A0A077ZBZ9_TRITR Loading...

DUF7041 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZBZ9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 306 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
1M62.8Low84.5Confident172 Ų17269.5 Ų69.585%0.84742%0.416SS*.  0141.80-36.9167.8177.200109R25M1-R25 VanDerWaalsContact C-NH2 3.34Å; M1-R25 VanDerWaalsContact CA-NH2 3.26Å; M1-R25 PolarHBondContact O-NH1 3.24Å; M1-R25 VanDerWaalsContact O-NH1 3.11Å; M1-R25 PolarHBondContact O-NH2 2.94Å
2A84.3Confident84.8Confident87 Ų8768.9 Ų68.972%0.71941%0.405SS*.PPolyproline II helixtrans-70.6162.8177.300000112.1F21A2-F21 WeakPolarHBondContact O-CE2 3.49Å
3V89Confident85Confident33 Ų3369.8 Ų69.820%0.241%0.406CS..PPolyproline II helixtrans-61.1137.1169.2-176.50000108.5T5 L18 F21 L36 A40V3-T5 PolarHBondContact O-N 2.85Å; V3-L18 HydrophobicContact CG1-CD2 3.76Å; V3-F21 HydrophobicContact CG2-CE1 4.2Å; V3-F21 HydrophobicContact CG2-CZ 3.99Å; V3-L36 HydrophobicContact CG2-CB 4.48Å; V3-L36 HydrophobicContact CG2-CD2 3.9Å; V3-A40 HydrophobicContact CB-CB 4.4Å; V3-A40 HydrophobicContact CG1-CB 3.67Å
4P90.7Very high85.6Confident15 Ų1564.8 Ų64.810%0.09738%0.377CS..PPolyproline II helixtrans-55.1126.9175.7-25.233.7000112.1W14 R17 L18 F21P4-W14 PolarHBondContact O-NE1 3.33Å; P4-R17 HydrophobicContact CB-CB 4.3Å; P4-R17 HydrophobicContact CG-CB 4.33Å; P4-L18 HydrophobicContact CG-CD2 4.28Å; P4-F21 HydrophobicContact CG-CB 4.05Å; P4-F21 HydrophobicContact CG-CG 4.38Å
5T91.7Very high86.1Confident105 Ų10560.5 Ų60.564%0.64435%0.353SS*.PPolyproline II helixtrans-61.2137.4175.153.80000111.2V3 W14V3-T5 PolarHBondContact O-N 2.85Å; T5-W14 PolarHBondContact O-NE1 3.04Å
6F91.5Very high86.6Confident22 Ų2259.6 Ų59.610%0.09635%0.354CS..PPolyproline II helixtrans-55.9141177.8-173.8-108000112.7P8 W14 A40 M41 P42 T45 L74F6-P8 HydrophobicContact CD1-CB 4.37Å; F6-P8 HydrophobicContact CE1-CB 3.88Å; F6-W14 HydrophobicContact CB-CZ2 4.37Å; F6-W14 AromaticContact CD2-CD2 3.55Å; F6-W14 HydrophobicContact CD2-CD2 3.55Å; F6-W14 AromaticContact CD2-CE2 3.71Å; F6-W14 AromaticContact CD2-CE3 3.57Å; F6-W14 HydrophobicContact CD2-CE3 3.57Å; F6-W14 HydrophobicContact CD2-CG 4.14Å; F6-W14 AromaticContact CD2-CH2 3.85Å; F6-W14 HydrophobicContact CD2-CH2 3.85Å; F6-W14 AromaticContact CD2-CZ2 3.83Å; F6-W14 HydrophobicContact CD2-CZ2 3.83Å; F6-W14 AromaticContact CD2-CZ3 3.73Å; F6-W14 HydrophobicContact CD2-CZ3 3.73Å; F6-W14 HydrophobicContact CE2-CD2 4.12Å; F6-W14 AromaticContact CE2-CE3 3.73Å; F6-W14 HydrophobicContact CE2-CE3 3.73Å; F6-W14 HydrophobicContact CE2-CH2 4.4Å; F6-W14 AromaticContact CE2-CZ3 3.89Å; F6-W14 HydrophobicContact CE2-CZ3 3.89Å; F6-A40 WeakPolarHBondContact CB-O 3.39Å; F6-A40 PolarHBondContact N-O 2.66Å; F6-M41 HydrophobicContact CD2-CG 3.86Å; F6-M41 HydrophobicContact CE2-CE 4.39Å; F6-M41 HydrophobicContact CE2-CG 4.3Å; F6-M41 HydrophobicContact CG-CG 4.23Å; F6-P42 VanDerWaalsContact CD1-CD 3.49Å; F6-P42 HydrophobicContact CD1-CG 4.07Å; F6-T45 HydrophobicContact CE1-CG2 3.76Å; F6-T45 WeakPolarHBondContact CE1-OG1 3.42Å; F6-T45 HydrophobicContact CE2-CG2 4.42Å; F6-T45 HydrophobicContact CZ-CG2 3.69Å; F6-L74 HydrophobicContact CZ-CD1 3.92Å
7L88.7Confident87Confident53 Ų5362.2 Ų62.228%0.27736%0.356SS..  trans-120.795.1179.5-173.562.8000109.4T9 D10 L13 W14L7-T9 PolarHBondContact O-N 3Å; L7-D10 HydrophobicContact CD2-CB 3.88Å; L7-D10 HydrophobicContact CG-CB 4.34Å; L7-D10 CarbonylContact O-C 3.59Å; L7-D10 VanDerWaalsContact O-C 3.26Å; L7-D10 PolarHBondContact O-N 3.46Å; L7-L13 HydrophobicContact CD2-CD2 3.95Å; L7-L13 HydrophobicContact CD2-CG 4.48Å; L7-W14 HydrophobicContact CB-CB 4.07Å
8P81.8Confident87.4Confident91 Ų9158.7 Ų58.759%0.59134%0.337SS*.THydrogen-bonded Turntrans-65.9-26.5-176.224.3-32.8000113F6 D10F6-P8 HydrophobicContact CD1-CB 4.37Å; F6-P8 HydrophobicContact CE1-CB 3.88Å; P8-D10 VanDerWaalsContact C-N 3.32Å
9T80.3Confident87.7Confident123 Ų12357.9 Ų57.976%0.75533%0.331SS*.THydrogen-bonded Turntrans-72.7-25.2179.2-38.50000113.1L7L7-T9 PolarHBondContact O-N 3Å
10D83Confident88.1Confident59 Ų5960.6 Ų60.632%0.31634%0.344SS..  trans-150.678.3-177.4-170.9-11.6000109.7L7 P8 E12 L13 W14L7-D10 HydrophobicContact CD2-CB 3.88Å; L7-D10 HydrophobicContact CG-CB 4.34Å; L7-D10 CarbonylContact O-C 3.59Å; L7-D10 VanDerWaalsContact O-C 3.26Å; L7-D10 PolarHBondContact O-N 3.46Å; P8-D10 VanDerWaalsContact C-N 3.32Å; D10-E12 PolarHBondContact O-N 2.72Å; D10-E12 PolarHBondContact OD1-N 3.15Å; D10-L13 HydrophobicContact CB-CB 4.08Å; D10-L13 PolarHBondContact O-N 3.45Å; D10-L13 WeakPolarHBondContact OD1-CB 3.29Å; D10-L13 PolarHBondContact OD1-N 2.73Å; D10-L13 VanDerWaalsContact OD2-CB 3.28Å; D10-L13 WeakPolarHBondContact OD2-CB 3.3Å; D10-W14 PolarHBondContact O-N 3.09Å
11P86.3Confident88.4Confident5 Ų558.9 Ų58.93%0.03233%0.332CS..Hα-helixtrans-64.3-30-17923.7-32000112.1W14 F15 L71 L74 M75P11-W14 PolarHBondContact O-N 3.26Å; P11-F15 WeakPolarHBondContact O-CD2 3.1Å; P11-F15 PolarHBondContact O-N 2.74Å; P11-L71 HydrophobicContact CB-CD2 4.46Å; P11-L74 HydrophobicContact CB-CD1 4.47Å; P11-L74 HydrophobicContact CG-CB 4.39Å; P11-M75 HydrophobicContact CG-CE 4.4Å; P11-M75 HydrophobicContact CG-CG 4Å; P11-M75 HydrophobicContact CG-SD 4.29Å
12E87.2Confident89.9Confident62 Ų6250.8 Ų50.829%0.2929%0.293SS..Hα-helixtrans-62.1-48.5175.1-77.9-169.7160.800112.1D10 W14 F15 A16 L71 M75 R78D10-E12 PolarHBondContact O-N 2.72Å; D10-E12 PolarHBondContact OD1-N 3.15Å; E12-W14 PolarHBondContact O-N 2.98Å; E12-F15 PolarHBondContact O-N 3.12Å; E12-A16 PolarHBondContact O-N 3.34Å; E12-L71 HydrophobicContact CB-CD2 4.41Å; E12-L71 HydrophobicContact CG-CD2 3.47Å; E12-L71 VanDerWaalsContact CG-CD2 3.47Å; E12-M75 HydrophobicContact CG-CE 4.22Å; E12-M75 HydrophobicContact CG-SD 3.83Å; E12-R78 IonicContact OE1-CZ 3.92Å; E12-R78 IonicContact OE1-NH1 3.32Å; E12-R78 PolarHBondContact OE1-NH1 3.42Å; E12-R78 IonicContact OE1-NH2 3.72Å; E12-R78 IonicContact OE2-CZ 3.51Å; E12-R78 IonicContact OE2-NH1 3.78Å; E12-R78 PolarHBondContact OE2-NH1 3.32Å; E12-R78 IonicContact OE2-NH2 3.39Å; E12-R78 PolarHBondContact OE2-NH2 3.48Å
13L87.8Confident90.4Very high80 Ų8054.5 Ų54.542%0.41929%0.288SS..Hα-helixtrans-60.8-38.2176.717760.7000111.3L7 D10 A16 R17L7-L13 HydrophobicContact CD2-CD2 3.95Å; L7-L13 HydrophobicContact CD2-CG 4.48Å; D10-L13 HydrophobicContact CB-CB 4.08Å; D10-L13 PolarHBondContact O-N 3.45Å; D10-L13 WeakPolarHBondContact OD1-CB 3.29Å; D10-L13 PolarHBondContact OD1-N 2.73Å; D10-L13 VanDerWaalsContact OD2-CB 3.28Å; D10-L13 WeakPolarHBondContact OD2-CB 3.3Å; L13-A16 PolarHBondContact O-N 3.47Å; L13-R17 HydrophobicContact CD1-CG 4.5Å; L13-R17 VanDerWaalsContact O-CG 3.31Å; L13-R17 WeakPolarHBondContact O-CG 3.35Å; L13-R17 PolarHBondContact O-N 2.82Å
14W93Very high90.6Very high0 Ų058.7 Ų58.70%031%0.305CS..Hα-helixtrans-62.9-47.4176.217870.7000112.3P4 T5 F6 L7 D10 P11 E12 A16 R17 L18 A37 A40 M41P4-W14 PolarHBondContact O-NE1 3.33Å; T5-W14 PolarHBondContact O-NE1 3.04Å; F6-W14 HydrophobicContact CB-CZ2 4.37Å; F6-W14 AromaticContact CD2-CD2 3.55Å; F6-W14 HydrophobicContact CD2-CD2 3.55Å; F6-W14 AromaticContact CD2-CE2 3.71Å; F6-W14 AromaticContact CD2-CE3 3.57Å; F6-W14 HydrophobicContact CD2-CE3 3.57Å; F6-W14 HydrophobicContact CD2-CG 4.14Å; F6-W14 AromaticContact CD2-CH2 3.85Å; F6-W14 HydrophobicContact CD2-CH2 3.85Å; F6-W14 AromaticContact CD2-CZ2 3.83Å; F6-W14 HydrophobicContact CD2-CZ2 3.83Å; F6-W14 AromaticContact CD2-CZ3 3.73Å; F6-W14 HydrophobicContact CD2-CZ3 3.73Å; F6-W14 HydrophobicContact CE2-CD2 4.12Å; F6-W14 AromaticContact CE2-CE3 3.73Å; F6-W14 HydrophobicContact CE2-CE3 3.73Å; F6-W14 HydrophobicContact CE2-CH2 4.4Å; F6-W14 AromaticContact CE2-CZ3 3.89Å; F6-W14 HydrophobicContact CE2-CZ3 3.89Å; L7-W14 HydrophobicContact CB-CB 4.07Å; D10-W14 PolarHBondContact O-N 3.09Å; P11-W14 PolarHBondContact O-N 3.26Å; E12-W14 PolarHBondContact O-N 2.98Å; W14-A16 VanDerWaalsContact C-N 3.32Å; W14-A16 PolarHBondContact O-N 3.32Å; W14-R17 WeakPolarHBondContact O-CB 3.47Å; W14-R17 PolarHBondContact O-N 3.29Å; W14-R17 VanDerWaalsContact O-N 3.14Å; W14-L18 HydrophobicContact CD2-CD1 3.88Å; W14-L18 HydrophobicContact CD2-CG 4.43Å; W14-L18 HydrophobicContact CE3-CD1 3.9Å; W14-L18 HydrophobicContact CH2-CD1 3.33Å; W14-L18 HydrophobicContact CZ2-CD1 3.3Å; W14-L18 HydrophobicContact CZ2-CG 4.14Å; W14-L18 HydrophobicContact CZ3-CD1 3.62Å; W14-L18 PolarHBondContact O-N 2.97Å; W14-A37 HydrophobicContact CH2-CB 4.08Å; W14-A40 HydrophobicContact CZ2-CB 4.03Å; W14-M41 HydrophobicContact CH2-CE 3.37Å; W14-M41 HydrophobicContact CH2-CG 3.86Å; W14-M41 HydrophobicContact CH2-SD 4.46Å; W14-M41 HydrophobicContact CZ2-CG 4.34Å; W14-M41 HydrophobicContact CZ3-CE 3.39Å
15F94.1Very high90.7Very high1 Ų162.3 Ų62.30%0.00432%0.317CS..Hα-helixtrans-62.2-38.6175.8-78.7-66.9000112.4P11 E12 R17 L18 D19 M41 F63 K67 C70 L71P11-F15 WeakPolarHBondContact O-CD2 3.1Å; P11-F15 PolarHBondContact O-N 2.74Å; E12-F15 PolarHBondContact O-N 3.12Å; F15-R17 VanDerWaalsContact C-N 3.3Å; F15-R17 PolarHBondContact O-N 3.11Å; F15-L18 HydrophobicContact CD1-CD1 4.28Å; F15-L18 WeakPolarHBondContact O-CB 3.35Å; F15-L18 PolarHBondContact O-N 3.47Å; F15-L18 VanDerWaalsContact O-N 3.16Å; F15-D19 VanDerWaalsContact O-CG 3.29Å; F15-D19 PolarHBondContact O-N 2.82Å; F15-M41 HydrophobicContact CZ-CE 4.3Å; F15-F63 HydrophobicContact CD1-CE2 4.17Å; F15-F63 HydrophobicContact CD1-CZ 4.02Å; F15-F63 HydrophobicContact CE1-CE2 4.1Å; F15-F63 HydrophobicContact CE1-CZ 4.36Å; F15-K67 HydrophobicContact CB-CD 4.2Å; F15-K67 HydrophobicContact CB-CG 4.38Å; F15-K67 HydrophobicContact CD1-CB 4.12Å; F15-K67 HydrophobicContact CD1-CD 4.05Å; F15-K67 HydrophobicContact CD1-CG 3.83Å; F15-K67 HydrophobicContact CD2-CG 4.07Å; F15-K67 HydrophobicContact CE1-CB 3.89Å; F15-K67 HydrophobicContact CE1-CG 4.05Å; F15-K67 HydrophobicContact CE2-CG 4.3Å; F15-K67 HydrophobicContact CG-CD 4.12Å; F15-K67 HydrophobicContact CG-CG 3.85Å; F15-K67 HydrophobicContact CZ-CB 4.17Å; F15-K67 HydrophobicContact CZ-CG 4.29Å; F15-C70 HydrophobicContact CE2-CB 3.57Å; F15-C70 HydrophobicContact CZ-CB 3.62Å; F15-L71 HydrophobicContact CD2-CD2 4.18Å; F15-L71 HydrophobicContact CD2-CG 4.36Å; F15-L71 HydrophobicContact CE2-CD2 4.46Å; F15-L71 HydrophobicContact CE2-CG 4.42Å
16A92.7Very high90.8Very high46 Ų4664.6 Ų64.638%0.3832%0.32SS..Hα-helixtrans-61.9-38.4174.900000112.2E12 L13 W14 L20E12-A16 PolarHBondContact O-N 3.34Å; L13-A16 PolarHBondContact O-N 3.47Å; W14-A16 VanDerWaalsContact C-N 3.32Å; W14-A16 PolarHBondContact O-N 3.32Å; A16-L20 WeakPolarHBondContact O-CG 3.08Å; A16-L20 PolarHBondContact O-N 3.49Å
17R94.1Very high90.8Very high103 Ų10365.1 Ų65.139%0.38933%0.325SS..Hα-helixtrans-67.1-38.4173.8-71.3170.664.4-162.2-1.7111.8P4 L13 W14 F15 L20 F21P4-R17 HydrophobicContact CB-CB 4.3Å; P4-R17 HydrophobicContact CG-CB 4.33Å; L13-R17 HydrophobicContact CD1-CG 4.5Å; L13-R17 VanDerWaalsContact O-CG 3.31Å; L13-R17 WeakPolarHBondContact O-CG 3.35Å; L13-R17 PolarHBondContact O-N 2.82Å; W14-R17 WeakPolarHBondContact O-CB 3.47Å; W14-R17 PolarHBondContact O-N 3.29Å; W14-R17 VanDerWaalsContact O-N 3.14Å; F15-R17 VanDerWaalsContact C-N 3.3Å; F15-R17 PolarHBondContact O-N 3.11Å; R17-L20 PolarHBondContact O-N 3.37Å; R17-F21 WeakPolarHBondContact O-CB 3.36Å; R17-F21 PolarHBondContact O-N 2.92Å
18L94.4Very high91Very high0 Ų070.7 Ų70.70%035%0.349CS..Hα-helixtrans-63.9-46.4174.2-86.3176.9000112V3 P4 W14 F15 L20 F21 F22 A37 F63V3-L18 HydrophobicContact CG1-CD2 3.76Å; P4-L18 HydrophobicContact CG-CD2 4.28Å; W14-L18 HydrophobicContact CD2-CD1 3.88Å; W14-L18 HydrophobicContact CD2-CG 4.43Å; W14-L18 HydrophobicContact CE3-CD1 3.9Å; W14-L18 HydrophobicContact CH2-CD1 3.33Å; W14-L18 HydrophobicContact CZ2-CD1 3.3Å; W14-L18 HydrophobicContact CZ2-CG 4.14Å; W14-L18 HydrophobicContact CZ3-CD1 3.62Å; W14-L18 PolarHBondContact O-N 2.97Å; F15-L18 HydrophobicContact CD1-CD1 4.28Å; F15-L18 WeakPolarHBondContact O-CB 3.35Å; F15-L18 PolarHBondContact O-N 3.47Å; F15-L18 VanDerWaalsContact O-N 3.16Å; L18-L20 PolarHBondContact O-N 3.3Å; L18-F21 CarbonylContact O-C 3.53Å; L18-F21 WeakPolarHBondContact O-CA 3.24Å; L18-F21 WeakPolarHBondContact O-CB 3.21Å; L18-F21 PolarHBondContact O-N 3.42Å; L18-F22 HydrophobicContact CB-CD2 4.32Å; L18-F22 HydrophobicContact CB-CE2 3.88Å; L18-F22 HydrophobicContact CB-CZ 4.47Å; L18-F22 HydrophobicContact CD2-CE1 4.41Å; L18-F22 HydrophobicContact CD2-CE2 4.08Å; L18-F22 HydrophobicContact CD2-CZ 3.8Å; L18-F22 HydrophobicContact CG-CE2 4.42Å; L18-F22 WeakPolarHBondContact O-CD2 3.45Å; L18-F22 WeakPolarHBondContact O-CG 3.1Å; L18-F22 PolarHBondContact O-N 2.8Å; L18-A37 HydrophobicContact CD1-CB 4.15Å; L18-F63 HydrophobicContact CD1-CE2 4.24Å
19D93.9Very high91.6Very high44 Ų4470.3 Ų70.324%0.23534%0.342CS..Hα-helixtrans-57.6-40.3177.7-69-29.4000111.4F15 R23 K67F15-D19 VanDerWaalsContact O-CG 3.29Å; F15-D19 PolarHBondContact O-N 2.82Å; D19-R23 VanDerWaalsContact O-CB 3.31Å; D19-R23 WeakPolarHBondContact O-CB 3.45Å; D19-R23 PolarHBondContact O-N 2.82Å; D19-R23 VanDerWaalsContact O-N 3.08Å; D19-R23 PolarHBondContact O-NH1 3.26Å; D19-K67 IonicContact OD1-NZ 2.67Å; D19-K67 IonicContact OD2-NZ 3.77Å; D19-K67 PolarHBondContact OD2-NZ 3.07Å
20L94Very high92.3Very high111 Ų11166.7 Ų66.758%0.58132%0.317SS*.Hα-helixtrans-66.5-42173.6-72170.5000112.3A16 R17 L18 R23 H24A16-L20 WeakPolarHBondContact O-CG 3.08Å; A16-L20 PolarHBondContact O-N 3.49Å; R17-L20 PolarHBondContact O-N 3.37Å; L18-L20 PolarHBondContact O-N 3.3Å; L20-R23 PolarHBondContact O-N 2.95Å; L20-H24 WeakPolarHBondContact O-CB 3.18Å; L20-H24 PolarHBondContact O-N 2.97Å
21F95.2Very high92.8Very high24 Ų2469.9 Ų69.911%0.10533%0.33CS..Hα-helixtrans-60.9-48.5177.1169.3-92.1000111.6A2 V3 P4 R17 L18 H24 R25 L36A2-F21 WeakPolarHBondContact O-CE2 3.49Å; V3-F21 HydrophobicContact CG2-CE1 4.2Å; V3-F21 HydrophobicContact CG2-CZ 3.99Å; P4-F21 HydrophobicContact CG-CB 4.05Å; P4-F21 HydrophobicContact CG-CG 4.38Å; R17-F21 WeakPolarHBondContact O-CB 3.36Å; R17-F21 PolarHBondContact O-N 2.92Å; L18-F21 CarbonylContact O-C 3.53Å; L18-F21 WeakPolarHBondContact O-CA 3.24Å; L18-F21 WeakPolarHBondContact O-CB 3.21Å; L18-F21 PolarHBondContact O-N 3.42Å; F21-H24 PolarHBondContact O-N 3.44Å; F21-R25 HydrophobicContact CD2-CG 4.43Å; F21-R25 HydrophobicContact CE1-CG 4.37Å; F21-R25 HydrophobicContact CE2-CG 4.13Å; F21-R25 HydrophobicContact CZ-CG 4.09Å; F21-R25 WeakPolarHBondContact O-CB 3.31Å; F21-R25 WeakPolarHBondContact O-CG 3.33Å; F21-R25 PolarHBondContact O-N 2.95Å; F21-L36 HydrophobicContact CE1-CD1 4.48Å
22F95.4Very high93.2Very high3 Ų372.3 Ų72.31%0.01335%0.345CS..Hα-helixtrans-62.5-44.3178.5-63.3-44.7000111.6L18 H24 R25 H26 V27 M33 L36 F63L18-F22 HydrophobicContact CB-CD2 4.32Å; L18-F22 HydrophobicContact CB-CE2 3.88Å; L18-F22 HydrophobicContact CB-CZ 4.47Å; L18-F22 HydrophobicContact CD2-CE1 4.41Å; L18-F22 HydrophobicContact CD2-CE2 4.08Å; L18-F22 HydrophobicContact CD2-CZ 3.8Å; L18-F22 HydrophobicContact CG-CE2 4.42Å; L18-F22 WeakPolarHBondContact O-CD2 3.45Å; L18-F22 WeakPolarHBondContact O-CG 3.1Å; L18-F22 PolarHBondContact O-N 2.8Å; F22-H24 VanDerWaalsContact C-N 3.34Å; F22-H24 PolarHBondContact O-N 3.43Å; F22-R25 CarbonylContact O-C 3.59Å; F22-R25 PolarHBondContact O-N 3.36Å; F22-R25 VanDerWaalsContact O-N 3.07Å; F22-H26 PolarHBondContact O-N 3.49Å; F22-V27 HydrophobicContact CB-CB 4.4Å; F22-V27 HydrophobicContact CD1-CB 4.08Å; F22-V27 HydrophobicContact CD1-CG1 4.25Å; F22-V27 PolarHBondContact O-N 3.32Å; F22-M33 HydrophobicContact CB-CE 4.21Å; F22-M33 HydrophobicContact CD1-CG 3.97Å; F22-M33 HydrophobicContact CD2-CB 4.39Å; F22-M33 HydrophobicContact CD2-CE 3.26Å; F22-M33 HydrophobicContact CD2-CG 3.91Å; F22-M33 HydrophobicContact CD2-SD 4.31Å; F22-M33 HydrophobicContact CE1-CB 4.25Å; F22-M33 HydrophobicContact CE1-CG 4.04Å; F22-M33 HydrophobicContact CE2-CB 3.92Å; F22-M33 HydrophobicContact CE2-CE 3.72Å; F22-M33 HydrophobicContact CE2-CG 3.94Å; F22-M33 HydrophobicContact CG-CE 3.9Å; F22-M33 HydrophobicContact CG-CG 3.91Å; F22-M33 HydrophobicContact CG-SD 4.47Å; F22-M33 HydrophobicContact CZ-CB 3.84Å; F22-M33 HydrophobicContact CZ-CG 4.01Å; F22-L36 HydrophobicContact CD1-CD1 4.44Å; F22-L36 HydrophobicContact CE1-CB 3.99Å; F22-L36 HydrophobicContact CE1-CD1 3.79Å; F22-L36 HydrophobicContact CZ-CB 4.3Å; F22-F63 HydrophobicContact CD2-CZ 4.32Å; F22-F63 HydrophobicContact CE2-CD2 4.3Å; F22-F63 HydrophobicContact CE2-CE1 4.2Å; F22-F63 AromaticContact CE2-CE2 3.71Å; F22-F63 HydrophobicContact CE2-CE2 3.71Å; F22-F63 AromaticContact CE2-CZ 3.64Å; F22-F63 HydrophobicContact CE2-CZ 3.64Å; F22-F63 HydrophobicContact CZ-CE2 4.32Å
23R94.2Very high93.6Very high165 Ų16570.3 Ų70.362%0.62334%0.336SS*.Hα-helixtrans-58.4-44.5175.8-171.6-180-66.8101.3-1.2112.2D19 L20 R25 H26D19-R23 VanDerWaalsContact O-CB 3.31Å; D19-R23 WeakPolarHBondContact O-CB 3.45Å; D19-R23 PolarHBondContact O-N 2.82Å; D19-R23 VanDerWaalsContact O-N 3.08Å; D19-R23 PolarHBondContact O-NH1 3.26Å; L20-R23 PolarHBondContact O-N 2.95Å; R23-R25 VanDerWaalsContact C-N 3.3Å; R23-R25 PolarHBondContact O-N 2.89Å; R23-H26 PolarHBondContact O-N 3.41Å
24H93.6Very high93.9Very high121 Ų12167.6 Ų67.656%0.5632%0.32SS*.Hα-helixtrans-68.5-29.7177.2-177.7-64.8000112.5L20 F21 F22L20-H24 WeakPolarHBondContact O-CB 3.18Å; L20-H24 PolarHBondContact O-N 2.97Å; F21-H24 PolarHBondContact O-N 3.44Å; F22-H24 VanDerWaalsContact C-N 3.34Å; F22-H24 PolarHBondContact O-N 3.43Å
25R92.6Very high94Very high90 Ų9073.4 Ų73.434%0.3435%0.348SS..Hα-helixtrans-91.3-0.5179.6-67.9-65.3173.572.520.9114.1M1 F21 F22 R23 V27M1-R25 VanDerWaalsContact C-NH2 3.34Å; M1-R25 VanDerWaalsContact CA-NH2 3.26Å; M1-R25 PolarHBondContact O-NH1 3.24Å; M1-R25 VanDerWaalsContact O-NH1 3.11Å; M1-R25 PolarHBondContact O-NH2 2.94Å; F21-R25 HydrophobicContact CD2-CG 4.43Å; F21-R25 HydrophobicContact CE1-CG 4.37Å; F21-R25 HydrophobicContact CE2-CG 4.13Å; F21-R25 HydrophobicContact CZ-CG 4.09Å; F21-R25 WeakPolarHBondContact O-CB 3.31Å; F21-R25 WeakPolarHBondContact O-CG 3.33Å; F21-R25 PolarHBondContact O-N 2.95Å; F22-R25 CarbonylContact O-C 3.59Å; F22-R25 PolarHBondContact O-N 3.36Å; F22-R25 VanDerWaalsContact O-N 3.07Å; R23-R25 VanDerWaalsContact C-N 3.3Å; R23-R25 PolarHBondContact O-N 2.89Å; R25-V27 HydrophobicContact CB-CG2 3.85Å; R25-V27 PolarHBondContact O-N 3Å
26H93.2Very high94Very high153 Ų15375.6 Ų75.671%0.70836%0.359SS*.THydrogen-bonded Turntrans54.430.4-173.9-52.4-74.7000112.6F22 R23 Q28F22-H26 PolarHBondContact O-N 3.49Å; R23-H26 PolarHBondContact O-N 3.41Å; H26-Q28 PolarHBondContact O-N 3.48Å
27V92.3Very high94.1Very high34 Ų3473.4 Ų73.421%0.20634%0.341CS..  trans-84.3114.6171-176.90000106.6F22 R25 T32 M33F22-V27 HydrophobicContact CB-CB 4.4Å; F22-V27 HydrophobicContact CD1-CB 4.08Å; F22-V27 HydrophobicContact CD1-CG1 4.25Å; F22-V27 PolarHBondContact O-N 3.32Å; R25-V27 HydrophobicContact CB-CG2 3.85Å; R25-V27 PolarHBondContact O-N 3Å; V27-T32 HydrophobicContact CG1-CG2 3.8Å; V27-M33 HydrophobicContact CG1-CG 3.82Å
28Q92Very high94.1Very high169 Ų16970.1 Ų70.179%0.7933%0.331SS*.  trans-120-11.9179-61.3-174.5-10.100112.2H26 E30H26-Q28 PolarHBondContact O-N 3.48Å; Q28-E30 PolarHBondContact O-N 3.15Å
29D94.1Very high94Very high83 Ų8374.2 Ų74.244%0.44436%0.36SS..  trans-73.8117.3178.6178.566.1000109.9E31 T32 M33D29-E31 VanDerWaalsContact C-N 3.28Å; D29-E31 PolarHBondContact O-N 3.02Å; D29-T32 PolarHBondContact O-N 2.89Å; D29-T32 WeakPolarHBondContact OD2-CB 3.32Å; D29-T32 PolarHBondContact OD2-N 3.37Å; D29-T32 PolarHBondContact OD2-OG1 3.16Å; D29-M33 VanDerWaalsContact O-CG 3.25Å; D29-M33 WeakPolarHBondContact O-CG 2.81Å; D29-M33 PolarHBondContact O-N 3.17Å
30E94.6Very high94Very high48 Ų4873.1 Ų73.122%0.22436%0.357CS..Hα-helixtrans-62.7-34.2-175.7-83.2-87.215700112.3Q28 M33 F34 A61 P62 F63 T64Q28-E30 PolarHBondContact O-N 3.15Å; E30-M33 PolarHBondContact O-N 3.04Å; E30-F34 VanDerWaalsContact O-CB 3.26Å; E30-F34 WeakPolarHBondContact O-CB 2.93Å; E30-F34 PolarHBondContact O-N 3.43Å; E30-A61 HydrophobicContact CG-CB 4.19Å; E30-A61 VanDerWaalsContact OE2-C 3.25Å; E30-P62 HydrophobicContact CB-CG 4.31Å; E30-F63 WeakPolarHBondContact OE2-CA 3.49Å; E30-F63 VanDerWaalsContact OE2-CB 3.25Å; E30-F63 WeakPolarHBondContact OE2-CB 3.45Å; E30-F63 PolarHBondContact OE2-N 3.12Å; E30-T64 PolarHBondContact OE1-OG1 3.2Å; E30-T64 PolarHBondContact OE2-N 3.24Å; E30-T64 PolarHBondContact OE2-OG1 3.36Å
31E94.1Very high94Very high126 Ų12668.5 Ų68.559%0.58933%0.332SS*.Hα-helixtrans-66.5-47.6177.6-170.8170-162.900110.5D29 M33 F34 E35D29-E31 VanDerWaalsContact C-N 3.28Å; D29-E31 PolarHBondContact O-N 3.02Å; E31-M33 VanDerWaalsContact C-N 3.34Å; E31-M33 PolarHBondContact O-N 2.86Å; E31-F34 WeakPolarHBondContact O-CB 3.3Å; E31-F34 PolarHBondContact O-N 3.43Å; E31-E35 PolarHBondContact O-N 3.21Å
32T94.4Very high93.9Very high56 Ų5670.2 Ų70.234%0.34435%0.346SS..Hα-helixtrans-61.1-41.7173.4-54.90000111.8V27 D29 F34 L36V27-T32 HydrophobicContact CG1-CG2 3.8Å; D29-T32 PolarHBondContact O-N 2.89Å; D29-T32 WeakPolarHBondContact OD2-CB 3.32Å; D29-T32 PolarHBondContact OD2-N 3.37Å; D29-T32 PolarHBondContact OD2-OG1 3.16Å; T32-F34 VanDerWaalsContact C-N 3.3Å; T32-F34 PolarHBondContact O-N 3.1Å; T32-L36 HydrophobicContact CG2-CD1 3.93Å; T32-L36 HydrophobicContact CG2-CG 4.4Å; T32-L36 WeakPolarHBondContact O-CB 3.39Å; T32-L36 WeakPolarHBondContact O-CG 3.18Å; T32-L36 PolarHBondContact O-N 3.4Å
33M95.1Very high93.8Very high19 Ų1977.6 Ų77.69%0.09438%0.381CS..Hα-helixtrans-62.3-40.5176.2-70.7170.172.500111.4F22 V27 D29 E30 E31 A37 F63F22-M33 HydrophobicContact CB-CE 4.21Å; F22-M33 HydrophobicContact CD1-CG 3.97Å; F22-M33 HydrophobicContact CD2-CB 4.39Å; F22-M33 HydrophobicContact CD2-CE 3.26Å; F22-M33 HydrophobicContact CD2-CG 3.91Å; F22-M33 HydrophobicContact CD2-SD 4.31Å; F22-M33 HydrophobicContact CE1-CB 4.25Å; F22-M33 HydrophobicContact CE1-CG 4.04Å; F22-M33 HydrophobicContact CE2-CB 3.92Å; F22-M33 HydrophobicContact CE2-CE 3.72Å; F22-M33 HydrophobicContact CE2-CG 3.94Å; F22-M33 HydrophobicContact CG-CE 3.9Å; F22-M33 HydrophobicContact CG-CG 3.91Å; F22-M33 HydrophobicContact CG-SD 4.47Å; F22-M33 HydrophobicContact CZ-CB 3.84Å; F22-M33 HydrophobicContact CZ-CG 4.01Å; V27-M33 HydrophobicContact CG1-CG 3.82Å; D29-M33 VanDerWaalsContact O-CG 3.25Å; D29-M33 WeakPolarHBondContact O-CG 2.81Å; D29-M33 PolarHBondContact O-N 3.17Å; E30-M33 PolarHBondContact O-N 3.04Å; E31-M33 VanDerWaalsContact C-N 3.34Å; E31-M33 PolarHBondContact O-N 2.86Å; M33-A37 VanDerWaalsContact O-CB 3.31Å; M33-A37 WeakPolarHBondContact O-CB 3.5Å; M33-A37 PolarHBondContact O-N 2.63Å; M33-F63 HydrophobicContact CB-CB 3.76Å; M33-F63 HydrophobicContact CB-CD1 4.18Å; M33-F63 HydrophobicContact CB-CD2 4.01Å; M33-F63 HydrophobicContact CB-CG 3.7Å; M33-F63 HydrophobicContact CE-CD1 3.4Å; M33-F63 VanDerWaalsContact CE-CD1 3.4Å; M33-F63 HydrophobicContact CE-CE1 3.45Å; M33-F63 VanDerWaalsContact CE-CE1 3.45Å; M33-F63 HydrophobicContact CE-CG 4.15Å; M33-F63 HydrophobicContact CE-CZ 4.24Å; M33-F63 HydrophobicContact SD-CD1 4.44Å
34F95Very high93.6Very high23 Ų2377.6 Ų77.610%0.10139%0.388CS..Hα-helixtrans-63.6-51.4177.9174.9-106.7000111.1E30 E31 T32 L36 A37 L38 F52 A56 P62 F63 L66E30-F34 VanDerWaalsContact O-CB 3.26Å; E30-F34 WeakPolarHBondContact O-CB 2.93Å; E30-F34 PolarHBondContact O-N 3.43Å; E31-F34 WeakPolarHBondContact O-CB 3.3Å; E31-F34 PolarHBondContact O-N 3.43Å; T32-F34 VanDerWaalsContact C-N 3.3Å; T32-F34 PolarHBondContact O-N 3.1Å; F34-L36 VanDerWaalsContact C-N 3.34Å; F34-L36 PolarHBondContact O-N 2.97Å; F34-A37 WeakPolarHBondContact O-CB 3.44Å; F34-A37 PolarHBondContact O-N 3.46Å; F34-A37 VanDerWaalsContact O-N 3.15Å; F34-L38 HydrophobicContact CD1-CD1 4.07Å; F34-L38 HydrophobicContact CD2-CG 4.47Å; F34-L38 HydrophobicContact CE1-CD1 3.45Å; F34-L38 VanDerWaalsContact CE1-CD1 3.45Å; F34-L38 HydrophobicContact CE1-CG 4.24Å; F34-L38 HydrophobicContact CE2-CD1 4.09Å; F34-L38 HydrophobicContact CE2-CD2 4.14Å; F34-L38 HydrophobicContact CE2-CG 4.13Å; F34-L38 HydrophobicContact CZ-CD1 3.47Å; F34-L38 VanDerWaalsContact CZ-CD1 3.47Å; F34-L38 HydrophobicContact CZ-CD2 4.23Å; F34-L38 HydrophobicContact CZ-CG 4.03Å; F34-L38 WeakPolarHBondContact O-CG 3.44Å; F34-L38 PolarHBondContact O-N 3.21Å; F34-F52 AromaticContact CE2-CE1 3.96Å; F34-F52 HydrophobicContact CE2-CE1 3.96Å; F34-A56 HydrophobicContact CE1-CB 3.99Å; F34-A56 HydrophobicContact CE2-CB 4.14Å; F34-A56 HydrophobicContact CZ-CB 3.48Å; F34-A56 VanDerWaalsContact CZ-CB 3.48Å; F34-P62 HydrophobicContact CB-CB 4.02Å; F34-P62 HydrophobicContact CB-CG 4.12Å; F34-P62 HydrophobicContact CD1-CB 4.28Å; F34-P62 HydrophobicContact CD2-CB 4.06Å; F34-P62 HydrophobicContact CG-CB 3.87Å; F34-P62 HydrophobicContact CG-CG 4.44Å; F34-F63 HydrophobicContact CB-CB 4.11Å; F34-L66 HydrophobicContact CD2-CB 3.93Å; F34-L66 HydrophobicContact CD2-CD2 3.74Å; F34-L66 HydrophobicContact CD2-CG 4.33Å; F34-L66 HydrophobicContact CE2-CB 4.03Å; F34-L66 HydrophobicContact CE2-CD1 4.18Å; F34-L66 HydrophobicContact CE2-CD2 3.94Å; F34-L66 HydrophobicContact CE2-CG 4.26Å
35E94.2Very high93.4Very high122 Ų12272.5 Ų72.557%0.5737%0.365SS*.Hα-helixtrans-58.3-45.3177.1-71.2-171.6164.900112.2E31 A37 L38 S39E31-E35 PolarHBondContact O-N 3.21Å; E35-A37 VanDerWaalsContact C-N 3.32Å; E35-A37 PolarHBondContact O-N 3.11Å; E35-L38 PolarHBondContact O-N 3.49Å; E35-S39 WeakPolarHBondContact O-CB 3.43Å; E35-S39 PolarHBondContact O-N 3.18Å
36L95.2Very high93.4Very high48 Ų4869.7 Ų69.725%0.25136%0.357SS..Hα-helixtrans-63.1-39.4177.8-72172000111.7V3 F21 F22 T32 F34 S39 A40V3-L36 HydrophobicContact CG2-CB 4.48Å; V3-L36 HydrophobicContact CG2-CD2 3.9Å; F21-L36 HydrophobicContact CE1-CD1 4.48Å; F22-L36 HydrophobicContact CD1-CD1 4.44Å; F22-L36 HydrophobicContact CE1-CB 3.99Å; F22-L36 HydrophobicContact CE1-CD1 3.79Å; F22-L36 HydrophobicContact CZ-CB 4.3Å; T32-L36 HydrophobicContact CG2-CD1 3.93Å; T32-L36 HydrophobicContact CG2-CG 4.4Å; T32-L36 WeakPolarHBondContact O-CB 3.39Å; T32-L36 WeakPolarHBondContact O-CG 3.18Å; T32-L36 PolarHBondContact O-N 3.4Å; F34-L36 VanDerWaalsContact C-N 3.34Å; F34-L36 PolarHBondContact O-N 2.97Å; L36-S39 PolarHBondContact O-N 3.44Å; L36-S39 PolarHBondContact O-OG 3.09Å; L36-A40 PolarHBondContact O-N 3.02Å
37A94.7Very high93.4Very high0 Ų064.8 Ų64.80%035%0.347CS..Hα-helixtrans-64.1-47.417600000111.5W14 L18 M33 F34 E35 S39 A40 M41 F63 L66W14-A37 HydrophobicContact CH2-CB 4.08Å; L18-A37 HydrophobicContact CD1-CB 4.15Å; M33-A37 VanDerWaalsContact O-CB 3.31Å; M33-A37 WeakPolarHBondContact O-CB 3.5Å; M33-A37 PolarHBondContact O-N 2.63Å; F34-A37 WeakPolarHBondContact O-CB 3.44Å; F34-A37 PolarHBondContact O-N 3.46Å; F34-A37 VanDerWaalsContact O-N 3.15Å; E35-A37 VanDerWaalsContact C-N 3.32Å; E35-A37 PolarHBondContact O-N 3.11Å; A37-S39 VanDerWaalsContact C-N 3.3Å; A37-S39 PolarHBondContact O-N 3.47Å; A37-A40 PolarHBondContact O-N 3.34Å; A37-A40 VanDerWaalsContact O-N 3.15Å; A37-M41 WeakPolarHBondContact O-CG 3.36Å; A37-M41 PolarHBondContact O-N 3.41Å; A37-F63 HydrophobicContact CB-CD2 3.93Å; A37-F63 HydrophobicContact CB-CE2 3.9Å; A37-L66 HydrophobicContact CB-CD2 3.89Å
38L93.5Very high93.2Very high34 Ų3466.5 Ų66.518%0.17836%0.358CS..Hα-helixtrans-59.7-41.4176.8-67-175.1000111.8F34 E35 A40 M41 L46 I53 L66F34-L38 HydrophobicContact CD1-CD1 4.07Å; F34-L38 HydrophobicContact CD2-CG 4.47Å; F34-L38 HydrophobicContact CE1-CD1 3.45Å; F34-L38 VanDerWaalsContact CE1-CD1 3.45Å; F34-L38 HydrophobicContact CE1-CG 4.24Å; F34-L38 HydrophobicContact CE2-CD1 4.09Å; F34-L38 HydrophobicContact CE2-CD2 4.14Å; F34-L38 HydrophobicContact CE2-CG 4.13Å; F34-L38 HydrophobicContact CZ-CD1 3.47Å; F34-L38 VanDerWaalsContact CZ-CD1 3.47Å; F34-L38 HydrophobicContact CZ-CD2 4.23Å; F34-L38 HydrophobicContact CZ-CG 4.03Å; F34-L38 WeakPolarHBondContact O-CG 3.44Å; F34-L38 PolarHBondContact O-N 3.21Å; E35-L38 PolarHBondContact O-N 3.49Å; L38-A40 PolarHBondContact O-N 3.03Å; L38-A40 VanDerWaalsContact O-N 3.12Å; L38-M41 PolarHBondContact O-N 3.45Å; L38-M41 VanDerWaalsContact O-N 3.11Å; L38-L46 HydrophobicContact CD2-CD2 3.65Å; L38-I53 HydrophobicContact CD2-CD1 4.11Å; L38-I53 HydrophobicContact CD2-CG1 4.17Å; L38-L66 HydrophobicContact CD2-CD1 4.38Å; L38-L66 HydrophobicContact CD2-CD2 4.21Å
39S93.4Very high93.2Very high85 Ų8558.5 Ų58.559%0.59432%0.32SS*.Hα-helixtrans-62-21.5179.478.90000114E35 L36 A37E35-S39 WeakPolarHBondContact O-CB 3.43Å; E35-S39 PolarHBondContact O-N 3.18Å; L36-S39 PolarHBondContact O-N 3.44Å; L36-S39 PolarHBondContact O-OG 3.09Å; A37-S39 VanDerWaalsContact C-N 3.3Å; A37-S39 PolarHBondContact O-N 3.47Å
40A94.3Very high93.2Very high22 Ų2262.2 Ų62.218%0.18233%0.328CS..Hα-helixtrans-97.1-9.7-179.600000113.6V3 F6 W14 L36 A37 L38V3-A40 HydrophobicContact CB-CB 4.4Å; V3-A40 HydrophobicContact CG1-CB 3.67Å; F6-A40 WeakPolarHBondContact CB-O 3.39Å; F6-A40 PolarHBondContact N-O 2.66Å; W14-A40 HydrophobicContact CZ2-CB 4.03Å; L36-A40 PolarHBondContact O-N 3.02Å; A37-A40 PolarHBondContact O-N 3.34Å; A37-A40 VanDerWaalsContact O-N 3.15Å; L38-A40 PolarHBondContact O-N 3.03Å; L38-A40 VanDerWaalsContact O-N 3.12Å
41M93.2Very high93Very high13 Ų1364 Ų646%0.06434%0.339CS..SBendtrans-87.6141.7178.4-69.2-177.5-175.700111.5F6 W14 F15 A37 L38 T45 L46 L49 L66F6-M41 HydrophobicContact CD2-CG 3.86Å; F6-M41 HydrophobicContact CE2-CE 4.39Å; F6-M41 HydrophobicContact CE2-CG 4.3Å; F6-M41 HydrophobicContact CG-CG 4.23Å; W14-M41 HydrophobicContact CH2-CE 3.37Å; W14-M41 HydrophobicContact CH2-CG 3.86Å; W14-M41 HydrophobicContact CH2-SD 4.46Å; W14-M41 HydrophobicContact CZ2-CG 4.34Å; W14-M41 HydrophobicContact CZ3-CE 3.39Å; F15-M41 HydrophobicContact CZ-CE 4.3Å; A37-M41 WeakPolarHBondContact O-CG 3.36Å; A37-M41 PolarHBondContact O-N 3.41Å; L38-M41 PolarHBondContact O-N 3.45Å; L38-M41 VanDerWaalsContact O-N 3.11Å; M41-T45 HydrophobicContact SD-CG2 4.3Å; M41-L46 HydrophobicContact CB-CD2 3.8Å; M41-L46 HydrophobicContact CB-CG 4.12Å; M41-L46 HydrophobicContact CG-CD2 4.49Å; M41-L46 HydrophobicContact SD-CD2 3.95Å; M41-L49 HydrophobicContact CE-CD1 4.41Å; M41-L49 HydrophobicContact SD-CD1 3.92Å; M41-L66 HydrophobicContact CE-CD1 4.38Å; M41-L66 HydrophobicContact CE-CD2 3.94Å; M41-L66 HydrophobicContact CE-CG 4.31Å
42P92.9Very high93Very high61 Ų6158.6 Ų58.640%0.39631%0.314SS..  trans-73152.5172.129.8-31.8000111.4F6 E44 T45 L46F6-P42 VanDerWaalsContact CD1-CD 3.49Å; F6-P42 HydrophobicContact CD1-CG 4.07Å; P42-E44 PolarHBondContact O-N 3.42Å; P42-E44 VanDerWaalsContact O-N 3.11Å; P42-T45 WeakPolarHBondContact CG-OG1 3.43Å; P42-T45 WeakPolarHBondContact O-CB 3.37Å; P42-T45 PolarHBondContact O-N 3.2Å; P42-L46 PolarHBondContact O-N 3.27Å; P42-L46 VanDerWaalsContact O-N 3.12Å
43E92.5Very high93Very high157 Ų15758.3 Ų58.373%0.73431%0.31SS*.Hα-helixtrans-54.1-34.7-176.9-162.668-160.900113.1T45 L46 G47E43-T45 PolarHBondContact O-N 2.81Å; E43-L46 PolarHBondContact O-N 3.02Å; E43-G47 PolarHBondContact O-N 3.45Å
44E90.6Very high92.9Very high165 Ų16562.5 Ų62.577%0.77133%0.332SS*.Hα-helixtrans-60.8-43.9176.9-172.7174.4-168.200111.9P42 G47 T48P42-E44 PolarHBondContact O-N 3.42Å; P42-E44 VanDerWaalsContact O-N 3.11Å; E44-G47 PolarHBondContact O-N 2.98Å; E44-T48 PolarHBondContact O-N 3.05Å; E44-T48 PolarHBondContact O-OG1 2.75Å
45T89.9Confident92.8Very high14 Ų1464.1 Ų64.19%0.08634%0.344CS..Hα-helixtrans-69.4-38.7176.4-54.90000111.3F6 M41 P42 E43 G47 T48 L49 L74F6-T45 HydrophobicContact CE1-CG2 3.76Å; F6-T45 WeakPolarHBondContact CE1-OG1 3.42Å; F6-T45 HydrophobicContact CE2-CG2 4.42Å; F6-T45 HydrophobicContact CZ-CG2 3.69Å; M41-T45 HydrophobicContact SD-CG2 4.3Å; P42-T45 WeakPolarHBondContact CG-OG1 3.43Å; P42-T45 WeakPolarHBondContact O-CB 3.37Å; P42-T45 PolarHBondContact O-N 3.2Å; E43-T45 PolarHBondContact O-N 2.81Å; T45-G47 VanDerWaalsContact C-N 3.26Å; T45-G47 PolarHBondContact O-N 3.21Å; T45-T48 WeakPolarHBondContact O-CB 3.24Å; T45-T48 PolarHBondContact O-N 3.43Å; T45-L49 HydrophobicContact CG2-CD1 4.16Å; T45-L49 WeakPolarHBondContact O-CG 3.47Å; T45-L49 PolarHBondContact O-N 3.06Å; T45-L74 HydrophobicContact CG2-CD1 4.08Å; T45-L74 HydrophobicContact CG2-CD2 4.45Å
46L92.5Very high92.7Very high32 Ų3258.6 Ų58.617%0.16832%0.319CS..Hα-helixtrans-61.6-37.7174.2-62.7-180000111.3L38 M41 P42 E43 T48 L49 R50 I53L38-L46 HydrophobicContact CD2-CD2 3.65Å; M41-L46 HydrophobicContact CB-CD2 3.8Å; M41-L46 HydrophobicContact CB-CG 4.12Å; M41-L46 HydrophobicContact CG-CD2 4.49Å; M41-L46 HydrophobicContact SD-CD2 3.95Å; P42-L46 PolarHBondContact O-N 3.27Å; P42-L46 VanDerWaalsContact O-N 3.12Å; E43-L46 PolarHBondContact O-N 3.02Å; L46-T48 VanDerWaalsContact C-N 3.32Å; L46-T48 PolarHBondContact O-N 3.45Å; L46-L49 CarbonylContact O-C 3.4Å; L46-L49 PolarHBondContact O-N 3.41Å; L46-R50 PolarHBondContact O-N 3.49Å; L46-I53 HydrophobicContact CB-CD1 4.11Å; L46-I53 HydrophobicContact CD2-CD1 3.79Å
47G91.9Very high92.4Very high49 Ų4962.6 Ų62.651%0.50534%0.341SS..Hα-helixtrans-57.5-41.8173.400000113E43 E44 T45 L49 R50E43-G47 PolarHBondContact O-N 3.45Å; E44-G47 PolarHBondContact O-N 2.98Å; T45-G47 VanDerWaalsContact C-N 3.26Å; T45-G47 PolarHBondContact O-N 3.21Å; G47-L49 PolarHBondContact O-N 2.92Å; G47-R50 WeakPolarHBondContact O-CB 3.33Å; G47-R50 PolarHBondContact O-N 3.01Å
48T89.1Confident92.2Very high71 Ų7169.6 Ų69.644%0.43637%0.373SS..Hα-helixtrans-66.3-25175.5-46.60000113.1E44 T45 L46 R73 L74E44-T48 PolarHBondContact O-N 3.05Å; E44-T48 PolarHBondContact O-OG1 2.75Å; T45-T48 WeakPolarHBondContact O-CB 3.24Å; T45-T48 PolarHBondContact O-N 3.43Å; L46-T48 VanDerWaalsContact C-N 3.32Å; L46-T48 PolarHBondContact O-N 3.45Å; T48-R73 PolarHBondContact O-NH1 2.76Å; T48-L74 HydrophobicContact CG2-CD2 4.3Å
49L91.1Very high92.2Very high0 Ų071.9 Ų71.90%038%0.383CS..THydrogen-bonded Turntrans-103.77.1-177.7-58.4168.9000112.8M41 T45 L46 G47 D51 F52 I53 L66 V69 C70M41-L49 HydrophobicContact CE-CD1 4.41Å; M41-L49 HydrophobicContact SD-CD1 3.92Å; T45-L49 HydrophobicContact CG2-CD1 4.16Å; T45-L49 WeakPolarHBondContact O-CG 3.47Å; T45-L49 PolarHBondContact O-N 3.06Å; L46-L49 CarbonylContact O-C 3.4Å; L46-L49 PolarHBondContact O-N 3.41Å; G47-L49 PolarHBondContact O-N 2.92Å; L49-D51 PolarHBondContact O-N 3.36Å; L49-F52 WeakPolarHBondContact O-CB 3.4Å; L49-F52 PolarHBondContact O-N 3.5Å; L49-I53 HydrophobicContact CB-CD1 3.91Å; L49-I53 HydrophobicContact CB-CG1 4.22Å; L49-I53 WeakPolarHBondContact O-CG1 3.48Å; L49-I53 PolarHBondContact O-N 3.43Å; L49-L66 HydrophobicContact CD1-CD1 4.14Å; L49-V69 HydrophobicContact CD2-CG1 4.01Å; L49-C70 WeakPolarHBondContact CD1-SG 3.43Å
50R93.9Very high92Very high162 Ų16274.8 Ų74.861%0.61140%0.398SS*.Hα-helixtrans-53.3-49-167.7176.9-179.7176.7-83.9-2.9114L46 G47 F52 I53 L54L46-R50 PolarHBondContact O-N 3.49Å; G47-R50 WeakPolarHBondContact O-CB 3.33Å; G47-R50 PolarHBondContact O-N 3.01Å; R50-F52 VanDerWaalsContact C-N 3.3Å; R50-F52 PolarHBondContact O-N 3.26Å; R50-I53 PolarHBondContact O-N 3.05Å; R50-L54 HydrophobicContact CG-CD1 3.97Å; R50-L54 HydrophobicContact CG-CG 4.4Å; R50-L54 WeakPolarHBondContact O-CB 3.47Å; R50-L54 VanDerWaalsContact O-CG 3.24Å; R50-L54 WeakPolarHBondContact O-CG 3.39Å; R50-L54 PolarHBondContact O-N 2.83Å
51D92Very high92.1Very high85 Ų8575.2 Ų75.246%0.45540%0.401SS..Hα-helixtrans-62.9-3618060.1-46.9000112.5L49 T55 R73L49-D51 PolarHBondContact O-N 3.36Å; D51-T55 PolarHBondContact O-OG1 3.32Å; D51-R73 IonicContact OD1-CZ 3.77Å; D51-R73 IonicContact OD1-NH1 3.27Å; D51-R73 PolarHBondContact OD1-NH1 3.01Å; D51-R73 IonicContact OD1-NH2 2.99Å; D51-R73 PolarHBondContact OD1-NH2 2.9Å; D51-R73 IonicContact OD2-CZ 3.18Å; D51-R73 IonicContact OD2-NH1 2.7Å; D51-R73 IonicContact OD2-NH2 3.67Å; D51-R73 PolarHBondContact OD2-NH2 2.88Å
52F94Very high92.1Very high13 Ų1375.3 Ų75.36%0.05740%0.402CS..Hα-helixtrans-68.3-47.8171173.5-100000111.5F34 L49 R50 L54 T55 A56 Q59 A65 L66 V69F34-F52 AromaticContact CE2-CE1 3.96Å; F34-F52 HydrophobicContact CE2-CE1 3.96Å; L49-F52 WeakPolarHBondContact O-CB 3.4Å; L49-F52 PolarHBondContact O-N 3.5Å; R50-F52 VanDerWaalsContact C-N 3.3Å; R50-F52 PolarHBondContact O-N 3.26Å; F52-L54 PolarHBondContact O-N 3.33Å; F52-T55 CarbonylContact O-C 3.43Å; F52-T55 PolarHBondContact O-N 2.82Å; F52-T55 PolarHBondContact O-OG1 3.19Å; F52-A56 HydrophobicContact CE1-CB 4.35Å; F52-A56 HydrophobicContact CZ-CB 4.44Å; F52-A56 PolarHBondContact O-N 2.97Å; F52-Q59 HydrophobicContact CE2-CG 4.11Å; F52-Q59 HydrophobicContact CZ-CG 4.42Å; F52-A65 HydrophobicContact CE2-CB 3.83Å; F52-A65 HydrophobicContact CZ-CB 3.7Å; F52-L66 HydrophobicContact CD1-CD1 3.93Å; F52-L66 VanDerWaalsContact CE1-CA 3.48Å; F52-L66 HydrophobicContact CE1-CB 3.7Å; F52-L66 HydrophobicContact CE1-CD1 3.72Å; F52-L66 HydrophobicContact CE1-CG 4.33Å; F52-L66 HydrophobicContact CZ-CB 4.19Å; F52-V69 HydrophobicContact CB-CG1 4.07Å; F52-V69 HydrophobicContact CD2-CB 4.41Å; F52-V69 HydrophobicContact CD2-CG2 3.74Å; F52-V69 HydrophobicContact CE2-CG2 4.06Å; F52-V69 HydrophobicContact CG-CB 4.32Å; F52-V69 HydrophobicContact CG-CG1 4.2Å; F52-V69 HydrophobicContact CG-CG2 4.14Å
53I93.6Very high92.2Very high49 Ų4972.6 Ų72.625%0.25138%0.384SS..Hα-helixtrans-57.9-39-179.4-66.3165.7000111.1L38 L46 L49 R50 T55 A56L38-I53 HydrophobicContact CD2-CD1 4.11Å; L38-I53 HydrophobicContact CD2-CG1 4.17Å; L46-I53 HydrophobicContact CB-CD1 4.11Å; L46-I53 HydrophobicContact CD2-CD1 3.79Å; L49-I53 HydrophobicContact CB-CD1 3.91Å; L49-I53 HydrophobicContact CB-CG1 4.22Å; L49-I53 WeakPolarHBondContact O-CG1 3.48Å; L49-I53 PolarHBondContact O-N 3.43Å; R50-I53 PolarHBondContact O-N 3.05Å; I53-T55 PolarHBondContact O-N 3.29Å; I53-A56 WeakPolarHBondContact O-CB 3.5Å; I53-A56 PolarHBondContact O-N 3.08Å
54L93.9Very high92.4Very high108 Ų10868.8 Ų68.857%0.56537%0.372SS*.THydrogen-bonded Turntrans-70.6-12178.2-69.7174.7000114.6R50 F52R50-L54 HydrophobicContact CG-CD1 3.97Å; R50-L54 HydrophobicContact CG-CG 4.4Å; R50-L54 WeakPolarHBondContact O-CB 3.47Å; R50-L54 VanDerWaalsContact O-CG 3.24Å; R50-L54 WeakPolarHBondContact O-CG 3.39Å; R50-L54 PolarHBondContact O-N 2.83Å; F52-L54 PolarHBondContact O-N 3.33Å
55T93.2Very high92.6Very high57 Ų5761.8 Ų61.835%0.3534%0.343SS..THydrogen-bonded Turntrans-1229.7179.355.30000112.3D51 F52 I53 D57 Q58D51-T55 PolarHBondContact O-OG1 3.32Å; F52-T55 CarbonylContact O-C 3.43Å; F52-T55 PolarHBondContact O-N 2.82Å; F52-T55 PolarHBondContact O-OG1 3.19Å; I53-T55 PolarHBondContact O-N 3.29Å; T55-D57 VanDerWaalsContact C-N 3.27Å; T55-D57 PolarHBondContact O-N 2.91Å; T55-Q58 PolarHBondContact O-N 3.38Å
56A90.5Very high92.8Very high6 Ų661.1 Ų61.15%0.0534%0.339CS..G310 helixtrans-69.6-25.2-174.600000112.8F34 F52 I53 Q58 Q59F34-A56 HydrophobicContact CE1-CB 3.99Å; F34-A56 HydrophobicContact CE2-CB 4.14Å; F34-A56 HydrophobicContact CZ-CB 3.48Å; F34-A56 VanDerWaalsContact CZ-CB 3.48Å; F52-A56 HydrophobicContact CE1-CB 4.35Å; F52-A56 HydrophobicContact CZ-CB 4.44Å; F52-A56 PolarHBondContact O-N 2.97Å; I53-A56 WeakPolarHBondContact O-CB 3.5Å; I53-A56 PolarHBondContact O-N 3.08Å; A56-Q58 PolarHBondContact O-N 3.33Å; A56-Q59 WeakPolarHBondContact O-CB 3.45Å; A56-Q59 PolarHBondContact O-N 2.92Å; A56-Q59 VanDerWaalsContact O-N 3.09Å
57D89.5Confident92.9Very high132 Ų13262.3 Ų62.371%0.70634%0.342SS*.G310 helixtrans-62.1-22175.165.9-35.7000113.3T55 Q59T55-D57 VanDerWaalsContact C-N 3.27Å; T55-D57 PolarHBondContact O-N 2.91Å; D57-Q59 VanDerWaalsContact C-N 3.35Å
58Q91.3Very high92.8Very high146 Ų14662.9 Ų62.968%0.68234%0.342SS*.G310 helixtrans-86.4-6.7178.1-61.9170.521.500113T55 A56T55-Q58 PolarHBondContact O-N 3.38Å; A56-Q58 PolarHBondContact O-N 3.33Å
59Q92.3Very high92.9Very high82 Ų8261 Ų6138%0.38333%0.331SS..  trans-86.1137-178.6-58.6-59.6-39.800111.1F52 A56 D57 A61 P62 A65F52-Q59 HydrophobicContact CE2-CG 4.11Å; F52-Q59 HydrophobicContact CZ-CG 4.42Å; A56-Q59 WeakPolarHBondContact O-CB 3.45Å; A56-Q59 PolarHBondContact O-N 2.92Å; A56-Q59 VanDerWaalsContact O-N 3.09Å; D57-Q59 VanDerWaalsContact C-N 3.35Å; Q59-A61 VanDerWaalsContact C-N 3.31Å; Q59-P62 HydrophobicContact CB-CB 4.41Å; Q59-A65 HydrophobicContact CB-CB 4.33Å; Q59-A65 HydrophobicContact CG-CB 4.05Å
60T90.9Very high92.9Very high147 Ų14761 Ų6190%0.90233%0.331SS*.SBendtrans-74-23.4174.6500000113.2
61A95Very high92.6Very high30 Ų3055.4 Ų55.425%0.24831%0.312CS..SBendtrans-138.677.3177.700000109.1E30 Q59 F63 T64 A65E30-A61 HydrophobicContact CG-CB 4.19Å; E30-A61 VanDerWaalsContact OE2-C 3.25Å; Q59-A61 VanDerWaalsContact C-N 3.31Å; A61-F63 VanDerWaalsContact C-N 3.34Å; A61-F63 PolarHBondContact O-N 3.37Å; A61-T64 PolarHBondContact O-N 2.97Å; A61-A65 WeakPolarHBondContact O-CB 3.44Å; A61-A65 PolarHBondContact O-N 3.11Å
62P94.4Very high92.3Very high15 Ų1556.4 Ų56.410%0.09732%0.318CS..Hα-helixtrans-61.9-35.2-169.522.9-35.6000113.8E30 F34 Q59 L66E30-P62 HydrophobicContact CB-CG 4.31Å; F34-P62 HydrophobicContact CB-CB 4.02Å; F34-P62 HydrophobicContact CB-CG 4.12Å; F34-P62 HydrophobicContact CD1-CB 4.28Å; F34-P62 HydrophobicContact CD2-CB 4.06Å; F34-P62 HydrophobicContact CG-CB 3.87Å; F34-P62 HydrophobicContact CG-CG 4.44Å; Q59-P62 HydrophobicContact CB-CB 4.41Å; P62-L66 VanDerWaalsContact O-CB 3.26Å; P62-L66 WeakPolarHBondContact O-CB 3.5Å; P62-L66 PolarHBondContact O-N 3.46Å
63F95.1Very high91.8Very high4 Ų459.2 Ų59.22%0.01833%0.328CS..Hα-helixtrans-72.6-42.6178171.2-97.7000111.7F15 L18 F22 E30 M33 F34 A37 A61 A65 L66 K67F15-F63 HydrophobicContact CD1-CE2 4.17Å; F15-F63 HydrophobicContact CD1-CZ 4.02Å; F15-F63 HydrophobicContact CE1-CE2 4.1Å; F15-F63 HydrophobicContact CE1-CZ 4.36Å; L18-F63 HydrophobicContact CD1-CE2 4.24Å; F22-F63 HydrophobicContact CD2-CZ 4.32Å; F22-F63 HydrophobicContact CE2-CD2 4.3Å; F22-F63 HydrophobicContact CE2-CE1 4.2Å; F22-F63 AromaticContact CE2-CE2 3.71Å; F22-F63 HydrophobicContact CE2-CE2 3.71Å; F22-F63 AromaticContact CE2-CZ 3.64Å; F22-F63 HydrophobicContact CE2-CZ 3.64Å; F22-F63 HydrophobicContact CZ-CE2 4.32Å; E30-F63 WeakPolarHBondContact OE2-CA 3.49Å; E30-F63 VanDerWaalsContact OE2-CB 3.25Å; E30-F63 WeakPolarHBondContact OE2-CB 3.45Å; E30-F63 PolarHBondContact OE2-N 3.12Å; M33-F63 HydrophobicContact CB-CB 3.76Å; M33-F63 HydrophobicContact CB-CD1 4.18Å; M33-F63 HydrophobicContact CB-CD2 4.01Å; M33-F63 HydrophobicContact CB-CG 3.7Å; M33-F63 HydrophobicContact CE-CD1 3.4Å; M33-F63 VanDerWaalsContact CE-CD1 3.4Å; M33-F63 HydrophobicContact CE-CE1 3.45Å; M33-F63 VanDerWaalsContact CE-CE1 3.45Å; M33-F63 HydrophobicContact CE-CG 4.15Å; M33-F63 HydrophobicContact CE-CZ 4.24Å; M33-F63 HydrophobicContact SD-CD1 4.44Å; F34-F63 HydrophobicContact CB-CB 4.11Å; A37-F63 HydrophobicContact CB-CD2 3.93Å; A37-F63 HydrophobicContact CB-CE2 3.9Å; A61-F63 VanDerWaalsContact C-N 3.34Å; A61-F63 PolarHBondContact O-N 3.37Å; F63-A65 VanDerWaalsContact C-N 3.32Å; F63-A65 PolarHBondContact O-N 3.44Å; F63-L66 WeakPolarHBondContact O-CB 3.37Å; F63-L66 PolarHBondContact O-N 3.2Å; F63-K67 WeakPolarHBondContact O-CB 3.02Å; F63-K67 PolarHBondContact O-N 3.15Å
64T95.2Very high91.1Very high78 Ų7859.8 Ų59.848%0.47933%0.331SS..Hα-helixtrans-61.4-42.5174.8-690000111.1E30 A61 K67 A68E30-T64 PolarHBondContact OE1-OG1 3.2Å; E30-T64 PolarHBondContact OE2-N 3.24Å; E30-T64 PolarHBondContact OE2-OG1 3.36Å; A61-T64 PolarHBondContact O-N 2.97Å; T64-K67 PolarHBondContact O-N 3.08Å; T64-A68 PolarHBondContact O-N 3.38Å; T64-A68 VanDerWaalsContact O-N 3.12Å
65A95.1Very high90.2Very high18 Ų1856.1 Ų56.115%0.14931%0.312CS..Hα-helixtrans-65.1-43.1174.800000111.9F52 Q59 A61 F63 K67 A68 V69F52-A65 HydrophobicContact CE2-CB 3.83Å; F52-A65 HydrophobicContact CZ-CB 3.7Å; Q59-A65 HydrophobicContact CB-CB 4.33Å; Q59-A65 HydrophobicContact CG-CB 4.05Å; A61-A65 WeakPolarHBondContact O-CB 3.44Å; A61-A65 PolarHBondContact O-N 3.11Å; F63-A65 VanDerWaalsContact C-N 3.32Å; F63-A65 PolarHBondContact O-N 3.44Å; A65-K67 VanDerWaalsContact C-N 3.32Å; A65-K67 PolarHBondContact O-N 3.03Å; A65-A68 PolarHBondContact O-N 2.56Å; A65-V69 WeakPolarHBondContact O-CG2 3.03Å; A65-V69 PolarHBondContact O-N 3.03Å
66L94.4Very high88.8Confident0 Ų059.2 Ų59.20%033%0.326CS..Hα-helixtrans-56.4-47.7174.1177.967.8000110.8F34 A37 L38 M41 L49 F52 P62 F63 A68 V69 C70F34-L66 HydrophobicContact CD2-CB 3.93Å; F34-L66 HydrophobicContact CD2-CD2 3.74Å; F34-L66 HydrophobicContact CD2-CG 4.33Å; F34-L66 HydrophobicContact CE2-CB 4.03Å; F34-L66 HydrophobicContact CE2-CD1 4.18Å; F34-L66 HydrophobicContact CE2-CD2 3.94Å; F34-L66 HydrophobicContact CE2-CG 4.26Å; A37-L66 HydrophobicContact CB-CD2 3.89Å; L38-L66 HydrophobicContact CD2-CD1 4.38Å; L38-L66 HydrophobicContact CD2-CD2 4.21Å; M41-L66 HydrophobicContact CE-CD1 4.38Å; M41-L66 HydrophobicContact CE-CD2 3.94Å; M41-L66 HydrophobicContact CE-CG 4.31Å; L49-L66 HydrophobicContact CD1-CD1 4.14Å; F52-L66 HydrophobicContact CD1-CD1 3.93Å; F52-L66 VanDerWaalsContact CE1-CA 3.48Å; F52-L66 HydrophobicContact CE1-CB 3.7Å; F52-L66 HydrophobicContact CE1-CD1 3.72Å; F52-L66 HydrophobicContact CE1-CG 4.33Å; F52-L66 HydrophobicContact CZ-CB 4.19Å; P62-L66 VanDerWaalsContact O-CB 3.26Å; P62-L66 WeakPolarHBondContact O-CB 3.5Å; P62-L66 PolarHBondContact O-N 3.46Å; F63-L66 WeakPolarHBondContact O-CB 3.37Å; F63-L66 PolarHBondContact O-N 3.2Å; L66-A68 VanDerWaalsContact C-N 3.31Å; L66-A68 PolarHBondContact O-N 3.46Å; L66-V69 PolarHBondContact O-N 2.82Å; L66-C70 VanDerWaalsContact O-CB 3.28Å; L66-C70 WeakPolarHBondContact O-CB 3.4Å; L66-C70 PolarHBondContact O-N 3.11Å; L66-C70 PolarHBondContact O-SG 3.28Å
67K93.5Very high87.6Confident57 Ų5763.8 Ų63.825%0.24835%0.35CS..Hα-helixtrans-57.8-44.3178.7-176.1171.7179.2176.60111.3F15 D19 F63 T64 A65 L71F15-K67 HydrophobicContact CB-CD 4.2Å; F15-K67 HydrophobicContact CB-CG 4.38Å; F15-K67 HydrophobicContact CD1-CB 4.12Å; F15-K67 HydrophobicContact CD1-CD 4.05Å; F15-K67 HydrophobicContact CD1-CG 3.83Å; F15-K67 HydrophobicContact CD2-CG 4.07Å; F15-K67 HydrophobicContact CE1-CB 3.89Å; F15-K67 HydrophobicContact CE1-CG 4.05Å; F15-K67 HydrophobicContact CE2-CG 4.3Å; F15-K67 HydrophobicContact CG-CD 4.12Å; F15-K67 HydrophobicContact CG-CG 3.85Å; F15-K67 HydrophobicContact CZ-CB 4.17Å; F15-K67 HydrophobicContact CZ-CG 4.29Å; D19-K67 IonicContact OD1-NZ 2.67Å; D19-K67 IonicContact OD2-NZ 3.77Å; D19-K67 PolarHBondContact OD2-NZ 3.07Å; F63-K67 WeakPolarHBondContact O-CB 3.02Å; F63-K67 PolarHBondContact O-N 3.15Å; T64-K67 PolarHBondContact O-N 3.08Å; A65-K67 VanDerWaalsContact C-N 3.32Å; A65-K67 PolarHBondContact O-N 3.03Å; K67-L71 HydrophobicContact CG-CD1 4.05Å; K67-L71 WeakPolarHBondContact O-CB 3.44Å; K67-L71 WeakPolarHBondContact O-CG 3.41Å; K67-L71 PolarHBondContact O-N 3.39Å
68A91.6Very high86.3Confident61 Ų6159.6 Ų59.650%0.50432%0.324SS..Hα-helixtrans-62.1-49.8176.700000112T64 A65 L66 L71 D72T64-A68 PolarHBondContact O-N 3.38Å; T64-A68 VanDerWaalsContact O-N 3.12Å; A65-A68 PolarHBondContact O-N 2.56Å; L66-A68 VanDerWaalsContact C-N 3.31Å; L66-A68 PolarHBondContact O-N 3.46Å; A68-L71 PolarHBondContact O-N 3.44Å; A68-D72 WeakPolarHBondContact O-CB 3.47Å; A68-D72 PolarHBondContact O-N 3.4Å
69V91.5Very high85.1Confident32 Ų3255.2 Ų55.219%0.19431%0.312CS..Hα-helixtrans-66.7-40.3-178.3175.90000112.1L49 F52 A65 L66 D72 R73L49-V69 HydrophobicContact CD2-CG1 4.01Å; F52-V69 HydrophobicContact CB-CG1 4.07Å; F52-V69 HydrophobicContact CD2-CB 4.41Å; F52-V69 HydrophobicContact CD2-CG2 3.74Å; F52-V69 HydrophobicContact CE2-CG2 4.06Å; F52-V69 HydrophobicContact CG-CB 4.32Å; F52-V69 HydrophobicContact CG-CG1 4.2Å; F52-V69 HydrophobicContact CG-CG2 4.14Å; A65-V69 WeakPolarHBondContact O-CG2 3.03Å; A65-V69 PolarHBondContact O-N 3.03Å; L66-V69 PolarHBondContact O-N 2.82Å; V69-D72 PolarHBondContact O-N 2.9Å; V69-R73 HydrophobicContact CG1-CG 4.33Å; V69-R73 WeakPolarHBondContact O-CG 3.46Å; V69-R73 PolarHBondContact O-N 3.31Å
70C90.2Very high83.8Confident0 Ų056.3 Ų56.30%032%0.318CS..Hα-helixtrans-60.2-46.6174.7-76.10000111.4F15 L49 L66 D72 L74F15-C70 HydrophobicContact CE2-CB 3.57Å; F15-C70 HydrophobicContact CZ-CB 3.62Å; L49-C70 WeakPolarHBondContact CD1-SG 3.43Å; L66-C70 VanDerWaalsContact O-CB 3.28Å; L66-C70 WeakPolarHBondContact O-CB 3.4Å; L66-C70 PolarHBondContact O-N 3.11Å; L66-C70 PolarHBondContact O-SG 3.28Å; C70-D72 VanDerWaalsContact C-N 3.31Å; C70-D72 PolarHBondContact O-N 3.08Å; C70-L74 HydrophobicContact CB-CD1 4.2Å; C70-L74 WeakPolarHBondContact O-CB 3.45Å; C70-L74 VanDerWaalsContact O-CG 3.29Å; C70-L74 WeakPolarHBondContact O-CG 3.22Å; C70-L74 PolarHBondContact O-N 3.19Å
71L87Confident82.7Confident43 Ų4354.9 Ų54.923%0.22530%0.3CS..Hα-helixtrans-69.1-30.8-179.6-68.4176.2000112.2P11 E12 F15 K67 A68 M75P11-L71 HydrophobicContact CB-CD2 4.46Å; E12-L71 HydrophobicContact CB-CD2 4.41Å; E12-L71 HydrophobicContact CG-CD2 3.47Å; E12-L71 VanDerWaalsContact CG-CD2 3.47Å; F15-L71 HydrophobicContact CD2-CD2 4.18Å; F15-L71 HydrophobicContact CD2-CG 4.36Å; F15-L71 HydrophobicContact CE2-CD2 4.46Å; F15-L71 HydrophobicContact CE2-CG 4.42Å; K67-L71 HydrophobicContact CG-CD1 4.05Å; K67-L71 WeakPolarHBondContact O-CB 3.44Å; K67-L71 WeakPolarHBondContact O-CG 3.41Å; K67-L71 PolarHBondContact O-N 3.39Å; A68-L71 PolarHBondContact O-N 3.44Å; L71-M75 HydrophobicContact CD2-CG 4.43Å; L71-M75 HydrophobicContact CD2-SD 3.7Å; L71-M75 WeakPolarHBondContact O-CB 3.48Å; L71-M75 WeakPolarHBondContact O-CG 3.44Å; L71-M75 PolarHBondContact O-N 3.14Å
72D85.9Confident81.4Confident106 Ų10654.6 Ų54.657%0.56730%0.295SS*.Hα-helixtrans-68.1-57.9174.7-16657.5000110.6A68 V69 C70 M75 D76A68-D72 WeakPolarHBondContact O-CB 3.47Å; A68-D72 PolarHBondContact O-N 3.4Å; V69-D72 PolarHBondContact O-N 2.9Å; C70-D72 VanDerWaalsContact C-N 3.31Å; C70-D72 PolarHBondContact O-N 3.08Å; D72-M75 CarbonylContact O-C 3.55Å; D72-M75 PolarHBondContact O-N 3.02Å; D72-D76 PolarHBondContact O-N 2.96Å
73R84Confident80.2Confident73 Ų7360.2 Ų60.228%0.27531%0.314SS..Hα-helixtrans-75.3-39.1-171-64.6179.9-179-166.41.9114.8T48 D51 V69 M75T48-R73 PolarHBondContact O-NH1 2.76Å; D51-R73 IonicContact OD1-CZ 3.77Å; D51-R73 IonicContact OD1-NH1 3.27Å; D51-R73 PolarHBondContact OD1-NH1 3.01Å; D51-R73 IonicContact OD1-NH2 2.99Å; D51-R73 PolarHBondContact OD1-NH2 2.9Å; D51-R73 IonicContact OD2-CZ 3.18Å; D51-R73 IonicContact OD2-NH1 2.7Å; D51-R73 IonicContact OD2-NH2 3.67Å; D51-R73 PolarHBondContact OD2-NH2 2.88Å; V69-R73 HydrophobicContact CG1-CG 4.33Å; V69-R73 WeakPolarHBondContact O-CG 3.46Å; V69-R73 PolarHBondContact O-N 3.31Å; R73-M75 VanDerWaalsContact C-N 3.26Å
74L78.9Confident79.1Confident61 Ų6166.1 Ų66.132%0.31934%0.342SS..Hα-helixtrans-81-15-178.6-56.9173000111.3F6 P11 T45 T48 C70F6-L74 HydrophobicContact CZ-CD1 3.92Å; P11-L74 HydrophobicContact CB-CD1 4.47Å; P11-L74 HydrophobicContact CG-CB 4.39Å; T45-L74 HydrophobicContact CG2-CD1 4.08Å; T45-L74 HydrophobicContact CG2-CD2 4.45Å; T48-L74 HydrophobicContact CG2-CD2 4.3Å; C70-L74 HydrophobicContact CB-CD1 4.2Å; C70-L74 WeakPolarHBondContact O-CB 3.45Å; C70-L74 VanDerWaalsContact O-CG 3.29Å; C70-L74 WeakPolarHBondContact O-CG 3.22Å; C70-L74 PolarHBondContact O-N 3.19Å
75M74.8Confident77.8Confident31 Ų3163.5 Ų63.515%0.15333%0.327CS..THydrogen-bonded Turntrans-113.615.3177-42.1-164.884.700113P11 E12 L71 D72 R73 D77 R78P11-M75 HydrophobicContact CG-CE 4.4Å; P11-M75 HydrophobicContact CG-CG 4Å; P11-M75 HydrophobicContact CG-SD 4.29Å; E12-M75 HydrophobicContact CG-CE 4.22Å; E12-M75 HydrophobicContact CG-SD 3.83Å; L71-M75 HydrophobicContact CD2-CG 4.43Å; L71-M75 HydrophobicContact CD2-SD 3.7Å; L71-M75 WeakPolarHBondContact O-CB 3.48Å; L71-M75 WeakPolarHBondContact O-CG 3.44Å; L71-M75 PolarHBondContact O-N 3.14Å; D72-M75 CarbonylContact O-C 3.55Å; D72-M75 PolarHBondContact O-N 3.02Å; R73-M75 VanDerWaalsContact C-N 3.26Å; M75-D77 PolarHBondContact O-N 3.34Å; M75-D77 VanDerWaalsContact O-N 3.08Å; M75-R78 HydrophobicContact CB-CB 3.97Å; M75-R78 HydrophobicContact CE-CG 4.06Å; M75-R78 WeakPolarHBondContact O-CB 3.22Å; M75-R78 PolarHBondContact O-N 3.09Å; M75-R78 PolarHBondContact SD-NH1 2.86Å
76D64.6Low76.7Confident122 Ų12263.8 Ų63.865%0.65233%0.327SS*.THydrogen-bonded Turntrans-54.4-31.6179.1-99.7-35.9000112.2D72D72-D76 PolarHBondContact O-N 2.96Å
77D64.3Low75.9Confident101 Ų10168 Ų6854%0.5435%0.352SS..THydrogen-bonded Turntrans-949177.3-152.615.4000114.1M75 A79 H80 Q81M75-D77 PolarHBondContact O-N 3.34Å; M75-D77 VanDerWaalsContact O-N 3.08Å; D77-A79 VanDerWaalsContact C-N 3.31Å; D77-A79 PolarHBondContact O-N 3.08Å; D77-H80 PolarHBondContact O-N 3.48Å; D77-H80 WeakPolarHBondContact OD1-CB 3.36Å; D77-H80 IonicContact OD1-CD2 3.53Å; D77-H80 IonicContact OD1-CG 2.63Å; D77-Q81 WeakPolarHBondContact O-CB 3.42Å; D77-Q81 PolarHBondContact O-N 3.1Å
78R62.5Low75.2Confident45 Ų4570.4 Ų70.417%0.1737%0.368CS..Hα-helixtrans-61.2-39.8-171.5-166.1-167.8-169.8152.93.5112.2E12 M75 H80 Q81 I82E12-R78 IonicContact OE1-CZ 3.92Å; E12-R78 IonicContact OE1-NH1 3.32Å; E12-R78 PolarHBondContact OE1-NH1 3.42Å; E12-R78 IonicContact OE1-NH2 3.72Å; E12-R78 IonicContact OE2-CZ 3.51Å; E12-R78 IonicContact OE2-NH1 3.78Å; E12-R78 PolarHBondContact OE2-NH1 3.32Å; E12-R78 IonicContact OE2-NH2 3.39Å; E12-R78 PolarHBondContact OE2-NH2 3.48Å; M75-R78 HydrophobicContact CB-CB 3.97Å; M75-R78 HydrophobicContact CE-CG 4.06Å; M75-R78 WeakPolarHBondContact O-CB 3.22Å; M75-R78 PolarHBondContact O-N 3.09Å; M75-R78 PolarHBondContact SD-NH1 2.86Å; R78-H80 PolarHBondContact O-N 2.95Å; R78-Q81 PolarHBondContact O-N 3.16Å; R78-I82 HydrophobicContact CG-CD1 3.71Å; R78-I82 HydrophobicContact CG-CG1 4.13Å; R78-I82 VanDerWaalsContact O-CB 3.24Å; R78-I82 WeakPolarHBondContact O-CB 3.26Å; R78-I82 VanDerWaalsContact O-CD1 3.27Å; R78-I82 WeakPolarHBondContact O-CD1 3.41Å; R78-I82 WeakPolarHBondContact O-CG1 3.4Å; R78-I82 PolarHBondContact O-N 3.48Å
79A65.4Low74.7Confident53 Ų5368.7 Ų68.744%0.43835%0.349SS..Hα-helixtrans-61.9-36177.800000111.6D77 R83D77-A79 VanDerWaalsContact C-N 3.31Å; D77-A79 PolarHBondContact O-N 3.08Å; A79-R83 WeakPolarHBondContact O-CB 3.47Å; A79-R83 VanDerWaalsContact O-CG 3.26Å; A79-R83 WeakPolarHBondContact O-CG 3.49Å; A79-R83 PolarHBondContact O-N 3.11Å; A79-R83 VanDerWaalsContact O-N 3.11Å; A79-R83 PolarHBondContact O-NE 3.34Å
80H66.2Low74.3Confident106 Ų10673.3 Ų73.349%0.49137%0.369SS..Hα-helixtrans-78.3-41178.4-123.6-10.3000111.8D77 R78 I82 R83 Q84D77-H80 PolarHBondContact O-N 3.48Å; D77-H80 WeakPolarHBondContact OD1-CB 3.36Å; D77-H80 IonicContact OD1-CD2 3.53Å; D77-H80 IonicContact OD1-CG 2.63Å; R78-H80 PolarHBondContact O-N 2.95Å; H80-I82 VanDerWaalsContact C-N 3.32Å; H80-I82 PolarHBondContact O-N 3.47Å; H80-R83 VanDerWaalsContact CG-NH2 3.35Å; H80-R83 PolarHBondContact ND1-NE 2.84Å; H80-R83 PolarHBondContact ND1-NH2 3.14Å; H80-R83 PolarHBondContact O-N 2.95Å; H80-R83 VanDerWaalsContact O-N 3.16Å; H80-Q84 WeakPolarHBondContact O-CB 3.2Å; H80-Q84 PolarHBondContact O-N 3.19Å
81Q66.2Low74.1Confident116 Ų11674.3 Ų74.354%0.54237%0.374SS..Hα-helixtrans-62.5-39.1174.8-156.8175.326.300111.7D77 R78 A85D77-Q81 WeakPolarHBondContact O-CB 3.42Å; D77-Q81 PolarHBondContact O-N 3.1Å; R78-Q81 PolarHBondContact O-N 3.16Å; Q81-A85 WeakPolarHBondContact O-CB 3.49Å; Q81-A85 PolarHBondContact O-N 3.35Å
82I67.7Low73.9Confident25 Ų2575.9 Ų75.913%0.12839%0.393CS..Hα-helixtrans-61.2-52.1170.5-70.5162000109.8R78 H80 Q84 A85 I86 L106 M107 P108R78-I82 HydrophobicContact CG-CD1 3.71Å; R78-I82 HydrophobicContact CG-CG1 4.13Å; R78-I82 VanDerWaalsContact O-CB 3.24Å; R78-I82 WeakPolarHBondContact O-CB 3.26Å; R78-I82 VanDerWaalsContact O-CD1 3.27Å; R78-I82 WeakPolarHBondContact O-CD1 3.41Å; R78-I82 WeakPolarHBondContact O-CG1 3.4Å; R78-I82 PolarHBondContact O-N 3.48Å; H80-I82 VanDerWaalsContact C-N 3.32Å; H80-I82 PolarHBondContact O-N 3.47Å; I82-Q84 VanDerWaalsContact C-N 3.33Å; I82-Q84 PolarHBondContact O-N 3.14Å; I82-A85 PolarHBondContact O-N 2.72Å; I82-I86 HydrophobicContact CG2-CD1 3.46Å; I82-I86 VanDerWaalsContact CG2-CD1 3.46Å; I82-I86 HydrophobicContact CG2-CG1 4.23Å; I82-I86 WeakPolarHBondContact O-CB 3.45Å; I82-I86 WeakPolarHBondContact O-CG1 3.49Å; I82-I86 PolarHBondContact O-N 2.99Å; I82-L106 WeakPolarHBondContact CG1-O 3.5Å; I82-M107 HydrophobicContact CG2-SD 3.67Å; I82-P108 HydrophobicContact CD1-CG 4.17Å
83R70.8Confident73.6Confident133 Ų13374.1 Ų74.150%0.50240%0.4SS..Hα-helixtrans-59.2-44.5-179.5-77.6-175.4-62.6-99.72.9111.7A79 H80 T87A79-R83 WeakPolarHBondContact O-CB 3.47Å; A79-R83 VanDerWaalsContact O-CG 3.26Å; A79-R83 WeakPolarHBondContact O-CG 3.49Å; A79-R83 PolarHBondContact O-N 3.11Å; A79-R83 VanDerWaalsContact O-N 3.11Å; A79-R83 PolarHBondContact O-NE 3.34Å; H80-R83 VanDerWaalsContact CG-NH2 3.35Å; H80-R83 PolarHBondContact ND1-NE 2.84Å; H80-R83 PolarHBondContact ND1-NH2 3.14Å; H80-R83 PolarHBondContact O-N 2.95Å; H80-R83 VanDerWaalsContact O-N 3.16Å; R83-T87 WeakPolarHBondContact O-CB 3.23Å; R83-T87 PolarHBondContact O-N 3.16Å; R83-T87 PolarHBondContact O-OG1 2.88Å
84Q70.6Confident73.8Confident128 Ų12874.3 Ų74.360%0.59840%0.401SS*.Hα-helixtrans-66.9-51.8179.6-172.9171.144.200110.7H80 I82 I86 T87 D88H80-Q84 WeakPolarHBondContact O-CB 3.2Å; H80-Q84 PolarHBondContact O-N 3.19Å; I82-Q84 VanDerWaalsContact C-N 3.33Å; I82-Q84 PolarHBondContact O-N 3.14Å; Q84-I86 VanDerWaalsContact C-N 3.32Å; Q84-I86 PolarHBondContact O-N 3.39Å; Q84-T87 WeakPolarHBondContact O-CB 3.46Å; Q84-T87 PolarHBondContact O-N 3.39Å; Q84-D88 WeakPolarHBondContact CG-OD2 3.31Å; Q84-D88 PolarHBondContact O-N 3.41Å
85A68.5Low74.5Confident22 Ų2274.6 Ų74.618%0.18241%0.406CS..Hα-helixtrans-57.7-44.6177.900000111.6Q81 I82 T87 D88 E89 L106Q81-A85 WeakPolarHBondContact O-CB 3.49Å; Q81-A85 PolarHBondContact O-N 3.35Å; I82-A85 PolarHBondContact O-N 2.72Å; A85-T87 VanDerWaalsContact C-N 3.3Å; A85-T87 PolarHBondContact O-N 2.85Å; A85-D88 PolarHBondContact O-N 3.12Å; A85-E89 WeakPolarHBondContact O-CB 3.5Å; A85-E89 PolarHBondContact O-N 3.18Å; A85-L106 HydrophobicContact CB-CD1 3.85Å; A85-L106 HydrophobicContact CB-CD2 3.69Å; A85-L106 HydrophobicContact CB-CG 4.31Å
86I72.4Confident75.4Confident25 Ų2573.1 Ų73.113%0.12840%0.399CS..Hα-helixtrans-61.2-38.1175.9-76.2175.9000112.5I82 Q84 M107 L122 R126I82-I86 HydrophobicContact CG2-CD1 3.46Å; I82-I86 VanDerWaalsContact CG2-CD1 3.46Å; I82-I86 HydrophobicContact CG2-CG1 4.23Å; I82-I86 WeakPolarHBondContact O-CB 3.45Å; I82-I86 WeakPolarHBondContact O-CG1 3.49Å; I82-I86 PolarHBondContact O-N 2.99Å; Q84-I86 VanDerWaalsContact C-N 3.32Å; Q84-I86 PolarHBondContact O-N 3.39Å; I86-M107 HydrophobicContact CD1-SD 3.62Å; I86-L122 HydrophobicContact CG2-CD1 3.23Å; I86-L122 HydrophobicContact CG2-CD2 3.68Å; I86-L122 HydrophobicContact CG2-CG 4.05Å; I86-R126 PolarHBondContact O-NH2 2.82Å; I86-R126 VanDerWaalsContact O-NH2 3.13Å
87T77.6Confident76.8Confident88 Ų8868.7 Ų68.754%0.5438%0.377SS..Hα-helixtrans-67.7-45.6-179.8-58.10000110R83 Q84 A85 R126R83-T87 WeakPolarHBondContact O-CB 3.23Å; R83-T87 PolarHBondContact O-N 3.16Å; R83-T87 PolarHBondContact O-OG1 2.88Å; Q84-T87 WeakPolarHBondContact O-CB 3.46Å; Q84-T87 PolarHBondContact O-N 3.39Å; A85-T87 VanDerWaalsContact C-N 3.3Å; A85-T87 PolarHBondContact O-N 2.85Å; T87-R126 PolarHBondContact O-NH1 2.89Å; T87-R126 PolarHBondContact O-NH2 2.94Å
88D78.3Confident78.2Confident107 Ų10766.8 Ų66.857%0.57237%0.37SS*.Hα-helixtrans-84.7-15.6-173.1-59.6-25.8000113.4Q84 A85 E90Q84-D88 WeakPolarHBondContact CG-OD2 3.31Å; Q84-D88 PolarHBondContact O-N 3.41Å; A85-D88 PolarHBondContact O-N 3.12Å; D88-E90 PolarHBondContact O-N 3.35Å; D88-E90 VanDerWaalsContact O-N 3.17Å
89E81.8Confident79.6Confident25 Ų2564.7 Ų64.712%0.11736%0.361CS..  trans-76.9108.7-175.3-154.380.9-135.700111.8A85 R94 F99 R102 L106 R126A85-E89 WeakPolarHBondContact O-CB 3.5Å; A85-E89 PolarHBondContact O-N 3.18Å; E89-R94 IonicContact OE1-CZ 3.93Å; E89-R94 VanDerWaalsContact OE1-CZ 3.31Å; E89-R94 IonicContact OE1-NH1 2.92Å; E89-R94 PolarHBondContact OE1-NH1 3.2Å; E89-R94 IonicContact OE1-NH2 2.63Å; E89-R94 PolarHBondContact OE1-NH2 2.73Å; E89-F99 HydrophobicContact CB-CE2 4.31Å; E89-F99 HydrophobicContact CG-CD2 4.39Å; E89-F99 HydrophobicContact CG-CE2 3.84Å; E89-R102 HydrophobicContact CG-CG 4.1Å; E89-R102 IonicContact OE1-NE 3.47Å; E89-R102 IonicContact OE2-CZ 3.31Å; E89-R102 IonicContact OE2-NE 2.87Å; E89-R102 PolarHBondContact OE2-NE 3.36Å; E89-R102 IonicContact OE2-NH2 2.77Å; E89-L106 HydrophobicContact CB-CD1 4.44Å; E89-L106 HydrophobicContact CG-CD1 4.34Å; E89-R126 PolarHBondContact O-NH1 2.83Å
90E83.4Confident80.8Confident130 Ų13062.3 Ų62.361%0.60734%0.342SS*.  trans-100.5157.2177.3-64.4-175.2163.300112.6D88 A92 R94D88-E90 PolarHBondContact O-N 3.35Å; D88-E90 VanDerWaalsContact O-N 3.17Å; E90-A92 VanDerWaalsContact C-N 3.25Å; E90-A92 HydrophobicContact CB-CB 4.47Å; E90-A92 PolarHBondContact O-N 3.46Å; E90-R94 PolarHBondContact O-NH2 3.12Å
91L85.3Confident81.9Confident21 Ų2163.7 Ų63.711%0.1134%0.342CS..  trans-60.7-36.7174.8-171.267.9000111.5G93 R94 P96 F99 L127 P128 L154L91-G93 VanDerWaalsContact C-N 3.26Å; L91-G93 PolarHBondContact O-N 3.44Å; L91-G93 VanDerWaalsContact O-N 3.08Å; L91-R94 WeakPolarHBondContact CD1-O 3.36Å; L91-R94 WeakPolarHBondContact O-CB 3.32Å; L91-R94 WeakPolarHBondContact O-CG 3.45Å; L91-R94 PolarHBondContact O-N 2.81Å; L91-R94 PolarHBondContact O-NE 2.98Å; L91-P96 HydrophobicContact CD1-CG 4.31Å; L91-F99 HydrophobicContact CD1-CB 3.63Å; L91-F99 HydrophobicContact CD1-CD1 3.82Å; L91-F99 HydrophobicContact CD1-CG 3.75Å; L91-L127 HydrophobicContact CD1-CD2 4.29Å; L91-L127 HydrophobicContact CD2-CD2 4.12Å; L91-P128 HydrophobicContact CD2-CG 4.39Å; L91-L154 HydrophobicContact CD2-CD1 4.15Å
92A81.6Confident83Confident75 Ų7562.9 Ų62.962%0.6233%0.334SS*.THydrogen-bonded Turntrans46.739170.700000115.6E90 R94E90-A92 VanDerWaalsContact C-N 3.25Å; E90-A92 HydrophobicContact CB-CB 4.47Å; E90-A92 PolarHBondContact O-N 3.46Å; A92-R94 PolarHBondContact O-N 3.47Å; A92-R94 VanDerWaalsContact O-N 3.16Å
93G80.8Confident83.8Confident69 Ų6961.9 Ų61.971%0.71133%0.329SS*.THydrogen-bonded Turntrans70.93.6-178.200000114.9L91L91-G93 VanDerWaalsContact C-N 3.26Å; L91-G93 PolarHBondContact O-N 3.44Å; L91-G93 VanDerWaalsContact O-N 3.08Å
94R88.1Confident84.6Confident77 Ų7760.1 Ų60.129%0.29133%0.327SS..  trans-73.1146.7173.6-56.1-179.6-93.2-173.7-8.1109.3E89 E90 L91 A92E89-R94 IonicContact OE1-CZ 3.93Å; E89-R94 VanDerWaalsContact OE1-CZ 3.31Å; E89-R94 IonicContact OE1-NH1 2.92Å; E89-R94 PolarHBondContact OE1-NH1 3.2Å; E89-R94 IonicContact OE1-NH2 2.63Å; E89-R94 PolarHBondContact OE1-NH2 2.73Å; E90-R94 PolarHBondContact O-NH2 3.12Å; L91-R94 WeakPolarHBondContact CD1-O 3.36Å; L91-R94 WeakPolarHBondContact O-CB 3.32Å; L91-R94 WeakPolarHBondContact O-CG 3.45Å; L91-R94 PolarHBondContact O-N 2.81Å; L91-R94 PolarHBondContact O-NE 2.98Å; A92-R94 PolarHBondContact O-N 3.47Å; A92-R94 VanDerWaalsContact O-N 3.16Å
95P92.8Very high85.1Confident67 Ų6759.9 Ų59.944%0.43533%0.325SS..  trans-56.6131.9170.5-22.632.1000110.4S97 V98 F99 D151P95-S97 PolarHBondContact O-N 2.7Å; P95-S97 VanDerWaalsContact O-N 3.11Å; P95-V98 HydrophobicContact CB-CB 4.5Å; P95-V98 HydrophobicContact CB-CG2 4.11Å; P95-V98 HydrophobicContact CG-CG2 4.17Å; P95-V98 WeakPolarHBondContact O-CA 3.45Å; P95-V98 WeakPolarHBondContact O-CB 3.18Å; P95-V98 PolarHBondContact O-N 3.21Å; P95-F99 PolarHBondContact O-N 2.77Å; P95-D151 WeakPolarHBondContact CB-OD1 3.39Å
96P93.8Very high85.5Confident1 Ų160.2 Ų60.21%0.00632%0.324CS..Hα-helixtrans-44.2-38.7173.7-33.634.6000115.3L91 V98 F99 L100 F123 L127 A150 D151 L154L91-P96 HydrophobicContact CD1-CG 4.31Å; P96-V98 VanDerWaalsContact C-N 3.32Å; P96-V98 PolarHBondContact O-N 3.4Å; P96-F99 PolarHBondContact O-N 3.47Å; P96-L100 WeakPolarHBondContact O-CB 3.39Å; P96-L100 PolarHBondContact O-N 3.4Å; P96-F123 HydrophobicContact CB-CE2 3.87Å; P96-F123 HydrophobicContact CB-CZ 3.81Å; P96-F123 WeakPolarHBondContact O-CE2 3.42Å; P96-L127 HydrophobicContact CB-CD2 3.96Å; P96-L127 HydrophobicContact CG-CD2 3.86Å; P96-A150 HydrophobicContact CB-CB 3.55Å; P96-A150 HydrophobicContact CG-CB 3.65Å; P96-D151 WeakPolarHBondContact CA-OD1 3.34Å; P96-D151 WeakPolarHBondContact CB-OD1 3.46Å; P96-D151 WeakPolarHBondContact CD-OD1 3.31Å; P96-L154 VanDerWaalsContact CD-CD1 3.44Å; P96-L154 HydrophobicContact CG-CD1 3.35Å
97S94.2Very high85.6Confident28 Ų2860.1 Ų60.120%0.19632%0.324CS..Hα-helixtrans-65.6-33.8176.863.40000113.7P95 R101 D151P95-S97 PolarHBondContact O-N 2.7Å; P95-S97 VanDerWaalsContact O-N 3.11Å; S97-R101 PolarHBondContact O-N 2.87Å; S97-D151 WeakPolarHBondContact CB-OD2 3.3Å; S97-D151 PolarHBondContact N-OD1 3.32Å; S97-D151 PolarHBondContact OG-OD1 3.17Å; S97-D151 PolarHBondContact OG-OD2 2.9Å
98V93.4Very high85.1Confident62 Ų6258 Ų5838%0.37631%0.311SS..Hα-helixtrans-72.8-43.9175.11790000109.9P95 P96 L100 R101 R102P95-V98 HydrophobicContact CB-CB 4.5Å; P95-V98 HydrophobicContact CB-CG2 4.11Å; P95-V98 HydrophobicContact CG-CG2 4.17Å; P95-V98 WeakPolarHBondContact O-CA 3.45Å; P95-V98 WeakPolarHBondContact O-CB 3.18Å; P95-V98 PolarHBondContact O-N 3.21Å; P96-V98 VanDerWaalsContact C-N 3.32Å; P96-V98 PolarHBondContact O-N 3.4Å; V98-L100 VanDerWaalsContact C-N 3.33Å; V98-L100 PolarHBondContact O-N 3.41Å; V98-R101 WeakPolarHBondContact O-CB 3.33Å; V98-R101 PolarHBondContact O-N 3.21Å; V98-R102 PolarHBondContact O-N 3.11Å
99F92.6Very high84.2Confident0 Ų057.8 Ų57.80%032%0.324CS..Hα-helixtrans-59.9-43.2175174.3-111.8000111.9E89 L91 P95 P96 R101 R102 L103 F123 R126E89-F99 HydrophobicContact CB-CE2 4.31Å; E89-F99 HydrophobicContact CG-CD2 4.39Å; E89-F99 HydrophobicContact CG-CE2 3.84Å; L91-F99 HydrophobicContact CD1-CB 3.63Å; L91-F99 HydrophobicContact CD1-CD1 3.82Å; L91-F99 HydrophobicContact CD1-CG 3.75Å; P95-F99 PolarHBondContact O-N 2.77Å; P96-F99 PolarHBondContact O-N 3.47Å; F99-R101 VanDerWaalsContact C-N 3.33Å; F99-R101 PolarHBondContact O-N 3.48Å; F99-R102 WeakPolarHBondContact O-CA 3.44Å; F99-R102 WeakPolarHBondContact O-CB 3.12Å; F99-R102 PolarHBondContact O-N 3.39Å; F99-R102 VanDerWaalsContact O-N 3.12Å; F99-L103 HydrophobicContact CD1-CD1 4.16Å; F99-L103 HydrophobicContact CE1-CD1 3.54Å; F99-L103 HydrophobicContact CE1-CG 4.08Å; F99-L103 HydrophobicContact CE2-CD1 4.46Å; F99-L103 HydrophobicContact CE2-CD2 4.04Å; F99-L103 HydrophobicContact CE2-CG 4.15Å; F99-L103 HydrophobicContact CZ-CD1 3.71Å; F99-L103 HydrophobicContact CZ-CD2 3.86Å; F99-L103 HydrophobicContact CZ-CG 3.88Å; F99-L103 WeakPolarHBondContact O-CG 3.06Å; F99-L103 PolarHBondContact O-N 3.34Å; F99-F123 AromaticContact CD1-CD2 3.83Å; F99-F123 HydrophobicContact CD1-CD2 3.83Å; F99-F123 HydrophobicContact CD1-CE2 4.16Å; F99-F123 HydrophobicContact CE1-CD2 4.16Å; F99-R126 HydrophobicContact CE1-CB 3.77Å; F99-R126 HydrophobicContact CE1-CG 4.3Å; F99-R126 HydrophobicContact CZ-CB 3.82Å; F99-R126 HydrophobicContact CZ-CG 3.95Å
100L91.5Very high83.2Confident4 Ų458.4 Ų58.42%0.02134%0.337CS..Hα-helixtrans-58.5-45.8174.817664.1000111.6P96 V98 R102 L103 Q104 I119 F123 L143 A147P96-L100 WeakPolarHBondContact O-CB 3.39Å; P96-L100 PolarHBondContact O-N 3.4Å; V98-L100 VanDerWaalsContact C-N 3.33Å; V98-L100 PolarHBondContact O-N 3.41Å; L100-R102 PolarHBondContact O-N 3.44Å; L100-L103 WeakPolarHBondContact O-CB 3.1Å; L100-L103 PolarHBondContact O-N 2.94Å; L100-L103 VanDerWaalsContact O-N 3.16Å; L100-Q104 HydrophobicContact CD1-CG 4.44Å; L100-Q104 WeakPolarHBondContact O-CG 3.46Å; L100-Q104 PolarHBondContact O-N 3.16Å; L100-I119 HydrophobicContact CD1-CG2 3.7Å; L100-F123 HydrophobicContact CB-CD2 3.94Å; L100-F123 HydrophobicContact CB-CE2 3.95Å; L100-F123 HydrophobicContact CD1-CB 4.33Å; L100-F123 HydrophobicContact CD1-CD2 4.13Å; L100-F123 HydrophobicContact CD1-CG 4.21Å; L100-L143 HydrophobicContact CD1-CD1 4.39Å; L100-L143 HydrophobicContact CD1-CD2 3.44Å; L100-L143 VanDerWaalsContact CD1-CD2 3.44Å; L100-L143 HydrophobicContact CD1-CG 3.59Å; L100-L143 HydrophobicContact CD2-CB 4.42Å; L100-L143 HydrophobicContact CD2-CD2 4.47Å; L100-L143 HydrophobicContact CD2-CG 3.81Å; L100-L143 WeakPolarHBondContact CD2-O 3.23Å; L100-L143 HydrophobicContact CG-CG 4.36Å; L100-A147 HydrophobicContact CB-CB 4.15Å; L100-A147 HydrophobicContact CD2-CB 3.69Å
101R89.6Confident81.6Confident135 Ų13558.4 Ų58.451%0.50935%0.348SS..Hα-helixtrans-60.7-38.4177.7-167.6-178.5-58.2125.36.7111.2S97 V98 F99 Q104 Q105S97-R101 PolarHBondContact O-N 2.87Å; V98-R101 WeakPolarHBondContact O-CB 3.33Å; V98-R101 PolarHBondContact O-N 3.21Å; F99-R101 VanDerWaalsContact C-N 3.33Å; F99-R101 PolarHBondContact O-N 3.48Å; R101-Q104 PolarHBondContact O-N 2.93Å; R101-Q105 VanDerWaalsContact O-CG 3.26Å; R101-Q105 WeakPolarHBondContact O-CG 3.34Å; R101-Q105 PolarHBondContact O-N 2.96Å
102R87.5Confident80.1Confident99 Ų9962.7 Ų62.737%0.37437%0.371SS..Hα-helixtrans-62.2-46.8174.3178.457.4175-179.91.2111.4E89 V98 F99 L100 Q104 Q105 L106E89-R102 HydrophobicContact CG-CG 4.1Å; E89-R102 IonicContact OE1-NE 3.47Å; E89-R102 IonicContact OE2-CZ 3.31Å; E89-R102 IonicContact OE2-NE 2.87Å; E89-R102 PolarHBondContact OE2-NE 3.36Å; E89-R102 IonicContact OE2-NH2 2.77Å; V98-R102 PolarHBondContact O-N 3.11Å; F99-R102 WeakPolarHBondContact O-CA 3.44Å; F99-R102 WeakPolarHBondContact O-CB 3.12Å; F99-R102 PolarHBondContact O-N 3.39Å; F99-R102 VanDerWaalsContact O-N 3.12Å; L100-R102 PolarHBondContact O-N 3.44Å; R102-Q104 VanDerWaalsContact C-N 3.29Å; R102-Q104 PolarHBondContact O-N 3.06Å; R102-Q105 WeakPolarHBondContact O-CB 3.41Å; R102-Q105 PolarHBondContact O-N 2.8Å; R102-Q105 VanDerWaalsContact O-N 3.11Å; R102-L106 WeakPolarHBondContact O-CG 3.26Å; R102-L106 PolarHBondContact O-N 2.81Å
103L85.9Confident78.7Confident3 Ų367.6 Ų67.62%0.01638%0.382CS..Hα-helixtrans-59-40.8175.6-66.7-178.4000112.3F99 L100 Q105 L106 M107 I119 L122 F123F99-L103 HydrophobicContact CD1-CD1 4.16Å; F99-L103 HydrophobicContact CE1-CD1 3.54Å; F99-L103 HydrophobicContact CE1-CG 4.08Å; F99-L103 HydrophobicContact CE2-CD1 4.46Å; F99-L103 HydrophobicContact CE2-CD2 4.04Å; F99-L103 HydrophobicContact CE2-CG 4.15Å; F99-L103 HydrophobicContact CZ-CD1 3.71Å; F99-L103 HydrophobicContact CZ-CD2 3.86Å; F99-L103 HydrophobicContact CZ-CG 3.88Å; F99-L103 WeakPolarHBondContact O-CG 3.06Å; F99-L103 PolarHBondContact O-N 3.34Å; L100-L103 WeakPolarHBondContact O-CB 3.1Å; L100-L103 PolarHBondContact O-N 2.94Å; L100-L103 VanDerWaalsContact O-N 3.16Å; L103-Q105 VanDerWaalsContact C-N 3.31Å; L103-Q105 PolarHBondContact O-N 3.11Å; L103-L106 PolarHBondContact O-N 3.36Å; L103-M107 WeakPolarHBondContact O-CG 3.49Å; L103-M107 PolarHBondContact O-N 3.12Å; L103-I119 HydrophobicContact CB-CG2 4.04Å; L103-I119 HydrophobicContact CD1-CG2 4.45Å; L103-L122 HydrophobicContact CD1-CD2 3.86Å; L103-L122 HydrophobicContact CD2-CD2 3.42Å; L103-L122 VanDerWaalsContact CD2-CD2 3.42Å; L103-L122 HydrophobicContact CG-CD2 4.26Å; L103-F123 HydrophobicContact CD1-CB 4.04Å
104Q86.5Confident77.7Confident96 Ų9666.2 Ų66.245%0.44937%0.367SS..Hα-helixtrans-65.3-33.5176.6-71.2175.9-36.800112.7L100 R101 R102 I119L100-Q104 HydrophobicContact CD1-CG 4.44Å; L100-Q104 WeakPolarHBondContact O-CG 3.46Å; L100-Q104 PolarHBondContact O-N 3.16Å; R101-Q104 PolarHBondContact O-N 2.93Å; R102-Q104 VanDerWaalsContact C-N 3.29Å; R102-Q104 PolarHBondContact O-N 3.06Å; Q104-I119 HydrophobicContact CG-CD1 4.25Å; Q104-I119 HydrophobicContact CG-CG2 4.34Å
105Q80.6Confident77.2Confident123 Ų12364.3 Ų64.358%0.57536%0.363SS*.Hα-helixtrans-72.9-32.2176.4-73.2168.6-19.800112.9R101 R102 L103 M107R101-Q105 VanDerWaalsContact O-CG 3.26Å; R101-Q105 WeakPolarHBondContact O-CG 3.34Å; R101-Q105 PolarHBondContact O-N 2.96Å; R102-Q105 WeakPolarHBondContact O-CB 3.41Å; R102-Q105 PolarHBondContact O-N 2.8Å; R102-Q105 VanDerWaalsContact O-N 3.11Å; L103-Q105 VanDerWaalsContact C-N 3.31Å; L103-Q105 PolarHBondContact O-N 3.11Å; Q105-M107 VanDerWaalsContact C-N 3.28Å
106L77.8Confident76.7Confident29 Ų2965.8 Ų65.815%0.15236%0.364CS..Hα-helixtrans-70.1-30.7176.6-67.2173.8000111.3I82 A85 E89 R102 L103I82-L106 WeakPolarHBondContact CG1-O 3.5Å; A85-L106 HydrophobicContact CB-CD1 3.85Å; A85-L106 HydrophobicContact CB-CD2 3.69Å; A85-L106 HydrophobicContact CB-CG 4.31Å; E89-L106 HydrophobicContact CB-CD1 4.44Å; E89-L106 HydrophobicContact CG-CD1 4.34Å; R102-L106 WeakPolarHBondContact O-CG 3.26Å; R102-L106 PolarHBondContact O-N 2.81Å; L103-L106 PolarHBondContact O-N 3.36Å
107M75Confident76.3Confident24 Ų2468.6 Ų68.612%0.11838%0.384CS..SBendtrans-84.6141.5-178.9-67.6-68.7-88.200111.5I82 I86 L103 Q105 A109 N115 V118 I119I82-M107 HydrophobicContact CG2-SD 3.67Å; I86-M107 HydrophobicContact CD1-SD 3.62Å; L103-M107 WeakPolarHBondContact O-CG 3.49Å; L103-M107 PolarHBondContact O-N 3.12Å; Q105-M107 VanDerWaalsContact C-N 3.28Å; M107-A109 PolarHBondContact O-N 3Å; M107-N115 HydrophobicContact CE-CB 4.28Å; M107-V118 HydrophobicContact CE-CB 4.47Å; M107-V118 HydrophobicContact CE-CG1 4.12Å; M107-I119 HydrophobicContact CB-CD1 4.01Å; M107-I119 HydrophobicContact CB-CG1 4.48Å; M107-I119 HydrophobicContact CG-CD1 3.88Å; M107-I119 HydrophobicContact CG-CG1 3.79Å
108P67.1Low75.8Confident44 Ų4470.3 Ų70.329%0.28639%0.393SS..  trans-62.9135.4178.922.2-28.4000110.6I82 G110 N115I82-P108 HydrophobicContact CD1-CG 4.17Å; P108-G110 VanDerWaalsContact C-N 3.26Å; P108-G110 PolarHBondContact O-N 3.3Å; P108-N115 PolarHBondContact O-ND2 3.18Å
109A59.6Low75.5Confident102 Ų10268.1 Ų68.184%0.84338%0.379SS*.  trans-71.782.4175.200000109.5M107M107-A109 PolarHBondContact O-N 3Å
110G59.3Low75.4Confident38 Ų3870.8 Ų70.839%0.39239%0.389SS..  trans-124.7154.1175.400000111.6P108 N112P108-G110 VanDerWaalsContact C-N 3.26Å; P108-G110 PolarHBondContact O-N 3.3Å; G110-N112 PolarHBondContact O-N 3.46Å
111P50.5Low75.2Confident129 Ų12977.3 Ų77.384%0.83842%0.419SS*.SBendtrans-70.111.1-179.830.8-35.6000113.8Q113P111-Q113 PolarHBondContact O-N 3.2Å
112N53Low75.1Confident111 Ų11172.4 Ų72.459%0.59440%0.403SS*.  trans-75.6104-177.7-71.6-13.7000109.1G110 G114 N115G110-N112 PolarHBondContact O-N 3.46Å; N112-G114 PolarHBondContact O-N 3.33Å; N112-N115 WeakPolarHBondContact O-CB 3.5Å; N112-N115 PolarHBondContact O-N 3.44Å
113Q53.8Low75.3Confident179 Ų17967.7 Ų67.784%0.83639%0.385SS*.THydrogen-bonded Turntrans-48.1-24.9170.2-66.1178.28.900112.6P111 N115 E116P111-Q113 PolarHBondContact O-N 3.2Å; Q113-N115 VanDerWaalsContact C-N 3.26Å; Q113-N115 PolarHBondContact O-N 3.46Å; Q113-E116 PolarHBondContact O-N 2.83Å
114G60.1Low75.6Confident39 Ų3969.2 Ų69.240%0.40239%0.393SS..Hα-helixtrans-60.8-26.9173.200000114.7N112 E116 S117 V118N112-G114 PolarHBondContact O-N 3.33Å; G114-E116 VanDerWaalsContact C-N 3.33Å; G114-E116 PolarHBondContact O-N 2.76Å; G114-S117 PolarHBondContact O-OG 3.24Å; G114-S117 VanDerWaalsContact O-OG 3.08Å; G114-V118 VanDerWaalsContact O-CG2 3.27Å; G114-V118 WeakPolarHBondContact O-CG2 3.21Å; G114-V118 PolarHBondContact O-N 2.93Å
115N75.9Confident75.8Confident37 Ų3768.1 Ų68.120%0.19840%0.396CS..Hα-helixtrans-69.4-34.6177.7-69.3-0.1000111.1M107 P108 N112 Q113 V118 I119M107-N115 HydrophobicContact CE-CB 4.28Å; P108-N115 PolarHBondContact O-ND2 3.18Å; N112-N115 WeakPolarHBondContact O-CB 3.5Å; N112-N115 PolarHBondContact O-N 3.44Å; Q113-N115 VanDerWaalsContact C-N 3.26Å; Q113-N115 PolarHBondContact O-N 3.46Å; N115-V118 PolarHBondContact O-N 2.84Å; N115-I119 HydrophobicContact CB-CD1 4.49Å; N115-I119 WeakPolarHBondContact O-CB 3.49Å; N115-I119 WeakPolarHBondContact O-CD1 3.23Å; N115-I119 WeakPolarHBondContact O-CG1 3.21Å; N115-I119 PolarHBondContact O-N 3.34Å
116E83Confident76.2Confident98 Ų9865.8 Ų65.846%0.45838%0.382SS..Hα-helixtrans-69.9-40.3-177.9-165-169.9144.700112Q113 G114 I119 R120Q113-E116 PolarHBondContact O-N 2.83Å; G114-E116 VanDerWaalsContact C-N 3.33Å; G114-E116 PolarHBondContact O-N 2.76Å; E116-I119 PolarHBondContact O-N 3.19Å; E116-R120 WeakPolarHBondContact O-CB 3.34Å; E116-R120 PolarHBondContact O-N 2.86Å; E116-R120 IonicContact OE1-CZ 3.8Å; E116-R120 IonicContact OE1-NH1 2.65Å; E116-R120 PolarHBondContact OE1-NH1 3.13Å; E116-R120 IonicContact OE1-NH2 2.72Å; E116-R120 PolarHBondContact OE1-NH2 2.98Å
117S84.2Confident76.9Confident61 Ų6164.6 Ų64.643%0.42738%0.376SS..Hα-helixtrans-65.4-41177.164.10000111.6G114 R120 Q121G114-S117 PolarHBondContact O-OG 3.24Å; G114-S117 VanDerWaalsContact O-OG 3.08Å; S117-R120 PolarHBondContact O-N 2.88Å; S117-Q121 WeakPolarHBondContact O-CG 3.17Å; S117-Q121 PolarHBondContact O-N 3.39Å
118V84Confident77.6Confident63 Ų6365.5 Ų65.538%0.38238%0.383SS..Hα-helixtrans-63.9-49.4175.6174.70000110.7M107 G114 N115 R120 Q121 L122M107-V118 HydrophobicContact CE-CB 4.47Å; M107-V118 HydrophobicContact CE-CG1 4.12Å; G114-V118 VanDerWaalsContact O-CG2 3.27Å; G114-V118 WeakPolarHBondContact O-CG2 3.21Å; G114-V118 PolarHBondContact O-N 2.93Å; N115-V118 PolarHBondContact O-N 2.84Å; V118-R120 VanDerWaalsContact C-N 3.3Å; V118-R120 PolarHBondContact O-N 3.45Å; V118-Q121 PolarHBondContact O-N 3.3Å; V118-L122 WeakPolarHBondContact O-CB 3.36Å; V118-L122 PolarHBondContact O-N 2.73Å
119I87.4Confident78.7Confident16 Ų1669 Ų698%0.08240%0.395CS..Hα-helixtrans-61.4-40.4177.3-65.5160.3000110.4L100 L103 Q104 M107 N115 E116 L122 F123 L143L100-I119 HydrophobicContact CD1-CG2 3.7Å; L103-I119 HydrophobicContact CB-CG2 4.04Å; L103-I119 HydrophobicContact CD1-CG2 4.45Å; Q104-I119 HydrophobicContact CG-CD1 4.25Å; Q104-I119 HydrophobicContact CG-CG2 4.34Å; M107-I119 HydrophobicContact CB-CD1 4.01Å; M107-I119 HydrophobicContact CB-CG1 4.48Å; M107-I119 HydrophobicContact CG-CD1 3.88Å; M107-I119 HydrophobicContact CG-CG1 3.79Å; N115-I119 HydrophobicContact CB-CD1 4.49Å; N115-I119 WeakPolarHBondContact O-CB 3.49Å; N115-I119 WeakPolarHBondContact O-CD1 3.23Å; N115-I119 WeakPolarHBondContact O-CG1 3.21Å; N115-I119 PolarHBondContact O-N 3.34Å; E116-I119 PolarHBondContact O-N 3.19Å; I119-L122 PolarHBondContact O-N 2.87Å; I119-F123 WeakPolarHBondContact O-CB 3.44Å; I119-F123 PolarHBondContact O-N 3.25Å; I119-L143 HydrophobicContact CB-CD2 4.35Å; I119-L143 HydrophobicContact CG2-CD2 3.8Å
120R90.4Very high80.1Confident56 Ų5669.8 Ų69.821%0.21138%0.382CS..Hα-helixtrans-60.7-51.1177.3176.4179.8-89.6105.9-5.8111.2E116 S117 V118 L122 F123 L124 K141 L143E116-R120 WeakPolarHBondContact O-CB 3.34Å; E116-R120 PolarHBondContact O-N 2.86Å; E116-R120 IonicContact OE1-CZ 3.8Å; E116-R120 IonicContact OE1-NH1 2.65Å; E116-R120 PolarHBondContact OE1-NH1 3.13Å; E116-R120 IonicContact OE1-NH2 2.72Å; E116-R120 PolarHBondContact OE1-NH2 2.98Å; S117-R120 PolarHBondContact O-N 2.88Å; V118-R120 VanDerWaalsContact C-N 3.3Å; V118-R120 PolarHBondContact O-N 3.45Å; R120-L122 VanDerWaalsContact C-N 3.34Å; R120-L122 PolarHBondContact O-N 2.89Å; R120-F123 PolarHBondContact O-N 2.95Å; R120-L124 HydrophobicContact CG-CD1 4.08Å; R120-L124 WeakPolarHBondContact O-CG 3.44Å; R120-L124 PolarHBondContact O-N 2.96Å; R120-K141 PolarHBondContact NH2-O 2.83Å; R120-L143 HydrophobicContact CB-CD1 4.08Å; R120-L143 HydrophobicContact CB-CD2 4Å; R120-L143 HydrophobicContact CG-CD1 4.04Å
121Q88.1Confident81.8Confident141 Ų14168.3 Ų68.366%0.65937%0.365SS*.Hα-helixtrans-61.4-44.5178.7-76.5-179.4-22.300111.5S117 V118 L124 S125S117-Q121 WeakPolarHBondContact O-CG 3.17Å; S117-Q121 PolarHBondContact O-N 3.39Å; V118-Q121 PolarHBondContact O-N 3.3Å; Q121-L124 PolarHBondContact O-N 3.47Å; Q121-S125 WeakPolarHBondContact O-CB 3.37Å; Q121-S125 PolarHBondContact O-N 3.47Å; Q121-S125 PolarHBondContact O-OG 2.99Å
122L87.7Confident83.8Confident32 Ų3265.1 Ų65.117%0.16834%0.339CS..Hα-helixtrans-63.5-46.6179.1-155.1103000111.1I86 L103 V118 I119 R120 L124 S125 R126I86-L122 HydrophobicContact CG2-CD1 3.23Å; I86-L122 HydrophobicContact CG2-CD2 3.68Å; I86-L122 HydrophobicContact CG2-CG 4.05Å; L103-L122 HydrophobicContact CD1-CD2 3.86Å; L103-L122 HydrophobicContact CD2-CD2 3.42Å; L103-L122 VanDerWaalsContact CD2-CD2 3.42Å; L103-L122 HydrophobicContact CG-CD2 4.26Å; V118-L122 WeakPolarHBondContact O-CB 3.36Å; V118-L122 PolarHBondContact O-N 2.73Å; I119-L122 PolarHBondContact O-N 2.87Å; R120-L122 VanDerWaalsContact C-N 3.34Å; R120-L122 PolarHBondContact O-N 2.89Å; L122-L124 PolarHBondContact O-N 3.01Å; L122-S125 PolarHBondContact O-N 3.11Å; L122-S125 PolarHBondContact O-OG 3Å; L122-R126 WeakPolarHBondContact O-CG 3.42Å; L122-R126 PolarHBondContact O-N 3.14Å
123F91.8Very high85.6Confident0 Ų063 Ų630%033%0.33CS..Hα-helixtrans-54.5-53.9176.5173.9-104.8000111.2P96 F99 L100 L103 I119 R120 S125 R126 L127 L143 A147 A150P96-F123 HydrophobicContact CB-CE2 3.87Å; P96-F123 HydrophobicContact CB-CZ 3.81Å; P96-F123 WeakPolarHBondContact O-CE2 3.42Å; F99-F123 AromaticContact CD1-CD2 3.83Å; F99-F123 HydrophobicContact CD1-CD2 3.83Å; F99-F123 HydrophobicContact CD1-CE2 4.16Å; F99-F123 HydrophobicContact CE1-CD2 4.16Å; L100-F123 HydrophobicContact CB-CD2 3.94Å; L100-F123 HydrophobicContact CB-CE2 3.95Å; L100-F123 HydrophobicContact CD1-CB 4.33Å; L100-F123 HydrophobicContact CD1-CD2 4.13Å; L100-F123 HydrophobicContact CD1-CG 4.21Å; L103-F123 HydrophobicContact CD1-CB 4.04Å; I119-F123 WeakPolarHBondContact O-CB 3.44Å; I119-F123 PolarHBondContact O-N 3.25Å; R120-F123 PolarHBondContact O-N 2.95Å; F123-S125 PolarHBondContact O-N 2.96Å; F123-R126 PolarHBondContact O-N 3.47Å; F123-L127 HydrophobicContact CD1-CD1 4.37Å; F123-L127 HydrophobicContact CE1-CD1 3.77Å; F123-L127 HydrophobicContact CE1-CG 4.49Å; F123-L127 HydrophobicContact CE2-CD2 4.13Å; F123-L127 HydrophobicContact CZ-CD1 3.89Å; F123-L127 HydrophobicContact CZ-CD2 4.09Å; F123-L127 HydrophobicContact CZ-CG 4.35Å; F123-L127 WeakPolarHBondContact O-CG 3.34Å; F123-L127 PolarHBondContact O-N 3.34Å; F123-L143 HydrophobicContact CB-CD1 4.4Å; F123-L143 HydrophobicContact CD1-CD1 3.62Å; F123-L143 HydrophobicContact CE1-CD1 4.24Å; F123-L143 HydrophobicContact CG-CD1 4.2Å; F123-A147 HydrophobicContact CE1-CB 4.26Å; F123-A147 HydrophobicContact CE2-CB 4.1Å; F123-A147 HydrophobicContact CZ-CB 3.6Å; F123-A150 HydrophobicContact CZ-CB 4.39Å
124L91.9Very high87.5Confident36 Ų3656.6 Ų56.619%0.18831%0.308CS..Hα-helixtrans-62.5-43.2-179.1-68174.4000112R120 Q121 L122 R126 L127 Q132R120-L124 HydrophobicContact CG-CD1 4.08Å; R120-L124 WeakPolarHBondContact O-CG 3.44Å; R120-L124 PolarHBondContact O-N 2.96Å; Q121-L124 PolarHBondContact O-N 3.47Å; L122-L124 PolarHBondContact O-N 3.01Å; L124-R126 PolarHBondContact O-N 3.4Å; L124-L127 HydrophobicContact CD2-CD1 4.37Å; L124-L127 PolarHBondContact O-N 3.38Å; L124-Q132 VanDerWaalsContact O-CG 3.3Å; L124-Q132 WeakPolarHBondContact O-CG 3.46Å; L124-Q132 PolarHBondContact O-NE2 2.9Å; L124-Q132 VanDerWaalsContact O-NE2 3.12Å
125S89.4Confident89.1Confident72 Ų7254.9 Ų54.950%0.50329%0.29SS..Hα-helixtrans-62.8-25.8-178.969.60000113.9Q121 L122 F123Q121-S125 WeakPolarHBondContact O-CB 3.37Å; Q121-S125 PolarHBondContact O-N 3.47Å; Q121-S125 PolarHBondContact O-OG 2.99Å; L122-S125 PolarHBondContact O-N 3.11Å; L122-S125 PolarHBondContact O-OG 3Å; F123-S125 PolarHBondContact O-N 2.96Å
126R90.2Very high89.8Confident74 Ų7458.3 Ų58.328%0.27931%0.307SS..Hα-helixtrans-91.2-8.9-178.6-62.6-72.9178132.9-9113.5I86 T87 E89 F99 L122 F123 L124I86-R126 PolarHBondContact O-NH2 2.82Å; I86-R126 VanDerWaalsContact O-NH2 3.13Å; T87-R126 PolarHBondContact O-NH1 2.89Å; T87-R126 PolarHBondContact O-NH2 2.94Å; E89-R126 PolarHBondContact O-NH1 2.83Å; F99-R126 HydrophobicContact CE1-CB 3.77Å; F99-R126 HydrophobicContact CE1-CG 4.3Å; F99-R126 HydrophobicContact CZ-CB 3.82Å; F99-R126 HydrophobicContact CZ-CG 3.95Å; L122-R126 WeakPolarHBondContact O-CG 3.42Å; L122-R126 PolarHBondContact O-N 3.14Å; F123-R126 PolarHBondContact O-N 3.47Å; L124-R126 PolarHBondContact O-N 3.4Å
127L91.6Very high90.2Very high5 Ų558.7 Ų58.73%0.02632%0.318CS..SBendtrans-75.9152.7175.6-64.2179.6000111.3L91 P96 F123 L124 V131 Q132 L135 A150L91-L127 HydrophobicContact CD1-CD2 4.29Å; L91-L127 HydrophobicContact CD2-CD2 4.12Å; P96-L127 HydrophobicContact CB-CD2 3.96Å; P96-L127 HydrophobicContact CG-CD2 3.86Å; F123-L127 HydrophobicContact CD1-CD1 4.37Å; F123-L127 HydrophobicContact CE1-CD1 3.77Å; F123-L127 HydrophobicContact CE1-CG 4.49Å; F123-L127 HydrophobicContact CE2-CD2 4.13Å; F123-L127 HydrophobicContact CZ-CD1 3.89Å; F123-L127 HydrophobicContact CZ-CD2 4.09Å; F123-L127 HydrophobicContact CZ-CG 4.35Å; F123-L127 WeakPolarHBondContact O-CG 3.34Å; F123-L127 PolarHBondContact O-N 3.34Å; L124-L127 HydrophobicContact CD2-CD1 4.37Å; L124-L127 PolarHBondContact O-N 3.38Å; L127-V131 HydrophobicContact CB-CB 4.48Å; L127-V131 HydrophobicContact CD1-CG1 4.1Å; L127-Q132 HydrophobicContact CB-CG 3.9Å; L127-Q132 PolarHBondContact O-NE2 3.18Å; L127-L135 HydrophobicContact CD1-CD1 3.69Å; L127-A150 HydrophobicContact CD1-CB 4.21Å
128P90.8Very high90.5Very high43 Ų4359.8 Ų59.828%0.27932%0.315SS..  trans-59.4142.7170.6-25.236.2000111.6L91 Q130 V131 Q132 L154L91-P128 HydrophobicContact CD2-CG 4.39Å; P128-Q130 PolarHBondContact O-N 3.39Å; P128-Q130 VanDerWaalsContact O-N 3.09Å; P128-V131 HydrophobicContact CB-CG2 4.36Å; P128-V131 WeakPolarHBondContact O-CA 3.14Å; P128-V131 WeakPolarHBondContact O-CB 3.4Å; P128-V131 PolarHBondContact O-N 3.4Å; P128-Q132 PolarHBondContact O-N 2.91Å; P128-Q132 VanDerWaalsContact O-N 3.08Å; P128-L154 HydrophobicContact CG-CD2 4.21Å
129H90Very high90.6Very high116 Ų11661.2 Ų61.254%0.53732%0.318SS..Hα-helixtrans-51.1-40.8-174.4-178.759.8000113.7V131 Q132 T133H129-V131 VanDerWaalsContact C-N 3.29Å; H129-V131 PolarHBondContact O-N 3.28Å; H129-Q132 WeakPolarHBondContact O-CB 3.21Å; H129-Q132 PolarHBondContact O-N 2.86Å; H129-T133 PolarHBondContact O-N 3.35Å; H129-T133 PolarHBondContact O-OG1 2.92Å
130Q89.8Confident90.5Very high120 Ų12069.7 Ų69.756%0.56136%0.357SS*.Hα-helixtrans-59.6-39.7177.9-65168.7-4.300112.6P128 A134P128-Q130 PolarHBondContact O-N 3.39Å; P128-Q130 VanDerWaalsContact O-N 3.09Å; Q130-A134 WeakPolarHBondContact O-CB 3.43Å; Q130-A134 PolarHBondContact O-N 2.86Å; Q130-A134 VanDerWaalsContact O-N 3.14Å
131V93.3Very high90.5Very high7 Ų770.5 Ų70.54%0.04236%0.362CS..Hα-helixtrans-72.1-41.3177.8-176.10000109.8L127 P128 H129 T133 A134 L135 A150 L153 L154L127-V131 HydrophobicContact CB-CB 4.48Å; L127-V131 HydrophobicContact CD1-CG1 4.1Å; P128-V131 HydrophobicContact CB-CG2 4.36Å; P128-V131 WeakPolarHBondContact O-CA 3.14Å; P128-V131 WeakPolarHBondContact O-CB 3.4Å; P128-V131 PolarHBondContact O-N 3.4Å; H129-V131 VanDerWaalsContact C-N 3.29Å; H129-V131 PolarHBondContact O-N 3.28Å; V131-T133 PolarHBondContact O-N 3.34Å; V131-A134 PolarHBondContact O-N 3.46Å; V131-L135 HydrophobicContact CG1-CD1 3.84Å; V131-L135 HydrophobicContact CG1-CG 4.32Å; V131-L135 WeakPolarHBondContact O-CB 3.31Å; V131-L135 VanDerWaalsContact O-CG 3.22Å; V131-L135 WeakPolarHBondContact O-CG 3.43Å; V131-L135 PolarHBondContact O-N 3.36Å; V131-A150 HydrophobicContact CG1-CB 3.88Å; V131-L153 HydrophobicContact CG1-CB 4.39Å; V131-L153 HydrophobicContact CG1-CD1 4.09Å; V131-L154 HydrophobicContact CG2-CD2 3.84Å; V131-L154 HydrophobicContact CG2-CG 3.94Å
132Q93.1Very high90.7Very high62 Ų6267.3 Ų67.329%0.2935%0.354SS..Hα-helixtrans-56.5-49.5175.3-62.7-177.227.900111.4L124 L127 P128 H129 A134 L135 L136L124-Q132 VanDerWaalsContact O-CG 3.3Å; L124-Q132 WeakPolarHBondContact O-CG 3.46Å; L124-Q132 PolarHBondContact O-NE2 2.9Å; L124-Q132 VanDerWaalsContact O-NE2 3.12Å; L127-Q132 HydrophobicContact CB-CG 3.9Å; L127-Q132 PolarHBondContact O-NE2 3.18Å; P128-Q132 PolarHBondContact O-N 2.91Å; P128-Q132 VanDerWaalsContact O-N 3.08Å; H129-Q132 WeakPolarHBondContact O-CB 3.21Å; H129-Q132 PolarHBondContact O-N 2.86Å; Q132-A134 VanDerWaalsContact C-N 3.33Å; Q132-A134 PolarHBondContact O-N 3.36Å; Q132-L135 PolarHBondContact O-N 3.22Å; Q132-L135 VanDerWaalsContact O-N 3.08Å; Q132-L136 PolarHBondContact O-N 3.32Å; Q132-L136 VanDerWaalsContact O-N 3.12Å
133T91.8Very high90.9Very high67 Ų6766 Ų6641%0.41135%0.347SS..Hα-helixtrans-63.2-38.8-179.8-510000112.1H129 V131 L135 L136H129-T133 PolarHBondContact O-N 3.35Å; H129-T133 PolarHBondContact O-OG1 2.92Å; V131-T133 PolarHBondContact O-N 3.34Å; T133-L135 VanDerWaalsContact C-N 3.25Å; T133-L135 PolarHBondContact O-N 2.85Å; T133-L136 WeakPolarHBondContact O-CB 3.26Å; T133-L136 PolarHBondContact O-N 3.31Å
134A92.4Very high90.9Very high44 Ų4468.5 Ų68.536%0.36437%0.367SS..Hα-helixtrans-69.1-23.3176.500000113.3Q130 V131 Q132 L153Q130-A134 WeakPolarHBondContact O-CB 3.43Å; Q130-A134 PolarHBondContact O-N 2.86Å; Q130-A134 VanDerWaalsContact O-N 3.14Å; V131-A134 PolarHBondContact O-N 3.46Å; Q132-A134 VanDerWaalsContact C-N 3.33Å; Q132-A134 PolarHBondContact O-N 3.36Å; A134-L153 HydrophobicContact CB-CD1 3.63Å; A134-L153 HydrophobicContact CB-CD2 4.22Å
135L93.6Very high91Very high3 Ų370 Ų702%0.01637%0.374CS..Hα-helixtrans-90.3-12.8177.9-67.1173.8000113.7L127 V131 Q132 T133 P137 F138 E139 L146 L149 A150 L153L127-L135 HydrophobicContact CD1-CD1 3.69Å; V131-L135 HydrophobicContact CG1-CD1 3.84Å; V131-L135 HydrophobicContact CG1-CG 4.32Å; V131-L135 WeakPolarHBondContact O-CB 3.31Å; V131-L135 VanDerWaalsContact O-CG 3.22Å; V131-L135 WeakPolarHBondContact O-CG 3.43Å; V131-L135 PolarHBondContact O-N 3.36Å; Q132-L135 PolarHBondContact O-N 3.22Å; Q132-L135 VanDerWaalsContact O-N 3.08Å; T133-L135 VanDerWaalsContact C-N 3.25Å; T133-L135 PolarHBondContact O-N 2.85Å; L135-P137 VanDerWaalsContact C-N 3.32Å; L135-F138 CarbonylContact O-C 3.6Å; L135-F138 WeakPolarHBondContact O-CA 3.47Å; L135-F138 PolarHBondContact O-N 3.48Å; L135-E139 PolarHBondContact O-N 3.28Å; L135-L146 HydrophobicContact CB-CD2 4.15Å; L135-L146 HydrophobicContact CD2-CD2 3.95Å; L135-L146 HydrophobicContact CG-CD2 4.42Å; L135-L149 HydrophobicContact CD2-CB 3.71Å; L135-L149 HydrophobicContact CD2-CD1 4.48Å; L135-A150 HydrophobicContact CD1-CB 3.9Å; L135-L153 HydrophobicContact CD2-CD1 4.09Å; L135-L153 HydrophobicContact CG-CD1 4.24Å
136L91Very high91.2Very high109 Ų10966.6 Ų66.657%0.57135%0.35SS*.G310 helixtrans-48.8-43-179-151.496.6000113.7Q132 T133 F138 E139Q132-L136 PolarHBondContact O-N 3.32Å; Q132-L136 VanDerWaalsContact O-N 3.12Å; T133-L136 WeakPolarHBondContact O-CB 3.26Å; T133-L136 PolarHBondContact O-N 3.31Å; L136-F138 PolarHBondContact O-N 3.05Å; L136-F138 VanDerWaalsContact O-N 3.14Å; L136-E139 WeakPolarHBondContact CD1-OE1 3.47Å; L136-E139 VanDerWaalsContact CG-OE1 3.23Å; L136-E139 WeakPolarHBondContact CG-OE1 3.28Å; L136-E139 VanDerWaalsContact O-CG 3.31Å; L136-E139 WeakPolarHBondContact O-CG 3.46Å
137P91.8Very high91.4Very high105 Ų10563.1 Ų63.168%0.68234%0.336SS*.G310 helixtrans-69.5-9.9178.1-19.434.5000114.5L135L135-P137 VanDerWaalsContact C-N 3.32Å
138F91.4Very high91.6Very high85 Ų8570.1 Ų70.137%0.37336%0.362SS..G310 helixtrans-117.111.4-173-54-71000113L135 L136 E140 K141 L146 L149L135-F138 CarbonylContact O-C 3.6Å; L135-F138 WeakPolarHBondContact O-CA 3.47Å; L135-F138 PolarHBondContact O-N 3.48Å; L136-F138 PolarHBondContact O-N 3.05Å; L136-F138 VanDerWaalsContact O-N 3.14Å; F138-E140 PolarHBondContact O-N 2.87Å; F138-E140 VanDerWaalsContact O-N 3.11Å; F138-K141 HydrophobicContact CB-CD 4.18Å; F138-K141 HydrophobicContact CB-CG 4.34Å; F138-K141 HydrophobicContact CD1-CD 4.24Å; F138-K141 VanDerWaalsContact O-CB 3.26Å; F138-K141 WeakPolarHBondContact O-CB 3.46Å; F138-K141 PolarHBondContact O-N 3.16Å; F138-L146 HydrophobicContact CB-CD2 3.95Å; F138-L146 WeakPolarHBondContact O-CD2 3.37Å; F138-L149 HydrophobicContact CB-CD1 4.39Å; F138-L149 HydrophobicContact CD2-CD1 4.35Å; F138-L149 HydrophobicContact CG-CD1 4.19Å
139E85.4Confident91.8Very high92 Ų9270.2 Ų70.243%0.4336%0.36SS..THydrogen-bonded Turntrans-54.7-32.7-172.7-75.5176.8-169.100114.6L135 L136 K141L135-E139 PolarHBondContact O-N 3.28Å; L136-E139 WeakPolarHBondContact CD1-OE1 3.47Å; L136-E139 VanDerWaalsContact CG-OE1 3.23Å; L136-E139 WeakPolarHBondContact CG-OE1 3.28Å; L136-E139 VanDerWaalsContact O-CG 3.31Å; L136-E139 WeakPolarHBondContact O-CG 3.46Å; E139-K141 VanDerWaalsContact C-N 3.28Å; E139-K141 PolarHBondContact O-N 3.2Å
140E85.6Confident92Very high195 Ų19564.7 Ų64.791%0.91134%0.335SS*.THydrogen-bonded Turntrans-77.5-10.2179.8-60.3-157.8170.400114F138F138-E140 PolarHBondContact O-N 2.87Å; F138-E140 VanDerWaalsContact O-N 3.11Å
141K90.8Very high92.3Very high72 Ų7260.6 Ų60.631%0.31332%0.317SS..SBendtrans-64.2155.4178.3-73.7-163.5166.5-158.60111.7R120 F138 E139 L143 E145 L146 L149R120-K141 PolarHBondContact NH2-O 2.83Å; F138-K141 HydrophobicContact CB-CD 4.18Å; F138-K141 HydrophobicContact CB-CG 4.34Å; F138-K141 HydrophobicContact CD1-CD 4.24Å; F138-K141 VanDerWaalsContact O-CB 3.26Å; F138-K141 WeakPolarHBondContact O-CB 3.46Å; F138-K141 PolarHBondContact O-N 3.16Å; E139-K141 VanDerWaalsContact C-N 3.28Å; E139-K141 PolarHBondContact O-N 3.2Å; K141-L143 PolarHBondContact O-N 3.35Å; K141-E145 HydrophobicContact CD-CG 4.43Å; K141-E145 IonicContact NZ-OE1 3.6Å; K141-E145 PolarHBondContact NZ-OE1 3.03Å; K141-L146 HydrophobicContact CB-CG 4.21Å; K141-L149 HydrophobicContact CD-CD1 4.47Å
142P91.4Very high92.3Very high74 Ų7468.8 Ų68.848%0.48135%0.347SS..  trans-57.1137.9172.222.9-32.4000110.1A144 E145 L146P142-A144 PolarHBondContact O-N 2.95Å; P142-A144 VanDerWaalsContact O-N 3.11Å; P142-E145 HydrophobicContact CG-CB 3.99Å; P142-E145 WeakPolarHBondContact O-CA 3.19Å; P142-E145 WeakPolarHBondContact O-CB 3.43Å; P142-E145 PolarHBondContact O-N 3.37Å; P142-L146 PolarHBondContact O-N 2.69Å; P142-L146 VanDerWaalsContact O-N 3.16Å
143L91Very high92.3Very high6 Ų668.7 Ų68.73%0.03135%0.348CS..Hα-helixtrans-58.3-33.6-169.6-17055.6000113.2L100 I119 R120 F123 K141 E145 L146 A147L100-L143 HydrophobicContact CD1-CD1 4.39Å; L100-L143 HydrophobicContact CD1-CD2 3.44Å; L100-L143 VanDerWaalsContact CD1-CD2 3.44Å; L100-L143 HydrophobicContact CD1-CG 3.59Å; L100-L143 HydrophobicContact CD2-CB 4.42Å; L100-L143 HydrophobicContact CD2-CD2 4.47Å; L100-L143 HydrophobicContact CD2-CG 3.81Å; L100-L143 WeakPolarHBondContact CD2-O 3.23Å; L100-L143 HydrophobicContact CG-CG 4.36Å; I119-L143 HydrophobicContact CB-CD2 4.35Å; I119-L143 HydrophobicContact CG2-CD2 3.8Å; R120-L143 HydrophobicContact CB-CD1 4.08Å; R120-L143 HydrophobicContact CB-CD2 4Å; R120-L143 HydrophobicContact CG-CD1 4.04Å; F123-L143 HydrophobicContact CB-CD1 4.4Å; F123-L143 HydrophobicContact CD1-CD1 3.62Å; F123-L143 HydrophobicContact CE1-CD1 4.24Å; F123-L143 HydrophobicContact CG-CD1 4.2Å; K141-L143 PolarHBondContact O-N 3.35Å; L143-E145 VanDerWaalsContact C-N 3.29Å; L143-E145 PolarHBondContact O-N 3.02Å; L143-L146 HydrophobicContact CD1-CD1 4.36Å; L143-L146 WeakPolarHBondContact O-CB 3.17Å; L143-L146 PolarHBondContact O-N 2.77Å; L143-A147 PolarHBondContact O-N 3.04Å
144A92.2Very high92.2Very high51 Ų5166.6 Ų66.642%0.42133%0.334SS..Hα-helixtrans-67.2-25.3175.500000114.1P142 R148P142-A144 PolarHBondContact O-N 2.95Å; P142-A144 VanDerWaalsContact O-N 3.11Å; A144-R148 WeakPolarHBondContact O-CG 3.4Å; A144-R148 PolarHBondContact O-NE 3.06Å; A144-R148 VanDerWaalsContact O-NE 3.15Å
145E93.6Very high92.1Very high69 Ų6967 Ų6732%0.32234%0.338SS..Hα-helixtrans-82.8-41.1174.5-165.3-179.4160.100110.7K141 P142 L143 A147 R148 L149K141-E145 HydrophobicContact CD-CG 4.43Å; K141-E145 IonicContact NZ-OE1 3.6Å; K141-E145 PolarHBondContact NZ-OE1 3.03Å; P142-E145 HydrophobicContact CG-CB 3.99Å; P142-E145 WeakPolarHBondContact O-CA 3.19Å; P142-E145 WeakPolarHBondContact O-CB 3.43Å; P142-E145 PolarHBondContact O-N 3.37Å; L143-E145 VanDerWaalsContact C-N 3.29Å; L143-E145 PolarHBondContact O-N 3.02Å; E145-A147 VanDerWaalsContact C-N 3.27Å; E145-A147 PolarHBondContact O-N 3.37Å; E145-R148 PolarHBondContact O-N 3Å; E145-R148 VanDerWaalsContact O-N 3.11Å; E145-L149 PolarHBondContact O-N 3.42Å
146L94.2Very high91.8Very high0 Ų072.3 Ų72.30%037%0.366CS..Hα-helixtrans-53.6-45.3171-86168.9000111.7L135 F138 K141 P142 L143 R148 L149 A150L135-L146 HydrophobicContact CB-CD2 4.15Å; L135-L146 HydrophobicContact CD2-CD2 3.95Å; L135-L146 HydrophobicContact CG-CD2 4.42Å; F138-L146 HydrophobicContact CB-CD2 3.95Å; F138-L146 WeakPolarHBondContact O-CD2 3.37Å; K141-L146 HydrophobicContact CB-CG 4.21Å; P142-L146 PolarHBondContact O-N 2.69Å; P142-L146 VanDerWaalsContact O-N 3.16Å; L143-L146 HydrophobicContact CD1-CD1 4.36Å; L143-L146 WeakPolarHBondContact O-CB 3.17Å; L143-L146 PolarHBondContact O-N 2.77Å; L146-R148 VanDerWaalsContact C-N 3.34Å; L146-R148 PolarHBondContact O-N 3.11Å; L146-L149 WeakPolarHBondContact O-CB 3.49Å; L146-L149 PolarHBondContact O-N 2.91Å; L146-A150 WeakPolarHBondContact O-CB 3.09Å; L146-A150 PolarHBondContact O-N 2.82Å
147A94.9Very high91.3Very high0 Ų072.4 Ų72.40%036%0.358CS..Hα-helixtrans-66.2-35.417900000113.2L100 F123 L143 E145 L149 A150 D151L100-A147 HydrophobicContact CB-CB 4.15Å; L100-A147 HydrophobicContact CD2-CB 3.69Å; F123-A147 HydrophobicContact CE1-CB 4.26Å; F123-A147 HydrophobicContact CE2-CB 4.1Å; F123-A147 HydrophobicContact CZ-CB 3.6Å; L143-A147 PolarHBondContact O-N 3.04Å; E145-A147 VanDerWaalsContact C-N 3.27Å; E145-A147 PolarHBondContact O-N 3.37Å; A147-L149 VanDerWaalsContact C-N 3.35Å; A147-A150 WeakPolarHBondContact O-CB 3.46Å; A147-A150 PolarHBondContact O-N 2.95Å; A147-D151 VanDerWaalsContact O-CG 3.23Å; A147-D151 PolarHBondContact O-N 3.08Å
148R95.4Very high90.5Very high153 Ų15372.8 Ų72.858%0.57735%0.351SS*.Hα-helixtrans-66.9-35173.1-78.6-176.9-92.4173.5-9.7112.6A144 E145 L146 R152A144-R148 WeakPolarHBondContact O-CG 3.4Å; A144-R148 PolarHBondContact O-NE 3.06Å; A144-R148 VanDerWaalsContact O-NE 3.15Å; E145-R148 PolarHBondContact O-N 3Å; E145-R148 VanDerWaalsContact O-N 3.11Å; L146-R148 VanDerWaalsContact C-N 3.34Å; L146-R148 PolarHBondContact O-N 3.11Å; R148-R152 WeakPolarHBondContact O-CG 3.48Å; R148-R152 PolarHBondContact O-N 3.21Å
149L94.9Very high89.6Confident45 Ų4572.5 Ų72.524%0.23636%0.36CS..Hα-helixtrans-67.7-43.2172.5-69.4174000110.9L135 F138 K141 E145 L146 A147 D151 R152 L153L135-L149 HydrophobicContact CD2-CB 3.71Å; L135-L149 HydrophobicContact CD2-CD1 4.48Å; F138-L149 HydrophobicContact CB-CD1 4.39Å; F138-L149 HydrophobicContact CD2-CD1 4.35Å; F138-L149 HydrophobicContact CG-CD1 4.19Å; K141-L149 HydrophobicContact CD-CD1 4.47Å; E145-L149 PolarHBondContact O-N 3.42Å; L146-L149 WeakPolarHBondContact O-CB 3.49Å; L146-L149 PolarHBondContact O-N 2.91Å; A147-L149 VanDerWaalsContact C-N 3.35Å; L149-D151 PolarHBondContact O-N 2.96Å; L149-R152 PolarHBondContact O-N 3.48Å; L149-L153 WeakPolarHBondContact O-CG 3.41Å; L149-L153 PolarHBondContact O-N 3.07Å
150A94.4Very high88.7Confident0 Ų075.6 Ų75.60%037%0.374CS..Hα-helixtrans-59.6-42.9176.200000112.3P96 F123 L127 V131 L135 L146 A147 R152 L153 L154P96-A150 HydrophobicContact CB-CB 3.55Å; P96-A150 HydrophobicContact CG-CB 3.65Å; F123-A150 HydrophobicContact CZ-CB 4.39Å; L127-A150 HydrophobicContact CD1-CB 4.21Å; V131-A150 HydrophobicContact CG1-CB 3.88Å; L135-A150 HydrophobicContact CD1-CB 3.9Å; L146-A150 WeakPolarHBondContact O-CB 3.09Å; L146-A150 PolarHBondContact O-N 2.82Å; A147-A150 WeakPolarHBondContact O-CB 3.46Å; A147-A150 PolarHBondContact O-N 2.95Å; A150-R152 VanDerWaalsContact C-N 3.32Å; A150-R152 PolarHBondContact O-N 2.86Å; A150-L153 PolarHBondContact O-N 2.83Å; A150-L154 PolarHBondContact O-N 3.18Å
151D95.2Very high87.7Confident34 Ų3472.7 Ų72.718%0.18236%0.364CS..Hα-helixtrans-55.2-47.5174.4-69.1-17.2000111.4P95 P96 S97 A147 L149 L153 L154 A155P95-D151 WeakPolarHBondContact CB-OD1 3.39Å; P96-D151 WeakPolarHBondContact CA-OD1 3.34Å; P96-D151 WeakPolarHBondContact CB-OD1 3.46Å; P96-D151 WeakPolarHBondContact CD-OD1 3.31Å; S97-D151 WeakPolarHBondContact CB-OD2 3.3Å; S97-D151 PolarHBondContact N-OD1 3.32Å; S97-D151 PolarHBondContact OG-OD1 3.17Å; S97-D151 PolarHBondContact OG-OD2 2.9Å; A147-D151 VanDerWaalsContact O-CG 3.23Å; A147-D151 PolarHBondContact O-N 3.08Å; L149-D151 PolarHBondContact O-N 2.96Å; D151-L153 PolarHBondContact O-N 3.46Å; D151-L154 PolarHBondContact O-N 2.94Å; D151-A155 WeakPolarHBondContact O-CB 3.45Å; D151-A155 PolarHBondContact O-N 3.24Å
152R93.4Very high86.1Confident178 Ų17874.4 Ų74.467%0.67239%0.385SS*.Hα-helixtrans-64.3-41.9-179.7-68.5174.8-176.9-168.20.1111.5R148 L149 A150 L154 A155 L156R148-R152 WeakPolarHBondContact O-CG 3.48Å; R148-R152 PolarHBondContact O-N 3.21Å; L149-R152 PolarHBondContact O-N 3.48Å; A150-R152 VanDerWaalsContact C-N 3.32Å; A150-R152 PolarHBondContact O-N 2.86Å; R152-L154 VanDerWaalsContact C-N 3.34Å; R152-L154 PolarHBondContact O-N 2.86Å; R152-A155 PolarHBondContact O-N 3.16Å; R152-L156 VanDerWaalsContact O-CG 3.24Å; R152-L156 WeakPolarHBondContact O-CG 3.35Å; R152-L156 PolarHBondContact O-N 3.19Å
153L92.9Very high84Confident61 Ų6173.9 Ų73.932%0.31939%0.387SS..Hα-helixtrans-62.6-41.2178-72.8169000111.9V131 A134 L135 L149 A150 D151 R157V131-L153 HydrophobicContact CG1-CB 4.39Å; V131-L153 HydrophobicContact CG1-CD1 4.09Å; A134-L153 HydrophobicContact CB-CD1 3.63Å; A134-L153 HydrophobicContact CB-CD2 4.22Å; L135-L153 HydrophobicContact CD2-CD1 4.09Å; L135-L153 HydrophobicContact CG-CD1 4.24Å; L149-L153 WeakPolarHBondContact O-CG 3.41Å; L149-L153 PolarHBondContact O-N 3.07Å; A150-L153 PolarHBondContact O-N 2.83Å; D151-L153 PolarHBondContact O-N 3.46Å; L153-R157 PolarHBondContact O-N 3.27Å
154L91.2Very high81.7Confident22 Ų2278.7 Ų78.712%0.11542%0.421CS..Hα-helixtrans-70-43.4176.3-77169.7000112.5L91 P96 P128 V131 A150 D151 R152 L156 R157 E158L91-L154 HydrophobicContact CD2-CD1 4.15Å; P96-L154 VanDerWaalsContact CD-CD1 3.44Å; P96-L154 HydrophobicContact CG-CD1 3.35Å; P128-L154 HydrophobicContact CG-CD2 4.21Å; V131-L154 HydrophobicContact CG2-CD2 3.84Å; V131-L154 HydrophobicContact CG2-CG 3.94Å; A150-L154 PolarHBondContact O-N 3.18Å; D151-L154 PolarHBondContact O-N 2.94Å; R152-L154 VanDerWaalsContact C-N 3.34Å; R152-L154 PolarHBondContact O-N 2.86Å; L154-L156 VanDerWaalsContact C-N 3.29Å; L154-L156 PolarHBondContact O-N 3.49Å; L154-R157 WeakPolarHBondContact O-CB 3.13Å; L154-R157 PolarHBondContact O-N 3.08Å; L154-E158 PolarHBondContact O-N 2.92Å
155A89.5Confident79.4Confident54 Ų5480.7 Ų80.745%0.44643%0.43SS..Hα-helixtrans-59.9-39.1177.400000112.3D151 R152 R157 E158 S159D151-A155 WeakPolarHBondContact O-CB 3.45Å; D151-A155 PolarHBondContact O-N 3.24Å; R152-A155 PolarHBondContact O-N 3.16Å; A155-R157 VanDerWaalsContact C-N 3.31Å; A155-R157 PolarHBondContact O-N 2.7Å; A155-E158 PolarHBondContact O-N 2.86Å; A155-S159 WeakPolarHBondContact O-CB 3.27Å; A155-S159 PolarHBondContact O-N 3.43Å
156L86.8Confident77.1Confident114 Ų11481.9 Ų81.960%0.59744%0.441SS*.Hα-helixtrans-61.7-40174.6-72.7170.9000111.7R152 L154 S159 Q160R152-L156 VanDerWaalsContact O-CG 3.24Å; R152-L156 WeakPolarHBondContact O-CG 3.35Å; R152-L156 PolarHBondContact O-N 3.19Å; L154-L156 VanDerWaalsContact C-N 3.29Å; L154-L156 PolarHBondContact O-N 3.49Å; L156-S159 PolarHBondContact O-N 3.49Å; L156-Q160 WeakPolarHBondContact O-CG 3.13Å; L156-Q160 PolarHBondContact O-N 3.35Å; L156-Q160 VanDerWaalsContact O-N 3.09Å
157R80.6Confident74.8Confident111 Ų11185 Ų8542%0.41946%0.463SS..Hα-helixtrans-68-44.5178.5-174.7-177173.8-162.8-1.9112.2L153 L154 A155 S159 Q160 L161L153-R157 PolarHBondContact O-N 3.27Å; L154-R157 WeakPolarHBondContact O-CB 3.13Å; L154-R157 PolarHBondContact O-N 3.08Å; A155-R157 VanDerWaalsContact C-N 3.31Å; A155-R157 PolarHBondContact O-N 2.7Å; R157-S159 VanDerWaalsContact C-N 3.27Å; R157-S159 PolarHBondContact O-N 3.26Å; R157-Q160 PolarHBondContact O-N 3.36Å; R157-L161 HydrophobicContact CG-CD1 4.31Å; R157-L161 WeakPolarHBondContact O-CG 3.44Å; R157-L161 PolarHBondContact O-N 3.2Å; R157-L161 VanDerWaalsContact O-N 3.11Å
158E76.5Confident72.5Confident113 Ų11388.9 Ų88.953%0.52850%0.495SS..Hα-helixtrans-61.4-38.8176.7-71.7174.5-174.500111.6L154 A155 Q160 L161 S162L154-E158 PolarHBondContact O-N 2.92Å; A155-E158 PolarHBondContact O-N 2.86Å; E158-Q160 VanDerWaalsContact C-N 3.35Å; E158-Q160 PolarHBondContact O-N 3.28Å; E158-L161 PolarHBondContact O-N 3Å; E158-S162 PolarHBondContact O-N 3.41Å; E158-S162 PolarHBondContact O-OG 2.94Å
159S72.4Confident70.3Confident79 Ų7985.4 Ų85.455%0.55249%0.491SS*.Hα-helixtrans-64.2-38.4174.9-167.10000112.3A155 L156 R157 L161 S162 A163A155-S159 WeakPolarHBondContact O-CB 3.27Å; A155-S159 PolarHBondContact O-N 3.43Å; L156-S159 PolarHBondContact O-N 3.49Å; R157-S159 VanDerWaalsContact C-N 3.27Å; R157-S159 PolarHBondContact O-N 3.26Å; S159-L161 VanDerWaalsContact C-N 3.29Å; S159-L161 PolarHBondContact O-N 3.35Å; S159-S162 PolarHBondContact O-N 2.97Å; S159-A163 WeakPolarHBondContact O-CB 3.46Å; S159-A163 PolarHBondContact O-N 3.27Å
160Q66.1Low68.4Low156 Ų15685.8 Ų85.873%0.72950%0.5SS*.Hα-helixtrans-68.7-25.6174.9-72-167.3-10.400113.8L156 R157 E158L156-Q160 WeakPolarHBondContact O-CG 3.13Å; L156-Q160 PolarHBondContact O-N 3.35Å; L156-Q160 VanDerWaalsContact O-N 3.09Å; R157-Q160 PolarHBondContact O-N 3.36Å; E158-Q160 VanDerWaalsContact C-N 3.35Å; E158-Q160 PolarHBondContact O-N 3.28Å
161L63.7Low66.5Low134 Ų13492 Ų9270%0.70253%0.529SS*.Hα-helixtrans-84.7-28.6175.8-68.5165.9000112.7R157 E158 S159R157-L161 HydrophobicContact CG-CD1 4.31Å; R157-L161 WeakPolarHBondContact O-CG 3.44Å; R157-L161 PolarHBondContact O-N 3.2Å; R157-L161 VanDerWaalsContact O-N 3.11Å; E158-L161 PolarHBondContact O-N 3Å; S159-L161 VanDerWaalsContact C-N 3.29Å; S159-L161 PolarHBondContact O-N 3.35Å
162S58.5Low64.8Low109 Ų10991.7 Ų91.776%0.76254%0.535SS*.Hα-helixtrans-87.6-19.1177.9-70.50000114.1E158 S159 S164E158-S162 PolarHBondContact O-N 3.41Å; E158-S162 PolarHBondContact O-OG 2.94Å; S159-S162 PolarHBondContact O-N 2.97Å; S162-S164 PolarHBondContact O-N 2.69Å; S162-S164 VanDerWaalsContact O-N 3.1Å
163A46.3Very low63.5Low62 Ų6286.9 Ų86.951%0.51253%0.525SS..SBendtrans-70.3105.9167.700000108.7S159S159-A163 WeakPolarHBondContact O-CB 3.46Å; S159-A163 PolarHBondContact O-N 3.27Å
164S42.8Very low62.4Low107 Ų10789.9 Ų89.975%0.74854%0.537SS*.SBendtrans1.6129.6164.3-165.70000115.8S162 V166S162-S164 PolarHBondContact O-N 2.69Å; S162-S164 VanDerWaalsContact O-N 3.1Å; S164-V166 PolarHBondContact O-N 3.38Å; S164-V166 VanDerWaalsContact O-N 3.16Å
165P43.3Very low61.6Low93 Ų9391.6 Ų91.660%0.60456%0.555SS**  trans-55.8127.5-158.626.7-35.3000110.5C167P165-C167 HydrophobicContact CB-CB 3.98Å; P165-C167 HydrophobicContact CG-CB 4.3Å; P165-C167 PolarHBondContact O-N 3.48Å
166V46.4Very low61Low94 Ų9498.1 Ų98.157%0.5757%0.568SS**THydrogen-bonded Turntrans-6028.9156.6179.20000110.3S164 A168 T169 A170S164-V166 PolarHBondContact O-N 3.38Å; S164-V166 VanDerWaalsContact O-N 3.16Å; V166-A168 PolarHBondContact O-N 3.15Å; V166-T169 HydrophobicContact CG1-CG2 3.94Å; V166-T169 WeakPolarHBondContact CG1-OG1 3.24Å; V166-T169 PolarHBondContact O-N 3.12Å; V166-T169 VanDerWaalsContact O-N 3.09Å; V166-T169 PolarHBondContact O-OG1 3.27Å; V166-A170 PolarHBondContact O-N 2.73Å
167C46.2Very low60.9Low66 Ų6697.7 Ų97.745%0.44657%0.566SS.*Hα-helixtrans-59.5-24.1164.5-82.90000111.2P165 T169 Q171P165-C167 HydrophobicContact CB-CB 3.98Å; P165-C167 HydrophobicContact CG-CB 4.3Å; P165-C167 PolarHBondContact O-N 3.48Å; C167-T169 VanDerWaalsContact C-N 3.33Å; C167-T169 PolarHBondContact O-N 3.46Å; C167-Q171 WeakPolarHBondContact O-CB 3.37Å; C167-Q171 WeakPolarHBondContact O-CG 3.27Å; C167-Q171 PolarHBondContact O-N 3.41Å
168A46Very low61Low82 Ų8297.5 Ų97.568%0.67857%0.573SS**Hα-helixtrans-67.2-30.2172.600000113.2V166 G172V166-A168 PolarHBondContact O-N 3.15Å; A168-G172 WeakPolarHBondContact O-CA 3.45Å; A168-G172 PolarHBondContact O-N 3.32Å; A168-G172 VanDerWaalsContact O-N 3.12Å
169T50.4Low61.5Low80 Ų8095.8 Ų95.849%0.49157%0.567SS.*Hα-helixtrans-93.9-30.9175.276.50000112.4V166 C167 G172 V173V166-T169 HydrophobicContact CG1-CG2 3.94Å; V166-T169 WeakPolarHBondContact CG1-OG1 3.24Å; V166-T169 PolarHBondContact O-N 3.12Å; V166-T169 VanDerWaalsContact O-N 3.09Å; V166-T169 PolarHBondContact O-OG1 3.27Å; C167-T169 VanDerWaalsContact C-N 3.33Å; C167-T169 PolarHBondContact O-N 3.46Å; T169-G172 CarbonylContact O-C 3.42Å; T169-G172 PolarHBondContact O-N 3.37Å; T169-V173 WeakPolarHBondContact O-CB 3.03Å; T169-V173 WeakPolarHBondContact O-CG2 3.34Å; T169-V173 PolarHBondContact O-N 3.16Å
170A53.6Low62.1Low53 Ų5396.9 Ų96.944%0.43857%0.566SS.*Hα-helixtrans-63.1-48.8171.500000111.2V166 G172 V173 E174V166-A170 PolarHBondContact O-N 2.73Å; A170-G172 VanDerWaalsContact C-N 3.34Å; A170-G172 PolarHBondContact O-N 3.11Å; A170-V173 PolarHBondContact O-N 3.41Å; A170-E174 WeakPolarHBondContact O-CB 3.26Å; A170-E174 WeakPolarHBondContact O-CG 3.4Å; A170-E174 PolarHBondContact O-N 2.78Å
171Q53.9Low63.2Low129 Ų12993.6 Ų93.660%0.60355%0.551SS**Hα-helixtrans-67.8-33.6173.9-69.2176.4-3000112.2C167 A175C167-Q171 WeakPolarHBondContact O-CB 3.37Å; C167-Q171 WeakPolarHBondContact O-CG 3.27Å; C167-Q171 PolarHBondContact O-N 3.41Å; Q171-A175 WeakPolarHBondContact O-CB 3.2Å; Q171-A175 PolarHBondContact O-N 3.46Å
172G60.4Low64.3Low29 Ų2994.5 Ų94.530%0.29955%0.549SS..Hα-helixtrans-69.3-32.5175.500000113.3A168 T169 A170 R176A168-G172 WeakPolarHBondContact O-CA 3.45Å; A168-G172 PolarHBondContact O-N 3.32Å; A168-G172 VanDerWaalsContact O-N 3.12Å; T169-G172 CarbonylContact O-C 3.42Å; T169-G172 PolarHBondContact O-N 3.37Å; A170-G172 VanDerWaalsContact C-N 3.34Å; A170-G172 PolarHBondContact O-N 3.11Å; G172-R176 VanDerWaalsContact O-CB 3.24Å; G172-R176 WeakPolarHBondContact O-CB 3.48Å; G172-R176 WeakPolarHBondContact O-CD 3.25Å; G172-R176 WeakPolarHBondContact O-CG 3.33Å; G172-R176 PolarHBondContact O-N 3.38Å; G172-R176 VanDerWaalsContact O-N 3.11Å
173V66Low65.6Low77 Ų7794.1 Ų94.147%0.46753%0.534SS..Hα-helixtrans-80.8-39.7177.2179.20000109.9T169 A170 R176 L177T169-V173 WeakPolarHBondContact O-CB 3.03Å; T169-V173 WeakPolarHBondContact O-CG2 3.34Å; T169-V173 PolarHBondContact O-N 3.16Å; A170-V173 PolarHBondContact O-N 3.41Å; V173-R176 PolarHBondContact O-N 3.33Å; V173-L177 HydrophobicContact CG1-CD1 4.13Å; V173-L177 WeakPolarHBondContact O-CB 3.43Å; V173-L177 WeakPolarHBondContact O-CG 3.39Å; V173-L177 PolarHBondContact O-N 3.11Å
174E70.9Confident67.5Low124 Ų12494.7 Ų94.758%0.57953%0.531SS*.Hα-helixtrans-61.9-49170.6-79178.6167.500111.5A170 R176 L177 D178A170-E174 WeakPolarHBondContact O-CB 3.26Å; A170-E174 WeakPolarHBondContact O-CG 3.4Å; A170-E174 PolarHBondContact O-N 2.78Å; E174-R176 VanDerWaalsContact C-N 3.27Å; E174-R176 PolarHBondContact O-N 3.07Å; E174-L177 WeakPolarHBondContact O-CB 3.45Å; E174-L177 PolarHBondContact O-N 3.45Å; E174-D178 PolarHBondContact O-N 2.86Å
175A73.1Confident69.5Low58 Ų5896.8 Ų96.848%0.47952%0.522SS..Hα-helixtrans-62.6-33.9177.100000112.5Q171 D179Q171-A175 WeakPolarHBondContact O-CB 3.2Å; Q171-A175 PolarHBondContact O-N 3.46Å; A175-D179 VanDerWaalsContact O-CB 3.3Å; A175-D179 WeakPolarHBondContact O-CB 3.31Å; A175-D179 PolarHBondContact O-N 2.81Å
176R78Confident71.3Confident191 Ų19197.8 Ų97.872%0.72152%0.519SS*.Hα-helixtrans-73.8-33.3173.6-77178.671.4-1640.5112.6G172 V173 E174 L180G172-R176 VanDerWaalsContact O-CB 3.24Å; G172-R176 WeakPolarHBondContact O-CB 3.48Å; G172-R176 WeakPolarHBondContact O-CD 3.25Å; G172-R176 WeakPolarHBondContact O-CG 3.33Å; G172-R176 PolarHBondContact O-N 3.38Å; G172-R176 VanDerWaalsContact O-N 3.11Å; V173-R176 PolarHBondContact O-N 3.33Å; E174-R176 VanDerWaalsContact C-N 3.27Å; E174-R176 PolarHBondContact O-N 3.07Å; R176-L180 WeakPolarHBondContact O-CB 3.38Å; R176-L180 PolarHBondContact O-N 3.29Å
177L83.3Confident72.8Confident105 Ų10599.3 Ų99.355%0.5552%0.523SS..Hα-helixtrans-67.3-44.2172.7-87.3161.6000110.7V173 E174 L180 E181V173-L177 HydrophobicContact CG1-CD1 4.13Å; V173-L177 WeakPolarHBondContact O-CB 3.43Å; V173-L177 WeakPolarHBondContact O-CG 3.39Å; V173-L177 PolarHBondContact O-N 3.11Å; E174-L177 WeakPolarHBondContact O-CB 3.45Å; E174-L177 PolarHBondContact O-N 3.45Å; L177-L180 PolarHBondContact O-N 3.49Å; L177-E181 WeakPolarHBondContact O-CB 3.21Å; L177-E181 PolarHBondContact O-N 2.81Å
178D82.7Confident74.2Confident107 Ų107100.7 Ų100.757%0.57253%0.525SS*.Hα-helixtrans-62.9-44.9175-79.3-22.4000111.9E174 L180 E181 K182E174-D178 PolarHBondContact O-N 2.86Å; D178-L180 VanDerWaalsContact C-N 3.34Å; D178-L180 PolarHBondContact O-N 2.92Å; D178-E181 PolarHBondContact O-N 2.78Å; D178-K182 VanDerWaalsContact O-CB 3.31Å; D178-K182 WeakPolarHBondContact O-CB 3.36Å; D178-K182 PolarHBondContact O-N 2.77Å
179D87.3Confident75.4Confident76 Ų76102.8 Ų102.841%0.40652%0.524SS..Hα-helixtrans-63.4-40175.8179.363.3000111.7A175 K182 K183A175-D179 VanDerWaalsContact O-CB 3.3Å; A175-D179 WeakPolarHBondContact O-CB 3.31Å; A175-D179 PolarHBondContact O-N 2.81Å; D179-K182 PolarHBondContact O-N 3.4Å; D179-K183 WeakPolarHBondContact O-CB 3.43Å; D179-K183 WeakPolarHBondContact O-CG 3.3Å; D179-K183 PolarHBondContact O-N 3.28Å; D179-K183 IonicContact OD1-NZ 2.66Å; D179-K183 VanDerWaalsContact OD2-CE 3.29Å; D179-K183 WeakPolarHBondContact OD2-CE 3.18Å; D179-K183 IonicContact OD2-NZ 3.41Å; D179-K183 PolarHBondContact OD2-NZ 3.37Å
180L85.5Confident76Confident103 Ų103105.4 Ų105.454%0.53953%0.531SS..Hα-helixtrans-68.7-42.5177.2-167.866.1000111.6R176 L177 D178 K182 K183 V184R176-L180 WeakPolarHBondContact O-CB 3.38Å; R176-L180 PolarHBondContact O-N 3.29Å; L177-L180 PolarHBondContact O-N 3.49Å; D178-L180 VanDerWaalsContact C-N 3.34Å; D178-L180 PolarHBondContact O-N 2.92Å; L180-K182 VanDerWaalsContact C-N 3.3Å; L180-K182 PolarHBondContact O-N 3.48Å; L180-K183 PolarHBondContact O-N 2.93Å; L180-V184 VanDerWaalsContact O-CG2 3.3Å; L180-V184 WeakPolarHBondContact O-CG2 3.47Å; L180-V184 PolarHBondContact O-N 3.06Å
181E88.8Confident76.3Confident87 Ų87107.2 Ų107.241%0.40754%0.54SS..Hα-helixtrans-60.2-42.2174.7-173.9178.6171.800110.9L177 D178 V184 R185L177-E181 WeakPolarHBondContact O-CB 3.21Å; L177-E181 PolarHBondContact O-N 2.81Å; D178-E181 PolarHBondContact O-N 2.78Å; E181-V184 PolarHBondContact O-N 3Å; E181-R185 WeakPolarHBondContact O-CG 3.48Å; E181-R185 PolarHBondContact O-N 3.4Å; E181-R185 IonicContact OE1-CZ 3.64Å; E181-R185 IonicContact OE1-NE 3.24Å; E181-R185 IonicContact OE1-NH1 3.06Å; E181-R185 PolarHBondContact OE1-NH1 3.43Å; E181-R185 IonicContact OE1-NH2 2.69Å; E181-R185 PolarHBondContact OE1-NH2 3.42Å
182K88Confident76.3Confident152 Ų152109.1 Ų109.166%0.66155%0.549SS*.Hα-helixtrans-63.9-42.3176.6-158.5173.7-173.8176.70111.9D178 D179 L180 R185 Q186D178-K182 VanDerWaalsContact O-CB 3.31Å; D178-K182 WeakPolarHBondContact O-CB 3.36Å; D178-K182 PolarHBondContact O-N 2.77Å; D179-K182 PolarHBondContact O-N 3.4Å; L180-K182 VanDerWaalsContact C-N 3.3Å; L180-K182 PolarHBondContact O-N 3.48Å; K182-R185 PolarHBondContact O-N 2.93Å; K182-Q186 WeakPolarHBondContact O-CB 3.12Å; K182-Q186 PolarHBondContact O-N 2.65Å
183K85.7Confident75.7Confident102 Ų102110.3 Ų110.344%0.44356%0.561SS.*Hα-helixtrans-66.2-39175.5-76.2169.9178.6164.50112.7D179 L180 Q186 L187D179-K183 WeakPolarHBondContact O-CB 3.43Å; D179-K183 WeakPolarHBondContact O-CG 3.3Å; D179-K183 PolarHBondContact O-N 3.28Å; D179-K183 IonicContact OD1-NZ 2.66Å; D179-K183 VanDerWaalsContact OD2-CE 3.29Å; D179-K183 WeakPolarHBondContact OD2-CE 3.18Å; D179-K183 IonicContact OD2-NZ 3.41Å; D179-K183 PolarHBondContact OD2-NZ 3.37Å; L180-K183 PolarHBondContact O-N 2.93Å; K183-Q186 PolarHBondContact O-N 3.4Å; K183-L187 PolarHBondContact O-N 3.15Å
184V86.4Confident74.6Confident74 Ų74110.9 Ų110.945%0.44857%0.574SS.*Hα-helixtrans-65.5-44.1175.7170.70000110.9L180 E181 Q186 L187 I188L180-V184 VanDerWaalsContact O-CG2 3.3Å; L180-V184 WeakPolarHBondContact O-CG2 3.47Å; L180-V184 PolarHBondContact O-N 3.06Å; E181-V184 PolarHBondContact O-N 3Å; V184-Q186 VanDerWaalsContact C-N 3.3Å; V184-Q186 PolarHBondContact O-N 2.93Å; V184-L187 PolarHBondContact O-N 3.28Å; V184-I188 HydrophobicContact CG1-CD1 3.9Å; V184-I188 WeakPolarHBondContact O-CG1 3.28Å; V184-I188 PolarHBondContact O-N 3.33Å
185R83.8Confident73.2Confident151 Ų151110.3 Ų110.357%0.5758%0.581SS**Hα-helixtrans-58.3-43.3172.8-75.8179.9174.4136.54111.9E181 K182 L187 I188 L189E181-R185 WeakPolarHBondContact O-CG 3.48Å; E181-R185 PolarHBondContact O-N 3.4Å; E181-R185 IonicContact OE1-CZ 3.64Å; E181-R185 IonicContact OE1-NE 3.24Å; E181-R185 IonicContact OE1-NH1 3.06Å; E181-R185 PolarHBondContact OE1-NH1 3.43Å; E181-R185 IonicContact OE1-NH2 2.69Å; E181-R185 PolarHBondContact OE1-NH2 3.42Å; K182-R185 PolarHBondContact O-N 2.93Å; R185-L187 PolarHBondContact O-N 3.46Å; R185-I188 PolarHBondContact O-N 3.49Å; R185-L189 WeakPolarHBondContact O-CG 3.04Å; R185-L189 PolarHBondContact O-N 3.08Å; R185-L189 VanDerWaalsContact O-N 3.15Å
186Q80.4Confident71.7Confident114 Ų114119.1 Ų119.153%0.53360%0.602SS.*Hα-helixtrans-64.2-40.3178.7-1561731900111.4K182 K183 V184 L189 H190K182-Q186 WeakPolarHBondContact O-CB 3.12Å; K182-Q186 PolarHBondContact O-N 2.65Å; K183-Q186 PolarHBondContact O-N 3.4Å; V184-Q186 VanDerWaalsContact C-N 3.3Å; V184-Q186 PolarHBondContact O-N 2.93Å; Q186-L189 PolarHBondContact O-N 3.39Å; Q186-H190 PolarHBondContact O-N 3.46Å; Q186-H190 VanDerWaalsContact O-N 3.15Å; Q186-H190 PolarHBondContact O-ND1 3.41Å
187L77.9Confident70Confident126 Ų126121.4 Ų121.466%0.6661%0.61SS**Hα-helixtrans-63.9-42.2175.2-85.1159.3000113.1K183 V184 R185 L189 H190 S191K183-L187 PolarHBondContact O-N 3.15Å; V184-L187 PolarHBondContact O-N 3.28Å; R185-L187 PolarHBondContact O-N 3.46Å; L187-L189 VanDerWaalsContact C-N 3.35Å; L187-L189 PolarHBondContact O-N 3.25Å; L187-H190 PolarHBondContact O-N 3.28Å; L187-S191 PolarHBondContact O-N 3.31Å; L187-S191 VanDerWaalsContact O-N 3.12Å
188I76.3Confident67.5Low94 Ų94128.1 Ų128.148%0.48263%0.628SS.*Hα-helixtrans-60.7-46.1178.3-68.3166.3000110.2V184 R185 H190 S191V184-I188 HydrophobicContact CG1-CD1 3.9Å; V184-I188 WeakPolarHBondContact O-CG1 3.28Å; V184-I188 PolarHBondContact O-N 3.33Å; R185-I188 PolarHBondContact O-N 3.49Å; I188-H190 PolarHBondContact O-N 3.18Å; I188-S191 PolarHBondContact O-N 2.96Å; I188-S191 PolarHBondContact O-OG 2.82Å
189L71.3Confident65.6Low127 Ų127128.2 Ų128.267%0.66564%0.638SS**Hα-helixtrans-65.1-33.8179-67.4171.2000113.5R185 Q186 L187 S191R185-L189 WeakPolarHBondContact O-CG 3.04Å; R185-L189 PolarHBondContact O-N 3.08Å; R185-L189 VanDerWaalsContact O-N 3.15Å; Q186-L189 PolarHBondContact O-N 3.39Å; L187-L189 VanDerWaalsContact C-N 3.35Å; L187-L189 PolarHBondContact O-N 3.25Å; L189-S191 VanDerWaalsContact C-N 3.34Å
190H63.6Low63.3Low134 Ų134130.5 Ų130.562%0.6266%0.657SS**Hα-helixtrans-77.5-19.8176.5-73.483.2000113Q186 L187 I188Q186-H190 PolarHBondContact O-N 3.46Å; Q186-H190 VanDerWaalsContact O-N 3.15Å; Q186-H190 PolarHBondContact O-ND1 3.41Å; L187-H190 PolarHBondContact O-N 3.28Å; I188-H190 PolarHBondContact O-N 3.18Å
191S59.6Low60.9Low91 Ų91130.3 Ų130.364%0.63667%0.67SS**Hα-helixtrans-78.4-26.5178.682.60000113.4L187 I188 L189L187-S191 PolarHBondContact O-N 3.31Å; L187-S191 VanDerWaalsContact O-N 3.12Å; I188-S191 PolarHBondContact O-N 2.96Å; I188-S191 PolarHBondContact O-OG 2.82Å; L189-S191 VanDerWaalsContact C-N 3.34Å
192E54.4Low58.7Low170 Ų170132.1 Ų132.179%0.79469%0.689SS**SBendtrans-91.2-5.4-178.5-63.3-160.9139.600113.8
193G46.5Very low56.1Low54 Ų54131.2 Ų131.256%0.55770%0.697SS**  trans-111.47.1-168.600000117.3P195G193-P195 WeakPolarHBondContact O-CD 3.14Å
194A43.2Very low53.8Low88 Ų88134.8 Ų134.873%0.72772%0.715SS**  trans-77.2106.1-178.300000111.5R196A194-R196 PolarHBondContact O-N 2.98Å
195P41.5Very low51.2Low112 Ų112141.5 Ų141.573%0.72773%0.732SS**  trans-78.8125.5173.913.65.4000107.5G193 R197G193-P195 WeakPolarHBondContact O-CD 3.14Å; P195-R197 PolarHBondContact O-N 3.07Å
196R41.8Very low48.7Very low244 Ų244139.2 Ų139.292%0.92174%0.738SS**  trans-53.8103.7166.3-75.1-176.8175.3-159.7-0.7108.6A194 R198A194-R196 PolarHBondContact O-N 2.98Å; R196-R198 PolarHBondContact O-N 3.37Å
197R41.4Very low46.7Very low238 Ų238142.7 Ų142.790%0.89875%0.754SS**  trans-57.7110.5169-80.9-177.2174-114.51.1108.2P195 S199P195-R197 PolarHBondContact O-N 3.07Å; R197-S199 PolarHBondContact O-N 3.42Å
198R31.8Very low45.1Very low246 Ų246145.5 Ų145.593%0.92876%0.764SS**  trans-67.1110.1161.2-78.4178.6173.4176.3-2.1107.3R196R196-R198 PolarHBondContact O-N 3.37Å
199S43.1Very low43.5Very low110 Ų110145.8 Ų145.877%0.76977%0.772SS**PPolyproline II helixtrans-85.9136163.9-61.60000109.2R197R197-S199 PolarHBondContact O-N 3.42Å
200P38Very low41.8Very low124 Ų124149.7 Ų149.781%0.80578%0.778SS**PPolyproline II helixtrans-81.8150.7175.824.9-16.2000111.6
201A36.5Very low40.5Very low98 Ų98150.8 Ų150.881%0.8178%0.783SS**PPolyproline II helixtrans-65.4162.5179.900000113.6
202P40.7Very low39.3Very low126 Ų126150.8 Ų150.882%0.81878%0.783SS**  -127.6154.413028.8-13.5000113.8
203T34.1Very low38.6Very low133 Ų133154.3 Ų154.382%0.81679%0.789SS**  trans-69.5166-173-36.60000113.7
204E37.8Very low38.5Very low177 Ų177159.7 Ų159.783%0.82780%0.804SS**  trans98.8136.6163.9-55.6-164.6147.200115.9
205R32.4Very low38.5Very low214 Ų214161 Ų16181%0.80881%0.805SS**  cis-178141-12.8176.1177.4-119.9-142.22.7104.6
206C31.1Very low38.3Very low103 Ų103167.2 Ų167.270%0.69681%0.814SS**  trans64.7130.6161.5-770000117.5
207Q37.3Very low37.9Very low188 Ų188164.6 Ų164.688%0.87981%0.812SS**  cis-163.416132.5-106164.468.100110
208Q44.6Very low37.7Very low185 Ų185158.3 Ų158.386%0.86481%0.805SS**  trans-87.8-161.4-170.7-53.8179.9-2.300113.9
209P43.6Very low37.7Very low99 Ų99157.7 Ų157.764%0.64380%0.803SS**  -131.3-179.2-84.337-16.6000113.4
210R34.3Very low37.4Very low210 Ų210163.7 Ų163.779%0.79281%0.808SS**  148.1150.3123.9-74.9-168.9179.2-174.9-1.2114.3
211H36.4Very low37.3Very low156 Ų156165 Ų16572%0.72280%0.804SS**  trans82.293.4159.6-62.3-56.3000116.9
212S35.9Very low37.2Very low91 Ų91166.7 Ų166.764%0.63680%0.804SS**  80.7108.882.567.20000114.3
213R38.8Very low36.8Very low244 Ų244170.4 Ų170.492%0.92180%0.801SS**  162.7140.3117.3-85.7177.1-171.1-156.43110.8
214L45.2Very low36.6Very low167 Ų167175.5 Ų175.587%0.87481%0.806SS**  trans-74.6-168.8-179.2-63.8155.6000111.9
215P42.6Very low36.4Very low117 Ų117172.1 Ų172.176%0.7680%0.797SS**  -120.3168.1-99.530.9-9.4000111.1
216R37.7Very low36.2Very low241 Ų241172.4 Ų172.491%0.90980%0.8SS**  trans-146.3117.9165-125.2172.9168.9179.2-3.6114.2
217Q32.9Very low36.5Very low189 Ų189172.2 Ų172.288%0.88380%0.8SS**  trans-26.4132.1156.1-68.3164.3-18.200113.8
218S36.6Very low36.4Very low106 Ų106168.6 Ų168.674%0.74179%0.793SS**  trans-145.8100.3151179.60000108.9R220S218-R220 PolarHBondContact O-N 3.28Å
219R32.8Very low35.9Very low234 Ų234171.7 Ų171.788%0.88380%0.796SS**  trans-52.3112.2159.2-82.8171.2165.7162.4-5.1108.3Q221R219-Q221 PolarHBondContact O-N 3.47Å
220R35.7Very low35.3Very low235 Ų235169.9 Ų169.989%0.88780%0.795SS**  trans-9096.7157-80.8-171.7175.5-169.9-0.8108.4S218 V222S218-R220 PolarHBondContact O-N 3.28Å; R220-V222 PolarHBondContact O-N 3.12Å
221Q37.2Very low35.1Very low152 Ų152168 Ų16871%0.7180%0.801SS**  trans-57124.6164.6-76.3175.1-22.400109.3R219 R223R219-Q221 PolarHBondContact O-N 3.47Å; Q221-R223 VanDerWaalsContact C-N 3.33Å; Q221-R223 PolarHBondContact O-N 2.95Å
222V32.7Very low34.9Very low133 Ų133164 Ų16481%0.80679%0.79SS**  trans-66.194.5162176.70000107R220 R224R220-V222 PolarHBondContact O-N 3.12Å; V222-R224 PolarHBondContact O-N 3.31Å
223R32.6Very low34.9Very low204 Ų204168 Ų16877%0.7781%0.805SS**  trans-77.8100.8164.9-82.3-170.7174.6-161.6-1.5107.9Q221 T225Q221-R223 VanDerWaalsContact C-N 3.33Å; Q221-R223 PolarHBondContact O-N 2.95Å; R223-T225 VanDerWaalsContact C-N 3.28Å; R223-T225 PolarHBondContact O-N 3.31Å
224R30.7Very low34.8Very low240 Ų240160.8 Ų160.891%0.90679%0.788SS**  trans-66.991.4155.4-80.6-178.2172.7171.4-2.4107.5V222 Y226V222-R224 PolarHBondContact O-N 3.31Å; R224-Y226 PolarHBondContact O-N 3.29Å
225T32.8Very low35Very low107 Ų107160.9 Ų160.966%0.65678%0.784SS**  trans-83.9101.1164.739.20000108.4R223 S227R223-T225 VanDerWaalsContact C-N 3.28Å; R223-T225 PolarHBondContact O-N 3.31Å; T225-S227 PolarHBondContact O-N 3.11Å
226Y29.6Very low35.6Very low219 Ų219162.2 Ų162.286%0.85978%0.78SS**  trans-64.8107.2159.5-162.9-96.6000106.8R224R224-Y226 PolarHBondContact O-N 3.29Å
227S36.3Very low36.9Very low99 Ų99152.5 Ų152.569%0.69276%0.755SS**  trans-96.7116.7172.7-62.50000107.9T225T225-S227 PolarHBondContact O-N 3.11Å
228P36.3Very low39.1Very low112 Ų112145.5 Ų145.573%0.72773%0.73SS**  trans-90.498.5166.332.2-23.2000107.5
229R32.1Very low41.4Very low251 Ų251144 Ų14495%0.94772%0.716SS**  trans-155.3118.5169.7-98.7-176.2-173.4-159-0.4109.7
230G32.1Very low43.9Very low60 Ų60133.7 Ų133.762%0.61968%0.68SS**  trans165.374.8171.600000112.4S232G230-S232 PolarHBondContact O-N 2.85Å
231N30.1Very low46.3Very low171 Ų171132.5 Ų132.591%0.91468%0.677SS**  trans-60.2106.5168.6-169.247.2000109.6
232S32.5Very low48.6Very low71 Ų71132.2 Ų132.250%0.49767%0.67SS.*  trans-163121.4162.153.30000108.7G230 T234G230-S232 PolarHBondContact O-N 2.85Å; S232-T234 PolarHBondContact O-N 3.39Å; S232-T234 PolarHBondContact OG-OG1 2.68Å
233D35.3Very low51Low176 Ų176127.5 Ų127.594%0.94164%0.639SS**  trans-61.474.8167.7-69.7-45.4000110
234T37.9Very low53.6Low93 Ų93128.7 Ų128.757%0.57164%0.644SS**  trans-125.9120174.1-40.90000104.9S232 Q236S232-T234 PolarHBondContact O-N 3.39Å; S232-T234 PolarHBondContact OG-OG1 2.68Å; T234-Q236 PolarHBondContact O-N 3.38Å
235E48.8Very low56.3Low169 Ų169122.4 Ų122.479%0.7962%0.62SS**  trans-36.9101.4177.7-66.1179139.200110.2G237E235-G237 VanDerWaalsContact C-N 3.27Å; E235-G237 PolarHBondContact O-N 2.81Å
236Q55.1Low58.9Low144 Ų144124.5 Ų124.567%0.67362%0.62SS**  trans-75.688.2-173.3-87.3165.97.500107.8T234 A238T234-Q236 PolarHBondContact O-N 3.38Å; Q236-A238 PolarHBondContact O-N 3.32Å
237G64.5Low61.7Low38 Ų38114.5 Ų114.539%0.39258%0.582SS.*EExtended strand (participates in β ladder)trans-58.6117.4167.800000109E235 V247E235-G237 VanDerWaalsContact C-N 3.27Å; E235-G237 PolarHBondContact O-N 2.81Å; G237-V247 WeakPolarHBondContact CA-O 3.29Å
238A79.1Confident64.3Low42 Ų42112.2 Ų112.235%0.34756%0.564SS.*EExtended strand (participates in β ladder)trans-95.8147.8169.700000109.1Q236 C240 F246 V247 V249Q236-A238 PolarHBondContact O-N 3.32Å; A238-C240 PolarHBondContact O-N 2.91Å; A238-F246 CarbonylContact O-C 3.54Å; A238-F246 WeakPolarHBondContact O-CA 3.46Å; A238-V247 PolarHBondContact N-O 2.93Å; A238-V247 WeakPolarHBondContact O-CG2 3.05Å; A238-V247 PolarHBondContact O-N 3.47Å; A238-V249 HydrophobicContact CB-CG2 3.47Å; A238-V249 VanDerWaalsContact CB-CG2 3.47Å
239V84.6Confident66.9Low73 Ų73108.7 Ų108.744%0.44254%0.54SS..EExtended strand (participates in β ladder)trans-74.7118.3172.4177.60000108.6F246V239-F246 HydrophobicContact CG2-CD1 3.77Å; V239-F246 HydrophobicContact CG2-CE1 3.34Å; V239-F246 HydrophobicContact CG2-CE2 4.18Å; V239-F246 HydrophobicContact CG2-CG 4.35Å; V239-F246 HydrophobicContact CG2-CZ 3.58Å
240C85.1Confident69.7Low19 Ų19101.9 Ų101.913%0.12852%0.519CS..EExtended strand (participates in β ladder)trans-88.8111.9167.4-1750000109.4A238 Y242 H243 R244 R245 V247A238-C240 PolarHBondContact O-N 2.91Å; C240-Y242 VanDerWaalsContact C-N 3.3Å; C240-Y242 PolarHBondContact O-N 3.49Å; C240-H243 HydrophobicContact CB-CB 4.3Å; C240-H243 PolarHBondContact O-N 2.78Å; C240-H243 PolarHBondContact SG-ND1 2.95Å; C240-R244 WeakPolarHBondContact O-CA 3.49Å; C240-R244 PolarHBondContact O-N 2.83Å; C240-R245 PolarHBondContact N-O 2.85Å; C240-V247 HydrophobicContact CB-CB 4.34Å; C240-V247 HydrophobicContact CB-CG1 3.54Å; C240-V247 HydrophobicContact CB-CG2 3.78Å
241Y85.9Confident72.5Confident209 Ų209100.7 Ų100.782%0.8251%0.507SS*.THydrogen-bonded Turntrans-60.5-36.1-177.2-69.5-78.8000113.8R244Y241-R244 WeakPolarHBondContact O-CG 3.41Å
242Y85.6Confident75.4Confident146 Ų14696.7 Ų96.757%0.57349%0.493SS*.THydrogen-bonded Turntrans-67.8-49.2178.9179.9-96.5000111.8C240 R244 I278C240-Y242 VanDerWaalsContact C-N 3.3Å; C240-Y242 PolarHBondContact O-N 3.49Å; Y242-R244 PolarHBondContact O-N 2.87Å; Y242-I278 HydrophobicContact CD1-CG2 4.01Å; Y242-I278 HydrophobicContact CD2-CG2 4.33Å; Y242-I278 HydrophobicContact CE1-CG2 4.28Å; Y242-I278 HydrophobicContact CG-CD1 4.04Å; Y242-I278 HydrophobicContact CG-CG2 4.03Å
243H84.6Confident78.3Confident35 Ų3599.4 Ų99.416%0.16250%0.495CS..THydrogen-bonded Turntrans-79.5-6.8179.7-58.497.6000113.2C240 R245 T276C240-H243 HydrophobicContact CB-CB 4.3Å; C240-H243 PolarHBondContact O-N 2.78Å; C240-H243 PolarHBondContact SG-ND1 2.95Å; H243-R245 HydrophobicContact CB-CG 3.86Å; H243-R245 PolarHBondContact O-N 3.28Å; H243-R245 VanDerWaalsContact O-N 3.08Å; H243-T276 PolarHBondContact CE1-O 2.93Å; H243-T276 PolarHBondContact NE2-N 2.99Å; H243-T276 PolarHBondContact NE2-O 3.17Å
244R87Confident81.1Confident228 Ų22894.3 Ų94.386%0.8647%0.471SS*.THydrogen-bonded Turntrans49.532.2-177.5-58.4-175.7-173.5173.13114C240 Y241 Y242C240-R244 WeakPolarHBondContact O-CA 3.49Å; C240-R244 PolarHBondContact O-N 2.83Å; Y241-R244 WeakPolarHBondContact O-CG 3.41Å; Y242-R244 PolarHBondContact O-N 2.87Å
245R87.3Confident83.7Confident108 Ų10893.9 Ų93.941%0.40846%0.464SS..EExtended strand (participates in β ladder)trans-140.8162179.864.9-177.1172.4130.2-15.3111.2C240 H243 V247 E275C240-R245 PolarHBondContact N-O 2.85Å; H243-R245 HydrophobicContact CB-CG 3.86Å; H243-R245 PolarHBondContact O-N 3.28Å; H243-R245 VanDerWaalsContact O-N 3.08Å; R245-V247 HydrophobicContact CG-CG1 4.27Å; R245-E275 IonicContact NH2-OE1 3.56Å; R245-E275 PolarHBondContact NH2-OE1 3.45Å
246F88.1Confident85.9Confident151 Ų15189 Ų8966%0.66245%0.446SS*.EExtended strand (participates in β ladder)trans-67.7132.8165.6-73.2-86.2000109.2A238 V239A238-F246 CarbonylContact O-C 3.54Å; A238-F246 WeakPolarHBondContact O-CA 3.46Å; V239-F246 HydrophobicContact CG2-CD1 3.77Å; V239-F246 HydrophobicContact CG2-CE1 3.34Å; V239-F246 HydrophobicContact CG2-CE2 4.18Å; V239-F246 HydrophobicContact CG2-CG 4.35Å; V239-F246 HydrophobicContact CG2-CZ 3.58Å
247V87.3Confident87.6Confident9 Ų983.6 Ų83.66%0.05542%0.423CS..EExtended strand (participates in β ladder)trans-118.5139.1177.1-60.90000108.6G237 A238 C240 R245 V249 A272 V274G237-V247 WeakPolarHBondContact CA-O 3.29Å; A238-V247 PolarHBondContact N-O 2.93Å; A238-V247 WeakPolarHBondContact O-CG2 3.05Å; A238-V247 PolarHBondContact O-N 3.47Å; C240-V247 HydrophobicContact CB-CB 4.34Å; C240-V247 HydrophobicContact CB-CG1 3.54Å; C240-V247 HydrophobicContact CB-CG2 3.78Å; R245-V247 HydrophobicContact CG-CG1 4.27Å; V247-V249 PolarHBondContact O-N 3.32Å; V247-A272 HydrophobicContact CB-CB 4.36Å; V247-A272 HydrophobicContact CG2-CB 3.84Å; V247-V274 HydrophobicContact CB-CG1 4.05Å; V247-V274 HydrophobicContact CG1-CG1 3.66Å; V247-V274 HydrophobicContact CG2-CG1 4.38Å
248T90.9Very high88.9Confident51 Ų5188.4 Ų88.431%0.31344%0.435SS..EExtended strand (participates in β ladder)trans-68.8120.1174.4-51.60000108.6A272 N273T248-A272 CarbonylContact O-C 3.6Å; T248-A272 WeakPolarHBondContact O-CA 3.45Å; T248-A272 WeakPolarHBondContact O-CB 3.47Å; T248-N273 PolarHBondContact O-N 3.36Å
249V90.3Very high89.3Confident39 Ų3988.7 Ų88.724%0.23643%0.429CS..EExtended strand (participates in β ladder)trans-95.3129.4176.8176.40000109.2A238 V247 T270 A272A238-V249 HydrophobicContact CB-CG2 3.47Å; A238-V249 VanDerWaalsContact CB-CG2 3.47Å; V247-V249 PolarHBondContact O-N 3.32Å; V249-T270 HydrophobicContact CB-CG2 4.34Å; V249-T270 HydrophobicContact CG1-CG2 3.46Å; V249-T270 VanDerWaalsContact CG1-CG2 3.46Å; V249-T270 HydrophobicContact CG2-CG2 3.94Å; V249-A272 HydrophobicContact CG2-CB 4.25Å
250H91.1Very high89.2Confident107 Ų10793.4 Ų93.450%0.49545%0.451SS..EExtended strand (participates in β ladder)trans-99.9-4179-62.2-72.5000113.1V271H250-V271 HydrophobicContact CB-CB 4.48Å; H250-V271 HydrophobicContact CB-CG1 4.2Å; H250-V271 PolarHBondContact N-O 2.87Å
251G91Very high89.2Confident36 Ų3698.4 Ų98.437%0.37148%0.481SS..EExtended strand (participates in β ladder)trans132.6-150.1177.700000111.8V271G251-V271 PolarHBondContact O-N 3.35Å
252S92.3Very high89.3Confident87 Ų8789.8 Ų89.861%0.60845%0.449SS*.EExtended strand (participates in β ladder)trans-134.1143.9179.462.70000111.8F269S252-F269 CarbonylContact C-O 3.47Å; S252-F269 WeakPolarHBondContact CA-O 2.94Å; S252-F269 WeakPolarHBondContact CB-O 3.36Å
253K92.3Very high89.5Confident127 Ų12787.1 Ų87.155%0.55245%0.45SS*.EExtended strand (participates in β ladder)trans-133.2130.9178-170.1171.7-175.3175.90110.7L255 F269 V271K253-L255 HydrophobicContact CD-CD2 4.1Å; K253-L255 HydrophobicContact CG-CD2 4.1Å; K253-L255 HydrophobicContact CG-CG 4.4Å; K253-F269 PolarHBondContact N-O 3.2Å; K253-F269 PolarHBondContact O-N 2.99Å; K253-V271 HydrophobicContact CB-CG2 3.71Å
254T95Very high89.9Confident70 Ų7089.3 Ų89.343%0.42947%0.467SS..EExtended strand (participates in β ladder)trans-82.7123.4174.2-52.10000110.4K266 W267 T268T254-K266 HydrophobicContact CG2-CD 4.16Å; T254-K266 HydrophobicContact CG2-CG 3.7Å; T254-W267 CarbonylContact C-O 3.6Å; T254-W267 VanDerWaalsContact CA-O 3.26Å; T254-W267 WeakPolarHBondContact CA-O 3.25Å; T254-T268 PolarHBondContact OG1-OG1 3.12Å
255L92.9Very high90.1Very high83 Ų8378.6 Ų78.644%0.43543%0.427SS..EExtended strand (participates in β ladder)trans-127158177.8-59.1175.1000109.9K253 K266 W267 F269K253-L255 HydrophobicContact CD-CD2 4.1Å; K253-L255 HydrophobicContact CG-CD2 4.1Å; K253-L255 HydrophobicContact CG-CG 4.4Å; L255-K266 WeakPolarHBondContact O-CA 3.38Å; L255-W267 PolarHBondContact N-O 2.8Å; L255-W267 PolarHBondContact O-N 3.38Å; L255-F269 HydrophobicContact CB-CD2 3.89Å; L255-F269 HydrophobicContact CB-CE2 3.92Å; L255-F269 HydrophobicContact CD1-CD2 4.09Å; L255-F269 HydrophobicContact CG-CD2 4.18Å
256T94.6Very high90.4Very high66 Ų6680.3 Ų80.341%0.40544%0.437SS..EExtended strand (participates in β ladder)trans-106.3120.1171-550000108.3P264T256-P264 HydrophobicContact CG2-CB 3.48Å; T256-P264 VanDerWaalsContact CG2-CB 3.48Å
257V90.9Very high90.8Very high31 Ų3175.4 Ų75.419%0.18842%0.415CS..EExtended strand (participates in β ladder)trans-87.8121173.8-175.80000107.8F259 P264 A265 F269 F283V257-F259 HydrophobicContact CB-CE2 4.42Å; V257-F259 HydrophobicContact CB-CZ 4.29Å; V257-F259 HydrophobicContact CG1-CE1 3.89Å; V257-F259 HydrophobicContact CG1-CE2 4.14Å; V257-F259 HydrophobicContact CG1-CZ 3.69Å; V257-P264 CarbonylContact O-C 3.57Å; V257-P264 WeakPolarHBondContact O-CA 3.26Å; V257-A265 PolarHBondContact N-O 3.05Å; V257-A265 PolarHBondContact O-N 3.41Å; V257-F269 HydrophobicContact CG2-CE2 4.07Å; V257-F269 HydrophobicContact CG2-CZ 3.72Å; V257-F283 HydrophobicContact CB-CE2 4.41Å; V257-F283 HydrophobicContact CB-CZ 3.9Å; V257-F283 HydrophobicContact CG1-CZ 4.31Å; V257-F283 HydrophobicContact CG2-CE2 3.93Å; V257-F283 HydrophobicContact CG2-CZ 3.77Å
258H91.3Very high91.2Very high139 Ų13978.6 Ų78.664%0.64443%0.434SS*.  trans-96.2138175.6-67.6-92.2000109.3
259F86.6Confident91.3Very high49 Ų4978 Ų7822%0.21543%0.427CS..  trans-120.8155.2174.8-53.6-83.6000108.6V257 V261 L262 A265 F283 L289 V298V257-F259 HydrophobicContact CB-CE2 4.42Å; V257-F259 HydrophobicContact CB-CZ 4.29Å; V257-F259 HydrophobicContact CG1-CE1 3.89Å; V257-F259 HydrophobicContact CG1-CE2 4.14Å; V257-F259 HydrophobicContact CG1-CZ 3.69Å; F259-V261 VanDerWaalsContact C-N 3.31Å; F259-V261 PolarHBondContact O-N 3.4Å; F259-L262 HydrophobicContact CB-CB 3.79Å; F259-L262 HydrophobicContact CB-CG 4.38Å; F259-L262 HydrophobicContact CD2-CB 3.82Å; F259-L262 HydrophobicContact CD2-CD1 4.37Å; F259-L262 HydrophobicContact CG-CB 4Å; F259-L262 HydrophobicContact CG-CD1 4.24Å; F259-A265 HydrophobicContact CE2-CB 3.71Å; F259-A265 HydrophobicContact CZ-CB 4.39Å; F259-F283 HydrophobicContact CZ-CE1 4Å; F259-F283 AromaticContact CZ-CZ 3.95Å; F259-F283 HydrophobicContact CZ-CZ 3.95Å; F259-L289 HydrophobicContact CE1-CD1 4.37Å; F259-L289 HydrophobicContact CE2-CD1 4.49Å; F259-L289 HydrophobicContact CZ-CD1 3.77Å; F259-V298 HydrophobicContact CE1-CG1 4.41Å
260D82.6Confident91.3Very high172 Ų17280.9 Ų80.992%0.9245%0.445SS*.SBendtrans-67-33.4-179.9-60-33.9000112.8
261V86Confident91.4Very high123 Ų12378.8 Ų78.875%0.74544%0.44SS*.SBendtrans-127.45.2-170.6-65.30000114.2F259F259-V261 VanDerWaalsContact C-N 3.31Å; F259-V261 PolarHBondContact O-N 3.4Å
262L88.5Confident91.4Very high28 Ų2878.4 Ų78.415%0.14743%0.433CS..SBendtrans-124.3153.2179.1-59.3174000111.1F259 L289 V298 Q300F259-L262 HydrophobicContact CB-CB 3.79Å; F259-L262 HydrophobicContact CB-CG 4.38Å; F259-L262 HydrophobicContact CD2-CB 3.82Å; F259-L262 HydrophobicContact CD2-CD1 4.37Å; F259-L262 HydrophobicContact CG-CB 4Å; F259-L262 HydrophobicContact CG-CD1 4.24Å; L262-L289 HydrophobicContact CD1-CD2 3.68Å; L262-V298 HydrophobicContact CD1-CG1 4.17Å; L262-Q300 HydrophobicContact CD2-CB 4.04Å
263P88.6Confident91.1Very high91 Ų9179.1 Ų79.159%0.59143%0.43SS*.  trans-55.1147171.7-24.133.9000112A265P263-A265 PolarHBondContact O-N 2.98Å
264P92.3Very high91Very high80 Ų8075 Ų7552%0.51942%0.416SS..  trans-59.4132.3176.4-19.529.9000111.5T256 V257T256-P264 HydrophobicContact CG2-CB 3.48Å; T256-P264 VanDerWaalsContact CG2-CB 3.48Å; V257-P264 CarbonylContact O-C 3.57Å; V257-P264 WeakPolarHBondContact O-CA 3.26Å
265A92.7Very high90.5Very high4 Ų479.4 Ų79.43%0.03343%0.431CS..EExtended strand (participates in β ladder)trans-106.7113.8-177.300000110.9V257 F259 P263 F283V257-A265 PolarHBondContact N-O 3.05Å; V257-A265 PolarHBondContact O-N 3.41Å; F259-A265 HydrophobicContact CE2-CB 3.71Å; F259-A265 HydrophobicContact CZ-CB 4.39Å; P263-A265 PolarHBondContact O-N 2.98Å; A265-F283 HydrophobicContact CB-CE2 3.88Å; A265-F283 HydrophobicContact CB-CZ 3.66Å
266K93.9Very high90.3Very high143 Ų14378.7 Ų78.762%0.62243%0.43SS*.EExtended strand (participates in β ladder)trans-84.6135.2176.5-166.5172.7179.31770110.7T254 L255 H287T254-K266 HydrophobicContact CG2-CD 4.16Å; T254-K266 HydrophobicContact CG2-CG 3.7Å; L255-K266 WeakPolarHBondContact O-CA 3.38Å; K266-H287 PolarHBondContact O-NE2 3.28Å
267W96.1Very high90Very high49 Ų4979.9 Ų79.919%0.18645%0.447CS..EExtended strand (participates in β ladder)trans-153.3150.1179.5-168.2-107.3000112.9T254 L255 F269 D282 F283 H286 H287T254-W267 CarbonylContact C-O 3.6Å; T254-W267 VanDerWaalsContact CA-O 3.26Å; T254-W267 WeakPolarHBondContact CA-O 3.25Å; L255-W267 PolarHBondContact N-O 2.8Å; L255-W267 PolarHBondContact O-N 3.38Å; W267-F269 HydrophobicContact CB-CD2 4.31Å; W267-F269 HydrophobicContact CB-CE2 3.68Å; W267-F269 HydrophobicContact CB-CZ 3.82Å; W267-F269 AromaticContact CD1-CD1 3.77Å; W267-F269 AromaticContact CD1-CE1 3.66Å; W267-F269 AromaticContact CD1-CG 4Å; W267-F269 AromaticContact CD1-CZ 3.79Å; W267-F269 HydrophobicContact CG-CE1 4.42Å; W267-F269 HydrophobicContact CG-CE2 4.27Å; W267-F269 HydrophobicContact CG-CZ 4.14Å; W267-F269 WeakPolarHBondContact O-CD2 3.44Å; W267-D282 HydrophobicContact CZ2-CB 4.01Å; W267-F283 HydrophobicContact CB-CD2 3.49Å; W267-F283 VanDerWaalsContact CB-CD2 3.49Å; W267-F283 HydrophobicContact CB-CE2 3.74Å; W267-F283 AromaticContact CD1-CD2 3.96Å; W267-F283 HydrophobicContact CD2-CB 4.28Å; W267-F283 AromaticContact CD2-CD2 3.83Å; W267-F283 HydrophobicContact CD2-CD2 3.83Å; W267-F283 HydrophobicContact CE3-CD2 4.31Å; W267-F283 HydrophobicContact CG-CB 4.41Å; W267-F283 AromaticContact CG-CD2 3.49Å; W267-F283 HydrophobicContact CG-CD2 3.49Å; W267-F283 VanDerWaalsContact CG-CD2 3.49Å; W267-F283 HydrophobicContact CG-CE2 4.25Å; W267-F283 HydrophobicContact CG-CG 4.42Å; W267-H286 HydrophobicContact CE3-CB 4.34Å; W267-H286 HydrophobicContact CH2-CB 3.73Å; W267-H286 AromaticContact CH2-CG 3.96Å; W267-H286 HydrophobicContact CZ3-CB 3.45Å; W267-H286 VanDerWaalsContact CZ3-CB 3.45Å; W267-H286 AromaticContact CZ3-CD2 3.56Å; W267-H286 AromaticContact CZ3-CG 3.28Å; W267-H286 AromaticContact CZ3-ND1 3.64Å; W267-H287 AromaticContact CE3-NE2 3.98Å
268T94.4Very high89.9Confident75 Ų7582 Ų8246%0.4646%0.456SS..EExtended strand (participates in β ladder)trans-95.8103.7174.4-61.70000109.5T254T254-T268 PolarHBondContact OG1-OG1 3.12Å
269F93.4Very high89.8Confident39 Ų3979.5 Ų79.517%0.17145%0.447CS..EExtended strand (participates in β ladder)trans-86.7148.5-179.9-64.9-85.3000111.3S252 K253 L255 V257 W267 F283S252-F269 CarbonylContact C-O 3.47Å; S252-F269 WeakPolarHBondContact CA-O 2.94Å; S252-F269 WeakPolarHBondContact CB-O 3.36Å; K253-F269 PolarHBondContact N-O 3.2Å; K253-F269 PolarHBondContact O-N 2.99Å; L255-F269 HydrophobicContact CB-CD2 3.89Å; L255-F269 HydrophobicContact CB-CE2 3.92Å; L255-F269 HydrophobicContact CD1-CD2 4.09Å; L255-F269 HydrophobicContact CG-CD2 4.18Å; V257-F269 HydrophobicContact CG2-CE2 4.07Å; V257-F269 HydrophobicContact CG2-CZ 3.72Å; W267-F269 HydrophobicContact CB-CD2 4.31Å; W267-F269 HydrophobicContact CB-CE2 3.68Å; W267-F269 HydrophobicContact CB-CZ 3.82Å; W267-F269 AromaticContact CD1-CD1 3.77Å; W267-F269 AromaticContact CD1-CE1 3.66Å; W267-F269 AromaticContact CD1-CG 4Å; W267-F269 AromaticContact CD1-CZ 3.79Å; W267-F269 HydrophobicContact CG-CE1 4.42Å; W267-F269 HydrophobicContact CG-CE2 4.27Å; W267-F269 HydrophobicContact CG-CZ 4.14Å; W267-F269 WeakPolarHBondContact O-CD2 3.44Å; F269-F283 HydrophobicContact CE1-CD2 4.47Å; F269-F283 HydrophobicContact CZ-CD2 4.08Å; F269-F283 HydrophobicContact CZ-CE2 4.18Å
270T91.4Very high89.9Confident99 Ų9978.4 Ų78.461%0.60745%0.449SS*.EExtended strand (participates in β ladder)trans-79127.2167.4-59.10000108.8V249V249-T270 HydrophobicContact CB-CG2 4.34Å; V249-T270 HydrophobicContact CG1-CG2 3.46Å; V249-T270 VanDerWaalsContact CG1-CG2 3.46Å; V249-T270 HydrophobicContact CG2-CG2 3.94Å
271V91.9Very high90.2Very high64 Ų6474 Ų7439%0.38844%0.437SS..EExtended strand (participates in β ladder)trans-89.6113.8175.4-176.70000107.2H250 G251 K253H250-V271 HydrophobicContact CB-CB 4.48Å; H250-V271 HydrophobicContact CB-CG1 4.2Å; H250-V271 PolarHBondContact N-O 2.87Å; G251-V271 PolarHBondContact O-N 3.35Å; K253-V271 HydrophobicContact CB-CG2 3.71Å
272A90.9Very high90.5Very high28 Ų2872.5 Ų72.523%0.23142%0.424CS..EExtended strand (participates in β ladder)trans-135.6152.6-17900000110.9V247 T248 V249 V274V247-A272 HydrophobicContact CB-CB 4.36Å; V247-A272 HydrophobicContact CG2-CB 3.84Å; T248-A272 CarbonylContact O-C 3.6Å; T248-A272 WeakPolarHBondContact O-CA 3.45Å; T248-A272 WeakPolarHBondContact O-CB 3.47Å; V249-A272 HydrophobicContact CG2-CB 4.25Å; A272-V274 HydrophobicContact CB-CG1 4.33Å; A272-V274 PolarHBondContact O-N 3.27Å
273N87.7Confident90.7Very high102 Ų10271.2 Ų71.255%0.54542%0.418SS..  trans-77.3100.8173.3-172.97.1000109.9T248T248-N273 PolarHBondContact O-N 3.36Å
274V88.6Confident90.9Very high41 Ų4169.3 Ų69.325%0.24840%0.402CS..  trans-137.1149.9-178.5-68.20000110.6V247 A272V247-V274 HydrophobicContact CB-CG1 4.05Å; V247-V274 HydrophobicContact CG1-CG1 3.66Å; V247-V274 HydrophobicContact CG2-CG1 4.38Å; A272-V274 HydrophobicContact CB-CG1 4.33Å; A272-V274 PolarHBondContact O-N 3.27Å
275E86Confident90.8Very high161 Ų16172 Ų7275%0.75241%0.407SS*.SBendtrans-69.3-41.4175.9-75.7159.2-137.800111.8R245R245-E275 IonicContact NH2-OE1 3.56Å; R245-E275 PolarHBondContact NH2-OE1 3.45Å
276T88Confident90.8Very high68 Ų6877.3 Ų77.342%0.41743%0.431SS..SBendtrans-121.3118.2-179.4-54.80000110H243 I278H243-T276 PolarHBondContact CE1-O 2.93Å; H243-T276 PolarHBondContact NE2-N 2.99Å; H243-T276 PolarHBondContact NE2-O 3.17Å; T276-I278 HydrophobicContact CG2-CG2 4.43Å
277A87.9Confident90.8Very high91 Ų9172.2 Ų72.275%0.75241%0.41SS*.  trans-69.6137.2171.100000110.1
278I89.3Confident90.6Very high76 Ų7671.6 Ų71.639%0.3941%0.413SS..  trans-131151.1-176.961.8179.5000110.6Y242 T276Y242-I278 HydrophobicContact CD1-CG2 4.01Å; Y242-I278 HydrophobicContact CD2-CG2 4.33Å; Y242-I278 HydrophobicContact CE1-CG2 4.28Å; Y242-I278 HydrophobicContact CG-CD1 4.04Å; Y242-I278 HydrophobicContact CG-CG2 4.03Å; T276-I278 HydrophobicContact CG2-CG2 4.43Å
279I89.1Confident90.5Very high86 Ų8669 Ų6944%0.44140%0.395SS..  trans-89.5130168.1-64.7-176.8000108.3F283 I284I279-F283 HydrophobicContact CD1-CE1 4.48Å; I279-F283 HydrophobicContact CG2-CB 3.86Å; I279-F283 HydrophobicContact CG2-CD1 3.27Å; I279-F283 HydrophobicContact CG2-CE1 4.03Å; I279-F283 HydrophobicContact CG2-CG 3.79Å; I279-I284 HydrophobicContact CG2-CG1 4.11Å
280G88.2Confident90.4Very high26 Ų2669.7 Ų69.727%0.26840%0.403SS..  trans-76.3154.1178.600000113D282 F283 I284G280-D282 WeakPolarHBondContact CA-OD1 3.26Å; G280-D282 PolarHBondContact O-N 2.91Å; G280-F283 WeakPolarHBondContact O-CB 3.45Å; G280-F283 PolarHBondContact O-N 3.28Å; G280-I284 PolarHBondContact O-N 3.05Å
281A89.9Confident90.4Very high79 Ų7968.1 Ų68.165%0.65339%0.393SS*.Hα-helixtrans-63.5-23.3175.700000112.8H285A281-H285 WeakPolarHBondContact O-CB 3.44Å; A281-H285 PolarHBondContact O-N 2.95Å
282D90.7Very high90.3Very high92 Ų9267.6 Ų67.649%0.49239%0.388SS..Hα-helixtrans-63.7-44172.756.8-21.1000112.5W267 G280 H286W267-D282 HydrophobicContact CZ2-CB 4.01Å; G280-D282 WeakPolarHBondContact CA-OD1 3.26Å; G280-D282 PolarHBondContact O-N 2.91Å; D282-H286 VanDerWaalsContact O-CB 3.23Å; D282-H286 WeakPolarHBondContact O-CB 3.44Å; D282-H286 PolarHBondContact O-N 3.04Å
283F93.6Very high90.3Very high2 Ų273.3 Ų73.31%0.00941%0.414CS..Hα-helixtrans-62.1-48.4173.2172.9-91.2000111.4V257 F259 A265 W267 F269 I279 G280 H285 H286 H287 L289V257-F283 HydrophobicContact CB-CE2 4.41Å; V257-F283 HydrophobicContact CB-CZ 3.9Å; V257-F283 HydrophobicContact CG1-CZ 4.31Å; V257-F283 HydrophobicContact CG2-CE2 3.93Å; V257-F283 HydrophobicContact CG2-CZ 3.77Å; F259-F283 HydrophobicContact CZ-CE1 4Å; F259-F283 AromaticContact CZ-CZ 3.95Å; F259-F283 HydrophobicContact CZ-CZ 3.95Å; A265-F283 HydrophobicContact CB-CE2 3.88Å; A265-F283 HydrophobicContact CB-CZ 3.66Å; W267-F283 HydrophobicContact CB-CD2 3.49Å; W267-F283 VanDerWaalsContact CB-CD2 3.49Å; W267-F283 HydrophobicContact CB-CE2 3.74Å; W267-F283 AromaticContact CD1-CD2 3.96Å; W267-F283 HydrophobicContact CD2-CB 4.28Å; W267-F283 AromaticContact CD2-CD2 3.83Å; W267-F283 HydrophobicContact CD2-CD2 3.83Å; W267-F283 HydrophobicContact CE3-CD2 4.31Å; W267-F283 HydrophobicContact CG-CB 4.41Å; W267-F283 AromaticContact CG-CD2 3.49Å; W267-F283 HydrophobicContact CG-CD2 3.49Å; W267-F283 VanDerWaalsContact CG-CD2 3.49Å; W267-F283 HydrophobicContact CG-CE2 4.25Å; W267-F283 HydrophobicContact CG-CG 4.42Å; F269-F283 HydrophobicContact CE1-CD2 4.47Å; F269-F283 HydrophobicContact CZ-CD2 4.08Å; F269-F283 HydrophobicContact CZ-CE2 4.18Å; I279-F283 HydrophobicContact CD1-CE1 4.48Å; I279-F283 HydrophobicContact CG2-CB 3.86Å; I279-F283 HydrophobicContact CG2-CD1 3.27Å; I279-F283 HydrophobicContact CG2-CE1 4.03Å; I279-F283 HydrophobicContact CG2-CG 3.79Å; G280-F283 WeakPolarHBondContact O-CB 3.45Å; G280-F283 PolarHBondContact O-N 3.28Å; F283-H285 VanDerWaalsContact C-N 3.34Å; F283-H285 PolarHBondContact O-N 3.41Å; F283-H286 PolarHBondContact O-N 3.36Å; F283-H287 AromaticContact CD2-CD2 3.58Å; F283-H287 AromaticContact CE2-CD2 3.43Å; F283-H287 VanDerWaalsContact CE2-CD2 3.43Å; F283-H287 WeakPolarHBondContact CE2-CD2 3.45Å; F283-H287 AromaticContact CE2-NE2 3.73Å; F283-H287 AromaticContact CZ-CD2 3.9Å; F283-H287 PolarHBondContact O-CD2 2.95Å; F283-H287 PolarHBondContact O-N 3.41Å; F283-L289 HydrophobicContact CD1-CD1 4.15Å; F283-L289 HydrophobicContact CE1-CD1 3.57Å; F283-L289 HydrophobicContact CZ-CD1 4.36Å
284I92.3Very high90.4Very high51 Ų5172.8 Ų72.826%0.26242%0.424SS..Hα-helixtrans-59.1-47.5179.8-63.9172.9000109.9I279 G280 C288 L289 V291I279-I284 HydrophobicContact CG2-CG1 4.11Å; G280-I284 PolarHBondContact O-N 3.05Å; I284-C288 PolarHBondContact O-N 3.38Å; I284-C288 VanDerWaalsContact O-N 3.16Å; I284-L289 HydrophobicContact CG2-CB 4.07Å; I284-L289 VanDerWaalsContact CG2-O 3.23Å; I284-L289 WeakPolarHBondContact CG2-O 3.4Å; I284-L289 PolarHBondContact O-N 2.99Å; I284-V291 HydrophobicContact CD1-CG2 4.06Å; I284-V291 HydrophobicContact CG2-CG2 4.41Å
285H91.5Very high90.5Very high135 Ų13575.7 Ų75.763%0.62544%0.438SS*.Hα-helixtrans-64.9-43.1178.1174.3-92.1000112.3A281 F283 C288A281-H285 WeakPolarHBondContact O-CB 3.44Å; A281-H285 PolarHBondContact O-N 2.95Å; F283-H285 VanDerWaalsContact C-N 3.34Å; F283-H285 PolarHBondContact O-N 3.41Å; H285-C288 PolarHBondContact O-N 3.26Å
286H93Very high90.6Very high117 Ų11773.3 Ų73.354%0.54244%0.439SS..Hα-helixtrans-63.2-45.7-177.9-175.992.3000112.4W267 D282 F283 C288W267-H286 HydrophobicContact CE3-CB 4.34Å; W267-H286 HydrophobicContact CH2-CB 3.73Å; W267-H286 AromaticContact CH2-CG 3.96Å; W267-H286 HydrophobicContact CZ3-CB 3.45Å; W267-H286 VanDerWaalsContact CZ3-CB 3.45Å; W267-H286 AromaticContact CZ3-CD2 3.56Å; W267-H286 AromaticContact CZ3-CG 3.28Å; W267-H286 AromaticContact CZ3-ND1 3.64Å; D282-H286 VanDerWaalsContact O-CB 3.23Å; D282-H286 WeakPolarHBondContact O-CB 3.44Å; D282-H286 PolarHBondContact O-N 3.04Å; F283-H286 PolarHBondContact O-N 3.36Å; H286-C288 PolarHBondContact O-N 3.23Å
287H92.2Very high90.6Very high35 Ų3578.1 Ų78.116%0.16245%0.45CS..THydrogen-bonded Turntrans-84.26.4179.1-69.1-71.3000113.2K266 W267 F283 L289 Q300K266-H287 PolarHBondContact O-NE2 3.28Å; W267-H287 AromaticContact CE3-NE2 3.98Å; F283-H287 AromaticContact CD2-CD2 3.58Å; F283-H287 AromaticContact CE2-CD2 3.43Å; F283-H287 VanDerWaalsContact CE2-CD2 3.43Å; F283-H287 WeakPolarHBondContact CE2-CD2 3.45Å; F283-H287 AromaticContact CE2-NE2 3.73Å; F283-H287 AromaticContact CZ-CD2 3.9Å; F283-H287 PolarHBondContact O-CD2 2.95Å; F283-H287 PolarHBondContact O-N 3.41Å; H287-L289 VanDerWaalsContact C-N 3.25Å; H287-L289 HydrophobicContact CB-CD1 4.02Å; H287-L289 HydrophobicContact CB-CD2 4.23Å; H287-L289 HydrophobicContact CB-CG 3.77Å; H287-L289 PolarHBondContact O-N 2.96Å; H287-Q300 PolarHBondContact O-NE2 3.24Å
288C92.7Very high90.7Very high37 Ų3776.1 Ų76.125%0.2543%0.428CS..THydrogen-bonded Turntrans52.743.3-179.4-60.30000112.1I284 H285 H286 Q300 S301I284-C288 PolarHBondContact O-N 3.38Å; I284-C288 VanDerWaalsContact O-N 3.16Å; H285-C288 PolarHBondContact O-N 3.26Å; H286-C288 PolarHBondContact O-N 3.23Å; C288-Q300 HydrophobicContact CB-CG 4.49Å; C288-S301 WeakPolarHBondContact O-CB 3.24Å; C288-S301 PolarHBondContact O-N 3.26Å
289L92.4Very high90.8Very high19 Ų1976.9 Ų76.910%0.09943%0.429CS..EExtended strand (participates in β ladder)trans-86.5142.3-178.1-57.4177000110.8F259 L262 F283 I284 H287 V298 F299F259-L289 HydrophobicContact CE1-CD1 4.37Å; F259-L289 HydrophobicContact CE2-CD1 4.49Å; F259-L289 HydrophobicContact CZ-CD1 3.77Å; L262-L289 HydrophobicContact CD1-CD2 3.68Å; F283-L289 HydrophobicContact CD1-CD1 4.15Å; F283-L289 HydrophobicContact CE1-CD1 3.57Å; F283-L289 HydrophobicContact CZ-CD1 4.36Å; I284-L289 HydrophobicContact CG2-CB 4.07Å; I284-L289 VanDerWaalsContact CG2-O 3.23Å; I284-L289 WeakPolarHBondContact CG2-O 3.4Å; I284-L289 PolarHBondContact O-N 2.99Å; H287-L289 VanDerWaalsContact C-N 3.25Å; H287-L289 HydrophobicContact CB-CD1 4.02Å; H287-L289 HydrophobicContact CB-CD2 4.23Å; H287-L289 HydrophobicContact CB-CG 3.77Å; H287-L289 PolarHBondContact O-N 2.96Å; L289-V298 HydrophobicContact CB-CG1 4.08Å; L289-V298 HydrophobicContact CD1-CG1 4.24Å; L289-V298 HydrophobicContact CD2-CG1 4.27Å; L289-V298 HydrophobicContact CG-CG1 4.43Å; L289-F299 CarbonylContact C-O 3.59Å; L289-F299 WeakPolarHBondContact CA-O 3.32Å
290V92Very high90.8Very high55 Ų5577.2 Ų77.233%0.33343%0.429SS..EExtended strand (participates in β ladder)trans-110.1126.5167.2-177.50000107.2V298 F299V290-V298 WeakPolarHBondContact O-CA 3.41Å; V290-F299 HydrophobicContact CB-CD1 4.49Å; V290-F299 HydrophobicContact CB-CD2 4.01Å; V290-F299 HydrophobicContact CB-CE1 4.12Å; V290-F299 HydrophobicContact CB-CE2 3.59Å; V290-F299 HydrophobicContact CB-CG 4.45Å; V290-F299 HydrophobicContact CB-CZ 3.65Å; V290-F299 HydrophobicContact CG1-CE1 3.93Å; V290-F299 HydrophobicContact CG1-CE2 3.86Å; V290-F299 HydrophobicContact CG1-CZ 3.43Å; V290-F299 VanDerWaalsContact CG1-CZ 3.43Å; V290-F299 HydrophobicContact CG2-CD2 4.42Å; V290-F299 HydrophobicContact CG2-CE2 3.93Å; V290-F299 HydrophobicContact CG2-CZ 4.37Å; V290-F299 PolarHBondContact N-O 3.19Å; V290-F299 PolarHBondContact O-N 2.96Å
291V90.8Very high90.6Very high65 Ų6578.5 Ų78.539%0.39443%0.433SS..EExtended strand (participates in β ladder)trans-104.2109.7178.2-176.90000108I284 L293 V298I284-V291 HydrophobicContact CD1-CG2 4.06Å; I284-V291 HydrophobicContact CG2-CG2 4.41Å; V291-L293 HydrophobicContact CG1-CD2 3.77Å; V291-L293 HydrophobicContact CG1-CG 4.28Å; V291-V298 HydrophobicContact CG1-CG2 4.39Å; V291-V298 HydrophobicContact CG2-CG2 4.28Å
292D90.1Very high89.5Confident53 Ų5386.2 Ų86.228%0.28345%0.445SS..EExtended strand (participates in β ladder)trans-91.5101.6171.9-169.1-26.6000109.1A294 D295 S296 R297 F299D292-A294 VanDerWaalsContact C-N 3.33Å; D292-A294 WeakPolarHBondContact OD1-CB 3.4Å; D292-A294 PolarHBondContact OD1-N 2.96Å; D292-D295 PolarHBondContact OD1-N 3.45Å; D292-D295 VanDerWaalsContact OD1-N 3.11Å; D292-S296 CarbonylContact O-C 3.26Å; D292-S296 WeakPolarHBondContact O-CA 3.48Å; D292-S296 PolarHBondContact O-N 2.67Å; D292-R297 HydrophobicContact CB-CB 4.46Å; D292-R297 PolarHBondContact N-O 2.94Å; D292-R297 PolarHBondContact O-N 3.32Å; D292-F299 HydrophobicContact CB-CE1 4.19Å
293L90.1Very high87.9Confident148 Ų14890 Ų9078%0.77546%0.46SS*.THydrogen-bonded Turntrans-74.4-23.8-179.9-63.9175.5000112.8V291V291-L293 HydrophobicContact CG1-CD2 3.77Å; V291-L293 HydrophobicContact CG1-CG 4.28Å
294A90Very high85.7Confident91 Ų9199.1 Ų99.175%0.75249%0.494SS*.THydrogen-bonded Turntrans-72.7-43.3179.800000110.3D292D292-A294 VanDerWaalsContact C-N 3.33Å; D292-A294 WeakPolarHBondContact OD1-CB 3.4Å; D292-A294 PolarHBondContact OD1-N 2.96Å
295D90.6Very high83Confident102 Ų102102.4 Ų102.455%0.54552%0.522SS..THydrogen-bonded Turntrans-94.3-0.2179.8-72.3-26.5000113.7D292 R297D292-D295 PolarHBondContact OD1-N 3.45Å; D292-D295 VanDerWaalsContact OD1-N 3.11Å; D295-R297 VanDerWaalsContact C-N 3.28Å; D295-R297 HydrophobicContact CB-CG 4.26Å; D295-R297 WeakPolarHBondContact O-CG 3.48Å; D295-R297 PolarHBondContact O-N 2.63Å
296S89Confident80.3Confident111 Ų111107.5 Ų107.578%0.77655%0.553SS**THydrogen-bonded Turntrans53.443.7-174.8-59.70000112.8D292D292-S296 CarbonylContact O-C 3.26Å; D292-S296 WeakPolarHBondContact O-CA 3.48Å; D292-S296 PolarHBondContact O-N 2.67Å
297R88.1Confident79.6Confident169 Ų169107 Ų10764%0.63855%0.553SS**EExtended strand (participates in β ladder)trans-122.2149.4-176.3-73.8175.1-175.7-174.10.7111.9D292 D295D292-R297 HydrophobicContact CB-CB 4.46Å; D292-R297 PolarHBondContact N-O 2.94Å; D292-R297 PolarHBondContact O-N 3.32Å; D295-R297 VanDerWaalsContact C-N 3.28Å; D295-R297 HydrophobicContact CB-CG 4.26Å; D295-R297 WeakPolarHBondContact O-CG 3.48Å; D295-R297 PolarHBondContact O-N 2.63Å
298V90.3Very high79Confident50 Ų50110.8 Ų110.830%0.30357%0.574SS.*EExtended strand (participates in β ladder)trans-124.1129.2170.4-176.60000108.1F259 L262 L289 V290 V291F259-V298 HydrophobicContact CE1-CG1 4.41Å; L262-V298 HydrophobicContact CD1-CG1 4.17Å; L289-V298 HydrophobicContact CB-CG1 4.08Å; L289-V298 HydrophobicContact CD1-CG1 4.24Å; L289-V298 HydrophobicContact CD2-CG1 4.27Å; L289-V298 HydrophobicContact CG-CG1 4.43Å; V290-V298 WeakPolarHBondContact O-CA 3.41Å; V291-V298 HydrophobicContact CG1-CG2 4.39Å; V291-V298 HydrophobicContact CG2-CG2 4.28Å
299F91.4Very high78.2Confident92 Ų92114.9 Ų114.940%0.40459%0.592SS.*EExtended strand (participates in β ladder)trans-139.6161.7177.758.8-88.9000110.6L289 V290 D292L289-F299 CarbonylContact C-O 3.59Å; L289-F299 WeakPolarHBondContact CA-O 3.32Å; V290-F299 HydrophobicContact CB-CD1 4.49Å; V290-F299 HydrophobicContact CB-CD2 4.01Å; V290-F299 HydrophobicContact CB-CE1 4.12Å; V290-F299 HydrophobicContact CB-CE2 3.59Å; V290-F299 HydrophobicContact CB-CG 4.45Å; V290-F299 HydrophobicContact CB-CZ 3.65Å; V290-F299 HydrophobicContact CG1-CE1 3.93Å; V290-F299 HydrophobicContact CG1-CE2 3.86Å; V290-F299 HydrophobicContact CG1-CZ 3.43Å; V290-F299 VanDerWaalsContact CG1-CZ 3.43Å; V290-F299 HydrophobicContact CG2-CD2 4.42Å; V290-F299 HydrophobicContact CG2-CE2 3.93Å; V290-F299 HydrophobicContact CG2-CZ 4.37Å; V290-F299 PolarHBondContact N-O 3.19Å; V290-F299 PolarHBondContact O-N 2.96Å; D292-F299 HydrophobicContact CB-CE1 4.19Å
300Q88.3Confident77.4Confident93 Ų93120.5 Ų120.544%0.43562%0.621SS.*EExtended strand (participates in β ladder)trans-82.9134.1177.7-158.7157.729.300110.2L262 H287 C288 R302L262-Q300 HydrophobicContact CD2-CB 4.04Å; H287-Q300 PolarHBondContact O-NE2 3.24Å; C288-Q300 HydrophobicContact CB-CG 4.49Å; Q300-R302 PolarHBondContact O-N 3.09Å
301S83.4Confident76.4Confident52 Ų52124.6 Ų124.636%0.36464%0.639SS.*  trans-58.2130.5175.9-177.10000109.7C288 E303C288-S301 WeakPolarHBondContact O-CB 3.24Å; C288-S301 PolarHBondContact O-N 3.26Å; S301-E303 PolarHBondContact O-N 3.38Å
302R68Low75.5Confident241 Ų241128.6 Ų128.691%0.90966%0.655SS**SBendtrans-76.9-1.1-177.7-75.8-176.5168.2-179.4-3.1113.9Q300Q300-R302 PolarHBondContact O-N 3.09Å
303E56.6Low74.4Confident172 Ų172134 Ų13480%0.80468%0.681SS**  trans-113.376-173.6-69.1-174.5166.800112.6S301S301-E303 PolarHBondContact O-N 3.38Å
304R47Very low73.2Confident193 Ų193132.9 Ų132.973%0.72867%0.674SS**  trans-153.764.5148-78.5-157.6176.3157.41.9110.1
305S34.5Very low71.8Confident120 Ų120136.4 Ų136.484%0.83967%0.668SS**  trans-96.898.5151-53.70000105.9
306L35Very low70.1Confident242 Ų242139.5 Ų139.5100%1.26768%0.679SS**  trans-84.90159-80.5170.4000108.3

Retrieved 306 of 306 residues in 189.2 ms (Link to these results)

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