158 IonicContact NZ-OE2 3.6Å; K130-E158 PolarHBondContact NZ-OE2 3.14Å
131Q92.2Very high89Confident70 Ų7074.4 Ų74.433%0.32743%0.43SS..Hα-helixtrans-65.6-43.9178-71.2-174700111.8M127 P128 A133 I134 D135 V155M127-Q131 HydrophobicContact CG-CG 4.39Å; M127-Q131 WeakPolarHBondContact O-CG 3.45Å; M127-Q131 PolarHBondContact O-N 3.16Å; P128-Q131 PolarHBondContact O-N 3.4Å; Q131-A133 VanDerWaalsContact C-N 3.32Å; Q131-A133 PolarHBondContact O-N 3.46Å; Q131-I134 PolarHBondContact O-N 3.15Å; Q131-D135 VanDerWaalsContact O-CG 3.28Å; Q131-D135 PolarHBondContact O-N 3.02Å; Q131-V155 HydrophobicContact CG-CG1 4.4Å
132M90.4Very high88.9Confident132 Ų13272.1 Ų72.165%0.6543%0.43SS*.Hα-helixtrans-61.4-38.6175.1-71.8175.3-178.700112.4P128 G129 D135 A136P128-M132 WeakPolarHBondContact O-CB 3.04Å; P128-M132 WeakPolarHBondContact O-CG 3.47Å; P128-M132 PolarHBondContact O-N 3.43Å; G129-M132 PolarHBondContact O-N 2.83Å; M132-D135 PolarHBondContact O-N 3.44Å; M132-A136 WeakPolarHBondContact O-CB 3.46Å; M132-A136 PolarHBondContact O-N 3.08Å
133A91.4Very high89.1Confident50 Ų5065.7 Ų65.741%0.41340%0.402SS..Hα-helixtrans-63.8-41.7175.500000111.9G129 K130 Q131 D135 A136 D137G129-A133 WeakPolarHBondContact O-CB 3.41Å; G129-A133 PolarHBondContact O-N 3.34Å; K130-A133 PolarHBondContact O-N 3.4Å; Q131-A133 VanDerWaalsContact C-N 3.32Å; Q131-A133 PolarHBondContact O-N 3.46Å; A133-D135 VanDerWaalsContact C-N 3.33Å; A133-D135 PolarHBondContact O-N 3.07Å; A133-A136 PolarHBondContact O-N 2.98Å; A133-D137 PolarHBondContact O-N 3.38Å
134I92.4Very high89.4Confident12 Ų1266.5 Ų66.56%0.06242%0.416CS..Hα-helixtrans-62.9-41.2174.5-64161.2000110.8K130 Q131 D137 L138 I143 A148 R151 R152 V155K130-I134 VanDerWaalsContact O-CG1 3.31Å; K130-I134 WeakPolarHBondContact O-CG1 3.38Å; K130-I134 PolarHBondContact O-N 2.82Å; K130-I134 VanDerWaalsContact O-N 3.1Å; Q131-I134 PolarHBondContact O-N 3.15Å; I134-D137 PolarHBondContact O-N 3.23Å; I134-L138 WeakPolarHBondContact O-CB 3.48Å; I134-L138 PolarHBondContact O-N 2.83Å; I134-I143 HydrophobicContact CG2-CD1 4.05Å; I134-A148 HydrophobicContact CG2-CB 3.93Å; I134-R151 HydrophobicContact CD1-CB 3.76Å; I134-R151 HydrophobicContact CG1-CB 4.12Å; I134-R151 HydrophobicContact CG2-CB 4.39Å; I134-R152 HydrophobicContact CD1-CG 4.28Å; I134-R152 HydrophobicContact CG2-CG 4.2Å; I134-V155 HydrophobicContact CD1-CG2 4.02Å
135D93.2Very high89.9Confident57 Ų5770.2 Ų70.231%0.30543%0.431SS..Hα-helixtrans-67.4-37.8178.2-66.5-13.4000111.8Q131 M132 A133 L138 N139 R152Q131-D135 VanDerWaalsContact O-CG 3.28Å; Q131-D135 PolarHBondContact O-N 3.02Å; M132-D135 PolarHBondContact O-N 3.44Å; A133-D135 VanDerWaalsContact C-N 3.33Å; A133-D135 PolarHBondContact O-N 3.07Å; D135-L138 PolarHBondContact O-N 3.31Å; D135-N139 WeakPolarHBondContact O-CB 3.38Å; D135-N139 VanDerWaalsContact O-CG 3.23Å; D135-N139 PolarHBondContact O-N 3.05Å; D135-N139 PolarHBondContact O-ND2 3.47Å; D135-R152 IonicContact OD1-CZ 3.72Å; D135-R152 IonicContact OD1-NE 2.73Å; D135-R152 PolarHBondContact OD1-NE 3.29Å; D135-R152 IonicContact OD1-NH2 3.71Å; D135-R152 PolarHBondContact OD1-NH2 3.22Å
136A90.1Very high90Very high55 Ų5571.6 Ų71.646%0.45544%0.439SS..Hα-helixtrans-64-45.1174.100000111.4M132 A133 L138 N139 A140M132-A136 WeakPolarHBondContact O-CB 3.46Å; M132-A136 PolarHBondContact O-N 3.08Å; A133-A136 PolarHBondContact O-N 2.98Å; A136-L138 PolarHBondContact O-N 3.43Å; A136-N139 PolarHBondContact O-N 2.88Å; A136-A140 VanDerWaalsContact O-CB 3.26Å; A136-A140 WeakPolarHBondContact O-CB 3.31Å; A136-A140 PolarHBondContact O-N 3.12Å
137D91.7Very high90.2Very high49 Ų4974.1 Ų74.126%0.26244%0.442SS..Hα-helixtrans-62.6-40.9177.2-73.5-11.2000112A133 I134 A140 G141 L142 I143 R151A133-D137 PolarHBondContact O-N 3.38Å; I134-D137 PolarHBondContact O-N 3.23Å; D137-A140 PolarHBondContact O-N 3.01Å; D137-G141 PolarHBondContact O-N 2.92Å; D137-G141 VanDerWaalsContact O-N 3.16Å; D137-L142 HydrophobicContact CB-CB 4.38Å; D137-L142 PolarHBondContact O-N 3.34Å; D137-I143 HydrophobicContact CB-CD1 3.78Å; D137-I143 HydrophobicContact CB-CG1 3.88Å; D137-R151 IonicContact OD2-NH1 3.57Å
138L89.8Confident90.2Very high48 Ų4872.2 Ų72.225%0.25143%0.432SS..Hα-helixtrans-64.1-46.3175.8178.465.6000111.2I134 D135 A136 A140 G141 I143 A148I134-L138 WeakPolarHBondContact O-CB 3.48Å; I134-L138 PolarHBondContact O-N 2.83Å; D135-L138 PolarHBondContact O-N 3.31Å; A136-L138 PolarHBondContact O-N 3.43Å; L138-A140 VanDerWaalsContact C-N 3.3Å; L138-A140 PolarHBondContact O-N 2.94Å; L138-G141 PolarHBondContact O-N 3Å; L138-G141 VanDerWaalsContact O-N 3.13Å; L138-I143 HydrophobicContact CB-CG1 4.26Å; L138-A148 HydrophobicContact CB-CB 4.36Å; L138-A148 HydrophobicContact CD1-CB 4.21Å; L138-A148 HydrophobicContact CD2-CB 4.13Å; L138-A148 HydrophobicContact CG-CB 4.47Å
139N84Confident90.4Very high141 Ų14176.1 Ų76.175%0.75444%0.442SS*.Hα-helixtrans-67.3-30.5178.3-73.4-36.1000112.6D135 A136 G141D135-N139 WeakPolarHBondContact O-CB 3.38Å; D135-N139 VanDerWaalsContact O-CG 3.23Å; D135-N139 PolarHBondContact O-N 3.05Å; D135-N139 PolarHBondContact O-ND2 3.47Å; A136-N139 PolarHBondContact O-N 2.88Å; N139-G141 VanDerWaalsContact C-N 3.26Å
140A87.7Confident90.5Very high71 Ų7180.4 Ų80.459%0.58745%0.448SS*.THydrogen-bonded Turntrans-78.5-7.4174.400000113.4A136 D137 L138 L142A136-A140 VanDerWaalsContact O-CB 3.26Å; A136-A140 WeakPolarHBondContact O-CB 3.31Å; A136-A140 PolarHBondContact O-N 3.12Å; D137-A140 PolarHBondContact O-N 3.01Å; L138-A140 VanDerWaalsContact C-N 3.3Å; L138-A140 PolarHBondContact O-N 2.94Å; A140-L142 VanDerWaalsContact C-N 3.29Å; A140-L142 HydrophobicContact CB-CD1 4.4Å; A140-L142 HydrophobicContact CB-CG 4.18Å; A140-L142 PolarHBondContact O-N 3.42Å
141G83.6Confident90.6Very high64 Ų6480.3 Ų80.366%0.6645%0.445SS*.THydrogen-bonded Turntrans72.816.3-178.300000114.5D137 L138 N139 I143D137-G141 PolarHBondContact O-N 2.92Å; D137-G141 VanDerWaalsContact O-N 3.16Å; L138-G141 PolarHBondContact O-N 3Å; L138-G141 VanDerWaalsContact O-N 3.13Å; N139-G141 VanDerWaalsContact C-N 3.26Å; G141-I143 VanDerWaalsContact C-N 3.33Å
142L86.2Confident90.6Very high126 Ų12681.4 Ų81.466%0.6645%0.447SS*.SBendtrans-74.3-26.7176.5-65.4176.2000112.1D137 A140D137-L142 HydrophobicContact CB-CB 4.38Å; D137-L142 PolarHBondContact O-N 3.34Å; A140-L142 VanDerWaalsContact C-N 3.29Å; A140-L142 HydrophobicContact CB-CD1 4.4Å; A140-L142 HydrophobicContact CB-CG 4.18Å; A140-L142 PolarHBondContact O-N 3.42Å
143I91.2Very high90.7Very high15 Ų1577.8 Ų77.88%0.07743%0.434CS..SBendtrans-134.7153.5178.563.9177.3000110.8I134 D137 L138 G141 E147 A148I134-I143 HydrophobicContact CG2-CD1 4.05Å; D137-I143 HydrophobicContact CB-CD1 3.78Å; D137-I143 HydrophobicContact CB-CG1 3.88Å; L138-I143 HydrophobicContact CB-CG1 4.26Å; G141-I143 VanDerWaalsContact C-N 3.33Å; I143-E147 HydrophobicContact CB-CB 4.41Å; I143-E147 HydrophobicContact CB-CG 4.45Å; I143-A148 HydrophobicContact CD1-CB 3.95Å
144G91Very high90.7Very high43 Ų4378.6 Ų78.644%0.44343%0.429SS..  trans-84.5169.9174.100000113.7D146 E147 A148G144-D146 PolarHBondContact O-N 3.49Å; G144-E147 PolarHBondContact O-N 3.31Å; G144-A148 PolarHBondContact O-N 2.98Å
145E93.1Very high90.7Very high159 Ų15978.8 Ų78.874%0.74343%0.431SS*.Hα-helixtrans-61.8-41.7-179.1-167.7178.5178.900112.9E147 A148 K149E145-E147 VanDerWaalsContact C-N 3.33Å; E145-E147 PolarHBondContact O-N 2.94Å; E145-A148 PolarHBondContact O-N 3.38Å; E145-K149 WeakPolarHBondContact O-CB 3.35Å; E145-K149 PolarHBondContact O-N 3.45Å
146D92.9Very high90.5Very high140 Ų14079 Ų7975%0.74943%0.434SS*.Hα-helixtrans-63.4-40177.3-72.5-38.5000112G144 K149 K150G144-D146 PolarHBondContact O-N 3.49Å; D146-K149 PolarHBondContact O-N 3.42Å; D146-K150 PolarHBondContact O-N 2.77Å
147E92.2Very high90.6Very high85 Ų8580.9 Ų80.940%0.39743%0.434SS..Hα-helixtrans-69.8-43177.7-171.1175.6173.100111.2I143 G144 E145 K149 K150 R151I143-E147 HydrophobicContact CB-CB 4.41Å; I143-E147 HydrophobicContact CB-CG 4.45Å; G144-E147 PolarHBondContact O-N 3.31Å; E145-E147 VanDerWaalsContact C-N 3.33Å; E145-E147 PolarHBondContact O-N 2.94Å; E147-K149 VanDerWaalsContact C-N 3.31Å; E147-K149 PolarHBondContact O-N 2.85Å; E147-K150 PolarHBondContact O-N 2.94Å; E147-R151 WeakPolarHBondContact O-CG 3.46Å; E147-R151 PolarHBondContact O-N 3.39Å; E147-R151 IonicContact OE1-CZ 2.73Å; E147-R151 IonicContact OE1-NE 2.79Å; E147-R151 PolarHBondContact OE1-NE 3.03Å; E147-R151 IonicContact OE1-NH2 3.77Å; E147-R151 PolarHBondContact OE1-NH2 3.35Å
148A90.6Very high90.4Very high0 Ų080 Ų800%043%0.428CS..Hα-helixtrans-58.4-43.4174.100000111.5I134 L138 I143 G144 E145 K150 R151 R152I134-A148 HydrophobicContact CG2-CB 3.93Å; L138-A148 HydrophobicContact CB-CB 4.36Å; L138-A148 HydrophobicContact CD1-CB 4.21Å; L138-A148 HydrophobicContact CD2-CB 4.13Å; L138-A148 HydrophobicContact CG-CB 4.47Å; I143-A148 HydrophobicContact CD1-CB 3.95Å; G144-A148 PolarHBondContact O-N 2.98Å; E145-A148 PolarHBondContact O-N 3.38Å; A148-K150 PolarHBondContact O-N 3.19Å; A148-R151 PolarHBondContact O-N 2.9Å; A148-R152 WeakPolarHBondContact O-CB 3.49Å; A148-R152 WeakPolarHBondContact O-CG 3.37Å; A148-R152 PolarHBondContact O-N 2.67Å
149K93.5Very high90.4Very high152 Ų15278 Ų7866%0.66142%0.418SS*.Hα-helixtrans-61.7-42.3175.7-172.7177.7-179179.20112.2E145 D146 E147 S153E145-K149 WeakPolarHBondContact O-CB 3.35Å; E145-K149 PolarHBondContact O-N 3.45Å; D146-K149 PolarHBondContact O-N 3.42Å; E147-K149 VanDerWaalsContact C-N 3.31Å; E147-K149 PolarHBondContact O-N 2.85Å; K149-S153 PolarHBondContact O-N 3.15Å
150K93.2Very high90.7Very high135 Ų13576.2 Ų76.259%0.58741%0.409SS*.Hα-helixtrans-62.8-49.8176.2-173.2-177.2176.2-171.90111.5D146 E147 A148 R152 S153 E154D146-K150 PolarHBondContact O-N 2.77Å; E147-K150 PolarHBondContact O-N 2.94Å; A148-K150 PolarHBondContact O-N 3.19Å; K150-R152 PolarHBondContact O-N 3.46Å; K150-S153 WeakPolarHBondContact O-CB 3.45Å; K150-S153 PolarHBondContact O-N 2.92Å; K150-S153 VanDerWaalsContact O-N 3.14Å; K150-E154 VanDerWaalsContact CE-OE1 3.29Å; K150-E154 WeakPolarHBondContact CE-OE1 3.35Å; K150-E154 PolarHBondContact O-N 3.39Å
151R92.1Very high90.8Very high83 Ų8373.2 Ų73.231%0.31338%0.383SS..Hα-helixtrans-60.5-41.9178.1-69.2-175.2-174.7-167.13.6112.1I134 D137 E147 A148 S153 E154 V155I134-R151 HydrophobicContact CD1-CB 3.76Å; I134-R151 HydrophobicContact CG1-CB 4.12Å; I134-R151 HydrophobicContact CG2-CB 4.39Å; D137-R151 IonicContact OD2-NH1 3.57Å; E147-R151 WeakPolarHBondContact O-CG 3.46Å; E147-R151 PolarHBondContact O-N 3.39Å; E147-R151 IonicContact OE1-CZ 2.73Å; E147-R151 IonicContact OE1-NE 2.79Å; E147-R151 PolarHBondContact OE1-NE 3.03Å; E147-R151 IonicContact OE1-NH2 3.77Å; E147-R151 PolarHBondContact OE1-NH2 3.35Å; A148-R151 PolarHBondContact O-N 2.9Å; R151-S153 VanDerWaalsContact C-N 3.35Å; R151-S153 PolarHBondContact O-N 3.47Å; R151-E154 PolarHBondContact O-N 3.48Å; R151-V155 WeakPolarHBondContact O-CG2 3.42Å; R151-V155 PolarHBondContact O-N 2.84Å
152R92.6Very high91.1Very high93 Ų9370.8 Ų70.835%0.35135%0.354SS..Hα-helixtrans-60.7-43.3174.3-72.8-177.9-165.7140.71.5111.6I134 D135 A148 K150 E154 V155 T156I134-R152 HydrophobicContact CD1-CG 4.28Å; I134-R152 HydrophobicContact CG2-CG 4.2Å; D135-R152 IonicContact OD1-CZ 3.72Å; D135-R152 IonicContact OD1-NE 2.73Å; D135-R152 PolarHBondContact OD1-NE 3.29Å; D135-R152 IonicContact OD1-NH2 3.71Å; D135-R152 PolarHBondContact OD1-NH2 3.22Å; A148-R152 WeakPolarHBondContact O-CB 3.49Å; A148-R152 WeakPolarHBondContact O-CG 3.37Å; A148-R152 PolarHBondContact O-N 2.67Å; K150-R152 PolarHBondContact O-N 3.46Å; R152-E154 VanDerWaalsContact C-N 3.34Å; R152-E154 PolarHBondContact O-N 2.82Å; R152-V155 PolarHBondContact O-N 3.44Å; R152-T156 PolarHBondContact O-N 3.5Å; R152-T156 PolarHBondContact O-OG1 2.92Å; R152-T156 VanDerWaalsContact O-OG1 3.12Å
153S93.1Very high91.2Very high56 Ų5666.4 Ų66.439%0.39234%0.339SS..Hα-helixtrans-62.5-39.4175.6-175.80000112.4K149 K150 R151 T156 Q157K149-S153 PolarHBondContact O-N 3.15Å; K150-S153 WeakPolarHBondContact O-CB 3.45Å; K150-S153 PolarHBondContact O-N 2.92Å; K150-S153 VanDerWaalsContact O-N 3.14Å; R151-S153 VanDerWaalsContact C-N 3.35Å; R151-S153 PolarHBondContact O-N 3.47Å; S153-T156 PolarHBondContact O-N 2.96Å; S153-Q157 WeakPolarHBondContact O-CB 3.33Å; S153-Q157 VanDerWaalsContact O-CG 3.29Å; S153-Q157 WeakPolarHBondContact O-CG 3.46Å; S153-Q157 PolarHBondContact O-N 3.42Å; S153-Q157 PolarHBondContact OG-NE2 3.37Å
154E91.4Very high91.2Very high66 Ų6668.9 Ų68.931%0.30836%0.357SS..Hα-helixtrans-64.2-43.4176.7-72.2175.4-171.900110.9L36 K150 R151 R152 T156 Q157 E158L36-E154 HydrophobicContact CD1-CB 4.05Å; L36-E154 HydrophobicContact CD1-CG 4.36Å; K150-E154 VanDerWaalsContact CE-OE1 3.29Å; K150-E154 WeakPolarHBondContact CE-OE1 3.35Å; K150-E154 PolarHBondContact O-N 3.39Å; R151-E154 PolarHBondContact O-N 3.48Å; R152-E154 VanDerWaalsContact C-N 3.34Å; R152-E154 PolarHBondContact O-N 2.82Å; E154-T156 PolarHBondContact O-N 3.4Å; E154-Q157 PolarHBondContact O-N 2.93Å; E154-E158 WeakPolarHBondContact O-CB 3.43Å; E154-E158 PolarHBondContact O-N 2.93Å
155V90.8Very high91.1Very high16 Ų1667 Ų6710%0.09734%0.337CS..Hα-helixtrans-61.5-42.2175.3171.10000111.7M127 K130 Q131 I134 R151 R152 E158 A159M127-V155 HydrophobicContact CG-CG1 3.67Å; K130-V155 HydrophobicContact CB-CG1 4.38Å; K130-V155 HydrophobicContact CB-CG2 4.21Å; K130-V155 HydrophobicContact CD-CG2 4.18Å; Q131-V155 HydrophobicContact CG-CG1 4.4Å; I134-V155 HydrophobicContact CD1-CG2 4.02Å; R151-V155 WeakPolarHBondContact O-CG2 3.42Å; R151-V155 PolarHBondContact O-N 2.84Å; R152-V155 PolarHBondContact O-N 3.44Å; V155-E158 PolarHBondContact O-N 2.99Å; V155-A159 PolarHBondContact O-N 3.43Å
156T90.5Very high90.8Very high61 Ų6161 Ų6137%0.37431%0.31SS..Hα-helixtrans-64.5-45.1175.7-57.10000111.7R152 S153 E154 E158 A159 D160R152-T156 PolarHBondContact O-N 3.5Å; R152-T156 PolarHBondContact O-OG1 2.92Å; R152-T156 VanDerWaalsContact O-OG1 3.12Å; S153-T156 PolarHBondContact O-N 2.96Å; E154-T156 PolarHBondContact O-N 3.4Å; T156-E158 VanDerWaalsContact C-N 3.28Å; T156-E158 PolarHBondContact O-N 3.48Å; T156-A159 WeakPolarHBondContact O-CB 3.36Å; T156-A159 PolarHBondContact O-N 3.25Å; T156-D160 PolarHBondContact O-N 3.39Å
157Q90.8Very high90.6Very high96 Ų9655.8 Ų55.845%0.44929%0.289SS..Hα-helixtrans-63-36.3177.1-73174.71700112L36 S153 E154 A159 D160 F161L36-Q157 HydrophobicContact CD1-CB 4.46Å; L36-Q157 HydrophobicContact CD2-CB 3.81Å; S153-Q157 WeakPolarHBondContact O-CB 3.33Å; S153-Q157 VanDerWaalsContact O-CG 3.29Å; S153-Q157 WeakPolarHBondContact O-CG 3.46Å; S153-Q157 PolarHBondContact O-N 3.42Å; S153-Q157 PolarHBondContact OG-NE2 3.37Å; E154-Q157 PolarHBondContact O-N 2.93Å; Q157-A159 VanDerWaalsContact C-N 3.33Å; Q157-D160 PolarHBondContact O-N 3.26Å; Q157-F161 VanDerWaalsContact O-CB 3.24Å; Q157-F161 WeakPolarHBondContact O-CB 3.47Å; Q157-F161 PolarHBondContact O-N 3.32Å
158E89.1Confident90.3Very high30 Ų3052.1 Ų52.114%0.1427%0.274CS..Hα-helixtrans-62.6-45.1175.9-170.1-175.8-174.700109.7L36 V123 K130 E154 V155 T156 F161 Y162L36-E158 HydrophobicContact CD2-CB 4.29Å; V123-E158 HydrophobicContact CG1-CG 4.16Å; K130-E158 IonicContact NZ-OE1 2.7Å; K130-E158 PolarHBondContact NZ-OE1 2.91Å; K130-E158 IonicContact NZ-OE2 3.6Å; K130-E158 PolarHBondContact NZ-OE2 3.14Å; E154-E158 WeakPolarHBondContact O-CB 3.43Å; E154-E158 PolarHBondContact O-N 2.93Å; V155-E158 PolarHBondContact O-N 2.99Å; T156-E158 VanDerWaalsContact C-N 3.28Å; T156-E158 PolarHBondContact O-N 3.48Å; E158-F161 WeakPolarHBondContact O-CB 3.41Å; E158-F161 PolarHBondContact O-N 2.92Å; E158-Y162 HydrophobicContact CG-CD2 3.95Å; E158-Y162 HydrophobicContact CG-CE2 3.77Å; E158-Y162 VanDerWaalsContact O-CD2 3.22Å; E158-Y162 WeakPolarHBondContact O-CD2 3.49Å; E158-Y162 PolarHBondContact O-N 3.21Å
159A89.2Confident90Very high5 Ų552.7 Ų52.74%0.04128%0.278CS..Hα-helixtrans-64.1-45.8177.300000113.5L124 M127 V155 T156 Q157 F161 Y162 G163L124-A159 HydrophobicContact CD2-CB 4.03Å; M127-A159 HydrophobicContact CE-CB 3.11Å; M127-A159 HydrophobicContact SD-CB 4.47Å; V155-A159 PolarHBondContact O-N 3.43Å; T156-A159 WeakPolarHBondContact O-CB 3.36Å; T156-A159 PolarHBondContact O-N 3.25Å; Q157-A159 VanDerWaalsContact C-N 3.33Å; A159-F161 VanDerWaalsContact C-N 3.26Å; A159-F161 PolarHBondContact O-N 2.96Å; A159-Y162 PolarHBondContact O-N 2.82Å; A159-G163 PolarHBondContact O-N 3.12Å
160D89.9Confident89.6Confident104 Ų10451.2 Ų51.256%0.55627%0.271SS*.Hα-helixtrans-61-39176.4-73.3-21.6000111T156 Q157 S164T156-D160 PolarHBondContact O-N 3.39Å; Q157-D160 PolarHBondContact O-N 3.26Å; D160-S164 WeakPolarHBondContact O-CB 3.27Å; D160-S164 PolarHBondContact O-N 2.98Å; D160-S164 PolarHBondContact O-OG 3.01Å
161F90.9Very high89.2Confident8 Ų850.2 Ų50.24%0.03527%0.267CS..Hα-helixtrans-61-54.7175.8176-91.6000111.5F41 P42 Q157 E158 A159 S164 M165 I234F41-F161 HydrophobicContact CB-CE2 4.12Å; F41-F161 HydrophobicContact CB-CZ 4.49Å; F41-F161 HydrophobicContact CD1-CZ 4.38Å; P42-F161 HydrophobicContact CG-CD2 4.01Å; P42-F161 HydrophobicContact CG-CE2 3.94Å; Q157-F161 VanDerWaalsContact O-CB 3.24Å; Q157-F161 WeakPolarHBondContact O-CB 3.47Å; Q157-F161 PolarHBondContact O-N 3.32Å; E158-F161 WeakPolarHBondContact O-CB 3.41Å; E158-F161 PolarHBondContact O-N 2.92Å; A159-F161 VanDerWaalsContact C-N 3.26Å; A159-F161 PolarHBondContact O-N 2.96Å; F161-S164 PolarHBondContact O-N 3.45Å; F161-M165 VanDerWaalsContact O-CB 3.26Å; F161-M165 WeakPolarHBondContact O-CB 3.42Å; F161-M165 PolarHBondContact O-N 3.34Å; F161-I234 HydrophobicContact CE1-CG2 3.94Å; F161-I234 HydrophobicContact CZ-CG2 3.51Å
162Y89.5Confident88.8Confident14 Ų1446.8 Ų46.86%0.05526%0.255CS..Hα-helixtrans-68-36.6-178.4-80.1-80.1000112.5A120 V123 E158 A159 M165 D166 V235A120-Y162 WeakPolarHBondContact CB-O 3.48Å; V123-Y162 HydrophobicContact CB-CD2 4.06Å; V123-Y162 HydrophobicContact CB-CG 4.34Å; V123-Y162 HydrophobicContact CG1-CD2 3.85Å; V123-Y162 HydrophobicContact CG1-CE2 4.39Å; V123-Y162 HydrophobicContact CG1-CG 4.49Å; V123-Y162 HydrophobicContact CG2-CD1 4.47Å; V123-Y162 HydrophobicContact CG2-CD2 3.73Å; V123-Y162 HydrophobicContact CG2-CE1 4.47Å; V123-Y162 HydrophobicContact CG2-CE2 3.74Å; V123-Y162 HydrophobicContact CG2-CG 4.12Å; E158-Y162 HydrophobicContact CG-CD2 3.95Å; E158-Y162 HydrophobicContact CG-CE2 3.77Å; E158-Y162 VanDerWaalsContact O-CD2 3.22Å; E158-Y162 WeakPolarHBondContact O-CD2 3.49Å; E158-Y162 PolarHBondContact O-N 3.21Å; A159-Y162 PolarHBondContact O-N 2.82Å; Y162-M165 PolarHBondContact O-N 3.42Å; Y162-D166 PolarHBondContact O-N 2.88Å; Y162-V235 HydrophobicContact CE1-CG1 4.07Å
163G88.5Confident88.4Confident34 Ų3448.5 Ų48.535%0.35126%0.262SS..Hα-helixtrans-62.1-45.1173.100000112.3A159 M165 G167A159-G163 PolarHBondContact O-N 3.12Å; G163-M165 VanDerWaalsContact C-N 3.3Å; G163-M165 PolarHBondContact O-N 3.16Å; G163-G167 PolarHBondContact O-N 2.68Å
164S89.8Confident88.1Confident66 Ų6647.7 Ų47.746%0.46226%0.262SS..Hα-helixtrans-65.3-35.1174.8-60.70000112D160 F161 G167 A168D160-S164 WeakPolarHBondContact O-CB 3.27Å; D160-S164 PolarHBondContact O-N 2.98Å; D160-S164 PolarHBondContact O-OG 3.01Å; F161-S164 PolarHBondContact O-N 3.45Å; S164-G167 PolarHBondContact O-N 2.97Å; S164-A168 VanDerWaalsContact O-CB 3.3Å; S164-A168 WeakPolarHBondContact O-CB 3.5Å; S164-A168 PolarHBondContact O-N 3.38Å
165M89.3Confident87.9Confident3 Ų345 Ų452%0.01525%0.25CC..Hα-helixtrans-68.2-41.3179.7-170.658.9-162.800112.5F41 P42 L45 A116 F161 Y162 G163 G167 A168 S169 A231 V235F41-M165 HydrophobicContact CD1-CE 4.29Å; F41-M165 HydrophobicContact CD1-SD 3.79Å; F41-M165 HydrophobicContact CE1-CE 3.57Å; F41-M165 HydrophobicContact CE1-SD 3.7Å; P42-M165 HydrophobicContact CG-CB 4.33Å; P42-M165 HydrophobicContact CG-SD 4.36Å; L45-M165 HydrophobicContact CD1-CE 3.74Å; L45-M165 HydrophobicContact CD1-SD 4.27Å; A116-M165 HydrophobicContact CB-CG 4.36Å; F161-M165 VanDerWaalsContact O-CB 3.26Å; F161-M165 WeakPolarHBondContact O-CB 3.42Å; F161-M165 PolarHBondContact O-N 3.34Å; Y162-M165 PolarHBondContact O-N 3.42Å; G163-M165 VanDerWaalsContact C-N 3.3Å; G163-M165 PolarHBondContact O-N 3.16Å; M165-G167 VanDerWaalsContact C-N 3.33Å; M165-G167 PolarHBondContact O-N 2.88Å; M165-A168 PolarHBondContact O-N 2.83Å; M165-S169 WeakPolarHBondContact O-CB 3.29Å; M165-S169 PolarHBondContact O-N 2.71Å; M165-A231 HydrophobicContact CE-CB 3.41Å; M165-A231 VanDerWaalsContact CE-CB 3.41Å; M165-V235 HydrophobicContact CE-CG2 4.2Å; M165-V235 HydrophobicContact CG-CG2 3.85Å
166D88.1Confident87.7Confident35 Ų3544.9 Ų44.919%0.18725%0.25CC..Hα-helixtrans-58-47.2171.417546.3000110.6A120 Y162 S169 K170A120-D166 HydrophobicContact CB-CB 4.13Å; Y162-D166 PolarHBondContact O-N 2.88Å; D166-S169 PolarHBondContact O-N 3.46Å; D166-S169 PolarHBondContact O-OG 2.73Å; D166-K170 PolarHBondContact O-N 3.45Å; D166-K170 WeakPolarHBondContact OD1-CE 3.38Å; D166-K170 IonicContact OD1-NZ 2.9Å; D166-K170 IonicContact OD2-NZ 3.62Å; D166-K170 PolarHBondContact OD2-NZ 2.73Å
167G87.1Confident87.6Confident29 Ų2945.4 Ų45.430%0.29925%0.25SC..Hα-helixtrans-58.2-51.6175.900000113.1G163 S164 M165 S169 K170 F171G163-G167 PolarHBondContact O-N 2.68Å; S164-G167 PolarHBondContact O-N 2.97Å; M165-G167 VanDerWaalsContact C-N 3.33Å; M165-G167 PolarHBondContact O-N 2.88Å; G167-S169 VanDerWaalsContact C-N 3.31Å; G167-S169 PolarHBondContact O-N 3.27Å; G167-K170 WeakPolarHBondContact O-CB 3.34Å; G167-K170 PolarHBondContact O-N 3.36Å; G167-F171 WeakPolarHBondContact O-CD2 3.22Å
168A86.7Confident87.6Confident9 Ų942 Ų427%0.07424%0.238CC..Hα-helixtrans-60.9-38.618000000112.1P42 L45 S164 M165 K170 F171P42-A168 HydrophobicContact CB-CB 4.15Å; L45-A168 HydrophobicContact CD2-CB 3.82Å; L45-A168 WeakPolarHBondContact CD2-O 3.35Å; S164-A168 VanDerWaalsContact O-CB 3.3Å; S164-A168 WeakPolarHBondContact O-CB 3.5Å; S164-A168 PolarHBondContact O-N 3.38Å; M165-A168 PolarHBondContact O-N 2.83Å; A168-K170 PolarHBondContact O-N 2.89Å; A168-F171 WeakPolarHBondContact O-CB 3.4Å; A168-F171 PolarHBondContact O-N 3.38Å
169S83.5Confident87.5Confident12 Ų1241.7 Ų41.78%0.08424%0.243CC..Hα-helixtrans-61.2-30.6179.780.30000113.4M165 D166 G167 F171 V172 R173M165-S169 WeakPolarHBondContact O-CB 3.29Å; M165-S169 PolarHBondContact O-N 2.71Å; D166-S169 PolarHBondContact O-N 3.46Å; D166-S169 PolarHBondContact O-OG 2.73Å; G167-S169 VanDerWaalsContact C-N 3.31Å; G167-S169 PolarHBondContact O-N 3.27Å; S169-F171 VanDerWaalsContact C-N 3.28Å; S169-F171 PolarHBondContact O-N 2.87Å; S169-V172 PolarHBondContact O-N 2.93Å; S169-R173 PolarHBondContact O-N 3.01Å
170K86.4Confident87.5Confident121 Ų12144 Ų4453%0.52625%0.254SS..Hα-helixtrans-66-30.6176.4-67.1167-169.8157.10111.8D166 G167 A168 R173 G174D166-K170 PolarHBondContact O-N 3.45Å; D166-K170 WeakPolarHBondContact OD1-CE 3.38Å; D166-K170 IonicContact OD1-NZ 2.9Å; D166-K170 IonicContact OD2-NZ 3.62Å; D166-K170 PolarHBondContact OD2-NZ 2.73Å; G167-K170 WeakPolarHBondContact O-CB 3.34Å; G167-K170 PolarHBondContact O-N 3.36Å; A168-K170 PolarHBondContact O-N 2.89Å; K170-R173 PolarHBondContact O-N 2.79Å; K170-G174 PolarHBondContact O-N 3.04Å
171F84.6Confident87.5Confident114 Ų11444 Ų4450%0.525%0.254SS..Hα-helixtrans-68.6-39.9173.8-71.7-92.4000112L46 G167 A168 S169 R173 G174 D175L46-F171 HydrophobicContact CD1-CB 4.35Å; L46-F171 HydrophobicContact CD1-CD1 3.79Å; L46-F171 HydrophobicContact CD1-CD2 4Å; L46-F171 HydrophobicContact CD1-CE1 4.02Å; L46-F171 HydrophobicContact CD1-CE2 4.22Å; L46-F171 HydrophobicContact CD1-CG 3.78Å; L46-F171 HydrophobicContact CD1-CZ 4.23Å; G167-F171 WeakPolarHBondContact O-CD2 3.22Å; A168-F171 WeakPolarHBondContact O-CB 3.4Å; A168-F171 PolarHBondContact O-N 3.38Å; S169-F171 VanDerWaalsContact C-N 3.28Å; S169-F171 PolarHBondContact O-N 2.87Å; F171-R173 VanDerWaalsContact C-N 3.29Å; F171-R173 PolarHBondContact O-N 3.35Å; F171-G174 PolarHBondContact O-N 3.47Å; F171-G174 VanDerWaalsContact O-N 3.13Å; F171-D175 PolarHBondContact O-N 2.86Å
172V84.3Confident87.5Confident10 Ų1044.7 Ų44.76%0.06126%0.258CS..Hα-helixtrans-62.2-39.7176.2-171.90000110.8L45 T109 S169 D175 A176L45-V172 HydrophobicContact CD1-CG2 3.98Å; L45-V172 HydrophobicContact CD2-CG2 3.24Å; L45-V172 HydrophobicContact CG-CG2 3.8Å; T109-V172 HydrophobicContact CG2-CG1 4.1Å; S169-V172 PolarHBondContact O-N 2.93Å; V172-D175 PolarHBondContact O-N 2.89Å; V172-A176 PolarHBondContact O-N 2.97Å
173R82.7Confident87.4Confident130 Ų13045.4 Ų45.449%0.49126%0.262SS..Hα-helixtrans-63.3-42.1173.7-173.2178.3174-169.9-4.5112.2F105 T109 S169 K170 F171 D175 A176 I177F105-R173 HydrophobicContact CE2-CG 4.5Å; T109-R173 HydrophobicContact CG2-CB 4.05Å; T109-R173 HydrophobicContact CG2-CG 4.48Å; S169-R173 PolarHBondContact O-N 3.01Å; K170-R173 PolarHBondContact O-N 2.79Å; F171-R173 VanDerWaalsContact C-N 3.29Å; F171-R173 PolarHBondContact O-N 3.35Å; R173-D175 VanDerWaalsContact C-N 3.34Å; R173-A176 PolarHBondContact O-N 3.46Å; R173-I177 HydrophobicContact CG-CD1 4.5Å; R173-I177 WeakPolarHBondContact O-CG1 3.49Å; R173-I177 PolarHBondContact O-N 2.93Å
174G86.7Confident87.5Confident38 Ų3847.5 Ų47.539%0.39227%0.267SS..Hα-helixtrans-60.2-43.4174.100000112.5K170 F171 I177 A178K170-G174 PolarHBondContact O-N 3.04Å; F171-G174 PolarHBondContact O-N 3.47Å; F171-G174 VanDerWaalsContact O-N 3.13Å; G174-I177 PolarHBondContact O-N 3.31Å; G174-A178 WeakPolarHBondContact O-CB 3.32Å; G174-A178 PolarHBondContact O-N 3.4Å
175D88.8Confident87.6Confident11 Ų1148.8 Ų48.86%0.05927%0.268CS..Hα-helixtrans-61.6-43.9176.4170.965.7000112.7T49 R52 F171 V172 R173 I177 A178 G179T49-D175 HydrophobicContact CG2-CB 3.41Å; T49-D175 VanDerWaalsContact CG2-CB 3.41Å; R52-D175 WeakPolarHBondContact CD-OD2 3.12Å; R52-D175 IonicContact CZ-OD2 3.71Å; R52-D175 IonicContact NE-OD2 3.94Å; R52-D175 IonicContact NH1-OD2 3.31Å; R52-D175 PolarHBondContact NH1-OD2 2.96Å; F171-D175 PolarHBondContact O-N 2.86Å; V172-D175 PolarHBondContact O-N 2.89Å; R173-D175 VanDerWaalsContact C-N 3.34Å; D175-I177 VanDerWaalsContact C-N 3.33Å; D175-I177 PolarHBondContact O-N 2.92Å; D175-A178 PolarHBondContact O-N 3.41Å; D175-G179 PolarHBondContact O-N 3.07Å
176A86.2Confident87.6Confident12 Ų1248.7 Ų48.710%0.09927%0.268CS..Hα-helixtrans-61.2-40.7176.600000112.4F105 T109 V172 R173 G179 I180F105-A176 HydrophobicContact CD2-CB 3.9Å; T109-A176 HydrophobicContact CG2-CB 4.08Å; V172-A176 PolarHBondContact O-N 2.97Å; R173-A176 PolarHBondContact O-N 3.46Å; A176-G179 PolarHBondContact O-N 3.21Å; A176-I180 WeakPolarHBondContact O-CG1 3.45Å; A176-I180 PolarHBondContact O-N 3.08Å; A176-I180 VanDerWaalsContact O-N 3.16Å
177I88.6Confident87.6Confident72 Ų7249.4 Ų49.437%0.36927%0.274SS..Hα-helixtrans-65.9-44.8175.5-62.9168.4000110.3F105 R173 G174 D175 G179 I180 L181F105-I177 HydrophobicContact CD2-CG1 4.38Å; F105-I177 HydrophobicContact CE2-CD1 4.16Å; F105-I177 HydrophobicContact CE2-CG1 3.53Å; F105-I177 HydrophobicContact CZ-CD1 4.45Å; F105-I177 HydrophobicContact CZ-CG1 4.06Å; R173-I177 HydrophobicContact CG-CD1 4.5Å; R173-I177 WeakPolarHBondContact O-CG1 3.49Å; R173-I177 PolarHBondContact O-N 2.93Å; G174-I177 PolarHBondContact O-N 3.31Å; D175-I177 VanDerWaalsContact C-N 3.33Å; D175-I177 PolarHBondContact O-N 2.92Å; I177-G179 VanDerWaalsContact C-N 3.32Å; I177-G179 PolarHBondContact O-N 3.35Å; I177-I180 PolarHBondContact O-N 2.94Å; I177-L181 HydrophobicContact CG2-CD1 4.25Å; I177-L181 WeakPolarHBondContact O-CG 3.49Å; I177-L181 PolarHBondContact O-N 3.01Å
178A89.4Confident87.8Confident24 Ų2451.9 Ų51.920%0.19828%0.283CS..Hα-helixtrans-60-42.6177.300000111.5L53 G174 D175 I180 L181 I182L53-A178 HydrophobicContact CD1-CB 3.65Å; G174-A178 WeakPolarHBondContact O-CB 3.32Å; G174-A178 PolarHBondContact O-N 3.4Å; D175-A178 PolarHBondContact O-N 3.41Å; A178-I180 VanDerWaalsContact C-N 3.32Å; A178-I180 PolarHBondContact O-N 3.01Å; A178-L181 PolarHBondContact O-N 3.02Å; A178-I182 WeakPolarHBondContact O-CB 3.33Å; A178-I182 VanDerWaalsContact O-CG1 3.22Å; A178-I182 WeakPolarHBondContact O-CG1 3.31Å; A178-I182 PolarHBondContact O-N 3.42Å
179G88.2Confident88Confident25 Ų2552.4 Ų52.426%0.25829%0.288SS..Hα-helixtrans-59.7-39.2175.300000113.1D175 A176 I177 M183D175-G179 PolarHBondContact O-N 3.07Å; A176-G179 PolarHBondContact O-N 3.21Å; I177-G179 VanDerWaalsContact C-N 3.32Å; I177-G179 PolarHBondContact O-N 3.35Å; G179-M183 WeakPolarHBondContact O-CB 3.26Å; G179-M183 PolarHBondContact O-N 3.37Å
180I88.2Confident88.3Confident52 Ų5251.8 Ų51.827%0.26728%0.284SS..Hα-helixtrans-65-44.6175-66.2170000111.2V101 F105 A176 I177 A178 M183 V184V101-I180 HydrophobicContact CG1-CD1 3.79Å; V101-I180 HydrophobicContact CG1-CG1 3.56Å; F105-I180 HydrophobicContact CB-CD1 4.17Å; F105-I180 HydrophobicContact CD2-CD1 4.47Å; F105-I180 HydrophobicContact CG-CD1 4.16Å; A176-I180 WeakPolarHBondContact O-CG1 3.45Å; A176-I180 PolarHBondContact O-N 3.08Å; A176-I180 VanDerWaalsContact O-N 3.16Å; I177-I180 PolarHBondContact O-N 2.94Å; A178-I180 VanDerWaalsContact C-N 3.32Å; A178-I180 PolarHBondContact O-N 3.01Å; I180-M183 WeakPolarHBondContact O-CB 3.22Å; I180-M183 PolarHBondContact O-N 3.48Å; I180-V184 WeakPolarHBondContact O-CG2 3.36Å; I180-V184 PolarHBondContact O-N 3.45Å; I180-V184 VanDerWaalsContact O-N 3.13Å
181L91Very high88.4Confident104 Ų10448.7 Ų48.755%0.54527%0.273SS..Hα-helixtrans-65.2-44.5178.5-68.6173.6000111.8I177 A178 M183 V184 I185I177-L181 HydrophobicContact CG2-CD1 4.25Å; I177-L181 WeakPolarHBondContact O-CG 3.49Å; I177-L181 PolarHBondContact O-N 3.01Å; A178-L181 PolarHBondContact O-N 3.02Å; L181-M183 VanDerWaalsContact C-N 3.3Å; L181-M183 PolarHBondContact O-N 3.49Å; L181-V184 PolarHBondContact O-N 2.99Å; L181-I185 WeakPolarHBondContact O-CD1 3.35Å; L181-I185 VanDerWaalsContact O-CG1 3.24Å; L181-I185 WeakPolarHBondContact O-CG1 3.25Å; L181-I185 PolarHBondContact O-N 3.4Å
182I89.8Confident88.7Confident24 Ų2447.7 Ų47.712%0.12327%0.273CS..Hα-helixtrans-59-43.3177.3-72.6169.1000110.6L53 N56 T60 A178 V184 I185 N186L53-I182 HydrophobicContact CD1-CD1 4.33Å; N56-I182 HydrophobicContact CB-CD1 3.79Å; T60-I182 WeakPolarHBondContact OG1-CG2 3.43Å; A178-I182 WeakPolarHBondContact O-CB 3.33Å; A178-I182 VanDerWaalsContact O-CG1 3.22Å; A178-I182 WeakPolarHBondContact O-CG1 3.31Å; A178-I182 PolarHBondContact O-N 3.42Å; I182-V184 PolarHBondContact O-N 3.14Å; I182-I185 CarbonylContact O-C 3.39Å; I182-I185 PolarHBondContact O-N 2.9Å; I182-N186 WeakPolarHBondContact O-CB 3.48Å; I182-N186 VanDerWaalsContact O-CG 3.26Å; I182-N186 PolarHBondContact O-N 2.93Å
183M88.2Confident88.9Confident29 Ų2948.5 Ų48.514%0.14328%0.277CS..Hα-helixtrans-57.8-50174.3178-140-42.400112F97 V101 G179 I180 L181 I185 N186 V187 T213F97-M183 HydrophobicContact CD1-CE 4.43Å; F97-M183 HydrophobicContact CD1-SD 4.13Å; F97-M183 HydrophobicContact CE1-CE 3.57Å; F97-M183 HydrophobicContact CE1-CG 3.72Å; F97-M183 HydrophobicContact CE1-SD 3.51Å; F97-M183 VanDerWaalsContact CE1-SD 3.51Å; F97-M183 HydrophobicContact CZ-CE 4.19Å; F97-M183 HydrophobicContact CZ-CG 4.45Å; V101-M183 HydrophobicContact CB-CE 4.37Å; V101-M183 HydrophobicContact CG1-CE 4.01Å; V101-M183 HydrophobicContact CG2-CE 3.54Å; G179-M183 WeakPolarHBondContact O-CB 3.26Å; G179-M183 PolarHBondContact O-N 3.37Å; I180-M183 WeakPolarHBondContact O-CB 3.22Å; I180-M183 PolarHBondContact O-N 3.48Å; L181-M183 VanDerWaalsContact C-N 3.3Å; L181-M183 PolarHBondContact O-N 3.49Å; M183-I185 VanDerWaalsContact C-N 3.26Å; M183-I185 PolarHBondContact O-N 3.31Å; M183-N186 PolarHBondContact O-N 3.27Å; M183-N186 VanDerWaalsContact O-N 3.13Å; M183-V187 WeakPolarHBondContact O-CG2 3.34Å; M183-V187 PolarHBondContact O-N 3.01Å; M183-T213 HydrophobicContact CB-CG2 4.25Å; M183-T213 HydrophobicContact CG-CG2 3.73Å
184V90.4Very high89.2Confident77 Ų7742.3 Ų42.347%0.46725%0.254SS..Hα-helixtrans-60.3-40.7178.7173.20000110.7I180 L181 I182 V188I180-V184 WeakPolarHBondContact O-CG2 3.36Å; I180-V184 PolarHBondContact O-N 3.45Å; I180-V184 VanDerWaalsContact O-N 3.13Å; L181-V184 PolarHBondContact O-N 2.99Å; I182-V184 PolarHBondContact O-N 3.14Å; V184-V188 HydrophobicContact CG1-CG2 4.25Å; V184-V188 WeakPolarHBondContact O-CB 3.16Å; V184-V188 WeakPolarHBondContact O-CG2 3.45Å; V184-V188 PolarHBondContact O-N 3.4Å
185I91.3Very high89.4Confident94 Ų9443 Ų4348%0.48225%0.251SS..Hα-helixtrans-63.5-41.1175.9-67.9164.1000111L181 I182 M183 G189L181-I185 WeakPolarHBondContact O-CD1 3.35Å; L181-I185 VanDerWaalsContact O-CG1 3.24Å; L181-I185 WeakPolarHBondContact O-CG1 3.25Å; L181-I185 PolarHBondContact O-N 3.4Å; I182-I185 CarbonylContact O-C 3.39Å; I182-I185 PolarHBondContact O-N 2.9Å; M183-I185 VanDerWaalsContact C-N 3.26Å; M183-I185 PolarHBondContact O-N 3.31Å; I185-G189 WeakPolarHBondContact O-CA 3.44Å; I185-G189 PolarHBondContact O-N 3.06Å
186N89.4Confident89.5Confident0 Ų049 Ų490%028%0.282CS..Hα-helixtrans-70.8-40-179.6-71.9-10.1000112.2T60 I182 M183 G190 T213T60-N186 WeakPolarHBondContact CG2-OD1 3.43Å; T60-N186 PolarHBondContact OG1-ND2 2.84Å; T60-N186 PolarHBondContact OG1-OD1 2.78Å; I182-N186 WeakPolarHBondContact O-CB 3.48Å; I182-N186 VanDerWaalsContact O-CG 3.26Å; I182-N186 PolarHBondContact O-N 2.93Å; M183-N186 PolarHBondContact O-N 3.27Å; M183-N186 VanDerWaalsContact O-N 3.13Å; N186-G190 WeakPolarHBondContact O-CA 3.42Å; N186-G190 PolarHBondContact O-N 3.28Å; N186-T213 HydrophobicContact CB-CG2 3.65Å; N186-T213 VanDerWaalsContact CB-OG1 3.26Å; N186-T213 WeakPolarHBondContact CB-OG1 3.24Å
187V88.7Confident89.6Confident51 Ų5155.2 Ų55.231%0.30931%0.309SS..Hα-helixtrans-66.8-53.3175.2177.10000110.9M183 L191 T213M183-V187 WeakPolarHBondContact O-CG2 3.34Å; M183-V187 PolarHBondContact O-N 3.01Å; V187-L191 WeakPolarHBondContact O-CB 3.37Å; V187-L191 PolarHBondContact O-N 2.95Å; V187-T213 HydrophobicContact CG2-CG2 3.74Å
188V91Very high89.5Confident81 Ų8155.1 Ų55.149%0.49131%0.307SS..Hα-helixtrans-72.8-49.5-175.1177.10000111.1V184 G190 L191 L192V184-V188 HydrophobicContact CG1-CG2 4.25Å; V184-V188 WeakPolarHBondContact O-CB 3.16Å; V184-V188 WeakPolarHBondContact O-CG2 3.45Å; V184-V188 PolarHBondContact O-N 3.4Å; V188-G190 VanDerWaalsContact C-N 3.35Å; V188-L191 PolarHBondContact O-N 3.38Å; V188-L192 HydrophobicContact CG1-CD1 4.23Å; V188-L192 WeakPolarHBondContact O-CG 3.37Å; V188-L192 PolarHBondContact O-N 3.11Å
189G91Very high89.3Confident19 Ų1957.2 Ų57.220%0.19633%0.33CS..Hα-helixtrans-64.1-39.9177.900000111.9I185 L192 V193I185-G189 WeakPolarHBondContact O-CA 3.44Å; I185-G189 PolarHBondContact O-N 3.06Å; G189-L192 PolarHBondContact O-N 3.49Å; G189-V193 WeakPolarHBondContact O-CB 3.28Å; G189-V193 VanDerWaalsContact O-CG2 3.26Å; G189-V193 WeakPolarHBondContact O-CG2 3.22Å; G189-V193 PolarHBondContact O-N 3.05Å
190G88.8Confident89.2Confident0 Ų057.9 Ų57.90%033%0.327CS..Hα-helixtrans-62.5-44.7174.700000112.6N186 V188 L192 V193 G194 Y209N186-G190 WeakPolarHBondContact O-CA 3.42Å; N186-G190 PolarHBondContact O-N 3.28Å; V188-G190 VanDerWaalsContact C-N 3.35Å; G190-L192 PolarHBondContact O-N 3.35Å; G190-V193 PolarHBondContact O-N 3.1Å; G190-G194 PolarHBondContact O-N 2.96Å; G190-Y209 WeakPolarHBondContact O-CD2 3.21Å; G190-Y209 WeakPolarHBondContact O-CE2 3.31Å
191L89.6Confident89.2Confident55 Ų5558.7 Ų58.729%0.28834%0.338SS..Hα-helixtrans-61.6-44.1175.2-17269.9000111.8V187 V188 V195 M202 A205 A206V187-L191 WeakPolarHBondContact O-CB 3.37Å; V187-L191 PolarHBondContact O-N 2.95Å; V188-L191 PolarHBondContact O-N 3.38Å; L191-V195 HydrophobicContact CD1-CG2 4.37Å; L191-V195 WeakPolarHBondContact O-CB 3.45Å; L191-V195 WeakPolarHBondContact O-CG2 3.34Å; L191-V195 PolarHBondContact O-N 3.48Å; L191-M202 HydrophobicContact CD1-CG 4.35Å; L191-A205 HydrophobicContact CD1-CB 4.01Å; L191-A206 HydrophobicContact CD1-CB 4.14Å
192L90.7Very high89Confident94 Ų9460.2 Ų60.249%0.49234%0.344SS..Hα-helixtrans-63.5-47.1177.3-71.9173.9000111.8V188 G189 G190 L196V188-L192 HydrophobicContact CG1-CD1 4.23Å; V188-L192 WeakPolarHBondContact O-CG 3.37Å; V188-L192 PolarHBondContact O-N 3.11Å; G189-L192 PolarHBondContact O-N 3.49Å; G190-L192 PolarHBondContact O-N 3.35Å; L192-L196 HydrophobicContact CD2-CD1 4.11Å; L192-L196 WeakPolarHBondContact O-CB 3.44Å; L192-L196 WeakPolarHBondContact O-CG 3.2Å; L192-L196 PolarHBondContact O-N 3.13Å
193V89.3Confident88.8Confident26 Ų2661.4 Ų61.416%0.15836%0.362CS..Hα-helixtrans-67.7-40.7-180170.50000111.4L64 G189 G190 Q197 H198L64-V193 WeakPolarHBondContact O-CG1 3.45Å; G189-V193 WeakPolarHBondContact O-CB 3.28Å; G189-V193 VanDerWaalsContact O-CG2 3.26Å; G189-V193 WeakPolarHBondContact O-CG2 3.22Å; G189-V193 PolarHBondContact O-N 3.05Å; G190-V193 PolarHBondContact O-N 3.1Å; V193-Q197 HydrophobicContact CG1-CB 4.43Å; V193-Q197 WeakPolarHBondContact O-CA 3.47Å; V193-Q197 VanDerWaalsContact O-CB 3.31Å; V193-Q197 WeakPolarHBondContact O-CB 3.48Å; V193-Q197 PolarHBondContact O-N 3.06Å; V193-H198 VanDerWaalsContact CG1-CE1 3.48Å; V193-H198 WeakPolarHBondContact CG1-CE1 3.41Å; V193-H198 PolarHBondContact O-N 3.41Å; V193-H198 PolarHBondContact O-ND1 3.2Å
194G87.6Confident88.7Confident0 Ų065.7 Ų65.70%038%0.381CS..Hα-helixtrans-62.9-47.1177.800000112.5G190 H198 G199 M200G190-G194 PolarHBondContact O-N 2.96Å; G194-H198 CarbonylContact O-C 3.47Å; G194-H198 PolarHBondContact O-N 3.33Å; G194-G199 PolarHBondContact O-N 3.1Å; G194-M200 WeakPolarHBondContact O-CB 3.28Å; G194-M200 PolarHBondContact O-N 3.23Å
195V90.5Very high88.5Confident53 Ų5362 Ų6232%0.32136%0.359SS..Hα-helixtrans-77.8-48.6-177.9177.60000111.9L191 A205L191-V195 HydrophobicContact CD1-CG2 4.37Å; L191-V195 WeakPolarHBondContact O-CB 3.45Å; L191-V195 WeakPolarHBondContact O-CG2 3.34Å; L191-V195 PolarHBondContact O-N 3.48Å; V195-A205 HydrophobicContact CG2-CB 3.96Å
196L91.5Very high88.2Confident136 Ų13658.9 Ų58.971%0.71235%0.347SS*.Hα-helixtrans-82.8-36.7-171.3-60.4176.9000113.6L192L192-L196 HydrophobicContact CD2-CD1 4.11Å; L192-L196 WeakPolarHBondContact O-CB 3.44Å; L192-L196 WeakPolarHBondContact O-CG 3.2Å; L192-L196 PolarHBondContact O-N 3.13Å
197Q88Confident88Confident144 Ų14464.2 Ų64.267%0.67337%0.372SS*.THydrogen-bonded Turntrans-98.7-35.8-175.3-59.7-176.3-1.400112.8V193V193-Q197 HydrophobicContact CG1-CB 4.43Å; V193-Q197 WeakPolarHBondContact O-CA 3.47Å; V193-Q197 VanDerWaalsContact O-CB 3.31Å; V193-Q197 WeakPolarHBondContact O-CB 3.48Å; V193-Q197 PolarHBondContact O-N 3.06Å
198H85.9Confident87.9Confident70 Ų7062.5 Ų62.532%0.32436%0.363SS..THydrogen-bonded Turntrans-106.2-1.3-175-59.787.1000114H68 V193 G194 M200H68-H198 HydrophobicContact CB-CB 3.95Å; H68-H198 AromaticContact CD2-CD2 3.64Å; H68-H198 AromaticContact CE1-CD2 3.52Å; H68-H198 AromaticContact CE1-NE2 3.39Å; H68-H198 PolarHBondContact CE1-NE2 3.04Å; H68-H198 AromaticContact CG-CD2 3.3Å; H68-H198 AromaticContact CG-CG 3.77Å; H68-H198 AromaticContact CG-NE2 3.77Å; H68-H198 AromaticContact ND1-CD2 3.23Å; H68-H198 PolarHBondContact ND1-CD2 3.47Å; H68-H198 AromaticContact ND1-CE1 3.82Å; H68-H198 AromaticContact ND1-CG 3.93Å; H68-H198 AromaticContact ND1-NE2 3.16Å; H68-H198 PolarHBondContact ND1-NE2 3.39Å; H68-H198 VanDerWaalsContact ND1-NE2 3.16Å; H68-H198 AromaticContact NE2-CD2 3.77Å; V193-H198 VanDerWaalsContact CG1-CE1 3.48Å; V193-H198 WeakPolarHBondContact CG1-CE1 3.41Å; V193-H198 PolarHBondContact O-N 3.41Å; V193-H198 PolarHBondContact O-ND1 3.2Å; G194-H198 CarbonylContact O-C 3.47Å; G194-H198 PolarHBondContact O-N 3.33Å; H198-M200 HydrophobicContact CB-CG 4.24Å; H198-M200 PolarHBondContact O-N 2.96Å
199G85.2Confident87.8Confident67 Ų6758.7 Ų58.769%0.69134%0.339SS*.  trans65.422.2175.800000114.7G194G194-G199 PolarHBondContact O-N 3.1Å
200M86.4Confident87.7Confident39 Ų3958.4 Ų58.419%0.19233%0.333CS..  trans-70.7148.1177.5-61.4179.375.500110.9H68 G194 H198 H204 A205 Y209H68-M200 HydrophobicContact CB-SD 3.68Å; G194-M200 WeakPolarHBondContact O-CB 3.28Å; G194-M200 PolarHBondContact O-N 3.23Å; H198-M200 HydrophobicContact CB-CG 4.24Å; H198-M200 PolarHBondContact O-N 2.96Å; M200-H204 HydrophobicContact CE-CB 4.29Å; M200-A205 HydrophobicContact CB-CB 4Å; M200-Y209 HydrophobicContact SD-CE2 4.12Å
201S89.7Confident87.7Confident69 Ų6959.1 Ų59.148%0.48334%0.337SS..  trans-64.1146.9169.274.20000110.2G203 H204 A205S201-G203 PolarHBondContact O-N 3.37Å; S201-G203 VanDerWaalsContact O-N 3.16Å; S201-H204 PolarHBondContact O-N 3.27Å; S201-H204 VanDerWaalsContact O-N 3.15Å; S201-H204 WeakPolarHBondContact OG-CB 3.38Å; S201-H204 PolarHBondContact OG-N 3.36Å; S201-A205 WeakPolarHBondContact O-CB 3.23Å; S201-A205 PolarHBondContact O-N 2.9Å
202M85.7Confident87.7Confident136 Ų13656.6 Ų56.667%0.6732%0.324SS*.Hα-helixtrans-54.9-37.8-177.8-172.9-177.9-113.900112.3L191 A206L191-M202 HydrophobicContact CD1-CG 4.35Å; M202-A206 WeakPolarHBondContact O-CB 3.49Å; M202-A206 PolarHBondContact O-N 2.97Å
203G85.8Confident87.7Confident49 Ų4952.2 Ų52.251%0.50530%0.301SS..Hα-helixtrans-66.7-48.6176.900000113.4S201 A206 E207S201-G203 PolarHBondContact O-N 3.37Å; S201-G203 VanDerWaalsContact O-N 3.16Å; G203-A206 PolarHBondContact O-N 3.1Å; G203-E207 WeakPolarHBondContact O-CB 3.28Å; G203-E207 PolarHBondContact O-N 2.98Å
204H85.6Confident87.8Confident120 Ų12051.1 Ų51.156%0.55630%0.295SS*.Hα-helixtrans-67.2-38.1177.9-84.338.5000112.5M200 S201 E207 S208M200-H204 HydrophobicContact CE-CB 4.29Å; S201-H204 PolarHBondContact O-N 3.27Å; S201-H204 VanDerWaalsContact O-N 3.15Å; S201-H204 WeakPolarHBondContact OG-CB 3.38Å; S201-H204 PolarHBondContact OG-N 3.36Å; H204-E207 PolarHBondContact O-N 3.38Å; H204-S208 WeakPolarHBondContact O-CB 3.24Å; H204-S208 PolarHBondContact O-N 3.42Å
205A86.4Confident87.9Confident0 Ų051.1 Ų51.10%030%0.295CS..Hα-helixtrans-62.8-47.2175.100000110.7L191 V195 M200 S201 E207 Y209L191-A205 HydrophobicContact CD1-CB 4.01Å; V195-A205 HydrophobicContact CG2-CB 3.96Å; M200-A205 HydrophobicContact CB-CB 4Å; S201-A205 WeakPolarHBondContact O-CB 3.23Å; S201-A205 PolarHBondContact O-N 2.9Å; A205-E207 PolarHBondContact O-N 3.47Å; A205-Y209 WeakPolarHBondContact O-CB 3.44Å; A205-Y209 WeakPolarHBondContact O-CD2 3.45Å; A205-Y209 PolarHBondContact O-N 3.13Å
206A86.2Confident88Confident28 Ų2848.8 Ų48.823%0.23128%0.28CS..Hα-helixtrans-59.2-45.8175.400000111.6L191 M202 G203 T210L191-A206 HydrophobicContact CD1-CB 4.14Å; M202-A206 WeakPolarHBondContact O-CB 3.49Å; M202-A206 PolarHBondContact O-N 2.97Å; G203-A206 PolarHBondContact O-N 3.1Å; A206-T210 WeakPolarHBondContact O-CB 3.37Å; A206-T210 PolarHBondContact O-N 3.48Å; A206-T210 PolarHBondContact O-OG1 3.01Å
207E85.2Confident88Confident111 Ų11142.9 Ų42.952%0.51925%0.252SS..Hα-helixtrans-61.4-54.1179-175.1175.3-171.900112.2G203 H204 A205 L211G203-E207 WeakPolarHBondContact O-CB 3.28Å; G203-E207 PolarHBondContact O-N 2.98Å; H204-E207 PolarHBondContact O-N 3.38Å; A205-E207 PolarHBondContact O-N 3.47Å; E207-L211 WeakPolarHBondContact O-CB 3.39Å; E207-L211 PolarHBondContact O-N 2.89Å
208S86.4Confident88Confident16 Ų1636.6 Ų36.611%0.11222%0.223CC..Hα-helixtrans-64-54.1-176-1670000112.1G67 H204 T210 L211 L212G67-S208 PolarHBondContact O-OG 3.48Å; H204-S208 WeakPolarHBondContact O-CB 3.24Å; H204-S208 PolarHBondContact O-N 3.42Å; S208-T210 PolarHBondContact O-N 3.45Å; S208-L211 PolarHBondContact O-N 3.39Å; S208-L212 WeakPolarHBondContact O-CB 3.36Å; S208-L212 WeakPolarHBondContact O-CG 3.37Å; S208-L212 PolarHBondContact O-N 3.41Å
209Y88.7Confident88.3Confident1 Ų133.3 Ų33.30%0.00421%0.208CC..Hα-helixtrans-70.8-33.7-175.6-77.2-87000112.3I63 H68 G190 M200 A205 T213I63-Y209 HydrophobicContact CG2-CD1 3.95Å; I63-Y209 HydrophobicContact CG2-CE1 4.4Å; I63-Y209 WeakPolarHBondContact O-CE1 3.22Å; H68-Y209 PolarHBondContact N-OH 3.01Å; G190-Y209 WeakPolarHBondContact O-CD2 3.21Å; G190-Y209 WeakPolarHBondContact O-CE2 3.31Å; M200-Y209 HydrophobicContact SD-CE2 4.12Å; A205-Y209 WeakPolarHBondContact O-CB 3.44Å; A205-Y209 WeakPolarHBondContact O-CD2 3.45Å; A205-Y209 PolarHBondContact O-N 3.13Å; Y209-T213 VanDerWaalsContact O-CB 3.25Å; Y209-T213 WeakPolarHBondContact O-CB 3.4Å; Y209-T213 PolarHBondContact O-N 3.34Å; Y209-T213 PolarHBondContact O-OG1 3.02Å
210T87.5Confident88.4Confident12 Ų1230.5 Ų30.57%0.07418%0.178CC..Hα-helixtrans-71.8-40.7176.1-53.30000111.2I94 A206 S208 T213 I214I94-T210 HydrophobicContact CD1-CG2 3.89Å; I94-T210 HydrophobicContact CG1-CG2 3.65Å; A206-T210 WeakPolarHBondContact O-CB 3.37Å; A206-T210 PolarHBondContact O-N 3.48Å; A206-T210 PolarHBondContact O-OG1 3.01Å; S208-T210 PolarHBondContact O-N 3.45Å; T210-T213 PolarHBondContact O-N 3.18Å; T210-I214 HydrophobicContact CG2-CD1 3.76Å; T210-I214 HydrophobicContact CG2-CG1 4.18Å; T210-I214 WeakPolarHBondContact O-CB 3.29Å; T210-I214 VanDerWaalsContact O-CG1 3.29Å; T210-I214 WeakPolarHBondContact O-CG1 3.25Å; T210-I214 PolarHBondContact O-N 3.08Å
211L89.2Confident88.6Confident16 Ų1630.1 Ų30.18%0.08418%0.176CC..Hα-helixtrans-60.7-47.7175.8-175113.6000111.1A71 V86 E207 S208 T213 I214 G215A71-L211 HydrophobicContact CB-CD2 3.46Å; A71-L211 VanDerWaalsContact CB-CD2 3.46Å; V86-L211 HydrophobicContact CB-CD1 4.32Å; V86-L211 HydrophobicContact CG1-CD1 4.41Å; V86-L211 HydrophobicContact CG2-CD1 4.18Å; E207-L211 WeakPolarHBondContact O-CB 3.39Å; E207-L211 PolarHBondContact O-N 2.89Å; S208-L211 PolarHBondContact O-N 3.39Å; L211-T213 VanDerWaalsContact C-N 3.33Å; L211-T213 PolarHBondContact O-N 3.16Å; L211-I214 PolarHBondContact O-N 3.06Å; L211-G215 PolarHBondContact O-N 3.27Å
212L90.7Very high88.6Confident1 Ų129.5 Ų29.51%0.00517%0.167CC..Hα-helixtrans-59.1-42.9174.6-74.7170.4000111.9I63 A71 A73 A74 V78 S208 G215 D216I63-L212 HydrophobicContact CD1-CB 4.43Å; I63-L212 HydrophobicContact CG1-CB 4.22Å; I63-L212 HydrophobicContact CG2-CB 4.03Å; I63-L212 HydrophobicContact CG2-CD1 4.3Å; A71-L212 WeakPolarHBondContact O-CD2 3.28Å; A73-L212 HydrophobicContact CB-CD1 4.34Å; A74-L212 HydrophobicContact CB-CD2 3.89Å; V78-L212 HydrophobicContact CG1-CD2 4.24Å; V78-L212 WeakPolarHBondContact CG1-O 3.49Å; S208-L212 WeakPolarHBondContact O-CB 3.36Å; S208-L212 WeakPolarHBondContact O-CG 3.37Å; S208-L212 PolarHBondContact O-N 3.41Å; L212-G215 PolarHBondContact O-N 2.85Å; L212-D216 VanDerWaalsContact O-CB 3.28Å; L212-D216 WeakPolarHBondContact O-CB 3.5Å; L212-D216 PolarHBondContact O-N 3.42Å
213T90.8Very high88.8Confident2 Ų223 Ų231%0.01214%0.135CC..Hα-helixtrans-68.3-41.1-179.7-57.20000112.5M183 N186 V187 Y209 T210 L211 G217M183-T213 HydrophobicContact CB-CG2 4.25Å; M183-T213 HydrophobicContact CG-CG2 3.73Å; N186-T213 HydrophobicContact CB-CG2 3.65Å; N186-T213 VanDerWaalsContact CB-OG1 3.26Å; N186-T213 WeakPolarHBondContact CB-OG1 3.24Å; V187-T213 HydrophobicContact CG2-CG2 3.74Å; Y209-T213 VanDerWaalsContact O-CB 3.25Å; Y209-T213 WeakPolarHBondContact O-CB 3.4Å; Y209-T213 PolarHBondContact O-N 3.34Å; Y209-T213 PolarHBondContact O-OG1 3.02Å; T210-T213 PolarHBondContact O-N 3.18Å; L211-T213 VanDerWaalsContact C-N 3.33Å; L211-T213 PolarHBondContact O-N 3.16Å; T213-G217 PolarHBondContact O-N 3.48Å
214I90.6Very high89Confident4 Ų420.9 Ų20.92%0.02111%0.112CC..Hα-helixtrans-64.3-44.8175.4-71.9172.4000109.7L85 V86 I94 F97 T210 L211 G217 L218L85-I214 HydrophobicContact CB-CG2 4.26Å; L85-I214 HydrophobicContact CD2-CG2 3.56Å; V86-I214 HydrophobicContact CG2-CD1 4.09Å; V86-I214 HydrophobicContact CG2-CG2 4.44Å; I94-I214 HydrophobicContact CG1-CD1 4.05Å; F97-I214 HydrophobicContact CB-CD1 4.5Å; F97-I214 HydrophobicContact CB-CG1 4.22Å; F97-I214 HydrophobicContact CB-CG2 4.3Å; F97-I214 HydrophobicContact CD1-CG1 4.1Å; F97-I214 HydrophobicContact CD2-CG2 4.02Å; F97-I214 HydrophobicContact CG-CB 4.5Å; F97-I214 HydrophobicContact CG-CG1 4.06Å; F97-I214 HydrophobicContact CG-CG2 4.18Å; T210-I214 HydrophobicContact CG2-CD1 3.76Å; T210-I214 HydrophobicContact CG2-CG1 4.18Å; T210-I214 WeakPolarHBondContact O-CB 3.29Å; T210-I214 VanDerWaalsContact O-CG1 3.29Å; T210-I214 WeakPolarHBondContact O-CG1 3.25Å; T210-I214 PolarHBondContact O-N 3.08Å; L211-I214 PolarHBondContact O-N 3.06Å; I214-G217 PolarHBondContact O-N 3.39Å; I214-L218 HydrophobicContact CG2-CD1 4.09Å; I214-L218 WeakPolarHBondContact O-CB 3.35Å; I214-L218 WeakPolarHBondContact O-CG 3.32Å; I214-L218 PolarHBondContact O-N 2.79Å
215G91Very high89.2Confident0 Ų018.4 Ų18.40%010%0.103CC..Hα-helixtrans-58.6-51.7176.500000112.1V78 L211 L212 G217 L218 V219V78-G215 WeakPolarHBondContact O-CA 3.26Å; L211-G215 PolarHBondContact O-N 3.27Å; L212-G215 PolarHBondContact O-N 2.85Å; G215-G217 PolarHBondContact O-N 3.03Å; G215-L218 PolarHBondContact O-N 2.97Å; G215-V219 VanDerWaalsContact O-CG2 3.23Å; G215-V219 WeakPolarHBondContact O-CG2 3.2Å; G215-V219 PolarHBondContact O-N 2.93Å
216D91.4Very high89.5Confident4 Ų419.5 Ų19.52%0.02111%0.11CC..Hα-helixtrans-60-46.6178.818053.3000111.7F15 S59 I63 V78 L212 L218 V219 A220F15-D216 WeakPolarHBondContact CZ-OD1 3.39Å; S59-D216 WeakPolarHBondContact CB-OD1 3.41Å; S59-D216 PolarHBondContact OG-OD1 3.49Å; S59-D216 PolarHBondContact OG-OD2 2.86Å; I63-D216 HydrophobicContact CD1-CB 3.67Å; V78-D216 HydrophobicContact CG1-CB 4.27Å; L212-D216 VanDerWaalsContact O-CB 3.28Å; L212-D216 WeakPolarHBondContact O-CB 3.5Å; L212-D216 PolarHBondContact O-N 3.42Å; D216-L218 VanDerWaalsContact C-N 3.33Å; D216-L218 PolarHBondContact O-N 3.2Å; D216-V219 PolarHBondContact O-N 2.99Å; D216-A220 WeakPolarHBondContact O-CB 3.38Å; D216-A220 PolarHBondContact O-N 3.28Å
217G90.8Very high89.8Confident12 Ų1218.2 Ų18.212%0.12410%0.099CC..Hα-helixtrans-60.1-39.8177.200000113.3T213 I214 G215 Q221T213-G217 PolarHBondContact O-N 3.48Å; I214-G217 PolarHBondContact O-N 3.39Å; G215-G217 PolarHBondContact O-N 3.03Å; G217-Q221 VanDerWaalsContact O-CB 3.29Å; G217-Q221 WeakPolarHBondContact O-CB 3.16Å; G217-Q221 WeakPolarHBondContact O-CG 3.34Å; G217-Q221 PolarHBondContact O-N 2.72Å
218L89.2Confident89.9Confident11 Ų1113.2 Ų13.26%0.0588%0.076CC..Hα-helixtrans-68.9-44.1176.1-78.6171.9000112.7F81 L85 F97 L100 I214 G215 D216 A220 Q221 I222F81-L218 HydrophobicContact CB-CB 4.23Å; F81-L218 HydrophobicContact CB-CD1 4.43Å; F81-L218 HydrophobicContact CD1-CB 4.36Å; F81-L218 WeakPolarHBondContact O-CD1 3.47Å; L85-L218 HydrophobicContact CB-CD1 3.57Å; L85-L218 HydrophobicContact CD1-CD1 4.1Å; L85-L218 HydrophobicContact CD1-CD2 4.36Å; L85-L218 HydrophobicContact CD2-CD1 3.91Å; L85-L218 HydrophobicContact CD2-CG 4.49Å; L85-L218 HydrophobicContact CG-CD1 4.04Å; F97-L218 HydrophobicContact CD2-CD2 4.17Å; F97-L218 HydrophobicContact CD2-CG 4.01Å; F97-L218 HydrophobicContact CE2-CD2 4.3Å; F97-L218 HydrophobicContact CE2-CG 4Å; L100-L218 HydrophobicContact CD1-CD2 3.7Å; I214-L218 HydrophobicContact CG2-CD1 4.09Å; I214-L218 WeakPolarHBondContact O-CB 3.35Å; I214-L218 WeakPolarHBondContact O-CG 3.32Å; I214-L218 PolarHBondContact O-N 2.79Å; G215-L218 PolarHBondContact O-N 2.97Å; D216-L218 VanDerWaalsContact C-N 3.33Å; D216-L218 PolarHBondContact O-N 3.2Å; L218-A220 PolarHBondContact O-N 3.34Å; L218-Q221 PolarHBondContact O-N 2.99Å; L218-Q221 VanDerWaalsContact O-N 3.08Å; L218-I222 PolarHBondContact O-N 3.15Å
219V91.3Very high90Very high1 Ų115.4 Ų15.41%0.0069%0.089CC..Hα-helixtrans-60.4-34.7178175.40000110.8F15 V77 V78 F81 G215 D216 P223F15-V219 HydrophobicContact CB-CG1 3.64Å; F15-V219 HydrophobicContact CD1-CG1 3.29Å; F15-V219 HydrophobicContact CD2-CG1 3.79Å; F15-V219 HydrophobicContact CE1-CG1 3.73Å; F15-V219 HydrophobicContact CE2-CG1 4.12Å; F15-V219 HydrophobicContact CG-CG1 3.34Å; F15-V219 HydrophobicContact CZ-CG1 4.12Å; V77-V219 HydrophobicContact CG1-CG1 4.13Å; V77-V219 HydrophobicContact CG1-CG2 3.82Å; V78-V219 HydrophobicContact CG2-CG2 4.48Å; F81-V219 HydrophobicContact CB-CG2 3.85Å; F81-V219 HydrophobicContact CD2-CG2 3.3Å; F81-V219 HydrophobicContact CE2-CG2 4.02Å; F81-V219 HydrophobicContact CG-CG2 3.71Å; G215-V219 VanDerWaalsContact O-CG2 3.23Å; G215-V219 WeakPolarHBondContact O-CG2 3.2Å; G215-V219 PolarHBondContact O-N 2.93Å; D216-V219 PolarHBondContact O-N 2.99Å; V219-P223 WeakPolarHBondContact O-CD 3.33Å; V219-P223 WeakPolarHBondContact O-CG 3.33Å
220A88.6Confident90.1Very high8 Ų815.4 Ų15.47%0.0669%0.089CC..Hα-helixtrans-74.2-38.6172.900000113.2R52 N56 D216 L218 A224R52-A220 VanDerWaalsContact CD-O 3.25Å; R52-A220 WeakPolarHBondContact CD-O 3.48Å; R52-A220 HydrophobicContact CG-CB 4.27Å; R52-A220 PolarHBondContact NE-O 2.82Å; N56-A220 WeakPolarHBondContact OD1-CB 3.4Å; D216-A220 WeakPolarHBondContact O-CB 3.38Å; D216-A220 PolarHBondContact O-N 3.28Å; L218-A220 PolarHBondContact O-N 3.34Å; A220-A224 PolarHBondContact O-N 3.5Å
221Q89.8Confident90.1Very high31 Ų3115.1 Ų15.115%0.1459%0.088CC..Hα-helixtrans-74.4-35.9-174.7-80.5171.832.100114.2G217 L218 A224 L225G217-Q221 VanDerWaalsContact O-CB 3.29Å; G217-Q221 WeakPolarHBondContact O-CB 3.16Å; G217-Q221 WeakPolarHBondContact O-CG 3.34Å; G217-Q221 PolarHBondContact O-N 2.72Å; L218-Q221 PolarHBondContact O-N 2.99Å; L218-Q221 VanDerWaalsContact O-N 3.08Å; Q221-A224 WeakPolarHBondContact O-CA 3.45Å; Q221-A224 VanDerWaalsContact O-CB 3.32Å; Q221-A224 WeakPolarHBondContact O-CB 3.32Å; Q221-A224 PolarHBondContact O-N 3.14Å; Q221-L225 WeakPolarHBondContact O-CB 3.45Å; Q221-L225 PolarHBondContact O-N 3.49Å
222I89.8Confident90Very high56 Ų5615 Ų1529%0.2879%0.091SC..Hα-helixtrans-60.2-50.4-179.4-71.3168.4000111.2F81 L218 A224 L225 V226F81-I222 HydrophobicContact CD1-CD1 3.84Å; F81-I222 HydrophobicContact CE1-CD1 3.14Å; F81-I222 HydrophobicContact CZ-CD1 3.78Å; L218-I222 PolarHBondContact O-N 3.15Å; I222-A224 PolarHBondContact O-N 3.48Å; I222-L225 WeakPolarHBondContact O-CB 3.28Å; I222-L225 PolarHBondContact O-N 3.48Å; I222-V226 HydrophobicContact CG2-CG2 4.47Å; I222-V226 VanDerWaalsContact O-CG2 3.26Å; I222-V226 WeakPolarHBondContact O-CG2 3.45Å; I222-V226 PolarHBondContact O-N 2.99Å
223P91.1Very high89.8Confident0 Ų016.3 Ų16.30%010%0.099CC..Hα-helixtrans-57.9-36.2171.5-25.334.2000113.1I19 R52 V219 V226 I227I19-P223 HydrophobicContact CG1-CG 3.76Å; R52-P223 VanDerWaalsContact NH2-C 3.31Å; R52-P223 PolarHBondContact NH2-O 2.81Å; V219-P223 WeakPolarHBondContact O-CD 3.33Å; V219-P223 WeakPolarHBondContact O-CG 3.33Å; P223-V226 PolarHBondContact O-N 3.42Å; P223-I227 WeakPolarHBondContact O-CB 3.38Å; P223-I227 VanDerWaalsContact O-CG1 3.22Å; P223-I227 WeakPolarHBondContact O-CG1 3.37Å; P223-I227 PolarHBondContact O-N 3.46Å
224A89.3Confident89.7Confident4 Ų416.2 Ų16.23%0.03310%0.098CC..Hα-helixtrans-64.4-45.817900000112.4R52 A220 Q221 I222 S228R52-A224 VanDerWaalsContact CZ-CB 3.41Å; R52-A224 VanDerWaalsContact NH2-CA 3.26Å; A220-A224 PolarHBondContact O-N 3.5Å; Q221-A224 WeakPolarHBondContact O-CA 3.45Å; Q221-A224 VanDerWaalsContact O-CB 3.32Å; Q221-A224 WeakPolarHBondContact O-CB 3.32Å; Q221-A224 PolarHBondContact O-N 3.14Å; I222-A224 PolarHBondContact O-N 3.48Å; A224-S228 VanDerWaalsContact O-CB 3.23Å; A224-S228 WeakPolarHBondContact O-CB 3.41Å; A224-S228 PolarHBondContact O-N 3.01Å; A224-S228 PolarHBondContact O-OG 2.98Å
225L89.9Confident89.3Confident69 Ų6916.7 Ų16.736%0.36110%0.101SC..Hα-helixtrans-59.8-49.6175.6172.561.7000110.9I108 Q221 I222 S228 T229I108-L225 HydrophobicContact CD1-CD1 3.13Å; I108-L225 HydrophobicContact CG1-CD1 4.38Å; I108-L225 HydrophobicContact CG2-CD1 4.11Å; Q221-L225 WeakPolarHBondContact O-CB 3.45Å; Q221-L225 PolarHBondContact O-N 3.49Å; I222-L225 WeakPolarHBondContact O-CB 3.28Å; I222-L225 PolarHBondContact O-N 3.48Å; L225-S228 PolarHBondContact O-N 3.26Å; L225-T229 WeakPolarHBondContact O-CB 3.18Å; L225-T229 PolarHBondContact O-N 2.87Å; L225-T229 PolarHBondContact O-OG1 2.91Å
226V92.7Very high88.8Confident23 Ų2320.9 Ų20.914%0.13913%0.127CC..Hα-helixtrans-63.8-47.1-1781730000111S22 L26 I222 P223 T229 A230S22-V226 VanDerWaalsContact C-CG1 3.42Å; S22-V226 WeakPolarHBondContact O-CG1 3.49Å; L26-V226 HydrophobicContact CB-CG1 3.68Å; L26-V226 HydrophobicContact CD2-CG1 3.92Å; L26-V226 HydrophobicContact CG-CG1 4.38Å; I222-V226 HydrophobicContact CG2-CG2 4.47Å; I222-V226 VanDerWaalsContact O-CG2 3.26Å; I222-V226 WeakPolarHBondContact O-CG2 3.45Å; I222-V226 PolarHBondContact O-N 2.99Å; P223-V226 PolarHBondContact O-N 3.42Å; V226-T229 PolarHBondContact O-N 3.36Å; V226-A230 WeakPolarHBondContact O-CB 3.38Å; V226-A230 PolarHBondContact O-N 3.4Å
227I91.4Very high88.3Confident1 Ų121.6 Ų21.61%0.00513%0.129CC..Hα-helixtrans-65.4-40.8176.6-67.1-67.3000111.8V25 L45 T48 P223 T229 A230 A231V25-I227 HydrophobicContact CB-CD1 3.65Å; V25-I227 HydrophobicContact CG1-CD1 3.54Å; V25-I227 HydrophobicContact CG2-CD1 4.07Å; L45-I227 HydrophobicContact CD1-CG2 4.43Å; L45-I227 HydrophobicContact CG-CG2 4.21Å; T48-I227 HydrophobicContact CG2-CD1 4.47Å; P223-I227 WeakPolarHBondContact O-CB 3.38Å; P223-I227 VanDerWaalsContact O-CG1 3.22Å; P223-I227 WeakPolarHBondContact O-CG1 3.37Å; P223-I227 PolarHBondContact O-N 3.46Å; I227-T229 VanDerWaalsContact C-N 3.3Å; I227-T229 PolarHBondContact O-N 2.75Å; I227-A230 WeakPolarHBondContact O-CB 3.46Å; I227-A230 PolarHBondContact O-N 3.39Å; I227-A231 WeakPolarHBondContact O-CB 3.3Å; I227-A231 PolarHBondContact O-N 3.24Å
228S87.9Confident87.2Confident6 Ų625.6 Ų25.64%0.04215%0.151CC..Hα-helixtrans-66.6-34.6178.1-58.50000111.9A224 L225 A231 G232A224-S228 VanDerWaalsContact O-CB 3.23Å; A224-S228 WeakPolarHBondContact O-CB 3.41Å; A224-S228 PolarHBondContact O-N 3.01Å; A224-S228 PolarHBondContact O-OG 2.98Å; L225-S228 PolarHBondContact O-N 3.26Å; S228-A231 WeakPolarHBondContact O-CB 3.49Å; S228-A231 PolarHBondContact O-N 3.49Å; S228-G232 PolarHBondContact O-N 3.19Å
229T88.9Confident86.3Confident62 Ų6229 Ų2938%0.3818%0.176SC..Hα-helixtrans-67.9-44.4173.4-53.90000110.5L26 L225 V226 I227 A231 G232 V233L26-T229 HydrophobicContact CD1-CG2 4.31Å; L225-T229 WeakPolarHBondContact O-CB 3.18Å; L225-T229 PolarHBondContact O-N 2.87Å; L225-T229 PolarHBondContact O-OG1 2.91Å; V226-T229 PolarHBondContact O-N 3.36Å; I227-T229 VanDerWaalsContact C-N 3.3Å; I227-T229 PolarHBondContact O-N 2.75Å; T229-A231 VanDerWaalsContact C-N 3.29Å; T229-A231 PolarHBondContact O-N 3.47Å; T229-G232 PolarHBondContact O-N 3.28Å; T229-G232 VanDerWaalsContact O-N 3.13Å; T229-V233 WeakPolarHBondContact O-CG2 3.25Å; T229-V233 PolarHBondContact O-N 3.23Å
230A90.2Very high85.1Confident0 Ų031.3 Ų31.30%019%0.19CC..Hα-helixtrans-58.3-41.9174.600000111.8V25 L26 A29 F41 V226 I227 V233 I234V25-A230 HydrophobicContact CG1-CB 4.23Å; L26-A230 HydrophobicContact CB-CB 4.23Å; L26-A230 HydrophobicContact CD1-CB 3.89Å; A29-A230 HydrophobicContact CB-CB 3.93Å; F41-A230 HydrophobicContact CE2-CB 4.25Å; F41-A230 HydrophobicContact CZ-CB 4.34Å; V226-A230 WeakPolarHBondContact O-CB 3.38Å; V226-A230 PolarHBondContact O-N 3.4Å; I227-A230 WeakPolarHBondContact O-CB 3.46Å; I227-A230 PolarHBondContact O-N 3.39Å; A230-V233 PolarHBondContact O-N 2.76Å; A230-I234 PolarHBondContact O-N 2.95Å
231A88.3Confident84.2Confident6 Ų637.4 Ų37.45%0.0522%0.222CC..Hα-helixtrans-61.1-45.217400000112.1F41 L45 M165 I227 S228 T229 I234 V235F41-A231 HydrophobicContact CE1-CB 3.94Å; F41-A231 VanDerWaalsContact CZ-CA 3.47Å; F41-A231 HydrophobicContact CZ-CB 3.83Å; L45-A231 HydrophobicContact CD1-CB 4.24Å; M165-A231 HydrophobicContact CE-CB 3.41Å; M165-A231 VanDerWaalsContact CE-CB 3.41Å; I227-A231 WeakPolarHBondContact O-CB 3.3Å; I227-A231 PolarHBondContact O-N 3.24Å; S228-A231 WeakPolarHBondContact O-CB 3.49Å; S228-A231 PolarHBondContact O-N 3.49Å; T229-A231 VanDerWaalsContact C-N 3.29Å; T229-A231 PolarHBondContact O-N 3.47Å; A231-I234 PolarHBondContact O-N 3.38Å; A231-V235 VanDerWaalsContact O-CG2 3.28Å; A231-V235 WeakPolarHBondContact O-CG2 3.24Å; A231-V235 PolarHBondContact O-N 2.84Å; A231-V235 VanDerWaalsContact O-N 3.1Å
232G86.2Confident83.4Confident15 Ų1539.9 Ų39.916%0.15523%0.233CC..Hα-helixtrans-56.8-52.4173.500000112S228 T229 I234 V235 T236S228-G232 PolarHBondContact O-N 3.19Å; T229-G232 PolarHBondContact O-N 3.28Å; T229-G232 VanDerWaalsContact O-N 3.13Å; G232-I234 VanDerWaalsContact C-N 3.34Å; G232-I234 PolarHBondContact O-N 2.96Å; G232-V235 PolarHBondContact O-N 3.36Å; G232-T236 WeakPolarHBondContact O-CG2 3.32Å; G232-T236 PolarHBondContact O-N 3.01Å; G232-T236 PolarHBondContact O-OG1 3.08Å
233V86.9Confident83Confident28 Ų2838.1 Ų38.117%0.1722%0.224CC..Hα-helixtrans-57.2-44.6-179.3171.20000111.9T229 A230 R237 V244T229-V233 WeakPolarHBondContact O-CG2 3.25Å; T229-V233 PolarHBondContact O-N 3.23Å; A230-V233 PolarHBondContact O-N 2.76Å; V233-R237 PolarHBondContact O-N 3.48Å; V233-V244 HydrophobicContact CG1-CG1 4.45Å; V233-V244 HydrophobicContact CG1-CG2 4.31Å
234I87.9Confident82.3Confident0 Ų039 Ų390%023%0.23CC..Hα-helixtrans-68.1-39.8-179.2-77.4-69.4000112.3A29 F38 F41 F161 A230 A231 G232 R237A29-I234 HydrophobicContact CB-CD1 4.09Å; A29-I234 HydrophobicContact CB-CG1 3.63Å; F38-I234 HydrophobicContact CD1-CD1 4.42Å; F41-I234 HydrophobicContact CD1-CG2 4.23Å; F161-I234 HydrophobicContact CE1-CG2 3.94Å; F161-I234 HydrophobicContact CZ-CG2 3.51Å; A230-I234 PolarHBondContact O-N 2.95Å; A231-I234 PolarHBondContact O-N 3.38Å; G232-I234 VanDerWaalsContact C-N 3.34Å; G232-I234 PolarHBondContact O-N 2.96Å; I234-R237 WeakPolarHBondContact O-CB 3.44Å
235V83.5Confident81.7Confident14 Ų1440 Ų409%0.08524%0.241CC..Hα-helixtrans-77.8-29.3-177.9177.70000112.3I115 Y162 M165 A231 G232 R237I115-V235 HydrophobicContact CG2-CB 4.17Å; I115-V235 HydrophobicContact CG2-CG1 3.67Å; Y162-V235 HydrophobicContact CE1-CG1 4.07Å; M165-V235 HydrophobicContact CE-CG2 4.2Å; M165-V235 HydrophobicContact CG-CG2 3.85Å; A231-V235 VanDerWaalsContact O-CG2 3.28Å; A231-V235 WeakPolarHBondContact O-CG2 3.24Å; A231-V235 PolarHBondContact O-N 2.84Å; A231-V235 VanDerWaalsContact O-N 3.1Å; G232-V235 PolarHBondContact O-N 3.36Å; V235-R237 VanDerWaalsContact C-N 3.28Å
236T80.6Confident81.2Confident87 Ų8741.5 Ų41.553%0.53425%0.246SC..THydrogen-bonded Turntrans-86.85176.559.70000113.7I115 G232I115-T236 HydrophobicContact CG2-CG2 3.75Å; G232-T236 WeakPolarHBondContact O-CG2 3.32Å; G232-T236 PolarHBondContact O-N 3.01Å; G232-T236 PolarHBondContact O-OG1 3.08Å
237R80.9Confident80.4Confident19 Ų1942.4 Ų42.47%0.07225%0.248CC..  trans-72.6135.9-176.9178.6162.5-77.6154-3.7111.2A29 M30 T32 T35 V233 I234 V235A29-R237 PolarHBondContact O-NH1 3.19Å; A29-R237 PolarHBondContact O-NH2 3.24Å; M30-R237 PolarHBondContact O-NH2 3.21Å; T32-R237 VanDerWaalsContact CB-NH1 3.34Å; T32-R237 PolarHBondContact O-NE 3.42Å; T32-R237 PolarHBondContact O-NH1 3.49Å; T32-R237 PolarHBondContact O-NH2 3.25Å; T35-R237 HydrophobicContact CG2-CB 4.23Å; V233-R237 PolarHBondContact O-N 3.48Å; I234-R237 WeakPolarHBondContact O-CB 3.44Å; V235-R237 VanDerWaalsContact C-N 3.28Å
238V67.8Low79.8Confident97 Ų9747.9 Ų47.959%0.58828%0.275SS*.  trans-100.1134167.8-175.30000107.4T240V238-T240 PolarHBondContact O-N 3.3Å
239S68.8Low79.5Confident83 Ų8351.5 Ų51.558%0.5830%0.297SS*.  trans-64.5108178.5-60.80000110.4
240T65.7Low79.1Confident48 Ų4852 Ų5229%0.29430%0.297SS..  trans-134.6165.517752.70000110.3V238 Q242V238-T240 PolarHBondContact O-N 3.3Å; T240-Q242 PolarHBondContact O-N 3.35Å; T240-Q242 PolarHBondContact OG1-O 2.9Å
241D70.5Confident78.7Confident137 Ų13758.1 Ų58.173%0.73333%0.326SS*.SBendtrans-78.44.2176.5-63.5-36.9000113.9
242Q73.2Confident78.3Confident82 Ų8263.5 Ų63.538%0.38335%0.353SS..SBendtrans-120.7152.2-179.6-66.6-177.3-6.700111T240 E246 N250T240-Q242 PolarHBondContact O-N 3.35Å; T240-Q242 PolarHBondContact OG1-O 2.9Å; Q242-E246 HydrophobicContact CB-CB 4.33Å; Q242-N250 PolarHBondContact OE1-ND2 3.32Å; Q242-N250 VanDerWaalsContact OE1-ND2 3.15Å
243D81.1Confident78.1Confident20 Ų2066.9 Ų66.911%0.10736%0.364CS..  trans-74.6169.1170.279.439.4000111.9F31 G245 E246 Q247F31-D243 WeakPolarHBondContact CD1-OD2 3.43Å; D243-G245 VanDerWaalsContact C-N 3.33Å; D243-G245 PolarHBondContact O-N 2.82Å; D243-G245 WeakPolarHBondContact OD1-CA 2.89Å; D243-G245 PolarHBondContact OD1-N 3.04Å; D243-E246 PolarHBondContact OD1-N 3.49Å; D243-Q247 WeakPolarHBondContact O-CB 3.12Å; D243-Q247 PolarHBondContact O-N 2.93Å
244V75.6Confident77.6Confident19 Ų1968.9 Ų68.912%0.11538%0.379CS..Hα-helixtrans-68.1-33.2-174.4164.90000112.5V233 M248V233-V244 HydrophobicContact CG1-CG1 4.45Å; V233-V244 HydrophobicContact CG1-CG2 4.31Å; V244-M248 HydrophobicContact CG1-CE 3.6Å; V244-M248 WeakPolarHBondContact O-CG 3.43Å; V244-M248 PolarHBondContact O-N 3.47Å
245G77.3Confident77.3Confident25 Ų2572.2 Ų72.226%0.25840%0.397SS..Hα-helixtrans-68.5-49.1178.800000110.9D243 Q247 M248 V249D243-G245 VanDerWaalsContact C-N 3.33Å; D243-G245 PolarHBondContact O-N 2.82Å; D243-G245 WeakPolarHBondContact OD1-CA 2.89Å; D243-G245 PolarHBondContact OD1-N 3.04Å; G245-Q247 VanDerWaalsContact C-N 3.31Å; G245-Q247 PolarHBondContact O-N 2.79Å; G245-M248 PolarHBondContact O-N 2.73Å; G245-V249 WeakPolarHBondContact O-CB 3.33Å; G245-V249 WeakPolarHBondContact O-CG2 3.37Å; G245-V249 PolarHBondContact O-N 3.31Å
246E79Confident77.3Confident100 Ų10072.2 Ų72.247%0.46740%0.397SS..Hα-helixtrans-58-45174-71.1-173.3169.500110.9Q242 D243 V249 N250Q242-E246 HydrophobicContact CB-CB 4.33Å; D243-E246 PolarHBondContact OD1-N 3.49Å; E246-V249 PolarHBondContact O-N 3.12Å; E246-N250 WeakPolarHBondContact O-CB 3.45Å; E246-N250 PolarHBondContact O-N 3.36Å; E246-N250 PolarHBondContact O-ND2 3.46Å; E246-N250 VanDerWaalsContact O-ND2 3.14Å
247Q77.4Confident77.6Confident42 Ų4272.1 Ų72.120%0.19640%0.4CS..Hα-helixtrans-62.1-47.8178.9-172.6-177.5-4.300112.2D243 G245 V249 Q251D243-Q247 WeakPolarHBondContact O-CB 3.12Å; D243-Q247 PolarHBondContact O-N 2.93Å; G245-Q247 VanDerWaalsContact C-N 3.31Å; G245-Q247 PolarHBondContact O-N 2.79Å; Q247-V249 PolarHBondContact O-N 3.01Å; Q247-Q251 HydrophobicContact CG-CG 4.2Å; Q247-Q251 VanDerWaalsContact O-CB 3.24Å; Q247-Q251 WeakPolarHBondContact O-CB 3.49Å; Q247-Q251 VanDerWaalsContact O-CG 3.25Å; Q247-Q251 WeakPolarHBondContact O-CG 3.49Å; Q247-Q251 PolarHBondContact O-N 2.87Å
248M77.9Confident77.8Confident115 Ų11574.8 Ų74.857%0.56742%0.418SS*.Hα-helixtrans-62.3-44.7179.1-74.7-165.5-159.500111.4V244 G245 L252V244-M248 HydrophobicContact CG1-CE 3.6Å; V244-M248 WeakPolarHBondContact O-CG 3.43Å; V244-M248 PolarHBondContact O-N 3.47Å; G245-M248 PolarHBondContact O-N 2.73Å; M248-L252 VanDerWaalsContact O-CB 3.24Å; M248-L252 WeakPolarHBondContact O-CB 3.34Å; M248-L252 WeakPolarHBondContact O-CG 3.3Å; M248-L252 PolarHBondContact O-N 3.04Å
249V81.6Confident78.8Confident82 Ų8270.4 Ų70.450%0.49739%0.391SS..Hα-helixtrans-67.5-47.8-179.9174.60000110.4G245 E246 Q247 Q251 F253G245-V249 WeakPolarHBondContact O-CB 3.33Å; G245-V249 WeakPolarHBondContact O-CG2 3.37Å; G245-V249 PolarHBondContact O-N 3.31Å; E246-V249 PolarHBondContact O-N 3.12Å; Q247-V249 PolarHBondContact O-N 3.01Å; V249-Q251 PolarHBondContact O-N 3.27Å; V249-F253 HydrophobicContact CG1-CD2 4.04Å; V249-F253 WeakPolarHBondContact O-CB 3.23Å; V249-F253 VanDerWaalsContact O-CD2 3.28Å; V249-F253 WeakPolarHBondContact O-CD2 3.41Å; V249-F253 PolarHBondContact O-N 3.37Å
250N81.1Confident79.9Confident73 Ų7370.7 Ų70.739%0.3939%0.386SS..Hα-helixtrans-62.9-44.7179.4-69.5-24.6000111.1Q242 E246 S254Q242-N250 PolarHBondContact OE1-ND2 3.32Å; Q242-N250 VanDerWaalsContact OE1-ND2 3.15Å; E246-N250 WeakPolarHBondContact O-CB 3.45Å; E246-N250 PolarHBondContact O-N 3.36Å; E246-N250 PolarHBondContact O-ND2 3.46Å; E246-N250 VanDerWaalsContact O-ND2 3.14Å; N250-S254 WeakPolarHBondContact O-CA 3.26Å; N250-S254 WeakPolarHBondContact O-CB 3.48Å; N250-S254 PolarHBondContact O-N 3.01Å; N250-S254 PolarHBondContact O-OG 2.84Å
251Q80.4Confident81.1Confident129 Ų12974 Ų7460%0.60340%0.401SS*.Hα-helixtrans-72.4-38-177.5-68.6-174.60.600113Q247 V249 S254Q247-Q251 HydrophobicContact CG-CG 4.2Å; Q247-Q251 VanDerWaalsContact O-CB 3.24Å; Q247-Q251 WeakPolarHBondContact O-CB 3.49Å; Q247-Q251 VanDerWaalsContact O-CG 3.25Å; Q247-Q251 WeakPolarHBondContact O-CG 3.49Å; Q247-Q251 PolarHBondContact O-N 2.87Å; V249-Q251 PolarHBondContact O-N 3.27Å; Q251-S254 PolarHBondContact O-OG 2.74Å
252L80.2Confident82.1Confident119 Ų11969.9 Ų69.962%0.62338%0.383SS*.Hα-helixtrans-72.9-33.5178.1-69.5175000112.9M248M248-L252 VanDerWaalsContact O-CB 3.24Å; M248-L252 WeakPolarHBondContact O-CB 3.34Å; M248-L252 WeakPolarHBondContact O-CG 3.3Å; M248-L252 PolarHBondContact O-N 3.04Å
253F82Confident83Confident86 Ų8666 Ų6638%0.37737%0.365SS..Hα-helixtrans-108.3-1.6-174-62.7-75.2000114.7V249 N255 M259 I294V249-F253 HydrophobicContact CG1-CD2 4.04Å; V249-F253 WeakPolarHBondContact O-CB 3.23Å; V249-F253 VanDerWaalsContact O-CD2 3.28Å; V249-F253 WeakPolarHBondContact O-CD2 3.41Å; V249-F253 PolarHBondContact O-N 3.37Å; F253-N255 PolarHBondContact O-N 3.34Å; F253-M259 HydrophobicContact CD1-CE 3.64Å; F253-M259 HydrophobicContact CD1-SD 4.17Å; F253-M259 HydrophobicContact CE1-CE 4.16Å; F253-I294 WeakPolarHBondContact O-CD1 3.49Å
254S77.6Confident83.5Confident69 Ų6967.4 Ų67.448%0.48338%0.379SS..SBendtrans-70.2-28.5-179.247.30000114.3N250 Q251 P256N250-S254 WeakPolarHBondContact O-CA 3.26Å; N250-S254 WeakPolarHBondContact O-CB 3.48Å; N250-S254 PolarHBondContact O-N 3.01Å; N250-S254 PolarHBondContact O-OG 2.84Å; Q251-S254 PolarHBondContact O-OG 2.74Å; S254-P256 WeakPolarHBondContact O-CD 3.39Å
255N81.8Confident84.4Confident71 Ų7170.2 Ų70.238%0.3840%0.396SS..  trans-105.4106.5-174.3-168.7-31.7000111.3F253 S257 V258 M259F253-N255 PolarHBondContact O-N 3.34Å; N255-S257 PolarHBondContact O-N 2.9Å; N255-S257 VanDerWaalsContact O-N 3.08Å; N255-S257 WeakPolarHBondContact OD1-CB 3.19Å; N255-S257 PolarHBondContact OD1-N 3.05Å; N255-S257 PolarHBondContact OD1-OG 3.37Å; N255-V258 HydrophobicContact CB-CB 4.35Å; N255-V258 HydrophobicContact CB-CG2 3.86Å; N255-V258 PolarHBondContact O-N 2.79Å; N255-M259 PolarHBondContact O-N 2.88Å
256P83.7Confident85.2Confident14 Ų1471.3 Ų71.39%0.09140%0.396CS..Hα-helixtrans-56.5-28178.7-25.734.3000113.6S254 M259 L260 I294 R295S254-P256 WeakPolarHBondContact O-CD 3.39Å; P256-M259 PolarHBondContact O-N 3.38Å; P256-L260 WeakPolarHBondContact O-CB 3.47Å; P256-L260 PolarHBondContact O-N 2.87Å; P256-I294 HydrophobicContact CG-CB 4.35Å; P256-I294 HydrophobicContact CG-CG2 3.86Å; P256-R295 HydrophobicContact CB-CB 4.38Å; P256-R295 HydrophobicContact CG-CB 4.38Å
257S85.6Confident85.8Confident85 Ų8567.1 Ų67.159%0.59438%0.38SS*.Hα-helixtrans-69.2-38179.8-49.10000111.9N255 M259 L260 L261N255-S257 PolarHBondContact O-N 2.9Å; N255-S257 VanDerWaalsContact O-N 3.08Å; N255-S257 WeakPolarHBondContact OD1-CB 3.19Å; N255-S257 PolarHBondContact OD1-N 3.05Å; N255-S257 PolarHBondContact OD1-OG 3.37Å; S257-M259 VanDerWaalsContact C-N 3.32Å; S257-L260 PolarHBondContact O-N 3.38Å; S257-L261 WeakPolarHBondContact O-CB 3.38Å; S257-L261 PolarHBondContact O-N 3.44Å
258V86.4Confident86.5Confident75 Ų7571 Ų7146%0.45540%0.401SS..Hα-helixtrans-64.7-40.8175.8177.20000110.1N255 S262N255-V258 HydrophobicContact CB-CB 4.35Å; N255-V258 HydrophobicContact CB-CG2 3.86Å; N255-V258 PolarHBondContact O-N 2.79Å; V258-S262 WeakPolarHBondContact O-CB 2.92Å; V258-S262 PolarHBondContact O-N 3.43Å; V258-S262 PolarHBondContact O-OG 2.94Å
259M88.3Confident87.1Confident4 Ų468.8 Ų68.82%0.0239%0.391CS..Hα-helixtrans-66.1-43.2177.6-57.9-173.473.200111.9F253 N255 P256 S257 S262 A263 L287 L290 A291 I294F253-M259 HydrophobicContact CD1-CE 3.64Å; F253-M259 HydrophobicContact CD1-SD 4.17Å; F253-M259 HydrophobicContact CE1-CE 4.16Å; N255-M259 PolarHBondContact O-N 2.88Å; P256-M259 PolarHBondContact O-N 3.38Å; S257-M259 VanDerWaalsContact C-N 3.32Å; M259-S262 PolarHBondContact O-N 3.01Å; M259-A263 VanDerWaalsContact O-CB 3.31Å; M259-A263 WeakPolarHBondContact O-CB 3.46Å; M259-A263 PolarHBondContact O-N 3.4Å; M259-L287 HydrophobicContact CE-CD2 3.82Å; M259-L290 HydrophobicContact CE-CB 3.33Å; M259-L290 HydrophobicContact CE-CD1 3.94Å; M259-L290 HydrophobicContact CE-CG 4.28Å; M259-L290 HydrophobicContact SD-CB 4.44Å; M259-A291 HydrophobicContact CB-CB 3.85Å; M259-A291 HydrophobicContact SD-CB 4.42Å; M259-I294 HydrophobicContact SD-CD1 3.93Å
260L90.7Very high87.5Confident90 Ų9065 Ų6547%0.47137%0.368SS..Hα-helixtrans-65.8-41.9178.7-169.8126.9000111.7P256 S257 A263 A264 L288P256-L260 WeakPolarHBondContact O-CB 3.47Å; P256-L260 PolarHBondContact O-N 2.87Å; S257-L260 PolarHBondContact O-N 3.38Å; L260-A263 PolarHBondContact O-N 3.46Å; L260-A264 WeakPolarHBondContact O-CB 3.19Å; L260-A264 PolarHBondContact O-N 3.33Å; L260-L288 HydrophobicContact CD1-CD2 4.26Å; L260-L288 HydrophobicContact CG-CD2 4.36Å
261L91.7Very high87.8Confident118 Ų11867.6 Ų67.662%0.61838%0.381SS*.Hα-helixtrans-64.3-44.8175-174.367.2000111.5S257 A263 A264 V265S257-L261 WeakPolarHBondContact O-CB 3.38Å; S257-L261 PolarHBondContact O-N 3.44Å; L261-A263 VanDerWaalsContact C-N 3.33Å; L261-A263 PolarHBondContact O-N 2.95Å; L261-A264 WeakPolarHBondContact O-CB 3.34Å; L261-A264 PolarHBondContact O-N 2.92Å; L261-V265 WeakPolarHBondContact O-CG2 3.41Å; L261-V265 PolarHBondContact O-N 2.91Å
262S91Very high88.3Confident50 Ų5064.6 Ų64.635%0.3537%0.372SS..Hα-helixtrans-61.3-42.6176.6-58.70000111.5V258 M259 V265 L266V258-S262 WeakPolarHBondContact O-CB 2.92Å; V258-S262 PolarHBondContact O-N 3.43Å; V258-S262 PolarHBondContact O-OG 2.94Å; M259-S262 PolarHBondContact O-N 3.01Å; S262-V265 PolarHBondContact O-N 3.49Å; S262-L266 WeakPolarHBondContact O-CB 3.22Å; S262-L266 WeakPolarHBondContact O-CG 3.19Å; S262-L266 PolarHBondContact O-N 3.24Å
263A92.5Very high88.5Confident1 Ų164.7 Ų64.71%0.00838%0.379CS..Hα-helixtrans-63.9-39.5174.900000112M259 L260 L261 L266 G267 T284 L287 L288M259-A263 VanDerWaalsContact O-CB 3.31Å; M259-A263 WeakPolarHBondContact O-CB 3.46Å; M259-A263 PolarHBondContact O-N 3.4Å; L260-A263 PolarHBondContact O-N 3.46Å; L261-A263 VanDerWaalsContact C-N 3.33Å; L261-A263 PolarHBondContact O-N 2.95Å; A263-L266 PolarHBondContact O-N 3.06Å; A263-G267 PolarHBondContact O-N 3.19Å; A263-T284 HydrophobicContact CB-CG2 4.27Å; A263-T284 WeakPolarHBondContact O-CG2 3.39Å; A263-L287 HydrophobicContact CB-CB 3.81Å; A263-L287 HydrophobicContact CB-CD1 4.36Å; A263-L288 HydrophobicContact CB-CD2 3.85Å; A263-L288 HydrophobicContact CB-CG 3.76Å
264A92.7Very high88.6Confident48 Ų4864.6 Ų64.640%0.39740%0.403SS..Hα-helixtrans-63.2-44.1176.300000111.8L260 L261 G267 L268L260-A264 WeakPolarHBondContact O-CB 3.19Å; L260-A264 PolarHBondContact O-N 3.33Å; L261-A264 WeakPolarHBondContact O-CB 3.34Å; L261-A264 PolarHBondContact O-N 2.92Å; A264-G267 PolarHBondContact O-N 3.39Å; A264-L268 WeakPolarHBondContact O-CB 3.24Å; A264-L268 WeakPolarHBondContact O-CG 3.48Å; A264-L268 PolarHBondContact O-N 3.39Å
265V93.7Very high89Confident78 Ų7864.7 Ų64.747%0.47340%0.397SS..Hα-helixtrans-64.7-46.9177.1174.70000111.1L261 S262 G267 L268 L269L261-V265 WeakPolarHBondContact O-CG2 3.41Å; L261-V265 PolarHBondContact O-N 2.91Å; S262-V265 PolarHBondContact O-N 3.49Å; V265-G267 VanDerWaalsContact C-N 3.31Å; V265-G267 PolarHBondContact O-N 2.7Å; V265-L268 PolarHBondContact O-N 2.94Å; V265-L269 HydrophobicContact CG1-CD1 4.1Å; V265-L269 WeakPolarHBondContact O-CG 3.45Å; V265-L269 PolarHBondContact O-N 3.31Å
266L93.5Very high89.4Confident49 Ų4965.2 Ų65.226%0.25740%0.404SS..Hα-helixtrans-63.7-37.4176.6-72.3174.5000112.2S262 A263 L269 G270 F280 F283 T284 L287S262-L266 WeakPolarHBondContact O-CB 3.22Å; S262-L266 WeakPolarHBondContact O-CG 3.19Å; S262-L266 PolarHBondContact O-N 3.24Å; A263-L266 PolarHBondContact O-N 3.06Å; L266-L269 PolarHBondContact O-N 3.42Å; L266-G270 PolarHBondContact O-N 2.79Å; L266-F280 HydrophobicContact CB-CD1 4.37Å; L266-F280 HydrophobicContact CD2-CD1 3.73Å; L266-F280 HydrophobicContact CD2-CE1 3.75Å; L266-F283 HydrophobicContact CD1-CB 4.14Å; L266-T284 WeakPolarHBondContact CB-OG1 3.39Å; L266-L287 HydrophobicContact CD1-CD1 3.79Å
267G92.5Very high89.7Confident12 Ų1267.4 Ų67.412%0.12442%0.415CS..Hα-helixtrans-65.6-43.7176.700000111.9A263 A264 V265 G270 L271 T284A263-G267 PolarHBondContact O-N 3.19Å; A264-G267 PolarHBondContact O-N 3.39Å; V265-G267 VanDerWaalsContact C-N 3.31Å; V265-G267 PolarHBondContact O-N 2.7Å; G267-G270 PolarHBondContact O-N 2.8Å; G267-L271 WeakPolarHBondContact O-CG 3.28Å; G267-L271 PolarHBondContact O-N 3.08Å; G267-T284 WeakPolarHBondContact CA-OG1 3.41Å; G267-T284 PolarHBondContact N-OG1 2.87Å; G267-T284 VanDerWaalsContact N-OG1 3.16Å
268L91.8Very high89.9Confident122 Ų12270.6 Ų70.664%0.63942%0.424SS*.Hα-helixtrans-63.3-45.3175.2-77.7168000112A264 V265 G270 L271A264-L268 WeakPolarHBondContact O-CB 3.24Å; A264-L268 WeakPolarHBondContact O-CG 3.48Å; A264-L268 PolarHBondContact O-N 3.39Å; V265-L268 PolarHBondContact O-N 2.94Å; L268-G270 VanDerWaalsContact C-N 3.33Å; L268-L271 PolarHBondContact O-N 3.3Å
269L90.3Very high90.2Very high70 Ų7070.8 Ų70.837%0.36643%0.425SS..Hα-helixtrans-63.6-40.1175.3-71.8172000111.6V265 L266 L271 V272 M275 F280V265-L269 HydrophobicContact CG1-CD1 4.1Å; V265-L269 WeakPolarHBondContact O-CG 3.45Å; V265-L269 PolarHBondContact O-N 3.31Å; L266-L269 PolarHBondContact O-N 3.42Å; L269-L271 PolarHBondContact O-N 3.44Å; L269-V272 WeakPolarHBondContact O-CB 3.32Å; L269-V272 PolarHBondContact O-N 3.11Å; L269-M275 HydrophobicContact CB-SD 4.09Å; L269-M275 HydrophobicContact CD2-CE 4.15Å; L269-M275 HydrophobicContact CD2-SD 4.47Å; L269-F280 HydrophobicContact CB-CD1 4.12Å; L269-F280 HydrophobicContact CB-CE1 3.98Å; L269-F280 HydrophobicContact CD1-CE1 4.36Å
270G89.3Confident90.5Very high1 Ų172.8 Ų72.81%0.0143%0.434CS..Hα-helixtrans-67.9-12.117800000115.2L266 G267 L268 N277L266-G270 PolarHBondContact O-N 2.79Å; G267-G270 PolarHBondContact O-N 2.8Å; L268-G270 VanDerWaalsContact C-N 3.33Å; G270-N277 WeakPolarHBondContact O-CB 3.32Å; G270-N277 PolarHBondContact O-OD1 2.95Å
271L88.3Confident90.4Very high128 Ų12872.5 Ų72.567%0.6743%0.432SS*.THydrogen-bonded Turntrans-87.9-12.8171.8-71.1166.9000112.6G267 L268 L269 P273G267-L271 WeakPolarHBondContact O-CG 3.28Å; G267-L271 PolarHBondContact O-N 3.08Å; L268-L271 PolarHBondContact O-N 3.3Å; L269-L271 PolarHBondContact O-N 3.44Å; L271-P273 WeakPolarHBondContact O-CD 3.5Å
272V90.3Very high90.5Very high66 Ų6672.6 Ų72.640%0.443%0.433SS..SBendtrans-72.2122.3-179.7179.80000109.9L269 G274 M275 N277L269-V272 WeakPolarHBondContact O-CB 3.32Å; L269-V272 PolarHBondContact O-N 3.11Å; V272-G274 PolarHBondContact O-N 3.46Å; V272-M275 HydrophobicContact CB-CE 4.44Å; V272-M275 HydrophobicContact CB-CG 4.44Å; V272-M275 HydrophobicContact CB-SD 4.41Å; V272-M275 HydrophobicContact CG1-CE 4.47Å; V272-M275 PolarHBondContact O-N 3.25Å; V272-N277 PolarHBondContact O-OD1 3.13Å
273P84Confident90.6Very high121 Ų12176 Ų7679%0.78644%0.442SS*.THydrogen-bonded Turntrans-64.7125.5178.825.1-32.1000110.8L271L271-P273 WeakPolarHBondContact O-CD 3.5Å
274G85Confident90.7Very high84 Ų8476.8 Ų76.887%0.86645%0.446SS*.THydrogen-bonded Turntrans113.9-13.4-177.300000114.4V272V272-G274 PolarHBondContact O-N 3.46Å
275M86.7Confident90.7Very high72 Ų7277.5 Ų77.536%0.35545%0.452SS..SBendtrans-85.9159.2172-65.3-163.1-177.500111.4L269 V272 N277 F280L269-M275 HydrophobicContact CB-SD 4.09Å; L269-M275 HydrophobicContact CD2-CE 4.15Å; L269-M275 HydrophobicContact CD2-SD 4.47Å; V272-M275 HydrophobicContact CB-CE 4.44Å; V272-M275 HydrophobicContact CB-CG 4.44Å; V272-M275 HydrophobicContact CB-SD 4.41Å; V272-M275 HydrophobicContact CG1-CE 4.47Å; V272-M275 PolarHBondContact O-N 3.25Å; M275-N277 PolarHBondContact O-N 2.98Å; M275-N277 PolarHBondContact O-OD1 3.47Å; M275-F280 HydrophobicContact CB-CD2 4.5Å; M275-F280 HydrophobicContact CB-CE2 4.37Å; M275-F280 HydrophobicContact SD-CE2 4.41Å; M275-F280 HydrophobicContact SD-CZ 4.29Å
276P89.3Confident90.7Very high81 Ų8175.6 Ų75.653%0.52645%0.449SS..  trans-71.474.5171.829.1-34.5000110.3L278 V279 F280P276-L278 PolarHBondContact O-N 3.41Å; P276-L278 VanDerWaalsContact O-N 3.11Å; P276-V279 HydrophobicContact CB-CB 4.38Å; P276-V279 HydrophobicContact CB-CG2 4.14Å; P276-V279 WeakPolarHBondContact O-CB 3.17Å; P276-V279 PolarHBondContact O-N 3.12Å; P276-F280 HydrophobicContact CG-CD2 4.09Å; P276-F280 HydrophobicContact CG-CE2 3.91Å; P276-F280 PolarHBondContact O-N 3.33Å
277N89.5Confident90.6Very high61 Ų6174.7 Ų74.733%0.32644%0.444SS..Hα-helixtrans-52.6-39.7-169.3-64.4-4.9000113G270 V272 M275 V279 F280 L281G270-N277 WeakPolarHBondContact O-CB 3.32Å; G270-N277 PolarHBondContact O-OD1 2.95Å; V272-N277 PolarHBondContact O-OD1 3.13Å; M275-N277 PolarHBondContact O-N 2.98Å; M275-N277 PolarHBondContact O-OD1 3.47Å; N277-V279 VanDerWaalsContact C-N 3.31Å; N277-V279 PolarHBondContact O-N 2.98Å; N277-F280 PolarHBondContact O-N 3.47Å; N277-L281 VanDerWaalsContact O-CB 3.32Å; N277-L281 WeakPolarHBondContact O-CB 3.43Å; N277-L281 VanDerWaalsContact O-CG 3.26Å; N277-L281 WeakPolarHBondContact O-CG 3.4Å; N277-L281 PolarHBondContact O-N 3.23Å
278L90.5Very high90.6Very high152 Ų15277.9 Ų77.980%0.79646%0.457SS*.Hα-helixtrans-57.4-41.1176.8-99.5166.5000112.9P276 L282P276-L278 PolarHBondContact O-N 3.41Å; P276-L278 VanDerWaalsContact O-N 3.11Å; L278-L282 VanDerWaalsContact O-CB 3.27Å; L278-L282 WeakPolarHBondContact O-CB 3.29Å; L278-L282 PolarHBondContact O-N 3.47Å
279V93Very high90.6Very high78 Ų7873.9 Ų73.947%0.47345%0.446SS..Hα-helixtrans-69-47.4-179.8-179.10000109.9P276 N277 L282 F283P276-V279 HydrophobicContact CB-CB 4.38Å; P276-V279 HydrophobicContact CB-CG2 4.14Å; P276-V279 WeakPolarHBondContact O-CB 3.17Å; P276-V279 PolarHBondContact O-N 3.12Å; N277-V279 VanDerWaalsContact C-N 3.31Å; N277-V279 PolarHBondContact O-N 2.98Å; V279-L282 PolarHBondContact O-N 3.29Å; V279-F283 HydrophobicContact CG1-CD2 3.98Å; V279-F283 HydrophobicContact CG1-CE2 3.89Å; V279-F283 VanDerWaalsContact O-CD2 3.31Å; V279-F283 WeakPolarHBondContact O-CD2 3.41Å; V279-F283 PolarHBondContact O-N 3.5Å; V279-F283 VanDerWaalsContact O-N 3.12Å
280F93.4Very high90.5Very high46 Ų4674 Ų7420%0.20245%0.447CS..Hα-helixtrans-63-44178.8-81.8-93.2000112.5L266 L269 M275 P276 N277 L282 F283 T284L266-F280 HydrophobicContact CB-CD1 4.37Å; L266-F280 HydrophobicContact CD2-CD1 3.73Å; L266-F280 HydrophobicContact CD2-CE1 3.75Å; L269-F280 HydrophobicContact CB-CD1 4.12Å; L269-F280 HydrophobicContact CB-CE1 3.98Å; L269-F280 HydrophobicContact CD1-CE1 4.36Å; M275-F280 HydrophobicContact CB-CD2 4.5Å; M275-F280 HydrophobicContact CB-CE2 4.37Å; M275-F280 HydrophobicContact SD-CE2 4.41Å; M275-F280 HydrophobicContact SD-CZ 4.29Å; P276-F280 HydrophobicContact CG-CD2 4.09Å; P276-F280 HydrophobicContact CG-CE2 3.91Å; P276-F280 PolarHBondContact O-N 3.33Å; N277-F280 PolarHBondContact O-N 3.47Å; F280-L282 VanDerWaalsContact C-N 3.33Å; F280-L282 PolarHBondContact O-N 2.9Å; F280-F283 PolarHBondContact O-N 3.04Å; F280-T284 WeakPolarHBondContact O-CB 3.49Å; F280-T284 PolarHBondContact O-N 3.14Å; F280-T284 PolarHBondContact O-OG1 2.73Å
281L90.1Very high90.5Very high84 Ų8474.2 Ų74.244%0.4445%0.448SS..Hα-helixtrans-66.4-35.3178.2-71.1173.2000112N277 T284 A285N277-L281 VanDerWaalsContact O-CB 3.32Å; N277-L281 WeakPolarHBondContact O-CB 3.43Å; N277-L281 VanDerWaalsContact O-CG 3.26Å; N277-L281 WeakPolarHBondContact O-CG 3.4Å; N277-L281 PolarHBondContact O-N 3.23Å; L281-T284 PolarHBondContact O-N 3.41Å; L281-A285 WeakPolarHBondContact O-CB 3.43Å; L281-A285 PolarHBondContact O-N 3.47Å
282L93.4Very high90.5Very high120 Ų12078.2 Ų78.263%0.62846%0.455SS*.Hα-helixtrans-63.1-49.6174.8-174.7154.9000111.5L278 V279 F280 T284 A285 G286L278-L282 VanDerWaalsContact O-CB 3.27Å; L278-L282 WeakPolarHBondContact O-CB 3.29Å; L278-L282 PolarHBondContact O-N 3.47Å; V279-L282 PolarHBondContact O-N 3.29Å; F280-L282 VanDerWaalsContact C-N 3.33Å; F280-L282 PolarHBondContact O-N 2.9Å; L282-T284 VanDerWaalsContact C-N 3.32Å; L282-T284 PolarHBondContact O-N 2.94Å; L282-A285 PolarHBondContact O-N 3.26Å; L282-G286 PolarHBondContact O-N 2.98Å
283F93.5Very high90.4Very high123 Ų12381.9 Ų81.954%0.53946%0.461SS..Hα-helixtrans-64-38.2176.2-81.5-75.1000112.2L266 V279 F280 G286 L287L266-F283 HydrophobicContact CD1-CB 4.14Å; V279-F283 HydrophobicContact CG1-CD2 3.98Å; V279-F283 HydrophobicContact CG1-CE2 3.89Å; V279-F283 VanDerWaalsContact O-CD2 3.31Å; V279-F283 WeakPolarHBondContact O-CD2 3.41Å; V279-F283 PolarHBondContact O-N 3.5Å; V279-F283 VanDerWaalsContact O-N 3.12Å; F280-F283 PolarHBondContact O-N 3.04Å; F283-G286 PolarHBondContact O-N 3.4Å; F283-L287 WeakPolarHBondContact O-CB 3.29Å; F283-L287 WeakPolarHBondContact O-CG 3.42Å; F283-L287 PolarHBondContact O-N 2.89Å
284T93.7Very high90.4Very high16 Ų1677.8 Ų77.810%0.09843%0.433CS..Hα-helixtrans-59.3-49.7174.8-600000110.9A263 L266 G267 F280 L281 L282 G286 L287 L288A263-T284 HydrophobicContact CB-CG2 4.27Å; A263-T284 WeakPolarHBondContact O-CG2 3.39Å; L266-T284 WeakPolarHBondContact CB-OG1 3.39Å; G267-T284 WeakPolarHBondContact CA-OG1 3.41Å; G267-T284 PolarHBondContact N-OG1 2.87Å; G267-T284 VanDerWaalsContact N-OG1 3.16Å; F280-T284 WeakPolarHBondContact O-CB 3.49Å; F280-T284 PolarHBondContact O-N 3.14Å; F280-T284 PolarHBondContact O-OG1 2.73Å; L281-T284 PolarHBondContact O-N 3.41Å; L282-T284 VanDerWaalsContact C-N 3.32Å; L282-T284 PolarHBondContact O-N 2.94Å; T284-G286 PolarHBondContact O-N 2.79Å; T284-L287 PolarHBondContact O-N 2.74Å; T284-L288 HydrophobicContact CG2-CD1 4.12Å; T284-L288 WeakPolarHBondContact O-CB 3.35Å; T284-L288 WeakPolarHBondContact O-CG 3.34Å; T284-L288 PolarHBondContact O-N 3.06Å
285A93.5Very high90.3Very high64 Ų6480.5 Ų80.553%0.52942%0.417SS..Hα-helixtrans-63.4-41.3177.400000112L281 L282 L288 G289L281-A285 WeakPolarHBondContact O-CB 3.43Å; L281-A285 PolarHBondContact O-N 3.47Å; L282-A285 PolarHBondContact O-N 3.26Å; A285-L288 PolarHBondContact O-N 3.15Å; A285-G289 PolarHBondContact O-N 2.9Å
286G93.3Very high89.9Confident38 Ų3878.6 Ų78.639%0.39242%0.416SS..Hα-helixtrans-61.9-46176.700000112.9L282 F283 T284 G289 L290L282-G286 PolarHBondContact O-N 2.98Å; F283-G286 PolarHBondContact O-N 3.4Å; T284-G286 PolarHBondContact O-N 2.79Å; G286-G289 PolarHBondContact O-N 2.86Å; G286-L290 WeakPolarHBondContact O-CB 3.45Å; G286-L290 WeakPolarHBondContact O-CG 3.43Å; G286-L290 PolarHBondContact O-N 2.79Å
287L92.2Very high89.1Confident30 Ų3082.3 Ų82.316%0.15742%0.419CS..Hα-helixtrans-66.9-42.6177.5-73.3175.1000112.3M259 A263 L266 F283 T284 G289 L290 A291M259-L287 HydrophobicContact CE-CD2 3.82Å; A263-L287 HydrophobicContact CB-CB 3.81Å; A263-L287 HydrophobicContact CB-CD1 4.36Å; L266-L287 HydrophobicContact CD1-CD1 3.79Å; F283-L287 WeakPolarHBondContact O-CB 3.29Å; F283-L287 WeakPolarHBondContact O-CG 3.42Å; F283-L287 PolarHBondContact O-N 2.89Å; T284-L287 PolarHBondContact O-N 2.74Å; L287-G289 VanDerWaalsContact C-N 3.33Å; L287-G289 PolarHBondContact O-N 3.39Å; L287-L290 PolarHBondContact O-N 2.76Å; L287-A291 WeakPolarHBondContact O-CB 3.31Å; L287-A291 PolarHBondContact O-N 3.22Å
288L91.8Very high87.9Confident78 Ų7884.7 Ų84.741%0.40843%0.428SS..Hα-helixtrans-62.4-41.5174.3-71.9174.8000111.5L260 A263 T284 A285 A291 W292L260-L288 HydrophobicContact CD1-CD2 4.26Å; L260-L288 HydrophobicContact CG-CD2 4.36Å; A263-L288 HydrophobicContact CB-CD2 3.85Å; A263-L288 HydrophobicContact CB-CG 3.76Å; T284-L288 HydrophobicContact CG2-CD1 4.12Å; T284-L288 WeakPolarHBondContact O-CB 3.35Å; T284-L288 WeakPolarHBondContact O-CG 3.34Å; T284-L288 PolarHBondContact O-N 3.06Å; A285-L288 PolarHBondContact O-N 3.15Å; L288-A291 PolarHBondContact O-N 3.3Å; L288-W292 VanDerWaalsContact O-CB 3.28Å; L288-W292 WeakPolarHBondContact O-CB 3.49Å; L288-W292 PolarHBondContact O-N 3.49Å
289G91.3Very high86.4Confident39 Ų3984.7 Ų84.740%0.40242%0.424SS..Hα-helixtrans-62.3-46.5176.500000112.7A285 G286 L287 W292 W293A285-G289 PolarHBondContact O-N 2.9Å; G286-G289 PolarHBondContact O-N 2.86Å; L287-G289 VanDerWaalsContact C-N 3.33Å; L287-G289 PolarHBondContact O-N 3.39Å; G289-W292 PolarHBondContact O-N 3.02Å; G289-W293 WeakPolarHBondContact O-CB 3.2Å; G289-W293 PolarHBondContact O-N 3.1Å
290L89.3Confident84.1Confident73 Ų7389.8 Ų89.838%0.38244%0.44SS..Hα-helixtrans-66-44175.8-75170.4000112.1M259 G286 L287 W292 W293 I294M259-L290 HydrophobicContact CE-CB 3.33Å; M259-L290 HydrophobicContact CE-CD1 3.94Å; M259-L290 HydrophobicContact CE-CG 4.28Å; M259-L290 HydrophobicContact SD-CB 4.44Å; G286-L290 WeakPolarHBondContact O-CB 3.45Å; G286-L290 WeakPolarHBondContact O-CG 3.43Å; G286-L290 PolarHBondContact O-N 2.79Å; L287-L290 PolarHBondContact O-N 2.76Å; L290-W292 VanDerWaalsContact C-N 3.27Å; L290-W292 PolarHBondContact O-N 3.16Å; L290-W293 HydrophobicContact CD2-CE3 4.36Å; L290-W293 PolarHBondContact O-N 3.01Å; L290-W293 VanDerWaalsContact O-N 3.14Å; L290-I294 WeakPolarHBondContact O-CG1 3.47Å; L290-I294 PolarHBondContact O-N 3.4Å
291A88.3Confident81.4Confident5 Ų590.8 Ų90.84%0.04146%0.456CS..Hα-helixtrans-59.3-41.617700000111.2M259 L287 L288 R295M259-A291 HydrophobicContact CB-CB 3.85Å; M259-A291 HydrophobicContact SD-CB 4.42Å; L287-A291 WeakPolarHBondContact O-CB 3.31Å; L287-A291 PolarHBondContact O-N 3.22Å; L288-A291 PolarHBondContact O-N 3.3Å; A291-R295 WeakPolarHBondContact O-CB 3.27Å; A291-R295 PolarHBondContact O-N 3Å
292W88.6Confident79.2Confident212 Ų21292.6 Ų92.680%0.80347%0.473SS*.Hα-helixtrans-66-40.4175.8-169.464.4000112.1L288 G289 L290 G296L288-W292 VanDerWaalsContact O-CB 3.28Å; L288-W292 WeakPolarHBondContact O-CB 3.49Å; L288-W292 PolarHBondContact O-N 3.49Å; G289-W292 PolarHBondContact O-N 3.02Å; L290-W292 VanDerWaalsContact C-N 3.27Å; L290-W292 PolarHBondContact O-N 3.16Å; W292-G296 PolarHBondContact O-N 3.07Å
293W87Confident76.7Confident143 Ų14391.3 Ų91.354%0.54248%0.48SS..Hα-helixtrans-64.7-43.7177.1-174.957.4000113.1G289 L290 G296 R297G289-W293 WeakPolarHBondContact O-CB 3.2Å; G289-W293 PolarHBondContact O-N 3.1Å; L290-W293 HydrophobicContact CD2-CE3 4.36Å; L290-W293 PolarHBondContact O-N 3.01Å; L290-W293 VanDerWaalsContact O-N 3.14Å; W293-G296 PolarHBondContact O-N 2.83Å; W293-R297 PolarHBondContact O-N 3.31Å
294I84.2Confident74Confident35 Ų3593.8 Ų93.818%0.17949%0.493CS..Hα-helixtrans-69-45.4178.7-64.1174.4000110.5F253 P256 M259 L290 G296 R297 E298F253-I294 WeakPolarHBondContact O-CD1 3.49Å; P256-I294 HydrophobicContact CG-CB 4.35Å; P256-I294 HydrophobicContact CG-CG2 3.86Å; M259-I294 HydrophobicContact SD-CD1 3.93Å; L290-I294 WeakPolarHBondContact O-CG1 3.47Å; L290-I294 PolarHBondContact O-N 3.4Å; I294-G296 PolarHBondContact O-N 2.79Å; I294-R297 WeakPolarHBondContact O-CA 3.42Å; I294-R297 WeakPolarHBondContact O-CB 3.44Å; I294-R297 PolarHBondContact O-N 3.3Å; I294-E298 PolarHBondContact O-N 3.32Å
295R82.8Confident71.5Confident141 Ų14198.9 Ų98.953%0.53253%0.526SS..Hα-helixtrans-61.9-33.2176.9-165.2174.9-176176.41.6112.3P256 A291 R297 E298 Q299P256-R295 HydrophobicContact CB-CB 4.38Å; P256-R295 HydrophobicContact CG-CB 4.38Å; A291-R295 WeakPolarHBondContact O-CB 3.27Å; A291-R295 PolarHBondContact O-N 3Å; R295-R297 VanDerWaalsContact C-N 3.32Å; R295-E298 PolarHBondContact O-N 3.06Å; R295-Q299 PolarHBondContact O-N 3.41Å
296G78.3Confident68.8Low32 Ų32104.6 Ų104.633%0.3354%0.539SS..Hα-helixtrans-68-26.1172.700000114.2W292 W293 I294 K300W292-G296 PolarHBondContact O-N 3.07Å; W293-G296 PolarHBondContact O-N 2.83Å; I294-G296 PolarHBondContact O-N 2.79Å; G296-K300 PolarHBondContact O-N 3.34Å
297R74.1Confident66.3Low158 Ų158108.6 Ų108.660%0.59656%0.558SS**Hα-helixtrans-75.7-42.8170.4-76.8-177.3172.3-175.8-3.7111.6W293 I294 R295 Q299 K300 A301W293-R297 PolarHBondContact O-N 3.31Å; I294-R297 WeakPolarHBondContact O-CA 3.42Å; I294-R297 WeakPolarHBondContact O-CB 3.44Å; I294-R297 PolarHBondContact O-N 3.3Å; R295-R297 VanDerWaalsContact C-N 3.32Å; R297-Q299 VanDerWaalsContact C-N 3.33Å; R297-Q299 PolarHBondContact O-N 2.9Å; R297-K300 PolarHBondContact O-N 2.96Å; R297-K300 VanDerWaalsContact O-N 3.11Å; R297-A301 PolarHBondContact O-N 2.98Å
298E64Low63.7Low111 Ų111113.3 Ų113.352%0.51959%0.588SS.*Hα-helixtrans-62.9-38.4177.1-70-175.7156.700112.1I294 R295 K300 A301I294-E298 PolarHBondContact O-N 3.32Å; R295-E298 PolarHBondContact O-N 3.06Å; E298-K300 VanDerWaalsContact C-N 3.26Å; E298-K300 PolarHBondContact O-N 3.21Å; E298-A301 PolarHBondContact O-N 3.42Å
299Q58.3Low60.9Low152 Ų152118.9 Ų118.971%0.7161%0.609SS**THydrogen-bonded Turntrans-73.1-16.1175.5-73.2-177.1-9.700114R295 R297R295-Q299 PolarHBondContact O-N 3.41Å; R297-Q299 VanDerWaalsContact C-N 3.33Å; R297-Q299 PolarHBondContact O-N 2.9Å
300K46Very low58.2Low186 Ų186125.2 Ų125.281%0.80963%0.63SS**THydrogen-bonded Turntrans-95.97.5178.2-82.3-174.5174.5-1780114.1G296 R297 E298G296-K300 PolarHBondContact O-N 3.34Å; R297-K300 PolarHBondContact O-N 2.96Å; R297-K300 VanDerWaalsContact O-N 3.11Å; E298-K300 VanDerWaalsContact C-N 3.26Å; E298-K300 PolarHBondContact O-N 3.21Å
301A36.7Very low55.6Low66 Ų66125.7 Ų125.755%0.54564%0.644SS.*  trans-137.4123.3168.500000109R297 E298R297-A301 PolarHBondContact O-N 2.98Å; E298-A301 PolarHBondContact O-N 3.42Å
302P43.8Very low52.9Low123 Ų123134.2 Ų134.280%0.79968%0.684SS**  cis-116.2121.437.724-5.5000112.3E304P302-E304 PolarHBondContact O-N 3.38Å
303A40.8Very low50.3Low92 Ų92130.2 Ų130.276%0.7668%0.678SS**  trans-58129.5152.300000107.3
304E35.6Very low47.9Very low175 Ų175131.4 Ų131.482%0.81870%0.695SS**  trans-38.4140.6177.8-73.6168.9140.200111.6P302 K306P302-E304 PolarHBondContact O-N 3.38Å; E304-K306 PolarHBondContact O-N 3.44Å
305P42.2Very low45.9Very low123 Ų123134.6 Ų134.680%0.79972%0.716SS**  trans-56.4110.417624.2-30.8000107.3P307P305-P307 VanDerWaalsContact O-N 3.13Å
306K36.1Very low44.2Very low185 Ų185134.1 Ų134.180%0.80473%0.728SS**  trans-47.9125.6170.5-74.8178.6176.9176.60105.9E304 V308E304-K306 PolarHBondContact O-N 3.44Å; K306-V308 PolarHBondContact O-N 2.89Å
307P40.2Very low43.1Very low121 Ų121138.2 Ų138.279%0.78675%0.747SS**  trans-57.6108.4179.721.6-30.2000106.3P305 K309P305-P307 VanDerWaalsContact O-N 3.13Å; P307-K309 VanDerWaalsContact C-N 3.3Å; P307-K309 PolarHBondContact O-N 3.1Å
308V39Very low42.1Very low130 Ų130138.2 Ų138.279%0.78875%0.754SS**  trans-59.1107.3169.2-179.10000102.9K306 M310K306-V308 PolarHBondContact O-N 2.89Å; V308-M310 PolarHBondContact O-N 3.07Å
309K33.1Very low41.9Very low194 Ų194137.4 Ų137.484%0.84377%0.766SS**  trans-53.4102.8166.8-73.5-178174.3-176.30104.7P307 A311P307-K309 VanDerWaalsContact C-N 3.3Å; P307-K309 PolarHBondContact O-N 3.1Å; K309-A311 PolarHBondContact O-N 3.41Å
310M33.3Very low42.6Very low173 Ų173133.3 Ų133.385%0.85275%0.752SS**  trans-57.698.1165.7-80.3173.67400104.7V308 E312V308-M310 PolarHBondContact O-N 3.07Å; M310-E312 VanDerWaalsContact C-N 3.35Å; M310-E312 PolarHBondContact O-N 3.12Å; M310-E312 VanDerWaalsContact O-N 3.08Å
311A35.4Very low44.2Very low82 Ų82135.4 Ų135.468%0.67875%0.754SS**  trans-60.2110.1158.500000104.5K309 N313K309-A311 PolarHBondContact O-N 3.41Å; A311-N313 PolarHBondContact O-N 3.24Å
312E32.4Very low46.1Very low185 Ų185139.4 Ų139.486%0.86477%0.767SS**  trans-60.775.4167.7-69.4175.7157.500108.5M310M310-E312 VanDerWaalsContact C-N 3.35Å; M310-E312 PolarHBondContact O-N 3.12Å; M310-E312 VanDerWaalsContact O-N 3.08Å
313N33.2Very low47.7Very low128 Ų128138.2 Ų138.268%0.68475%0.753SS**  trans-89102.4157.4-85.9-7.5000105.6A311 T315A311-N313 PolarHBondContact O-N 3.24Å; N313-T315 PolarHBondContact O-N 3.14Å; N313-T315 PolarHBondContact O-OG1 3.47Å
314N37.6Very low49.4Very low167 Ų167137.7 Ų137.789%0.89374%0.741SS**  trans-63.257.6163.2-82.4-18.1000110.5
315T40.7Very low51.3Low103 Ų103136.9 Ų136.963%0.63274%0.737SS**  trans-84.5110.315748.40000105N313 V317N313-T315 PolarHBondContact O-N 3.14Å; N313-T315 PolarHBondContact O-OG1 3.47Å; T315-V317 VanDerWaalsContact C-N 3.34Å; T315-V317 PolarHBondContact O-N 3.49Å
316V48.3Very low53.2Low130 Ų130138.2 Ų138.279%0.78874%0.736SS**  trans-42.3104.1166.7178.90000106.7E318V316-E318 PolarHBondContact O-N 3.4Å
317V53.5Low55.6Low118 Ų118135.8 Ų135.872%0.71573%0.728SS**  trans-69.396.4172.71790000103.5T315 A319T315-V317 VanDerWaalsContact C-N 3.34Å; T315-V317 PolarHBondContact O-N 3.49Å; V317-A319 PolarHBondContact O-N 3.1Å
318E54.8Low57.7Low159 Ų159131.7 Ų131.774%0.74370%0.699SS**PPolyproline II helixtrans-58.8133.1170.9-73.8-170.4158.900107.6V316 T320V316-E318 PolarHBondContact O-N 3.4Å; E318-T320 WeakPolarHBondContact O-CG2 3.22Å; E318-T320 PolarHBondContact O-N 2.93Å
319A58.5Low60.1Low94 Ų94128 Ų12878%0.77768%0.68SS**PPolyproline II helixtrans-51.1125.6-179.200000109.6V317V317-A319 PolarHBondContact O-N 3.1Å
320T74.4Confident63Low66 Ų66118.9 Ų118.941%0.40564%0.64SS.*PPolyproline II helixtrans-103.1162.8179.263.50000109.9E318 N322 D323E318-T320 WeakPolarHBondContact O-CG2 3.22Å; E318-T320 PolarHBondContact O-N 2.93Å; T320-N322 PolarHBondContact O-N 2.83Å; T320-N322 PolarHBondContact OG1-N 3.19Å; T320-D323 PolarHBondContact N-OD2 3.36Å; T320-D323 WeakPolarHBondContact O-CB 3.49Å; T320-D323 PolarHBondContact O-N 3.03Å; T320-D323 PolarHBondContact OG1-OD2 3.43Å
321W78Confident65.9Low229 Ų229111 Ų11187%0.86760%0.603SS**G310 helixtrans-58.9-18.1172-74.4100.4000113.4D323 V324W321-D323 VanDerWaalsContact C-N 3.28Å; W321-D323 PolarHBondContact O-N 3.48Å; W321-V324 HydrophobicContact CE3-CG2 3.98Å; W321-V324 HydrophobicContact CZ3-CG2 4.48Å; W321-V324 WeakPolarHBondContact O-CB 3.42Å; W321-V324 PolarHBondContact O-N 3.41Å
322N77.8Confident68.7Low151 Ų151107.1 Ų107.181%0.80757%0.571SS**G310 helixtrans-74.2-18.8174.7-63.7-24000113.1T320 V324T320-N322 PolarHBondContact O-N 2.83Å; T320-N322 PolarHBondContact OG1-N 3.19Å; N322-V324 VanDerWaalsContact C-N 3.25Å
323D77.5Confident71.7Confident97 Ų9799.7 Ų99.752%0.51954%0.536SS..G310 helixtrans-81.1-9.4175.5-57.4-57.4000111.9T320 W321 Q325T320-D323 PolarHBondContact N-OD2 3.36Å; T320-D323 WeakPolarHBondContact O-CB 3.49Å; T320-D323 PolarHBondContact O-N 3.03Å; T320-D323 PolarHBondContact OG1-OD2 3.43Å; W321-D323 VanDerWaalsContact C-N 3.28Å; W321-D323 PolarHBondContact O-N 3.48Å; D323-Q325 PolarHBondContact O-N 3.47Å
324V76Confident74.7Confident81 Ų8193.8 Ų93.849%0.49150%0.504SS..  trans-73.196.3173.2-177.20000108.7W321 N322 L326W321-V324 HydrophobicContact CE3-CG2 3.98Å; W321-V324 HydrophobicContact CZ3-CG2 4.48Å; W321-V324 WeakPolarHBondContact O-CB 3.42Å; W321-V324 PolarHBondContact O-N 3.41Å; N322-V324 VanDerWaalsContact C-N 3.25Å; V324-L326 PolarHBondContact O-N 3.4Å
325Q76Confident77.3Confident158 Ų15885.8 Ų85.874%0.73846%0.462SS*.PPolyproline II helixtrans-74.5117.2170.5-64.8-174.914.500109.1D323D323-Q325 PolarHBondContact O-N 3.47Å
326L81.8Confident79.8Confident151 Ų15186.9 Ų86.979%0.79146%0.455SS*.PPolyproline II helixtrans-72137.8173.2-62.4174.5000109.3V324V324-L326 PolarHBondContact O-N 3.4Å
327E85.4Confident81.8Confident135 Ų13587.1 Ų87.163%0.63144%0.442SS*.PPolyproline II helixtrans-67.8137.8176.3-72.1-66.2169.500111.1
328D85.8Confident83.6Confident34 Ų3481.7 Ų81.718%0.18241%0.409CS..PPolyproline II helixtrans-67.5136.1173.8-68.1-44000109.4L330 H373 R375 K390D328-L330 PolarHBondContact O-N 3.41Å; D328-H373 HydrophobicContact CB-CB 4.12Å; D328-H373 VanDerWaalsContact CG-CD2 3.46Å; D328-H373 VanDerWaalsContact CG-CG 3.45Å; D328-H373 IonicContact OD1-CD2 3.29Å; D328-H373 PolarHBondContact OD1-CD2 3.1Å; D328-H373 IonicContact OD1-CE1 2.7Å; D328-H373 IonicContact OD1-CG 3.1Å; D328-H373 IonicContact OD1-ND1 3.24Å; D328-H373 IonicContact OD1-NE2 3.91Å; D328-H373 VanDerWaalsContact OD2-CB 3.23Å; D328-H373 WeakPolarHBondContact OD2-CB 3.26Å; D328-H373 IonicContact OD2-CD2 2.73Å; D328-H373 IonicContact OD2-CG 3.41Å; D328-R375 IonicContact OD2-CZ 3.48Å; D328-R375 IonicContact OD2-NE 2.82Å; D328-R375 IonicContact OD2-NH2 3.64Å; D328-R375 PolarHBondContact OD2-NH2 3.18Å; D328-K390 WeakPolarHBondContact O-CA 3.45Å; D328-K390 PolarHBondContact O-N 3.02Å
329S89.5Confident85.3Confident54 Ų5476.8 Ų76.838%0.37839%0.387SS..SBendtrans-61.3-35.2178.8-70.40000112.1M389 K390S329-M389 WeakPolarHBondContact O-CA 3.48Å; S329-M389 WeakPolarHBondContact O-CG 3.31Å; S329-K390 PolarHBondContact O-N 3.03Å
330L93.4Very high86.6Confident2 Ų275.2 Ų75.21%0.0137%0.369CS..EExtended strand (participates in β ladder)trans-142.8119.6175.3-171.461.9000109.2D328 V372 H373 I387 L388 I463 L470D328-L330 PolarHBondContact O-N 3.41Å; L330-V372 HydrophobicContact CD2-CG2 3.63Å; L330-V372 HydrophobicContact CG-CG2 4.08Å; L330-V372 WeakPolarHBondContact O-CA 3.32Å; L330-H373 PolarHBondContact O-N 2.88Å; L330-I387 HydrophobicContact CD1-CG2 4.23Å; L330-L388 WeakPolarHBondContact CA-O 3.34Å; L330-I463 HydrophobicContact CD2-CD1 4Å; L330-I463 HydrophobicContact CD2-CG1 3.94Å; L330-L470 HydrophobicContact CB-CD2 4.24Å; L330-L470 HydrophobicContact CD1-CD2 4.3Å; L330-L470 HydrophobicContact CD2-CD2 4.46Å
331G93.4Very high87.2Confident6 Ų673 Ų736%0.06236%0.355CS..EExtended strand (participates in β ladder)trans-124.2157.7-179.700000111.6H373 L388G331-H373 CarbonylContact C-O 3.6Å; G331-H373 VanDerWaalsContact CA-O 3.29Å; G331-H373 WeakPolarHBondContact CA-O 2.96Å; G331-L388 PolarHBondContact N-O 3.46Å; G331-L388 PolarHBondContact O-N 2.92Å
332M95.3Very high87.6Confident1 Ų163.2 Ų63.21%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-135.9125.4168.3-175.8174.965.100108.4V334 V342 L350 I354 V372 H373 I374 R375 R386 I387 V455M332-V334 HydrophobicContact CE-CG1 4.18Å; M332-V334 HydrophobicContact CG-CG1 4.24Å; M332-V342 HydrophobicContact CE-CG1 4.03Å; M332-L350 HydrophobicContact CE-CD2 3.76Å; M332-L350 HydrophobicContact CE-CG 4.48Å; M332-L350 HydrophobicContact SD-CD2 4.35Å; M332-I354 HydrophobicContact CE-CD1 3.91Å; M332-V372 HydrophobicContact CB-CG1 3.91Å; M332-H373 PolarHBondContact N-O 3.05Å; M332-I374 HydrophobicContact CB-CG1 4.45Å; M332-I374 HydrophobicContact CE-CB 4.44Å; M332-I374 HydrophobicContact CE-CD1 3.58Å; M332-I374 HydrophobicContact CE-CG1 3.75Å; M332-I374 HydrophobicContact CE-CG2 3.89Å; M332-I374 CarbonylContact O-C 3.58Å; M332-I374 VanDerWaalsContact O-CA 3.24Å; M332-I374 WeakPolarHBondContact O-CA 3.16Å; M332-R375 PolarHBondContact O-N 3.46Å; M332-R386 CarbonylContact C-O 3.56Å; M332-R386 WeakPolarHBondContact CA-O 3.45Å; M332-I387 HydrophobicContact CG-CG1 4.29Å; M332-V455 HydrophobicContact SD-CG1 3.94Å
333E95.1Very high87.8Confident30 Ų3058 Ų5814%0.1429%0.292CS..EExtended strand (participates in β ladder)trans-106.4140.1172.5-69.9-179.9-161.100110.7R375 N377 L380 Y385 R386 L388E333-R375 VanDerWaalsContact CA-O 3.25Å; E333-R375 WeakPolarHBondContact CA-O 3.41Å; E333-R375 HydrophobicContact CG-CB 4.44Å; E333-N377 HydrophobicContact CB-CB 4.23Å; E333-N377 HydrophobicContact CG-CB 4.46Å; E333-N377 WeakPolarHBondContact OE2-CB 3.42Å; E333-N377 PolarHBondContact OE2-ND2 2.99Å; E333-L380 HydrophobicContact CB-CD1 3.7Å; E333-Y385 CarbonylContact O-C 3.48Å; E333-Y385 VanDerWaalsContact O-CA 3.22Å; E333-Y385 WeakPolarHBondContact O-CA 3.25Å; E333-Y385 WeakPolarHBondContact O-CB 3.42Å; E333-R386 HydrophobicContact CB-CG 3.84Å; E333-R386 VanDerWaalsContact CD-NE 3.32Å; E333-R386 PolarHBondContact N-O 3.4Å; E333-R386 PolarHBondContact O-N 3.37Å; E333-R386 IonicContact OE1-CZ 3.79Å; E333-R386 IonicContact OE1-NE 2.74Å; E333-R386 IonicContact OE1-NH2 2.74Å; E333-R386 PolarHBondContact OE1-NH2 2.93Å; E333-R386 IonicContact OE2-CZ 3.71Å; E333-R386 IonicContact OE2-NE 3.6Å; E333-R386 PolarHBondContact OE2-NE 2.89Å; E333-R386 IonicContact OE2-NH2 4Å; E333-R386 PolarHBondContact OE2-NH2 3.08Å; E333-L388 HydrophobicContact CG-CD1 3.69Å; E333-L388 VanDerWaalsContact OE1-CD1 3.28Å; E333-L388 WeakPolarHBondContact OE1-CD1 3.49Å
334V95.1Very high87.8Confident3 Ų361.3 Ų61.32%0.01830%0.302CS..EExtended strand (participates in β ladder)trans-127.2138.7-176.1-59.50000111.1M332 L338 V342 I374 R375 D376 N377M332-V334 HydrophobicContact CE-CG1 4.18Å; M332-V334 HydrophobicContact CG-CG1 4.24Å; V334-L338 HydrophobicContact CB-CB 3.94Å; V334-L338 HydrophobicContact CB-CD1 4.25Å; V334-L338 HydrophobicContact CG1-CB 4.49Å; V334-L338 HydrophobicContact CG1-CD1 4.48Å; V334-V342 HydrophobicContact CG1-CG1 4.33Å; V334-V342 HydrophobicContact CG2-CG2 3.87Å; V334-I374 HydrophobicContact CG1-CG2 4.32Å; V334-I374 HydrophobicContact CG2-CG2 4.47Å; V334-R375 PolarHBondContact N-O 3.16Å; V334-D376 WeakPolarHBondContact O-CA 3.24Å; V334-N377 PolarHBondContact O-N 2.97Å
335G94Very high87.7Confident0 Ų066 Ų660%032%0.319CS..  trans-69.3160.2168.900000111.8R337 L338 P382 R384G335-R337 PolarHBondContact O-N 3.5Å; G335-L338 WeakPolarHBondContact O-CB 3.19Å; G335-L338 PolarHBondContact O-N 3.4Å; G335-P382 CarbonylContact C-O 3.55Å; G335-R384 PolarHBondContact N-O 3.37Å
336Y91.7Very high87.5Confident126 Ų12663.9 Ų63.949%0.49431%0.309SS..G310 helixtrans-58.8-27.1-169.970.1-96.5000115L338 I339 P382Y336-L338 PolarHBondContact O-N 2.86Å; Y336-I339 WeakPolarHBondContact O-CG1 3.45Å; Y336-I339 PolarHBondContact O-N 3.18Å; Y336-P382 HydrophobicContact CD1-CB 4.24Å; Y336-P382 HydrophobicContact CE1-CB 3.5Å; Y336-P382 VanDerWaalsContact CE1-CB 3.5Å; Y336-P382 HydrophobicContact CE1-CG 3.52Å; Y336-P382 HydrophobicContact CE2-CB 4.18Å; Y336-P382 VanDerWaalsContact CZ-CB 3.45Å; Y336-P382 WeakPolarHBondContact OH-CB 3.24Å; Y336-P382 VanDerWaalsContact OH-CG 3.31Å; Y336-P382 WeakPolarHBondContact OH-CG 3.29Å
337R91.2Very high86.9Confident134 Ų13463.7 Ų63.751%0.50631%0.308SS..G310 helixtrans-72.9-19.7179.3-160.8176.3-178.8168.90.9112.1G335 P340 P382 P401G335-R337 PolarHBondContact O-N 3.5Å; R337-P340 WeakPolarHBondContact O-CD 3.48Å; R337-P382 WeakPolarHBondContact CA-O 3.31Å; R337-P382 HydrophobicContact CB-CB 4.28Å; R337-P382 WeakPolarHBondContact CB-O 3.4Å; R337-P382 PolarHBondContact N-O 2.75Å; R337-P401 VanDerWaalsContact O-CG 3.27Å; R337-P401 WeakPolarHBondContact O-CG 3.15Å
338L91.9Very high86.4Confident5 Ų557.5 Ų57.53%0.02628%0.281CS..G310 helixtrans-91.2-10.7-179.7-61.3-178000113.4V334 G335 Y336 P340 M341 R384 Y385 A399 P401V334-L338 HydrophobicContact CB-CB 3.94Å; V334-L338 HydrophobicContact CB-CD1 4.25Å; V334-L338 HydrophobicContact CG1-CB 4.49Å; V334-L338 HydrophobicContact CG1-CD1 4.48Å; G335-L338 WeakPolarHBondContact O-CB 3.19Å; G335-L338 PolarHBondContact O-N 3.4Å; Y336-L338 PolarHBondContact O-N 2.86Å; L338-P340 VanDerWaalsContact C-N 3.3Å; L338-M341 HydrophobicContact CD2-SD 3.82Å; L338-M341 WeakPolarHBondContact O-CB 3.36Å; L338-M341 PolarHBondContact O-N 3.07Å; L338-R384 WeakPolarHBondContact CD1-O 3.43Å; L338-Y385 HydrophobicContact CD1-CD1 4.28Å; L338-A399 HydrophobicContact CD2-CB 3.94Å; L338-A399 VanDerWaalsContact CD2-O 3.26Å; L338-A399 WeakPolarHBondContact CD2-O 3.33Å; L338-P401 HydrophobicContact CD2-CG 4.15Å
339I89Confident86.4Confident56 Ų5661 Ų6129%0.28730%0.296SS..Hα-helixtrans-48.7-44.6178.9-65.8172.2000112.4Y336 M341 V342 D343 D376Y336-I339 WeakPolarHBondContact O-CG1 3.45Å; Y336-I339 PolarHBondContact O-N 3.18Å; I339-M341 PolarHBondContact O-N 3.28Å; I339-M341 VanDerWaalsContact O-N 3.08Å; I339-V342 WeakPolarHBondContact O-CG2 3.48Å; I339-V342 PolarHBondContact O-N 3.1Å; I339-D343 WeakPolarHBondContact O-CB 3.2Å; I339-D343 PolarHBondContact O-N 3.05Å; I339-D376 HydrophobicContact CD1-CB 4.31Å; I339-D376 HydrophobicContact CG1-CB 4.44Å
340P87.5Confident86.3Confident60 Ų6058.6 Ų58.639%0.3928%0.279SS..Hα-helixtrans-59.8-24.1178.5-24.935.7000114.3R337 L338R337-P340 WeakPolarHBondContact O-CD 3.48Å; L338-P340 VanDerWaalsContact C-N 3.3Å
341M86.9Confident86.1Confident21 Ų2160.6 Ų60.610%0.10329%0.289CS..Hα-helixtrans-78.8-20.1178.3-62.6173.956.500112.9L338 I339 G348 L350 P401 A451 S452 V455L338-M341 HydrophobicContact CD2-SD 3.82Å; L338-M341 WeakPolarHBondContact O-CB 3.36Å; L338-M341 PolarHBondContact O-N 3.07Å; I339-M341 PolarHBondContact O-N 3.28Å; I339-M341 VanDerWaalsContact O-N 3.08Å; M341-G348 CarbonylContact O-C 3.52Å; M341-G348 VanDerWaalsContact O-C 3.27Å; M341-G348 VanDerWaalsContact O-CA 3.31Å; M341-G348 WeakPolarHBondContact O-CA 3.3Å; M341-L350 HydrophobicContact CB-CB 4.46Å; M341-L350 WeakPolarHBondContact O-CB 3.34Å; M341-L350 PolarHBondContact O-N 3.36Å; M341-P401 HydrophobicContact CG-CB 4.32Å; M341-P401 HydrophobicContact CG-CG 4.21Å; M341-P401 HydrophobicContact SD-CB 4.1Å; M341-P401 HydrophobicContact SD-CG 3.73Å; M341-A451 HydrophobicContact CE-CB 4.17Å; M341-S452 VanDerWaalsContact CE-N 3.34Å; M341-V455 HydrophobicContact CE-CG2 4.47Å
342V86Confident85.9Confident22 Ų2262.2 Ų62.213%0.13331%0.306CS..Hα-helixtrans-119-2.5-174.3-63.30000114.1M332 V334 I339 L350 L351 I374M332-V342 HydrophobicContact CE-CG1 4.03Å; V334-V342 HydrophobicContact CG1-CG1 4.33Å; V334-V342 HydrophobicContact CG2-CG2 3.87Å; I339-V342 WeakPolarHBondContact O-CG2 3.48Å; I339-V342 PolarHBondContact O-N 3.1Å; V342-L350 HydrophobicContact CG1-CB 4.32Å; V342-L350 HydrophobicContact CG1-CD2 3.75Å; V342-L350 HydrophobicContact CG1-CG 4.39Å; V342-L351 WeakPolarHBondContact O-CD1 3.34Å; V342-I374 HydrophobicContact CB-CD1 4.36Å; V342-I374 HydrophobicContact CB-CG2 3.99Å; V342-I374 HydrophobicContact CG1-CD1 4.16Å; V342-I374 HydrophobicContact CG1-CG2 3.99Å; V342-I374 HydrophobicContact CG2-CG2 4.11Å
343D81.9Confident85.7Confident42 Ų4265.9 Ų65.923%0.22532%0.32CS..  trans-78.8122179.3-174.4-2.4000111I339 Q345 Q346 G348I339-D343 WeakPolarHBondContact O-CB 3.2Å; I339-D343 PolarHBondContact O-N 3.05Å; D343-Q345 VanDerWaalsContact C-N 3.27Å; D343-Q345 PolarHBondContact O-N 3.37Å; D343-Q345 PolarHBondContact OD1-N 3.37Å; D343-Q346 HydrophobicContact CB-CB 4.15Å; D343-Q346 HydrophobicContact CB-CG 4.21Å; D343-Q346 PolarHBondContact O-N 2.92Å; D343-Q346 WeakPolarHBondContact OD2-CG 3.33Å; D343-Q346 PolarHBondContact OD2-NE2 2.98Å; D343-G348 PolarHBondContact O-N 2.9Å
344F76.2Confident85.6Confident166 Ų16665.1 Ų65.173%0.72832%0.316SS*.G310 helixtrans-64-31.7177.3-174.5-95.7000112.4Q346 D347 L351F344-Q346 VanDerWaalsContact C-N 3.28Å; F344-Q346 PolarHBondContact O-N 3.38Å; F344-D347 PolarHBondContact O-N 3.13Å; F344-L351 HydrophobicContact CB-CD1 4Å; F344-L351 HydrophobicContact CD2-CD1 4.17Å
345Q74.1Confident85.4Confident181 Ų18173.3 Ų73.385%0.84635%0.347SS*.G310 helixtrans-73.3-22.4179.4-62.8-172.4-6.900112.7D343D343-Q345 VanDerWaalsContact C-N 3.27Å; D343-Q345 PolarHBondContact O-N 3.37Å; D343-Q345 PolarHBondContact OD1-N 3.37Å
346Q71.8Confident85.4Confident113 Ų11377 Ų7753%0.52837%0.373SS..G310 helixtrans-100.713.9-179.8-62.5179.14700112.9D343 F344 G348D343-Q346 HydrophobicContact CB-CB 4.15Å; D343-Q346 HydrophobicContact CB-CG 4.21Å; D343-Q346 PolarHBondContact O-N 2.92Å; D343-Q346 WeakPolarHBondContact OD2-CG 3.33Å; D343-Q346 PolarHBondContact OD2-NE2 2.98Å; F344-Q346 VanDerWaalsContact C-N 3.28Å; F344-Q346 PolarHBondContact O-N 3.38Å; Q346-G348 VanDerWaalsContact C-N 3.29Å; Q346-G348 PolarHBondContact O-N 2.99Å
347D70Confident85.5Confident147 Ų14772 Ų7279%0.78635%0.354SS*.THydrogen-bonded Turntrans5444.5-174.8-156.322.9000112.5F344 E349F344-D347 PolarHBondContact O-N 3.13Å; D347-E349 PolarHBondContact O-N 3.49Å
348G75.5Confident85.7Confident5 Ų568 Ų685%0.05234%0.339CS..  trans-52.7108.8-176.100000112.7M341 D343 Q346 L350 L351M341-G348 CarbonylContact O-C 3.52Å; M341-G348 VanDerWaalsContact O-C 3.27Å; M341-G348 VanDerWaalsContact O-CA 3.31Å; M341-G348 WeakPolarHBondContact O-CA 3.3Å; D343-G348 PolarHBondContact O-N 2.9Å; Q346-G348 VanDerWaalsContact C-N 3.29Å; Q346-G348 PolarHBondContact O-N 2.99Å; G348-L350 PolarHBondContact O-N 2.78Å; G348-L351 WeakPolarHBondContact O-CB 3.42Å; G348-L351 PolarHBondContact O-N 3.18Å
349E84.2Confident85.8Confident106 Ų10674.3 Ų74.350%0.49537%0.367SS..Hα-helixtrans-54.2-31.9-174.2-65.4-177.6175.300113.5D347 L351 G352 R353 S452D347-E349 PolarHBondContact O-N 3.49Å; E349-L351 VanDerWaalsContact C-N 3.29Å; E349-L351 PolarHBondContact O-N 3.36Å; E349-G352 PolarHBondContact O-N 2.85Å; E349-R353 WeakPolarHBondContact O-CG 3.22Å; E349-R353 PolarHBondContact O-N 2.98Å; E349-R353 VanDerWaalsContact O-N 3.14Å; E349-R353 IonicContact OE2-NH2 2.86Å; E349-S452 PolarHBondContact OE2-OG 2.87Å
350L88.3Confident86Confident4 Ų476.7 Ų76.72%0.02138%0.375CS..Hα-helixtrans-65.3-34.1-177.6-172.455.3000111.3M332 M341 V342 G348 G352 R353 I354 S452 V455 A456M332-L350 HydrophobicContact CE-CD2 3.76Å; M332-L350 HydrophobicContact CE-CG 4.48Å; M332-L350 HydrophobicContact SD-CD2 4.35Å; M341-L350 HydrophobicContact CB-CB 4.46Å; M341-L350 WeakPolarHBondContact O-CB 3.34Å; M341-L350 PolarHBondContact O-N 3.36Å; V342-L350 HydrophobicContact CG1-CB 4.32Å; V342-L350 HydrophobicContact CG1-CD2 3.75Å; V342-L350 HydrophobicContact CG1-CG 4.39Å; G348-L350 PolarHBondContact O-N 2.78Å; L350-G352 PolarHBondContact O-N 3.29Å; L350-R353 PolarHBondContact O-N 3.42Å; L350-I354 HydrophobicContact CD1-CD1 4.41Å; L350-I354 HydrophobicContact CD1-CG1 4.29Å; L350-I354 HydrophobicContact CG-CD1 3.94Å; L350-I354 HydrophobicContact CG-CG1 4.29Å; L350-I354 VanDerWaalsContact O-CG1 3.24Å; L350-I354 WeakPolarHBondContact O-CG1 3.43Å; L350-I354 PolarHBondContact O-N 2.94Å; L350-S452 WeakPolarHBondContact CD1-O 3.26Å; L350-V455 HydrophobicContact CD1-CB 4.08Å; L350-V455 HydrophobicContact CD1-CG1 4.14Å; L350-V455 HydrophobicContact CD2-CB 4.13Å; L350-V455 HydrophobicContact CD2-CG1 3.71Å; L350-A456 HydrophobicContact CD1-CB 3.96Å
351L89.5Confident86.4Confident44 Ų4473.9 Ų73.923%0.2336%0.357CS..Hα-helixtrans-61.6-45.3177.7-62.5-179.3000111.8V342 F344 G348 E349 R353 I354 R355 I374V342-L351 WeakPolarHBondContact O-CD1 3.34Å; F344-L351 HydrophobicContact CB-CD1 4Å; F344-L351 HydrophobicContact CD2-CD1 4.17Å; G348-L351 WeakPolarHBondContact O-CB 3.42Å; G348-L351 PolarHBondContact O-N 3.18Å; E349-L351 VanDerWaalsContact C-N 3.29Å; E349-L351 PolarHBondContact O-N 3.36Å; L351-R353 VanDerWaalsContact C-N 3.34Å; L351-I354 PolarHBondContact O-N 3.45Å; L351-R355 PolarHBondContact O-N 3.23Å; L351-R355 VanDerWaalsContact O-N 3.1Å; L351-I374 HydrophobicContact CD2-CD1 3.5Å
352G88.7Confident86.8Confident40 Ų4074.1 Ų74.141%0.41236%0.362SS..Hα-helixtrans-64.1-38.9176.500000112.3E349 L350 R355 S356E349-G352 PolarHBondContact O-N 2.85Å; L350-G352 PolarHBondContact O-N 3.29Å; G352-R355 PolarHBondContact O-N 3.08Å; G352-S356 PolarHBondContact O-N 3.3Å; G352-S356 PolarHBondContact O-OG 3.32Å
353R91Very high87.2Confident79 Ų7978.5 Ų78.530%0.29838%0.381SS..Hα-helixtrans-67.6-43.8176.3-67.7176.5-169.6-79.95112.1E349 L350 L351 R355 S356 I357 E450 S452 T453 A456E349-R353 WeakPolarHBondContact O-CG 3.22Å; E349-R353 PolarHBondContact O-N 2.98Å; E349-R353 VanDerWaalsContact O-N 3.14Å; E349-R353 IonicContact OE2-NH2 2.86Å; L350-R353 PolarHBondContact O-N 3.42Å; L351-R353 VanDerWaalsContact C-N 3.34Å; R353-R355 VanDerWaalsContact C-N 3.31Å; R353-R355 PolarHBondContact O-N 3.01Å; R353-S356 WeakPolarHBondContact O-CB 3.32Å; R353-S356 PolarHBondContact O-N 2.97Å; R353-S356 VanDerWaalsContact O-N 3.12Å; R353-I357 WeakPolarHBondContact O-CG1 3.41Å; R353-I357 PolarHBondContact O-N 2.85Å; R353-E450 IonicContact NH2-OE2 3.52Å; R353-E450 PolarHBondContact NH2-OE2 2.99Å; R353-S452 PolarHBondContact NE-OG 3.17Å; R353-T453 PolarHBondContact NH1-OG1 3.48Å; R353-T453 VanDerWaalsContact NH1-OG1 3.08Å; R353-A456 HydrophobicContact CB-CB 3.93Å
354I93.2Very high87.8Confident13 Ų1380.7 Ų80.77%0.06739%0.39CS..Hα-helixtrans-58.7-44.2175.5-69.6168.8000110.5M332 L350 L351 S356 I357 R358 V372 I374 L459M332-I354 HydrophobicContact CE-CD1 3.91Å; L350-I354 HydrophobicContact CD1-CD1 4.41Å; L350-I354 HydrophobicContact CD1-CG1 4.29Å; L350-I354 HydrophobicContact CG-CD1 3.94Å; L350-I354 HydrophobicContact CG-CG1 4.29Å; L350-I354 VanDerWaalsContact O-CG1 3.24Å; L350-I354 WeakPolarHBondContact O-CG1 3.43Å; L350-I354 PolarHBondContact O-N 2.94Å; L351-I354 PolarHBondContact O-N 3.45Å; I354-S356 VanDerWaalsContact C-N 3.31Å; I354-S356 PolarHBondContact O-N 3.22Å; I354-I357 PolarHBondContact O-N 3.46Å; I354-R358 WeakPolarHBondContact O-CG 3.32Å; I354-R358 PolarHBondContact O-N 2.94Å; I354-V372 HydrophobicContact CG2-CB 4.21Å; I354-V372 HydrophobicContact CG2-CG2 3.95Å; I354-I374 HydrophobicContact CD1-CD1 3.72Å; I354-L459 HydrophobicContact CD1-CD2 4.26Å; I354-L459 HydrophobicContact CG1-CD2 3.76Å; I354-L459 HydrophobicContact CG2-CD2 4.33Å
355R91.7Very high88.6Confident175 Ų17574 Ų7466%0.6636%0.361SS*.Hα-helixtrans-60.1-42.5176-168.3-176.8-59.7-178.82.3111.8L351 G352 R353 R358 K359L351-R355 PolarHBondContact O-N 3.23Å; L351-R355 VanDerWaalsContact O-N 3.1Å; G352-R355 PolarHBondContact O-N 3.08Å; R353-R355 VanDerWaalsContact C-N 3.31Å; R353-R355 PolarHBondContact O-N 3.01Å; R355-R358 PolarHBondContact O-N 2.85Å; R355-K359 PolarHBondContact O-N 2.84Å; R355-K359 VanDerWaalsContact O-N 3.08Å
356S92.9Very high89.6Confident77 Ų7766.1 Ų66.154%0.53833%0.328SS..Hα-helixtrans-66.6-41178.7-58.20000112.1G352 R353 I354 K359 K360G352-S356 PolarHBondContact O-N 3.3Å; G352-S356 PolarHBondContact O-OG 3.32Å; R353-S356 WeakPolarHBondContact O-CB 3.32Å; R353-S356 PolarHBondContact O-N 2.97Å; R353-S356 VanDerWaalsContact O-N 3.12Å; I354-S356 VanDerWaalsContact C-N 3.31Å; I354-S356 PolarHBondContact O-N 3.22Å; S356-K359 PolarHBondContact O-N 3.08Å; S356-K360 WeakPolarHBondContact O-CB 3.27Å; S356-K360 PolarHBondContact O-N 2.84Å
357I94.1Very high90.7Very high21 Ų2161.2 Ų61.211%0.10831%0.305CS..Hα-helixtrans-60.4-51174.1-76.3162.3000110.7R353 I354 K359 K360 F361 A456 N460 I463R353-I357 WeakPolarHBondContact O-CG1 3.41Å; R353-I357 PolarHBondContact O-N 2.85Å; I354-I357 PolarHBondContact O-N 3.46Å; I357-K359 VanDerWaalsContact C-N 3.26Å; I357-K359 PolarHBondContact O-N 3.21Å; I357-K360 PolarHBondContact O-N 3.4Å; I357-F361 VanDerWaalsContact O-CB 3.27Å; I357-F361 WeakPolarHBondContact O-CB 3.43Å; I357-F361 PolarHBondContact O-N 3.48Å; I357-A456 HydrophobicContact CD1-CB 3.56Å; I357-A456 WeakPolarHBondContact CD1-O 3.37Å; I357-N460 HydrophobicContact CD1-CB 4.15Å; I357-N460 HydrophobicContact CG1-CB 4.2Å; I357-N460 HydrophobicContact CG2-CB 3.8Å; I357-N460 WeakPolarHBondContact CG2-OD1 3.32Å; I357-I463 HydrophobicContact CG2-CD1 4.4Å
358R94.4Very high91.8Very high50 Ų5058.7 Ų58.719%0.18929%0.291CS..Hα-helixtrans-57.5-41.8178.8-71.8178.768.1-143.1-1.6111.6I354 R355 A362 L368 P369 P370I354-R358 WeakPolarHBondContact O-CG 3.32Å; I354-R358 PolarHBondContact O-N 2.94Å; R355-R358 PolarHBondContact O-N 2.85Å; R358-A362 WeakPolarHBondContact O-CB 3.37Å; R358-A362 PolarHBondContact O-N 3.32Å; R358-L368 HydrophobicContact CB-CD1 4.37Å; R358-P369 PolarHBondContact NE-O 3.2Å; R358-P369 PolarHBondContact NH2-O 3.2Å; R358-P370 PolarHBondContact NE-O 2.86Å
359K94.6Very high92.6Very high138 Ų13858.5 Ų58.560%0.629%0.289SS*.Hα-helixtrans-64.8-47.9176.7-173.5178.5-179.7-178.70111.9R355 S356 I357 A362 Q363R355-K359 PolarHBondContact O-N 2.84Å; R355-K359 VanDerWaalsContact O-N 3.08Å; S356-K359 PolarHBondContact O-N 3.08Å; I357-K359 VanDerWaalsContact C-N 3.26Å; I357-K359 PolarHBondContact O-N 3.21Å; K359-A362 PolarHBondContact O-N 2.93Å; K359-Q363 VanDerWaalsContact O-CG 3.3Å; K359-Q363 WeakPolarHBondContact O-CG 3.41Å; K359-Q363 PolarHBondContact O-N 3.48Å
360K94.6Very high93Very high107 Ų10754.3 Ų54.347%0.46527%0.271SS..Hα-helixtrans-62-48.1178.8-178.8179.2172.9-177.50111S356 I357 A362 Q363 E364S356-K360 WeakPolarHBondContact O-CB 3.27Å; S356-K360 PolarHBondContact O-N 2.84Å; I357-K360 PolarHBondContact O-N 3.4Å; K360-A362 VanDerWaalsContact C-N 3.32Å; K360-A362 PolarHBondContact O-N 2.86Å; K360-Q363 WeakPolarHBondContact O-CB 3.36Å; K360-Q363 PolarHBondContact O-N 2.64Å; K360-Q363 VanDerWaalsContact O-N 3.1Å; K360-E364 WeakPolarHBondContact CE-OE1 3.26Å; K360-E364 HydrophobicContact CG-CG 4.46Å; K360-E364 IonicContact NZ-OE1 3.61Å; K360-E364 WeakPolarHBondContact O-CG 3.42Å; K360-E364 PolarHBondContact O-N 3.33Å
361F94.8Very high93.1Very high1 Ų157.9 Ų57.90%0.00429%0.293CS..Hα-helixtrans-57.5-45176.5-175.9-84.4000111.7I357 Q363 E364 M365 F367 P369 I463 A467I357-F361 VanDerWaalsContact O-CB 3.27Å; I357-F361 WeakPolarHBondContact O-CB 3.43Å; I357-F361 PolarHBondContact O-N 3.48Å; F361-Q363 VanDerWaalsContact C-N 3.29Å; F361-Q363 PolarHBondContact O-N 3.24Å; F361-E364 PolarHBondContact O-N 3.5Å; F361-E364 VanDerWaalsContact O-N 3.12Å; F361-M365 HydrophobicContact CD1-CB 4.25Å; F361-M365 HydrophobicContact CD1-CG 4.42Å; F361-M365 HydrophobicContact CD2-CG 4.16Å; F361-M365 HydrophobicContact CE1-CB 3.81Å; F361-M365 HydrophobicContact CE1-CG 3.98Å; F361-M365 HydrophobicContact CE2-CB 4.38Å; F361-M365 HydrophobicContact CE2-CG 3.64Å; F361-M365 HydrophobicContact CZ-CB 3.9Å; F361-M365 HydrophobicContact CZ-CG 3.58Å; F361-M365 PolarHBondContact O-N 2.99Å; F361-F367 HydrophobicContact CE1-CD1 4.16Å; F361-F367 AromaticContact CE1-CE1 3.55Å; F361-F367 HydrophobicContact CE1-CE1 3.55Å; F361-F367 HydrophobicContact CE1-CE2 4.33Å; F361-F367 AromaticContact CE1-CZ 3.66Å; F361-F367 HydrophobicContact CE1-CZ 3.66Å; F361-F367 AromaticContact CZ-CE1 3.99Å; F361-F367 HydrophobicContact CZ-CE1 3.99Å; F361-F367 HydrophobicContact CZ-CZ 4.13Å; F361-P369 HydrophobicContact CB-CG 4.3Å; F361-P369 HydrophobicContact CD1-CG 3.2Å; F361-P369 HydrophobicContact CE1-CG 3.64Å; F361-P369 HydrophobicContact CG-CG 3.89Å; F361-I463 HydrophobicContact CD1-CG2 4.29Å; F361-I463 HydrophobicContact CD2-CG2 3.75Å; F361-I463 HydrophobicContact CE1-CG2 4.18Å; F361-I463 HydrophobicContact CE2-CG2 3.67Å; F361-I463 HydrophobicContact CG-CG2 4.05Å; F361-I463 HydrophobicContact CZ-CG2 3.86Å; F361-A467 HydrophobicContact CZ-CB 3.86Å
362A95.3Very high93.3Very high26 Ų2656.3 Ų56.322%0.21529%0.285CS..Hα-helixtrans-61.9-38176.900000112.7R358 K359 K360 E364 G366 F367 L368R358-A362 WeakPolarHBondContact O-CB 3.37Å; R358-A362 PolarHBondContact O-N 3.32Å; K359-A362 PolarHBondContact O-N 2.93Å; K360-A362 VanDerWaalsContact C-N 3.32Å; K360-A362 PolarHBondContact O-N 2.86Å; A362-E364 VanDerWaalsContact C-N 3.33Å; A362-G366 WeakPolarHBondContact O-CA 3.37Å; A362-G366 PolarHBondContact O-N 3.33Å; A362-F367 WeakPolarHBondContact CA-O 3.43Å; A362-F367 WeakPolarHBondContact CB-O 3.37Å; A362-L368 HydrophobicContact CB-CD1 4.15Å
363Q95Very high93.4Very high114 Ų11458.5 Ų58.553%0.53328%0.284SS..Hα-helixtrans-69.6-29.5175.3-70.9174.2-20.900113K359 K360 F361 R519K359-Q363 VanDerWaalsContact O-CG 3.3Å; K359-Q363 WeakPolarHBondContact O-CG 3.41Å; K359-Q363 PolarHBondContact O-N 3.48Å; K360-Q363 WeakPolarHBondContact O-CB 3.36Å; K360-Q363 PolarHBondContact O-N 2.64Å; K360-Q363 VanDerWaalsContact O-N 3.1Å; F361-Q363 VanDerWaalsContact C-N 3.29Å; F361-Q363 PolarHBondContact O-N 3.24Å; Q363-R519 WeakPolarHBondContact O-CD 3.42Å; Q363-R519 PolarHBondContact O-NE 3.01Å; Q363-R519 PolarHBondContact O-NH1 2.96Å
364E93.2Very high93.5Very high87 Ų8757.1 Ų57.141%0.40728%0.283SS..Hα-helixtrans-86.1-46-178.7-73.7176.3171.100112.3K360 F361 A362 P517 R519K360-E364 WeakPolarHBondContact CE-OE1 3.26Å; K360-E364 HydrophobicContact CG-CG 4.46Å; K360-E364 IonicContact NZ-OE1 3.61Å; K360-E364 WeakPolarHBondContact O-CG 3.42Å; K360-E364 PolarHBondContact O-N 3.33Å; F361-E364 PolarHBondContact O-N 3.5Å; F361-E364 VanDerWaalsContact O-N 3.12Å; A362-E364 VanDerWaalsContact C-N 3.33Å; E364-P517 WeakPolarHBondContact O-CB 3.45Å; E364-R519 WeakPolarHBondContact O-CD 3.24Å
365M94.2Very high93.3Very high27 Ų2762.1 Ų62.113%0.13330%0.301CS..Hα-helixtrans-99.5-22.2-173-66.4-58.7-6600114.6F361 L512 P517 I518F361-M365 HydrophobicContact CD1-CB 4.25Å; F361-M365 HydrophobicContact CD1-CG 4.42Å; F361-M365 HydrophobicContact CD2-CG 4.16Å; F361-M365 HydrophobicContact CE1-CB 3.81Å; F361-M365 HydrophobicContact CE1-CG 3.98Å; F361-M365 HydrophobicContact CE2-CB 4.38Å; F361-M365 HydrophobicContact CE2-CG 3.64Å; F361-M365 HydrophobicContact CZ-CB 3.9Å; F361-M365 HydrophobicContact CZ-CG 3.58Å; F361-M365 PolarHBondContact O-N 2.99Å; M365-L512 HydrophobicContact CE-CD2 3.54Å; M365-P517 HydrophobicContact SD-CG 4.26Å; M365-I518 WeakPolarHBondContact O-CG1 3.35Å; M365-I518 PolarHBondContact O-N 2.9Å
366G94.5Very high93.3Very high15 Ų1558.9 Ų58.916%0.15530%0.296CS..SBendtrans96.16.5174.900000116.5A362 R519A362-G366 WeakPolarHBondContact O-CA 3.37Å; A362-G366 PolarHBondContact O-N 3.33Å; G366-R519 VanDerWaalsContact CA-CG 3.48Å
367F94.9Very high93.1Very high9 Ų956.6 Ų56.64%0.03928%0.278CS..SBendtrans-139.6155.2169.179.9-83.9000111.6F361 A362 P369 A467 F471 L512 I518F361-F367 HydrophobicContact CE1-CD1 4.16Å; F361-F367 AromaticContact CE1-CE1 3.55Å; F361-F367 HydrophobicContact CE1-CE1 3.55Å; F361-F367 HydrophobicContact CE1-CE2 4.33Å; F361-F367 AromaticContact CE1-CZ 3.66Å; F361-F367 HydrophobicContact CE1-CZ 3.66Å; F361-F367 AromaticContact CZ-CE1 3.99Å; F361-F367 HydrophobicContact CZ-CE1 3.99Å; F361-F367 HydrophobicContact CZ-CZ 4.13Å; A362-F367 WeakPolarHBondContact CA-O 3.43Å; A362-F367 WeakPolarHBondContact CB-O 3.37Å; F367-P369 WeakPolarHBondContact O-CD 3.46Å; F367-A467 HydrophobicContact CE1-CB 4.42Å; F367-A467 HydrophobicContact CZ-CB 4.48Å; F367-F471 HydrophobicContact CB-CD2 3.93Å; F367-F471 HydrophobicContact CB-CE2 3.7Å; F367-F471 AromaticContact CD1-CD2 3.89Å; F367-F471 HydrophobicContact CD1-CD2 3.89Å; F367-F471 HydrophobicContact CD1-CE2 4.38Å; F367-F471 AromaticContact CD2-CD2 3.56Å; F367-F471 HydrophobicContact CD2-CD2 3.56Å; F367-F471 HydrophobicContact CD2-CE2 4.17Å; F367-F471 HydrophobicContact CE1-CD2 4.24Å; F367-F471 HydrophobicContact CE2-CB 4.31Å; F367-F471 AromaticContact CE2-CD2 3.93Å; F367-F471 HydrophobicContact CE2-CD2 3.93Å; F367-F471 AromaticContact CG-CD2 3.51Å; F367-F471 HydrophobicContact CG-CD2 3.51Å; F367-F471 AromaticContact CG-CE2 3.84Å; F367-F471 HydrophobicContact CG-CE2 3.84Å; F367-F471 HydrophobicContact CZ-CB 4.17Å; F367-F471 HydrophobicContact CZ-CD2 4.26Å; F367-L512 HydrophobicContact CD1-CD1 3.78Å; F367-L512 HydrophobicContact CD1-CD2 4.03Å; F367-L512 HydrophobicContact CE1-CD1 3.51Å; F367-L512 HydrophobicContact CE1-CD2 3.84Å; F367-L512 HydrophobicContact CE1-CG 4.32Å; F367-L512 HydrophobicContact CZ-CD1 4.27Å; F367-I518 HydrophobicContact CB-CD1 4.33Å; F367-I518 HydrophobicContact CD1-CD1 4.31Å
368L93.8Very high92.7Very high95 Ų9562 Ų6250%0.49731%0.305SS..PPolyproline II helixtrans-86.8119178.4-176.564.1000110.1R358 A362R358-L368 HydrophobicContact CB-CD1 4.37Å; A362-L368 HydrophobicContact CB-CD1 4.15Å
369P92.1Very high92.5Very high1 Ų167 Ų671%0.00634%0.335CS..PPolyproline II helixtrans-61.7151.9175.6-23.735.1000111.6R358 F361 F367 I463R358-P369 PolarHBondContact NE-O 3.2Å; R358-P369 PolarHBondContact NH2-O 3.2Å; F361-P369 HydrophobicContact CB-CG 4.3Å; F361-P369 HydrophobicContact CD1-CG 3.2Å; F361-P369 HydrophobicContact CE1-CG 3.64Å; F361-P369 HydrophobicContact CG-CG 3.89Å; F367-P369 WeakPolarHBondContact O-CD 3.46Å; P369-I463 HydrophobicContact CB-CG2 4.26Å; P369-I463 HydrophobicContact CG-CG2 3.97Å
370P92Very high92.3Very high18 Ų1861.5 Ų61.512%0.11731%0.312CS..PPolyproline II helixtrans-50.5158.3172.4-27.335.1000112.9R358 L470R358-P370 PolarHBondContact NE-O 2.86Å; P370-L470 HydrophobicContact CG-CD2 4.48Å
371V91.7Very high92.3Very high78 Ų7862.3 Ų62.347%0.47332%0.317SS..PPolyproline II helixtrans-65.6137.2174.6-178.40000108.7H373V371-H373 PolarHBondContact O-N 3.35Å
372V93Very high92.2Very high12 Ų1264 Ų647%0.07333%0.329CS..EExtended strand (participates in β ladder)trans-85.4108.7175.3-176.20000107.6L330 M332 I354 I374 L459L330-V372 HydrophobicContact CD2-CG2 3.63Å; L330-V372 HydrophobicContact CG-CG2 4.08Å; L330-V372 WeakPolarHBondContact O-CA 3.32Å; M332-V372 HydrophobicContact CB-CG1 3.91Å; I354-V372 HydrophobicContact CG2-CB 4.21Å; I354-V372 HydrophobicContact CG2-CG2 3.95Å; V372-I374 HydrophobicContact CG1-CG1 4.35Å; V372-I374 PolarHBondContact O-N 3.21Å; V372-L459 HydrophobicContact CG2-CD2 4.22Å
373H91.5Very high92.1Very high85 Ų8563.2 Ų63.239%0.39432%0.322SS..EExtended strand (participates in β ladder)trans-80.1115.1176.2-73-88000110D328 L330 G331 M332 V371D328-H373 HydrophobicContact CB-CB 4.12Å; D328-H373 VanDerWaalsContact CG-CD2 3.46Å; D328-H373 VanDerWaalsContact CG-CG 3.45Å; D328-H373 IonicContact OD1-CD2 3.29Å; D328-H373 PolarHBondContact OD1-CD2 3.1Å; D328-H373 IonicContact OD1-CE1 2.7Å; D328-H373 IonicContact OD1-CG 3.1Å; D328-H373 IonicContact OD1-ND1 3.24Å; D328-H373 IonicContact OD1-NE2 3.91Å; D328-H373 VanDerWaalsContact OD2-CB 3.23Å; D328-H373 WeakPolarHBondContact OD2-CB 3.26Å; D328-H373 IonicContact OD2-CD2 2.73Å; D328-H373 IonicContact OD2-CG 3.41Å; L330-H373 PolarHBondContact O-N 2.88Å; G331-H373 CarbonylContact C-O 3.6Å; G331-H373 VanDerWaalsContact CA-O 3.29Å; G331-H373 WeakPolarHBondContact CA-O 2.96Å; M332-H373 PolarHBondContact N-O 3.05Å; V371-H373 PolarHBondContact O-N 3.35Å
374I91.8Very high92.1Very high51 Ų5162.3 Ų62.326%0.26231%0.314SS..EExtended strand (participates in β ladder)trans-98.4125.7-178-50.3177.8000109M332 V334 V342 L351 I354 V372M332-I374 HydrophobicContact CB-CG1 4.45Å; M332-I374 HydrophobicContact CE-CB 4.44Å; M332-I374 HydrophobicContact CE-CD1 3.58Å; M332-I374 HydrophobicContact CE-CG1 3.75Å; M332-I374 HydrophobicContact CE-CG2 3.89Å; M332-I374 CarbonylContact O-C 3.58Å; M332-I374 VanDerWaalsContact O-CA 3.24Å; M332-I374 WeakPolarHBondContact O-CA 3.16Å; V334-I374 HydrophobicContact CG1-CG2 4.32Å; V334-I374 HydrophobicContact CG2-CG2 4.47Å; V342-I374 HydrophobicContact CB-CD1 4.36Å; V342-I374 HydrophobicContact CB-CG2 3.99Å; V342-I374 HydrophobicContact CG1-CD1 4.16Å; V342-I374 HydrophobicContact CG1-CG2 3.99Å; V342-I374 HydrophobicContact CG2-CG2 4.11Å; L351-I374 HydrophobicContact CD2-CD1 3.5Å; I354-I374 HydrophobicContact CD1-CD1 3.72Å; V372-I374 HydrophobicContact CG1-CG1 4.35Å; V372-I374 PolarHBondContact O-N 3.21Å
375R90.2Very high92.2Very high118 Ų11858.2 Ų58.245%0.44529%0.294SS..EExtended strand (participates in β ladder)trans-128.4145.4177.7-58.2-177.1-171.3-169.12.2110.1D328 M332 E333 V334D328-R375 IonicContact OD2-CZ 3.48Å; D328-R375 IonicContact OD2-NE 2.82Å; D328-R375 IonicContact OD2-NH2 3.64Å; D328-R375 PolarHBondContact OD2-NH2 3.18Å; M332-R375 PolarHBondContact O-N 3.46Å; E333-R375 VanDerWaalsContact CA-O 3.25Å; E333-R375 WeakPolarHBondContact CA-O 3.41Å; E333-R375 HydrophobicContact CG-CB 4.44Å; V334-R375 PolarHBondContact N-O 3.16Å
376D89.8Confident92.3Very high106 Ų10660.1 Ų60.157%0.56730%0.3SS*.EExtended strand (participates in β ladder)trans-78.214116658.9-42.9000109.9V334 I339V334-D376 WeakPolarHBondContact O-CA 3.24Å; I339-D376 HydrophobicContact CD1-CB 4.31Å; I339-D376 HydrophobicContact CG1-CB 4.44Å
377N90Very high92.4Very high29 Ų2959.4 Ų59.416%0.15529%0.293CS..  trans-132.4114.3173.4-176.7-8.3000109.7E333 V334 D379 L380 R386E333-N377 HydrophobicContact CB-CB 4.23Å; E333-N377 HydrophobicContact CG-CB 4.46Å; E333-N377 WeakPolarHBondContact OE2-CB 3.42Å; E333-N377 PolarHBondContact OE2-ND2 2.99Å; V334-N377 PolarHBondContact O-N 2.97Å; N377-D379 PolarHBondContact O-N 3.42Å; N377-D379 WeakPolarHBondContact OD1-CB 3.34Å; N377-D379 PolarHBondContact OD1-N 3.26Å; N377-L380 HydrophobicContact CB-CD1 3.81Å; N377-L380 HydrophobicContact CB-CG 4.1Å; N377-L380 WeakPolarHBondContact O-CB 3.44Å; N377-L380 PolarHBondContact O-N 2.98Å; N377-R386 PolarHBondContact ND2-NH2 3.45Å
378M86.3Confident92.5Very high136 Ų13659.8 Ų59.867%0.6730%0.295SS*.THydrogen-bonded Turntrans-73.1-16.3-178.3-63.3-63.3-76.500113.1L380M378-L380 VanDerWaalsContact C-N 3.34Å
379D89.6Confident92.5Very high153 Ų15355.9 Ų55.982%0.81828%0.275SS*.THydrogen-bonded Turntrans-81.5-15.2174.6-60.5-33.9000112.2N377N377-D379 PolarHBondContact O-N 3.42Å; N377-D379 WeakPolarHBondContact OD1-CB 3.34Å; N377-D379 PolarHBondContact OD1-N 3.26Å
380L90.8Very high92.5Very high24 Ų2461.3 Ų61.313%0.12630%0.298CS..SBendtrans-74.3148.7172.9-78.2169.1000111.3E333 N377 M378 R384 R386E333-L380 HydrophobicContact CB-CD1 3.7Å; N377-L380 HydrophobicContact CB-CD1 3.81Å; N377-L380 HydrophobicContact CB-CG 4.1Å; N377-L380 WeakPolarHBondContact O-CB 3.44Å; N377-L380 PolarHBondContact O-N 2.98Å; M378-L380 VanDerWaalsContact C-N 3.34Å; L380-R384 HydrophobicContact CD2-CG 4.23Å; L380-R386 HydrophobicContact CD1-CG 4.06Å; L380-R386 HydrophobicContact CD2-CG 4.29Å
381Q93.5Very high92.4Very high123 Ų12362 Ų6258%0.57531%0.309SS*.  trans-57.2148.5170.3-72.3-61.3-46.500110.9A383 R384Q381-A383 VanDerWaalsContact C-N 3.28Å; Q381-A383 PolarHBondContact O-N 3.46Å; Q381-R384 HydrophobicContact CB-CB 3.89Å; Q381-R384 WeakPolarHBondContact O-CB 3.27Å; Q381-R384 PolarHBondContact O-N 3.03Å
382P92.1Very high92.5Very high37 Ų3762.9 Ų62.924%0.2431%0.314CS..THydrogen-bonded Turntrans-50-43.7-169.1-28.931.8000115.2G335 Y336 R337G335-P382 CarbonylContact C-O 3.55Å; Y336-P382 HydrophobicContact CD1-CB 4.24Å; Y336-P382 HydrophobicContact CE1-CB 3.5Å; Y336-P382 VanDerWaalsContact CE1-CB 3.5Å; Y336-P382 HydrophobicContact CE1-CG 3.52Å; Y336-P382 HydrophobicContact CE2-CB 4.18Å; Y336-P382 VanDerWaalsContact CZ-CB 3.45Å; Y336-P382 WeakPolarHBondContact OH-CB 3.24Å; Y336-P382 VanDerWaalsContact OH-CG 3.31Å; Y336-P382 WeakPolarHBondContact OH-CG 3.29Å; R337-P382 WeakPolarHBondContact CA-O 3.31Å; R337-P382 HydrophobicContact CB-CB 4.28Å; R337-P382 WeakPolarHBondContact CB-O 3.4Å; R337-P382 PolarHBondContact N-O 2.75Å
383A93.3Very high92.6Very high9 Ų966.7 Ų66.77%0.07433%0.331CS..THydrogen-bonded Turntrans-101.58.1-174.200000113.2Q381 D398 A399 Y400Q381-A383 VanDerWaalsContact C-N 3.28Å; Q381-A383 PolarHBondContact O-N 3.46Å; A383-D398 CarbonylContact O-C 3.48Å; A383-D398 WeakPolarHBondContact O-CA 3.23Å; A383-A399 WeakPolarHBondContact CB-O 3.37Å; A383-A399 PolarHBondContact O-N 3.09Å; A383-Y400 HydrophobicContact CB-CD1 3.72Å; A383-Y400 HydrophobicContact CB-CE1 3.51Å
384R95.6Very high92.7Very high95 Ų9564.4 Ų64.436%0.35832%0.322SS..EExtended strand (participates in β ladder)trans-95.2143.6-174.4-174158.9-72.6-163.1-8.2111.5G335 L338 L380 Q381 G397 D398G335-R384 PolarHBondContact N-O 3.37Å; L338-R384 WeakPolarHBondContact CD1-O 3.43Å; L380-R384 HydrophobicContact CD2-CG 4.23Å; Q381-R384 HydrophobicContact CB-CB 3.89Å; Q381-R384 WeakPolarHBondContact O-CB 3.27Å; Q381-R384 PolarHBondContact O-N 3.03Å; R384-G397 WeakPolarHBondContact CA-O 3.28Å; R384-D398 WeakPolarHBondContact CB-OD1 3.2Å; R384-D398 IonicContact CZ-OD1 3.86Å; R384-D398 IonicContact CZ-OD2 3.05Å; R384-D398 IonicContact NE-OD1 3.22Å; R384-D398 PolarHBondContact NE-OD1 3.36Å; R384-D398 IonicContact NE-OD2 3.73Å; R384-D398 IonicContact NH2-OD1 3.3Å; R384-D398 PolarHBondContact NH2-OD1 3.35Å; R384-D398 IonicContact NH2-OD2 3.86Å; R384-D398 PolarHBondContact NH2-OD2 3.49Å
385Y96.4Very high92.9Very high1 Ų162.7 Ų62.70%0.00432%0.316CS..EExtended strand (participates in β ladder)trans-124.1154.6164.968.2-81.8000110E333 L338 I387 S396 G397 A399 V455 H458E333-Y385 CarbonylContact O-C 3.48Å; E333-Y385 VanDerWaalsContact O-CA 3.22Å; E333-Y385 WeakPolarHBondContact O-CA 3.25Å; E333-Y385 WeakPolarHBondContact O-CB 3.42Å; L338-Y385 HydrophobicContact CD1-CD1 4.28Å; Y385-I387 HydrophobicContact CD2-CD1 4.32Å; Y385-I387 HydrophobicContact CD2-CG1 4.17Å; Y385-I387 HydrophobicContact CE2-CD1 3.94Å; Y385-I387 HydrophobicContact CE2-CG1 4.27Å; Y385-S396 VanDerWaalsContact O-CA 3.31Å; Y385-S396 WeakPolarHBondContact O-CA 3.35Å; Y385-S396 VanDerWaalsContact O-CB 3.29Å; Y385-S396 WeakPolarHBondContact O-CB 3.44Å; Y385-G397 WeakPolarHBondContact CD1-O 3.04Å; Y385-G397 VanDerWaalsContact CE1-C 3.43Å; Y385-G397 VanDerWaalsContact CE1-O 3.3Å; Y385-G397 WeakPolarHBondContact CE1-O 3.47Å; Y385-G397 PolarHBondContact N-O 2.93Å; Y385-G397 PolarHBondContact O-N 2.98Å; Y385-A399 HydrophobicContact CD1-CB 4.24Å; Y385-A399 HydrophobicContact CE1-CB 4.21Å; Y385-V455 HydrophobicContact CD1-CG1 4.44Å; Y385-V455 HydrophobicContact CD1-CG2 3.9Å; Y385-V455 HydrophobicContact CD2-CG1 3.97Å; Y385-V455 HydrophobicContact CE1-CB 4.44Å; Y385-V455 HydrophobicContact CE1-CG1 4.38Å; Y385-V455 HydrophobicContact CE1-CG2 3.63Å; Y385-V455 HydrophobicContact CE2-CG1 3.88Å; Y385-V455 HydrophobicContact CG-CG1 4.25Å; Y385-V455 HydrophobicContact CG-CG2 4.49Å; Y385-H458 AromaticContact CE2-ND1 3.5Å; Y385-H458 WeakPolarHBondContact CE2-ND1 3.34Å; Y385-H458 AromaticContact CZ-ND1 3.56Å; Y385-H458 PolarHBondContact OH-ND1 3.25Å
386R96.2Very high93.1Very high67 Ų6759.3 Ų59.325%0.25331%0.31SS..EExtended strand (participates in β ladder)trans-132.7145.3169.163.7178.2-177.4171.68.3110.3M332 E333 N377 L380 L388 E393 G395M332-R386 CarbonylContact C-O 3.56Å; M332-R386 WeakPolarHBondContact CA-O 3.45Å; E333-R386 HydrophobicContact CB-CG 3.84Å; E333-R386 VanDerWaalsContact CD-NE 3.32Å; E333-R386 PolarHBondContact N-O 3.4Å; E333-R386 PolarHBondContact O-N 3.37Å; E333-R386 IonicContact OE1-CZ 3.79Å; E333-R386 IonicContact OE1-NE 2.74Å; E333-R386 IonicContact OE1-NH2 2.74Å; E333-R386 PolarHBondContact OE1-NH2 2.93Å; E333-R386 IonicContact OE2-CZ 3.71Å; E333-R386 IonicContact OE2-NE 3.6Å; E333-R386 PolarHBondContact OE2-NE 2.89Å; E333-R386 IonicContact OE2-NH2 4Å; E333-R386 PolarHBondContact OE2-NH2 3.08Å; N377-R386 PolarHBondContact ND2-NH2 3.45Å; L380-R386 HydrophobicContact CD1-CG 4.06Å; L380-R386 HydrophobicContact CD2-CG 4.29Å; R386-L388 HydrophobicContact CG-CG 4.47Å; R386-E393 HydrophobicContact CB-CG 4.21Å; R386-G395 WeakPolarHBondContact CA-O 3.41Å
387I96.6Very high93.3Very high0 Ų054.8 Ų54.80%029%0.289CS..EExtended strand (participates in β ladder)trans-109.7126.2178.9-62.2166.6000106.7L330 M332 Y385 I394 G395 L459 L462L330-I387 HydrophobicContact CD1-CG2 4.23Å; M332-I387 HydrophobicContact CG-CG1 4.29Å; Y385-I387 HydrophobicContact CD2-CD1 4.32Å; Y385-I387 HydrophobicContact CD2-CG1 4.17Å; Y385-I387 HydrophobicContact CE2-CD1 3.94Å; Y385-I387 HydrophobicContact CE2-CG1 4.27Å; I387-I394 HydrophobicContact CB-CG1 4.38Å; I387-I394 HydrophobicContact CG2-CD1 4Å; I387-I394 HydrophobicContact CG2-CG1 3.96Å; I387-I394 WeakPolarHBondContact O-CG1 3.42Å; I387-I394 PolarHBondContact O-N 3.46Å; I387-G395 PolarHBondContact N-O 2.95Å; I387-L459 HydrophobicContact CD1-CB 3.98Å; I387-L459 HydrophobicContact CD1-CD1 3.93Å; I387-L459 HydrophobicContact CG1-CD1 4.33Å; I387-L459 HydrophobicContact CG2-CD1 3.85Å; I387-L462 HydrophobicContact CB-CD1 3.97Å; I387-L462 HydrophobicContact CD1-CD1 3.61Å; I387-L462 HydrophobicContact CG1-CD1 4.37Å; I387-L462 HydrophobicContact CG2-CD1 4.08Å
388L95.6Very high93.6Very high18 Ų1855.9 Ų55.99%0.09430%0.295CS..EExtended strand (participates in β ladder)trans-114.4139.1-172.2-60.5161.5000109L330 G331 E333 R386 V392 E393L330-L388 WeakPolarHBondContact CA-O 3.34Å; G331-L388 PolarHBondContact N-O 3.46Å; G331-L388 PolarHBondContact O-N 2.92Å; E333-L388 HydrophobicContact CG-CD1 3.69Å; E333-L388 VanDerWaalsContact OE1-CD1 3.28Å; E333-L388 WeakPolarHBondContact OE1-CD1 3.49Å; R386-L388 HydrophobicContact CG-CG 4.47Å; L388-V392 CarbonylContact C-O 3.59Å; L388-V392 VanDerWaalsContact CA-O 3.29Å; L388-V392 WeakPolarHBondContact CA-O 3.49Å; L388-E393 HydrophobicContact CD2-CB 4.18Å
389M94.5Very high93.9Very high13 Ų1349.4 Ų49.46%0.06426%0.263CS..EExtended strand (participates in β ladder)trans-123.6118.2168-178.9174.868.200107.6S329 G391 V392 I394 H466 E469 L470S329-M389 WeakPolarHBondContact O-CA 3.48Å; S329-M389 WeakPolarHBondContact O-CG 3.31Å; M389-G391 PolarHBondContact O-N 2.81Å; M389-V392 PolarHBondContact N-O 2.72Å; M389-V392 PolarHBondContact O-N 3.01Å; M389-I394 HydrophobicContact CB-CD1 4.04Å; M389-I394 HydrophobicContact CB-CG1 4.36Å; M389-I394 HydrophobicContact CB-CG2 3.83Å; M389-I394 HydrophobicContact CE-CG2 4.07Å; M389-H466 HydrophobicContact CE-CB 4.27Å; M389-H466 HydrophobicContact SD-CB 3.98Å; M389-E469 HydrophobicContact CE-CB 3.93Å; M389-E469 HydrophobicContact CE-CG 4.41Å; M389-E469 WeakPolarHBondContact CE-OE2 3.47Å; M389-E469 HydrophobicContact SD-CB 3.9Å; M389-L470 HydrophobicContact CG-CD2 4.24Å; M389-L470 HydrophobicContact SD-CD2 3.99Å; M389-L470 HydrophobicContact SD-CG 4.18Å
390K91.4Very high94.1Very high114 Ų11443.8 Ų43.850%0.49623%0.231SC..THydrogen-bonded Turntrans52.144.3-177.1-56170.2-174.71630111.9D328 S329 V392 E469D328-K390 WeakPolarHBondContact O-CA 3.45Å; D328-K390 PolarHBondContact O-N 3.02Å; S329-K390 PolarHBondContact O-N 3.03Å; K390-V392 VanDerWaalsContact C-N 3.26Å; K390-V392 PolarHBondContact O-N 3.34Å; K390-E469 PolarHBondContact NZ-O 3.47Å
391G90Very high94Very high34 Ų3444.8 Ų44.835%0.35124%0.239SC..THydrogen-bonded Turntrans77-5.2-178.400000116.3M389M389-G391 PolarHBondContact O-N 2.81Å
392V93.4Very high93.7Very high96 Ų9642.3 Ų42.358%0.58225%0.246SC*.EExtended strand (participates in β ladder)trans-101.8132.2-178.1-176.40000111L388 M389 K390 I394L388-V392 CarbonylContact C-O 3.59Å; L388-V392 VanDerWaalsContact CA-O 3.29Å; L388-V392 WeakPolarHBondContact CA-O 3.49Å; M389-V392 PolarHBondContact N-O 2.72Å; M389-V392 PolarHBondContact O-N 3.01Å; K390-V392 VanDerWaalsContact C-N 3.26Å; K390-V392 PolarHBondContact O-N 3.34Å; V392-I394 PolarHBondContact O-N 3.39Å
393E95.3Very high93.8Very high92 Ų9244.6 Ų44.643%0.4325%0.25SC..EExtended strand (participates in β ladder)trans-65.7117.7176.2-174.6174.2145.800110.9R386 L388 S396R386-E393 HydrophobicContact CB-CG 4.21Å; L388-E393 HydrophobicContact CD2-CB 4.18Å; E393-S396 WeakPolarHBondContact OE1-CB 3.28Å; E393-S396 PolarHBondContact OE1-OG 3.47Å
394I94.8Very high93.9Very high37 Ų3745.8 Ų45.819%0.1925%0.252CS..EExtended strand (participates in β ladder)trans-103.6-12175.357.4163.6000112.6I387 M389 V392 L462I387-I394 HydrophobicContact CB-CG1 4.38Å; I387-I394 HydrophobicContact CG2-CD1 4Å; I387-I394 HydrophobicContact CG2-CG1 3.96Å; I387-I394 WeakPolarHBondContact O-CG1 3.42Å; I387-I394 PolarHBondContact O-N 3.46Å; M389-I394 HydrophobicContact CB-CD1 4.04Å; M389-I394 HydrophobicContact CB-CG1 4.36Å; M389-I394 HydrophobicContact CB-CG2 3.83Å; M389-I394 HydrophobicContact CE-CG2 4.07Å; V392-I394 PolarHBondContact O-N 3.39Å; I394-L462 HydrophobicContact CD1-CB 4.1Å; I394-L462 HydrophobicContact CD1-CD1 4.34Å; I394-L462 HydrophobicContact CG1-CD1 4.27Å; I394-L462 WeakPolarHBondContact O-CD2 3.37Å
395G94.5Very high93.9Very high14 Ų1441.3 Ų41.314%0.14424%0.236CC..EExtended strand (participates in β ladder)trans-177.9155.5172.100000112R386 I387R386-G395 WeakPolarHBondContact CA-O 3.41Å; I387-G395 PolarHBondContact N-O 2.95Å
396S95.8Very high93.8Very high47 Ų4741.3 Ų41.333%0.32924%0.235SC..EExtended strand (participates in β ladder)trans-146.4163.7177.449.70000111.1Y385 E393Y385-S396 VanDerWaalsContact O-CA 3.31Å; Y385-S396 WeakPolarHBondContact O-CA 3.35Å; Y385-S396 VanDerWaalsContact O-CB 3.29Å; Y385-S396 WeakPolarHBondContact O-CB 3.44Å; E393-S396 WeakPolarHBondContact OE1-CB 3.28Å; E393-S396 PolarHBondContact OE1-OG 3.47Å
397G94.5Very high93.7Very high12 Ų1239 Ų3912%0.12423%0.228CC..EExtended strand (participates in β ladder)trans-169.5168.4177.800000112.1R384 Y385R384-G397 WeakPolarHBondContact CA-O 3.28Å; Y385-G397 WeakPolarHBondContact CD1-O 3.04Å; Y385-G397 VanDerWaalsContact CE1-C 3.43Å; Y385-G397 VanDerWaalsContact CE1-O 3.3Å; Y385-G397 WeakPolarHBondContact CE1-O 3.47Å; Y385-G397 PolarHBondContact N-O 2.93Å; Y385-G397 PolarHBondContact O-N 2.98Å
398D94.6Very high93.5Very high51 Ų5140.8 Ų40.827%0.27324%0.237SC..EExtended strand (participates in β ladder)trans-105.3135175.6-60.4-60.1000109.2A383 R384 W432A383-D398 CarbonylContact O-C 3.48Å; A383-D398 WeakPolarHBondContact O-CA 3.23Å; R384-D398 WeakPolarHBondContact CB-OD1 3.2Å; R384-D398 IonicContact CZ-OD1 3.86Å; R384-D398 IonicContact CZ-OD2 3.05Å; R384-D398 IonicContact NE-OD1 3.22Å; R384-D398 PolarHBondContact NE-OD1 3.36Å; R384-D398 IonicContact NE-OD2 3.73Å; R384-D398 IonicContact NH2-OD1 3.3Å; R384-D398 PolarHBondContact NH2-OD1 3.35Å; R384-D398 IonicContact NH2-OD2 3.86Å; R384-D398 PolarHBondContact NH2-OD2 3.49Å; D398-W432 WeakPolarHBondContact O-CZ2 3.42Å
399A93.6Very high92.9Very high0 Ų042.9 Ų42.90%025%0.252CS..  trans-134139.5178.800000110.1L338 A383 Y385 A451 V455L338-A399 HydrophobicContact CD2-CB 3.94Å; L338-A399 VanDerWaalsContact CD2-O 3.26Å; L338-A399 WeakPolarHBondContact CD2-O 3.33Å; A383-A399 WeakPolarHBondContact CB-O 3.37Å; A383-A399 PolarHBondContact O-N 3.09Å; Y385-A399 HydrophobicContact CD1-CB 4.24Å; Y385-A399 HydrophobicContact CE1-CB 4.21Å; A399-A451 HydrophobicContact CB-CB 4.45Å; A399-V455 HydrophobicContact CB-CG2 3.71Å
400Y93.4Very high92.4Very high36 Ų3645.4 Ų45.414%0.14128%0.282CS..  trans-119.6104.6-175.9-61.4-73.6000110.1A383 G402 R403 E419 W432 A451A383-Y400 HydrophobicContact CB-CD1 3.72Å; A383-Y400 HydrophobicContact CB-CE1 3.51Å; Y400-G402 PolarHBondContact O-N 2.97Å; Y400-R403 WeakPolarHBondContact O-CB 3.41Å; Y400-R403 PolarHBondContact O-N 3.05Å; Y400-E419 PolarHBondContact OH-OE1 3.12Å; Y400-W432 HydrophobicContact CD2-CB 4.49Å; Y400-W432 AromaticContact CD2-CD1 3.67Å; Y400-W432 AromaticContact CD2-CD2 3.78Å; Y400-W432 HydrophobicContact CD2-CD2 3.78Å; Y400-W432 AromaticContact CD2-CE2 3.74Å; Y400-W432 HydrophobicContact CD2-CE3 4.47Å; Y400-W432 AromaticContact CD2-CG 3.76Å; Y400-W432 HydrophobicContact CD2-CG 3.76Å; Y400-W432 HydrophobicContact CD2-CZ2 4.42Å; Y400-W432 AromaticContact CD2-NE1 3.64Å; Y400-W432 AromaticContact CE2-CD1 3.63Å; Y400-W432 HydrophobicContact CE2-CD2 4.5Å; Y400-W432 HydrophobicContact CE2-CG 4.14Å; Y400-W432 AromaticContact CE2-NE1 3.69Å; Y400-A451 WeakPolarHBondContact O-CB 3.44Å
401P89.2Confident91.9Very high45 Ų4547 Ų4729%0.29229%0.294SS..THydrogen-bonded Turntrans-53.9135.8178.2-19.124.6000111.5R337 L338 M341 R403R337-P401 VanDerWaalsContact O-CG 3.27Å; R337-P401 WeakPolarHBondContact O-CG 3.15Å; L338-P401 HydrophobicContact CD2-CG 4.15Å; M341-P401 HydrophobicContact CG-CB 4.32Å; M341-P401 HydrophobicContact CG-CG 4.21Å; M341-P401 HydrophobicContact SD-CB 4.1Å; M341-P401 HydrophobicContact SD-CG 3.73Å; P401-R403 VanDerWaalsContact C-N 3.25Å; P401-R403 PolarHBondContact O-N 2.95Å
402G88Confident91.6Very high70 Ų7046.2 Ų46.272%0.72229%0.285SS*.THydrogen-bonded Turntrans79.8-7.2-17700000115.6Y400Y400-G402 PolarHBondContact O-N 2.97Å
403R93Very high91Very high86 Ų8644.9 Ų44.933%0.32528%0.283SS..  trans-98.9164.1170.5-66-169.9169.6177.5-5.5111.6Y400 P401 E419 W432 A451Y400-R403 WeakPolarHBondContact O-CB 3.41Å; Y400-R403 PolarHBondContact O-N 3.05Å; P401-R403 VanDerWaalsContact C-N 3.25Å; P401-R403 PolarHBondContact O-N 2.95Å; R403-E419 IonicContact NH1-OE2 3.22Å; R403-E419 PolarHBondContact NH1-OE2 3.33Å; R403-W432 HydrophobicContact CB-CE3 3.92Å; R403-W432 HydrophobicContact CB-CZ3 4.48Å; R403-A451 PolarHBondContact O-N 2.8Å
404W94.8Very high90.4Very high34 Ų3443 Ų4313%0.12929%0.289CS..EExtended strand (participates in β ladder)trans-121.3143.1-179.6-62.973.4000109.9W432 I433 K438 V448 V449 E450W404-W432 VanDerWaalsContact C-CE3 3.48Å; W404-W432 CarbonylContact O-C 3.5Å; W404-W432 WeakPolarHBondContact O-CA 3.35Å; W404-I433 HydrophobicContact CB-CG1 4.07Å; W404-I433 PolarHBondContact N-O 3.23Å; W404-I433 WeakPolarHBondContact O-CG1 3.4Å; W404-I433 PolarHBondContact O-N 3.47Å; W404-K438 HydrophobicContact CD2-CD 4.32Å; W404-K438 HydrophobicContact CE3-CD 4.15Å; W404-K438 HydrophobicContact CH2-CD 4.13Å; W404-K438 HydrophobicContact CZ2-CD 4.29Å; W404-K438 HydrophobicContact CZ3-CD 4.02Å; W404-K438 VanDerWaalsContact CZ3-NZ 3.27Å; W404-V448 HydrophobicContact CB-CG1 3.82Å; W404-V448 HydrophobicContact CD2-CG1 4.37Å; W404-V448 HydrophobicContact CE3-CG1 3.89Å; W404-V448 HydrophobicContact CG-CG1 4.39Å; W404-V449 CarbonylContact C-O 3.58Å; W404-V449 WeakPolarHBondContact CA-O 3.4Å; W404-E450 HydrophobicContact CD2-CG 3.92Å; W404-E450 HydrophobicContact CE3-CB 4.38Å; W404-E450 HydrophobicContact CE3-CG 3.53Å; W404-E450 VanDerWaalsContact CH2-CD 3.46Å; W404-E450 HydrophobicContact CH2-CG 3.14Å; W404-E450 WeakPolarHBondContact CH2-OE1 3.28Å; W404-E450 HydrophobicContact CZ2-CG 3.55Å; W404-E450 VanDerWaalsContact CZ2-OE1 3.26Å; W404-E450 WeakPolarHBondContact CZ2-OE1 2.82Å; W404-E450 HydrophobicContact CZ3-CB 4.34Å; W404-E450 HydrophobicContact CZ3-CG 3.16Å
405L96Very high89.8Confident1 Ų147.1 Ų47.11%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-96.3117.5175.1-170.969.3000109.1I407 T421 D423 A430 W432 V448 V449 V454L405-I407 HydrophobicContact CD2-CD1 4.19Å; L405-I407 HydrophobicContact CD2-CG1 3.88Å; L405-I407 HydrophobicContact CG-CG1 3.99Å; L405-T421 HydrophobicContact CD1-CG2 3.45Å; L405-T421 VanDerWaalsContact CD1-CG2 3.45Å; L405-D423 HydrophobicContact CD2-CB 4.44Å; L405-A430 HydrophobicContact CD1-CB 3.59Å; L405-A430 HydrophobicContact CD2-CB 4.16Å; L405-A430 HydrophobicContact CG-CB 3.83Å; L405-W432 HydrophobicContact CB-CD2 4.42Å; L405-W432 HydrophobicContact CB-CE3 4.03Å; L405-W432 HydrophobicContact CB-CH2 4.02Å; L405-W432 HydrophobicContact CB-CZ2 4.41Å; L405-W432 HydrophobicContact CB-CZ3 3.82Å; L405-W432 HydrophobicContact CD1-CD2 3.82Å; L405-W432 HydrophobicContact CD1-CE3 4.28Å; L405-W432 HydrophobicContact CD1-CG 4.14Å; L405-W432 HydrophobicContact CD1-CZ2 4.11Å; L405-V448 WeakPolarHBondContact O-CA 3.48Å; L405-V449 HydrophobicContact CB-CG2 4.12Å; L405-V449 PolarHBondContact N-O 3.06Å; L405-V449 PolarHBondContact O-N 3.42Å; L405-V454 HydrophobicContact CB-CG2 3.61Å; L405-V454 HydrophobicContact CD2-CB 4.42Å; L405-V454 HydrophobicContact CD2-CG1 3.91Å; L405-V454 HydrophobicContact CD2-CG2 3.55Å; L405-V454 HydrophobicContact CG-CG2 4.21Å
406A95.6Very high89.5Confident0 Ų046.9 Ų46.90%031%0.311CS..EExtended strand (participates in β ladder)trans-93.3101.5172.300000109.2L416 A430 I431 I433 A441 Y446 V448A406-L416 HydrophobicContact CB-CD1 3.82Å; A406-A430 CarbonylContact O-C 3.59Å; A406-A430 WeakPolarHBondContact O-CA 3.33Å; A406-I431 PolarHBondContact N-O 2.98Å; A406-I431 PolarHBondContact O-N 2.77Å; A406-I433 HydrophobicContact CB-CD1 3.93Å; A406-I433 HydrophobicContact CB-CG1 4.24Å; A406-I433 HydrophobicContact CB-CG2 4.37Å; A406-A441 HydrophobicContact CB-CB 4.25Å; A406-Y446 HydrophobicContact CB-CD1 3.88Å; A406-Y446 HydrophobicContact CB-CG 4.07Å; A406-V448 HydrophobicContact CB-CG2 4.4Å
407I93.7Very high89.1Confident18 Ų1848.9 Ų48.99%0.09232%0.323CS..EExtended strand (participates in β ladder)trans-87.6130.8-178.3-54.2171.5000109.1L405 P409 D423 L428 A430 Y446 T447 V449L405-I407 HydrophobicContact CD2-CD1 4.19Å; L405-I407 HydrophobicContact CD2-CG1 3.88Å; L405-I407 HydrophobicContact CG-CG1 3.99Å; I407-P409 WeakPolarHBondContact O-CD 3.26Å; I407-D423 HydrophobicContact CD1-CB 4.25Å; I407-D423 HydrophobicContact CG1-CB 4.35Å; I407-D423 HydrophobicContact CG2-CB 4.39Å; I407-L428 HydrophobicContact CG2-CB 3.68Å; I407-L428 HydrophobicContact CG2-CD1 3.79Å; I407-L428 HydrophobicContact CG2-CG 4.4Å; I407-A430 HydrophobicContact CG1-CB 4.21Å; I407-Y446 WeakPolarHBondContact O-CA 3.42Å; I407-T447 PolarHBondContact N-O 2.85Å; I407-T447 PolarHBondContact O-N 3.2Å; I407-V449 HydrophobicContact CD1-CG2 4Å
408N91.7Very high88.8Confident38 Ų3850.7 Ų50.720%0.20334%0.342CS..  trans-90.8107.9175-172.3-9000110.2G410 A412 N429 Y446N408-G410 PolarHBondContact O-N 2.9Å; N408-G410 VanDerWaalsContact O-N 3.12Å; N408-G410 WeakPolarHBondContact OD1-CA 3.36Å; N408-G410 PolarHBondContact OD1-N 2.81Å; N408-A412 HydrophobicContact CB-CB 4.36Å; N408-A412 VanDerWaalsContact OD1-CB 3.26Å; N408-A412 WeakPolarHBondContact OD1-CB 3.4Å; N408-A412 PolarHBondContact OD1-N 2.65Å; N408-N429 WeakPolarHBondContact CB-O 3.43Å; N408-N429 PolarHBondContact N-O 3.18Å; N408-Y446 HydrophobicContact CB-CD1 4.09Å; N408-Y446 HydrophobicContact CB-CE1 3.77Å
409P84Confident88.6Confident63 Ų6352.3 Ų52.341%0.40935%0.348SS..  trans-72.54.5175.130-34.6000113.9I407 I411I407-P409 WeakPolarHBondContact O-CD 3.26Å; P409-I411 HydrophobicContact CG-CG1 3.85Å
410G83.2Confident88.6Confident66 Ų6656.4 Ų56.468%0.6838%0.382SS*.SBendtrans104.4-11.8-179.800000114.3N408N408-G410 PolarHBondContact O-N 2.9Å; N408-G410 VanDerWaalsContact O-N 3.12Å; N408-G410 WeakPolarHBondContact OD1-CA 3.36Å; N408-G410 PolarHBondContact OD1-N 2.81Å
411I82Confident88.6Confident146 Ų14656.9 Ų56.975%0.74939%0.389SS*.  trans-109.1-0-178.257.5164.5000113.6P409P409-I411 HydrophobicContact CG-CG1 3.85Å
412A82.6Confident88.8Confident19 Ų1958.2 Ų58.216%0.15740%0.396CS..  trans-71138.3-176.800000111.6N408 Q444 Y446N408-A412 HydrophobicContact CB-CB 4.36Å; N408-A412 VanDerWaalsContact OD1-CB 3.26Å; N408-A412 WeakPolarHBondContact OD1-CB 3.4Å; N408-A412 PolarHBondContact OD1-N 2.65Å; A412-Q444 CarbonylContact C-O 3.39Å; A412-Q444 WeakPolarHBondContact CA-O 3.41Å; A412-Y446 HydrophobicContact CB-CD1 4.15Å; A412-Y446 HydrophobicContact CB-CD2 3.69Å; A412-Y446 HydrophobicContact CB-CE1 4.09Å; A412-Y446 HydrophobicContact CB-CE2 3.61Å; A412-Y446 HydrophobicContact CB-CG 3.97Å
413A80.3Confident88.9Confident67 Ų6755 Ų5555%0.55436%0.362SS*.  trans-104.9125-177.100000111.6Q444A413-Q444 PolarHBondContact N-O 2.94Å; A413-Q444 WeakPolarHBondContact O-CB 3.44Å; A413-Q444 WeakPolarHBondContact O-CG 3.41Å
414G82.4Confident88.9Confident54 Ų5452.8 Ų52.856%0.55736%0.359SS*.SBendtrans90.9-174.3-179.600000113.3Y446G414-Y446 PolarHBondContact O-OH 3.09Å; G414-Y446 VanDerWaalsContact O-OH 3.12Å
415T83.5Confident88.7Confident122 Ų12251.4 Ų51.475%0.74835%0.354SS*.  trans-126.7143.2175.2540000109.5
416L86.9Confident88.2Confident10 Ų1057.4 Ų57.45%0.05238%0.381CS..  trans-97.7143.3176.6-66.2161.1000109.7A406 G418 I431 I433 Q440 A441 Y446A406-L416 HydrophobicContact CB-CD1 3.82Å; L416-G418 PolarHBondContact O-N 3.07Å; L416-I431 HydrophobicContact CB-CD1 4.33Å; L416-I433 HydrophobicContact CB-CG2 4.01Å; L416-I433 HydrophobicContact CD1-CG2 4.2Å; L416-Q440 HydrophobicContact CD2-CG 4.14Å; L416-A441 HydrophobicContact CD1-CB 3.4Å; L416-A441 HydrophobicContact CD2-CB 4.22Å; L416-A441 HydrophobicContact CG-CB 4.45Å; L416-Y446 HydrophobicContact CD1-CD1 4.39Å; L416-Y446 HydrophobicContact CD1-CD2 3.68Å; L416-Y446 HydrophobicContact CD1-CE1 4.42Å; L416-Y446 HydrophobicContact CD1-CE2 3.71Å; L416-Y446 HydrophobicContact CD1-CG 4.04Å; L416-Y446 HydrophobicContact CG-CD2 4.43Å; L416-Y446 HydrophobicContact CG-CE2 4.07Å
417P87.6Confident87.9Confident88 Ų8860 Ų6057%0.57141%0.407SS*.SBendtrans-68.3125.3169.227-29.3000109.3L437P417-L437 HydrophobicContact CG-CD1 3.81Å; P417-L437 HydrophobicContact CG-CD2 4.36Å; P417-L437 WeakPolarHBondContact O-CD1 3.38Å
418G89.8Confident87.7Confident51 Ų5162.3 Ų62.353%0.52642%0.419SS..SBendtrans167.4-174.9-177.700000112.8L416 W432L416-G418 PolarHBondContact O-N 3.07Å; G418-W432 VanDerWaalsContact CA-O 3.25Å; G418-W432 WeakPolarHBondContact CA-O 3.32Å
419E90.3Very high87.7Confident84 Ų8466.2 Ų66.239%0.39344%0.44SS..EExtended strand (participates in β ladder)trans-89.9111.7179.4-170.4-179.8153.400109.4Y400 R403 I431 W432Y400-E419 PolarHBondContact OH-OE1 3.12Å; R403-E419 IonicContact NH1-OE2 3.22Å; R403-E419 PolarHBondContact NH1-OE2 3.33Å; E419-I431 WeakPolarHBondContact O-CA 3.29Å; E419-W432 HydrophobicContact CB-CB 4.24Å; E419-W432 PolarHBondContact N-O 2.89Å; E419-W432 VanDerWaalsContact N-O 3.11Å; E419-W432 PolarHBondContact O-N 2.84Å
420A92.2Very high88.2Confident86 Ų8663.3 Ų63.371%0.71142%0.422SS*.EExtended strand (participates in β ladder)trans-66.5134.3179.600000110.7
421T93.9Very high88.8Confident47 Ų4761.3 Ų61.329%0.28840%0.395SS..EExtended strand (participates in β ladder)trans-152.6-172.5-177.9-165.40000110.3L405 A430 W432L405-T421 HydrophobicContact CD1-CG2 3.45Å; L405-T421 VanDerWaalsContact CD1-CG2 3.45Å; T421-A430 CarbonylContact C-O 3.58Å; T421-A430 HydrophobicContact CG2-CB 4.15Å; T421-A430 PolarHBondContact N-O 3.39Å; T421-A430 CarbonylContact O-C 3.56Å; T421-A430 PolarHBondContact O-N 3.33Å; T421-W432 HydrophobicContact CG2-CG 4.44Å
422V92.5Very high89.4Confident72 Ų7254.6 Ų54.644%0.43636%0.36SS..EExtended strand (participates in β ladder)trans-125.5139.5175.1-176.60000108.2P424 G427 L428V422-P424 WeakPolarHBondContact O-CD 3.49Å; V422-G427 VanDerWaalsContact CG1-CA 3.49Å; V422-G427 WeakPolarHBondContact CG1-O 3.49Å; V422-L428 CarbonylContact C-O 3.54Å; V422-L428 WeakPolarHBondContact CA-O 3.12Å
423D92.1Very high90Very high2 Ų253.8 Ų53.81%0.01135%0.353CS..  trans-62.8121.4171.3173.666.8000109.9L405 I407 A425 F426 G427 L428L405-D423 HydrophobicContact CD2-CB 4.44Å; I407-D423 HydrophobicContact CD1-CB 4.25Å; I407-D423 HydrophobicContact CG1-CB 4.35Å; I407-D423 HydrophobicContact CG2-CB 4.39Å; D423-A425 VanDerWaalsContact C-N 3.26Å; D423-A425 PolarHBondContact O-N 3.26Å; D423-A425 PolarHBondContact OD2-N 3.25Å; D423-F426 WeakPolarHBondContact OD2-CB 3.03Å; D423-F426 VanDerWaalsContact OD2-CD2 3.24Å; D423-F426 WeakPolarHBondContact OD2-CD2 3.27Å; D423-F426 PolarHBondContact OD2-N 2.92Å; D423-G427 WeakPolarHBondContact O-CA 3.3Å; D423-G427 PolarHBondContact O-N 3.33Å; D423-L428 HydrophobicContact CB-CB 4.34Å; D423-L428 PolarHBondContact N-O 2.83Å
424P92.2Very high90.7Very high40 Ų4056.6 Ų56.626%0.2636%0.355SS..THydrogen-bonded Turntrans-71.5-19.2-173.928.4-35.5000113.4V422 V454 H458V422-P424 WeakPolarHBondContact O-CD 3.49Å; P424-V454 HydrophobicContact CG-CG1 3.83Å; P424-H458 HydrophobicContact CB-CB 4.42Å; P424-H458 HydrophobicContact CG-CB 4.08Å; P424-H458 PolarHBondContact O-CD2 2.8Å
425A89.9Confident91.1Very high5 Ų557.5 Ų57.54%0.04135%0.353CS..THydrogen-bonded Turntrans-82.5-37.8-17900000112.8D423 T457 H458 H461D423-A425 VanDerWaalsContact C-N 3.26Å; D423-A425 PolarHBondContact O-N 3.26Å; D423-A425 PolarHBondContact OD2-N 3.25Å; A425-T457 HydrophobicContact CB-CG2 4Å; A425-H458 HydrophobicContact CB-CB 4.39Å; A425-H461 HydrophobicContact CB-CB 4.21Å; A425-H461 PolarHBondContact O-CD2 3.02Å; A425-H461 PolarHBondContact O-NE2 3.06Å
426F87.1Confident91.6Very high128 Ų12856 Ų5656%0.56135%0.353SS*.THydrogen-bonded Turntrans-126.7-3-171-54.4-67.1000114.4D423 L428 T457D423-F426 WeakPolarHBondContact OD2-CB 3.03Å; D423-F426 VanDerWaalsContact OD2-CD2 3.24Å; D423-F426 WeakPolarHBondContact OD2-CD2 3.27Å; D423-F426 PolarHBondContact OD2-N 2.92Å; F426-L428 VanDerWaalsContact C-N 3.27Å; F426-L428 HydrophobicContact CB-CD1 4.23Å; F426-L428 HydrophobicContact CB-CG 4.08Å; F426-L428 PolarHBondContact O-N 2.92Å; F426-T457 HydrophobicContact CE2-CG2 3.79Å; F426-T457 HydrophobicContact CZ-CG2 4.19Å
427G87.5Confident91.9Very high53 Ų5357.1 Ų57.155%0.54636%0.359SS..  trans72.417.8178.700000114.3V422 D423V422-G427 VanDerWaalsContact CG1-CA 3.49Å; V422-G427 WeakPolarHBondContact CG1-O 3.49Å; D423-G427 WeakPolarHBondContact O-CA 3.3Å; D423-G427 PolarHBondContact O-N 3.33Å
428L89.5Confident92.1Very high67 Ų6755.9 Ų55.935%0.35135%0.345SS..  trans-82.2141.7-178.1-64.1175.7000111.4I407 V422 D423 F426 A430I407-L428 HydrophobicContact CG2-CB 3.68Å; I407-L428 HydrophobicContact CG2-CD1 3.79Å; I407-L428 HydrophobicContact CG2-CG 4.4Å; V422-L428 CarbonylContact C-O 3.54Å; V422-L428 WeakPolarHBondContact CA-O 3.12Å; D423-L428 HydrophobicContact CB-CB 4.34Å; D423-L428 PolarHBondContact N-O 2.83Å; F426-L428 VanDerWaalsContact C-N 3.27Å; F426-L428 HydrophobicContact CB-CD1 4.23Å; F426-L428 HydrophobicContact CB-CG 4.08Å; F426-L428 PolarHBondContact O-N 2.92Å; L428-A430 PolarHBondContact O-N 2.98Å
429N92.7Very high92.2Very high120 Ų12060.6 Ų60.664%0.64235%0.353SS*.EExtended strand (participates in β ladder)trans-58.9130.1174.7-70.3-36.7000110.4N408N408-N429 WeakPolarHBondContact CB-O 3.43Å; N408-N429 PolarHBondContact N-O 3.18Å
430A94.1Very high92.3Very high3 Ų360.8 Ų60.83%0.02535%0.354CS..EExtended strand (participates in β ladder)trans-143.3163.5-176.400000111.9L405 A406 I407 T421 L428L405-A430 HydrophobicContact CD1-CB 3.59Å; L405-A430 HydrophobicContact CD2-CB 4.16Å; L405-A430 HydrophobicContact CG-CB 3.83Å; A406-A430 CarbonylContact O-C 3.59Å; A406-A430 WeakPolarHBondContact O-CA 3.33Å; I407-A430 HydrophobicContact CG1-CB 4.21Å; T421-A430 CarbonylContact C-O 3.58Å; T421-A430 HydrophobicContact CG2-CB 4.15Å; T421-A430 PolarHBondContact N-O 3.39Å; T421-A430 CarbonylContact O-C 3.56Å; T421-A430 PolarHBondContact O-N 3.33Å; L428-A430 PolarHBondContact O-N 2.98Å
431I95.1Very high92.3Very high23 Ų2356.7 Ų56.712%0.11832%0.32CS..EExtended strand (participates in β ladder)trans-134.9128.4178.9-53.9175.2000108.6A406 L416 E419 I433A406-I431 PolarHBondContact N-O 2.98Å; A406-I431 PolarHBondContact O-N 2.77Å; L416-I431 HydrophobicContact CB-CD1 4.33Å; E419-I431 WeakPolarHBondContact O-CA 3.29Å; I431-I433 HydrophobicContact CB-CG2 4.42Å; I431-I433 HydrophobicContact CG2-CG2 4.02Å; I431-I433 PolarHBondContact O-N 3.43Å
432W95.8Very high92.2Very high5 Ų559.3 Ų59.32%0.01933%0.329CS..EExtended strand (participates in β ladder)trans-74.6119168.9-73.9108.7000109.8D398 Y400 R403 W404 L405 G418 E419 T421 A451 V454D398-W432 WeakPolarHBondContact O-CZ2 3.42Å; Y400-W432 HydrophobicContact CD2-CB 4.49Å; Y400-W432 AromaticContact CD2-CD1 3.67Å; Y400-W432 AromaticContact CD2-CD2 3.78Å; Y400-W432 HydrophobicContact CD2-CD2 3.78Å; Y400-W432 AromaticContact CD2-CE2 3.74Å; Y400-W432 HydrophobicContact CD2-CE3 4.47Å; Y400-W432 AromaticContact CD2-CG 3.76Å; Y400-W432 HydrophobicContact CD2-CG 3.76Å; Y400-W432 HydrophobicContact CD2-CZ2 4.42Å; Y400-W432 AromaticContact CD2-NE1 3.64Å; Y400-W432 AromaticContact CE2-CD1 3.63Å; Y400-W432 HydrophobicContact CE2-CD2 4.5Å; Y400-W432 HydrophobicContact CE2-CG 4.14Å; Y400-W432 AromaticContact CE2-NE1 3.69Å; R403-W432 HydrophobicContact CB-CE3 3.92Å; R403-W432 HydrophobicContact CB-CZ3 4.48Å; W404-W432 VanDerWaalsContact C-CE3 3.48Å; W404-W432 CarbonylContact O-C 3.5Å; W404-W432 WeakPolarHBondContact O-CA 3.35Å; L405-W432 HydrophobicContact CB-CD2 4.42Å; L405-W432 HydrophobicContact CB-CE3 4.03Å; L405-W432 HydrophobicContact CB-CH2 4.02Å; L405-W432 HydrophobicContact CB-CZ2 4.41Å; L405-W432 HydrophobicContact CB-CZ3 3.82Å; L405-W432 HydrophobicContact CD1-CD2 3.82Å; L405-W432 HydrophobicContact CD1-CE3 4.28Å; L405-W432 HydrophobicContact CD1-CG 4.14Å; L405-W432 HydrophobicContact CD1-CZ2 4.11Å; G418-W432 VanDerWaalsContact CA-O 3.25Å; G418-W432 WeakPolarHBondContact CA-O 3.32Å; E419-W432 HydrophobicContact CB-CB 4.24Å; E419-W432 PolarHBondContact N-O 2.89Å; E419-W432 VanDerWaalsContact N-O 3.11Å; E419-W432 PolarHBondContact O-N 2.84Å; T421-W432 HydrophobicContact CG2-CG 4.44Å; W432-A451 HydrophobicContact CH2-CB 3.88Å; W432-A451 HydrophobicContact CZ3-CB 3.89Å; W432-V454 HydrophobicContact CH2-CB 4.38Å; W432-V454 HydrophobicContact CH2-CG2 3.98Å
433I95.3Very high92.1Very high2 Ų262.8 Ų62.81%0.0134%0.344CS..EExtended strand (participates in β ladder)trans-119.7158.6-177.561.1167.2000111.3W404 A406 L416 I431 L437 A441 V448W404-I433 HydrophobicContact CB-CG1 4.07Å; W404-I433 PolarHBondContact N-O 3.23Å; W404-I433 WeakPolarHBondContact O-CG1 3.4Å; W404-I433 PolarHBondContact O-N 3.47Å; A406-I433 HydrophobicContact CB-CD1 3.93Å; A406-I433 HydrophobicContact CB-CG1 4.24Å; A406-I433 HydrophobicContact CB-CG2 4.37Å; L416-I433 HydrophobicContact CB-CG2 4.01Å; L416-I433 HydrophobicContact CD1-CG2 4.2Å; I431-I433 HydrophobicContact CB-CG2 4.42Å; I431-I433 HydrophobicContact CG2-CG2 4.02Å; I431-I433 PolarHBondContact O-N 3.43Å; I433-L437 HydrophobicContact CB-CB 4.15Å; I433-L437 HydrophobicContact CB-CD1 4.16Å; I433-L437 HydrophobicContact CD1-CB 4.01Å; I433-L437 HydrophobicContact CG2-CD1 4.33Å; I433-A441 HydrophobicContact CD1-CB 3.68Å; I433-V448 HydrophobicContact CD1-CG1 4.22Å
434E94.3Very high92.1Very high126 Ų12664.8 Ų64.859%0.58935%0.353SS*.  trans-77.8157.7170.5-62.4-171.2174.900111.3A436 L437E434-A436 PolarHBondContact O-N 3.08Å; E434-A436 VanDerWaalsContact O-N 3.09Å; E434-L437 PolarHBondContact O-N 3.48Å
435S91.7Very high92.1Very high73 Ų7364.2 Ų64.251%0.5135%0.354SS..G310 helixtrans-53.1-34.1-179.2-168.30000113.2L437 K438S435-L437 PolarHBondContact O-N 3.12Å; S435-K438 VanDerWaalsContact O-CB 3.32Å; S435-K438 WeakPolarHBondContact O-CB 3.46Å; S435-K438 PolarHBondContact O-N 2.8Å
436A93.3Very high92.2Very high92 Ų9264.7 Ų64.776%0.7636%0.355SS*.G310 helixtrans-62.6-22.717900000114.3E434E434-A436 PolarHBondContact O-N 3.08Å; E434-A436 VanDerWaalsContact O-N 3.09Å
437L92.7Very high92.5Very high32 Ų3262.2 Ų62.217%0.16835%0.35CS..G310 helixtrans-94.3-0.8-178.4-65.3169.6000113P417 I433 E434 S435 E439 Q440 A441P417-L437 HydrophobicContact CG-CD1 3.81Å; P417-L437 HydrophobicContact CG-CD2 4.36Å; P417-L437 WeakPolarHBondContact O-CD1 3.38Å; I433-L437 HydrophobicContact CB-CB 4.15Å; I433-L437 HydrophobicContact CB-CD1 4.16Å; I433-L437 HydrophobicContact CD1-CB 4.01Å; I433-L437 HydrophobicContact CG2-CD1 4.33Å; E434-L437 PolarHBondContact O-N 3.48Å; S435-L437 PolarHBondContact O-N 3.12Å; L437-E439 PolarHBondContact O-N 3.44Å; L437-Q440 PolarHBondContact O-N 3.45Å; L437-A441 VanDerWaalsContact O-CB 3.29Å; L437-A441 WeakPolarHBondContact O-CB 3.5Å; L437-A441 PolarHBondContact O-N 3.34Å
438K91.8Very high92.8Very high63 Ų6360.4 Ų60.427%0.27433%0.329SS..Hα-helixtrans-58.3-49.5-174.9179.3176.2178.6-178.80112.8W404 S435 A441 Q442 V448W404-K438 HydrophobicContact CD2-CD 4.32Å; W404-K438 HydrophobicContact CE3-CD 4.15Å; W404-K438 HydrophobicContact CH2-CD 4.13Å; W404-K438 HydrophobicContact CZ2-CD 4.29Å; W404-K438 HydrophobicContact CZ3-CD 4.02Å; W404-K438 VanDerWaalsContact CZ3-NZ 3.27Å; S435-K438 VanDerWaalsContact O-CB 3.32Å; S435-K438 WeakPolarHBondContact O-CB 3.46Å; S435-K438 PolarHBondContact O-N 2.8Å; K438-A441 PolarHBondContact O-N 3.44Å; K438-Q442 WeakPolarHBondContact O-CG 3.44Å; K438-Q442 PolarHBondContact O-N 3.46Å; K438-V448 HydrophobicContact CG-CB 4.43Å; K438-V448 HydrophobicContact CG-CG1 3.97Å
439E92Very high93Very high150 Ų15058.7 Ų58.770%0.70132%0.321SS*.Hα-helixtrans-64.7-43.1-180-67.4-175.217700111.2L437 A441 Q442 I443L437-E439 PolarHBondContact O-N 3.44Å; E439-A441 PolarHBondContact O-N 3.44Å; E439-Q442 PolarHBondContact O-N 3.32Å; E439-I443 VanDerWaalsContact O-CG1 3.26Å; E439-I443 WeakPolarHBondContact O-CG1 3.48Å; E439-I443 PolarHBondContact O-N 2.97Å
440Q92.7Very high93.1Very high88 Ų8855.6 Ų55.641%0.41130%0.303SS..Hα-helixtrans-60.8-44.5176.6-177.8177-3.200111.7L416 L437 I443 Q444L416-Q440 HydrophobicContact CD2-CG 4.14Å; L437-Q440 PolarHBondContact O-N 3.45Å; Q440-I443 PolarHBondContact O-N 3.37Å; Q440-Q444 WeakPolarHBondContact O-CB 3.48Å; Q440-Q444 WeakPolarHBondContact O-CG 3.47Å; Q440-Q444 PolarHBondContact O-N 3.48Å
441A91.5Very high93Very high0 Ų055.6 Ų55.60%030%0.303CS..Hα-helixtrans-62.5-43.6178.400000111.9A406 L416 I433 L437 K438 E439 Q444 G445 Y446 V448A406-A441 HydrophobicContact CB-CB 4.25Å; L416-A441 HydrophobicContact CD1-CB 3.4Å; L416-A441 HydrophobicContact CD2-CB 4.22Å; L416-A441 HydrophobicContact CG-CB 4.45Å; I433-A441 HydrophobicContact CD1-CB 3.68Å; L437-A441 VanDerWaalsContact O-CB 3.29Å; L437-A441 WeakPolarHBondContact O-CB 3.5Å; L437-A441 PolarHBondContact O-N 3.34Å; K438-A441 PolarHBondContact O-N 3.44Å; E439-A441 PolarHBondContact O-N 3.44Å; A441-Q444 PolarHBondContact O-N 2.7Å; A441-G445 PolarHBondContact O-N 3.31Å; A441-Y446 WeakPolarHBondContact O-CB 3.06Å; A441-Y446 PolarHBondContact O-N 3.48Å; A441-V448 HydrophobicContact CB-CG2 3.54Å
442Q91.9Very high92.9Very high101 Ų10154.8 Ų54.847%0.47230%0.299SS..Hα-helixtrans-63.3-42.1175.7-72.2177.9-26.300112.2K438 E439 Q444 G445 V448K438-Q442 WeakPolarHBondContact O-CG 3.44Å; K438-Q442 PolarHBondContact O-N 3.46Å; E439-Q442 PolarHBondContact O-N 3.32Å; Q442-Q444 VanDerWaalsContact C-N 3.29Å; Q442-Q444 PolarHBondContact O-N 3.02Å; Q442-G445 PolarHBondContact O-N 3.42Å; Q442-V448 HydrophobicContact CG-CB 4.27Å; Q442-V448 HydrophobicContact CG-CG2 3.78Å
443I91.8Very high92.7Very high146 Ų14656 Ų5675%0.74931%0.307SS*.Hα-helixtrans-63.1-37.1175.9-68.8165000111.3E439 Q440 G445E439-I443 VanDerWaalsContact O-CG1 3.26Å; E439-I443 WeakPolarHBondContact O-CG1 3.48Å; E439-I443 PolarHBondContact O-N 2.97Å; Q440-I443 PolarHBondContact O-N 3.37Å; I443-G445 PolarHBondContact O-N 2.99Å
444Q92.3Very high92.7Very high43 Ų4355.9 Ų55.920%0.20131%0.307CS..THydrogen-bonded Turntrans-74.3-3.8175.9-73.5-179.3200113.7A412 A413 Q440 A441 Q442 Y446A412-Q444 CarbonylContact C-O 3.39Å; A412-Q444 WeakPolarHBondContact CA-O 3.41Å; A413-Q444 PolarHBondContact N-O 2.94Å; A413-Q444 WeakPolarHBondContact O-CB 3.44Å; A413-Q444 WeakPolarHBondContact O-CG 3.41Å; Q440-Q444 WeakPolarHBondContact O-CB 3.48Å; Q440-Q444 WeakPolarHBondContact O-CG 3.47Å; Q440-Q444 PolarHBondContact O-N 3.48Å; A441-Q444 PolarHBondContact O-N 2.7Å; Q442-Q444 VanDerWaalsContact C-N 3.29Å; Q442-Q444 PolarHBondContact O-N 3.02Å; Q444-Y446 HydrophobicContact CB-CD2 3.93Å; Q444-Y446 HydrophobicContact CB-CE2 4.12Å
445G90.5Very high92.7Very high28 Ų2850 Ų5029%0.28928%0.279SS..THydrogen-bonded Turntrans91.912.7176.800000115.2A441 Q442 I443A441-G445 PolarHBondContact O-N 3.31Å; Q442-G445 PolarHBondContact O-N 3.42Å; I443-G445 PolarHBondContact O-N 2.99Å
446Y93.3Very high92.9Very high15 Ų1546.8 Ų46.86%0.05926%0.257CS..  trans-79.1142.7172.4-69.7-96000111.5A406 I407 N408 A412 G414 L416 A441 Q444 V448A406-Y446 HydrophobicContact CB-CD1 3.88Å; A406-Y446 HydrophobicContact CB-CG 4.07Å; I407-Y446 WeakPolarHBondContact O-CA 3.42Å; N408-Y446 HydrophobicContact CB-CD1 4.09Å; N408-Y446 HydrophobicContact CB-CE1 3.77Å; A412-Y446 HydrophobicContact CB-CD1 4.15Å; A412-Y446 HydrophobicContact CB-CD2 3.69Å; A412-Y446 HydrophobicContact CB-CE1 4.09Å; A412-Y446 HydrophobicContact CB-CE2 3.61Å; A412-Y446 HydrophobicContact CB-CG 3.97Å; G414-Y446 PolarHBondContact O-OH 3.09Å; G414-Y446 VanDerWaalsContact O-OH 3.12Å; L416-Y446 HydrophobicContact CD1-CD1 4.39Å; L416-Y446 HydrophobicContact CD1-CD2 3.68Å; L416-Y446 HydrophobicContact CD1-CE1 4.42Å; L416-Y446 HydrophobicContact CD1-CE2 3.71Å; L416-Y446 HydrophobicContact CD1-CG 4.04Å; L416-Y446 HydrophobicContact CG-CD2 4.43Å; L416-Y446 HydrophobicContact CG-CE2 4.07Å; A441-Y446 WeakPolarHBondContact O-CB 3.06Å; A441-Y446 PolarHBondContact O-N 3.48Å; Q444-Y446 HydrophobicContact CB-CD2 3.93Å; Q444-Y446 HydrophobicContact CB-CE2 4.12Å; Y446-V448 PolarHBondContact O-N 3.4Å
447T93.1Very high92.9Very high76 Ų7644.6 Ų44.647%0.46624%0.235SC..EExtended strand (participates in β ladder)trans-84111.4167-60.10000108.5I407 V449I407-T447 PolarHBondContact N-O 2.85Å; I407-T447 PolarHBondContact O-N 3.2Å; T447-V449 HydrophobicContact CG2-CG1 4.37Å
448V93.9Very high93.1Very high16 Ų1643.5 Ų43.510%0.09723%0.229CC..EExtended strand (participates in β ladder)trans-101.9120.9-174.3-170.40000110.9W404 L405 A406 I433 K438 A441 Q442 Y446W404-V448 HydrophobicContact CB-CG1 3.82Å; W404-V448 HydrophobicContact CD2-CG1 4.37Å; W404-V448 HydrophobicContact CE3-CG1 3.89Å; W404-V448 HydrophobicContact CG-CG1 4.39Å; L405-V448 WeakPolarHBondContact O-CA 3.48Å; A406-V448 HydrophobicContact CB-CG2 4.4Å; I433-V448 HydrophobicContact CD1-CG1 4.22Å; K438-V448 HydrophobicContact CG-CB 4.43Å; K438-V448 HydrophobicContact CG-CG1 3.97Å; A441-V448 HydrophobicContact CB-CG2 3.54Å; Q442-V448 HydrophobicContact CG-CB 4.27Å; Q442-V448 HydrophobicContact CG-CG2 3.78Å; Y446-V448 PolarHBondContact O-N 3.4Å
449V93.9Very high93.3Very high31 Ų3140.6 Ų40.619%0.18822%0.216CC..EExtended strand (participates in β ladder)trans-131150.4-178-66.90000111.8W404 L405 I407 T447 T453 V454W404-V449 CarbonylContact C-O 3.58Å; W404-V449 WeakPolarHBondContact CA-O 3.4Å; L405-V449 HydrophobicContact CB-CG2 4.12Å; L405-V449 PolarHBondContact N-O 3.06Å; L405-V449 PolarHBondContact O-N 3.42Å; I407-V449 HydrophobicContact CD1-CG2 4Å; T447-V449 HydrophobicContact CG2-CG1 4.37Å; V449-T453 HydrophobicContact CB-CG2 4.07Å; V449-T453 HydrophobicContact CG1-CG2 4.2Å; V449-V454 HydrophobicContact CG2-CG2 3.64Å
450E93.3Very high93.4Very high54 Ų5435.2 Ų35.225%0.25219%0.192SC..EExtended strand (participates in β ladder)trans-73.1155.7177.4-65.6174.3158.400111.6R353 W404 S452 T453 V454R353-E450 IonicContact NH2-OE2 3.52Å; R353-E450 PolarHBondContact NH2-OE2 2.99Å; W404-E450 HydrophobicContact CD2-CG 3.92Å; W404-E450 HydrophobicContact CE3-CB 4.38Å; W404-E450 HydrophobicContact CE3-CG 3.53Å; W404-E450 VanDerWaalsContact CH2-CD 3.46Å; W404-E450 HydrophobicContact CH2-CG 3.14Å; W404-E450 WeakPolarHBondContact CH2-OE1 3.28Å; W404-E450 HydrophobicContact CZ2-CG 3.55Å; W404-E450 VanDerWaalsContact CZ2-OE1 3.26Å; W404-E450 WeakPolarHBondContact CZ2-OE1 2.82Å; W404-E450 HydrophobicContact CZ3-CB 4.34Å; W404-E450 HydrophobicContact CZ3-CG 3.16Å; E450-S452 VanDerWaalsContact C-N 3.26Å; E450-S452 PolarHBondContact O-N 3.48Å; E450-T453 WeakPolarHBondContact O-CA 3.39Å; E450-T453 WeakPolarHBondContact O-CB 3.22Å; E450-T453 PolarHBondContact O-N 2.96Å; E450-V454 WeakPolarHBondContact O-CG2 3.39Å; E450-V454 PolarHBondContact O-N 2.86Å
451A93.4Very high93.5Very high4 Ų434.3 Ų34.33%0.03319%0.187CC..Hα-helixtrans-52.4-41.5175.600000113.5M341 A399 Y400 R403 W432 T453 V454 V455M341-A451 HydrophobicContact CE-CB 4.17Å; A399-A451 HydrophobicContact CB-CB 4.45Å; Y400-A451 WeakPolarHBondContact O-CB 3.44Å; R403-A451 PolarHBondContact O-N 2.8Å; W432-A451 HydrophobicContact CH2-CB 3.88Å; W432-A451 HydrophobicContact CZ3-CB 3.89Å; A451-T453 VanDerWaalsContact C-N 3.26Å; A451-T453 PolarHBondContact O-N 3.39Å; A451-V454 PolarHBondContact O-N 2.94Å; A451-V455 WeakPolarHBondContact O-CG2 3.44Å; A451-V455 PolarHBondContact O-N 3.34Å
452S92.5Very high93.6Very high5 Ų534.6 Ų34.64%0.03519%0.189CC..Hα-helixtrans-62.1-34.9175.960.60000112M341 E349 L350 R353 E450 A456M341-S452 VanDerWaalsContact CE-N 3.34Å; E349-S452 PolarHBondContact OE2-OG 2.87Å; L350-S452 WeakPolarHBondContact CD1-O 3.26Å; R353-S452 PolarHBondContact NE-OG 3.17Å; E450-S452 VanDerWaalsContact C-N 3.26Å; E450-S452 PolarHBondContact O-N 3.48Å; S452-A456 WeakPolarHBondContact O-CB 3.39Å; S452-A456 PolarHBondContact O-N 2.98Å; S452-A456 VanDerWaalsContact O-N 3.1Å
453T92.5Very high93.7Very high30 Ų3029.8 Ų29.818%0.18417%0.167CC..Hα-helixtrans-73.5-35.2176.9-57.50000112R353 V449 E450 A451 A456 T457R353-T453 PolarHBondContact NH1-OG1 3.48Å; R353-T453 VanDerWaalsContact NH1-OG1 3.08Å; V449-T453 HydrophobicContact CB-CG2 4.07Å; V449-T453 HydrophobicContact CG1-CG2 4.2Å; E450-T453 WeakPolarHBondContact O-CA 3.39Å; E450-T453 WeakPolarHBondContact O-CB 3.22Å; E450-T453 PolarHBondContact O-N 2.96Å; A451-T453 VanDerWaalsContact C-N 3.26Å; A451-T453 PolarHBondContact O-N 3.39Å; T453-A456 PolarHBondContact O-N 3.22Å; T453-T457 VanDerWaalsContact O-CB 3.3Å; T453-T457 WeakPolarHBondContact O-CB 3.28Å; T453-T457 PolarHBondContact O-N 2.99Å; T453-T457 PolarHBondContact O-OG1 2.83Å
454V94.2Very high93.7Very high0 Ų024.8 Ų24.80%015%0.145CC..Hα-helixtrans-61.3-53175.1178.30000110.5L405 P424 W432 V449 E450 A451 A456 T457 H458L405-V454 HydrophobicContact CB-CG2 3.61Å; L405-V454 HydrophobicContact CD2-CB 4.42Å; L405-V454 HydrophobicContact CD2-CG1 3.91Å; L405-V454 HydrophobicContact CD2-CG2 3.55Å; L405-V454 HydrophobicContact CG-CG2 4.21Å; P424-V454 HydrophobicContact CG-CG1 3.83Å; W432-V454 HydrophobicContact CH2-CB 4.38Å; W432-V454 HydrophobicContact CH2-CG2 3.98Å; V449-V454 HydrophobicContact CG2-CG2 3.64Å; E450-V454 WeakPolarHBondContact O-CG2 3.39Å; E450-V454 PolarHBondContact O-N 2.86Å; A451-V454 PolarHBondContact O-N 2.94Å; V454-A456 VanDerWaalsContact C-N 3.32Å; V454-A456 PolarHBondContact O-N 3.41Å; V454-T457 PolarHBondContact O-N 2.82Å; V454-H458 PolarHBondContact O-N 3.29Å
455V95.4Very high93.7Very high3 Ų327.2 Ų27.22%0.01816%0.156CC..Hα-helixtrans-60.2-44.4179.3-1770000110.8M332 M341 L350 Y385 A399 A451 T457 H458 L459M332-V455 HydrophobicContact SD-CG1 3.94Å; M341-V455 HydrophobicContact CE-CG2 4.47Å; L350-V455 HydrophobicContact CD1-CB 4.08Å; L350-V455 HydrophobicContact CD1-CG1 4.14Å; L350-V455 HydrophobicContact CD2-CB 4.13Å; L350-V455 HydrophobicContact CD2-CG1 3.71Å; Y385-V455 HydrophobicContact CD1-CG1 4.44Å; Y385-V455 HydrophobicContact CD1-CG2 3.9Å; Y385-V455 HydrophobicContact CD2-CG1 3.97Å; Y385-V455 HydrophobicContact CE1-CB 4.44Å; Y385-V455 HydrophobicContact CE1-CG1 4.38Å; Y385-V455 HydrophobicContact CE1-CG2 3.63Å; Y385-V455 HydrophobicContact CE2-CG1 3.88Å; Y385-V455 HydrophobicContact CG-CG1 4.25Å; Y385-V455 HydrophobicContact CG-CG2 4.49Å; A399-V455 HydrophobicContact CB-CG2 3.71Å; A451-V455 WeakPolarHBondContact O-CG2 3.44Å; A451-V455 PolarHBondContact O-N 3.34Å; V455-T457 PolarHBondContact O-N 2.85Å; V455-H458 PolarHBondContact O-N 3.13Å; V455-L459 WeakPolarHBondContact O-CB 3.47Å; V455-L459 PolarHBondContact O-N 3.45Å
456A94.5Very high93.8Very high5 Ų527.5 Ų27.54%0.04115%0.15CC..Hα-helixtrans-61.3-43.4177.600000112.1L350 R353 I357 S452 T453 V454 L459 N460L350-A456 HydrophobicContact CD1-CB 3.96Å; R353-A456 HydrophobicContact CB-CB 3.93Å; I357-A456 HydrophobicContact CD1-CB 3.56Å; I357-A456 WeakPolarHBondContact CD1-O 3.37Å; S452-A456 WeakPolarHBondContact O-CB 3.39Å; S452-A456 PolarHBondContact O-N 2.98Å; S452-A456 VanDerWaalsContact O-N 3.1Å; T453-A456 PolarHBondContact O-N 3.22Å; V454-A456 VanDerWaalsContact C-N 3.32Å; V454-A456 PolarHBondContact O-N 3.41Å; A456-L459 PolarHBondContact O-N 3.44Å; A456-N460 WeakPolarHBondContact O-CB 3.31Å; A456-N460 PolarHBondContact O-N 2.83Å
457T94.1Very high93.9Very high47 Ų4726.8 Ų26.829%0.28815%0.147SC..Hα-helixtrans-66.2-42.3179.3-56.60000111.3A425 F426 T453 V454 V455 N460 H461A425-T457 HydrophobicContact CB-CG2 4Å; F426-T457 HydrophobicContact CE2-CG2 3.79Å; F426-T457 HydrophobicContact CZ-CG2 4.19Å; T453-T457 VanDerWaalsContact O-CB 3.3Å; T453-T457 WeakPolarHBondContact O-CB 3.28Å; T453-T457 PolarHBondContact O-N 2.99Å; T453-T457 PolarHBondContact O-OG1 2.83Å; V454-T457 PolarHBondContact O-N 2.82Å; V455-T457 PolarHBondContact O-N 2.85Å; T457-N460 PolarHBondContact O-N 2.85Å; T457-H461 PolarHBondContact O-N 2.72Å
458H96.2Very high93.9Very high9 Ų923.4 Ų23.44%0.04213%0.127CC..Hα-helixtrans-61.7-46174.9-175.9-158.2000111.8Y385 P424 A425 V454 V455 N460 H461 L462Y385-H458 AromaticContact CE2-ND1 3.5Å; Y385-H458 WeakPolarHBondContact CE2-ND1 3.34Å; Y385-H458 AromaticContact CZ-ND1 3.56Å; Y385-H458 PolarHBondContact OH-ND1 3.25Å; P424-H458 HydrophobicContact CB-CB 4.42Å; P424-H458 HydrophobicContact CG-CB 4.08Å; P424-H458 PolarHBondContact O-CD2 2.8Å; A425-H458 HydrophobicContact CB-CB 4.39Å; V454-H458 PolarHBondContact O-N 3.29Å; V455-H458 PolarHBondContact O-N 3.13Å; H458-N460 VanDerWaalsContact C-N 3.35Å; H458-N460 PolarHBondContact O-N 2.66Å; H458-H461 WeakPolarHBondContact O-CB 3.29Å; H458-H461 PolarHBondContact O-N 2.67Å; H458-L462 WeakPolarHBondContact O-CG 3.45Å; H458-L462 PolarHBondContact O-N 3.01Å
459L96Very high93.9Very high1 Ų127.1 Ų27.11%0.00514%0.143CC..Hα-helixtrans-59.2-44.7174.917967000112I354 V372 I387 V455 A456 H461 L462 I463I354-L459 HydrophobicContact CD1-CD2 4.26Å; I354-L459 HydrophobicContact CG1-CD2 3.76Å; I354-L459 HydrophobicContact CG2-CD2 4.33Å; V372-L459 HydrophobicContact CG2-CD2 4.22Å; I387-L459 HydrophobicContact CD1-CB 3.98Å; I387-L459 HydrophobicContact CD1-CD1 3.93Å; I387-L459 HydrophobicContact CG1-CD1 4.33Å; I387-L459 HydrophobicContact CG2-CD1 3.85Å; V455-L459 WeakPolarHBondContact O-CB 3.47Å; V455-L459 PolarHBondContact O-N 3.45Å; A456-L459 PolarHBondContact O-N 3.44Å; L459-H461 VanDerWaalsContact C-N 3.31Å; L459-H461 PolarHBondContact O-N 2.91Å; L459-L462 PolarHBondContact O-N 2.88Å; L459-I463 HydrophobicContact CD1-CD1 4.02Å; L459-I463 HydrophobicContact CD1-CG1 4.22Å; L459-I463 HydrophobicContact CD2-CD1 4.42Å; L459-I463 HydrophobicContact CG-CD1 3.82Å; L459-I463 HydrophobicContact CG-CG1 4.39Å; L459-I463 WeakPolarHBondContact O-CB 3.45Å; L459-I463 VanDerWaalsContact O-CG1 3.27Å; L459-I463 WeakPolarHBondContact O-CG1 3.47Å; L459-I463 PolarHBondContact O-N 3.38Å
460N94.9Very high93.9Very high37 Ų3726 Ų2620%0.19814%0.136CC..Hα-helixtrans-62.3-39.2177.4-175.355.5000112.2I357 A456 T457 H458 S464I357-N460 HydrophobicContact CD1-CB 4.15Å; I357-N460 HydrophobicContact CG1-CB 4.2Å; I357-N460 HydrophobicContact CG2-CB 3.8Å; I357-N460 WeakPolarHBondContact CG2-OD1 3.32Å; A456-N460 WeakPolarHBondContact O-CB 3.31Å; A456-N460 PolarHBondContact O-N 2.83Å; T457-N460 PolarHBondContact O-N 2.85Å; H458-N460 VanDerWaalsContact C-N 3.35Å; H458-N460 PolarHBondContact O-N 2.66Å; N460-S464 WeakPolarHBondContact O-CB 3.44Å; N460-S464 PolarHBondContact O-N 3.19Å; N460-S464 PolarHBondContact O-OG 3.26Å
461H93.6Very high94Very high69 Ų6923.5 Ų23.532%0.31912%0.124SC..Hα-helixtrans-60.6-50.5175.1-175.578000111A425 T457 H458 L459 S464 Q465A425-H461 HydrophobicContact CB-CB 4.21Å; A425-H461 PolarHBondContact O-CD2 3.02Å; A425-H461 PolarHBondContact O-NE2 3.06Å; T457-H461 PolarHBondContact O-N 2.72Å; H458-H461 WeakPolarHBondContact O-CB 3.29Å; H458-H461 PolarHBondContact O-N 2.67Å; L459-H461 VanDerWaalsContact C-N 3.31Å; L459-H461 PolarHBondContact O-N 2.91Å; H461-S464 WeakPolarHBondContact O-CB 3.49Å; H461-S464 PolarHBondContact O-N 3.06Å; H461-S464 VanDerWaalsContact O-N 3.16Å; H461-Q465 WeakPolarHBondContact O-CB 3.47Å; H461-Q465 PolarHBondContact O-N 2.9Å
462L94.4Very high94Very high6 Ų624.3 Ų24.33%0.03113%0.133CC..Hα-helixtrans-63.8-42.4179.4-70.3174.4000113.1I387 I394 H458 L459 S464 Q465 H466I387-L462 HydrophobicContact CB-CD1 3.97Å; I387-L462 HydrophobicContact CD1-CD1 3.61Å; I387-L462 HydrophobicContact CG1-CD1 4.37Å; I387-L462 HydrophobicContact CG2-CD1 4.08Å; I394-L462 HydrophobicContact CD1-CB 4.1Å; I394-L462 HydrophobicContact CD1-CD1 4.34Å; I394-L462 HydrophobicContact CG1-CD1 4.27Å; I394-L462 WeakPolarHBondContact O-CD2 3.37Å; H458-L462 WeakPolarHBondContact O-CG 3.45Å; H458-L462 PolarHBondContact O-N 3.01Å; L459-L462 PolarHBondContact O-N 2.88Å; L462-S464 PolarHBondContact O-N 3.42Å; L462-Q465 PolarHBondContact O-N 3.43Å; L462-H466 PolarHBondContact O-CD2 3.4Å; L462-H466 PolarHBondContact O-N 3.25Å
463I94.5Very high94.1Very high1 Ų130.2 Ų30.21%0.00516%0.155CC..Hα-helixtrans-58.7-40.8174.6-70.1170.5000110.4L330 I357 F361 P369 L459 A467 L470L330-I463 HydrophobicContact CD2-CD1 4Å; L330-I463 HydrophobicContact CD2-CG1 3.94Å; I357-I463 HydrophobicContact CG2-CD1 4.4Å; F361-I463 HydrophobicContact CD1-CG2 4.29Å; F361-I463 HydrophobicContact CD2-CG2 3.75Å; F361-I463 HydrophobicContact CE1-CG2 4.18Å; F361-I463 HydrophobicContact CE2-CG2 3.67Å; F361-I463 HydrophobicContact CG-CG2 4.05Å; F361-I463 HydrophobicContact CZ-CG2 3.86Å; P369-I463 HydrophobicContact CB-CG2 4.26Å; P369-I463 HydrophobicContact CG-CG2 3.97Å; L459-I463 HydrophobicContact CD1-CD1 4.02Å; L459-I463 HydrophobicContact CD1-CG1 4.22Å; L459-I463 HydrophobicContact CD2-CD1 4.42Å; L459-I463 HydrophobicContact CG-CD1 3.82Å; L459-I463 HydrophobicContact CG-CG1 4.39Å; L459-I463 WeakPolarHBondContact O-CB 3.45Å; L459-I463 VanDerWaalsContact O-CG1 3.27Å; L459-I463 WeakPolarHBondContact O-CG1 3.47Å; L459-I463 PolarHBondContact O-N 3.38Å; I463-A467 WeakPolarHBondContact O-CA 3.49Å; I463-A467 PolarHBondContact O-N 3.11Å; I463-L470 HydrophobicContact CB-CD1 4.29Å; I463-L470 HydrophobicContact CG1-CD1 4.28Å; I463-L470 HydrophobicContact CG2-CD1 3.99Å
464S92Very high94.1Very high41 Ų4135 Ų3529%0.28718%0.175SC..Hα-helixtrans-70.3-35.8178-55.60000112.7N460 H461 L462 K515N460-S464 WeakPolarHBondContact O-CB 3.44Å; N460-S464 PolarHBondContact O-N 3.19Å; N460-S464 PolarHBondContact O-OG 3.26Å; H461-S464 WeakPolarHBondContact O-CB 3.49Å; H461-S464 PolarHBondContact O-N 3.06Å; H461-S464 VanDerWaalsContact O-N 3.16Å; L462-S464 PolarHBondContact O-N 3.42Å; S464-K515 PolarHBondContact O-NZ 2.67Å
465Q91.1Very high94.2Very high93 Ų9336.2 Ų36.244%0.43518%0.18SC..Hα-helixtrans-66.5-45.7176.3-172172.50.300111.4H461 L462 K515H461-Q465 WeakPolarHBondContact O-CB 3.47Å; H461-Q465 PolarHBondContact O-N 2.9Å; L462-Q465 PolarHBondContact O-N 3.43Å; Q465-K515 PolarHBondContact O-NZ 2.98Å
466H93.4Very high94.2Very high34 Ų3436 Ų3616%0.15718%0.18CC..THydrogen-bonded Turntrans-99.720.1-175.7-64-78.5000114.4M389 L462 A468 E469 L470M389-H466 HydrophobicContact CE-CB 4.27Å; M389-H466 HydrophobicContact SD-CB 3.98Å; L462-H466 PolarHBondContact O-CD2 3.4Å; L462-H466 PolarHBondContact O-N 3.25Å; H466-A468 PolarHBondContact O-N 3.44Å; H466-A468 VanDerWaalsContact O-N 3.12Å; H466-E469 IonicContact CE1-OE1 2.68Å; H466-E469 IonicContact CG-OE1 3.58Å; H466-E469 IonicContact ND1-OE1 3.4Å; H466-E469 PolarHBondContact ND1-OE1 3.4Å; H466-E469 PolarHBondContact O-N 3.46Å; H466-L470 PolarHBondContact O-N 3.1Å
467A94.2Very high94.2Very high0 Ų039 Ų390%019%0.193CC..Hα-helixtrans-52.3-39.1-176.400000113.7F361 F367 I463 F471F361-A467 HydrophobicContact CZ-CB 3.86Å; F367-A467 HydrophobicContact CE1-CB 4.42Å; F367-A467 HydrophobicContact CZ-CB 4.48Å; I463-A467 WeakPolarHBondContact O-CA 3.49Å; I463-A467 PolarHBondContact O-N 3.11Å; A467-F471 WeakPolarHBondContact O-CB 3.23Å; A467-F471 PolarHBondContact O-N 3.34Å; A467-F471 VanDerWaalsContact O-N 3.16Å
468A94.4Very high94.3Very high6 Ų641.6 Ų41.65%0.0520%0.201CC..Hα-helixtrans-67.7-34.1178.600000113.2H466 Q509 L512 D513H466-A468 PolarHBondContact O-N 3.44Å; H466-A468 VanDerWaalsContact O-N 3.12Å; A468-Q509 HydrophobicContact CB-CG 4.08Å; A468-Q509 WeakPolarHBondContact O-CG 3.31Å; A468-Q509 PolarHBondContact O-NE2 2.95Å; A468-L512 HydrophobicContact CB-CB 4.35Å; A468-D513 HydrophobicContact CB-CB 3.63Å
469E93.7Very high94.2Very high94 Ų9442.2 Ų42.244%0.43921%0.205SC..Hα-helixtrans-79.8-29.5-179.6-64.5-177.5-109.500112.6M389 K390 H466 F471M389-E469 HydrophobicContact CE-CB 3.93Å; M389-E469 HydrophobicContact CE-CG 4.41Å; M389-E469 WeakPolarHBondContact CE-OE2 3.47Å; M389-E469 HydrophobicContact SD-CB 3.9Å; K390-E469 PolarHBondContact NZ-O 3.47Å; H466-E469 IonicContact CE1-OE1 2.68Å; H466-E469 IonicContact CG-OE1 3.58Å; H466-E469 IonicContact ND1-OE1 3.4Å; H466-E469 PolarHBondContact ND1-OE1 3.4Å; H466-E469 PolarHBondContact O-N 3.46Å; E469-F471 VanDerWaalsContact C-N 3.31Å
470L93.9Very high94.2Very high8 Ų842.7 Ų42.74%0.04221%0.208CC..Hα-helixtrans-74.9-19.8172.4-69.9172.3000112.8L330 P370 M389 I463 H466 G472L330-L470 HydrophobicContact CB-CD2 4.24Å; L330-L470 HydrophobicContact CD1-CD2 4.3Å; L330-L470 HydrophobicContact CD2-CD2 4.46Å; P370-L470 HydrophobicContact CG-CD2 4.48Å; M389-L470 HydrophobicContact CG-CD2 4.24Å; M389-L470 HydrophobicContact SD-CD2 3.99Å; M389-L470 HydrophobicContact SD-CG 4.18Å; I463-L470 HydrophobicContact CB-CD1 4.29Å; I463-L470 HydrophobicContact CG1-CD1 4.28Å; I463-L470 HydrophobicContact CG2-CD1 3.99Å; H466-L470 PolarHBondContact O-N 3.1Å; L470-G472 PolarHBondContact O-N 3.29Å
471F95.9Very high94.2Very high0 Ų044.5 Ų44.50%022%0.217CC..  trans-91.493.8178.2-166.7-100000110.8F367 A467 E469 E475 A476 L479 H505 L508 L512 I518F367-F471 HydrophobicContact CB-CD2 3.93Å; F367-F471 HydrophobicContact CB-CE2 3.7Å; F367-F471 AromaticContact CD1-CD2 3.89Å; F367-F471 HydrophobicContact CD1-CD2 3.89Å; F367-F471 HydrophobicContact CD1-CE2 4.38Å; F367-F471 AromaticContact CD2-CD2 3.56Å; F367-F471 HydrophobicContact CD2-CD2 3.56Å; F367-F471 HydrophobicContact CD2-CE2 4.17Å; F367-F471 HydrophobicContact CE1-CD2 4.24Å; F367-F471 HydrophobicContact CE2-CB 4.31Å; F367-F471 AromaticContact CE2-CD2 3.93Å; F367-F471 HydrophobicContact CE2-CD2 3.93Å; F367-F471 AromaticContact CG-CD2 3.51Å; F367-F471 HydrophobicContact CG-CD2 3.51Å; F367-F471 AromaticContact CG-CE2 3.84Å; F367-F471 HydrophobicContact CG-CE2 3.84Å; F367-F471 HydrophobicContact CZ-CB 4.17Å; F367-F471 HydrophobicContact CZ-CD2 4.26Å; A467-F471 WeakPolarHBondContact O-CB 3.23Å; A467-F471 PolarHBondContact O-N 3.34Å; A467-F471 VanDerWaalsContact O-N 3.16Å; E469-F471 VanDerWaalsContact C-N 3.31Å; F471-E475 HydrophobicContact CD2-CB 3.69Å; F471-E475 HydrophobicContact CE2-CB 3.78Å; F471-E475 HydrophobicContact CG-CB 4.4Å; F471-A476 HydrophobicContact CE1-CB 3.88Å; F471-A476 HydrophobicContact CZ-CB 3.93Å; F471-L479 HydrophobicContact CE2-CD2 4.31Å; F471-L479 HydrophobicContact CZ-CD2 4.15Å; F471-H505 AromaticContact CD1-CD2 3.82Å; F471-H505 PolarHBondContact O-NE2 3.18Å; F471-L508 HydrophobicContact CD1-CB 4.29Å; F471-L508 HydrophobicContact CE1-CB 3.53Å; F471-L508 HydrophobicContact CE1-CD1 3.91Å; F471-L508 HydrophobicContact CE1-CG 4.4Å; F471-L508 HydrophobicContact CZ-CB 4.1Å; F471-L508 HydrophobicContact CZ-CD1 3.79Å; F471-L512 HydrophobicContact CB-CD1 3.48Å; F471-L512 VanDerWaalsContact CB-CD1 3.48Å; F471-L512 HydrophobicContact CD1-CD1 3.92Å; F471-L512 HydrophobicContact CD2-CD1 3.83Å; F471-L512 HydrophobicContact CG-CD1 3.46Å; F471-L512 VanDerWaalsContact CG-CD1 3.46Å; F471-I518 HydrophobicContact CD2-CD1 4.45Å; F471-I518 HydrophobicContact CE1-CD1 4.49Å; F471-I518 HydrophobicContact CE2-CD1 3.88Å; F471-I518 HydrophobicContact CZ-CD1 3.9Å
472G93.8Very high94.2Very high21 Ų2147.4 Ų47.422%0.21623%0.225CC..  trans-93.2-173.817700000113.5L470 Q474 E475 A476 H505L470-G472 PolarHBondContact O-N 3.29Å; G472-Q474 VanDerWaalsContact C-N 3.27Å; G472-Q474 PolarHBondContact O-N 3.32Å; G472-E475 WeakPolarHBondContact CA-OE2 3.28Å; G472-E475 PolarHBondContact N-OE2 3Å; G472-E475 PolarHBondContact O-N 2.9Å; G472-A476 PolarHBondContact O-N 3.44Å; G472-A476 VanDerWaalsContact O-N 3.08Å; G472-H505 PolarHBondContact O-CD2 2.9Å
473R93.6Very high94.2Very high129 Ų12947.9 Ų47.949%0.48723%0.228SC..Hα-helixtrans-65.7-32176.3-172.6-175.5172.998.9-2.9111.9A476 Q477 L501 T502R473-A476 PolarHBondContact O-N 3.01Å; R473-Q477 PolarHBondContact O-N 2.87Å; R473-L501 HydrophobicContact CG-CD2 3.78Å; R473-L501 HydrophobicContact CG-CG 4.09Å; R473-T502 PolarHBondContact NH1-OG1 2.88Å
474Q93Very high94.2Very high130 Ų13049.2 Ų49.261%0.60724%0.24SC*.Hα-helixtrans-66.9-46177.6-177.1173.5-600111G472 A476 Q477 Q478G472-Q474 VanDerWaalsContact C-N 3.27Å; G472-Q474 PolarHBondContact O-N 3.32Å; Q474-A476 VanDerWaalsContact C-N 3.31Å; Q474-A476 PolarHBondContact O-N 3Å; Q474-Q477 PolarHBondContact O-N 3.19Å; Q474-Q478 WeakPolarHBondContact O-CG 3.28Å; Q474-Q478 PolarHBondContact O-N 2.84Å
475E94.9Very high94.3Very high26 Ų2654.6 Ų54.612%0.12126%0.26CS..Hα-helixtrans-63.9-38.7176.6-67.164.9-141.300111F471 G472 Q478 L479F471-E475 HydrophobicContact CD2-CB 3.69Å; F471-E475 HydrophobicContact CE2-CB 3.78Å; F471-E475 HydrophobicContact CG-CB 4.4Å; G472-E475 WeakPolarHBondContact CA-OE2 3.28Å; G472-E475 PolarHBondContact N-OE2 3Å; G472-E475 PolarHBondContact O-N 2.9Å; E475-Q478 PolarHBondContact O-N 3Å; E475-L479 WeakPolarHBondContact O-CB 3.5Å; E475-L479 PolarHBondContact O-N 3.27Å
476A96.1Very high94.4Very high0 Ų056.5 Ų56.50%027%0.269CS..Hα-helixtrans-61.8-43.1173.900000112.4F471 G472 R473 Q474 L479 L480 L501 H505F471-A476 HydrophobicContact CE1-CB 3.88Å; F471-A476 HydrophobicContact CZ-CB 3.93Å; G472-A476 PolarHBondContact O-N 3.44Å; G472-A476 VanDerWaalsContact O-N 3.08Å; R473-A476 PolarHBondContact O-N 3.01Å; Q474-A476 VanDerWaalsContact C-N 3.31Å; Q474-A476 PolarHBondContact O-N 3Å; A476-L479 PolarHBondContact O-N 3.45Å; A476-L480 WeakPolarHBondContact O-CB 2.98Å; A476-L480 PolarHBondContact O-N 3.49Å; A476-L501 HydrophobicContact CB-CD1 4.25Å; A476-H505 HydrophobicContact CB-CB 3.86Å
477Q95.5Very high94.4Very high67 Ų6757 Ų5731%0.31327%0.272SS..Hα-helixtrans-64.6-46.8175.7-176.262.449.300111.3R473 Q474 L479 L480 D481 L501R473-Q477 PolarHBondContact O-N 2.87Å; Q474-Q477 PolarHBondContact O-N 3.19Å; Q477-L479 VanDerWaalsContact C-N 3.29Å; Q477-L479 PolarHBondContact O-N 2.82Å; Q477-L480 WeakPolarHBondContact O-CB 3.37Å; Q477-L480 PolarHBondContact O-N 3.48Å; Q477-L480 VanDerWaalsContact O-N 3.13Å; Q477-D481 PolarHBondContact NE2-OD1 2.99Å; Q477-D481 PolarHBondContact O-N 3.42Å; Q477-L501 HydrophobicContact CB-CD2 4.25Å; Q477-L501 VanDerWaalsContact OE1-CD2 3.25Å
478Q95.1Very high94.3Very high101 Ų10159.8 Ų59.847%0.47229%0.291SS..Hα-helixtrans-61.6-38.5179-72.1176.7-5.400112.2Q474 E475 R482Q474-Q478 WeakPolarHBondContact O-CG 3.28Å; Q474-Q478 PolarHBondContact O-N 2.84Å; E475-Q478 PolarHBondContact O-N 3Å; Q478-R482 WeakPolarHBondContact O-CB 3.37Å; Q478-R482 PolarHBondContact O-N 3.31Å
479L94.9Very high94.1Very high23 Ų2368.2 Ų68.212%0.1233%0.326CS..Hα-helixtrans-65.1-44.2174.3-179.357.7000111F471 E475 A476 Q477 R482 V483 L508 I518 M521F471-L479 HydrophobicContact CE2-CD2 4.31Å; F471-L479 HydrophobicContact CZ-CD2 4.15Å; E475-L479 WeakPolarHBondContact O-CB 3.5Å; E475-L479 PolarHBondContact O-N 3.27Å; A476-L479 PolarHBondContact O-N 3.45Å; Q477-L479 VanDerWaalsContact C-N 3.29Å; Q477-L479 PolarHBondContact O-N 2.82Å; L479-R482 PolarHBondContact O-N 3.24Å; L479-V483 WeakPolarHBondContact O-CG2 3.31Å; L479-V483 PolarHBondContact O-N 3.47Å; L479-L508 HydrophobicContact CD2-CD1 4.16Å; L479-I518 HydrophobicContact CD2-CD1 3.75Å; L479-I518 HydrophobicContact CD2-CG1 4.43Å; L479-M521 HydrophobicContact CD1-CG 4.29Å; L479-M521 HydrophobicContact CD2-CE 4.26Å; L479-M521 HydrophobicContact CD2-CG 4.26Å; L479-M521 HydrophobicContact CD2-SD 3.79Å; L479-M521 HydrophobicContact CG-CE 4.41Å; L479-M521 HydrophobicContact CG-CG 4.33Å; L479-M521 HydrophobicContact CG-SD 4.33Å
480L95Very high93.8Very high11 Ų1165.1 Ų65.16%0.05831%0.312CS..Hα-helixtrans-60.6-44.9176.3-175.666.5000111.7A476 Q477 R482 V483 A484 T491 V495 L504A476-L480 WeakPolarHBondContact O-CB 2.98Å; A476-L480 PolarHBondContact O-N 3.49Å; Q477-L480 WeakPolarHBondContact O-CB 3.37Å; Q477-L480 PolarHBondContact O-N 3.48Å; Q477-L480 VanDerWaalsContact O-N 3.13Å; L480-R482 VanDerWaalsContact C-N 3.32Å; L480-R482 PolarHBondContact O-N 2.91Å; L480-V483 PolarHBondContact O-N 2.86Å; L480-V483 VanDerWaalsContact O-N 3.16Å; L480-A484 WeakPolarHBondContact O-CB 3.21Å; L480-A484 PolarHBondContact O-N 2.95Å; L480-T491 HydrophobicContact CD1-CG2 3.67Å; L480-V495 HydrophobicContact CD2-CB 3.84Å; L480-V495 HydrophobicContact CD2-CG1 3.86Å; L480-V495 HydrophobicContact CD2-CG2 4.23Å; L480-L504 HydrophobicContact CD1-CD2 4.15Å; L480-L504 HydrophobicContact CD2-CD2 4.47Å
481D94.9Very high93.6Very high75 Ų7565.5 Ų65.540%0.40132%0.315SS..Hα-helixtrans-61.1-41.1177.5-64.4-22.6000111.4Q477 V483 A484 Q485Q477-D481 PolarHBondContact NE2-OD1 2.99Å; Q477-D481 PolarHBondContact O-N 3.42Å; D481-V483 VanDerWaalsContact C-N 3.34Å; D481-V483 PolarHBondContact O-N 3.27Å; D481-A484 PolarHBondContact O-N 2.99Å; D481-Q485 WeakPolarHBondContact O-CG 3.39Å; D481-Q485 PolarHBondContact O-N 3.08Å; D481-Q485 VanDerWaalsContact O-N 3.07Å
482R94.6Very high93.2Very high129 Ų12971.3 Ų71.349%0.48734%0.342SS..Hα-helixtrans-65.5-36.7176.3177.559.4-174.781.84.1112.3Q478 L479 L480 E486Q478-R482 WeakPolarHBondContact O-CB 3.37Å; Q478-R482 PolarHBondContact O-N 3.31Å; L479-R482 PolarHBondContact O-N 3.24Å; L480-R482 VanDerWaalsContact C-N 3.32Å; L480-R482 PolarHBondContact O-N 2.91Å; R482-E486 IonicContact CZ-OE2 2.82Å; R482-E486 IonicContact NH1-OE2 3.71Å; R482-E486 PolarHBondContact NH1-OE2 3.15Å; R482-E486 IonicContact NH2-OE2 3.86Å; R482-E486 PolarHBondContact NH2-OE2 3.32Å; R482-E486 VanDerWaalsContact NH2-OE2 3.1Å
483V94.3Very high92.6Very high16 Ų1677.1 Ų77.110%0.09737%0.368CS..Hα-helixtrans-69.5-41.9174.3175.10000110.2L479 L480 D481 Q485 E486 M487 T491 M521 L525L479-V483 WeakPolarHBondContact O-CG2 3.31Å; L479-V483 PolarHBondContact O-N 3.47Å; L480-V483 PolarHBondContact O-N 2.86Å; L480-V483 VanDerWaalsContact O-N 3.16Å; D481-V483 VanDerWaalsContact C-N 3.34Å; D481-V483 PolarHBondContact O-N 3.27Å; V483-Q485 VanDerWaalsContact C-N 3.26Å; V483-Q485 PolarHBondContact O-N 3Å; V483-E486 PolarHBondContact O-N 3.03Å; V483-M487 HydrophobicContact CG1-CB 4.49Å; V483-M487 PolarHBondContact O-N 3.07Å; V483-T491 HydrophobicContact CB-CG2 4.36Å; V483-T491 HydrophobicContact CG1-CG2 3.92Å; V483-M521 HydrophobicContact CG2-CB 3.72Å; V483-M521 HydrophobicContact CG2-CG 3.91Å; V483-L525 HydrophobicContact CG1-CD1 3.87Å
484A94.1Very high92.3Very high30 Ų3071.4 Ų71.425%0.24835%0.347CS..Hα-helixtrans-60.9-33.9178.300000112.7L480 D481 E486 P488 T491L480-A484 WeakPolarHBondContact O-CB 3.21Å; L480-A484 PolarHBondContact O-N 2.95Å; D481-A484 PolarHBondContact O-N 2.99Å; A484-E486 VanDerWaalsContact C-N 3.28Å; A484-E486 PolarHBondContact O-N 3.43Å; A484-P488 WeakPolarHBondContact O-CA 3.46Å; A484-P488 WeakPolarHBondContact O-CB 3.41Å; A484-P488 VanDerWaalsContact O-CD 3.31Å; A484-P488 WeakPolarHBondContact O-CD 3.42Å; A484-T491 WeakPolarHBondContact CA-OG1 3.34Å; A484-T491 HydrophobicContact CB-CG2 4.07Å; A484-T491 VanDerWaalsContact CB-OG1 3.27Å; A484-T491 WeakPolarHBondContact CB-OG1 3.4Å
485Q94.4Very high92Very high153 Ų15366.4 Ų66.472%0.71533%0.325SS*.Hα-helixtrans-63-32.5173.6-73.2173.34.100113.3D481 V483D481-Q485 WeakPolarHBondContact O-CG 3.39Å; D481-Q485 PolarHBondContact O-N 3.08Å; D481-Q485 VanDerWaalsContact O-N 3.07Å; V483-Q485 VanDerWaalsContact C-N 3.26Å; V483-Q485 PolarHBondContact O-N 3Å
486E93.5Very high91.5Very high134 Ų13470.3 Ų70.363%0.62635%0.353SS*.Hα-helixtrans-98.2-32.5-175.6-167.1169.2158.100112.5R482 V483 A484R482-E486 IonicContact CZ-OE2 2.82Å; R482-E486 IonicContact NH1-OE2 3.71Å; R482-E486 PolarHBondContact NH1-OE2 3.15Å; R482-E486 IonicContact NH2-OE2 3.86Å; R482-E486 PolarHBondContact NH2-OE2 3.32Å; R482-E486 VanDerWaalsContact NH2-OE2 3.1Å; V483-E486 PolarHBondContact O-N 3.03Å; A484-E486 VanDerWaalsContact C-N 3.28Å; A484-E486 PolarHBondContact O-N 3.43Å
487M93.2Very high90.8Very high43 Ų4373.4 Ų73.421%0.21239%0.385CS..  trans-139.162.1-174-61.3-169.66700111.3V483 K489 L490 R522V483-M487 HydrophobicContact CG1-CB 4.49Å; V483-M487 PolarHBondContact O-N 3.07Å; M487-K489 VanDerWaalsContact C-N 3.3Å; M487-K489 PolarHBondContact O-N 2.91Å; M487-L490 HydrophobicContact CB-CB 4.22Å; M487-L490 HydrophobicContact CE-CD2 3.94Å; M487-L490 WeakPolarHBondContact O-CB 3.2Å; M487-L490 PolarHBondContact O-N 3.23Å; M487-L490 HydrophobicContact SD-CD2 4.39Å; M487-R522 HydrophobicContact CE-CB 4.48Å; M487-R522 HydrophobicContact CE-CG 4.01Å; M487-R522 HydrophobicContact SD-CB 4.29Å; M487-R522 HydrophobicContact SD-CG 4.45Å; M487-R522 PolarHBondContact SD-NH2 2.83Å; M487-R522 VanDerWaalsContact SD-NH2 3.39Å
488P91.6Very high90.5Very high60 Ų6073.1 Ų73.139%0.3939%0.388SS..Hα-helixtrans-58.1-40.4-171.220.5-32.1000113A484 L490 T491 E492A484-P488 WeakPolarHBondContact O-CA 3.46Å; A484-P488 WeakPolarHBondContact O-CB 3.41Å; A484-P488 VanDerWaalsContact O-CD 3.31Å; A484-P488 WeakPolarHBondContact O-CD 3.42Å; P488-L490 PolarHBondContact O-N 3.43Å; P488-L490 VanDerWaalsContact O-N 3.15Å; P488-T491 PolarHBondContact O-N 2.79Å; P488-T491 PolarHBondContact O-OG1 2.82Å; P488-E492 WeakPolarHBondContact O-CB 3.34Å; P488-E492 WeakPolarHBondContact O-CG 3.45Å; P488-E492 PolarHBondContact O-N 3Å
489K90.4Very high90.4Very high182 Ų18268.7 Ų68.779%0.79137%0.367SS*.Hα-helixtrans-63.6-20.2179.4-65.8-170.8176.9-173.80114.7M487M487-K489 VanDerWaalsContact C-N 3.3Å; M487-K489 PolarHBondContact O-N 2.91Å
490L87.8Confident90.3Very high29 Ų2970.8 Ų70.815%0.15238%0.381CS..Hα-helixtrans-83.7-25.3177.7-174.262000111.5M487 P488 R522 L525 E526M487-L490 HydrophobicContact CB-CB 4.22Å; M487-L490 HydrophobicContact CE-CD2 3.94Å; M487-L490 WeakPolarHBondContact O-CB 3.2Å; M487-L490 PolarHBondContact O-N 3.23Å; M487-L490 HydrophobicContact SD-CD2 4.39Å; P488-L490 PolarHBondContact O-N 3.43Å; P488-L490 VanDerWaalsContact O-N 3.15Å; L490-R522 HydrophobicContact CD2-CB 4.38Å; L490-R522 HydrophobicContact CD2-CG 4.2Å; L490-L525 HydrophobicContact CD1-CB 4.31Å; L490-L525 HydrophobicContact CD2-CB 3.96Å; L490-L525 HydrophobicContact CD2-CD1 4.14Å; L490-L525 HydrophobicContact CG-CB 3.96Å; L490-L525 HydrophobicContact CG-CD1 4.17Å; L490-E526 HydrophobicContact CD1-CG 3.66Å
491T89.7Confident90.3Very high16 Ų1671 Ų7110%0.09838%0.383CS..Hα-helixtrans-97.4-29-179.353.30000112.8L480 V483 A484 P488 D493 L494 L525L480-T491 HydrophobicContact CD1-CG2 3.67Å; V483-T491 HydrophobicContact CB-CG2 4.36Å; V483-T491 HydrophobicContact CG1-CG2 3.92Å; A484-T491 WeakPolarHBondContact CA-OG1 3.34Å; A484-T491 HydrophobicContact CB-CG2 4.07Å; A484-T491 VanDerWaalsContact CB-OG1 3.27Å; A484-T491 WeakPolarHBondContact CB-OG1 3.4Å; P488-T491 PolarHBondContact O-N 2.79Å; P488-T491 PolarHBondContact O-OG1 2.82Å; T491-D493 PolarHBondContact O-N 3.16Å; T491-L494 PolarHBondContact O-N 2.83Å; T491-L525 HydrophobicContact CG2-CD1 4.06Å
492E86.8Confident90.3Very high123 Ų12371.1 Ų71.158%0.57539%0.386SS*.THydrogen-bonded Turntrans-53.5130.2171.8-80.7171.8-172.500109.8P488 L494P488-E492 WeakPolarHBondContact O-CB 3.34Å; P488-E492 WeakPolarHBondContact O-CG 3.45Å; P488-E492 PolarHBondContact O-N 3Å; E492-L494 PolarHBondContact O-N 3.12Å
493D81.2Confident90.3Very high142 Ų14266.2 Ų66.276%0.75937%0.371SS*.THydrogen-bonded Turntrans61.6-12.1-178.2-53.9-34.5000116.9T491 G497 V498T491-D493 PolarHBondContact O-N 3.16Å; D493-G497 VanDerWaalsContact O-CA 3.28Å; D493-G497 WeakPolarHBondContact O-CA 3.45Å; D493-V498 PolarHBondContact O-N 3.34Å
494L87.1Confident90.4Very high9 Ų965.5 Ų65.55%0.04737%0.366CS..Iπ-helixtrans-71.6-53.4177.7-173.371.3000111.7T491 E492 G497 V498 V499 L525 A529T491-L494 PolarHBondContact O-N 2.83Å; E492-L494 PolarHBondContact O-N 3.12Å; L494-G497 PolarHBondContact O-N 2.78Å; L494-V498 HydrophobicContact CD1-CB 4.07Å; L494-V498 HydrophobicContact CD1-CG1 4.34Å; L494-V498 HydrophobicContact CD1-CG2 4.49Å; L494-V498 PolarHBondContact O-N 2.96Å; L494-V499 HydrophobicContact CD1-CG2 4.25Å; L494-V499 PolarHBondContact O-N 3.27Å; L494-L525 HydrophobicContact CD2-CB 3.72Å; L494-L525 HydrophobicContact CD2-CD1 4.3Å; L494-L525 HydrophobicContact CD2-CD2 3.69Å; L494-L525 HydrophobicContact CD2-CG 4.07Å; L494-A529 HydrophobicContact CD1-CB 3.51Å
495V87.5Confident90.5Very high25 Ų2565.5 Ų65.515%0.15236%0.361CS..Iπ-helixtrans-121.5121.6178.4-178.60000109L480 V499 L501 L504L480-V495 HydrophobicContact CD2-CB 3.84Å; L480-V495 HydrophobicContact CD2-CG1 3.86Å; L480-V495 HydrophobicContact CD2-CG2 4.23Å; V495-V499 WeakPolarHBondContact CA-O 3.43Å; V495-V499 HydrophobicContact CG2-CB 4.48Å; V495-L501 HydrophobicContact CG1-CB 4.15Å; V495-L504 HydrophobicContact CG2-CD2 4.07Å
496P82.8Confident90.7Very high109 Ų10961.7 Ų61.771%0.70834%0.342SS*.Iπ-helixcis-90.45.86.836.1-35.9000115.3V499P496-V499 CarbonylContact C-O 3.27Å; P496-V499 WeakPolarHBondContact CA-O 3.36Å
497G83.2Confident90.9Very high65 Ų6555.3 Ų55.367%0.6731%0.312SS*.Iπ-helixtrans-66.6-53-166.400000115.3D493 L494D493-G497 VanDerWaalsContact O-CA 3.28Å; D493-G497 WeakPolarHBondContact O-CA 3.45Å; L494-G497 PolarHBondContact O-N 2.78Å
498V88.7Confident91.1Very high61 Ų6153.3 Ų53.337%0.3730%0.302SS..Iπ-helixtrans-91.1-39.3177.5179.10000111.3D493 L494 A532 P533D493-V498 PolarHBondContact O-N 3.34Å; L494-V498 HydrophobicContact CD1-CB 4.07Å; L494-V498 HydrophobicContact CD1-CG1 4.34Å; L494-V498 HydrophobicContact CD1-CG2 4.49Å; L494-V498 PolarHBondContact O-N 2.96Å; V498-A532 HydrophobicContact CG1-CB 4.06Å; V498-P533 HydrophobicContact CG1-CG 3.89Å
499V92.5Very high91.4Very high7 Ų752.3 Ų52.34%0.04229%0.292CS..SBendtrans-131.6134.3-175.8-165.30000109.3L494 V495 P496 T503 L528 A532L494-V499 HydrophobicContact CD1-CG2 4.25Å; L494-V499 PolarHBondContact O-N 3.27Å; V495-V499 WeakPolarHBondContact CA-O 3.43Å; V495-V499 HydrophobicContact CG2-CB 4.48Å; P496-V499 CarbonylContact C-O 3.27Å; P496-V499 WeakPolarHBondContact CA-O 3.36Å; V499-T503 HydrophobicContact CG1-CG2 3.63Å; V499-L528 HydrophobicContact CG2-CB 4.34Å; V499-A532 HydrophobicContact CG2-CB 3.49Å; V499-A532 VanDerWaalsContact CG2-CB 3.49Å
500T93.1Very high91.6Very high67 Ų6744.6 Ų44.641%0.41126%0.26SS..  trans-73152.417375.80000110.9T502 T503 L504T500-T502 PolarHBondContact O-N 2.87Å; T500-T502 VanDerWaalsContact O-N 3.15Å; T500-T502 PolarHBondContact OG1-N 2.92Å; T500-T503 PolarHBondContact O-N 2.94Å; T500-T503 PolarHBondContact OG1-N 2.94Å; T500-T503 VanDerWaalsContact OG1-N 3.08Å; T500-T503 PolarHBondContact OG1-OG1 3.44Å; T500-L504 PolarHBondContact O-N 3.34Å
501L94.2Very high92.1Very high17 Ų1743.2 Ų43.29%0.08925%0.253CS..Hα-helixtrans-56.2-31.6172.3-179.663.5000112R473 A476 Q477 V495 H505R473-L501 HydrophobicContact CG-CD2 3.78Å; R473-L501 HydrophobicContact CG-CG 4.09Å; A476-L501 HydrophobicContact CB-CD1 4.25Å; Q477-L501 HydrophobicContact CB-CD2 4.25Å; Q477-L501 VanDerWaalsContact OE1-CD2 3.25Å; V495-L501 HydrophobicContact CG1-CB 4.15Å; L501-H505 WeakPolarHBondContact O-CB 3.43Å; L501-H505 PolarHBondContact O-N 3.07Å
502T94.8Very high92.3Very high77 Ų7742.5 Ų42.547%0.47225%0.248SC..Hα-helixtrans-64.1-46.2175.4-49.90000111.4R473 T500 H505 K506R473-T502 PolarHBondContact NH1-OG1 2.88Å; T500-T502 PolarHBondContact O-N 2.87Å; T500-T502 VanDerWaalsContact O-N 3.15Å; T500-T502 PolarHBondContact OG1-N 2.92Å; T502-H505 PolarHBondContact O-N 2.91Å; T502-K506 WeakPolarHBondContact O-CB 3.41Å; T502-K506 PolarHBondContact O-N 3.39Å
503T95.1Very high92.7Very high26 Ų2639.9 Ų39.916%0.1624%0.238CC..Hα-helixtrans-65-45.8179-54.80000110.4V499 T500 K506 V507 P538 L541V499-T503 HydrophobicContact CG1-CG2 3.63Å; T500-T503 PolarHBondContact O-N 2.94Å; T500-T503 PolarHBondContact OG1-N 2.94Å; T500-T503 VanDerWaalsContact OG1-N 3.08Å; T500-T503 PolarHBondContact OG1-OG1 3.44Å; T503-K506 PolarHBondContact O-N 2.9Å; T503-V507 WeakPolarHBondContact O-CG2 3.21Å; T503-V507 PolarHBondContact O-N 3.19Å; T503-P538 HydrophobicContact CG2-CG 4.28Å; T503-L541 HydrophobicContact CG2-CD1 3.68Å
504L96.4Very high93.2Very high1 Ų134 Ų341%0.00521%0.206CC..Hα-helixtrans-58.8-51175.2176.762.6000111.4L480 V495 T500 K506 V507 L508 L525 L528L480-L504 HydrophobicContact CD1-CD2 4.15Å; L480-L504 HydrophobicContact CD2-CD2 4.47Å; V495-L504 HydrophobicContact CG2-CD2 4.07Å; T500-L504 PolarHBondContact O-N 3.34Å; L504-K506 VanDerWaalsContact C-N 3.27Å; L504-K506 PolarHBondContact O-N 3.33Å; L504-V507 PolarHBondContact O-N 3.16Å; L504-L508 HydrophobicContact CD1-CD1 3.93Å; L504-L508 HydrophobicContact CD1-CD2 4.5Å; L504-L508 HydrophobicContact CD1-CG 4.01Å; L504-L508 HydrophobicContact CG-CD1 4Å; L504-L508 HydrophobicContact CG-CG 4.42Å; L504-L508 VanDerWaalsContact O-CG 3.31Å; L504-L508 WeakPolarHBondContact O-CG 3.45Å; L504-L508 PolarHBondContact O-N 2.97Å; L504-L525 HydrophobicContact CD1-CD2 3.87Å; L504-L525 HydrophobicContact CD2-CD2 4.38Å; L504-L528 HydrophobicContact CD1-CD1 3.68Å
505H97.3Very high93.4Very high30 Ų3036.3 Ų36.314%0.13922%0.216CC..Hα-helixtrans-53-46.8175.9168-139.6000111F471 G472 A476 L501 T502 L508 Q509F471-H505 AromaticContact CD1-CD2 3.82Å; F471-H505 PolarHBondContact O-NE2 3.18Å; G472-H505 PolarHBondContact O-CD2 2.9Å; A476-H505 HydrophobicContact CB-CB 3.86Å; L501-H505 WeakPolarHBondContact O-CB 3.43Å; L501-H505 PolarHBondContact O-N 3.07Å; T502-H505 PolarHBondContact O-N 2.91Å; H505-L508 PolarHBondContact O-N 2.87Å; H505-Q509 WeakPolarHBondContact O-CB 3.5Å; H505-Q509 PolarHBondContact O-N 2.96Å
506K97.1Very high93.8Very high72 Ų7235.3 Ų35.331%0.31321%0.21SC..Hα-helixtrans-67.7-40.1-177.6-168.267.5-165.4165.30112.9T502 T503 L504 Q509 N510 P538T502-K506 WeakPolarHBondContact O-CB 3.41Å; T502-K506 PolarHBondContact O-N 3.39Å; T503-K506 PolarHBondContact O-N 2.9Å; L504-K506 VanDerWaalsContact C-N 3.27Å; L504-K506 PolarHBondContact O-N 3.33Å; K506-Q509 PolarHBondContact O-N 2.87Å; K506-N510 VanDerWaalsContact CE-OD1 3.31Å; K506-N510 WeakPolarHBondContact CE-OD1 3.42Å; K506-N510 WeakPolarHBondContact O-CB 3.5Å; K506-N510 PolarHBondContact O-N 3.45Å; K506-N510 PolarHBondContact O-ND2 3.42Å; K506-N510 PolarHBondContact O-OD1 3.11Å; K506-P538 HydrophobicContact CB-CB 3.87Å; K506-P538 HydrophobicContact CB-CG 4.12Å; K506-P538 HydrophobicContact CG-CB 3.65Å; K506-P538 HydrophobicContact CG-CG 4.03Å
507V97.5Very high94.4Very high0 Ų031.6 Ų31.60%019%0.186CC..Hα-helixtrans-61.2-49.4174.8171.20000110.6T503 L504 Q509 N510 L511 L528 P538 L541 V545T503-V507 WeakPolarHBondContact O-CG2 3.21Å; T503-V507 PolarHBondContact O-N 3.19Å; L504-V507 PolarHBondContact O-N 3.16Å; V507-Q509 PolarHBondContact O-N 2.83Å; V507-N510 WeakPolarHBondContact O-CB 3.47Å; V507-N510 PolarHBondContact O-N 3.39Å; V507-L511 HydrophobicContact CG1-CD1 4.43Å; V507-L511 WeakPolarHBondContact O-CG 3.31Å; V507-L511 PolarHBondContact O-N 2.86Å; V507-L528 HydrophobicContact CG1-CD2 4.44Å; V507-L528 HydrophobicContact CG2-CD2 4.3Å; V507-P538 HydrophobicContact CG2-CB 4.24Å; V507-L541 HydrophobicContact CG2-CB 3.87Å; V507-V545 HydrophobicContact CG1-CG2 4.32Å
508L98Very high95.1Very high1 Ų128.5 Ų28.51%0.00515%0.154CC..Hα-helixtrans-63.6-42.6178.9-65.1179.1000112.1F471 L479 L504 H505 N510 L511 L512 I518 M521 I524F471-L508 HydrophobicContact CD1-CB 4.29Å; F471-L508 HydrophobicContact CE1-CB 3.53Å; F471-L508 HydrophobicContact CE1-CD1 3.91Å; F471-L508 HydrophobicContact CE1-CG 4.4Å; F471-L508 HydrophobicContact CZ-CB 4.1Å; F471-L508 HydrophobicContact CZ-CD1 3.79Å; L479-L508 HydrophobicContact CD2-CD1 4.16Å; L504-L508 HydrophobicContact CD1-CD1 3.93Å; L504-L508 HydrophobicContact CD1-CD2 4.5Å; L504-L508 HydrophobicContact CD1-CG 4.01Å; L504-L508 HydrophobicContact CG-CD1 4Å; L504-L508 HydrophobicContact CG-CG 4.42Å; L504-L508 VanDerWaalsContact O-CG 3.31Å; L504-L508 WeakPolarHBondContact O-CG 3.45Å; L504-L508 PolarHBondContact O-N 2.97Å; H505-L508 PolarHBondContact O-N 2.87Å; L508-N510 VanDerWaalsContact C-N 3.32Å; L508-N510 PolarHBondContact O-N 3.06Å; L508-L511 HydrophobicContact CD2-CD1 4.46Å; L508-L511 PolarHBondContact O-N 2.96Å; L508-L512 WeakPolarHBondContact O-CG 3.3Å; L508-L512 PolarHBondContact O-N 3.21Å; L508-I518 HydrophobicContact CB-CD1 4.27Å; L508-I518 HydrophobicContact CB-CG2 4.47Å; L508-I518 HydrophobicContact CD1-CD1 4.5Å; L508-I518 HydrophobicContact CD2-CB 4.03Å; L508-I518 HydrophobicContact CD2-CD1 4.34Å; L508-I518 HydrophobicContact CD2-CG2 3.83Å; L508-M521 HydrophobicContact CD1-CE 4.21Å; L508-M521 HydrophobicContact CD1-SD 4.44Å; L508-M521 HydrophobicContact CD2-CE 4.31Å; L508-M521 HydrophobicContact CD2-SD 3.89Å; L508-I524 HydrophobicContact CD2-CD1 4.06Å; L508-I524 HydrophobicContact CD2-CG2 3.99Å
509Q97.3Very high95.4Very high39 Ų3933.5 Ų33.518%0.18217%0.166CC..Hα-helixtrans-60.1-43.4175.2179.2176.770.500111.3A468 H505 K506 V507 L512 D513A468-Q509 HydrophobicContact CB-CG 4.08Å; A468-Q509 WeakPolarHBondContact O-CG 3.31Å; A468-Q509 PolarHBondContact O-NE2 2.95Å; H505-Q509 WeakPolarHBondContact O-CB 3.5Å; H505-Q509 PolarHBondContact O-N 2.96Å; K506-Q509 PolarHBondContact O-N 2.87Å; V507-Q509 PolarHBondContact O-N 2.83Å; Q509-L512 PolarHBondContact O-N 3.06Å; Q509-D513 WeakPolarHBondContact O-CB 3.49Å; Q509-D513 PolarHBondContact O-N 2.85Å
510N96Very high95.6Very high21 Ų2136.2 Ų36.211%0.11218%0.181CC..Hα-helixtrans-61-46.8176.8-68.9-15.7000110.7K506 V507 L508 L512 D513 E514 T542K506-N510 VanDerWaalsContact CE-OD1 3.31Å; K506-N510 WeakPolarHBondContact CE-OD1 3.42Å; K506-N510 WeakPolarHBondContact O-CB 3.5Å; K506-N510 PolarHBondContact O-N 3.45Å; K506-N510 PolarHBondContact O-ND2 3.42Å; K506-N510 PolarHBondContact O-OD1 3.11Å; V507-N510 WeakPolarHBondContact O-CB 3.47Å; V507-N510 PolarHBondContact O-N 3.39Å; L508-N510 VanDerWaalsContact C-N 3.32Å; L508-N510 PolarHBondContact O-N 3.06Å; N510-L512 VanDerWaalsContact C-N 3.34Å; N510-L512 PolarHBondContact O-N 2.78Å; N510-D513 WeakPolarHBondContact O-CB 3.36Å; N510-D513 PolarHBondContact O-N 3.25Å; N510-D513 VanDerWaalsContact O-N 3.17Å; N510-E514 WeakPolarHBondContact O-CG 3.25Å; N510-E514 PolarHBondContact O-N 3.28Å; N510-T542 HydrophobicContact CB-CG2 3.77Å; N510-T542 PolarHBondContact ND2-OG1 3.37Å; N510-T542 VanDerWaalsContact ND2-OG1 3.1Å
511L96.9Very high95.7Very high0 Ų033.6 Ų33.60%016%0.164CC..Hα-helixtrans-56.4-46.3176.8-68.6173000112.1V507 L508 D513 E514 K515 V516 I518 I524 T542 V545 R546 L549V507-L511 HydrophobicContact CG1-CD1 4.43Å; V507-L511 WeakPolarHBondContact O-CG 3.31Å; V507-L511 PolarHBondContact O-N 2.86Å; L508-L511 HydrophobicContact CD2-CD1 4.46Å; L508-L511 PolarHBondContact O-N 2.96Å; L511-D513 VanDerWaalsContact C-N 3.34Å; L511-D513 PolarHBondContact O-N 3.29Å; L511-E514 CarbonylContact O-C 3.54Å; L511-E514 WeakPolarHBondContact O-CA 3.29Å; L511-E514 PolarHBondContact O-N 3.31Å; L511-E514 VanDerWaalsContact O-N 3.14Å; L511-K515 PolarHBondContact O-N 2.72Å; L511-V516 HydrophobicContact CB-CB 4.2Å; L511-V516 HydrophobicContact CD2-CB 4.32Å; L511-V516 HydrophobicContact CD2-CG1 4.23Å; L511-V516 WeakPolarHBondContact O-CB 3.33Å; L511-V516 PolarHBondContact O-N 2.91Å; L511-I518 HydrophobicContact CB-CG2 3.84Å; L511-I518 HydrophobicContact CD1-CG2 3.92Å; L511-I524 HydrophobicContact CD1-CD1 4.18Å; L511-I524 HydrophobicContact CD1-CG1 4.5Å; L511-T542 HydrophobicContact CD2-CG2 3.98Å; L511-T542 HydrophobicContact CG-CG2 4.29Å; L511-V545 HydrophobicContact CD1-CG1 3.86Å; L511-V545 HydrophobicContact CD2-CG1 4.49Å; L511-R546 HydrophobicContact CD2-CG 3.52Å; L511-L549 HydrophobicContact CD1-CD1 4.28Å
512L95.6Very high95.8Very high0 Ų039.2 Ų39.20%018%0.184CC..Hα-helixtrans-63.8-38177.4-70.1174.4000112.6M365 F367 A468 F471 L508 Q509 N510 E514 K515 I518M365-L512 HydrophobicContact CE-CD2 3.54Å; F367-L512 HydrophobicContact CD1-CD1 3.78Å; F367-L512 HydrophobicContact CD1-CD2 4.03Å; F367-L512 HydrophobicContact CE1-CD1 3.51Å; F367-L512 HydrophobicContact CE1-CD2 3.84Å; F367-L512 HydrophobicContact CE1-CG 4.32Å; F367-L512 HydrophobicContact CZ-CD1 4.27Å; A468-L512 HydrophobicContact CB-CB 4.35Å; F471-L512 HydrophobicContact CB-CD1 3.48Å; F471-L512 VanDerWaalsContact CB-CD1 3.48Å; F471-L512 HydrophobicContact CD1-CD1 3.92Å; F471-L512 HydrophobicContact CD2-CD1 3.83Å; F471-L512 HydrophobicContact CG-CD1 3.46Å; F471-L512 VanDerWaalsContact CG-CD1 3.46Å; L508-L512 WeakPolarHBondContact O-CG 3.3Å; L508-L512 PolarHBondContact O-N 3.21Å; Q509-L512 PolarHBondContact O-N 3.06Å; N510-L512 VanDerWaalsContact C-N 3.34Å; N510-L512 PolarHBondContact O-N 2.78Å; L512-E514 PolarHBondContact O-N 2.93Å; L512-K515 PolarHBondContact O-N 3.44Å; L512-I518 HydrophobicContact CD1-CD1 3.94Å; L512-I518 HydrophobicContact CD2-CD1 4.23Å; L512-I518 HydrophobicContact CD2-CG1 4.07Å; L512-I518 HydrophobicContact CD2-CG2 4.3Å; L512-I518 HydrophobicContact CG-CD1 4.17Å; L512-I518 HydrophobicContact CG-CG1 4.46Å; L512-I518 HydrophobicContact CG-CG2 4.24Å
513D93.5Very high95.9Very high69 Ų6937 Ų3737%0.36917%0.171SC..Hα-helixtrans-62.4-34.7176-163.941.6000110.4A468 Q509 N510 L511 K515 R630A468-D513 HydrophobicContact CB-CB 3.63Å; Q509-D513 WeakPolarHBondContact O-CB 3.49Å; Q509-D513 PolarHBondContact O-N 2.85Å; N510-D513 WeakPolarHBondContact O-CB 3.36Å; N510-D513 PolarHBondContact O-N 3.25Å; N510-D513 VanDerWaalsContact O-N 3.17Å; L511-D513 VanDerWaalsContact C-N 3.34Å; L511-D513 PolarHBondContact O-N 3.29Å; D513-K515 VanDerWaalsContact C-N 3.25Å; D513-K515 PolarHBondContact O-N 2.9Å; D513-R630 VanDerWaalsContact O-CZ 3.22Å; D513-R630 PolarHBondContact O-NH1 3.01Å; D513-R630 IonicContact OD1-NH1 3.47Å; D513-R630 IonicContact OD2-CZ 3.34Å; D513-R630 IonicContact OD2-NH1 3.55Å; D513-R630 PolarHBondContact OD2-NH1 3.33Å
514E92.5Very high96.1Very high18 Ų1835.8 Ų35.88%0.08416%0.163CC..THydrogen-bonded Turntrans-86.915.9174.5-35.1-146.312400114.5N510 L511 L512 V516 R546 R622 S626 R630N510-E514 WeakPolarHBondContact O-CG 3.25Å; N510-E514 PolarHBondContact O-N 3.28Å; L511-E514 CarbonylContact O-C 3.54Å; L511-E514 WeakPolarHBondContact O-CA 3.29Å; L511-E514 PolarHBondContact O-N 3.31Å; L511-E514 VanDerWaalsContact O-N 3.14Å; L512-E514 PolarHBondContact O-N 2.93Å; E514-V516 HydrophobicContact CB-CG2 4.49Å; E514-V516 PolarHBondContact O-N 2.73Å; E514-R546 VanDerWaalsContact OE2-CD 3.23Å; E514-R546 WeakPolarHBondContact OE2-CD 3.5Å; E514-R546 IonicContact OE2-CZ 3.91Å; E514-R546 IonicContact OE2-NE 3.9Å; E514-R546 PolarHBondContact OE2-NE 3.31Å; E514-R546 IonicContact OE2-NH1 3.76Å; E514-R546 PolarHBondContact OE2-NH1 3.34Å; E514-R622 IonicContact OE1-CZ 2.64Å; E514-R622 IonicContact OE1-NH1 3.92Å; E514-R622 PolarHBondContact OE1-NH1 3.4Å; E514-R622 IonicContact OE1-NH2 2.86Å; E514-R622 IonicContact OE2-CZ 3.32Å; E514-R622 IonicContact OE2-NH1 3.65Å; E514-R622 PolarHBondContact OE2-NH1 3.45Å; E514-R622 IonicContact OE2-NH2 3.24Å; E514-S626 PolarHBondContact OE1-OG 2.72Å; E514-R630 VanDerWaalsContact CB-NH2 3.26Å; E514-R630 IonicContact OE1-NH2 3.42Å; E514-R630 PolarHBondContact OE1-NH2 3.38Å
515K92.1Very high96.1Very high57 Ų5735.8 Ų35.825%0.24816%0.163CC..THydrogen-bonded Turntrans57.329.8179.3-48.4-56.3179.5-164.60113.6S464 Q465 L511 L512 D513 Q556S464-K515 PolarHBondContact O-NZ 2.67Å; Q465-K515 PolarHBondContact O-NZ 2.98Å; L511-K515 PolarHBondContact O-N 2.72Å; L512-K515 PolarHBondContact O-N 3.44Å; D513-K515 VanDerWaalsContact C-N 3.25Å; D513-K515 PolarHBondContact O-N 2.9Å; K515-Q556 PolarHBondContact O-NE2 3.29Å
516V95.6Very high96Very high4 Ų438.8 Ų38.82%0.02418%0.177CC..  trans-94.5120.7173179.10000109.5L511 E514 L549 I553L511-V516 HydrophobicContact CB-CB 4.2Å; L511-V516 HydrophobicContact CD2-CB 4.32Å; L511-V516 HydrophobicContact CD2-CG1 4.23Å; L511-V516 WeakPolarHBondContact O-CB 3.33Å; L511-V516 PolarHBondContact O-N 2.91Å; E514-V516 HydrophobicContact CB-CG2 4.49Å; E514-V516 PolarHBondContact O-N 2.73Å; V516-L549 HydrophobicContact CG1-CD1 4.08Å; V516-I553 HydrophobicContact CG1-CD1 4.29Å; V516-I553 HydrophobicContact CG1-CG1 4.07Å; V516-I553 HydrophobicContact CG2-CD1 4.12Å; V516-I553 HydrophobicContact CG2-CG1 4.14Å
517P95.9Very high96Very high32 Ų3236 Ų3621%0.20817%0.166CC..  trans-60.8134.3172.8-25.735.6000112.4E364 M365 R519E364-P517 WeakPolarHBondContact O-CB 3.45Å; M365-P517 HydrophobicContact SD-CG 4.26Å; P517-R519 VanDerWaalsContact C-N 3.28Å; P517-R519 HydrophobicContact CB-CG 4.23Å; P517-R519 PolarHBondContact O-N 3.22Å
518I97Very high96Very high0 Ų036 Ų360%017%0.166CC..  trans-96.433177.659.2173000111.9M365 F367 F471 L479 L508 L511 L512 M521 I524M365-I518 WeakPolarHBondContact O-CG1 3.35Å; M365-I518 PolarHBondContact O-N 2.9Å; F367-I518 HydrophobicContact CB-CD1 4.33Å; F367-I518 HydrophobicContact CD1-CD1 4.31Å; F471-I518 HydrophobicContact CD2-CD1 4.45Å; F471-I518 HydrophobicContact CE1-CD1 4.49Å; F471-I518 HydrophobicContact CE2-CD1 3.88Å; F471-I518 HydrophobicContact CZ-CD1 3.9Å; L479-I518 HydrophobicContact CD2-CD1 3.75Å; L479-I518 HydrophobicContact CD2-CG1 4.43Å; L508-I518 HydrophobicContact CB-CD1 4.27Å; L508-I518 HydrophobicContact CB-CG2 4.47Å; L508-I518 HydrophobicContact CD1-CD1 4.5Å; L508-I518 HydrophobicContact CD2-CB 4.03Å; L508-I518 HydrophobicContact CD2-CD1 4.34Å; L508-I518 HydrophobicContact CD2-CG2 3.83Å; L511-I518 HydrophobicContact CB-CG2 3.84Å; L511-I518 HydrophobicContact CD1-CG2 3.92Å; L512-I518 HydrophobicContact CD1-CD1 3.94Å; L512-I518 HydrophobicContact CD2-CD1 4.23Å; L512-I518 HydrophobicContact CD2-CG1 4.07Å; L512-I518 HydrophobicContact CD2-CG2 4.3Å; L512-I518 HydrophobicContact CG-CD1 4.17Å; L512-I518 HydrophobicContact CG-CG1 4.46Å; L512-I518 HydrophobicContact CG-CG2 4.24Å; I518-M521 WeakPolarHBondContact O-CG 3.48Å; I518-I524 HydrophobicContact CB-CD1 4.1Å; I518-I524 HydrophobicContact CG2-CD1 4.31Å
519R95.2Very high95.8Very high165 Ų16538 Ų3862%0.62318%0.182SC*.  trans-74.1-36.9-177.4-69174.458.4-175.11.1112.9Q363 E364 G366 P517 M521Q363-R519 WeakPolarHBondContact O-CD 3.42Å; Q363-R519 PolarHBondContact O-NE 3.01Å; Q363-R519 PolarHBondContact O-NH1 2.96Å; E364-R519 WeakPolarHBondContact O-CD 3.24Å; G366-R519 VanDerWaalsContact CA-CG 3.48Å; P517-R519 VanDerWaalsContact C-N 3.28Å; P517-R519 HydrophobicContact CB-CG 4.23Å; P517-R519 PolarHBondContact O-N 3.22Å; R519-M521 PolarHBondContact O-N 3.43Å
520D96Very high95.7Very high65 Ų6542.7 Ų42.735%0.34820%0.204SC..  trans-83.464.3179-169.8-1.7000110.4R522 T523 I524 L549D520-R522 PolarHBondContact O-N 3.37Å; D520-T523 VanDerWaalsContact CG-CB 3.47Å; D520-T523 PolarHBondContact O-N 3.05Å; D520-T523 PolarHBondContact OD1-N 3.11Å; D520-T523 VanDerWaalsContact OD1-N 3.07Å; D520-T523 PolarHBondContact OD1-OG1 3.03Å; D520-T523 VanDerWaalsContact OD1-OG1 3.09Å; D520-T523 VanDerWaalsContact OD2-CB 3.28Å; D520-T523 WeakPolarHBondContact OD2-CB 3.05Å; D520-T523 PolarHBondContact OD2-OG1 3.26Å; D520-I524 VanDerWaalsContact O-CG1 3.28Å; D520-I524 WeakPolarHBondContact O-CG1 3.5Å; D520-I524 PolarHBondContact O-N 2.82Å; D520-I524 VanDerWaalsContact O-N 3.12Å; D520-L549 HydrophobicContact CB-CD2 3.96Å
521M96.6Very high95.7Very high12 Ų1244.8 Ų44.86%0.05921%0.213CC..Hα-helixtrans-62.2-25.2178.6-75.6-57.7-62.700112.2L479 V483 L508 I518 R519 I524 L525L479-M521 HydrophobicContact CD1-CG 4.29Å; L479-M521 HydrophobicContact CD2-CE 4.26Å; L479-M521 HydrophobicContact CD2-CG 4.26Å; L479-M521 HydrophobicContact CD2-SD 3.79Å; L479-M521 HydrophobicContact CG-CE 4.41Å; L479-M521 HydrophobicContact CG-CG 4.33Å; L479-M521 HydrophobicContact CG-SD 4.33Å; V483-M521 HydrophobicContact CG2-CB 3.72Å; V483-M521 HydrophobicContact CG2-CG 3.91Å; L508-M521 HydrophobicContact CD1-CE 4.21Å; L508-M521 HydrophobicContact CD1-SD 4.44Å; L508-M521 HydrophobicContact CD2-CE 4.31Å; L508-M521 HydrophobicContact CD2-SD 3.89Å; I518-M521 WeakPolarHBondContact O-CG 3.48Å; R519-M521 PolarHBondContact O-N 3.43Å; M521-I524 HydrophobicContact SD-CD1 3.94Å; M521-L525 HydrophobicContact CE-CD1 4.37Å; M521-L525 HydrophobicContact CE-CD2 3.97Å; M521-L525 HydrophobicContact CE-CG 4.05Å; M521-L525 WeakPolarHBondContact O-CB 3.49Å; M521-L525 WeakPolarHBondContact O-CG 3.27Å; M521-L525 PolarHBondContact O-N 2.9Å
522R96.1Very high95.5Very high134 Ų13445.3 Ų45.351%0.50622%0.217SC..Hα-helixtrans-61-58.6174.6179.1-175.9-61.3-141.6-3.1110.4M487 L490 D520 I524 L525 E526M487-R522 HydrophobicContact CE-CB 4.48Å; M487-R522 HydrophobicContact CE-CG 4.01Å; M487-R522 HydrophobicContact SD-CB 4.29Å; M487-R522 HydrophobicContact SD-CG 4.45Å; M487-R522 PolarHBondContact SD-NH2 2.83Å; M487-R522 VanDerWaalsContact SD-NH2 3.39Å; L490-R522 HydrophobicContact CD2-CB 4.38Å; L490-R522 HydrophobicContact CD2-CG 4.2Å; D520-R522 PolarHBondContact O-N 3.37Å; R522-I524 VanDerWaalsContact C-N 3.27Å; R522-I524 PolarHBondContact O-N 3.06Å; R522-L525 PolarHBondContact O-N 3.3Å; R522-E526 HydrophobicContact CG-CG 4.38Å; R522-E526 WeakPolarHBondContact CG-OE1 3.49Å; R522-E526 WeakPolarHBondContact O-CB 3.13Å; R522-E526 WeakPolarHBondContact O-CG 3.48Å; R522-E526 PolarHBondContact O-N 3.47Å
523T97.1Very high95.4Very high32 Ų3249.6 Ų49.620%0.19625%0.245CC..Hα-helixtrans-60.4-39.6-179.5-59.20000111.1D520 T527 A548 L549D520-T523 VanDerWaalsContact CG-CB 3.47Å; D520-T523 PolarHBondContact O-N 3.05Å; D520-T523 PolarHBondContact OD1-N 3.11Å; D520-T523 VanDerWaalsContact OD1-N 3.07Å; D520-T523 PolarHBondContact OD1-OG1 3.03Å; D520-T523 VanDerWaalsContact OD1-OG1 3.09Å; D520-T523 VanDerWaalsContact OD2-CB 3.28Å; D520-T523 WeakPolarHBondContact OD2-CB 3.05Å; D520-T523 PolarHBondContact OD2-OG1 3.26Å; T523-T527 VanDerWaalsContact O-CB 3.28Å; T523-T527 WeakPolarHBondContact O-CB 3.43Å; T523-T527 PolarHBondContact O-N 2.98Å; T523-T527 PolarHBondContact O-OG1 2.93Å; T523-A548 HydrophobicContact CG2-CB 3.83Å; T523-L549 HydrophobicContact CG2-CD2 4.04Å
524I97.7Very high95.4Very high0 Ų053.9 Ų53.90%027%0.267CS..Hα-helixtrans-60.4-52.4177.2-65.6165.7000111L508 L511 I518 D520 M521 R522 T527 L528 V545 L549L508-I524 HydrophobicContact CD2-CD1 4.06Å; L508-I524 HydrophobicContact CD2-CG2 3.99Å; L511-I524 HydrophobicContact CD1-CD1 4.18Å; L511-I524 HydrophobicContact CD1-CG1 4.5Å; I518-I524 HydrophobicContact CB-CD1 4.1Å; I518-I524 HydrophobicContact CG2-CD1 4.31Å; D520-I524 VanDerWaalsContact O-CG1 3.28Å; D520-I524 WeakPolarHBondContact O-CG1 3.5Å; D520-I524 PolarHBondContact O-N 2.82Å; D520-I524 VanDerWaalsContact O-N 3.12Å; M521-I524 HydrophobicContact SD-CD1 3.94Å; R522-I524 VanDerWaalsContact C-N 3.27Å; R522-I524 PolarHBondContact O-N 3.06Å; I524-T527 PolarHBondContact O-N 3.34Å; I524-L528 HydrophobicContact CG2-CD1 4.04Å; I524-L528 WeakPolarHBondContact O-CB 3.5Å; I524-L528 VanDerWaalsContact O-CG 3.28Å; I524-L528 WeakPolarHBondContact O-CG 3.44Å; I524-L528 PolarHBondContact O-N 2.94Å; I524-V545 HydrophobicContact CB-CG1 4.29Å; I524-V545 HydrophobicContact CG1-CG1 3.81Å; I524-V545 HydrophobicContact CG2-CG1 4.17Å; I524-L549 HydrophobicContact CD1-CD1 4.24Å; I524-L549 HydrophobicContact CG1-CD1 3.95Å; I524-L549 HydrophobicContact CG1-CD2 4.33Å; I524-L549 HydrophobicContact CG1-CG 4.47Å
525L96.8Very high95.3Very high0 Ų056.3 Ų56.30%028%0.278CS..Hα-helixtrans-69.9-39.1-176.5-66.2-177.7000112.4V483 L490 T491 L494 L504 M521 R522 T527 L528 A529V483-L525 HydrophobicContact CG1-CD1 3.87Å; L490-L525 HydrophobicContact CD1-CB 4.31Å; L490-L525 HydrophobicContact CD2-CB 3.96Å; L490-L525 HydrophobicContact CD2-CD1 4.14Å; L490-L525 HydrophobicContact CG-CB 3.96Å; L490-L525 HydrophobicContact CG-CD1 4.17Å; T491-L525 HydrophobicContact CG2-CD1 4.06Å; L494-L525 HydrophobicContact CD2-CB 3.72Å; L494-L525 HydrophobicContact CD2-CD1 4.3Å; L494-L525 HydrophobicContact CD2-CD2 3.69Å; L494-L525 HydrophobicContact CD2-CG 4.07Å; L504-L525 HydrophobicContact CD1-CD2 3.87Å; L504-L525 HydrophobicContact CD2-CD2 4.38Å; M521-L525 HydrophobicContact CE-CD1 4.37Å; M521-L525 HydrophobicContact CE-CD2 3.97Å; M521-L525 HydrophobicContact CE-CG 4.05Å; M521-L525 WeakPolarHBondContact O-CB 3.49Å; M521-L525 WeakPolarHBondContact O-CG 3.27Å; M521-L525 PolarHBondContact O-N 2.9Å; R522-L525 PolarHBondContact O-N 3.3Å; L525-T527 VanDerWaalsContact C-N 3.35Å; L525-L528 PolarHBondContact O-N 3.44Å; L525-A529 WeakPolarHBondContact O-CB 3.49Å; L525-A529 PolarHBondContact O-N 3.46Å
526E96Very high95.2Very high93 Ų9358.2 Ų58.244%0.43530%0.299SS..Hα-helixtrans-60.6-45174.6-72.8175.2177.100111.1L490 R522 L528 A529 E530L490-E526 HydrophobicContact CD1-CG 3.66Å; R522-E526 HydrophobicContact CG-CG 4.38Å; R522-E526 WeakPolarHBondContact CG-OE1 3.49Å; R522-E526 WeakPolarHBondContact O-CB 3.13Å; R522-E526 WeakPolarHBondContact O-CG 3.48Å; R522-E526 PolarHBondContact O-N 3.47Å; E526-L528 VanDerWaalsContact C-N 3.35Å; E526-L528 PolarHBondContact O-N 3.22Å; E526-A529 WeakPolarHBondContact O-CB 3.42Å; E526-A529 PolarHBondContact O-N 3.13Å; E526-E530 PolarHBondContact O-N 3.43Å; E526-E530 VanDerWaalsContact O-N 3.1Å
527T96.8Very high95.2Very high13 Ų1361 Ų618%0.0831%0.313CS..Hα-helixtrans-63.8-41.4178-55.10000111.5T523 I524 L525 E530 H531 V544 V545 A548T523-T527 VanDerWaalsContact O-CB 3.28Å; T523-T527 WeakPolarHBondContact O-CB 3.43Å; T523-T527 PolarHBondContact O-N 2.98Å; T523-T527 PolarHBondContact O-OG1 2.93Å; I524-T527 PolarHBondContact O-N 3.34Å; L525-T527 VanDerWaalsContact C-N 3.35Å; T527-E530 PolarHBondContact O-N 2.94Å; T527-H531 PolarHBondContact O-N 3.38Å; T527-H531 VanDerWaalsContact O-N 3.11Å; T527-H531 PolarHBondContact O-ND1 3.23Å; T527-V544 HydrophobicContact CG2-CB 4.46Å; T527-V544 HydrophobicContact CG2-CG1 3.65Å; T527-V545 HydrophobicContact CG2-CG2 3.93Å; T527-A548 HydrophobicContact CG2-CB 4.15Å; T527-A548 VanDerWaalsContact OG1-CB 3.29Å; T527-A548 WeakPolarHBondContact OG1-CB 3.2Å
528L96.6Very high95.1Very high2 Ų260.9 Ų60.91%0.0131%0.313CS..Hα-helixtrans-66-41.1175.6-72177000111.7V499 L504 V507 I524 L525 E526 E530 H531 A532 L541 V545V499-L528 HydrophobicContact CG2-CB 4.34Å; L504-L528 HydrophobicContact CD1-CD1 3.68Å; V507-L528 HydrophobicContact CG1-CD2 4.44Å; V507-L528 HydrophobicContact CG2-CD2 4.3Å; I524-L528 HydrophobicContact CG2-CD1 4.04Å; I524-L528 WeakPolarHBondContact O-CB 3.5Å; I524-L528 VanDerWaalsContact O-CG 3.28Å; I524-L528 WeakPolarHBondContact O-CG 3.44Å; I524-L528 PolarHBondContact O-N 2.94Å; L525-L528 PolarHBondContact O-N 3.44Å; E526-L528 VanDerWaalsContact C-N 3.35Å; E526-L528 PolarHBondContact O-N 3.22Å; L528-E530 VanDerWaalsContact C-N 3.26Å; L528-E530 PolarHBondContact O-N 3.43Å; L528-H531 PolarHBondContact O-N 3.45Å; L528-A532 WeakPolarHBondContact O-CB 3.28Å; L528-A532 PolarHBondContact O-N 3.35Å; L528-L541 HydrophobicContact CD2-CB 3.89Å; L528-L541 HydrophobicContact CD2-CD1 4.1Å; L528-L541 HydrophobicContact CD2-CD2 4.12Å; L528-L541 HydrophobicContact CD2-CG 4.26Å; L528-V545 HydrophobicContact CD2-CG2 3.94Å; L528-V545 HydrophobicContact CG-CG2 4.07Å
529A94.3Very high94.9Very high41 Ų4165.9 Ų65.934%0.33934%0.335SS..Hα-helixtrans-58.9-38.9177.100000112.1L494 L525 E526 P533L494-A529 HydrophobicContact CD1-CB 3.51Å; L525-A529 WeakPolarHBondContact O-CB 3.49Å; L525-A529 PolarHBondContact O-N 3.46Å; E526-A529 WeakPolarHBondContact O-CB 3.42Å; E526-A529 PolarHBondContact O-N 3.13Å; A529-P533 WeakPolarHBondContact O-CD 3.32Å
530E95.4Very high94.9Very high138 Ų13862.5 Ų62.565%0.64533%0.327SS*.Hα-helixtrans-73.8-42.4179.9-176.7176.9-165.900112.9E526 T527 L528E526-E530 PolarHBondContact O-N 3.43Å; E526-E530 VanDerWaalsContact O-N 3.1Å; T527-E530 PolarHBondContact O-N 2.94Å; L528-E530 VanDerWaalsContact C-N 3.26Å; L528-E530 PolarHBondContact O-N 3.43Å
531H96.1Very high94.9Very high65 Ų6559.5 Ų59.530%0.30131%0.311SS..Hα-helixtrans-100.7-28-168.5-64.579.7000114.4T527 L528 I534 Q535 L541T527-H531 PolarHBondContact O-N 3.38Å; T527-H531 VanDerWaalsContact O-N 3.11Å; T527-H531 PolarHBondContact O-ND1 3.23Å; L528-H531 PolarHBondContact O-N 3.45Å; H531-I534 PolarHBondContact O-N 3.03Å; H531-I534 VanDerWaalsContact O-N 3.17Å; H531-Q535 PolarHBondContact O-N 2.88Å; H531-L541 HydrophobicContact CB-CD2 4.1Å
532A93.6Very high94.9Very high11 Ų1159 Ų599%0.09131%0.309CS..THydrogen-bonded Turntrans-64.5-26.3-176.700000116.1V498 V499 L528 I534 Q535 L541V498-A532 HydrophobicContact CG1-CB 4.06Å; V499-A532 HydrophobicContact CG2-CB 3.49Å; V499-A532 VanDerWaalsContact CG2-CB 3.49Å; L528-A532 WeakPolarHBondContact O-CB 3.28Å; L528-A532 PolarHBondContact O-N 3.35Å; A532-I534 PolarHBondContact O-N 3.17Å; A532-Q535 VanDerWaalsContact CA-O 3.32Å; A532-Q535 WeakPolarHBondContact CA-O 3.44Å; A532-Q535 VanDerWaalsContact O-O 3.14Å; A532-L541 HydrophobicContact CB-CD1 4.31Å; A532-L541 HydrophobicContact CB-CD2 4.23Å
533P91.9Very high94.9Very high90 Ų9052.9 Ų52.958%0.58429%0.286SS*.THydrogen-bonded Turntrans-60.7-26172.6-25.834.7000114.3V498 A529V498-P533 HydrophobicContact CG1-CG 3.89Å; A529-P533 WeakPolarHBondContact O-CD 3.32Å
534I93.3Very high94.8Very high160 Ų16053.5 Ų53.582%0.82129%0.29SS*.THydrogen-bonded Turntrans-107.2-26.9-175.8-52.5171.7000111.1H531 A532H531-I534 PolarHBondContact O-N 3.03Å; H531-I534 VanDerWaalsContact O-N 3.17Å; A532-I534 PolarHBondContact O-N 3.17Å
535Q92.1Very high94.8Very high69 Ų6953.5 Ų53.532%0.32229%0.29SS..  trans-127121.5-177.6177.356.5-8800111.2H531 A532 E540 L541H531-Q535 PolarHBondContact O-N 2.88Å; A532-Q535 VanDerWaalsContact CA-O 3.32Å; A532-Q535 WeakPolarHBondContact CA-O 3.44Å; A532-Q535 VanDerWaalsContact O-O 3.14Å; Q535-E540 HydrophobicContact CG-CB 3.64Å; Q535-L541 HydrophobicContact CB-CD2 4.26Å; Q535-L541 HydrophobicContact CG-CD2 4.23Å; Q535-L541 HydrophobicContact CG-CG 4.22Å
536S89.8Confident94.8Very high97 Ų9753.6 Ų53.668%0.67829%0.29SS*.  trans-104.1-13.9-179.2590000114.5P538S536-P538 VanDerWaalsContact O-CD 3.31Å; S536-P538 WeakPolarHBondContact O-CD 3.41Å
537D93.8Very high94.8Very high63 Ų6351.6 Ų51.634%0.33728%0.284SS..  trans-70119.7178.6-177.1-0.6000110.9H539 E540 L541D537-H539 PolarHBondContact O-N 2.7Å; D537-H539 VanDerWaalsContact O-N 3.17Å; D537-H539 IonicContact OD1-CG 3.59Å; D537-H539 PolarHBondContact OD1-N 3.1Å; D537-H539 IonicContact OD1-ND1 2.72Å; D537-H539 PolarHBondContact OD1-ND1 2.61Å; D537-E540 HydrophobicContact CB-CB 4.23Å; D537-E540 HydrophobicContact CB-CG 4.13Å; D537-E540 PolarHBondContact O-N 3.32Å; D537-L541 WeakPolarHBondContact O-CG 3.42Å; D537-L541 PolarHBondContact O-N 2.88Å
538P94.6Very high94.8Very high29 Ų2953.1 Ų53.119%0.18830%0.298CS..Hα-helixtrans-55.4-30.7175.8-24.533000114.3T503 K506 V507 S536 T542T503-P538 HydrophobicContact CG2-CG 4.28Å; K506-P538 HydrophobicContact CB-CB 3.87Å; K506-P538 HydrophobicContact CB-CG 4.12Å; K506-P538 HydrophobicContact CG-CB 3.65Å; K506-P538 HydrophobicContact CG-CG 4.03Å; V507-P538 HydrophobicContact CG2-CB 4.24Å; S536-P538 VanDerWaalsContact O-CD 3.31Å; S536-P538 WeakPolarHBondContact O-CD 3.41Å; P538-T542 WeakPolarHBondContact O-CB 3.34Å; P538-T542 PolarHBondContact O-N 3.27Å; P538-T542 PolarHBondContact O-OG1 3.14Å
539H93.3Very high94.8Very high104 Ų10453.3 Ų53.348%0.48130%0.299SS..Hα-helixtrans-72.6-42.3-178.4-60.887.8000112D537 T542 A543D537-H539 PolarHBondContact O-N 2.7Å; D537-H539 VanDerWaalsContact O-N 3.17Å; D537-H539 IonicContact OD1-CG 3.59Å; D537-H539 PolarHBondContact OD1-N 3.1Å; D537-H539 IonicContact OD1-ND1 2.72Å; D537-H539 PolarHBondContact OD1-ND1 2.61Å; H539-T542 WeakPolarHBondContact O-CB 3.44Å; H539-T542 PolarHBondContact O-N 3.03Å; H539-A543 PolarHBondContact O-N 3.06Å
540E94.4Very high94.8Very high95 Ų9551.6 Ų51.644%0.44429%0.286SS..Hα-helixtrans-65.5-45.5174.5-68.1-63.3149.400110.6Q535 D537 T542 A543 V544Q535-E540 HydrophobicContact CG-CB 3.64Å; D537-E540 HydrophobicContact CB-CB 4.23Å; D537-E540 HydrophobicContact CB-CG 4.13Å; D537-E540 PolarHBondContact O-N 3.32Å; E540-T542 VanDerWaalsContact C-N 3.28Å; E540-T542 PolarHBondContact O-N 2.89Å; E540-A543 WeakPolarHBondContact O-CB 3.36Å; E540-A543 PolarHBondContact O-N 3.21Å; E540-V544 PolarHBondContact O-N 3.47Å; E540-V544 VanDerWaalsContact O-N 3.1Å
541L96.7Very high94.6Very high2 Ų255 Ų551%0.0129%0.293CS..Hα-helixtrans-59.4-39.3173.7-69.4173.9000112.1T503 V507 L528 H531 A532 Q535 D537 A543 V544 V545T503-L541 HydrophobicContact CG2-CD1 3.68Å; V507-L541 HydrophobicContact CG2-CB 3.87Å; L528-L541 HydrophobicContact CD2-CB 3.89Å; L528-L541 HydrophobicContact CD2-CD1 4.1Å; L528-L541 HydrophobicContact CD2-CD2 4.12Å; L528-L541 HydrophobicContact CD2-CG 4.26Å; H531-L541 HydrophobicContact CB-CD2 4.1Å; A532-L541 HydrophobicContact CB-CD1 4.31Å; A532-L541 HydrophobicContact CB-CD2 4.23Å; Q535-L541 HydrophobicContact CB-CD2 4.26Å; Q535-L541 HydrophobicContact CG-CD2 4.23Å; Q535-L541 HydrophobicContact CG-CG 4.22Å; D537-L541 WeakPolarHBondContact O-CG 3.42Å; D537-L541 PolarHBondContact O-N 2.88Å; L541-A543 VanDerWaalsContact C-N 3.32Å; L541-A543 PolarHBondContact O-N 3.39Å; L541-V544 PolarHBondContact O-N 3.02Å; L541-V545 WeakPolarHBondContact O-CB 3.31Å; L541-V545 VanDerWaalsContact O-CG2 3.23Å; L541-V545 WeakPolarHBondContact O-CG2 3.5Å; L541-V545 PolarHBondContact O-N 3.17Å
542T97Very high94.4Very high2 Ų254.7 Ų54.71%0.01230%0.301CS..Hα-helixtrans-60.6-42.4174.2-56.30000111.1N510 L511 P538 H539 E540 V545 R546N510-T542 HydrophobicContact CB-CG2 3.77Å; N510-T542 PolarHBondContact ND2-OG1 3.37Å; N510-T542 VanDerWaalsContact ND2-OG1 3.1Å; L511-T542 HydrophobicContact CD2-CG2 3.98Å; L511-T542 HydrophobicContact CG-CG2 4.29Å; P538-T542 WeakPolarHBondContact O-CB 3.34Å; P538-T542 PolarHBondContact O-N 3.27Å; P538-T542 PolarHBondContact O-OG1 3.14Å; H539-T542 WeakPolarHBondContact O-CB 3.44Å; H539-T542 PolarHBondContact O-N 3.03Å; E540-T542 VanDerWaalsContact C-N 3.28Å; E540-T542 PolarHBondContact O-N 2.89Å; T542-V545 PolarHBondContact O-N 2.92Å; T542-R546 HydrophobicContact CG2-CG 4.42Å; T542-R546 WeakPolarHBondContact O-CB 3.09Å; T542-R546 VanDerWaalsContact O-CG 3.28Å; T542-R546 WeakPolarHBondContact O-CG 3.31Å; T542-R546 PolarHBondContact O-N 3.4Å
543A95.2Very high94.4Very high4 Ų454.2 Ų54.23%0.03330%0.297CS..Hα-helixtrans-62.6-43.3179.600000112H539 E540 L541 R546 V547H539-A543 PolarHBondContact O-N 3.06Å; E540-A543 WeakPolarHBondContact O-CB 3.36Å; E540-A543 PolarHBondContact O-N 3.21Å; L541-A543 VanDerWaalsContact C-N 3.32Å; L541-A543 PolarHBondContact O-N 3.39Å; A543-R546 PolarHBondContact O-N 3.36Å; A543-V547 WeakPolarHBondContact O-CG2 3.43Å; A543-V547 PolarHBondContact O-N 3.25Å
544V96.3Very high94.4Very high45 Ų4550 Ų5027%0.27327%0.27SS..Hα-helixtrans-66.7-45.3177.1-177.60000111.3T527 E540 L541 R546 V547 A548T527-V544 HydrophobicContact CG2-CB 4.46Å; T527-V544 HydrophobicContact CG2-CG1 3.65Å; E540-V544 PolarHBondContact O-N 3.47Å; E540-V544 VanDerWaalsContact O-N 3.1Å; L541-V544 PolarHBondContact O-N 3.02Å; V544-R546 VanDerWaalsContact C-N 3.28Å; V544-R546 PolarHBondContact O-N 3.02Å; V544-V547 WeakPolarHBondContact O-CB 3.4Å; V544-V547 PolarHBondContact O-N 2.9Å; V544-V547 VanDerWaalsContact O-N 3.13Å; V544-A548 PolarHBondContact O-N 2.89Å
545V97.6Very high94.3Very high1 Ų147 Ų471%0.00625%0.252CS..Hα-helixtrans-60.1-39.2177171.30000111.3V507 L511 I524 T527 L528 L541 T542 V547 A548 L549V507-V545 HydrophobicContact CG1-CG2 4.32Å; L511-V545 HydrophobicContact CD1-CG1 3.86Å; L511-V545 HydrophobicContact CD2-CG1 4.49Å; I524-V545 HydrophobicContact CB-CG1 4.29Å; I524-V545 HydrophobicContact CG1-CG1 3.81Å; I524-V545 HydrophobicContact CG2-CG1 4.17Å; T527-V545 HydrophobicContact CG2-CG2 3.93Å; L528-V545 HydrophobicContact CD2-CG2 3.94Å; L528-V545 HydrophobicContact CG-CG2 4.07Å; L541-V545 WeakPolarHBondContact O-CB 3.31Å; L541-V545 VanDerWaalsContact O-CG2 3.23Å; L541-V545 WeakPolarHBondContact O-CG2 3.5Å; L541-V545 PolarHBondContact O-N 3.17Å; T542-V545 PolarHBondContact O-N 2.92Å; V545-V547 VanDerWaalsContact C-N 3.35Å; V545-V547 PolarHBondContact O-N 3.2Å; V545-A548 PolarHBondContact O-N 2.87Å; V545-L549 HydrophobicContact CG1-CD1 3.9Å; V545-L549 HydrophobicContact CG1-CG 4.29Å; V545-L549 WeakPolarHBondContact O-CB 3.26Å; V545-L549 VanDerWaalsContact O-CG 3.31Å; V545-L549 WeakPolarHBondContact O-CG 3.38Å; V545-L549 PolarHBondContact O-N 2.86Å
546R96.8Very high94.3Very high2 Ų247.2 Ų47.21%0.00825%0.253CS..Hα-helixtrans-62-41175.3-76.1-179.564.984.217.3112.7L511 E514 T542 A543 V544 A548 L549 G550 I553 E643L511-R546 HydrophobicContact CD2-CG 3.52Å; E514-R546 VanDerWaalsContact OE2-CD 3.23Å; E514-R546 WeakPolarHBondContact OE2-CD 3.5Å; E514-R546 IonicContact OE2-CZ 3.91Å; E514-R546 IonicContact OE2-NE 3.9Å; E514-R546 PolarHBondContact OE2-NE 3.31Å; E514-R546 IonicContact OE2-NH1 3.76Å; E514-R546 PolarHBondContact OE2-NH1 3.34Å; T542-R546 HydrophobicContact CG2-CG 4.42Å; T542-R546 WeakPolarHBondContact O-CB 3.09Å; T542-R546 VanDerWaalsContact O-CG 3.28Å; T542-R546 WeakPolarHBondContact O-CG 3.31Å; T542-R546 PolarHBondContact O-N 3.4Å; A543-R546 PolarHBondContact O-N 3.36Å; V544-R546 VanDerWaalsContact C-N 3.28Å; V544-R546 PolarHBondContact O-N 3.02Å; R546-A548 VanDerWaalsContact C-N 3.34Å; R546-L549 CarbonylContact O-C 3.52Å; R546-L549 PolarHBondContact O-N 2.82Å; R546-G550 PolarHBondContact O-N 3.42Å; R546-I553 HydrophobicContact CB-CD1 4.15Å; R546-I553 HydrophobicContact CG-CD1 4.35Å; R546-I553 WeakPolarHBondContact O-CD1 3.43Å; R546-E643 HydrophobicContact CB-CG 4.33Å; R546-E643 WeakPolarHBondContact CB-OE1 3.42Å; R546-E643 IonicContact CZ-OE1 3.6Å; R546-E643 IonicContact CZ-OE2 3.99Å; R546-E643 IonicContact NE-OE1 3.36Å; R546-E643 PolarHBondContact NE-OE1 2.97Å; R546-E643 IonicContact NE-OE2 3.99Å; R546-E643 PolarHBondContact NE-OE2 3.49Å; R546-E643 IonicContact NH2-OE1 2.72Å; R546-E643 IonicContact NH2-OE2 3.56Å; R546-E643 PolarHBondContact NH2-OE2 3.47Å
547V95.7Very high94.3Very high51 Ų5145 Ų4531%0.30923%0.23SC..Hα-helixtrans-61.6-44.9175.5173.50000110.3A543 V544 V545 L549 G550 L642 E643A543-V547 WeakPolarHBondContact O-CG2 3.43Å; A543-V547 PolarHBondContact O-N 3.25Å; V544-V547 WeakPolarHBondContact O-CB 3.4Å; V544-V547 PolarHBondContact O-N 2.9Å; V544-V547 VanDerWaalsContact O-N 3.13Å; V545-V547 VanDerWaalsContact C-N 3.35Å; V545-V547 PolarHBondContact O-N 3.2Å; V547-L549 VanDerWaalsContact C-N 3.27Å; V547-L549 PolarHBondContact O-N 2.88Å; V547-G550 PolarHBondContact O-N 3.39Å; V547-L642 HydrophobicContact CG1-CB 4.34Å; V547-L642 HydrophobicContact CG2-CB 3.99Å; V547-E643 HydrophobicContact CG2-CG 4.38Å
548A96.7Very high94.2Very high45 Ų4542.1 Ų42.137%0.37221%0.214SC..Hα-helixtrans-60.9-35.6174.900000112.7T523 T527 V544 V545 R546 G550T523-A548 HydrophobicContact CG2-CB 3.83Å; T527-A548 HydrophobicContact CG2-CB 4.15Å; T527-A548 VanDerWaalsContact OG1-CB 3.29Å; T527-A548 WeakPolarHBondContact OG1-CB 3.2Å; V544-A548 PolarHBondContact O-N 2.89Å; V545-A548 PolarHBondContact O-N 2.87Å; R546-A548 VanDerWaalsContact C-N 3.34Å; A548-G550 VanDerWaalsContact C-N 3.27Å; A548-G550 PolarHBondContact O-N 3.37Å
549L96.2Very high93.8Very high6 Ų644.7 Ų44.73%0.03123%0.231CC..THydrogen-bonded Turntrans-82.15.6174.3-64.9177.2000114L511 V516 D520 T523 I524 V545 R546 V547 R551 A552 I553L511-L549 HydrophobicContact CD1-CD1 4.28Å; V516-L549 HydrophobicContact CG1-CD1 4.08Å; D520-L549 HydrophobicContact CB-CD2 3.96Å; T523-L549 HydrophobicContact CG2-CD2 4.04Å; I524-L549 HydrophobicContact CD1-CD1 4.24Å; I524-L549 HydrophobicContact CG1-CD1 3.95Å; I524-L549 HydrophobicContact CG1-CD2 4.33Å; I524-L549 HydrophobicContact CG1-CG 4.47Å; V545-L549 HydrophobicContact CG1-CD1 3.9Å; V545-L549 HydrophobicContact CG1-CG 4.29Å; V545-L549 WeakPolarHBondContact O-CB 3.26Å; V545-L549 VanDerWaalsContact O-CG 3.31Å; V545-L549 WeakPolarHBondContact O-CG 3.38Å; V545-L549 PolarHBondContact O-N 2.86Å; R546-L549 CarbonylContact O-C 3.52Å; R546-L549 PolarHBondContact O-N 2.82Å; V547-L549 VanDerWaalsContact C-N 3.27Å; V547-L549 PolarHBondContact O-N 2.88Å; L549-R551 VanDerWaalsContact C-N 3.26Å; L549-R551 PolarHBondContact O-N 3.32Å; L549-R551 VanDerWaalsContact O-N 3.11Å; L549-A552 WeakPolarHBondContact O-CA 3.49Å; L549-A552 WeakPolarHBondContact O-CB 3.42Å; L549-A552 PolarHBondContact O-N 3.3Å; L549-I553 HydrophobicContact CB-CD1 4.1Å; L549-I553 HydrophobicContact CB-CG1 4.32Å; L549-I553 WeakPolarHBondContact O-CG1 3.19Å; L549-I553 PolarHBondContact O-N 3.25Å
550G93.6Very high93.2Very high5 Ų542.8 Ų42.85%0.05224%0.24CC..Hα-helixtrans-54.5-37.2-17100000114.3R546 V547 A548 A552 I553 T554 E643R546-G550 PolarHBondContact O-N 3.42Å; V547-G550 PolarHBondContact O-N 3.39Å; A548-G550 VanDerWaalsContact C-N 3.27Å; A548-G550 PolarHBondContact O-N 3.37Å; G550-A552 PolarHBondContact O-N 2.82Å; G550-I553 PolarHBondContact O-N 3.12Å; G550-T554 VanDerWaalsContact O-CB 3.27Å; G550-T554 WeakPolarHBondContact O-CB 3.14Å; G550-T554 PolarHBondContact O-N 2.93Å; G550-T554 PolarHBondContact O-OG1 2.65Å; G550-E643 CarbonylContact C-O 3.55Å; G550-E643 WeakPolarHBondContact CA-O 3.39Å
551R91.3Very high92.1Very high210 Ų21043.5 Ų43.579%0.79224%0.241SC*.Hα-helixtrans-62.6-42.8174.9-66.3-178.369.5167.51.6112.5L549 Q555L549-R551 VanDerWaalsContact C-N 3.26Å; L549-R551 PolarHBondContact O-N 3.32Å; L549-R551 VanDerWaalsContact O-N 3.11Å; R551-Q555 VanDerWaalsContact O-CB 3.32Å; R551-Q555 WeakPolarHBondContact O-CB 3.24Å; R551-Q555 PolarHBondContact O-N 2.8Å
552A92.3Very high91.4Very high58 Ų5849 Ų4948%0.47927%0.271SS..Hα-helixtrans-69.2-43.7178.800000111.1L549 G550 Q555 Q556L549-A552 WeakPolarHBondContact O-CA 3.49Å; L549-A552 WeakPolarHBondContact O-CB 3.42Å; L549-A552 PolarHBondContact O-N 3.3Å; G550-A552 PolarHBondContact O-N 2.82Å; A552-Q555 PolarHBondContact O-N 2.83Å; A552-Q556 WeakPolarHBondContact O-CB 3.33Å; A552-Q556 PolarHBondContact O-N 2.82Å
553I93.8Very high90.9Very high1 Ų152.6 Ų52.61%0.00529%0.287CS..Hα-helixtrans-61.9-47.1177.4-63.9171.1000110.6V516 R546 L549 G550 Q555 Q556 W557 L639V516-I553 HydrophobicContact CG1-CD1 4.29Å; V516-I553 HydrophobicContact CG1-CG1 4.07Å; V516-I553 HydrophobicContact CG2-CD1 4.12Å; V516-I553 HydrophobicContact CG2-CG1 4.14Å; R546-I553 HydrophobicContact CB-CD1 4.15Å; R546-I553 HydrophobicContact CG-CD1 4.35Å; R546-I553 WeakPolarHBondContact O-CD1 3.43Å; L549-I553 HydrophobicContact CB-CD1 4.1Å; L549-I553 HydrophobicContact CB-CG1 4.32Å; L549-I553 WeakPolarHBondContact O-CG1 3.19Å; L549-I553 PolarHBondContact O-N 3.25Å; G550-I553 PolarHBondContact O-N 3.12Å; I553-Q555 VanDerWaalsContact C-N 3.34Å; I553-Q555 PolarHBondContact O-N 3.4Å; I553-Q556 PolarHBondContact O-N 2.87Å; I553-W557 PolarHBondContact O-N 3.45Å; I553-L639 HydrophobicContact CG2-CD1 4.21Å; I553-L639 HydrophobicContact CG2-CD2 3.43Å; I553-L639 VanDerWaalsContact CG2-CD2 3.43Å; I553-L639 HydrophobicContact CG2-CG 4.49Å
554T91.7Very high90.6Very high1 Ų152.4 Ų52.41%0.00629%0.286CS..Hα-helixtrans-60.4-44.5177.3-600000111.1G550 Q556 F558 E643 L644 R648G550-T554 VanDerWaalsContact O-CB 3.27Å; G550-T554 WeakPolarHBondContact O-CB 3.14Å; G550-T554 PolarHBondContact O-N 2.93Å; G550-T554 PolarHBondContact O-OG1 2.65Å; T554-Q556 VanDerWaalsContact C-N 3.35Å; T554-Q556 PolarHBondContact O-N 3.48Å; T554-F558 WeakPolarHBondContact O-CA 3.12Å; T554-F558 WeakPolarHBondContact O-CB 3.28Å; T554-F558 PolarHBondContact O-N 3.43Å; T554-E643 PolarHBondContact OG1-O 2.86Å; T554-E643 VanDerWaalsContact OG1-O 3.05Å; T554-L644 HydrophobicContact CG2-CD2 4.25Å; T554-L644 WeakPolarHBondContact OG1-CA 3.45Å; T554-R648 HydrophobicContact CG2-CG 4.21Å
555Q90.8Very high90.4Very high97 Ų9752.9 Ų52.945%0.45329%0.285SS..Hα-helixtrans-66-35.1179.5-17864.428.800112.9R551 A552 I553 P559R551-Q555 VanDerWaalsContact O-CB 3.32Å; R551-Q555 WeakPolarHBondContact O-CB 3.24Å; R551-Q555 PolarHBondContact O-N 2.8Å; A552-Q555 PolarHBondContact O-N 2.83Å; I553-Q555 VanDerWaalsContact C-N 3.34Å; I553-Q555 PolarHBondContact O-N 3.4Å; Q555-P559 WeakPolarHBondContact O-CA 3.44Å
556Q91.7Very high90.3Very high73 Ų7352.8 Ų52.834%0.34129%0.285SS..Hα-helixtrans-62.5-47.4178.1174.5-178.1-19.100111.8K515 A552 I553 T554K515-Q556 PolarHBondContact O-NE2 3.29Å; A552-Q556 WeakPolarHBondContact O-CB 3.33Å; A552-Q556 PolarHBondContact O-N 2.82Å; I553-Q556 PolarHBondContact O-N 2.87Å; T554-Q556 VanDerWaalsContact C-N 3.35Å; T554-Q556 PolarHBondContact O-N 3.48Å
557W91Very high90.2Very high51 Ų5152.7 Ų52.719%0.19328%0.284CS..Hα-helixtrans-86.3-27.1-176.4-67101.5000113.1I553 P559 P612 P613 V614 V637I553-W557 PolarHBondContact O-N 3.45Å; W557-P559 VanDerWaalsContact C-CD 3.5Å; W557-P612 HydrophobicContact CE3-CB 4.31Å; W557-P612 WeakPolarHBondContact O-CG 3.29Å; W557-P613 HydrophobicContact CZ3-CG 4.36Å; W557-V614 HydrophobicContact CB-CG2 4.02Å; W557-V614 HydrophobicContact CD2-CG2 4.08Å; W557-V614 HydrophobicContact CE3-CG2 4.08Å; W557-V614 HydrophobicContact CG-CG2 4.03Å; W557-V637 HydrophobicContact CD2-CG2 4.38Å; W557-V637 HydrophobicContact CH2-CB 4.38Å; W557-V637 HydrophobicContact CH2-CG2 3.33Å; W557-V637 HydrophobicContact CZ2-CB 4.06Å; W557-V637 HydrophobicContact CZ2-CG1 4.21Å; W557-V637 HydrophobicContact CZ2-CG2 3.15Å; W557-V637 HydrophobicContact CZ3-CG2 4.03Å
558F91Very high90.1Very high2 Ų250.4 Ų50.41%0.00927%0.271CS..SBendtrans-129.966.4-176.5-51.4-77.9000111.7T554 G560 V564 H565 V566 P612 V614 L639 L644T554-F558 WeakPolarHBondContact O-CA 3.12Å; T554-F558 WeakPolarHBondContact O-CB 3.28Å; T554-F558 PolarHBondContact O-N 3.43Å; F558-G560 PolarHBondContact O-N 2.93Å; F558-V564 HydrophobicContact CB-CG1 3.68Å; F558-V564 HydrophobicContact CD1-CB 4.05Å; F558-V564 HydrophobicContact CD1-CG1 3.84Å; F558-V564 HydrophobicContact CD2-CB 4.26Å; F558-V564 HydrophobicContact CD2-CG1 3.67Å; F558-V564 HydrophobicContact CE1-CB 4.17Å; F558-V564 HydrophobicContact CE1-CG1 4.4Å; F558-V564 HydrophobicContact CE2-CB 4.38Å; F558-V564 HydrophobicContact CE2-CG1 4.26Å; F558-V564 HydrophobicContact CG-CB 4.1Å; F558-V564 HydrophobicContact CG-CG1 3.44Å; F558-V564 VanDerWaalsContact CG-CG1 3.44Å; F558-V564 HydrophobicContact CZ-CB 4.34Å; F558-H565 WeakPolarHBondContact CE1-O 3.33Å; F558-V566 HydrophobicContact CE1-CG1 4.3Å; F558-V566 HydrophobicContact CE2-CG1 4.35Å; F558-V566 HydrophobicContact CZ-CG1 3.62Å; F558-P612 HydrophobicContact CD1-CG 3.9Å; F558-P612 HydrophobicContact CE1-CB 4.08Å; F558-P612 HydrophobicContact CE1-CG 3.72Å; F558-V614 HydrophobicContact CE2-CG1 4.27Å; F558-V614 HydrophobicContact CE2-CG2 4.22Å; F558-V614 HydrophobicContact CZ-CB 3.85Å; F558-V614 HydrophobicContact CZ-CG1 3.97Å; F558-V614 HydrophobicContact CZ-CG2 3.78Å; F558-L639 HydrophobicContact CE2-CD1 4.24Å; F558-L644 HydrophobicContact CE2-CD2 4.48Å
559P86.5Confident90Very high83 Ų8349.1 Ų49.154%0.53926%0.258SS..THydrogen-bonded Turntrans-67.9118.2-177.427.3-34.4000111.1Q555 W557 K561Q555-P559 WeakPolarHBondContact O-CA 3.44Å; W557-P559 VanDerWaalsContact C-CD 3.5Å; P559-K561 VanDerWaalsContact C-N 3.28Å; P559-K561 PolarHBondContact O-N 3.16Å
560G80Confident89.8Confident65 Ų6551.2 Ų51.267%0.6727%0.269SS*.THydrogen-bonded Turntrans70.89.3169.700000116.6F558F558-G560 PolarHBondContact O-N 2.93Å
561K72.7Confident89.7Confident109 Ų10954.7 Ų54.747%0.47429%0.289SS..  trans-103.9121.2-179.7-62.7-173.8179.9-179.50111.7P559 E563 R648P559-K561 VanDerWaalsContact C-N 3.28Å; P559-K561 PolarHBondContact O-N 3.16Å; K561-E563 WeakPolarHBondContact CB-O 3.47Å; K561-E563 PolarHBondContact O-N 3.1Å; K561-R648 VanDerWaalsContact O-CD 3.24Å; K561-R648 WeakPolarHBondContact O-CD 3.21Å; K561-R648 PolarHBondContact O-NE 3.24Å; K561-R648 PolarHBondContact O-NH1 3.42Å
562D81.1Confident89.7Confident117 Ų11748.6 Ų48.663%0.62628%0.277SS*.SBendtrans-65.9-28.9176-65.7-25000112.6R648 H649D562-R648 CarbonylContact O-C 3.59Å; D562-R648 WeakPolarHBondContact O-CA 3.47Å; D562-R648 IonicContact OD1-NH1 2.79Å; D562-H649 PolarHBondContact O-N 2.94Å
563E87Confident89.6Confident78 Ų7846.8 Ų46.836%0.36426%0.259SS..EExtended strand (participates in β ladder)trans-99.1128175.2-162.6177-165.300110.9K561 H565 H649 R651K561-E563 WeakPolarHBondContact CB-O 3.47Å; K561-E563 PolarHBondContact O-N 3.1Å; E563-H565 IonicContact OE1-NE2 3.24Å; E563-H565 IonicContact OE2-NE2 3.85Å; E563-H649 CarbonylContact C-O 3.53Å; E563-H649 VanDerWaalsContact CA-O 3.28Å; E563-H649 WeakPolarHBondContact CA-O 3.38Å; E563-H649 HydrophobicContact CG-CB 4.46Å; E563-R651 HydrophobicContact CG-CB 4.04Å; E563-R651 WeakPolarHBondContact OE1-CB 3.38Å; E563-R651 WeakPolarHBondContact OE1-CD 3.38Å; E563-R651 IonicContact OE1-NH1 3.5Å; E563-R651 IonicContact OE2-NH1 3.62Å
564V89.3Confident89.5Confident0 Ų048.9 Ų48.90%027%0.269CS..EExtended strand (participates in β ladder)trans-104.8112.9177.6-70.50000110.3F558 R648 H649 I650 R651F558-V564 HydrophobicContact CB-CG1 3.68Å; F558-V564 HydrophobicContact CD1-CB 4.05Å; F558-V564 HydrophobicContact CD1-CG1 3.84Å; F558-V564 HydrophobicContact CD2-CB 4.26Å; F558-V564 HydrophobicContact CD2-CG1 3.67Å; F558-V564 HydrophobicContact CE1-CB 4.17Å; F558-V564 HydrophobicContact CE1-CG1 4.4Å; F558-V564 HydrophobicContact CE2-CB 4.38Å; F558-V564 HydrophobicContact CE2-CG1 4.26Å; F558-V564 HydrophobicContact CG-CB 4.1Å; F558-V564 HydrophobicContact CG-CG1 3.44Å; F558-V564 VanDerWaalsContact CG-CG1 3.44Å; F558-V564 HydrophobicContact CZ-CB 4.34Å; V564-R648 HydrophobicContact CG1-CB 4.07Å; V564-R648 HydrophobicContact CG1-CG 4.23Å; V564-R648 HydrophobicContact CG2-CB 4.1Å; V564-H649 PolarHBondContact N-O 3.07Å; V564-I650 HydrophobicContact CG2-CB 4.19Å; V564-I650 HydrophobicContact CG2-CG1 3.73Å; V564-R651 PolarHBondContact O-N 3.42Å
565H92.3Very high89.5Confident55 Ų5556.7 Ų56.726%0.25530%0.298SS..EExtended strand (participates in β ladder)trans-87.9112.1178.6-70.5-175.8000109.8F558 E563 Q606 A611 R651 T653F558-H565 WeakPolarHBondContact CE1-O 3.33Å; E563-H565 IonicContact OE1-NE2 3.24Å; E563-H565 IonicContact OE2-NE2 3.85Å; H565-Q606 PolarHBondContact O-NE2 2.96Å; H565-Q606 VanDerWaalsContact O-NE2 3.13Å; H565-A611 HydrophobicContact CB-CB 4.15Å; H565-R651 WeakPolarHBondContact CA-O 3.33Å; H565-T653 HydrophobicContact CB-CG2 3.74Å
566V94.1Very high89.4Confident0 Ų055.8 Ų55.80%030%0.296CS..EExtended strand (participates in β ladder)trans-131.9156.3-173.8-67.30000111.5F558 V614 L616 I650 R651 M652 T653F558-V566 HydrophobicContact CE1-CG1 4.3Å; F558-V566 HydrophobicContact CE2-CG1 4.35Å; F558-V566 HydrophobicContact CZ-CG1 3.62Å; V566-V614 HydrophobicContact CG1-CB 4.31Å; V566-V614 HydrophobicContact CG1-CG1 3.9Å; V566-L616 HydrophobicContact CB-CB 3.96Å; V566-L616 HydrophobicContact CG1-CB 4.34Å; V566-L616 HydrophobicContact CG2-CB 3.87Å; V566-L616 HydrophobicContact CG2-CD2 3.95Å; V566-I650 HydrophobicContact CG2-CG2 3.64Å; V566-R651 PolarHBondContact N-O 3.21Å; V566-M652 HydrophobicContact CG2-CE 4.25Å; V566-M652 HydrophobicContact CG2-SD 3.65Å; V566-M652 WeakPolarHBondContact O-CA 3.29Å; V566-T653 PolarHBondContact O-N 3.37Å; V566-T653 PolarHBondContact O-OG1 3.35Å
567I95.7Very high89.4Confident0 Ų052.4 Ų52.40%028%0.28CS..EExtended strand (participates in β ladder)trans-81.9134.2165.3-54.6167.1000107.1A602 L603 Q606 V614 L615 L616 L636 A654 I656I567-A602 HydrophobicContact CD1-CB 3.94Å; I567-A602 HydrophobicContact CG1-CB 4.27Å; I567-A602 HydrophobicContact CG2-CB 3.78Å; I567-L603 HydrophobicContact CD1-CD2 4.5Å; I567-L603 HydrophobicContact CD1-CG 4.42Å; I567-Q606 HydrophobicContact CD1-CB 4.33Å; I567-Q606 HydrophobicContact CD1-CG 4.48Å; I567-V614 PolarHBondContact N-O 3.43Å; I567-L615 HydrophobicContact CB-CD1 4.13Å; I567-L615 HydrophobicContact CG2-CD1 3.88Å; I567-L615 WeakPolarHBondContact O-CA 3.41Å; I567-L615 WeakPolarHBondContact O-CD1 3.16Å; I567-L616 PolarHBondContact O-N 2.97Å; I567-L636 HydrophobicContact CD1-CD1 4.46Å; I567-A654 HydrophobicContact CG2-CB 4.34Å; I567-I656 HydrophobicContact CG2-CD1 3.66Å; I567-I656 HydrophobicContact CG2-CG1 3.82Å
568G94.1Very high89.4Confident2 Ų252 Ų522%0.02128%0.282CS..EExtended strand (participates in β ladder)trans-113166.9176.300000113M652 A654 T655 I656G568-M652 VanDerWaalsContact CA-SD 3.52Å; G568-A654 PolarHBondContact N-O 3.09Å; G568-T655 WeakPolarHBondContact O-CA 3.23Å; G568-I656 PolarHBondContact O-N 2.73Å
569L93.7Very high89.3Confident19 Ų1958.4 Ų58.410%0.09931%0.311CS..EExtended strand (participates in β ladder)trans-95.2144.2164.8-61.9-177.6000110.1L573 E574 L577 L595 L615 V617 L621 L625 I656L569-L573 HydrophobicContact CD2-CD2 4.07Å; L569-E574 HydrophobicContact CB-CB 4.45Å; L569-L577 HydrophobicContact CD1-CD1 3.83Å; L569-L595 HydrophobicContact CD2-CD1 4.5Å; L569-L615 HydrophobicContact CD2-CD1 4.18Å; L569-L615 HydrophobicContact CG-CD1 4.45Å; L569-V617 HydrophobicContact CD1-CB 4.36Å; L569-V617 HydrophobicContact CD1-CG1 3.69Å; L569-V617 HydrophobicContact CG-CG1 3.94Å; L569-L621 HydrophobicContact CD1-CD1 4.29Å; L569-L625 HydrophobicContact CD1-CD1 3.9Å; L569-I656 HydrophobicContact CD2-CB 3.95Å; L569-I656 HydrophobicContact CD2-CD1 4.16Å; L569-I656 HydrophobicContact CD2-CG2 4.26Å
570D92.8Very high89.3Confident50 Ų5055.7 Ų55.727%0.26730%0.296SS..  trans-72149.1168.1-168.621.4000110.4P572 L573 E574 T655 I656D570-P572 WeakPolarHBondContact OD1-CD 3.33Å; D570-P572 WeakPolarHBondContact OD2-CD 3.5Å; D570-L573 PolarHBondContact O-N 3.48Å; D570-L573 VanDerWaalsContact O-N 3.16Å; D570-E574 PolarHBondContact O-N 3.02Å; D570-T655 HydrophobicContact CB-CG2 3.78Å; D570-I656 WeakPolarHBondContact CB-O 3.36Å; D570-I656 PolarHBondContact N-O 3.4Å
571T91.4Very high89.5Confident77 Ų7755.7 Ų55.747%0.47228%0.281SS..Hα-helixtrans-59.3-41.9-173-56.60000113.7E574 R575T571-E574 PolarHBondContact O-N 2.82Å; T571-R575 WeakPolarHBondContact O-CG 3.36Å; T571-R575 PolarHBondContact O-N 3.1Å; T571-R575 VanDerWaalsContact O-N 3.1Å
572P91.2Very high90Very high83 Ų8358.6 Ų58.654%0.53930%0.296SS..Hα-helixtrans-64.1-39.8176.7-20.434.2000112.5D570 R575 L576D570-P572 WeakPolarHBondContact OD1-CD 3.33Å; D570-P572 WeakPolarHBondContact OD2-CD 3.5Å; P572-R575 PolarHBondContact O-N 2.74Å; P572-L576 PolarHBondContact O-N 3.05Å
573L90.6Very high90Very high20 Ų2056.3 Ų56.311%0.10530%0.3CS..Hα-helixtrans-66.5-44.4177.6177.362000110.9L569 D570 R575 L576 L577 L591 L595 I656L569-L573 HydrophobicContact CD2-CD2 4.07Å; D570-L573 PolarHBondContact O-N 3.48Å; D570-L573 VanDerWaalsContact O-N 3.16Å; L573-R575 VanDerWaalsContact C-N 3.32Å; L573-R575 PolarHBondContact O-N 2.74Å; L573-L576 PolarHBondContact O-N 3.3Å; L573-L577 HydrophobicContact CD1-CD1 4.17Å; L573-L577 HydrophobicContact CD1-CG 4.18Å; L573-L577 HydrophobicContact CG-CD1 3.98Å; L573-L577 HydrophobicContact CG-CG 4.43Å; L573-L577 VanDerWaalsContact O-CG 3.29Å; L573-L577 WeakPolarHBondContact O-CG 3.42Å; L573-L577 PolarHBondContact O-N 3.34Å; L573-L591 HydrophobicContact CD1-CD1 3.8Å; L573-L595 HydrophobicContact CD2-CD1 4.08Å; L573-I656 HydrophobicContact CD2-CB 4.36Å; L573-I656 HydrophobicContact CD2-CG2 3.73Å; L573-I656 WeakPolarHBondContact CD2-O 3.4Å
574E91.8Very high89.1Confident45 Ų4556 Ų5621%0.2132%0.318CS..Hα-helixtrans-57.9-44.5176.4-168.9-178.8142.900111.5L569 D570 T571 L576 L577 L578 N618 L621L569-E574 HydrophobicContact CB-CB 4.45Å; D570-E574 PolarHBondContact O-N 3.02Å; T571-E574 PolarHBondContact O-N 2.82Å; E574-L576 PolarHBondContact O-N 3.3Å; E574-L577 PolarHBondContact O-N 2.82Å; E574-L578 HydrophobicContact CG-CD1 4.29Å; E574-L578 WeakPolarHBondContact O-CB 2.88Å; E574-L578 WeakPolarHBondContact O-CG 3.26Å; E574-L578 PolarHBondContact O-N 3.28Å; E574-N618 HydrophobicContact CG-CB 4.38Å; E574-N618 WeakPolarHBondContact OE1-CB 3.35Å; E574-N618 PolarHBondContact OE1-ND2 2.93Å; E574-L621 HydrophobicContact CG-CD1 3.78Å
575R90.8Very high87.9Confident164 Ų16458.1 Ų58.162%0.61934%0.339SS*.Hα-helixtrans-62.6-42.4176.3-72.3177.2-175.11743.5112.5T571 P572 L573 L578 Q579T571-R575 WeakPolarHBondContact O-CG 3.36Å; T571-R575 PolarHBondContact O-N 3.1Å; T571-R575 VanDerWaalsContact O-N 3.1Å; P572-R575 PolarHBondContact O-N 2.74Å; L573-R575 VanDerWaalsContact C-N 3.32Å; L573-R575 PolarHBondContact O-N 2.74Å; R575-L578 PolarHBondContact O-N 3.17Å; R575-Q579 WeakPolarHBondContact O-CG 3.37Å; R575-Q579 PolarHBondContact O-N 2.7Å
576L89.4Confident87Confident79 Ų7958.9 Ų58.941%0.41436%0.362SS..Hα-helixtrans-62.6-46.1177.8-163.4173.3000110.4P572 L573 E574 L578 Q579 A580 L591P572-L576 PolarHBondContact O-N 3.05Å; L573-L576 PolarHBondContact O-N 3.3Å; E574-L576 PolarHBondContact O-N 3.3Å; L576-L578 VanDerWaalsContact C-N 3.34Å; L576-L578 PolarHBondContact O-N 2.86Å; L576-Q579 PolarHBondContact O-N 3.05Å; L576-A580 PolarHBondContact O-N 3.05Å; L576-L591 HydrophobicContact CD1-CD1 4.43Å; L576-L591 HydrophobicContact CD2-CD2 3.48Å; L576-L591 VanDerWaalsContact CD2-CD2 3.48Å
577L90.8Very high86.4Confident1 Ų160.4 Ų60.41%0.00537%0.37CS..Hα-helixtrans-62.6-39.6177.5-68169.9000112.3L569 L573 E574 A580 L581 L587 L591 L595 L621 L625L569-L577 HydrophobicContact CD1-CD1 3.83Å; L573-L577 HydrophobicContact CD1-CD1 4.17Å; L573-L577 HydrophobicContact CD1-CG 4.18Å; L573-L577 HydrophobicContact CG-CD1 3.98Å; L573-L577 HydrophobicContact CG-CG 4.43Å; L573-L577 VanDerWaalsContact O-CG 3.29Å; L573-L577 WeakPolarHBondContact O-CG 3.42Å; L573-L577 PolarHBondContact O-N 3.34Å; E574-L577 PolarHBondContact O-N 2.82Å; L577-A580 PolarHBondContact O-N 3.03Å; L577-L581 PolarHBondContact O-N 2.82Å; L577-L587 HydrophobicContact CD2-CD2 3.37Å; L577-L591 HydrophobicContact CD2-CD2 4.03Å; L577-L595 HydrophobicContact CD2-CD2 4.41Å; L577-L621 HydrophobicContact CB-CD1 3.83Å; L577-L621 HydrophobicContact CB-CD2 3.81Å; L577-L621 HydrophobicContact CB-CG 4.49Å; L577-L621 HydrophobicContact CD1-CD1 4.33Å; L577-L625 HydrophobicContact CD1-CD1 4.45Å; L577-L625 HydrophobicContact CD1-CD2 4.31Å
578L90.8Very high85.9Confident43 Ų4367.6 Ų67.623%0.22540%0.403CS..Hα-helixtrans-65-39.7175.7-76.5168.2000111.9E574 R575 L576 L581 Q582 A620 L621E574-L578 HydrophobicContact CG-CD1 4.29Å; E574-L578 WeakPolarHBondContact O-CB 2.88Å; E574-L578 WeakPolarHBondContact O-CG 3.26Å; E574-L578 PolarHBondContact O-N 3.28Å; R575-L578 PolarHBondContact O-N 3.17Å; L576-L578 VanDerWaalsContact C-N 3.34Å; L576-L578 PolarHBondContact O-N 2.86Å; L578-L581 PolarHBondContact O-N 3.22Å; L578-Q582 WeakPolarHBondContact O-CG 3.5Å; L578-Q582 PolarHBondContact O-N 2.68Å; L578-Q582 VanDerWaalsContact O-N 3.09Å; L578-A620 HydrophobicContact CD2-CB 3.96Å; L578-L621 HydrophobicContact CD2-CD1 4.37Å; L578-L621 HydrophobicContact CD2-CD2 3.79Å; L578-L621 HydrophobicContact CD2-CG 3.77Å; L578-L621 HydrophobicContact CG-CD1 4.1Å; L578-L621 HydrophobicContact CG-CD2 4Å; L578-L621 HydrophobicContact CG-CG 4.02Å
579Q88.5Confident85.4Confident136 Ų13672.2 Ų72.264%0.63643%0.433SS*.Hα-helixtrans-65.3-41.8175.1-73.7175.1-0.100111.8R575 L576 L581 Q582 G583R575-Q579 WeakPolarHBondContact O-CG 3.37Å; R575-Q579 PolarHBondContact O-N 2.7Å; L576-Q579 PolarHBondContact O-N 3.05Å; Q579-L581 VanDerWaalsContact C-N 3.33Å; Q579-L581 PolarHBondContact O-N 3.12Å; Q579-Q582 PolarHBondContact O-N 3.17Å; Q579-G583 PolarHBondContact O-N 3.4Å; Q579-G583 VanDerWaalsContact O-N 3.13Å
580A86.4Confident85.1Confident27 Ų2773.1 Ų73.122%0.22345%0.447CS..Hα-helixtrans-61.2-42.5175.400000111.7L576 L577 G583L576-A580 PolarHBondContact O-N 3.05Å; L577-A580 PolarHBondContact O-N 3.03Å; A580-G583 PolarHBondContact O-N 2.93Å
581L85.3Confident84.8Confident65 Ų6571.9 Ų71.934%0.3444%0.44SS..Hα-helixtrans-61.7-44.5177.1-173.972.8000112.2L577 L578 Q579 G583 G584 A620 L621 L624L577-L581 PolarHBondContact O-N 2.82Å; L578-L581 PolarHBondContact O-N 3.22Å; Q579-L581 VanDerWaalsContact C-N 3.33Å; Q579-L581 PolarHBondContact O-N 3.12Å; L581-G583 VanDerWaalsContact C-N 3.31Å; L581-G583 PolarHBondContact O-N 3.02Å; L581-G584 PolarHBondContact O-N 3.24Å; L581-A620 HydrophobicContact CD2-CB 4.31Å; L581-A620 VanDerWaalsContact CD2-O 3.25Å; L581-A620 WeakPolarHBondContact CD2-O 3.49Å; L581-L621 HydrophobicContact CD2-CD2 4.35Å; L581-L624 HydrophobicContact CD1-CB 4.31Å; L581-L624 HydrophobicContact CD1-CD1 3.59Å
582Q83.9Confident84.7Confident170 Ų17068.8 Ų68.879%0.79442%0.422SS*.Hα-helixtrans-65.8-31.8178.9-73.4-179.50.700113.1L578 Q579 G584L578-Q582 WeakPolarHBondContact O-CG 3.5Å; L578-Q582 PolarHBondContact O-N 2.68Å; L578-Q582 VanDerWaalsContact O-N 3.09Å; Q579-Q582 PolarHBondContact O-N 3.17Å; Q582-G584 PolarHBondContact O-N 3.03Å
583G79.2Confident84.7Confident68 Ų6870.2 Ų70.270%0.70143%0.425SS*.THydrogen-bonded Turntrans-72.1-7.6176.900000114.4Q579 A580 L581 G585Q579-G583 PolarHBondContact O-N 3.4Å; Q579-G583 VanDerWaalsContact O-N 3.13Å; A580-G583 PolarHBondContact O-N 2.93Å; L581-G583 VanDerWaalsContact C-N 3.31Å; L581-G583 PolarHBondContact O-N 3.02Å; G583-G585 PolarHBondContact O-N 2.9Å; G583-G585 VanDerWaalsContact O-N 3.07Å
584G70.2Confident84.6Confident73 Ų7377.4 Ų77.475%0.75345%0.451SS*.THydrogen-bonded Turntrans67.7-1-174.100000114.4L581 Q582L581-G584 PolarHBondContact O-N 3.24Å; Q582-G584 PolarHBondContact O-N 3.03Å
585G63.6Low84.6Confident43 Ų4375.4 Ų75.444%0.44344%0.442SS..PPolyproline II helixtrans-79.3142.617800000111.7G583G583-G585 PolarHBondContact O-N 2.9Å; G583-G585 VanDerWaalsContact O-N 3.07Å
586G73.5Confident84.7Confident71 Ų7169.6 Ų69.673%0.73242%0.423SS*.PPolyproline II helixtrans-61.4166.2167.700000111.9E588G586-E588 PolarHBondContact O-N 3.13Å
587L80.8Confident84.9Confident32 Ų3268.5 Ų68.517%0.16843%0.425CS..PPolyproline II helixtrans-60.5131.8174.4-66168000110.1L577 L591 A592 L595 L624 F628L577-L587 HydrophobicContact CD2-CD2 3.37Å; L587-L591 HydrophobicContact CD2-CD2 4.07Å; L587-A592 HydrophobicContact CB-CB 4.17Å; L587-L595 HydrophobicContact CD1-CD2 4.38Å; L587-L624 HydrophobicContact CD1-CD2 4Å; L587-L624 HydrophobicContact CD2-CD2 4.32Å; L587-L624 HydrophobicContact CG-CD2 4.24Å; L587-F628 HydrophobicContact CD1-CB 4.41Å; L587-F628 HydrophobicContact CD1-CD1 3.81Å; L587-F628 HydrophobicContact CD1-CD2 3.98Å; L587-F628 HydrophobicContact CD1-CE1 4.09Å; L587-F628 HydrophobicContact CD1-CE2 4.24Å; L587-F628 HydrophobicContact CD1-CG 3.78Å; L587-F628 HydrophobicContact CD1-CZ 4.3Å
588E84.7Confident85Confident151 Ų15170.2 Ų70.271%0.70643%0.433SS*.PPolyproline II helixtrans-57.8136.3171.2-70-170.315900109.9G586 G590 L591 A592G586-E588 PolarHBondContact O-N 3.13Å; E588-G590 VanDerWaalsContact C-N 3.28Å; E588-G590 PolarHBondContact O-N 2.82Å; E588-G590 VanDerWaalsContact O-N 3.15Å; E588-L591 HydrophobicContact CB-CB 4.43Å; E588-L591 WeakPolarHBondContact O-CB 3.09Å; E588-L591 PolarHBondContact O-N 2.8Å; E588-A592 PolarHBondContact O-N 3.3Å
589P84.1Confident85.2Confident100 Ų10068.2 Ų68.265%0.64942%0.422SS*.Hα-helixtrans-52.2-43-174.1-28.634000113.7L591 A592 D593P589-L591 VanDerWaalsContact C-N 3.31Å; P589-L591 PolarHBondContact O-N 2.93Å; P589-A592 WeakPolarHBondContact O-CB 3.32Å; P589-A592 PolarHBondContact O-N 3.33Å; P589-D593 PolarHBondContact O-N 3.25Å
590G87Confident85.4Confident37 Ų3766.4 Ų66.438%0.38141%0.414SS..Hα-helixtrans-69.7-23.618000000114.7E588 R594E588-G590 VanDerWaalsContact C-N 3.28Å; E588-G590 PolarHBondContact O-N 2.82Å; E588-G590 VanDerWaalsContact O-N 3.15Å; G590-R594 WeakPolarHBondContact O-CG 3.41Å; G590-R594 PolarHBondContact O-NE 2.86Å; G590-R594 VanDerWaalsContact O-NE 3.09Å
591L87.1Confident85.8Confident25 Ų2568.9 Ų68.913%0.13142%0.421CS..Hα-helixtrans-79.8-42.2170.6179.368.1000110.2L573 L576 L577 L587 E588 P589 R594 L595L573-L591 HydrophobicContact CD1-CD1 3.8Å; L576-L591 HydrophobicContact CD1-CD1 4.43Å; L576-L591 HydrophobicContact CD2-CD2 3.48Å; L576-L591 VanDerWaalsContact CD2-CD2 3.48Å; L577-L591 HydrophobicContact CD2-CD2 4.03Å; L587-L591 HydrophobicContact CD2-CD2 4.07Å; E588-L591 HydrophobicContact CB-CB 4.43Å; E588-L591 WeakPolarHBondContact O-CB 3.09Å; E588-L591 PolarHBondContact O-N 2.8Å; P589-L591 VanDerWaalsContact C-N 3.31Å; P589-L591 PolarHBondContact O-N 2.93Å; L591-R594 PolarHBondContact O-N 3.04Å; L591-L595 WeakPolarHBondContact O-CB 3.49Å; L591-L595 PolarHBondContact O-N 2.99Å
592A89Confident86.1Confident11 Ų1165.9 Ų65.99%0.09141%0.406CS..Hα-helixtrans-58.2-48177.800000111.7L587 E588 P589 R594 L595 L596 F628L587-A592 HydrophobicContact CB-CB 4.17Å; E588-A592 PolarHBondContact O-N 3.3Å; P589-A592 WeakPolarHBondContact O-CB 3.32Å; P589-A592 PolarHBondContact O-N 3.33Å; A592-R594 PolarHBondContact O-N 3.01Å; A592-L595 PolarHBondContact O-N 3.26Å; A592-L596 WeakPolarHBondContact O-CB 3.36Å; A592-L596 PolarHBondContact O-N 3.27Å; A592-F628 HydrophobicContact CB-CE2 3.86Å; A592-F628 HydrophobicContact CB-CZ 3.6Å
593D90.3Very high86.6Confident113 Ų11358 Ų5860%0.60437%0.369SS*.Hα-helixtrans-63.1-43.3178.8-69.8-25000111.9P589 L596 A597P589-D593 PolarHBondContact O-N 3.25Å; D593-L596 PolarHBondContact O-N 3.15Å; D593-A597 WeakPolarHBondContact O-CB 3.31Å; D593-A597 PolarHBondContact O-N 2.89Å
594R90.2Very high87.1Confident172 Ų17257.2 Ų57.265%0.64935%0.353SS*.Hα-helixtrans-64.6-44.6176.5-80.7-173.5-106.4-175.6-8.9112.1G590 L591 A592 L596 A597 Q598G590-R594 WeakPolarHBondContact O-CG 3.41Å; G590-R594 PolarHBondContact O-NE 2.86Å; G590-R594 VanDerWaalsContact O-NE 3.09Å; L591-R594 PolarHBondContact O-N 3.04Å; A592-R594 PolarHBondContact O-N 3.01Å; R594-L596 VanDerWaalsContact C-N 3.33Å; R594-L596 PolarHBondContact O-N 3.25Å; R594-A597 PolarHBondContact O-N 3.22Å; R594-Q598 WeakPolarHBondContact O-CB 3.45Å; R594-Q598 WeakPolarHBondContact O-CG 3.46Å; R594-Q598 PolarHBondContact O-N 2.83Å
595L91.9Very high88.1Confident2 Ų258.9 Ų58.91%0.0134%0.336CS..Hα-helixtrans-59.8-46.2178.3-179.365.7000110.4L569 L573 L577 L587 L591 A592 T599 L625 F628 L629 I656L569-L595 HydrophobicContact CD2-CD1 4.5Å; L573-L595 HydrophobicContact CD2-CD1 4.08Å; L577-L595 HydrophobicContact CD2-CD2 4.41Å; L587-L595 HydrophobicContact CD1-CD2 4.38Å; L591-L595 WeakPolarHBondContact O-CB 3.49Å; L591-L595 PolarHBondContact O-N 2.99Å; A592-L595 PolarHBondContact O-N 3.26Å; L595-T599 VanDerWaalsContact O-CB 3.28Å; L595-T599 WeakPolarHBondContact O-CB 3.33Å; L595-T599 PolarHBondContact O-N 3.41Å; L595-T599 PolarHBondContact O-OG1 3.45Å; L595-L625 HydrophobicContact CD2-CD2 3.72Å; L595-F628 HydrophobicContact CB-CE1 4.45Å; L595-F628 HydrophobicContact CD2-CD1 3.96Å; L595-F628 HydrophobicContact CD2-CE1 3.75Å; L595-F628 HydrophobicContact CG-CE1 4.25Å; L595-L629 HydrophobicContact CG-CD2 4.48Å; L595-I656 HydrophobicContact CD1-CG2 3.87Å
596L92.4Very high89.4Confident43 Ų4356.9 Ų56.923%0.22532%0.316CS..Hα-helixtrans-62.9-49.6178.1-172.6154.6000111.6A592 D593 R594 Q598 T599 Q600 S632A592-L596 WeakPolarHBondContact O-CB 3.36Å; A592-L596 PolarHBondContact O-N 3.27Å; D593-L596 PolarHBondContact O-N 3.15Å; R594-L596 VanDerWaalsContact C-N 3.33Å; R594-L596 PolarHBondContact O-N 3.25Å; L596-Q598 PolarHBondContact O-N 2.86Å; L596-T599 PolarHBondContact O-N 3.21Å; L596-Q600 PolarHBondContact O-N 2.85Å; L596-S632 WeakPolarHBondContact CD1-OG 3.37Å
597A92.6Very high90Very high55 Ų5559.1 Ų59.146%0.45531%0.307SS..Hα-helixtrans-60.7-45.2-179.800000112.3D593 R594 Q600 E601D593-A597 WeakPolarHBondContact O-CB 3.31Å; D593-A597 PolarHBondContact O-N 2.89Å; R594-A597 PolarHBondContact O-N 3.22Å; A597-Q600 PolarHBondContact O-N 3.12Å; A597-E601 PolarHBondContact O-N 3.3Å
598Q94Very high90.4Very high38 Ų3864.9 Ų64.918%0.17834%0.335CS..Hα-helixtrans-69.3-35178.1-70.8-174.3-5.800112.3R594 L596 Q600 E601 A602 I656 K659R594-Q598 WeakPolarHBondContact O-CB 3.45Å; R594-Q598 WeakPolarHBondContact O-CG 3.46Å; R594-Q598 PolarHBondContact O-N 2.83Å; L596-Q598 PolarHBondContact O-N 2.86Å; Q598-Q600 VanDerWaalsContact C-N 3.33Å; Q598-E601 PolarHBondContact O-N 3.02Å; Q598-A602 WeakPolarHBondContact O-CB 3.39Å; Q598-A602 PolarHBondContact O-N 3.09Å; Q598-I656 HydrophobicContact CB-CG2 3.83Å; Q598-K659 PolarHBondContact NE2-OXT 2.93Å
599T94.7Very high90.5Very high0 Ų063 Ų630%033%0.329CS..Hα-helixtrans-64.8-39.3174.4-54.20000110.9L595 L596 A602 L603 L629 L633 L636 I656L595-T599 VanDerWaalsContact O-CB 3.28Å; L595-T599 WeakPolarHBondContact O-CB 3.33Å; L595-T599 PolarHBondContact O-N 3.41Å; L595-T599 PolarHBondContact O-OG1 3.45Å; L596-T599 PolarHBondContact O-N 3.21Å; T599-A602 PolarHBondContact O-N 2.87Å; T599-L603 HydrophobicContact CG2-CD1 4.39Å; T599-L603 PolarHBondContact O-N 3.14Å; T599-L629 HydrophobicContact CG2-CD1 4.33Å; T599-L629 HydrophobicContact CG2-CD2 4.33Å; T599-L633 HydrophobicContact CG2-CD1 3.59Å; T599-L636 HydrophobicContact CG2-CD1 4.45Å; T599-L636 HydrophobicContact CG2-CD2 3.62Å; T599-I656 HydrophobicContact CG2-CD1 4.16Å; T599-I656 WeakPolarHBondContact OG1-CD1 3.45Å
600Q93.6Very high90.6Very high99 Ų9961.3 Ų61.346%0.46333%0.329SS..Hα-helixtrans-66.5-42.5176.2-166.5164.124.700112L596 A597 Q598 A602 L603 S604 L633L596-Q600 PolarHBondContact O-N 2.85Å; A597-Q600 PolarHBondContact O-N 3.12Å; Q598-Q600 VanDerWaalsContact C-N 3.33Å; Q600-A602 VanDerWaalsContact C-N 3.27Å; Q600-A602 PolarHBondContact O-N 3.36Å; Q600-L603 PolarHBondContact O-N 3.44Å; Q600-S604 PolarHBondContact O-N 3.32Å; Q600-S604 PolarHBondContact O-OG 3.1Å; Q600-L633 HydrophobicContact CB-CD2 4.35Å; Q600-L633 HydrophobicContact CG-CD2 4.27Å
601E93.2Very high90.7Very high79 Ų7960.1 Ų60.137%0.36932%0.316SS..Hα-helixtrans-61.4-36173.3-165.6-168.7150.600111.7A597 Q598 R605 K659A597-E601 PolarHBondContact O-N 3.3Å; Q598-E601 PolarHBondContact O-N 3.02Å; E601-R605 PolarHBondContact O-N 3.15Å; E601-R605 PolarHBondContact O-NE 2.98Å; E601-R605 IonicContact OE1-CZ 3.81Å; E601-R605 IonicContact OE1-NH1 2.67Å; E601-R605 IonicContact OE1-NH2 2.66Å; E601-R605 PolarHBondContact OE1-NH2 2.89Å; E601-R605 IonicContact OE2-NH2 3.01Å; E601-K659 IonicContact OE1-NZ 3.7Å; E601-K659 PolarHBondContact OE1-NZ 3.15Å; E601-K659 IonicContact OE2-NZ 2.9Å
602A93.1Very high90.9Very high2 Ų260.1 Ų60.12%0.01732%0.317CS..Hα-helixtrans-70.7-41.1175.800000112.3I567 Q598 T599 Q600 R605 Q606 A654 I656I567-A602 HydrophobicContact CD1-CB 3.94Å; I567-A602 HydrophobicContact CG1-CB 4.27Å; I567-A602 HydrophobicContact CG2-CB 3.78Å; Q598-A602 WeakPolarHBondContact O-CB 3.39Å; Q598-A602 PolarHBondContact O-N 3.09Å; T599-A602 PolarHBondContact O-N 2.87Å; Q600-A602 VanDerWaalsContact C-N 3.27Å; Q600-A602 PolarHBondContact O-N 3.36Å; A602-R605 WeakPolarHBondContact O-CB 3.08Å; A602-R605 PolarHBondContact O-N 3.46Å; A602-Q606 WeakPolarHBondContact O-CB 3.37Å; A602-Q606 PolarHBondContact O-N 3.17Å; A602-A654 HydrophobicContact CB-CB 3.88Å; A602-I656 HydrophobicContact CB-CG1 4.34Å
603L92.9Very high91.1Very high3 Ų361 Ų612%0.01632%0.322CS..Hα-helixtrans-60.6-47.3175.1-85.5163.9000112.1I567 T599 Q600 R605 Q606 E607 P613 L633 L636I567-L603 HydrophobicContact CD1-CD2 4.5Å; I567-L603 HydrophobicContact CD1-CG 4.42Å; T599-L603 HydrophobicContact CG2-CD1 4.39Å; T599-L603 PolarHBondContact O-N 3.14Å; Q600-L603 PolarHBondContact O-N 3.44Å; L603-R605 VanDerWaalsContact C-N 3.25Å; L603-R605 PolarHBondContact O-N 2.81Å; L603-Q606 WeakPolarHBondContact O-CA 3.49Å; L603-Q606 VanDerWaalsContact O-CB 3.31Å; L603-Q606 WeakPolarHBondContact O-CB 3.09Å; L603-Q606 PolarHBondContact O-N 2.61Å; L603-E607 WeakPolarHBondContact O-CG 3.38Å; L603-E607 PolarHBondContact O-N 3.01Å; L603-P613 HydrophobicContact CD2-CB 3.46Å; L603-P613 VanDerWaalsContact CD2-CB 3.46Å; L603-L633 HydrophobicContact CD1-CB 4.05Å; L603-L633 HydrophobicContact CD1-CD1 3.74Å; L603-L633 HydrophobicContact CD1-CD2 3.89Å; L603-L633 HydrophobicContact CD1-CG 4.09Å; L603-L636 HydrophobicContact CD1-CB 4.2Å; L603-L636 HydrophobicContact CD1-CD1 4.14Å; L603-L636 HydrophobicContact CD2-CB 4.44Å; L603-L636 HydrophobicContact CD2-CD1 3.67Å; L603-L636 HydrophobicContact CG-CD1 4Å
604S90.6Very high91.3Very high53 Ų5355.7 Ų55.737%0.37129%0.294SS..Hα-helixtrans-60.6-36.9177.4-58.10000112Q600 M608Q600-S604 PolarHBondContact O-N 3.32Å; Q600-S604 PolarHBondContact O-OG 3.1Å; S604-M608 VanDerWaalsContact O-CE 3.28Å; S604-M608 WeakPolarHBondContact O-CE 3.38Å; S604-M608 WeakPolarHBondContact O-CG 3.3Å; S604-M608 PolarHBondContact O-N 2.91Å; S604-M608 VanDerWaalsContact O-N 3.12Å
605R90.7Very high91.6Very high108 Ų10847.5 Ų47.541%0.40826%0.263SS..Hα-helixtrans-65.8-39.8172.2-80.1-173.1-87.6-143.9-6.9112.5E601 A602 L603 M608 L609E601-R605 PolarHBondContact O-N 3.15Å; E601-R605 PolarHBondContact O-NE 2.98Å; E601-R605 IonicContact OE1-CZ 3.81Å; E601-R605 IonicContact OE1-NH1 2.67Å; E601-R605 IonicContact OE1-NH2 2.66Å; E601-R605 PolarHBondContact OE1-NH2 2.89Å; E601-R605 IonicContact OE2-NH2 3.01Å; A602-R605 WeakPolarHBondContact O-CB 3.08Å; A602-R605 PolarHBondContact O-N 3.46Å; L603-R605 VanDerWaalsContact C-N 3.25Å; L603-R605 PolarHBondContact O-N 2.81Å; R605-M608 PolarHBondContact O-N 3.24Å; R605-L609 WeakPolarHBondContact O-CG 3.34Å; R605-L609 PolarHBondContact O-N 3.37Å; R605-L609 VanDerWaalsContact O-N 3.15Å
606Q90.4Very high91.7Very high1 Ų147.6 Ų47.61%0.00526%0.264CS..Hα-helixtrans-63.9-42.3178.5-162.172.1-13.200111.6H565 I567 A602 L603 L609 G610 A611 P612 T653H565-Q606 PolarHBondContact O-NE2 2.96Å; H565-Q606 VanDerWaalsContact O-NE2 3.13Å; I567-Q606 HydrophobicContact CD1-CB 4.33Å; I567-Q606 HydrophobicContact CD1-CG 4.48Å; A602-Q606 WeakPolarHBondContact O-CB 3.37Å; A602-Q606 PolarHBondContact O-N 3.17Å; L603-Q606 WeakPolarHBondContact O-CA 3.49Å; L603-Q606 VanDerWaalsContact O-CB 3.31Å; L603-Q606 WeakPolarHBondContact O-CB 3.09Å; L603-Q606 PolarHBondContact O-N 2.61Å; Q606-L609 PolarHBondContact O-N 3.27Å; Q606-G610 PolarHBondContact O-N 3.32Å; Q606-A611 VanDerWaalsContact CD-CB 3.47Å; Q606-A611 HydrophobicContact CG-CB 3.92Å; Q606-A611 PolarHBondContact O-N 3.03Å; Q606-P612 WeakPolarHBondContact CG-O 3.32Å; Q606-P612 PolarHBondContact NE2-O 2.89Å; Q606-T653 PolarHBondContact OE1-OG1 2.94Å
607E87.2Confident91.9Very high117 Ų11745.7 Ų45.755%0.54725%0.253SS..Hα-helixtrans-62.2-44.7174.4-73171.9-176.900111.8L603 L609 G610L603-E607 WeakPolarHBondContact O-CG 3.38Å; L603-E607 PolarHBondContact O-N 3.01Å; E607-L609 PolarHBondContact O-N 2.97Å; E607-G610 PolarHBondContact O-N 3.26Å
608M88Confident91.9Very high153 Ų15345.4 Ų45.475%0.75424%0.244SC*.Hα-helixtrans-60.6-31.5175.8-74.9-177.3-110.100113.2S604 R605 G610S604-M608 VanDerWaalsContact O-CE 3.28Å; S604-M608 WeakPolarHBondContact O-CE 3.38Å; S604-M608 WeakPolarHBondContact O-CG 3.3Å; S604-M608 PolarHBondContact O-N 2.91Å; S604-M608 VanDerWaalsContact O-N 3.12Å; R605-M608 PolarHBondContact O-N 3.24Å; M608-G610 VanDerWaalsContact C-N 3.3Å
609L88.2Confident91.9Very high113 Ų11346.3 Ų46.359%0.59225%0.248SC*.THydrogen-bonded Turntrans-82.3-6.2176.5-67.8170.9000113.2R605 Q606 E607 A611 T653R605-L609 WeakPolarHBondContact O-CG 3.34Å; R605-L609 PolarHBondContact O-N 3.37Å; R605-L609 VanDerWaalsContact O-N 3.15Å; Q606-L609 PolarHBondContact O-N 3.27Å; E607-L609 PolarHBondContact O-N 2.97Å; L609-A611 HydrophobicContact CB-CB 4.28Å; L609-A611 PolarHBondContact O-N 3.27Å; L609-T653 HydrophobicContact CD1-CG2 4.1Å
610G85.9Confident91.8Very high63 Ų6348.6 Ų48.665%0.64927%0.267SS*.THydrogen-bonded Turntrans62.125-171.200000113Q606 E607 M608Q606-G610 PolarHBondContact O-N 3.32Å; E607-G610 PolarHBondContact O-N 3.26Å; M608-G610 VanDerWaalsContact C-N 3.3Å
611A88.5Confident91.7Very high12 Ų1243.9 Ų43.910%0.09925%0.245CC..  trans-92.1152.8179.100000110.7H565 Q606 L609H565-A611 HydrophobicContact CB-CB 4.15Å; Q606-A611 VanDerWaalsContact CD-CB 3.47Å; Q606-A611 HydrophobicContact CG-CB 3.92Å; Q606-A611 PolarHBondContact O-N 3.03Å; L609-A611 HydrophobicContact CB-CB 4.28Å; L609-A611 PolarHBondContact O-N 3.27Å
612P90.6Very high91.8Very high25 Ų2540.6 Ų40.616%0.16223%0.229CC..  trans-63.2142.9178.8-22.333.9000112.3W557 F558 Q606 V614W557-P612 HydrophobicContact CE3-CB 4.31Å; W557-P612 WeakPolarHBondContact O-CG 3.29Å; F558-P612 HydrophobicContact CD1-CG 3.9Å; F558-P612 HydrophobicContact CE1-CB 4.08Å; F558-P612 HydrophobicContact CE1-CG 3.72Å; Q606-P612 WeakPolarHBondContact CG-O 3.32Å; Q606-P612 PolarHBondContact NE2-O 2.89Å; P612-V614 HydrophobicContact CB-CG2 3.99Å; P612-V614 PolarHBondContact O-N 2.88Å
613P93.4Very high91.7Very high31 Ų3142.6 Ų42.620%0.20124%0.243CC..  trans-76.365.2-179.133.5-37.1000111.9W557 L603 Q635 V637W557-P613 HydrophobicContact CZ3-CG 4.36Å; L603-P613 HydrophobicContact CD2-CB 3.46Å; L603-P613 VanDerWaalsContact CD2-CB 3.46Å; P613-Q635 WeakPolarHBondContact CG-O 3.4Å; P613-V637 PolarHBondContact O-N 3.38Å
614V95.4Very high91.6Very high0 Ų043.9 Ų43.90%025%0.249CC..EExtended strand (participates in β ladder)trans-113.6122.2-173.9175.20000110.9W557 F558 V566 I567 P612 V637 L639W557-V614 HydrophobicContact CB-CG2 4.02Å; W557-V614 HydrophobicContact CD2-CG2 4.08Å; W557-V614 HydrophobicContact CE3-CG2 4.08Å; W557-V614 HydrophobicContact CG-CG2 4.03Å; F558-V614 HydrophobicContact CE2-CG1 4.27Å; F558-V614 HydrophobicContact CE2-CG2 4.22Å; F558-V614 HydrophobicContact CZ-CB 3.85Å; F558-V614 HydrophobicContact CZ-CG1 3.97Å; F558-V614 HydrophobicContact CZ-CG2 3.78Å; V566-V614 HydrophobicContact CG1-CB 4.31Å; V566-V614 HydrophobicContact CG1-CG1 3.9Å; I567-V614 PolarHBondContact N-O 3.43Å; P612-V614 HydrophobicContact CB-CG2 3.99Å; P612-V614 PolarHBondContact O-N 2.88Å; V614-V637 CarbonylContact C-O 3.2Å; V614-V637 WeakPolarHBondContact CA-O 3.36Å; V614-V637 HydrophobicContact CG2-CB 4.44Å; V614-L639 HydrophobicContact CG1-CB 4.23Å; V614-L639 HydrophobicContact CG1-CD1 3.62Å; V614-L639 HydrophobicContact CG1-CG 3.73Å
615L96.1Very high91.7Very high0 Ų041.3 Ų41.30%023%0.231CC..EExtended strand (participates in β ladder)trans-97119.2168.8173.563.3000109.5I567 L569 V617 L629 L636 V637 V638 L639 I656I567-L615 HydrophobicContact CB-CD1 4.13Å; I567-L615 HydrophobicContact CG2-CD1 3.88Å; I567-L615 WeakPolarHBondContact O-CA 3.41Å; I567-L615 WeakPolarHBondContact O-CD1 3.16Å; L569-L615 HydrophobicContact CD2-CD1 4.18Å; L569-L615 HydrophobicContact CG-CD1 4.45Å; L615-V617 HydrophobicContact CD1-CG1 4.14Å; L615-V617 HydrophobicContact CD2-CG1 3.99Å; L615-V617 HydrophobicContact CG-CG1 3.7Å; L615-L629 HydrophobicContact CD2-CD1 3.52Å; L615-L636 HydrophobicContact CB-CD1 4Å; L615-L636 HydrophobicContact CB-CD2 4.35Å; L615-L636 HydrophobicContact CB-CG 4.4Å; L615-L636 HydrophobicContact CD2-CD2 4.33Å; L615-V637 PolarHBondContact N-O 3.26Å; L615-V638 HydrophobicContact CD2-CG2 4.34Å; L615-V638 CarbonylContact O-C 3.37Å; L615-V638 WeakPolarHBondContact O-CA 3.48Å; L615-L639 PolarHBondContact O-N 3.3Å; L615-I656 HydrophobicContact CD1-CD1 3.77Å; L615-I656 HydrophobicContact CD2-CD1 4.47Å
616L95.3Very high91.8Very high5 Ų536.3 Ų36.33%0.02621%0.213CC..EExtended strand (participates in β ladder)trans-95.3123.2177-17664.8000110.1V566 I567 L639 N641 L644 I650 M652V566-L616 HydrophobicContact CB-CB 3.96Å; V566-L616 HydrophobicContact CG1-CB 4.34Å; V566-L616 HydrophobicContact CG2-CB 3.87Å; V566-L616 HydrophobicContact CG2-CD2 3.95Å; I567-L616 PolarHBondContact O-N 2.97Å; L616-L639 HydrophobicContact CD1-CB 4.31Å; L616-N641 VanDerWaalsContact CD1-OD1 3.26Å; L616-N641 WeakPolarHBondContact CD1-OD1 3.35Å; L616-N641 WeakPolarHBondContact CD2-OD1 3.48Å; L616-N641 WeakPolarHBondContact CG-OD1 3.37Å; L616-L644 HydrophobicContact CD1-CD1 3.49Å; L616-L644 VanDerWaalsContact CD1-CD1 3.49Å; L616-L644 HydrophobicContact CD1-CG 4.08Å; L616-L644 HydrophobicContact CD2-CD1 3.61Å; L616-L644 HydrophobicContact CG-CD1 4.19Å; L616-I650 HydrophobicContact CD2-CD1 4Å; L616-I650 HydrophobicContact CD2-CG2 3.84Å; L616-M652 HydrophobicContact CD2-CE 3.99Å
617V95.1Very high91.8Very high2 Ų244.4 Ų44.41%0.01224%0.243CC..EExtended strand (participates in β ladder)trans-134.4166.2-176.6-61.30000112.5L569 L615 R622 L625 V638 L639 S640 N641L569-V617 HydrophobicContact CD1-CB 4.36Å; L569-V617 HydrophobicContact CD1-CG1 3.69Å; L569-V617 HydrophobicContact CG-CG1 3.94Å; L615-V617 HydrophobicContact CD1-CG1 4.14Å; L615-V617 HydrophobicContact CD2-CG1 3.99Å; L615-V617 HydrophobicContact CG-CG1 3.7Å; V617-R622 HydrophobicContact CG2-CB 3.88Å; V617-R622 HydrophobicContact CG2-CG 4.48Å; V617-L625 HydrophobicContact CB-CD1 4.06Å; V617-L625 HydrophobicContact CG1-CD1 3.47Å; V617-L625 VanDerWaalsContact CG1-CD1 3.47Å; V617-L625 HydrophobicContact CG2-CD1 4.3Å; V617-V638 HydrophobicContact CG1-CG1 4.34Å; V617-V638 HydrophobicContact CG2-CG1 3.55Å; V617-L639 WeakPolarHBondContact CG2-O 3.5Å; V617-L639 PolarHBondContact N-O 2.92Å; V617-S640 WeakPolarHBondContact O-CA 3.44Å; V617-N641 PolarHBondContact O-N 3.49Å; V617-N641 PolarHBondContact O-OD1 3.47Å
618N93.5Very high92Very high50 Ų5041.3 Ų41.327%0.26723%0.228SC..  trans-55.4142167.1-161.7-66.2000111.9E574 A620 L621 R622E574-N618 HydrophobicContact CG-CB 4.38Å; E574-N618 WeakPolarHBondContact OE1-CB 3.35Å; E574-N618 PolarHBondContact OE1-ND2 2.93Å; N618-A620 VanDerWaalsContact C-N 3.27Å; N618-A620 PolarHBondContact O-N 3.35Å; N618-A620 PolarHBondContact OD1-N 2.79Å; N618-L621 HydrophobicContact CB-CB 4.5Å; N618-L621 HydrophobicContact CB-CD1 4.28Å; N618-L621 HydrophobicContact CB-CG 4.28Å; N618-L621 PolarHBondContact O-N 2.94Å; N618-R622 PolarHBondContact O-N 2.61Å
619H93.8Very high92.2Very high56 Ų5634 Ų3426%0.25919%0.192SC..G310 helixtrans-52.7-43.8-178.8-173.861.1000112.9L621 R622 S640 L642H619-L621 VanDerWaalsContact C-N 3.27Å; H619-L621 PolarHBondContact O-N 2.94Å; H619-R622 PolarHBondContact O-N 3.16Å; H619-S640 WeakPolarHBondContact CA-OG 3.21Å; H619-S640 WeakPolarHBondContact CB-OG 3.25Å; H619-S640 PolarHBondContact ND1-OG 2.95Å; H619-L642 HydrophobicContact CB-CD1 3.89Å; H619-L642 HydrophobicContact CB-CG 4.2Å
620A91.7Very high92.3Very high48 Ų4831 Ų3140%0.39717%0.173SC..G310 helixtrans-65.3-28.6-178.900000113.4L578 L581 N618L578-A620 HydrophobicContact CD2-CB 3.96Å; L581-A620 HydrophobicContact CD2-CB 4.31Å; L581-A620 VanDerWaalsContact CD2-O 3.25Å; L581-A620 WeakPolarHBondContact CD2-O 3.49Å; N618-A620 VanDerWaalsContact C-N 3.27Å; N618-A620 PolarHBondContact O-N 3.35Å; N618-A620 PolarHBondContact OD1-N 2.79Å
621L92.7Very high92.4Very high0 Ų037.9 Ų37.90%018%0.18CC..G310 helixtrans-86.4-20.7-178.5-66.2-178.8000113.5L569 E574 L577 L578 L581 N618 H619 L624 L625L569-L621 HydrophobicContact CD1-CD1 4.29Å; E574-L621 HydrophobicContact CG-CD1 3.78Å; L577-L621 HydrophobicContact CB-CD1 3.83Å; L577-L621 HydrophobicContact CB-CD2 3.81Å; L577-L621 HydrophobicContact CB-CG 4.49Å; L577-L621 HydrophobicContact CD1-CD1 4.33Å; L578-L621 HydrophobicContact CD2-CD1 4.37Å; L578-L621 HydrophobicContact CD2-CD2 3.79Å; L578-L621 HydrophobicContact CD2-CG 3.77Å; L578-L621 HydrophobicContact CG-CD1 4.1Å; L578-L621 HydrophobicContact CG-CD2 4Å; L578-L621 HydrophobicContact CG-CG 4.02Å; L581-L621 HydrophobicContact CD2-CD2 4.35Å; N618-L621 HydrophobicContact CB-CB 4.5Å; N618-L621 HydrophobicContact CB-CD1 4.28Å; N618-L621 HydrophobicContact CB-CG 4.28Å; N618-L621 PolarHBondContact O-N 2.94Å; H619-L621 VanDerWaalsContact C-N 3.27Å; H619-L621 PolarHBondContact O-N 2.94Å; L621-L624 PolarHBondContact O-N 3.49Å; L621-L625 HydrophobicContact CB-CD1 3.92Å; L621-L625 HydrophobicContact CB-CG 4.39Å; L621-L625 PolarHBondContact O-N 2.95Å
622R95Very high92.5Very high10 Ų1040.5 Ų40.54%0.03820%0.197CC..Hα-helixtrans-53.8-49.3-172.1-179.3-124.165.988.7-12.6113.4E514 V617 N618 H619 L624 L625 S626 V638 E643E514-R622 IonicContact OE1-CZ 2.64Å; E514-R622 IonicContact OE1-NH1 3.92Å; E514-R622 PolarHBondContact OE1-NH1 3.4Å; E514-R622 IonicContact OE1-NH2 2.86Å; E514-R622 IonicContact OE2-CZ 3.32Å; E514-R622 IonicContact OE2-NH1 3.65Å; E514-R622 PolarHBondContact OE2-NH1 3.45Å; E514-R622 IonicContact OE2-NH2 3.24Å; V617-R622 HydrophobicContact CG2-CB 3.88Å; V617-R622 HydrophobicContact CG2-CG 4.48Å; N618-R622 PolarHBondContact O-N 2.61Å; H619-R622 PolarHBondContact O-N 3.16Å; R622-L624 VanDerWaalsContact C-N 3.35Å; R622-L624 PolarHBondContact O-N 3.36Å; R622-L625 PolarHBondContact O-N 3.38Å; R622-S626 WeakPolarHBondContact O-CB 3.42Å; R622-S626 PolarHBondContact O-N 3.43Å; R622-V638 HydrophobicContact CG-CG1 4.09Å; R622-E643 WeakPolarHBondContact CD-OE1 3.45Å
623P91.5Very high92.5Very high45 Ų4539.4 Ų39.429%0.29219%0.19SC..Hα-helixtrans-62-42-179.3-18.630000113R627P623-R627 WeakPolarHBondContact O-CB 3.28Å; P623-R627 PolarHBondContact O-N 3.44Å; P623-R627 VanDerWaalsContact O-N 3.14Å
624L90Very high92.2Very high29 Ų2941.6 Ų41.615%0.15220%0.204CC..Hα-helixtrans-64.5-50.9-179.9-179.2152.7000110.7L581 L587 L621 R622 R627 F628L581-L624 HydrophobicContact CD1-CB 4.31Å; L581-L624 HydrophobicContact CD1-CD1 3.59Å; L587-L624 HydrophobicContact CD1-CD2 4Å; L587-L624 HydrophobicContact CD2-CD2 4.32Å; L587-L624 HydrophobicContact CG-CD2 4.24Å; L621-L624 PolarHBondContact O-N 3.49Å; R622-L624 VanDerWaalsContact C-N 3.35Å; R622-L624 PolarHBondContact O-N 3.36Å; L624-R627 PolarHBondContact O-N 3Å; L624-F628 VanDerWaalsContact O-CB 3.29Å; L624-F628 WeakPolarHBondContact O-CB 3.29Å; L624-F628 PolarHBondContact O-N 3.47Å
625L92.8Very high91.8Very high0 Ų045.8 Ų45.80%022%0.223CC..Hα-helixtrans-69.7-39.8-177.1-69177.1000112.3L569 L577 L595 V617 L621 R622 R627 F628 L629 V638L569-L625 HydrophobicContact CD1-CD1 3.9Å; L577-L625 HydrophobicContact CD1-CD1 4.45Å; L577-L625 HydrophobicContact CD1-CD2 4.31Å; L595-L625 HydrophobicContact CD2-CD2 3.72Å; V617-L625 HydrophobicContact CB-CD1 4.06Å; V617-L625 HydrophobicContact CG1-CD1 3.47Å; V617-L625 VanDerWaalsContact CG1-CD1 3.47Å; V617-L625 HydrophobicContact CG2-CD1 4.3Å; L621-L625 HydrophobicContact CB-CD1 3.92Å; L621-L625 HydrophobicContact CB-CG 4.39Å; L621-L625 PolarHBondContact O-N 2.95Å; R622-L625 PolarHBondContact O-N 3.38Å; L625-R627 PolarHBondContact O-N 3Å; L625-F628 PolarHBondContact O-N 3.23Å; L625-L629 HydrophobicContact CB-CD1 4.35Å; L625-L629 VanDerWaalsContact O-CB 3.3Å; L625-L629 WeakPolarHBondContact O-CB 3.46Å; L625-L629 WeakPolarHBondContact O-CG 3.28Å; L625-L629 PolarHBondContact O-N 3.4Å; L625-V638 HydrophobicContact CB-CG1 4.2Å
626S93.1Very high91.7Very high3 Ų346.2 Ų46.22%0.02123%0.226CC..Hα-helixtrans-55.1-51.1173.6-178.80000110.8E514 R622 R630E514-S626 PolarHBondContact OE1-OG 2.72Å; R622-S626 WeakPolarHBondContact O-CB 3.42Å; R622-S626 PolarHBondContact O-N 3.43Å; S626-R630 WeakPolarHBondContact O-CB 3.37Å; S626-R630 PolarHBondContact O-N 3.09Å; S626-R630 VanDerWaalsContact O-N 3.09Å; S626-R630 PolarHBondContact OG-NH2 3.3Å
627R90.3Very high91.6Very high170 Ų17046.6 Ų46.664%0.64223%0.228SC*.Hα-helixtrans-67.4-39.7179.9-175177.465.3168.5-0.9113.2P623 L624 L625P623-R627 WeakPolarHBondContact O-CB 3.28Å; P623-R627 PolarHBondContact O-N 3.44Å; P623-R627 VanDerWaalsContact O-N 3.14Å; L624-R627 PolarHBondContact O-N 3Å; L625-R627 PolarHBondContact O-N 3Å
628F91Very high91.6Very high53 Ų5346.8 Ų46.823%0.23223%0.229CC..Hα-helixtrans-69-51.9-178.9172.1-110.4000111.4L587 A592 L595 L624 L625L587-F628 HydrophobicContact CD1-CB 4.41Å; L587-F628 HydrophobicContact CD1-CD1 3.81Å; L587-F628 HydrophobicContact CD1-CD2 3.98Å; L587-F628 HydrophobicContact CD1-CE1 4.09Å; L587-F628 HydrophobicContact CD1-CE2 4.24Å; L587-F628 HydrophobicContact CD1-CG 3.78Å; L587-F628 HydrophobicContact CD1-CZ 4.3Å; A592-F628 HydrophobicContact CB-CE2 3.86Å; A592-F628 HydrophobicContact CB-CZ 3.6Å; L595-F628 HydrophobicContact CB-CE1 4.45Å; L595-F628 HydrophobicContact CD2-CD1 3.96Å; L595-F628 HydrophobicContact CD2-CE1 3.75Å; L595-F628 HydrophobicContact CG-CE1 4.25Å; L624-F628 VanDerWaalsContact O-CB 3.29Å; L624-F628 WeakPolarHBondContact O-CB 3.29Å; L624-F628 PolarHBondContact O-N 3.47Å; L625-F628 PolarHBondContact O-N 3.23Å
629L93Very high91.7Very high0 Ų044.4 Ų44.40%022%0.217CC..Hα-helixtrans-75.8-33.3-173-63.9169.8000112.6L595 T599 L615 L625 R631 S632 L633 L636 V638L595-L629 HydrophobicContact CG-CD2 4.48Å; T599-L629 HydrophobicContact CG2-CD1 4.33Å; T599-L629 HydrophobicContact CG2-CD2 4.33Å; L615-L629 HydrophobicContact CD2-CD1 3.52Å; L625-L629 HydrophobicContact CB-CD1 4.35Å; L625-L629 VanDerWaalsContact O-CB 3.3Å; L625-L629 WeakPolarHBondContact O-CB 3.46Å; L625-L629 WeakPolarHBondContact O-CG 3.28Å; L625-L629 PolarHBondContact O-N 3.4Å; L629-R631 PolarHBondContact O-N 3.22Å; L629-R631 VanDerWaalsContact O-N 3.15Å; L629-S632 PolarHBondContact O-N 3.43Å; L629-S632 VanDerWaalsContact O-N 3.1Å; L629-L633 HydrophobicContact CD2-CD1 4.43Å; L629-L633 PolarHBondContact O-N 3.36Å; L629-L636 HydrophobicContact CB-CD2 3.84Å; L629-L636 HydrophobicContact CD1-CD2 3.65Å; L629-L636 HydrophobicContact CG-CD2 4.29Å; L629-V638 HydrophobicContact CD1-CG2 4.39Å
630R90.5Very high91.7Very high48 Ų4841.8 Ų41.818%0.18120%0.204CC..Hα-helixtrans-57.8-31.2-178.7-178.2176.5-59.9162.28.2113.7D513 E514 S626 S632 P634D513-R630 VanDerWaalsContact O-CZ 3.22Å; D513-R630 PolarHBondContact O-NH1 3.01Å; D513-R630 IonicContact OD1-NH1 3.47Å; D513-R630 IonicContact OD2-CZ 3.34Å; D513-R630 IonicContact OD2-NH1 3.55Å; D513-R630 PolarHBondContact OD2-NH1 3.33Å; E514-R630 VanDerWaalsContact CB-NH2 3.26Å; E514-R630 IonicContact OE1-NH2 3.42Å; E514-R630 PolarHBondContact OE1-NH2 3.38Å; S626-R630 WeakPolarHBondContact O-CB 3.37Å; S626-R630 PolarHBondContact O-N 3.09Å; S626-R630 VanDerWaalsContact O-N 3.09Å; S626-R630 PolarHBondContact OG-NH2 3.3Å; R630-S632 PolarHBondContact O-N 3.13Å; R630-P634 WeakPolarHBondContact O-CA 3.39Å
631R87.6Confident91.8Very high209 Ų20943 Ų4379%0.78921%0.205SC*.THydrogen-bonded Turntrans-61.5-33.3179.6-69.1-179.5177.9-172.1-2.5112.8L629L629-R631 PolarHBondContact O-N 3.22Å; L629-R631 VanDerWaalsContact O-N 3.15Å
632S90.4Very high91.8Very high67 Ų6748.1 Ų48.147%0.46923%0.231SC..THydrogen-bonded Turntrans-109.6-25.7-176-56.40000112.5L596 L629 R630L596-S632 WeakPolarHBondContact CD1-OG 3.37Å; L629-S632 PolarHBondContact O-N 3.43Å; L629-S632 VanDerWaalsContact O-N 3.1Å; R630-S632 PolarHBondContact O-N 3.13Å
633L91.1Very high91.7Very high2 Ų247.7 Ų47.71%0.0123%0.23CC..  trans-130.169.5-175.3-54.3170000108.9T599 Q600 L603 L629 Q635 L636T599-L633 HydrophobicContact CG2-CD1 3.59Å; Q600-L633 HydrophobicContact CB-CD2 4.35Å; Q600-L633 HydrophobicContact CG-CD2 4.27Å; L603-L633 HydrophobicContact CD1-CB 4.05Å; L603-L633 HydrophobicContact CD1-CD1 3.74Å; L603-L633 HydrophobicContact CD1-CD2 3.89Å; L603-L633 HydrophobicContact CD1-CG 4.09Å; L629-L633 HydrophobicContact CD2-CD1 4.43Å; L629-L633 PolarHBondContact O-N 3.36Å; L633-Q635 PolarHBondContact O-N 3.42Å; L633-Q635 VanDerWaalsContact O-N 3.17Å; L633-L636 HydrophobicContact CB-CB 3.99Å; L633-L636 HydrophobicContact CD1-CD2 4.47Å; L633-L636 WeakPolarHBondContact O-CB 3.47Å; L633-L636 PolarHBondContact O-N 3.04Å
634P86.4Confident91.5Very high76 Ų7646.1 Ų46.149%0.49422%0.219SC..THydrogen-bonded Turntrans-62.5-22.2-175.124.9-34.9000113.9R630R630-P634 WeakPolarHBondContact O-CA 3.39Å
635Q87Confident90.9Very high88 Ų8846.6 Ų46.641%0.41122%0.224SC..THydrogen-bonded Turntrans-78.8-16.3175.568.9-84.524.600114P613 L633P613-Q635 WeakPolarHBondContact CG-O 3.4Å; L633-Q635 PolarHBondContact O-N 3.42Å; L633-Q635 VanDerWaalsContact O-N 3.17Å
636L93.3Very high89.8Confident9 Ų954.3 Ų54.35%0.04727%0.266CS..  trans-77.2131.2-179-177.374.5000110.6I567 T599 L603 L615 L629 L633 V638I567-L636 HydrophobicContact CD1-CD1 4.46Å; T599-L636 HydrophobicContact CG2-CD1 4.45Å; T599-L636 HydrophobicContact CG2-CD2 3.62Å; L603-L636 HydrophobicContact CD1-CB 4.2Å; L603-L636 HydrophobicContact CD1-CD1 4.14Å; L603-L636 HydrophobicContact CD2-CB 4.44Å; L603-L636 HydrophobicContact CD2-CD1 3.67Å; L603-L636 HydrophobicContact CG-CD1 4Å; L615-L636 HydrophobicContact CB-CD1 4Å; L615-L636 HydrophobicContact CB-CD2 4.35Å; L615-L636 HydrophobicContact CB-CG 4.4Å; L615-L636 HydrophobicContact CD2-CD2 4.33Å; L629-L636 HydrophobicContact CB-CD2 3.84Å; L629-L636 HydrophobicContact CD1-CD2 3.65Å; L629-L636 HydrophobicContact CG-CD2 4.29Å; L633-L636 HydrophobicContact CB-CB 3.99Å; L633-L636 HydrophobicContact CD1-CD2 4.47Å; L633-L636 WeakPolarHBondContact O-CB 3.47Å; L633-L636 PolarHBondContact O-N 3.04Å; L636-V638 HydrophobicContact CD2-CG2 4.27Å
637V93.9Very high89Confident13 Ų1361.4 Ų61.48%0.07930%0.303CS..EExtended strand (participates in β ladder)trans-107.3127.3171.9177.50000110.4W557 P613 V614 L615 L639W557-V637 HydrophobicContact CD2-CG2 4.38Å; W557-V637 HydrophobicContact CH2-CB 4.38Å; W557-V637 HydrophobicContact CH2-CG2 3.33Å; W557-V637 HydrophobicContact CZ2-CB 4.06Å; W557-V637 HydrophobicContact CZ2-CG1 4.21Å; W557-V637 HydrophobicContact CZ2-CG2 3.15Å; W557-V637 HydrophobicContact CZ3-CG2 4.03Å; P613-V637 PolarHBondContact O-N 3.38Å; V614-V637 CarbonylContact C-O 3.2Å; V614-V637 WeakPolarHBondContact CA-O 3.36Å; V614-V637 HydrophobicContact CG2-CB 4.44Å; L615-V637 PolarHBondContact N-O 3.26Å; V637-L639 HydrophobicContact CG1-CD2 3.71Å; V637-L639 HydrophobicContact CG1-CG 4.13Å
638V95.5Very high88.6Confident6 Ų655.5 Ų55.54%0.03628%0.281CS..EExtended strand (participates in β ladder)trans-101.1114.4178.5-176.30000108.7L615 V617 R622 L625 L629 L636L615-V638 HydrophobicContact CD2-CG2 4.34Å; L615-V638 CarbonylContact O-C 3.37Å; L615-V638 WeakPolarHBondContact O-CA 3.48Å; V617-V638 HydrophobicContact CG1-CG1 4.34Å; V617-V638 HydrophobicContact CG2-CG1 3.55Å; R622-V638 HydrophobicContact CG-CG1 4.09Å; L625-V638 HydrophobicContact CB-CG1 4.2Å; L629-V638 HydrophobicContact CD1-CG2 4.39Å; L636-V638 HydrophobicContact CD2-CG2 4.27Å
639L95.5Very high88.4Confident1 Ų160 Ų601%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-107.7146.2177.8-61.6-171.8000111I553 F558 V614 L615 L616 V617 V637 E643 L644I553-L639 HydrophobicContact CG2-CD1 4.21Å; I553-L639 HydrophobicContact CG2-CD2 3.43Å; I553-L639 VanDerWaalsContact CG2-CD2 3.43Å; I553-L639 HydrophobicContact CG2-CG 4.49Å; F558-L639 HydrophobicContact CE2-CD1 4.24Å; V614-L639 HydrophobicContact CG1-CB 4.23Å; V614-L639 HydrophobicContact CG1-CD1 3.62Å; V614-L639 HydrophobicContact CG1-CG 3.73Å; L615-L639 PolarHBondContact O-N 3.3Å; L616-L639 HydrophobicContact CD1-CB 4.31Å; V617-L639 WeakPolarHBondContact CG2-O 3.5Å; V617-L639 PolarHBondContact N-O 2.92Å; V637-L639 HydrophobicContact CG1-CD2 3.71Å; V637-L639 HydrophobicContact CG1-CG 4.13Å; L639-E643 WeakPolarHBondContact CD2-OE2 3.48Å; L639-L644 HydrophobicContact CD1-CD2 4.37Å
640S94.4Very high88.2Confident0 Ų064 Ų640%032%0.323CS..EExtended strand (participates in β ladder)trans-83.8147.3170.1162.80000110.5V617 H619 L642 E643V617-S640 WeakPolarHBondContact O-CA 3.44Å; H619-S640 WeakPolarHBondContact CA-OG 3.21Å; H619-S640 WeakPolarHBondContact CB-OG 3.25Å; H619-S640 PolarHBondContact ND1-OG 2.95Å; S640-L642 PolarHBondContact O-N 3.45Å; S640-L642 VanDerWaalsContact O-N 3.16Å; S640-L642 PolarHBondContact OG-N 2.94Å; S640-L642 VanDerWaalsContact OG-N 3.1Å; S640-E643 PolarHBondContact N-OE2 3.1Å; S640-E643 WeakPolarHBondContact O-CB 3.39Å; S640-E643 PolarHBondContact O-N 2.84Å
641N92Very high88.2Confident75 Ų7568 Ų6840%0.40134%0.338SS..G310 helixtrans-52.6-34.5169.4-65.2-9.5000112.8L616 V617 E643 L644L616-N641 VanDerWaalsContact CD1-OD1 3.26Å; L616-N641 WeakPolarHBondContact CD1-OD1 3.35Å; L616-N641 WeakPolarHBondContact CD2-OD1 3.48Å; L616-N641 WeakPolarHBondContact CG-OD1 3.37Å; V617-N641 PolarHBondContact O-N 3.49Å; V617-N641 PolarHBondContact O-OD1 3.47Å; N641-E643 VanDerWaalsContact C-N 3.29Å; N641-E643 PolarHBondContact O-N 3.35Å; N641-L644 PolarHBondContact O-N 3.17Å
642L93.1Very high88.4Confident106 Ų10662.4 Ų62.456%0.55532%0.322SS*.G310 helixtrans-74-14.4177.8-60-178000114.2V547 H619 S640V547-L642 HydrophobicContact CG1-CB 4.34Å; V547-L642 HydrophobicContact CG2-CB 3.99Å; H619-L642 HydrophobicContact CB-CD1 3.89Å; H619-L642 HydrophobicContact CB-CG 4.2Å; S640-L642 PolarHBondContact O-N 3.45Å; S640-L642 VanDerWaalsContact O-N 3.16Å; S640-L642 PolarHBondContact OG-N 2.94Å; S640-L642 VanDerWaalsContact OG-N 3.1Å
643E92.6Very high88.4Confident1 Ų161.1 Ų61.11%0.00531%0.311CS..G310 helixtrans-86.5-15.8177.5-67.5167.9-164.500111.9R546 V547 G550 T554 R622 L639 S640 N641R546-E643 HydrophobicContact CB-CG 4.33Å; R546-E643 WeakPolarHBondContact CB-OE1 3.42Å; R546-E643 IonicContact CZ-OE1 3.6Å; R546-E643 IonicContact CZ-OE2 3.99Å; R546-E643 IonicContact NE-OE1 3.36Å; R546-E643 PolarHBondContact NE-OE1 2.97Å; R546-E643 IonicContact NE-OE2 3.99Å; R546-E643 PolarHBondContact NE-OE2 3.49Å; R546-E643 IonicContact NH2-OE1 2.72Å; R546-E643 IonicContact NH2-OE2 3.56Å; R546-E643 PolarHBondContact NH2-OE2 3.47Å; V547-E643 HydrophobicContact CG2-CG 4.38Å; G550-E643 CarbonylContact C-O 3.55Å; G550-E643 WeakPolarHBondContact CA-O 3.39Å; T554-E643 PolarHBondContact OG1-O 2.86Å; T554-E643 VanDerWaalsContact OG1-O 3.05Å; R622-E643 WeakPolarHBondContact CD-OE1 3.45Å; L639-E643 WeakPolarHBondContact CD2-OE2 3.48Å; S640-E643 PolarHBondContact N-OE2 3.1Å; S640-E643 WeakPolarHBondContact O-CB 3.39Å; S640-E643 PolarHBondContact O-N 2.84Å; N641-E643 VanDerWaalsContact C-N 3.29Å; N641-E643 PolarHBondContact O-N 3.35Å
644L88.8Confident88.3Confident13 Ų1361.5 Ų61.57%0.06832%0.315CS..SBendtrans-80.4128.9175.5-69.2178.8000110.2T554 F558 L616 L639 N641 I650T554-L644 HydrophobicContact CG2-CD2 4.25Å; T554-L644 WeakPolarHBondContact OG1-CA 3.45Å; F558-L644 HydrophobicContact CE2-CD2 4.48Å; L616-L644 HydrophobicContact CD1-CD1 3.49Å; L616-L644 VanDerWaalsContact CD1-CD1 3.49Å; L616-L644 HydrophobicContact CD1-CG 4.08Å; L616-L644 HydrophobicContact CD2-CD1 3.61Å; L616-L644 HydrophobicContact CG-CD1 4.19Å; L639-L644 HydrophobicContact CD1-CD2 4.37Å; N641-L644 PolarHBondContact O-N 3.17Å; L644-I650 HydrophobicContact CD1-CD1 3.71Å; L644-I650 HydrophobicContact CD1-CG1 4.02Å
645S76.4Confident88.6Confident38 Ų3861.6 Ų61.627%0.26631%0.314SS..  trans-66.3136.4174.759.30000111.8N647 R648S645-N647 PolarHBondContact O-N 3.05Å; S645-R648 PolarHBondContact O-N 3.21Å
646D69.3Low88.7Confident163 Ų16357.5 Ų57.587%0.87230%0.295SS*.THydrogen-bonded Turntrans-54.9-18.2-172.5-66-28.1000116.3
647N77.8Confident88.3Confident151 Ų15158 Ų5881%0.80730%0.303SS*.THydrogen-bonded Turntrans-90.77.1-174.2-64.9-1.8000114.5S645S645-N647 PolarHBondContact O-N 3.05Å
648R81.3Confident87.1Confident47 Ų4760.3 Ų60.318%0.17733%0.329CS..SBendtrans-104.7134.3-178.1-62.1-74.3-164.2-163.22.2111.1T554 K561 D562 V564 S645 I650T554-R648 HydrophobicContact CG2-CG 4.21Å; K561-R648 VanDerWaalsContact O-CD 3.24Å; K561-R648 WeakPolarHBondContact O-CD 3.21Å; K561-R648 PolarHBondContact O-NE 3.24Å; K561-R648 PolarHBondContact O-NH1 3.42Å; D562-R648 CarbonylContact O-C 3.59Å; D562-R648 WeakPolarHBondContact O-CA 3.47Å; D562-R648 IonicContact OD1-NH1 2.79Å; V564-R648 HydrophobicContact CG1-CB 4.07Å; V564-R648 HydrophobicContact CG1-CG 4.23Å; V564-R648 HydrophobicContact CG2-CB 4.1Å; S645-R648 PolarHBondContact O-N 3.21Å; R648-I650 PolarHBondContact O-N 2.93Å
649H86.9Confident85.4Confident146 Ų14669.2 Ų69.268%0.67637%0.367SS*.EExtended strand (participates in β ladder)trans-79.7118.6173.1-72.3-67.8000110.4D562 E563 V564D562-H649 PolarHBondContact O-N 2.94Å; E563-H649 CarbonylContact C-O 3.53Å; E563-H649 VanDerWaalsContact CA-O 3.28Å; E563-H649 WeakPolarHBondContact CA-O 3.38Å; E563-H649 HydrophobicContact CG-CB 4.46Å; V564-H649 PolarHBondContact N-O 3.07Å
650I89.4Confident84.9Confident85 Ų8572.7 Ų72.744%0.43639%0.385SS..EExtended strand (participates in β ladder)trans-85.2125.2-179.4-56.8169.1000109.8V564 V566 L616 L644 R648 M652V564-I650 HydrophobicContact CG2-CB 4.19Å; V564-I650 HydrophobicContact CG2-CG1 3.73Å; V566-I650 HydrophobicContact CG2-CG2 3.64Å; L616-I650 HydrophobicContact CD2-CD1 4Å; L616-I650 HydrophobicContact CD2-CG2 3.84Å; L644-I650 HydrophobicContact CD1-CD1 3.71Å; L644-I650 HydrophobicContact CD1-CG1 4.02Å; R648-I650 PolarHBondContact O-N 2.93Å; I650-M652 HydrophobicContact CG2-CE 4.01Å
651R90.6Very high84.4Confident133 Ų13376.5 Ų76.550%0.50241%0.405SS..EExtended strand (participates in β ladder)trans-121.4119.9171.9177.7167.6176.2-178.14.8110.7E563 V564 H565 V566 T653E563-R651 HydrophobicContact CG-CB 4.04Å; E563-R651 WeakPolarHBondContact OE1-CB 3.38Å; E563-R651 WeakPolarHBondContact OE1-CD 3.38Å; E563-R651 IonicContact OE1-NH1 3.5Å; E563-R651 IonicContact OE2-NH1 3.62Å; V564-R651 PolarHBondContact O-N 3.42Å; H565-R651 WeakPolarHBondContact CA-O 3.33Å; V566-R651 PolarHBondContact N-O 3.21Å; R651-T653 PolarHBondContact O-N 2.94Å
652M90.3Very high83.9Confident91 Ų9176.6 Ų76.645%0.44841%0.406SS..EExtended strand (participates in β ladder)trans-77.6115175-59.6-64.817900109.3V566 G568 L616 I650V566-M652 HydrophobicContact CG2-CE 4.25Å; V566-M652 HydrophobicContact CG2-SD 3.65Å; V566-M652 WeakPolarHBondContact O-CA 3.29Å; G568-M652 VanDerWaalsContact CA-SD 3.52Å; L616-M652 HydrophobicContact CD2-CE 3.99Å; I650-M652 HydrophobicContact CG2-CE 4.01Å
653T90.5Very high83.4Confident40 Ų4074.8 Ų74.825%0.24540%0.397CS..EExtended strand (participates in β ladder)trans-86.6-28.5176.146.70000112.2H565 V566 Q606 L609 R651H565-T653 HydrophobicContact CB-CG2 3.74Å; V566-T653 PolarHBondContact O-N 3.37Å; V566-T653 PolarHBondContact O-OG1 3.35Å; Q606-T653 PolarHBondContact OE1-OG1 2.94Å; L609-T653 HydrophobicContact CD1-CG2 4.1Å; R651-T653 PolarHBondContact O-N 2.94Å
654A90.1Very high82.8Confident10 Ų1079.4 Ų79.48%0.08342%0.421CS..EExtended strand (participates in β ladder)trans-146.1151.2175.200000109.8I567 G568 A602I567-A654 HydrophobicContact CG2-CB 4.34Å; G568-A654 PolarHBondContact N-O 3.09Å; A602-A654 HydrophobicContact CB-CB 3.88Å
655T91.7Very high82.4Confident77 Ų7783.9 Ų83.947%0.47245%0.445SS..EExtended strand (participates in β ladder)trans-127.9124178-50.70000109.4G568 D570G568-T655 WeakPolarHBondContact O-CA 3.23Å; D570-T655 HydrophobicContact CB-CG2 3.78Å
656I90.2Very high82.9Confident2 Ų287.1 Ų87.11%0.0146%0.458CS..EExtended strand (participates in β ladder)trans-87.1132.6178.3-58.5167.6000108.3I567 G568 L569 D570 L573 L595 Q598 T599 A602 L615I567-I656 HydrophobicContact CG2-CD1 3.66Å; I567-I656 HydrophobicContact CG2-CG1 3.82Å; G568-I656 PolarHBondContact O-N 2.73Å; L569-I656 HydrophobicContact CD2-CB 3.95Å; L569-I656 HydrophobicContact CD2-CD1 4.16Å; L569-I656 HydrophobicContact CD2-CG2 4.26Å; D570-I656 WeakPolarHBondContact CB-O 3.36Å; D570-I656 PolarHBondContact N-O 3.4Å; L573-I656 HydrophobicContact CD2-CB 4.36Å; L573-I656 HydrophobicContact CD2-CG2 3.73Å; L573-I656 WeakPolarHBondContact CD2-O 3.4Å; L595-I656 HydrophobicContact CD1-CG2 3.87Å; Q598-I656 HydrophobicContact CB-CG2 3.83Å; T599-I656 HydrophobicContact CG2-CD1 4.16Å; T599-I656 WeakPolarHBondContact OG1-CD1 3.45Å; A602-I656 HydrophobicContact CB-CG1 4.34Å; L615-I656 HydrophobicContact CD1-CD1 3.77Å; L615-I656 HydrophobicContact CD2-CD1 4.47Å
657G84.7Confident83.9Confident21 Ų2181.3 Ų81.322%0.21643%0.426CS..THydrogen-bonded Turntrans99-5.8-178.400000115.7K659G657-K659 PolarHBondContact O-N 2.93Å
658G69Low84.4Confident60 Ų6075.5 Ų75.562%0.61939%0.394SS*.  trans-75.14.4-178.400000116
659K58.2Low84.7Confident194 Ų19478.1 Ų78.184%0.84341%0.414SS*.  trans-1270173.1-64177.3-173.2165.70107.7Q598 E601 G657Q598-K659 PolarHBondContact NE2-OXT 2.93Å; E601-K659 IonicContact OE1-NZ 3.7Å; E601-K659 PolarHBondContact OE1-NZ 3.15Å; E601-K659 IonicContact OE2-NZ 2.9Å; G657-K659 PolarHBondContact O-N 2.93Å

Retrieved 659 of 659 residues in 1227.3 ms (Link to these results)

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