A0A061CMV3_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A061CMV3, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 273 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
1S94.4Very high98.3Very high94 Ų9439.4 Ų39.466%0.65721%0.21SC*.  0153.60-57.60000107.6L102S1-L102 VanDerWaalsContact CA-O 3.25Å; S1-L102 WeakPolarHBondContact CA-O 3.3Å; S1-L102 VanDerWaalsContact CB-O 3.26Å; S1-L102 WeakPolarHBondContact CB-O 3.43Å
2H98.3Very high98.2Very high46 Ų4637.5 Ų37.521%0.21320%0.203CC..EExtended strand (participates in β ladder)trans-140.3159-178.9-67.6-75.7000110.4D28 D101 L102 L167 L171H2-D28 VanDerWaalsContact CA-OD1 3.23Å; H2-D28 WeakPolarHBondContact CA-OD1 3.44Å; H2-D28 IonicContact CE1-OD2 3.91Å; H2-D28 IonicContact CG-OD2 3.12Å; H2-D28 IonicContact ND1-OD1 3.61Å; H2-D28 IonicContact ND1-OD2 2.78Å; H2-D28 PolarHBondContact ND1-OD2 2.77Å; H2-D101 CarbonylContact O-C 3.58Å; H2-D101 WeakPolarHBondContact O-CA 3.4Å; H2-L102 PolarHBondContact N-O 2.92Å; H2-L102 VanDerWaalsContact N-O 3.12Å; H2-L102 PolarHBondContact O-N 3.2Å; H2-L167 HydrophobicContact CB-CD1 4.43Å; H2-L171 HydrophobicContact CB-CD1 3.73Å; H2-L171 HydrophobicContact CB-CD2 3.97Å; H2-L171 HydrophobicContact CB-CG 4.42Å; H2-L171 VanDerWaalsContact CG-CD2 3.47Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.32Å
3S98.6Very high98Very high26 Ų2639.7 Ų39.718%0.18221%0.206CC..EExtended strand (participates in β ladder)trans-134.6150.2178.465.20000111.5V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.57Å; S3-V27 VanDerWaalsContact O-CA 3.29Å; S3-V27 WeakPolarHBondContact O-CA 3.45Å; S3-D28 PolarHBondContact N-OD1 3.02Å; S3-D28 PolarHBondContact O-N 3.5Å; S3-D28 PolarHBondContact OG-OD1 3.08Å; S3-C100 WeakPolarHBondContact CA-O 3.49Å; S3-D101 VanDerWaalsContact CB-OD1 3.23Å; S3-D101 WeakPolarHBondContact CB-OD1 3.34Å
4M98.8Very high97.5Very high1 Ų141.1 Ų41.11%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-124.2124.2167.3-176.1171.464.700108Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.45Å; M4-Y6 HydrophobicContact CG-CE2 4.43Å; M4-Y6 HydrophobicContact SD-CE2 4.35Å; M4-Y26 CarbonylContact C-O 3.53Å; M4-Y26 WeakPolarHBondContact CA-O 3.49Å; M4-V27 HydrophobicContact CG-CG2 4.35Å; M4-F32 HydrophobicContact CG-CE1 4.4Å; M4-F32 HydrophobicContact SD-CZ 4.32Å; M4-G99 CarbonylContact O-C 3.5Å; M4-G99 WeakPolarHBondContact O-CA 3.25Å; M4-C100 PolarHBondContact N-O 3.24Å; M4-C100 PolarHBondContact O-N 3.02Å; M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 WeakPolarHBondContact CE-O 3.37Å; M4-C163 WeakPolarHBondContact CE-SG 3.49Å; M4-W166 HydrophobicContact CE-CB 4.11Å; M4-W166 HydrophobicContact SD-CB 4.44Å; M4-L167 HydrophobicContact CB-CB 4.01Å; M4-L167 HydrophobicContact CB-CD1 4.02Å; M4-L167 HydrophobicContact CB-CD2 3.93Å; M4-L167 HydrophobicContact CB-CG 4.2Å; M4-L167 HydrophobicContact CE-CB 4.37Å; M4-L167 HydrophobicContact SD-CB 4.4Å; M4-Y170 HydrophobicContact SD-CD2 3.73Å; M4-Y170 HydrophobicContact SD-CE2 3.55Å; M4-Y170 VanDerWaalsContact SD-CE2 3.55Å
5R98.8Very high97.1Very high49 Ų4944.2 Ų44.219%0.18527%0.265CS..EExtended strand (participates in β ladder)trans-131.4139.1-177.3-58.2-61.6-176.881.45.8110.8F7 G25 Y26 M97 Y98 D101 H112R5-F7 HydrophobicContact CB-CD2 4.35Å; R5-F7 HydrophobicContact CB-CE2 3.54Å; R5-F7 HydrophobicContact CB-CZ 3.8Å; R5-F7 HydrophobicContact CG-CZ 4.4Å; R5-G25 CarbonylContact O-C 3.58Å; R5-G25 WeakPolarHBondContact O-CA 3.49Å; R5-Y26 PolarHBondContact N-O 2.83Å; R5-Y26 PolarHBondContact O-N 3.19Å; R5-M97 HydrophobicContact CG-SD 4.47Å; R5-M97 PolarHBondContact NH1-SD 3.46Å; R5-M97 VanDerWaalsContact NH1-SD 3.38Å; R5-Y98 WeakPolarHBondContact CA-O 3.47Å; R5-D101 IonicContact CZ-OD1 2.66Å; R5-D101 IonicContact NE-OD1 2.84Å; R5-D101 PolarHBondContact NE-OD1 3.47Å; R5-D101 IonicContact NH2-OD1 2.95Å; R5-D101 PolarHBondContact NH2-OD1 2.62Å; R5-D101 IonicContact NH2-OD2 3.99Å; R5-D101 PolarHBondContact NH2-OD2 2.86Å; R5-D101 VanDerWaalsContact NH2-OD2 3.16Å; R5-H112 PolarHBondContact NH2-CD2 3.43Å; R5-H112 PolarHBondContact NH2-NE2 2.93Å; R5-H112 VanDerWaalsContact NH2-NE2 3.11Å
6Y98.9Very high96.8Very high11 Ų1154.4 Ų54.44%0.04330%0.297CS..EExtended strand (participates in β ladder)trans-110.9135.1166.2-73-88.2000109.4M4 Y8 V24 F32 V33 F66 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.45Å; M4-Y6 HydrophobicContact CG-CE2 4.43Å; M4-Y6 HydrophobicContact SD-CE2 4.35Å; Y6-Y8 HydrophobicContact CD1-CE1 4.35Å; Y6-Y8 HydrophobicContact CG-CE1 4.45Å; Y6-V24 WeakPolarHBondContact CA-O 3.32Å; Y6-F32 HydrophobicContact CE1-CZ 4.15Å; Y6-F32 AromaticContact CZ-CZ 3.81Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.22Å; Y6-V33 HydrophobicContact CE1-CG2 3.97Å; Y6-F66 HydrophobicContact CD1-CZ 4.36Å; Y6-F66 HydrophobicContact CE1-CZ 4.21Å; Y6-M97 WeakPolarHBondContact O-CA 3.49Å; Y6-Y98 VanDerWaalsContact CB-CE1 3.44Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.48Å; Y6-Y98 AromaticContact CD2-CE2 3.8Å; Y6-Y98 HydrophobicContact CD2-CE2 3.8Å; Y6-Y98 AromaticContact CD2-CZ 3.7Å; Y6-Y98 WeakPolarHBondContact CD2-OH 3.06Å; Y6-Y98 HydrophobicContact CG-CE1 4.21Å; Y6-Y98 HydrophobicContact CG-CE2 4.3Å; Y6-Y98 AromaticContact CG-CZ 3.73Å; Y6-Y98 PolarHBondContact N-O 3.04Å; Y6-Y98 PolarHBondContact O-N 2.98Å; Y6-Y98 VanDerWaalsContact O-N 3.16Å
7F98.9Very high96.4Very high84 Ų8454.5 Ų54.537%0.36831%0.314SS..EExtended strand (participates in β ladder)trans-119.5119.5177.3-57.4-94.3000109R5 A23 V24 Y26 R96 M97R5-F7 HydrophobicContact CB-CD2 4.35Å; R5-F7 HydrophobicContact CB-CE2 3.54Å; R5-F7 HydrophobicContact CB-CZ 3.8Å; R5-F7 HydrophobicContact CG-CZ 4.4Å; F7-A23 WeakPolarHBondContact O-CA 3.45Å; F7-V24 HydrophobicContact CB-CG2 3.85Å; F7-V24 HydrophobicContact CD2-CG2 4.31Å; F7-V24 PolarHBondContact N-O 3.29Å; F7-V24 PolarHBondContact O-N 2.99Å; F7-Y26 AromaticContact CD2-CD2 4Å; F7-Y26 HydrophobicContact CD2-CD2 4Å; F7-Y26 HydrophobicContact CE2-CD2 4.01Å; F7-Y26 HydrophobicContact CE2-CG 4.45Å; F7-R96 WeakPolarHBondContact CA-O 3.47Å; F7-M97 HydrophobicContact CD1-CB 4.04Å; F7-M97 HydrophobicContact CD1-CG 3.67Å; F7-M97 HydrophobicContact CE1-CB 4.18Å; F7-M97 HydrophobicContact CE1-CG 3.38Å; F7-M97 HydrophobicContact CZ-CG 4.06Å
8Y98.8Very high96.2Very high6 Ų656.5 Ų56.52%0.02432%0.32CS..EExtended strand (participates in β ladder)trans-109.5140.1177.4-61.2-5.8000109.4Y6 F21 I22 A23 F66 N69 Y73 Q95 R96 Y98Y6-Y8 HydrophobicContact CD1-CE1 4.35Å; Y6-Y8 HydrophobicContact CG-CE1 4.45Å; Y8-F21 HydrophobicContact CD1-CZ 4.3Å; Y8-F21 HydrophobicContact CD2-CE2 4.1Å; Y8-F21 AromaticContact CD2-CZ 3.86Å; Y8-F21 HydrophobicContact CD2-CZ 3.86Å; Y8-F21 HydrophobicContact CE2-CZ 4.28Å; Y8-F21 HydrophobicContact CG-CE2 4.12Å; Y8-F21 AromaticContact CG-CZ 3.86Å; Y8-F21 HydrophobicContact CG-CZ 3.86Å; Y8-I22 CarbonylContact C-O 3.53Å; Y8-I22 WeakPolarHBondContact CA-O 3.35Å; Y8-A23 HydrophobicContact CD1-CB 3.44Å; Y8-A23 VanDerWaalsContact CD1-CB 3.44Å; Y8-A23 HydrophobicContact CE1-CB 3.63Å; Y8-A23 HydrophobicContact CG-CB 4.35Å; Y8-F66 HydrophobicContact CE1-CD1 4.28Å; Y8-F66 AromaticContact CE1-CE1 3.62Å; Y8-F66 HydrophobicContact CE1-CE1 3.62Å; Y8-F66 AromaticContact CZ-CE1 3.74Å; Y8-F66 WeakPolarHBondContact OH-CE1 3.39Å; Y8-N69 WeakPolarHBondContact CE2-ND2 3.46Å; Y8-N69 PolarHBondContact OH-ND2 3.32Å; Y8-Y73 AromaticContact CD2-CE2 3.71Å; Y8-Y73 HydrophobicContact CD2-CE2 3.71Å; Y8-Y73 AromaticContact CD2-CZ 3.97Å; Y8-Y73 HydrophobicContact CE2-CE2 4.39Å; Y8-Q95 VanDerWaalsContact O-CA 3.28Å; Y8-Q95 WeakPolarHBondContact O-CA 3.11Å; Y8-R96 PolarHBondContact N-O 3.46Å; Y8-R96 PolarHBondContact O-N 2.9Å; Y8-Y98 HydrophobicContact CD2-CE1 4.44Å; Y8-Y98 AromaticContact CE1-CE1 3.84Å; Y8-Y98 HydrophobicContact CE1-CE1 3.84Å; Y8-Y98 AromaticContact CE2-CE1 3.78Å; Y8-Y98 HydrophobicContact CE2-CE1 3.78Å; Y8-Y98 AromaticContact CZ-CE1 3.44Å; Y8-Y98 VanDerWaalsContact CZ-CE1 3.44Å; Y8-Y98 AromaticContact CZ-CZ 3.93Å; Y8-Y98 WeakPolarHBondContact OH-CE1 3.25Å; Y8-Y98 PolarHBondContact OH-OH 3.11Å
9T98.8Very high96Very high51 Ų5154.6 Ų54.631%0.31331%0.31SS..EExtended strand (participates in β ladder)trans-131.8122.4171.3-58.40000108.6F21 I22 I93 I94 Q95T9-F21 WeakPolarHBondContact O-CA 3.48Å; T9-I22 PolarHBondContact N-O 3.3Å; T9-I22 PolarHBondContact O-N 3.04Å; T9-I93 HydrophobicContact CG2-CG2 4.06Å; T9-I94 WeakPolarHBondContact CA-O 3.36Å; T9-Q95 HydrophobicContact CG2-CG 4.38Å
10A98.5Very high96Very high1 Ų153.3 Ų53.31%0.00830%0.302CS..EExtended strand (participates in β ladder)trans-116.7123.9172.800000109.5L20 F21 Y73 L77 I93 I94A10-L20 CarbonylContact C-O 3.55Å; A10-L20 WeakPolarHBondContact CA-O 3.4Å; A10-F21 HydrophobicContact CB-CD2 4.17Å; A10-Y73 HydrophobicContact CB-CD1 3.91Å; A10-Y73 HydrophobicContact CB-CG 3.88Å; A10-L77 HydrophobicContact CB-CD1 4.22Å; A10-I93 CarbonylContact O-C 3.55Å; A10-I93 WeakPolarHBondContact O-CA 3.23Å; A10-I94 HydrophobicContact CB-CB 4.45Å; A10-I94 PolarHBondContact N-O 3.3Å; A10-I94 PolarHBondContact O-N 3.06Å
11M98.1Very high96.2Very high64 Ų6450.8 Ų50.832%0.31529%0.288SS..EExtended strand (participates in β ladder)trans-126119-175.1-178.8173.765.400110.8P19 L20 H92 I93M11-P19 CarbonylContact O-C 3.52Å; M11-P19 WeakPolarHBondContact O-CA 3.45Å; M11-P19 WeakPolarHBondContact O-CB 3.5Å; M11-L20 HydrophobicContact CE-CD2 4.03Å; M11-L20 PolarHBondContact N-O 3.38Å; M11-L20 PolarHBondContact O-N 2.83Å; M11-H92 WeakPolarHBondContact CA-O 3.46Å; M11-I93 HydrophobicContact CB-CG1 4.12Å; M11-I93 HydrophobicContact CG-CD1 4.43Å; M11-I93 HydrophobicContact CG-CG1 3.8Å; M11-I93 HydrophobicContact SD-CD1 4.24Å; M11-I93 HydrophobicContact SD-CG1 4.25Å
12S97.3Very high96.4Very high17 Ų1748.6 Ų48.612%0.11927%0.268CS..  trans-72.6145.3171.871.90000110.7S91 H92S12-S91 WeakPolarHBondContact O-CB 3.38Å; S12-S91 PolarHBondContact O-OG 3.07Å; S12-H92 PolarHBondContact N-O 3.26Å; S12-H92 PolarHBondContact OG-N 3.18Å; S12-H92 PolarHBondContact OG-O 3.08Å
13R95.4Very high96.4Very high66 Ų6646.4 Ų46.425%0.24926%0.258CS..  trans-139.871.3-179.652.5173.2177.5-165.1-8.1111.1G15 R16 E18 D38R13-G15 PolarHBondContact O-N 3.39Å; R13-R16 HydrophobicContact CB-CB 4.15Å; R13-R16 WeakPolarHBondContact CD-O 3.27Å; R13-R16 HydrophobicContact CG-CB 4.22Å; R13-R16 PolarHBondContact NE-O 2.76Å; R13-R16 PolarHBondContact O-N 3.17Å; R13-E18 PolarHBondContact NE-O 3.27Å; R13-E18 PolarHBondContact NH2-O 3.47Å; R13-E18 VanDerWaalsContact NH2-O 3.08Å; R13-D38 IonicContact CZ-OD1 3.24Å; R13-D38 IonicContact CZ-OD2 2.66Å; R13-D38 IonicContact NH1-OD1 3.21Å; R13-D38 IonicContact NH1-OD2 3.6Å; R13-D38 PolarHBondContact NH1-OD2 3.24Å; R13-D38 IonicContact NH2-OD1 2.69Å; R13-D38 PolarHBondContact NH2-OD1 2.84Å; R13-D38 IonicContact NH2-OD2 3.41Å; R13-D38 PolarHBondContact NH2-OD2 2.85Å
14P91.9Very high96.4Very high59 Ų5946.6 Ų46.638%0.38326%0.258SS..THydrogen-bonded Turntrans-49.5131.6-176.7-26.634.9000112.2R16 E88 G90P14-R16 VanDerWaalsContact C-N 3.26Å; P14-R16 PolarHBondContact O-N 2.94Å; P14-E88 WeakPolarHBondContact CB-O 3.19Å; P14-E88 WeakPolarHBondContact CG-O 3.27Å; P14-G90 VanDerWaalsContact CG-O 3.23Å; P14-G90 WeakPolarHBondContact CG-O 3.42Å
15G91.3Very high96.4Very high88 Ų8846.5 Ų46.591%0.90726%0.258SS*.THydrogen-bonded Turntrans76.10.8-177.300000115.9R13R13-G15 PolarHBondContact O-N 3.39Å
16R92.5Very high96.4Very high207 Ų20747.5 Ų47.578%0.78126%0.262SS*.SBendtrans-124.724179-58.7-174.4-177.2177.31.2113.5R13 P14R13-R16 HydrophobicContact CB-CB 4.15Å; R13-R16 WeakPolarHBondContact CD-O 3.27Å; R13-R16 HydrophobicContact CG-CB 4.22Å; R13-R16 PolarHBondContact NE-O 2.76Å; R13-R16 PolarHBondContact O-N 3.17Å; P14-R16 VanDerWaalsContact C-N 3.26Å; P14-R16 PolarHBondContact O-N 2.94Å
17G90.1Very high96.4Very high56 Ų5647 Ų4758%0.57726%0.26SS*.SBendtrans97.9-164.6178.400000113.9
18E92Very high96.4Very high91 Ų9144.4 Ų44.443%0.42525%0.25SC..SBendtrans-68.7155.9-179.2-70.9-61.9159.700112.3R13 L20 R74R13-E18 PolarHBondContact NE-O 3.27Å; R13-E18 PolarHBondContact NH2-O 3.47Å; R13-E18 VanDerWaalsContact NH2-O 3.08Å; E18-L20 PolarHBondContact O-N 3.04Å; E18-R74 WeakPolarHBondContact OE2-CD 3.45Å; E18-R74 IonicContact OE2-CZ 3.29Å; E18-R74 VanDerWaalsContact OE2-CZ 3.32Å; E18-R74 IonicContact OE2-NE 3.83Å; E18-R74 PolarHBondContact OE2-NE 2.91Å; E18-R74 IonicContact OE2-NH2 2.68Å
19P93Very high96.4Very high21 Ų2147.2 Ų47.214%0.13627%0.265CS..PPolyproline II helixtrans-53.5136.1175-26.935.9000112.5M11 R74 L77M11-P19 CarbonylContact O-C 3.52Å; M11-P19 WeakPolarHBondContact O-CA 3.45Å; M11-P19 WeakPolarHBondContact O-CB 3.5Å; P19-R74 HydrophobicContact CG-CB 4.4Å; P19-R74 HydrophobicContact CG-CG 4.09Å; P19-L77 HydrophobicContact CB-CD1 3.6Å; P19-L77 HydrophobicContact CG-CD1 3.83Å
20L96.6Very high96.3Very high27 Ų2745.4 Ų45.414%0.14125%0.254CS..EExtended strand (participates in β ladder)trans-71.4137.7171.417265.7000108.9A10 M11 E18 I22 D38A10-L20 CarbonylContact C-O 3.55Å; A10-L20 WeakPolarHBondContact CA-O 3.4Å; M11-L20 HydrophobicContact CE-CD2 4.03Å; M11-L20 PolarHBondContact N-O 3.38Å; M11-L20 PolarHBondContact O-N 2.83Å; E18-L20 PolarHBondContact O-N 3.04Å; L20-I22 HydrophobicContact CD1-CD1 4.38Å; L20-I22 HydrophobicContact CD1-CG1 4.07Å; L20-I22 HydrophobicContact CD2-CD1 3.89Å; L20-I22 HydrophobicContact CD2-CG1 4.31Å; L20-I22 HydrophobicContact CG-CD1 4.25Å; L20-I22 HydrophobicContact CG-CG1 4.11Å; L20-D38 HydrophobicContact CD1-CB 3.9Å
21F98.5Very high96.4Very high2 Ų247.9 Ų47.91%0.00927%0.266CS..EExtended strand (participates in β ladder)trans-126.4122.6170.7179.7-97.6000110.2Y8 T9 A10 A23 F35 S37 F66 N69 T70 Y73Y8-F21 HydrophobicContact CD1-CZ 4.3Å; Y8-F21 HydrophobicContact CD2-CE2 4.1Å; Y8-F21 AromaticContact CD2-CZ 3.86Å; Y8-F21 HydrophobicContact CD2-CZ 3.86Å; Y8-F21 HydrophobicContact CE2-CZ 4.28Å; Y8-F21 HydrophobicContact CG-CE2 4.12Å; Y8-F21 AromaticContact CG-CZ 3.86Å; Y8-F21 HydrophobicContact CG-CZ 3.86Å; T9-F21 WeakPolarHBondContact O-CA 3.48Å; A10-F21 HydrophobicContact CB-CD2 4.17Å; F21-A23 HydrophobicContact CE1-CB 3.89Å; F21-A23 HydrophobicContact CZ-CB 4.09Å; F21-F35 AromaticContact CD1-CD1 3.87Å; F21-F35 HydrophobicContact CD1-CD1 3.87Å; F21-F35 AromaticContact CD1-CE1 3.94Å; F21-F35 HydrophobicContact CD1-CE1 3.94Å; F21-F35 HydrophobicContact CE1-CD1 4.14Å; F21-F35 HydrophobicContact CE1-CE1 4.48Å; F21-S37 PolarHBondContact N-OG 3.05Å; F21-S37 WeakPolarHBondContact O-CB 3.34Å; F21-S37 PolarHBondContact O-N 3Å; F21-S37 PolarHBondContact O-OG 3.33Å; F21-F66 HydrophobicContact CE1-CB 4.23Å; F21-F66 HydrophobicContact CE1-CD1 4.23Å; F21-N69 HydrophobicContact CE1-CB 4.16Å; F21-N69 HydrophobicContact CE2-CB 4.22Å; F21-N69 HydrophobicContact CZ-CB 3.71Å; F21-T70 HydrophobicContact CB-CG2 3.95Å; F21-T70 VanDerWaalsContact CD1-OG1 3.27Å; F21-T70 WeakPolarHBondContact CD1-OG1 3.36Å; F21-Y73 AromaticContact CD2-CD2 3.94Å; F21-Y73 HydrophobicContact CD2-CD2 3.94Å; F21-Y73 HydrophobicContact CD2-CG 4.27Å; F21-Y73 AromaticContact CE2-CD2 3.43Å; F21-Y73 HydrophobicContact CE2-CD2 3.43Å; F21-Y73 VanDerWaalsContact CE2-CD2 3.43Å; F21-Y73 AromaticContact CE2-CE2 3.76Å; F21-Y73 HydrophobicContact CE2-CE2 3.76Å; F21-Y73 HydrophobicContact CE2-CG 4.13Å; F21-Y73 HydrophobicContact CZ-CD2 4.35Å; F21-Y73 HydrophobicContact CZ-CE2 4.45Å
22I98.7Very high96.4Very high47 Ų4744.9 Ų44.924%0.24125%0.251CS..EExtended strand (participates in β ladder)trans-120.9134.3174.6-63.7173.5000108.2Y8 T9 L20 V24 F35Y8-I22 CarbonylContact C-O 3.53Å; Y8-I22 WeakPolarHBondContact CA-O 3.35Å; T9-I22 PolarHBondContact N-O 3.3Å; T9-I22 PolarHBondContact O-N 3.04Å; L20-I22 HydrophobicContact CD1-CD1 4.38Å; L20-I22 HydrophobicContact CD1-CG1 4.07Å; L20-I22 HydrophobicContact CD2-CD1 3.89Å; L20-I22 HydrophobicContact CD2-CG1 4.31Å; L20-I22 HydrophobicContact CG-CD1 4.25Å; L20-I22 HydrophobicContact CG-CG1 4.11Å; I22-V24 HydrophobicContact CG2-CG1 4.35Å; I22-F35 WeakPolarHBondContact CA-O 3.47Å
23A98.8Very high96.4Very high1 Ų144.1 Ų44.11%0.00825%0.246CC..EExtended strand (participates in β ladder)trans-126.6137169.700000110.1F7 Y8 F21 R34 F35 F66F7-A23 WeakPolarHBondContact O-CA 3.45Å; Y8-A23 HydrophobicContact CD1-CB 3.44Å; Y8-A23 VanDerWaalsContact CD1-CB 3.44Å; Y8-A23 HydrophobicContact CE1-CB 3.63Å; Y8-A23 HydrophobicContact CG-CB 4.35Å; F21-A23 HydrophobicContact CE1-CB 3.89Å; F21-A23 HydrophobicContact CZ-CB 4.09Å; A23-R34 CarbonylContact O-C 3.57Å; A23-R34 WeakPolarHBondContact O-CA 3.4Å; A23-F35 HydrophobicContact CB-CB 4.3Å; A23-F35 PolarHBondContact N-O 2.96Å; A23-F35 PolarHBondContact O-N 2.9Å; A23-F66 HydrophobicContact CB-CD1 3.73Å; A23-F66 HydrophobicContact CB-CE1 3.6Å; A23-F66 HydrophobicContact CB-CG 4.36Å; A23-F66 HydrophobicContact CB-CZ 4.09Å
24V98.9Very high96.6Very high29 Ų2945.3 Ų45.318%0.17625%0.25CC..EExtended strand (participates in β ladder)trans-131.3143.7172.5-63.30000109.9Y6 F7 I22 Y26 Q31 V33 R34Y6-V24 WeakPolarHBondContact CA-O 3.32Å; F7-V24 HydrophobicContact CB-CG2 3.85Å; F7-V24 HydrophobicContact CD2-CG2 4.31Å; F7-V24 PolarHBondContact N-O 3.29Å; F7-V24 PolarHBondContact O-N 2.99Å; I22-V24 HydrophobicContact CG2-CG1 4.35Å; V24-Y26 HydrophobicContact CB-CE2 4.11Å; V24-Y26 HydrophobicContact CG2-CD2 4.27Å; V24-Y26 HydrophobicContact CG2-CE2 3.78Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.31Å; V24-V33 WeakPolarHBondContact CA-O 3.43Å; V24-R34 HydrophobicContact CG1-CB 4.43Å; V24-R34 HydrophobicContact CG1-CG 4.27Å
25G98.8Very high96.9Very high0 Ų042.6 Ų42.60%023%0.232CC..EExtended strand (participates in β ladder)trans-117138.2176.800000110.6R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.58Å; R5-G25 WeakPolarHBondContact O-CA 3.49Å; G25-Q31 WeakPolarHBondContact O-CA 3.48Å; G25-F32 WeakPolarHBondContact O-CD1 3.28Å; G25-F32 PolarHBondContact O-N 2.87Å; G25-V33 PolarHBondContact N-O 3.01Å; G25-V33 VanDerWaalsContact N-O 3.1Å
26Y98.9Very high97.3Very high69 Ų6939.9 Ų39.927%0.27120%0.197SC..EExtended strand (participates in β ladder)trans-126.3142178.8-78.9-101.3000110.9M4 R5 F7 V24 T30 Q31 F32M4-Y26 CarbonylContact C-O 3.53Å; M4-Y26 WeakPolarHBondContact CA-O 3.49Å; R5-Y26 PolarHBondContact N-O 2.83Å; R5-Y26 PolarHBondContact O-N 3.19Å; F7-Y26 AromaticContact CD2-CD2 4Å; F7-Y26 HydrophobicContact CD2-CD2 4Å; F7-Y26 HydrophobicContact CE2-CD2 4.01Å; F7-Y26 HydrophobicContact CE2-CG 4.45Å; V24-Y26 HydrophobicContact CB-CE2 4.11Å; V24-Y26 HydrophobicContact CG2-CD2 4.27Å; V24-Y26 HydrophobicContact CG2-CE2 3.78Å; Y26-T30 WeakPolarHBondContact CA-O 3.42Å; Y26-Q31 HydrophobicContact CD1-CB 4.08Å; Y26-Q31 HydrophobicContact CD2-CB 4.49Å; Y26-Q31 HydrophobicContact CD2-CG 4.35Å; Y26-Q31 HydrophobicContact CE1-CB 3.57Å; Y26-Q31 HydrophobicContact CE1-CG 4.32Å; Y26-Q31 HydrophobicContact CE2-CB 4.04Å; Y26-Q31 HydrophobicContact CE2-CG 3.85Å; Y26-F32 VanDerWaalsContact N-CE1 3.32Å
27V98.8Very high97.5Very high0 Ų031.2 Ų31.20%017%0.168CC..EExtended strand (participates in β ladder)trans-111.2117.7156.6176.70000106.4S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.57Å; S3-V27 VanDerWaalsContact O-CA 3.29Å; S3-V27 WeakPolarHBondContact O-CA 3.45Å; M4-V27 HydrophobicContact CG-CG2 4.35Å; V27-D29 PolarHBondContact O-N 2.96Å; V27-T30 PolarHBondContact N-O 3.31Å; V27-T30 WeakPolarHBondContact O-CB 3.45Å; V27-T30 PolarHBondContact O-N 3.35Å; V27-F32 HydrophobicContact CG2-CD1 4.07Å; V27-F32 HydrophobicContact CG2-CE1 4.11Å; V27-W50 HydrophobicContact CB-CH2 4.45Å; V27-W50 HydrophobicContact CG2-CH2 3.92Å; V27-W50 HydrophobicContact CG2-CZ2 4.47Å; V27-L167 HydrophobicContact CG1-CD1 3.6Å; V27-L167 HydrophobicContact CG2-CD1 4.19Å; V27-Y170 HydrophobicContact CG2-CD2 3.95Å; V27-Y170 HydrophobicContact CG2-CG 4.49Å; V27-L171 HydrophobicContact CG1-CD2 4.12Å; V27-L178 HydrophobicContact CB-CD1 4.3Å; V27-L178 HydrophobicContact CB-CD2 4.21Å; V27-L178 HydrophobicContact CG1-CD1 3.93Å; V27-L178 HydrophobicContact CG1-CD2 4.12Å
28D98.4Very high97.8Very high31 Ų3132.4 Ų32.417%0.16616%0.161CC..THydrogen-bonded Turntrans47.5-129.7-166-52.5-43.4000110.3H2 S3 T30H2-D28 VanDerWaalsContact CA-OD1 3.23Å; H2-D28 WeakPolarHBondContact CA-OD1 3.44Å; H2-D28 IonicContact CE1-OD2 3.91Å; H2-D28 IonicContact CG-OD2 3.12Å; H2-D28 IonicContact ND1-OD1 3.61Å; H2-D28 IonicContact ND1-OD2 2.78Å; H2-D28 PolarHBondContact ND1-OD2 2.77Å; S3-D28 PolarHBondContact N-OD1 3.02Å; S3-D28 PolarHBondContact O-N 3.5Å; S3-D28 PolarHBondContact OG-OD1 3.08Å; D28-T30 VanDerWaalsContact C-N 3.28Å; D28-T30 PolarHBondContact O-N 3.02Å
29D98.3Very high98.1Very high64 Ų6429.7 Ų29.734%0.34216%0.155SC..THydrogen-bonded Turntrans-87.414.5177.3-60.5-52.2000114.2V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 2.96Å; D29-Y208 HydrophobicContact CB-CE2 3.77Å; D29-P209 WeakPolarHBondContact OD2-CB 3.46Å; D29-A210 WeakPolarHBondContact OD2-CB 3.44Å; D29-A210 PolarHBondContact OD2-N 3.22Å; D29-F240 HydrophobicContact CB-CE2 3.78Å; D29-F240 HydrophobicContact CB-CZ 3.76Å
30T98.5Very high98.2Very high14 Ų1434.3 Ų34.39%0.08619%0.194CC..EExtended strand (participates in β ladder)trans-108112.8-178.9-57.60000111.5Y26 V27 D28 F32 A48 L178 Y208 R238Y26-T30 WeakPolarHBondContact CA-O 3.42Å; V27-T30 PolarHBondContact N-O 3.31Å; V27-T30 WeakPolarHBondContact O-CB 3.45Å; V27-T30 PolarHBondContact O-N 3.35Å; D28-T30 VanDerWaalsContact C-N 3.28Å; D28-T30 PolarHBondContact O-N 3.02Å; T30-F32 PolarHBondContact O-N 3.24Å; T30-A48 HydrophobicContact CG2-CB 4.45Å; T30-L178 HydrophobicContact CG2-CD2 4.1Å; T30-Y208 PolarHBondContact OG1-OH 3.08Å; T30-R238 PolarHBondContact OG1-NE 2.96Å
31Q98.6Very high98.2Very high53 Ų5336.9 Ų36.925%0.24821%0.214CC..EExtended strand (participates in β ladder)trans-67.9131.5172.6-167.5179.2-6.400110.6V24 G25 Y26 V33 R47V24-Q31 VanDerWaalsContact CG1-NE2 3.31Å; G25-Q31 WeakPolarHBondContact O-CA 3.48Å; Y26-Q31 HydrophobicContact CD1-CB 4.08Å; Y26-Q31 HydrophobicContact CD2-CB 4.49Å; Y26-Q31 HydrophobicContact CD2-CG 4.35Å; Y26-Q31 HydrophobicContact CE1-CB 3.57Å; Y26-Q31 HydrophobicContact CE1-CG 4.32Å; Y26-Q31 HydrophobicContact CE2-CB 4.04Å; Y26-Q31 HydrophobicContact CE2-CG 3.85Å; Q31-V33 PolarHBondContact NE2-O 3.37Å; Q31-R47 HydrophobicContact CG-CB 4.12Å; Q31-R47 HydrophobicContact CG-CG 4.36Å; Q31-R47 CarbonylContact O-C 3.59Å
32F98.7Very high98.2Very high0 Ų038.3 Ų38.30%022%0.224CC..EExtended strand (participates in β ladder)trans-121.2-22.9-179.474.6-85.1000114.7M4 Y6 G25 Y26 V27 T30 R47 A48 W50 I51 Y170M4-F32 HydrophobicContact CG-CE1 4.4Å; M4-F32 HydrophobicContact SD-CZ 4.32Å; Y6-F32 HydrophobicContact CE1-CZ 4.15Å; Y6-F32 AromaticContact CZ-CZ 3.81Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.22Å; G25-F32 WeakPolarHBondContact O-CD1 3.28Å; G25-F32 PolarHBondContact O-N 2.87Å; Y26-F32 VanDerWaalsContact N-CE1 3.32Å; V27-F32 HydrophobicContact CG2-CD1 4.07Å; V27-F32 HydrophobicContact CG2-CE1 4.11Å; T30-F32 PolarHBondContact O-N 3.24Å; F32-R47 PolarHBondContact O-N 3.3Å; F32-A48 HydrophobicContact CB-CB 4.14Å; F32-W50 HydrophobicContact CB-CH2 3.13Å; F32-W50 HydrophobicContact CB-CZ2 3.4Å; F32-W50 HydrophobicContact CB-CZ3 3.92Å; F32-W50 HydrophobicContact CD1-CH2 4.04Å; F32-W50 AromaticContact CD2-CH2 3.89Å; F32-W50 HydrophobicContact CD2-CH2 3.89Å; F32-W50 HydrophobicContact CD2-CZ3 4.13Å; F32-W50 AromaticContact CG-CH2 3.45Å; F32-W50 HydrophobicContact CG-CH2 3.45Å; F32-W50 VanDerWaalsContact CG-CH2 3.45Å; F32-W50 HydrophobicContact CG-CZ2 4.17Å; F32-W50 HydrophobicContact CG-CZ3 4.15Å; F32-I51 HydrophobicContact CD2-CB 4.48Å; F32-I51 HydrophobicContact CD2-CD1 3.94Å; F32-I51 HydrophobicContact CD2-CG1 4.01Å; F32-I51 HydrophobicContact CE2-CD1 4.31Å; F32-I51 VanDerWaalsContact O-CG2 3.25Å; F32-I51 WeakPolarHBondContact O-CG2 3.45Å; F32-Y170 HydrophobicContact CD2-CE2 4.48Å; F32-Y170 HydrophobicContact CE2-CD2 4.38Å; F32-Y170 AromaticContact CE2-CE2 3.72Å; F32-Y170 HydrophobicContact CE2-CE2 3.72Å; F32-Y170 HydrophobicContact CZ-CD2 4.41Å; F32-Y170 AromaticContact CZ-CE2 3.86Å; F32-Y170 HydrophobicContact CZ-CE2 3.86Å
33V98.8Very high98.1Very high2 Ų243.1 Ų43.11%0.01224%0.239CC..EExtended strand (participates in β ladder)trans-140.1155.3175.5-71.90000112.8Y6 V24 G25 Q31 T44 E45 I51 W59Y6-V33 HydrophobicContact CE1-CG2 3.97Å; V24-V33 WeakPolarHBondContact CA-O 3.43Å; G25-V33 PolarHBondContact N-O 3.01Å; G25-V33 VanDerWaalsContact N-O 3.1Å; Q31-V33 PolarHBondContact NE2-O 3.37Å; V33-T44 HydrophobicContact CB-CG2 4.02Å; V33-T44 HydrophobicContact CG1-CG2 3.99Å; V33-E45 WeakPolarHBondContact CA-O 3.35Å; V33-I51 HydrophobicContact CG1-CG1 4.36Å; V33-W59 HydrophobicContact CG1-CH2 4.22Å; V33-W59 HydrophobicContact CG1-CZ3 3.94Å
34R98.7Very high98.1Very high90 Ų9043.3 Ų43.334%0.3424%0.241SC..EExtended strand (participates in β ladder)trans-139.3145.6168.5178.2174170.3172.3-2.9110.6A23 V24 D36 T44 E45 R47A23-R34 CarbonylContact O-C 3.57Å; A23-R34 WeakPolarHBondContact O-CA 3.4Å; V24-R34 HydrophobicContact CG1-CB 4.43Å; V24-R34 HydrophobicContact CG1-CG 4.27Å; R34-D36 IonicContact CZ-OD2 3.9Å; R34-D36 IonicContact NE-OD2 3.14Å; R34-D36 IonicContact NH2-OD2 2.62Å; R34-D36 PolarHBondContact NH2-OD2 3.24Å; R34-T44 WeakPolarHBondContact O-CA 3.38Å; R34-E45 PolarHBondContact N-O 2.64Å; R34-E45 PolarHBondContact O-N 3.5Å; R34-R47 HydrophobicContact CB-CG 4.02Å
35F98.8Very high98.1Very high2 Ų244.5 Ų44.51%0.00924%0.244CC..EExtended strand (participates in β ladder)trans-130.5140.4163.1178.1-83.9000108.8F21 I22 A23 P42 F66 K67F21-F35 AromaticContact CD1-CD1 3.87Å; F21-F35 HydrophobicContact CD1-CD1 3.87Å; F21-F35 AromaticContact CD1-CE1 3.94Å; F21-F35 HydrophobicContact CD1-CE1 3.94Å; F21-F35 HydrophobicContact CE1-CD1 4.14Å; F21-F35 HydrophobicContact CE1-CE1 4.48Å; I22-F35 WeakPolarHBondContact CA-O 3.47Å; A23-F35 HydrophobicContact CB-CB 4.3Å; A23-F35 PolarHBondContact N-O 2.96Å; A23-F35 PolarHBondContact O-N 2.9Å; F35-P42 HydrophobicContact CE2-CB 3.94Å; F35-P42 HydrophobicContact CZ-CB 3.69Å; F35-F66 HydrophobicContact CB-CB 4.08Å; F35-F66 HydrophobicContact CB-CD2 3.48Å; F35-F66 VanDerWaalsContact CB-CD2 3.48Å; F35-F66 HydrophobicContact CB-CE2 4.06Å; F35-F66 HydrophobicContact CB-CG 3.86Å; F35-F66 HydrophobicContact CD1-CB 3.73Å; F35-F66 HydrophobicContact CD1-CG 4.37Å; F35-F66 HydrophobicContact CD2-CB 3.56Å; F35-F66 AromaticContact CD2-CD2 3.89Å; F35-F66 HydrophobicContact CD2-CD2 3.89Å; F35-F66 HydrophobicContact CD2-CG 4.14Å; F35-F66 HydrophobicContact CE1-CB 4.01Å; F35-F66 HydrophobicContact CE2-CB 3.85Å; F35-F66 HydrophobicContact CG-CB 3.5Å; F35-F66 AromaticContact CG-CD2 3.8Å; F35-F66 HydrophobicContact CG-CD2 3.8Å; F35-F66 AromaticContact CG-CG 3.87Å; F35-F66 HydrophobicContact CG-CG 3.87Å; F35-F66 HydrophobicContact CZ-CB 4.06Å; F35-K67 HydrophobicContact CE2-CG 4.24Å; F35-K67 HydrophobicContact CZ-CG 4.03Å
36D98.5Very high98.1Very high31 Ų3146.7 Ų46.717%0.16626%0.258CS..EExtended strand (participates in β ladder)trans-137.8118.1179.2-167.5-31.6000109.2R34 D38 A39R34-D36 IonicContact CZ-OD2 3.9Å; R34-D36 IonicContact NE-OD2 3.14Å; R34-D36 IonicContact NH2-OD2 2.62Å; R34-D36 PolarHBondContact NH2-OD2 3.24Å; D36-D38 PolarHBondContact O-N 2.85Å; D36-D38 PolarHBondContact OD1-N 3.04Å; D36-A39 HydrophobicContact CB-CB 4.36Å; D36-A39 WeakPolarHBondContact O-CB 3.4Å; D36-A39 PolarHBondContact O-N 2.89Å
37S97.9Very high98.1Very high25 Ų2548.8 Ų48.818%0.17527%0.265CS..THydrogen-bonded Turntrans-69.1-20.5-178.569.60000113.8F21 P42F21-S37 PolarHBondContact N-OG 3.05Å; F21-S37 WeakPolarHBondContact O-CB 3.34Å; F21-S37 PolarHBondContact O-N 3Å; F21-S37 PolarHBondContact O-OG 3.33Å; S37-P42 WeakPolarHBondContact O-CG 3.23Å
38D96.6Very high98Very high81 Ų8149 Ų4943%0.43327%0.267SS..THydrogen-bonded Turntrans-89.7-4.2179.5-84.57.8000112.8R13 L20 D36R13-D38 IonicContact CZ-OD1 3.24Å; R13-D38 IonicContact CZ-OD2 2.66Å; R13-D38 IonicContact NH1-OD1 3.21Å; R13-D38 IonicContact NH1-OD2 3.6Å; R13-D38 PolarHBondContact NH1-OD2 3.24Å; R13-D38 IonicContact NH2-OD1 2.69Å; R13-D38 PolarHBondContact NH2-OD1 2.84Å; R13-D38 IonicContact NH2-OD2 3.41Å; R13-D38 PolarHBondContact NH2-OD2 2.85Å; L20-D38 HydrophobicContact CD1-CB 3.9Å; D36-D38 PolarHBondContact O-N 2.85Å; D36-D38 PolarHBondContact OD1-N 3.04Å
39A96.7Very high98Very high35 Ų3552.5 Ų52.529%0.28929%0.292SS..SBendtrans-60.5148.7172.500000111D36 S41 P42D36-A39 HydrophobicContact CB-CB 4.36Å; D36-A39 WeakPolarHBondContact O-CB 3.4Å; D36-A39 PolarHBondContact O-N 2.89Å; A39-S41 PolarHBondContact O-N 2.84Å; A39-S41 VanDerWaalsContact O-N 3.14Å; A39-P42 WeakPolarHBondContact O-CD 3.07Å; A39-P42 VanDerWaalsContact O-CG 3.29Å; A39-P42 WeakPolarHBondContact O-CG 3.33Å
40A96.6Very high97.9Very high117 Ų11750.3 Ų50.397%0.96728%0.279SS*.SBendtrans-57.9-31.6179.700000113.1
41S96.6Very high97.9Very high81 Ų8149.6 Ų49.657%0.56628%0.275SS*.SBendtrans-134.989.4170.8-173.60000108.8A39 R43A39-S41 PolarHBondContact O-N 2.84Å; A39-S41 VanDerWaalsContact O-N 3.14Å; S41-R43 PolarHBondContact O-N 3.29Å; S41-R43 VanDerWaalsContact O-N 3.12Å
42P97.3Very high97.9Very high33 Ų3353 Ų5321%0.21429%0.29CS..  trans-62.1115.1-175.1-25.936.6000111.8F35 S37 A39 K67F35-P42 HydrophobicContact CE2-CB 3.94Å; F35-P42 HydrophobicContact CZ-CB 3.69Å; S37-P42 WeakPolarHBondContact O-CG 3.23Å; A39-P42 WeakPolarHBondContact O-CD 3.07Å; A39-P42 VanDerWaalsContact O-CG 3.29Å; A39-P42 WeakPolarHBondContact O-CG 3.33Å; P42-K67 WeakPolarHBondContact O-CE 3.41Å
43R98.1Very high97.8Very high147 Ų14758.4 Ų58.456%0.55532%0.316SS*.  trans-145.8159.9178.363.2-176.6167.9-175.8-3.8110.5S41 E45 T63S41-R43 PolarHBondContact O-N 3.29Å; S41-R43 VanDerWaalsContact O-N 3.12Å; R43-E45 HydrophobicContact CG-CG 3.95Å; R43-E45 IonicContact NE-OE1 2.94Å; R43-T63 HydrophobicContact CB-CG2 4.23Å
44T98.4Very high97.7Very high6 Ų659 Ų594%0.03732%0.318CS..  trans-72.9126.7169.4-480000108.2V33 R34 W59 N62 T63 F66V33-T44 HydrophobicContact CB-CG2 4.02Å; V33-T44 HydrophobicContact CG1-CG2 3.99Å; R34-T44 WeakPolarHBondContact O-CA 3.38Å; T44-W59 HydrophobicContact CG2-CE3 4.07Å; T44-W59 HydrophobicContact CG2-CZ3 3.95Å; T44-N62 HydrophobicContact CG2-CB 4.26Å; T44-N62 VanDerWaalsContact OG1-C 3.28Å; T44-T63 PolarHBondContact N-OG1 3.48Å; T44-T63 WeakPolarHBondContact OG1-CA 3.2Å; T44-T63 PolarHBondContact OG1-N 2.74Å; T44-T63 VanDerWaalsContact OG1-N 3.09Å; T44-T63 PolarHBondContact OG1-OG1 2.66Å; T44-F66 HydrophobicContact CG2-CD2 4.28Å; T44-F66 HydrophobicContact CG2-CE2 3.75Å; T44-F66 VanDerWaalsContact OG1-CD2 3.24Å; T44-F66 WeakPolarHBondContact OG1-CD2 3.37Å; T44-F66 WeakPolarHBondContact OG1-CE2 3.45Å
45E98.4Very high97.7Very high54 Ų5456 Ų5625%0.25232%0.316SS..EExtended strand (participates in β ladder)trans-116.7139.6-176.2-62.5-177152.800110.7V33 R34 R43 R47V33-E45 WeakPolarHBondContact CA-O 3.35Å; R34-E45 PolarHBondContact N-O 2.64Å; R34-E45 PolarHBondContact O-N 3.5Å; R43-E45 HydrophobicContact CG-CG 3.95Å; R43-E45 IonicContact NE-OE1 2.94Å; E45-R47 IonicContact OE2-CZ 3.71Å; E45-R47 IonicContact OE2-NH1 3.56Å; E45-R47 IonicContact OE2-NH2 2.9Å; E45-R47 PolarHBondContact OE2-NH2 2.91Å
46P98.5Very high97.6Very high45 Ų4559.8 Ų59.829%0.29234%0.34SS..EExtended strand (participates in β ladder)trans-66.3145.3173.128-33.5000111I51 E52 W59P46-I51 HydrophobicContact CB-CG2 3.73Å; P46-E52 HydrophobicContact CB-CG 3.77Å; P46-E52 HydrophobicContact CG-CG 4.09Å; P46-W59 HydrophobicContact CB-CH2 3.66Å; P46-W59 HydrophobicContact CB-CZ2 4.13Å; P46-W59 HydrophobicContact CB-CZ3 4.45Å; P46-W59 HydrophobicContact CG-CH2 4.26Å
47R98.3Very high97.6Very high113 Ų11365 Ų6543%0.42636%0.364SS..  trans-129.7-1174.1-61.5-64.9177.6-1347.6113.4Q31 F32 R34 E45Q31-R47 HydrophobicContact CG-CB 4.12Å; Q31-R47 HydrophobicContact CG-CG 4.36Å; Q31-R47 CarbonylContact O-C 3.59Å; F32-R47 PolarHBondContact O-N 3.3Å; R34-R47 HydrophobicContact CB-CG 4.02Å; E45-R47 IonicContact OE2-CZ 3.71Å; E45-R47 IonicContact OE2-NH1 3.56Å; E45-R47 IonicContact OE2-NH2 2.9Å; E45-R47 PolarHBondContact OE2-NH2 2.91Å
48A97.6Very high97.6Very high4 Ų464.6 Ų64.63%0.03336%0.359CS..SBendtrans-138.5144.3173.300000110.7T30 F32 W50 I51T30-A48 HydrophobicContact CG2-CB 4.45Å; F32-A48 HydrophobicContact CB-CB 4.14Å; A48-W50 VanDerWaalsContact C-N 3.3Å; A48-W50 HydrophobicContact CB-CD2 4.2Å; A48-W50 HydrophobicContact CB-CG 4.43Å; A48-W50 HydrophobicContact CB-CZ2 3.98Å; A48-W50 PolarHBondContact O-N 3.06Å; A48-I51 WeakPolarHBondContact O-CG2 3.33Å; A48-I51 PolarHBondContact O-N 2.87Å
49P97.7Very high97.7Very high106 Ų10662.7 Ų62.769%0.68835%0.345SS*.G310 helixtrans-59.1-37.9-175.8-26.534.7000114I51 E52P49-I51 PolarHBondContact O-N 2.83Å; P49-E52 WeakPolarHBondContact O-CB 3.38Å; P49-E52 PolarHBondContact O-N 3.19Å; P49-E52 VanDerWaalsContact O-N 3.12Å
50W97.8Very high97.8Very high17 Ų1766.3 Ų66.36%0.06436%0.36CS..G310 helixtrans-69.5-14.3-175.952.5-105.7000114.3V27 F32 A48 Q53 Y170 L178V27-W50 HydrophobicContact CB-CH2 4.45Å; V27-W50 HydrophobicContact CG2-CH2 3.92Å; V27-W50 HydrophobicContact CG2-CZ2 4.47Å; F32-W50 HydrophobicContact CB-CH2 3.13Å; F32-W50 HydrophobicContact CB-CZ2 3.4Å; F32-W50 HydrophobicContact CB-CZ3 3.92Å; F32-W50 HydrophobicContact CD1-CH2 4.04Å; F32-W50 AromaticContact CD2-CH2 3.89Å; F32-W50 HydrophobicContact CD2-CH2 3.89Å; F32-W50 HydrophobicContact CD2-CZ3 4.13Å; F32-W50 AromaticContact CG-CH2 3.45Å; F32-W50 HydrophobicContact CG-CH2 3.45Å; F32-W50 VanDerWaalsContact CG-CH2 3.45Å; F32-W50 HydrophobicContact CG-CZ2 4.17Å; F32-W50 HydrophobicContact CG-CZ3 4.15Å; A48-W50 VanDerWaalsContact C-N 3.3Å; A48-W50 HydrophobicContact CB-CD2 4.2Å; A48-W50 HydrophobicContact CB-CG 4.43Å; A48-W50 HydrophobicContact CB-CZ2 3.98Å; A48-W50 PolarHBondContact O-N 3.06Å; W50-Q53 WeakPolarHBondContact O-CG 2.96Å; W50-Q53 PolarHBondContact O-NE2 3.45Å; W50-Y170 HydrophobicContact CE3-CD1 4.35Å; W50-Y170 HydrophobicContact CH2-CG 4.19Å; W50-Y170 AromaticContact CZ3-CD1 3.71Å; W50-Y170 HydrophobicContact CZ3-CD1 3.71Å; W50-Y170 HydrophobicContact CZ3-CD2 4.26Å; W50-Y170 HydrophobicContact CZ3-CE1 4.44Å; W50-Y170 AromaticContact CZ3-CG 3.62Å; W50-Y170 HydrophobicContact CZ3-CG 3.62Å; W50-L178 HydrophobicContact CD2-CD1 4.41Å; W50-L178 HydrophobicContact CH2-CD1 4.36Å; W50-L178 HydrophobicContact CZ2-CD1 3.83Å; W50-L178 HydrophobicContact CZ2-CD2 4.16Å; W50-L178 HydrophobicContact CZ2-CG 4.42Å
51I98.3Very high97.9Very high0 Ų067.8 Ų67.80%034%0.34CS..G310 helixtrans-88.5-19.4174.2-163.370.8000111.9F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-I51 HydrophobicContact CD2-CB 4.48Å; F32-I51 HydrophobicContact CD2-CD1 3.94Å; F32-I51 HydrophobicContact CD2-CG1 4.01Å; F32-I51 HydrophobicContact CE2-CD1 4.31Å; F32-I51 VanDerWaalsContact O-CG2 3.25Å; F32-I51 WeakPolarHBondContact O-CG2 3.45Å; V33-I51 HydrophobicContact CG1-CG1 4.36Å; P46-I51 HydrophobicContact CB-CG2 3.73Å; A48-I51 WeakPolarHBondContact O-CG2 3.33Å; A48-I51 PolarHBondContact O-N 2.87Å; P49-I51 PolarHBondContact O-N 2.83Å; I51-Q53 PolarHBondContact O-N 2.82Å; I51-Q53 VanDerWaalsContact O-N 3.15Å; I51-E54 HydrophobicContact CD1-CG 3.7Å; I51-E54 HydrophobicContact CG1-CG 4.24Å; I51-E54 WeakPolarHBondContact O-CB 3.5Å; I51-E54 WeakPolarHBondContact O-CG 3.43Å; I51-E54 PolarHBondContact O-N 3.32Å; I51-Y58 HydrophobicContact CD1-CE1 4.21Å; I51-Y58 HydrophobicContact CG1-CE1 4.23Å; I51-W59 HydrophobicContact CB-CH2 4.48Å; I51-W59 HydrophobicContact CG1-CH2 3.79Å; I51-W59 HydrophobicContact CG1-CZ2 4.13Å; I51-W59 HydrophobicContact CG2-CH2 4.04Å; I51-W59 WeakPolarHBondContact O-CZ2 3.28Å; I51-Y170 HydrophobicContact CD1-CD1 3.92Å; I51-Y170 HydrophobicContact CD1-CE1 3.32Å
52E97.3Very high97.9Very high124 Ų12465 Ų6558%0.57932%0.319SS*.THydrogen-bonded Turntrans-64.8-22-175.9-64.5-179.5-173.800113.4P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.77Å; P46-E52 HydrophobicContact CG-CG 4.09Å; P49-E52 WeakPolarHBondContact O-CB 3.38Å; P49-E52 PolarHBondContact O-N 3.19Å; P49-E52 VanDerWaalsContact O-N 3.12Å; E52-E54 PolarHBondContact O-N 3.08Å
53Q96.7Very high98Very high114 Ų11464.1 Ų64.153%0.53331%0.313SS..THydrogen-bonded Turntrans-72-12.6175.570.6-173.8-37.900114.1W50 I51 N173W50-Q53 WeakPolarHBondContact O-CG 2.96Å; W50-Q53 PolarHBondContact O-NE2 3.45Å; I51-Q53 PolarHBondContact O-N 2.82Å; I51-Q53 VanDerWaalsContact O-N 3.15Å; Q53-N173 PolarHBondContact NE2-ND2 3.38Å; Q53-N173 VanDerWaalsContact NE2-ND2 3.19Å
54E98.1Very high98Very high13 Ų1362.4 Ų62.46%0.06131%0.311CS..SBendtrans-66.2138.1176.7-63.5-60.216400110.7I51 E52 Y58 W59 R169 N173I51-E54 HydrophobicContact CD1-CG 3.7Å; I51-E54 HydrophobicContact CG1-CG 4.24Å; I51-E54 WeakPolarHBondContact O-CB 3.5Å; I51-E54 WeakPolarHBondContact O-CG 3.43Å; I51-E54 PolarHBondContact O-N 3.32Å; E52-E54 PolarHBondContact O-N 3.08Å; E54-Y58 HydrophobicContact CB-CD1 3.64Å; E54-Y58 HydrophobicContact CB-CE1 4.3Å; E54-Y58 HydrophobicContact CB-CG 3.78Å; E54-Y58 HydrophobicContact CG-CD1 4.12Å; E54-Y58 HydrophobicContact CG-CD2 4.47Å; E54-Y58 HydrophobicContact CG-CE1 4.37Å; E54-Y58 HydrophobicContact CG-CG 4.19Å; E54-W59 HydrophobicContact CB-CZ2 4.48Å; E54-W59 PolarHBondContact O-NE1 3.19Å; E54-R169 IonicContact OE1-CZ 3.77Å; E54-R169 IonicContact OE1-NE 3.78Å; E54-R169 PolarHBondContact OE1-NE 3.15Å; E54-R169 IonicContact OE1-NH2 2.79Å; E54-R169 PolarHBondContact OE1-NH2 3.41Å; E54-R169 VanDerWaalsContact OE1-NH2 3.16Å; E54-R169 IonicContact OE2-CZ 2.74Å; E54-R169 IonicContact OE2-NE 2.66Å; E54-R169 IonicContact OE2-NH2 3.68Å; E54-R169 PolarHBondContact OE2-NH2 3.32Å; E54-N173 PolarHBondContact OE1-ND2 3.2Å
55G97.7Very high98Very high28 Ų2865.2 Ų65.229%0.28933%0.326SS..  trans-69.2167.4-175.800000114.1E57 Y58G55-E57 PolarHBondContact O-N 3.12Å; G55-E57 VanDerWaalsContact O-N 3.16Å; G55-Y58 WeakPolarHBondContact O-CB 3.35Å; G55-Y58 PolarHBondContact O-N 3.15Å
56P97.8Very high98Very high81 Ų8162.8 Ų62.853%0.52631%0.314SS..Hα-helixtrans-56.4-33-179.423.6-32.9000113Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.27Å; P56-Y58 PolarHBondContact O-N 3.43Å; P56-W59 PolarHBondContact O-N 3.04Å; P56-W59 VanDerWaalsContact O-N 3.14Å; P56-D60 WeakPolarHBondContact O-CB 3.46Å; P56-D60 PolarHBondContact O-N 2.6Å
57E98Very high98Very high141 Ų14165 Ų6566%0.65932%0.319SS*.Hα-helixtrans-61.9-35178.7-5979.5-174.300112.3G55 R61G55-E57 PolarHBondContact O-N 3.12Å; G55-E57 VanDerWaalsContact O-N 3.16Å; E57-R61 WeakPolarHBondContact O-CB 3.49Å; E57-R61 PolarHBondContact O-N 2.85Å
58Y98.1Very high97.9Very high17 Ų1763 Ų637%0.06732%0.32CS..Hα-helixtrans-65.5-47.7174.8171.6-92000110.6I51 E54 G55 P56 N62 W166 Y170I51-Y58 HydrophobicContact CD1-CE1 4.21Å; I51-Y58 HydrophobicContact CG1-CE1 4.23Å; E54-Y58 HydrophobicContact CB-CD1 3.64Å; E54-Y58 HydrophobicContact CB-CE1 4.3Å; E54-Y58 HydrophobicContact CB-CG 3.78Å; E54-Y58 HydrophobicContact CG-CD1 4.12Å; E54-Y58 HydrophobicContact CG-CD2 4.47Å; E54-Y58 HydrophobicContact CG-CE1 4.37Å; E54-Y58 HydrophobicContact CG-CG 4.19Å; G55-Y58 WeakPolarHBondContact O-CB 3.35Å; G55-Y58 PolarHBondContact O-N 3.15Å; P56-Y58 VanDerWaalsContact C-N 3.27Å; P56-Y58 PolarHBondContact O-N 3.43Å; Y58-N62 VanDerWaalsContact CD2-ND2 3.33Å; Y58-N62 WeakPolarHBondContact CD2-ND2 3.44Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.38Å; Y58-N62 WeakPolarHBondContact O-CB 3.23Å; Y58-N62 PolarHBondContact O-N 3.35Å; Y58-N62 PolarHBondContact O-ND2 2.91Å; Y58-W166 AromaticContact CD2-CH2 3.6Å; Y58-W166 HydrophobicContact CD2-CH2 3.6Å; Y58-W166 HydrophobicContact CD2-CZ2 4.1Å; Y58-W166 HydrophobicContact CD2-CZ3 4.03Å; Y58-W166 HydrophobicContact CE2-CE3 4.48Å; Y58-W166 AromaticContact CE2-CH2 3.99Å; Y58-W166 HydrophobicContact CE2-CH2 3.99Å; Y58-W166 HydrophobicContact CE2-CZ2 4.39Å; Y58-W166 HydrophobicContact CE2-CZ3 4.03Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.25Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.33Å; Y58-Y170 PolarHBondContact OH-OH 2.89Å
59W98.5Very high97.9Very high40 Ų4064 Ų6415%0.15233%0.325CS..Hα-helixtrans-67.3-42.5-177.7-62.7110.9000112.3V33 T44 P46 I51 E54 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.22Å; V33-W59 HydrophobicContact CG1-CZ3 3.94Å; T44-W59 HydrophobicContact CG2-CE3 4.07Å; T44-W59 HydrophobicContact CG2-CZ3 3.95Å; P46-W59 HydrophobicContact CB-CH2 3.66Å; P46-W59 HydrophobicContact CB-CZ2 4.13Å; P46-W59 HydrophobicContact CB-CZ3 4.45Å; P46-W59 HydrophobicContact CG-CH2 4.26Å; I51-W59 HydrophobicContact CB-CH2 4.48Å; I51-W59 HydrophobicContact CG1-CH2 3.79Å; I51-W59 HydrophobicContact CG1-CZ2 4.13Å; I51-W59 HydrophobicContact CG2-CH2 4.04Å; I51-W59 WeakPolarHBondContact O-CZ2 3.28Å; E54-W59 HydrophobicContact CB-CZ2 4.48Å; E54-W59 PolarHBondContact O-NE1 3.19Å; P56-W59 PolarHBondContact O-N 3.04Å; P56-W59 VanDerWaalsContact O-N 3.14Å; W59-T63 WeakPolarHBondContact O-CB 3.45Å; W59-T63 PolarHBondContact O-N 3.02Å; W59-T63 PolarHBondContact O-OG1 2.85Å
60D98.4Very high97.9Very high112 Ų11259.6 Ų59.660%0.59930%0.296SS*.Hα-helixtrans-66-46.1178.4-73.4-18.8000111P56 T63 Q64P56-D60 WeakPolarHBondContact O-CB 3.46Å; P56-D60 PolarHBondContact O-N 2.6Å; D60-T63 PolarHBondContact O-N 2.92Å; D60-Q64 WeakPolarHBondContact O-CB 3.27Å; D60-Q64 PolarHBondContact O-N 2.78Å
61R98.1Very high97.9Very high147 Ų14763.1 Ų63.156%0.55531%0.313SS*.Hα-helixtrans-59.9-50.5177.3-179.6-179.1174.6-175.2-1.2111.6E57 T63 Q64 I65E57-R61 WeakPolarHBondContact O-CB 3.49Å; E57-R61 PolarHBondContact O-N 2.85Å; R61-T63 VanDerWaalsContact C-N 3.34Å; R61-T63 PolarHBondContact O-N 3.08Å; R61-Q64 PolarHBondContact O-N 3.21Å; R61-I65 HydrophobicContact CG-CD1 4.02Å; R61-I65 WeakPolarHBondContact O-CG1 3.15Å; R61-I65 PolarHBondContact O-N 2.96Å
62N98Very high97.8Very high22 Ų2266.2 Ų66.212%0.11833%0.332CS..Hα-helixtrans-66.8-37.3-179.1-77.5-72.2000112T44 Y58 Q64 I65 F66T44-N62 HydrophobicContact CG2-CB 4.26Å; T44-N62 VanDerWaalsContact OG1-C 3.28Å; Y58-N62 VanDerWaalsContact CD2-ND2 3.33Å; Y58-N62 WeakPolarHBondContact CD2-ND2 3.44Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.38Å; Y58-N62 WeakPolarHBondContact O-CB 3.23Å; Y58-N62 PolarHBondContact O-N 3.35Å; Y58-N62 PolarHBondContact O-ND2 2.91Å; N62-Q64 VanDerWaalsContact C-N 3.31Å; N62-Q64 PolarHBondContact O-N 3.18Å; N62-I65 PolarHBondContact O-N 3.13Å; N62-F66 HydrophobicContact CB-CE2 4.41Å; N62-F66 VanDerWaalsContact O-CD2 3.26Å; N62-F66 WeakPolarHBondContact O-CD2 3.21Å; N62-F66 PolarHBondContact O-N 3.45Å
63T98.6Very high97.8Very high15 Ų1561 Ų619%0.09231%0.307CS..Hα-helixtrans-60.1-43.5173.9-65.40000111.2R43 T44 W59 D60 R61 F66 K67R43-T63 HydrophobicContact CB-CG2 4.23Å; T44-T63 PolarHBondContact N-OG1 3.48Å; T44-T63 WeakPolarHBondContact OG1-CA 3.2Å; T44-T63 PolarHBondContact OG1-N 2.74Å; T44-T63 VanDerWaalsContact OG1-N 3.09Å; T44-T63 PolarHBondContact OG1-OG1 2.66Å; W59-T63 WeakPolarHBondContact O-CB 3.45Å; W59-T63 PolarHBondContact O-N 3.02Å; W59-T63 PolarHBondContact O-OG1 2.85Å; D60-T63 PolarHBondContact O-N 2.92Å; R61-T63 VanDerWaalsContact C-N 3.34Å; R61-T63 PolarHBondContact O-N 3.08Å; T63-F66 PolarHBondContact O-N 3.13Å; T63-K67 HydrophobicContact CG2-CD 4.2Å; T63-K67 WeakPolarHBondContact O-CB 3.26Å; T63-K67 WeakPolarHBondContact O-CG 3.39Å; T63-K67 PolarHBondContact O-N 2.78Å
64Q98.4Very high97.8Very high111 Ų11157.7 Ų57.752%0.51929%0.29SS..Hα-helixtrans-66.6-40.1177.1-170.757.631.700112D60 R61 N62 F66 K67 T68D60-Q64 WeakPolarHBondContact O-CB 3.27Å; D60-Q64 PolarHBondContact O-N 2.78Å; R61-Q64 PolarHBondContact O-N 3.21Å; N62-Q64 VanDerWaalsContact C-N 3.31Å; N62-Q64 PolarHBondContact O-N 3.18Å; Q64-F66 PolarHBondContact O-N 2.8Å; Q64-K67 PolarHBondContact O-N 2.66Å; Q64-T68 PolarHBondContact O-N 3.44Å; Q64-T68 PolarHBondContact O-OG1 2.85Å
65I97.8Very high97.7Very high66 Ų6662.7 Ų62.734%0.33831%0.313SS..Hα-helixtrans-57.4-49.8174.1-71.2166.1000110.5R61 N62 K67 T68 N69R61-I65 HydrophobicContact CG-CD1 4.02Å; R61-I65 WeakPolarHBondContact O-CG1 3.15Å; R61-I65 PolarHBondContact O-N 2.96Å; N62-I65 PolarHBondContact O-N 3.13Å; I65-K67 PolarHBondContact O-N 2.85Å; I65-T68 PolarHBondContact O-N 3.23Å; I65-N69 PolarHBondContact O-N 2.98Å; I65-N69 PolarHBondContact O-ND2 2.86Å
66F98.3Very high97.7Very high3 Ų363.2 Ų63.21%0.01331%0.312CS..Hα-helixtrans-67.2-36179.7-65.5-44.9000112.9Y6 Y8 F21 A23 F35 T44 N62 T63 Q64 T68 N69 T70Y6-F66 HydrophobicContact CD1-CZ 4.36Å; Y6-F66 HydrophobicContact CE1-CZ 4.21Å; Y8-F66 HydrophobicContact CE1-CD1 4.28Å; Y8-F66 AromaticContact CE1-CE1 3.62Å; Y8-F66 HydrophobicContact CE1-CE1 3.62Å; Y8-F66 AromaticContact CZ-CE1 3.74Å; Y8-F66 WeakPolarHBondContact OH-CE1 3.39Å; F21-F66 HydrophobicContact CE1-CB 4.23Å; F21-F66 HydrophobicContact CE1-CD1 4.23Å; A23-F66 HydrophobicContact CB-CD1 3.73Å; A23-F66 HydrophobicContact CB-CE1 3.6Å; A23-F66 HydrophobicContact CB-CG 4.36Å; A23-F66 HydrophobicContact CB-CZ 4.09Å; F35-F66 HydrophobicContact CB-CB 4.08Å; F35-F66 HydrophobicContact CB-CD2 3.48Å; F35-F66 VanDerWaalsContact CB-CD2 3.48Å; F35-F66 HydrophobicContact CB-CE2 4.06Å; F35-F66 HydrophobicContact CB-CG 3.86Å; F35-F66 HydrophobicContact CD1-CB 3.73Å; F35-F66 HydrophobicContact CD1-CG 4.37Å; F35-F66 HydrophobicContact CD2-CB 3.56Å; F35-F66 AromaticContact CD2-CD2 3.89Å; F35-F66 HydrophobicContact CD2-CD2 3.89Å; F35-F66 HydrophobicContact CD2-CG 4.14Å; F35-F66 HydrophobicContact CE1-CB 4.01Å; F35-F66 HydrophobicContact CE2-CB 3.85Å; F35-F66 HydrophobicContact CG-CB 3.5Å; F35-F66 AromaticContact CG-CD2 3.8Å; F35-F66 HydrophobicContact CG-CD2 3.8Å; F35-F66 AromaticContact CG-CG 3.87Å; F35-F66 HydrophobicContact CG-CG 3.87Å; F35-F66 HydrophobicContact CZ-CB 4.06Å; T44-F66 HydrophobicContact CG2-CD2 4.28Å; T44-F66 HydrophobicContact CG2-CE2 3.75Å; T44-F66 VanDerWaalsContact OG1-CD2 3.24Å; T44-F66 WeakPolarHBondContact OG1-CD2 3.37Å; T44-F66 WeakPolarHBondContact OG1-CE2 3.45Å; N62-F66 HydrophobicContact CB-CE2 4.41Å; N62-F66 VanDerWaalsContact O-CD2 3.26Å; N62-F66 WeakPolarHBondContact O-CD2 3.21Å; N62-F66 PolarHBondContact O-N 3.45Å; T63-F66 PolarHBondContact O-N 3.13Å; Q64-F66 PolarHBondContact O-N 2.8Å; F66-T68 PolarHBondContact O-N 2.81Å; F66-N69 PolarHBondContact O-N 3.03Å; F66-T70 PolarHBondContact O-N 3.15Å; F66-T70 PolarHBondContact O-OG1 2.71Å
67K97.9Very high97.7Very high90 Ų9059.8 Ų59.839%0.39129%0.29SS..Hα-helixtrans-61.9-42172.4-76.5178.7177.8177.40112.3F35 P42 T63 Q64 I65 T70 Q71F35-K67 HydrophobicContact CE2-CG 4.24Å; F35-K67 HydrophobicContact CZ-CG 4.03Å; P42-K67 WeakPolarHBondContact O-CE 3.41Å; T63-K67 HydrophobicContact CG2-CD 4.2Å; T63-K67 WeakPolarHBondContact O-CB 3.26Å; T63-K67 WeakPolarHBondContact O-CG 3.39Å; T63-K67 PolarHBondContact O-N 2.78Å; Q64-K67 PolarHBondContact O-N 2.66Å; I65-K67 PolarHBondContact O-N 2.85Å; K67-T70 WeakPolarHBondContact O-CB 3.37Å; K67-T70 PolarHBondContact O-N 3.43Å; K67-Q71 PolarHBondContact O-N 2.98Å
68T97.9Very high97.7Very high72 Ų7259.5 Ų59.544%0.44228%0.282SS..Hα-helixtrans-64.8-41173.8-65.20000111.3Q64 I65 F66 T70 Q71 T72Q64-T68 PolarHBondContact O-N 3.44Å; Q64-T68 PolarHBondContact O-OG1 2.85Å; I65-T68 PolarHBondContact O-N 3.23Å; F66-T68 PolarHBondContact O-N 2.81Å; T68-T70 PolarHBondContact O-N 3.14Å; T68-Q71 PolarHBondContact O-N 2.81Å; T68-T72 PolarHBondContact O-N 3.07Å; T68-T72 PolarHBondContact O-OG1 3.36Å
69N97.3Very high97.6Very high25 Ų2562.5 Ų62.513%0.13430%0.299CS..Hα-helixtrans-61.9-41.4175.2-77.3-30.3000111.7Y8 F21 I65 F66 Q71 T72 Y73Y8-N69 WeakPolarHBondContact CE2-ND2 3.46Å; Y8-N69 PolarHBondContact OH-ND2 3.32Å; F21-N69 HydrophobicContact CE1-CB 4.16Å; F21-N69 HydrophobicContact CE2-CB 4.22Å; F21-N69 HydrophobicContact CZ-CB 3.71Å; I65-N69 PolarHBondContact O-N 2.98Å; I65-N69 PolarHBondContact O-ND2 2.86Å; F66-N69 PolarHBondContact O-N 3.03Å; N69-Q71 PolarHBondContact O-N 2.94Å; N69-T72 WeakPolarHBondContact O-CB 3.11Å; N69-T72 PolarHBondContact O-N 3.18Å; N69-Y73 HydrophobicContact CB-CD2 4.25Å; N69-Y73 HydrophobicContact CB-CE2 4.33Å; N69-Y73 VanDerWaalsContact O-CD2 3.27Å; N69-Y73 WeakPolarHBondContact O-CD2 3.28Å; N69-Y73 PolarHBondContact O-N 2.77Å
70T96.9Very high97.6Very high14 Ų1461.1 Ų61.19%0.08630%0.295CS..Hα-helixtrans-52.6-41.3174.7-58.40000112.2F21 F66 K67 T68 R74F21-T70 HydrophobicContact CB-CG2 3.95Å; F21-T70 VanDerWaalsContact CD1-OG1 3.27Å; F21-T70 WeakPolarHBondContact CD1-OG1 3.36Å; F66-T70 PolarHBondContact O-N 3.15Å; F66-T70 PolarHBondContact O-OG1 2.71Å; K67-T70 WeakPolarHBondContact O-CB 3.37Å; K67-T70 PolarHBondContact O-N 3.43Å; T68-T70 PolarHBondContact O-N 3.14Å; T70-R74 WeakPolarHBondContact O-CB 3.43Å; T70-R74 PolarHBondContact O-N 3.27Å
71Q97.1Very high97.5Very high91 Ų9158.9 Ų58.943%0.42528%0.278SS..Hα-helixtrans-70.6-44.7176.1-53.7-54.9-52.200111.7K67 T68 N69 Y73 R74 E75K67-Q71 PolarHBondContact O-N 2.98Å; T68-Q71 PolarHBondContact O-N 2.81Å; N69-Q71 PolarHBondContact O-N 2.94Å; Q71-Y73 VanDerWaalsContact C-N 3.34Å; Q71-Y73 PolarHBondContact O-N 3.41Å; Q71-R74 WeakPolarHBondContact O-CB 3.22Å; Q71-R74 PolarHBondContact O-N 3.49Å; Q71-E75 PolarHBondContact O-N 3.4Å
72T97.1Very high97.5Very high64 Ų6454 Ų5439%0.39327%0.273SS..Hα-helixtrans-59.4-43.5180-56.20000111.9T68 N69 E75 S76T68-T72 PolarHBondContact O-N 3.07Å; T68-T72 PolarHBondContact O-OG1 3.36Å; N69-T72 WeakPolarHBondContact O-CB 3.11Å; N69-T72 PolarHBondContact O-N 3.18Å; T72-E75 PolarHBondContact O-N 2.98Å; T72-S76 WeakPolarHBondContact O-CB 3.28Å; T72-S76 PolarHBondContact O-N 2.9Å; T72-S76 PolarHBondContact O-OG 3.22Å
73Y96.8Very high97.5Very high16 Ų1655.5 Ų55.56%0.06328%0.278CS..Hα-helixtrans-72.9-30.5178.3-81.5-80.8000112.9Y8 A10 F21 N69 Q71 S76 L77 I94 R96Y8-Y73 AromaticContact CD2-CE2 3.71Å; Y8-Y73 HydrophobicContact CD2-CE2 3.71Å; Y8-Y73 AromaticContact CD2-CZ 3.97Å; Y8-Y73 HydrophobicContact CE2-CE2 4.39Å; A10-Y73 HydrophobicContact CB-CD1 3.91Å; A10-Y73 HydrophobicContact CB-CG 3.88Å; F21-Y73 AromaticContact CD2-CD2 3.94Å; F21-Y73 HydrophobicContact CD2-CD2 3.94Å; F21-Y73 HydrophobicContact CD2-CG 4.27Å; F21-Y73 AromaticContact CE2-CD2 3.43Å; F21-Y73 HydrophobicContact CE2-CD2 3.43Å; F21-Y73 VanDerWaalsContact CE2-CD2 3.43Å; F21-Y73 AromaticContact CE2-CE2 3.76Å; F21-Y73 HydrophobicContact CE2-CE2 3.76Å; F21-Y73 HydrophobicContact CE2-CG 4.13Å; F21-Y73 HydrophobicContact CZ-CD2 4.35Å; F21-Y73 HydrophobicContact CZ-CE2 4.45Å; N69-Y73 HydrophobicContact CB-CD2 4.25Å; N69-Y73 HydrophobicContact CB-CE2 4.33Å; N69-Y73 VanDerWaalsContact O-CD2 3.27Å; N69-Y73 WeakPolarHBondContact O-CD2 3.28Å; N69-Y73 PolarHBondContact O-N 2.77Å; Q71-Y73 VanDerWaalsContact C-N 3.34Å; Q71-Y73 PolarHBondContact O-N 3.41Å; Y73-S76 PolarHBondContact O-N 2.83Å; Y73-L77 WeakPolarHBondContact O-CB 3.47Å; Y73-L77 WeakPolarHBondContact O-CG 3.37Å; Y73-L77 PolarHBondContact O-N 2.88Å; Y73-I94 HydrophobicContact CD1-CB 4.07Å; Y73-I94 HydrophobicContact CD1-CD1 4.16Å; Y73-I94 HydrophobicContact CD1-CG2 3.77Å; Y73-I94 HydrophobicContact CE1-CB 4.35Å; Y73-I94 HydrophobicContact CE1-CG2 3.58Å; Y73-R96 WeakPolarHBondContact OH-CB 3.47Å; Y73-R96 WeakPolarHBondContact OH-CD 3.42Å
74R96.4Very high97.4Very high44 Ų4457.9 Ų57.917%0.16629%0.286CS..Hα-helixtrans-60.8-46170.6179.1-171.6-62.7150.75.6111.2E18 P19 T70 Q71 L77 R78E18-R74 WeakPolarHBondContact OE2-CD 3.45Å; E18-R74 IonicContact OE2-CZ 3.29Å; E18-R74 VanDerWaalsContact OE2-CZ 3.32Å; E18-R74 IonicContact OE2-NE 3.83Å; E18-R74 PolarHBondContact OE2-NE 2.91Å; E18-R74 IonicContact OE2-NH2 2.68Å; P19-R74 HydrophobicContact CG-CB 4.4Å; P19-R74 HydrophobicContact CG-CG 4.09Å; T70-R74 WeakPolarHBondContact O-CB 3.43Å; T70-R74 PolarHBondContact O-N 3.27Å; Q71-R74 WeakPolarHBondContact O-CB 3.22Å; Q71-R74 PolarHBondContact O-N 3.49Å; R74-L77 PolarHBondContact O-N 3.23Å; R74-R78 PolarHBondContact O-N 3.21Å
75E97.2Very high97.4Very high118 Ų11859.8 Ų59.855%0.55130%0.299SS*.Hα-helixtrans-65.5-41.3175.3-69.3179.2-177.100111.5Q71 T72 L77 R78 N79Q71-E75 PolarHBondContact O-N 3.4Å; T72-E75 PolarHBondContact O-N 2.98Å; E75-L77 VanDerWaalsContact C-N 3.34Å; E75-L77 PolarHBondContact O-N 2.69Å; E75-R78 WeakPolarHBondContact O-CB 3.18Å; E75-R78 PolarHBondContact O-N 2.84Å; E75-R78 VanDerWaalsContact O-N 3.14Å; E75-N79 PolarHBondContact O-N 2.93Å; E75-N79 PolarHBondContact O-ND2 3.42Å
76S97.6Very high97.4Very high39 Ų3959.5 Ų59.527%0.27330%0.296SS..Hα-helixtrans-60.5-41.9177.2-58.60000112T72 Y73 R78 N79 L80T72-S76 WeakPolarHBondContact O-CB 3.28Å; T72-S76 PolarHBondContact O-N 2.9Å; T72-S76 PolarHBondContact O-OG 3.22Å; Y73-S76 PolarHBondContact O-N 2.83Å; S76-R78 VanDerWaalsContact C-N 3.31Å; S76-R78 PolarHBondContact O-N 3.3Å; S76-N79 PolarHBondContact O-N 3.16Å; S76-L80 WeakPolarHBondContact O-CB 3.39Å; S76-L80 VanDerWaalsContact O-CG 3.31Å; S76-L80 WeakPolarHBondContact O-CG 3.31Å; S76-L80 PolarHBondContact O-N 3.23Å
77L97.9Very high97.2Very high9 Ų963.3 Ų63.35%0.04732%0.323CS..Hα-helixtrans-59.7-40.2174.9-79.8163.4000112A10 P19 Y73 R74 E75 R81 H92 I94 Y117A10-L77 HydrophobicContact CB-CD1 4.22Å; P19-L77 HydrophobicContact CB-CD1 3.6Å; P19-L77 HydrophobicContact CG-CD1 3.83Å; Y73-L77 WeakPolarHBondContact O-CB 3.47Å; Y73-L77 WeakPolarHBondContact O-CG 3.37Å; Y73-L77 PolarHBondContact O-N 2.88Å; R74-L77 PolarHBondContact O-N 3.23Å; E75-L77 VanDerWaalsContact C-N 3.34Å; E75-L77 PolarHBondContact O-N 2.69Å; L77-R81 WeakPolarHBondContact O-CB 3.48Å; L77-R81 PolarHBondContact O-N 2.95Å; L77-R81 VanDerWaalsContact O-N 3.16Å; L77-H92 HydrophobicContact CD2-CB 4.13Å; L77-I94 HydrophobicContact CB-CD1 4.36Å; L77-I94 HydrophobicContact CD2-CD1 3.86Å; L77-I94 HydrophobicContact CD2-CG1 3.72Å; L77-I94 HydrophobicContact CG-CD1 3.67Å; L77-I94 HydrophobicContact CG-CG1 4.08Å; L77-Y117 HydrophobicContact CD2-CE2 4.38Å
78R96.5Very high97Very high135 Ų13565.2 Ų65.251%0.50933%0.334SS..Hα-helixtrans-67.2-42.9176.2-66.9175.1-1751670.7111.7R74 E75 S76 G82R74-R78 PolarHBondContact O-N 3.21Å; E75-R78 WeakPolarHBondContact O-CB 3.18Å; E75-R78 PolarHBondContact O-N 2.84Å; E75-R78 VanDerWaalsContact O-N 3.14Å; S76-R78 VanDerWaalsContact C-N 3.31Å; S76-R78 PolarHBondContact O-N 3.3Å; R78-G82 PolarHBondContact O-N 3.14Å
79N97.2Very high96.8Very high79 Ų7965.7 Ų65.742%0.42235%0.345SS..Hα-helixtrans-64.2-48.2179-70.1-24.1000111.7E75 S76 R81 G82 Y83E75-N79 PolarHBondContact O-N 2.93Å; E75-N79 PolarHBondContact O-ND2 3.42Å; S76-N79 PolarHBondContact O-N 3.16Å; N79-R81 PolarHBondContact O-N 2.86Å; N79-G82 WeakPolarHBondContact O-CA 3.38Å; N79-G82 PolarHBondContact O-N 3.49Å; N79-G82 VanDerWaalsContact O-N 3.08Å; N79-Y83 WeakPolarHBondContact O-CD1 3.46Å; N79-Y83 PolarHBondContact O-N 3.31Å
80L97.8Very high96.6Very high11 Ų1165.8 Ų65.86%0.05835%0.352CS..Hα-helixtrans-61.9-44.4-179.5-70.5174.2000111.6S76 G82 Y83 Y84 I94 Y117 Y122S76-L80 WeakPolarHBondContact O-CB 3.39Å; S76-L80 VanDerWaalsContact O-CG 3.31Å; S76-L80 WeakPolarHBondContact O-CG 3.31Å; S76-L80 PolarHBondContact O-N 3.23Å; L80-G82 PolarHBondContact O-N 3.39Å; L80-Y83 HydrophobicContact CD2-CD2 4.13Å; L80-Y83 PolarHBondContact O-N 3.11Å; L80-Y84 HydrophobicContact CD2-CE2 4.31Å; L80-Y84 VanDerWaalsContact O-CD2 3.28Å; L80-Y84 WeakPolarHBondContact O-CD2 3.29Å; L80-Y84 PolarHBondContact O-N 2.72Å; L80-I94 HydrophobicContact CD1-CD1 3.42Å; L80-I94 VanDerWaalsContact CD1-CD1 3.42Å; L80-I94 HydrophobicContact CD1-CG1 3.55Å; L80-Y117 HydrophobicContact CB-CD1 4.46Å; L80-Y117 HydrophobicContact CB-CD2 4.24Å; L80-Y117 HydrophobicContact CB-CE1 4.08Å; L80-Y117 HydrophobicContact CB-CE2 3.86Å; L80-Y117 HydrophobicContact CD1-CD2 3.45Å; L80-Y117 VanDerWaalsContact CD1-CD2 3.45Å; L80-Y117 HydrophobicContact CD1-CE2 3.79Å; L80-Y117 HydrophobicContact CD1-CG 3.87Å; L80-Y117 HydrophobicContact CG-CD2 4.42Å; L80-Y117 HydrophobicContact CG-CE2 4.48Å; L80-Y122 HydrophobicContact CD2-CD2 4.17Å; L80-Y122 HydrophobicContact CD2-CE1 3.9Å; L80-Y122 HydrophobicContact CD2-CE2 3.41Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.41Å; L80-Y122 VanDerWaalsContact CD2-OH 3.28Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.5Å
81R96.9Very high96.6Very high66 Ų6668.5 Ų68.525%0.24937%0.371CS..Hα-helixtrans-53.7-41.6173.5-174.3-171.265.8-178.910.1111.7L77 N79 N85 Q86 E88L77-R81 WeakPolarHBondContact O-CB 3.48Å; L77-R81 PolarHBondContact O-N 2.95Å; L77-R81 VanDerWaalsContact O-N 3.16Å; N79-R81 PolarHBondContact O-N 2.86Å; R81-N85 PolarHBondContact O-N 3.16Å; R81-N85 VanDerWaalsContact O-N 3.13Å; R81-Q86 HydrophobicContact CG-CB 3.8Å; R81-Q86 WeakPolarHBondContact CG-O 2.91Å; R81-Q86 PolarHBondContact O-N 3.16Å; R81-E88 IonicContact CZ-OE1 3.51Å; R81-E88 VanDerWaalsContact CZ-OE1 3.24Å; R81-E88 VanDerWaalsContact NH1-CG 3.34Å; R81-E88 IonicContact NH1-OE1 3.59Å; R81-E88 PolarHBondContact NH1-OE1 2.84Å; R81-E88 IonicContact NH2-OE1 2.79Å; R81-E88 PolarHBondContact NH2-OE1 3.39Å
82G97.2Very high96.7Very high44 Ų4465 Ų6545%0.45436%0.355SS..Hα-helixtrans-65.1-45.6174.400000113.1R78 N79 L80 Y84 N85R78-G82 PolarHBondContact O-N 3.14Å; N79-G82 WeakPolarHBondContact O-CA 3.38Å; N79-G82 PolarHBondContact O-N 3.49Å; N79-G82 VanDerWaalsContact O-N 3.08Å; L80-G82 PolarHBondContact O-N 3.39Å; G82-Y84 VanDerWaalsContact C-N 3.28Å; G82-Y84 PolarHBondContact O-N 3.48Å; G82-N85 PolarHBondContact O-N 2.87Å
83Y97.8Very high96.8Very high53 Ų5364.6 Ų64.621%0.20835%0.35CS..Hα-helixtrans-61.8-36179.3-62.1-13.4000112.9N79 L80 A138 I141 K145N79-Y83 WeakPolarHBondContact O-CD1 3.46Å; N79-Y83 PolarHBondContact O-N 3.31Å; L80-Y83 HydrophobicContact CD2-CD2 4.13Å; L80-Y83 PolarHBondContact O-N 3.11Å; Y83-A138 HydrophobicContact CD2-CB 4.45Å; Y83-I141 HydrophobicContact CD1-CD1 4.11Å; Y83-I141 HydrophobicContact CE1-CD1 4.4Å; Y83-I141 HydrophobicContact CE1-CG2 4.03Å; Y83-I141 HydrophobicContact CE2-CB 4.25Å; Y83-I141 HydrophobicContact CE2-CG2 4.15Å; Y83-I141 HydrophobicContact CG-CD1 4.21Å; Y83-K145 PolarHBondContact OH-NZ 3.16Å
84Y98Very high96.9Very high66 Ų6664.2 Ų64.226%0.25935%0.349SS..THydrogen-bonded Turntrans-92.44.4179-69.7-72.2000114L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.31Å; L80-Y84 VanDerWaalsContact O-CD2 3.28Å; L80-Y84 WeakPolarHBondContact O-CD2 3.29Å; L80-Y84 PolarHBondContact O-N 2.72Å; G82-Y84 VanDerWaalsContact C-N 3.28Å; G82-Y84 PolarHBondContact O-N 3.48Å; Y84-Q86 PolarHBondContact O-N 2.78Å; Y84-Y117 AromaticContact CD2-CD1 3.65Å; Y84-Y117 HydrophobicContact CD2-CD1 3.65Å; Y84-Y117 AromaticContact CD2-CE1 3.43Å; Y84-Y117 HydrophobicContact CD2-CE1 3.43Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.43Å; Y84-Y117 AromaticContact CE2-CD1 3.41Å; Y84-Y117 HydrophobicContact CE2-CD1 3.41Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.41Å; Y84-Y117 AromaticContact CE2-CE1 3.75Å; Y84-Y117 HydrophobicContact CE2-CE1 3.75Å; Y84-Y117 HydrophobicContact CE2-CG 4.4Å; Y84-Y117 HydrophobicContact CG-CE1 4.31Å; Y84-Y122 HydrophobicContact CE2-CD2 4.35Å; Y84-Y122 HydrophobicContact CE2-CE2 4.04Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.29Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.49Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.23Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.49Å; Y84-D136 VanDerWaalsContact OH-CG 3.27Å; Y84-D136 PolarHBondContact OH-OD1 3.43Å; Y84-D136 PolarHBondContact OH-OD2 3.02Å; Y84-A138 HydrophobicContact CD1-CB 4.25Å; Y84-A138 HydrophobicContact CD2-CB 4.4Å; Y84-A138 HydrophobicContact CE1-CB 3.7Å; Y84-A138 HydrophobicContact CE2-CB 3.87Å; Y84-A138 VanDerWaalsContact CZ-CB 3.5Å
85N97.1Very high97Very high151 Ų15166 Ų6681%0.80736%0.359SS*.THydrogen-bonded Turntrans52.339.5-177.6-56.2-63.5000113.4R81 G82R81-N85 PolarHBondContact O-N 3.16Å; R81-N85 VanDerWaalsContact O-N 3.13Å; G82-N85 PolarHBondContact O-N 2.87Å
86Q97.4Very high97Very high59 Ų5962.7 Ų62.728%0.27634%0.342SS..  trans-88.5154.5-176.2-71.7165.1-33.200112.3R81 Y84 H92 Y117R81-Q86 HydrophobicContact CG-CB 3.8Å; R81-Q86 WeakPolarHBondContact CG-O 2.91Å; R81-Q86 PolarHBondContact O-N 3.16Å; Y84-Q86 PolarHBondContact O-N 2.78Å; Q86-H92 PolarHBondContact NE2-CE1 3.38Å; Q86-H92 PolarHBondContact OE1-CE1 2.88Å; Q86-Y117 PolarHBondContact OE1-OH 2.79Å
87S95.8Very high97.1Very high83 Ų8361.8 Ų61.858%0.5833%0.333SS*.  trans-70.5150.9178.5178.10000112.4A89 G90S87-A89 PolarHBondContact O-N 3.33Å; S87-A89 PolarHBondContact OG-N 3.4Å; S87-G90 PolarHBondContact O-N 2.9Å
88E93.1Very high97.1Very high131 Ų13162.4 Ų62.461%0.61234%0.335SS*.THydrogen-bonded Turntrans-69.7-18.2174.3-51.3-152.8128.500113.8P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.19Å; P14-E88 WeakPolarHBondContact CG-O 3.27Å; R81-E88 IonicContact CZ-OE1 3.51Å; R81-E88 VanDerWaalsContact CZ-OE1 3.24Å; R81-E88 VanDerWaalsContact NH1-CG 3.34Å; R81-E88 IonicContact NH1-OE1 3.59Å; R81-E88 PolarHBondContact NH1-OE1 2.84Å; R81-E88 IonicContact NH2-OE1 2.79Å; R81-E88 PolarHBondContact NH2-OE1 3.39Å; E88-G90 VanDerWaalsContact C-N 3.3Å
89A93.4Very high97.2Very high82 Ų8256 Ų5668%0.67831%0.311SS*.THydrogen-bonded Turntrans-77.9-16.5-179.600000113.1S87S87-A89 PolarHBondContact O-N 3.33Å; S87-A89 PolarHBondContact OG-N 3.4Å
90G93.8Very high97.3Very high26 Ų2652.2 Ų52.227%0.26829%0.291SS..SBendtrans-76137.2-178.900000113P14 S87 E88 H92P14-G90 VanDerWaalsContact CG-O 3.23Å; P14-G90 WeakPolarHBondContact CG-O 3.42Å; S87-G90 PolarHBondContact O-N 2.9Å; E88-G90 VanDerWaalsContact C-N 3.3Å; G90-H92 PolarHBondContact O-CD2 2.95Å; G90-H92 VanDerWaalsContact O-CD2 3.26Å
91S97.3Very high97.3Very high71 Ų7153 Ų5350%0.49730%0.295SS..  trans-83.4135.1164.3179.20000108.8S12S12-S91 WeakPolarHBondContact O-CB 3.38Å; S12-S91 PolarHBondContact O-OG 3.07Å
92H98.3Very high97.4Very high18 Ų1850 Ų508%0.08328%0.284CS..  trans-135.7151.3-175.3-64-73.8000110.3M11 S12 L77 Q86 G90 Y117 D118M11-H92 WeakPolarHBondContact CA-O 3.46Å; S12-H92 PolarHBondContact N-O 3.26Å; S12-H92 PolarHBondContact OG-N 3.18Å; S12-H92 PolarHBondContact OG-O 3.08Å; L77-H92 HydrophobicContact CD2-CB 4.13Å; Q86-H92 PolarHBondContact NE2-CE1 3.38Å; Q86-H92 PolarHBondContact OE1-CE1 2.88Å; G90-H92 PolarHBondContact O-CD2 2.95Å; G90-H92 VanDerWaalsContact O-CD2 3.26Å; H92-Y117 HydrophobicContact CB-CE2 3.83Å; H92-Y117 WeakPolarHBondContact CB-OH 3.37Å; H92-Y117 AromaticContact ND1-CZ 3.93Å; H92-Y117 PolarHBondContact ND1-OH 2.84Å; H92-D118 WeakPolarHBondContact CA-OD1 3.42Å; H92-D118 WeakPolarHBondContact CB-OD1 3.4Å; H92-D118 IonicContact CE1-OD2 2.78Å; H92-D118 IonicContact CG-OD1 3.16Å; H92-D118 IonicContact CG-OD2 3.38Å; H92-D118 IonicContact ND1-OD1 3.4Å; H92-D118 IonicContact ND1-OD2 2.79Å; H92-D118 PolarHBondContact ND1-OD2 3.26Å
93I98.5Very high97.3Very high56 Ų5648.3 Ų48.329%0.28727%0.267SS..EExtended strand (participates in β ladder)trans-125.6131.6-175.7-63.3169000109.7T9 A10 M11 Q95 Y117 D118T9-I93 HydrophobicContact CG2-CG2 4.06Å; A10-I93 CarbonylContact O-C 3.55Å; A10-I93 WeakPolarHBondContact O-CA 3.23Å; M11-I93 HydrophobicContact CB-CG1 4.12Å; M11-I93 HydrophobicContact CG-CD1 4.43Å; M11-I93 HydrophobicContact CG-CG1 3.8Å; M11-I93 HydrophobicContact SD-CD1 4.24Å; M11-I93 HydrophobicContact SD-CG1 4.25Å; I93-Q95 HydrophobicContact CG2-CG 3.85Å; I93-Y117 WeakPolarHBondContact O-CA 3.48Å; I93-Y117 VanDerWaalsContact O-CD2 3.28Å; I93-Y117 WeakPolarHBondContact O-CD2 3.26Å; I93-D118 PolarHBondContact N-OD1 2.79Å; I93-D118 PolarHBondContact O-N 2.85Å
94I98.7Very high97.1Very high8 Ų851.7 Ų51.74%0.04130%0.295CS..EExtended strand (participates in β ladder)trans-107.9133.4162.6-57.9170.6000108T9 A10 Y73 L77 L80 A116 Y117T9-I94 WeakPolarHBondContact CA-O 3.36Å; A10-I94 HydrophobicContact CB-CB 4.45Å; A10-I94 PolarHBondContact N-O 3.3Å; A10-I94 PolarHBondContact O-N 3.06Å; Y73-I94 HydrophobicContact CD1-CB 4.07Å; Y73-I94 HydrophobicContact CD1-CD1 4.16Å; Y73-I94 HydrophobicContact CD1-CG2 3.77Å; Y73-I94 HydrophobicContact CE1-CB 4.35Å; Y73-I94 HydrophobicContact CE1-CG2 3.58Å; L77-I94 HydrophobicContact CB-CD1 4.36Å; L77-I94 HydrophobicContact CD2-CD1 3.86Å; L77-I94 HydrophobicContact CD2-CG1 3.72Å; L77-I94 HydrophobicContact CG-CD1 3.67Å; L77-I94 HydrophobicContact CG-CG1 4.08Å; L80-I94 HydrophobicContact CD1-CD1 3.42Å; L80-I94 VanDerWaalsContact CD1-CD1 3.42Å; L80-I94 HydrophobicContact CD1-CG1 3.55Å; I94-A116 WeakPolarHBondContact CA-O 3.17Å; I94-Y117 HydrophobicContact CG1-CD2 3.83Å; I94-Y117 HydrophobicContact CG1-CE2 4.22Å
95Q98.8Very high96.8Very high81 Ų8153.4 Ų53.438%0.37931%0.308SS..EExtended strand (participates in β ladder)trans-119.3145.3169.9-64.7169.2-85.300109.5Y8 T9 I93 S115 A116Y8-Q95 VanDerWaalsContact O-CA 3.28Å; Y8-Q95 WeakPolarHBondContact O-CA 3.11Å; T9-Q95 HydrophobicContact CG2-CG 4.38Å; I93-Q95 HydrophobicContact CG2-CG 3.85Å; Q95-S115 CarbonylContact O-C 3.5Å; Q95-S115 WeakPolarHBondContact O-CA 3.22Å; Q95-A116 HydrophobicContact CB-CB 4.39Å; Q95-A116 PolarHBondContact N-O 3.18Å; Q95-A116 PolarHBondContact O-N 3.05Å
96R98.6Very high96.5Very high49 Ų4947.2 Ų47.219%0.18528%0.28CS..EExtended strand (participates in β ladder)trans-135137.3170.3-176.9-179.3175.7-167.6-5109.7F7 Y8 Y73 Y98 D113 Q114F7-R96 WeakPolarHBondContact CA-O 3.47Å; Y8-R96 PolarHBondContact N-O 3.46Å; Y8-R96 PolarHBondContact O-N 2.9Å; Y73-R96 WeakPolarHBondContact OH-CB 3.47Å; Y73-R96 WeakPolarHBondContact OH-CD 3.42Å; R96-Y98 HydrophobicContact CG-CD1 4.35Å; R96-D113 IonicContact CZ-OD1 3.69Å; R96-D113 IonicContact NE-OD1 3.81Å; R96-D113 PolarHBondContact NE-OD1 3.44Å; R96-D113 IonicContact NE-OD2 3.32Å; R96-D113 IonicContact NH2-OD1 2.72Å; R96-D113 PolarHBondContact NH2-OD1 3.33Å; R96-D113 IonicContact NH2-OD2 3.75Å; R96-Q114 CarbonylContact C-O 3.44Å; R96-Q114 VanDerWaalsContact CA-O 3.29Å; R96-Q114 WeakPolarHBondContact CA-O 3.43Å; R96-Q114 WeakPolarHBondContact CG-O 3.38Å
97M98.8Very high96.4Very high20 Ų2052.6 Ų52.610%0.09930%0.298CS..EExtended strand (participates in β ladder)trans-123.1128.1168.9-174.9-76.5-68.300108.1R5 Y6 F7 H112 D113 Q114R5-M97 HydrophobicContact CG-SD 4.47Å; R5-M97 PolarHBondContact NH1-SD 3.46Å; R5-M97 VanDerWaalsContact NH1-SD 3.38Å; Y6-M97 WeakPolarHBondContact O-CA 3.49Å; F7-M97 HydrophobicContact CD1-CB 4.04Å; F7-M97 HydrophobicContact CD1-CG 3.67Å; F7-M97 HydrophobicContact CE1-CB 4.18Å; F7-M97 HydrophobicContact CE1-CG 3.38Å; F7-M97 HydrophobicContact CZ-CG 4.06Å; M97-H112 HydrophobicContact CE-CB 3.9Å; M97-H112 HydrophobicContact SD-CB 4.12Å; M97-D113 WeakPolarHBondContact O-CA 3.35Å; M97-Q114 HydrophobicContact CB-CG 4.26Å; M97-Q114 HydrophobicContact CE-CG 3.97Å; M97-Q114 PolarHBondContact N-O 3.44Å; M97-Q114 PolarHBondContact O-N 3.28Å
98Y98.8Very high96.5Very high21 Ų2151.1 Ų51.18%0.08228%0.284CS..EExtended strand (participates in β ladder)trans-145.1157.3172.773.4-84.6000110.8R5 Y6 Y8 R96 H112 D113 Y158R5-Y98 WeakPolarHBondContact CA-O 3.47Å; Y6-Y98 VanDerWaalsContact CB-CE1 3.44Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.48Å; Y6-Y98 AromaticContact CD2-CE2 3.8Å; Y6-Y98 HydrophobicContact CD2-CE2 3.8Å; Y6-Y98 AromaticContact CD2-CZ 3.7Å; Y6-Y98 WeakPolarHBondContact CD2-OH 3.06Å; Y6-Y98 HydrophobicContact CG-CE1 4.21Å; Y6-Y98 HydrophobicContact CG-CE2 4.3Å; Y6-Y98 AromaticContact CG-CZ 3.73Å; Y6-Y98 PolarHBondContact N-O 3.04Å; Y6-Y98 PolarHBondContact O-N 2.98Å; Y6-Y98 VanDerWaalsContact O-N 3.16Å; Y8-Y98 HydrophobicContact CD2-CE1 4.44Å; Y8-Y98 AromaticContact CE1-CE1 3.84Å; Y8-Y98 HydrophobicContact CE1-CE1 3.84Å; Y8-Y98 AromaticContact CE2-CE1 3.78Å; Y8-Y98 HydrophobicContact CE2-CE1 3.78Å; Y8-Y98 AromaticContact CZ-CE1 3.44Å; Y8-Y98 VanDerWaalsContact CZ-CE1 3.44Å; Y8-Y98 AromaticContact CZ-CZ 3.93Å; Y8-Y98 WeakPolarHBondContact OH-CE1 3.25Å; Y8-Y98 PolarHBondContact OH-OH 3.11Å; R96-Y98 HydrophobicContact CG-CD1 4.35Å; Y98-H112 CarbonylContact C-O 3.6Å; Y98-H112 WeakPolarHBondContact CA-O 3.49Å; Y98-H112 VanDerWaalsContact CB-O 3.27Å; Y98-H112 WeakPolarHBondContact CB-O 3.34Å; Y98-D113 VanDerWaalsContact CB-OD1 3.23Å; Y98-D113 WeakPolarHBondContact CB-OD1 3.45Å; Y98-Y158 AromaticContact CD2-CE1 3.8Å; Y98-Y158 HydrophobicContact CD2-CE1 3.8Å; Y98-Y158 AromaticContact CE2-CE1 3.64Å; Y98-Y158 HydrophobicContact CE2-CE1 3.64Å; Y98-Y158 AromaticContact CE2-CZ 3.9Å
99G98.8Very high96.8Very high0 Ų050.8 Ų50.80%029%0.285CS..EExtended strand (participates in β ladder)trans156.4-173-178.500000113.9M4 H112 L159M4-G99 CarbonylContact O-C 3.5Å; M4-G99 WeakPolarHBondContact O-CA 3.25Å; G99-H112 PolarHBondContact N-O 2.97Å; G99-H112 PolarHBondContact O-N 3.48Å; G99-L159 WeakPolarHBondContact O-CD2 3.15Å
100C98.8Very high96.9Very high0 Ų051.7 Ų51.70%027%0.271CS..EExtended strand (participates in β ladder)trans-132.3146.3-172.9510000111.1S3 M4 L108 R110 C163S3-C100 WeakPolarHBondContact CA-O 3.49Å; M4-C100 PolarHBondContact N-O 3.24Å; M4-C100 PolarHBondContact O-N 3.02Å; C100-L108 HydrophobicContact CB-CD1 3.62Å; C100-R110 WeakPolarHBondContact CA-O 3.19Å; C100-C163 HydrophobicContact CB-CB 3.92Å; C100-C163 WeakPolarHBondContact CB-SG 3.04Å; C100-C163 PolarHBondContact N-SG 3.19Å; C100-C163 WeakPolarHBondContact SG-CB 3.19Å; C100-C163 PolarHBondContact SG-O 2.87Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.2Å
101D98.6Very high97.2Very high28 Ų2850.7 Ų50.715%0.1526%0.26CS..EExtended strand (participates in β ladder)trans-110.6134.8172.9-54.6-26.8000108.9H2 S3 R5 L109 R110 H112H2-D101 CarbonylContact O-C 3.58Å; H2-D101 WeakPolarHBondContact O-CA 3.4Å; S3-D101 VanDerWaalsContact CB-OD1 3.23Å; S3-D101 WeakPolarHBondContact CB-OD1 3.34Å; R5-D101 IonicContact CZ-OD1 2.66Å; R5-D101 IonicContact NE-OD1 2.84Å; R5-D101 PolarHBondContact NE-OD1 3.47Å; R5-D101 IonicContact NH2-OD1 2.95Å; R5-D101 PolarHBondContact NH2-OD1 2.62Å; R5-D101 IonicContact NH2-OD2 3.99Å; R5-D101 PolarHBondContact NH2-OD2 2.86Å; R5-D101 VanDerWaalsContact NH2-OD2 3.16Å; D101-L109 PolarHBondContact O-N 3.48Å; D101-R110 HydrophobicContact CB-CB 4.47Å; D101-R110 PolarHBondContact N-O 3.42Å; D101-R110 PolarHBondContact O-N 3Å; D101-H112 IonicContact OD1-NE2 3.77Å; D101-H112 IonicContact OD2-CD2 2.96Å; D101-H112 IonicContact OD2-CE1 3.02Å; D101-H112 IonicContact OD2-NE2 3.02Å; D101-H112 PolarHBondContact OD2-NE2 3.06Å
102L98.2Very high97.2Very high3 Ų348.4 Ų48.42%0.01624%0.242CC..EExtended strand (participates in β ladder)trans-107.2135.9175.3-55.9-177000111.2S1 H2 R107 V164 L167 R168S1-L102 VanDerWaalsContact CA-O 3.25Å; S1-L102 WeakPolarHBondContact CA-O 3.3Å; S1-L102 VanDerWaalsContact CB-O 3.26Å; S1-L102 WeakPolarHBondContact CB-O 3.43Å; H2-L102 PolarHBondContact N-O 2.92Å; H2-L102 VanDerWaalsContact N-O 3.12Å; H2-L102 PolarHBondContact O-N 3.2Å; L102-R107 VanDerWaalsContact CA-O 3.26Å; L102-R107 WeakPolarHBondContact CA-O 3.18Å; L102-V164 HydrophobicContact CD2-CB 4.21Å; L102-V164 HydrophobicContact CD2-CG1 3.76Å; L102-V164 HydrophobicContact CD2-CG2 3.87Å; L102-L167 HydrophobicContact CD1-CB 4.29Å; L102-L167 HydrophobicContact CD1-CD2 3.65Å; L102-L167 HydrophobicContact CD1-CG 3.73Å; L102-L167 HydrophobicContact CG-CD2 3.57Å; L102-L167 HydrophobicContact CG-CG 4.25Å; L102-R168 HydrophobicContact CD1-CG 3.96Å
103G95.8Very high97.2Very high9 Ų947.6 Ų47.69%0.09324%0.238CC..  trans-67.5173.516700000112.3D105 G106 R107G103-D105 PolarHBondContact O-N 2.76Å; G103-G106 WeakPolarHBondContact O-CA 3.37Å; G103-G106 PolarHBondContact O-N 3.12Å; G103-R107 PolarHBondContact N-O 3.27Å
104P91.9Very high97.3Very high123 Ų12349 Ų4980%0.79924%0.243SC*.THydrogen-bonded Turntrans-60-24.9175.9-23.234.3000114.1G106P104-G106 PolarHBondContact O-N 2.04Å
105D92.7Very high97.3Very high102 Ų10249.3 Ų49.355%0.54525%0.247SC..THydrogen-bonded Turntrans-80.42.5174.568.3-13.7000113.2G103 R107G103-D105 PolarHBondContact O-N 2.76Å; D105-R107 PolarHBondContact O-N 3.21Å; D105-R107 WeakPolarHBondContact OD1-CB 3.33Å; D105-R107 PolarHBondContact OD1-N 3.45Å; D105-R107 WeakPolarHBondContact OD2-CD 3.46Å; D105-R107 WeakPolarHBondContact OD2-CG 3.13Å; D105-R107 IonicContact OD2-NE 3.66Å
106G91.4Very high97.3Very high21 Ų2146.2 Ų46.222%0.21624%0.235CC..SBendtrans72.28.5-178.700000114G103 P104 R168G103-G106 WeakPolarHBondContact O-CA 3.37Å; G103-G106 PolarHBondContact O-N 3.12Å; P104-G106 PolarHBondContact O-N 2.04Å; G106-R168 VanDerWaalsContact O-CZ 3.25Å; G106-R168 PolarHBondContact O-NE 3.19Å; G106-R168 PolarHBondContact O-NH2 2.87Å
107R95.8Very high97.3Very high172 Ų17244.4 Ų44.465%0.64923%0.228SC*.SBendtrans-86.4155.3176.8-63.3-173.4-179.2165.3-2.8111.1L102 G103 D105 L109L102-R107 VanDerWaalsContact CA-O 3.26Å; L102-R107 WeakPolarHBondContact CA-O 3.18Å; G103-R107 PolarHBondContact N-O 3.27Å; D105-R107 PolarHBondContact O-N 3.21Å; D105-R107 WeakPolarHBondContact OD1-CB 3.33Å; D105-R107 PolarHBondContact OD1-N 3.45Å; D105-R107 WeakPolarHBondContact OD2-CD 3.46Å; D105-R107 WeakPolarHBondContact OD2-CG 3.13Å; D105-R107 IonicContact OD2-NE 3.66Å; R107-L109 PolarHBondContact O-N 3.4Å; R107-L109 VanDerWaalsContact O-N 3.14Å
108L97.9Very high97.2Very high53 Ų5346.6 Ų46.628%0.27724%0.24SC..EExtended strand (participates in β ladder)trans-58.7119.2174.8-176.871.4000109.3C100 R110 L129 E160 V164C100-L108 HydrophobicContact CB-CD1 3.62Å; L108-R110 WeakPolarHBondContact CD1-O 3.41Å; L108-L129 HydrophobicContact CD2-CD1 4.28Å; L108-E160 HydrophobicContact CD2-CB 4.38Å; L108-E160 HydrophobicContact CD2-CG 3.66Å; L108-V164 HydrophobicContact CB-CG2 4.05Å; L108-V164 HydrophobicContact CD1-CG2 3.99Å
109L97.6Very high97.2Very high124 Ų12448.4 Ų48.465%0.64927%0.265SS*.EExtended strand (participates in β ladder)trans-90.2-44.5170.9-179.463.5000110.2D101 R107D101-L109 PolarHBondContact O-N 3.48Å; R107-L109 PolarHBondContact O-N 3.4Å; R107-L109 VanDerWaalsContact O-N 3.14Å
110R97.3Very high97.2Very high101 Ų10156 Ų5638%0.38130%0.298SS..EExtended strand (participates in β ladder)trans-156.9141.4-177.2-173.4172174.7143.18.1111.5C100 D101 L108 H112 E127C100-R110 WeakPolarHBondContact CA-O 3.19Å; D101-R110 HydrophobicContact CB-CB 4.47Å; D101-R110 PolarHBondContact N-O 3.42Å; D101-R110 PolarHBondContact O-N 3Å; L108-R110 WeakPolarHBondContact CD1-O 3.41Å; R110-H112 WeakPolarHBondContact CD-CE1 3.28Å; R110-H112 PolarHBondContact NE-CE1 3.46Å; R110-E127 VanDerWaalsContact CZ-CD 3.47Å; R110-E127 IonicContact CZ-OE1 2.79Å; R110-E127 IonicContact NE-OE1 3.83Å; R110-E127 IonicContact NH1-OE1 3.92Å; R110-E127 PolarHBondContact NH1-OE1 2.71Å; R110-E127 VanDerWaalsContact NH2-CG 3.31Å; R110-E127 IonicContact NH2-OE1 2.71Å; R110-E127 PolarHBondContact NH2-OE1 2.87Å
111G98.4Very high97.2Very high4 Ų462.1 Ų62.14%0.04133%0.331CS..EExtended strand (participates in β ladder)trans-105.5151.9167.100000111.1
112H98.5Very high97.2Very high23 Ų2361.4 Ų61.411%0.10633%0.326CS..EExtended strand (participates in β ladder)trans-134138.5-179.2-55.9-94.4000110.1R5 M97 Y98 G99 D101 R110R5-H112 PolarHBondContact NH2-CD2 3.43Å; R5-H112 PolarHBondContact NH2-NE2 2.93Å; R5-H112 VanDerWaalsContact NH2-NE2 3.11Å; M97-H112 HydrophobicContact CE-CB 3.9Å; M97-H112 HydrophobicContact SD-CB 4.12Å; Y98-H112 CarbonylContact C-O 3.6Å; Y98-H112 WeakPolarHBondContact CA-O 3.49Å; Y98-H112 VanDerWaalsContact CB-O 3.27Å; Y98-H112 WeakPolarHBondContact CB-O 3.34Å; G99-H112 PolarHBondContact N-O 2.97Å; G99-H112 PolarHBondContact O-N 3.48Å; D101-H112 IonicContact OD1-NE2 3.77Å; D101-H112 IonicContact OD2-CD2 2.96Å; D101-H112 IonicContact OD2-CE1 3.02Å; D101-H112 IonicContact OD2-NE2 3.02Å; D101-H112 PolarHBondContact OD2-NE2 3.06Å; R110-H112 WeakPolarHBondContact CD-CE1 3.28Å; R110-H112 PolarHBondContact NE-CE1 3.46Å
113D98.7Very high97.2Very high2 Ų261.4 Ų61.41%0.01133%0.326CS..EExtended strand (participates in β ladder)trans-152.8111.8162.5-173.680.9000108.4R96 M97 Y98 L125 L155R96-D113 IonicContact CZ-OD1 3.69Å; R96-D113 IonicContact NE-OD1 3.81Å; R96-D113 PolarHBondContact NE-OD1 3.44Å; R96-D113 IonicContact NE-OD2 3.32Å; R96-D113 IonicContact NH2-OD1 2.72Å; R96-D113 PolarHBondContact NH2-OD1 3.33Å; R96-D113 IonicContact NH2-OD2 3.75Å; M97-D113 WeakPolarHBondContact O-CA 3.35Å; Y98-D113 VanDerWaalsContact CB-OD1 3.23Å; Y98-D113 WeakPolarHBondContact CB-OD1 3.45Å; D113-L125 HydrophobicContact CB-CB 3.94Å; D113-L125 HydrophobicContact CB-CD2 4.17Å; D113-L125 WeakPolarHBondContact O-CB 3.26Å; D113-L125 PolarHBondContact O-N 2.92Å; D113-L155 HydrophobicContact CB-CD1 4.18Å
114Q98.8Very high97.4Very high84 Ų8462.3 Ų62.339%0.39333%0.333SS..EExtended strand (participates in β ladder)trans-143.9146.5-178.265.6-169.217.600111R96 M97 I123 A124R96-Q114 CarbonylContact C-O 3.44Å; R96-Q114 VanDerWaalsContact CA-O 3.29Å; R96-Q114 WeakPolarHBondContact CA-O 3.43Å; R96-Q114 WeakPolarHBondContact CG-O 3.38Å; M97-Q114 HydrophobicContact CB-CG 4.26Å; M97-Q114 HydrophobicContact CE-CG 3.97Å; M97-Q114 PolarHBondContact N-O 3.44Å; M97-Q114 PolarHBondContact O-N 3.28Å; Q114-I123 WeakPolarHBondContact CA-O 3.24Å; Q114-A124 HydrophobicContact CB-CB 3.83Å
115S98.8Very high97.7Very high16 Ų1657 Ų5711%0.11230%0.298CS..EExtended strand (participates in β ladder)trans-128.8146.7-179.2-56.50000111Q95 Y122 I123Q95-S115 CarbonylContact O-C 3.5Å; Q95-S115 WeakPolarHBondContact O-CA 3.22Å; S115-Y122 WeakPolarHBondContact O-CA 3.23Å; S115-Y122 WeakPolarHBondContact O-CB 3.47Å; S115-Y122 PolarHBondContact O-N 2.85Å; S115-I123 PolarHBondContact N-O 2.82Å; S115-I123 PolarHBondContact O-N 3.45Å
116A98.8Very high98Very high15 Ų1554.2 Ų54.212%0.12428%0.283CS..EExtended strand (participates in β ladder)trans-125.4149.8176.500000110.4I94 Q95 K120I94-A116 WeakPolarHBondContact CA-O 3.17Å; Q95-A116 HydrophobicContact CB-CB 4.39Å; Q95-A116 PolarHBondContact N-O 3.18Å; Q95-A116 PolarHBondContact O-N 3.05Å; A116-K120 CarbonylContact C-O 3.54Å; A116-K120 WeakPolarHBondContact CA-O 3.27Å; A116-K120 WeakPolarHBondContact CB-O 3.45Å
117Y98.8Very high98.3Very high11 Ų1159.5 Ų59.54%0.04330%0.302CS..EExtended strand (participates in β ladder)trans-126126.6174.9-173.7-123.1000110L77 L80 Y84 Q86 H92 I93 I94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.38Å; L80-Y117 HydrophobicContact CB-CD1 4.46Å; L80-Y117 HydrophobicContact CB-CD2 4.24Å; L80-Y117 HydrophobicContact CB-CE1 4.08Å; L80-Y117 HydrophobicContact CB-CE2 3.86Å; L80-Y117 HydrophobicContact CD1-CD2 3.45Å; L80-Y117 VanDerWaalsContact CD1-CD2 3.45Å; L80-Y117 HydrophobicContact CD1-CE2 3.79Å; L80-Y117 HydrophobicContact CD1-CG 3.87Å; L80-Y117 HydrophobicContact CG-CD2 4.42Å; L80-Y117 HydrophobicContact CG-CE2 4.48Å; Y84-Y117 AromaticContact CD2-CD1 3.65Å; Y84-Y117 HydrophobicContact CD2-CD1 3.65Å; Y84-Y117 AromaticContact CD2-CE1 3.43Å; Y84-Y117 HydrophobicContact CD2-CE1 3.43Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.43Å; Y84-Y117 AromaticContact CE2-CD1 3.41Å; Y84-Y117 HydrophobicContact CE2-CD1 3.41Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.41Å; Y84-Y117 AromaticContact CE2-CE1 3.75Å; Y84-Y117 HydrophobicContact CE2-CE1 3.75Å; Y84-Y117 HydrophobicContact CE2-CG 4.4Å; Y84-Y117 HydrophobicContact CG-CE1 4.31Å; Q86-Y117 PolarHBondContact OE1-OH 2.79Å; H92-Y117 HydrophobicContact CB-CE2 3.83Å; H92-Y117 WeakPolarHBondContact CB-OH 3.37Å; H92-Y117 AromaticContact ND1-CZ 3.93Å; H92-Y117 PolarHBondContact ND1-OH 2.84Å; I93-Y117 WeakPolarHBondContact O-CA 3.48Å; I93-Y117 VanDerWaalsContact O-CD2 3.28Å; I93-Y117 WeakPolarHBondContact O-CD2 3.26Å; I94-Y117 HydrophobicContact CG1-CD2 3.83Å; I94-Y117 HydrophobicContact CG1-CE2 4.22Å; Y117-G119 PolarHBondContact O-N 2.84Å; Y117-K120 PolarHBondContact N-O 3.01Å; Y117-K120 PolarHBondContact O-N 2.85Å
118D98.3Very high98.4Very high66 Ų6655.1 Ų55.135%0.35329%0.291SS..THydrogen-bonded Turntrans48.941-175.6-65.2-20.9000113.2H92 I93 K120H92-D118 WeakPolarHBondContact CA-OD1 3.42Å; H92-D118 WeakPolarHBondContact CB-OD1 3.4Å; H92-D118 IonicContact CE1-OD2 2.78Å; H92-D118 IonicContact CG-OD1 3.16Å; H92-D118 IonicContact CG-OD2 3.38Å; H92-D118 IonicContact ND1-OD1 3.4Å; H92-D118 IonicContact ND1-OD2 2.79Å; H92-D118 PolarHBondContact ND1-OD2 3.26Å; I93-D118 PolarHBondContact N-OD1 2.79Å; I93-D118 PolarHBondContact O-N 2.85Å; D118-K120 VanDerWaalsContact C-N 3.32Å; D118-K120 PolarHBondContact O-N 2.85Å
119G97.8Very high98.4Very high59 Ų5953 Ų5361%0.60828%0.28SS*.THydrogen-bonded Turntrans78.75.9177.400000115.4Y117Y117-G119 PolarHBondContact O-N 2.84Å
120K98.6Very high98.4Very high159 Ų15950.4 Ų50.469%0.69127%0.272SS*.EExtended strand (participates in β ladder)trans-113.1145.3176.1-63.2-179.2-178.6178.50110.9A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.54Å; A116-K120 WeakPolarHBondContact CA-O 3.27Å; A116-K120 WeakPolarHBondContact CB-O 3.45Å; Y117-K120 PolarHBondContact N-O 3.01Å; Y117-K120 PolarHBondContact O-N 2.85Å; D118-K120 VanDerWaalsContact C-N 3.32Å; D118-K120 PolarHBondContact O-N 2.85Å; K120-Y122 PolarHBondContact O-N 3.21Å
121D98.8Very high98.5Very high130 Ų13047.4 Ų47.470%0.69527%0.267SS*.EExtended strand (participates in β ladder)trans-53136173.7-68.2-20.3000110.7A135D121-A135 HydrophobicContact CB-CB 4.47Å; D121-A135 WeakPolarHBondContact O-CB 3.33Å
122Y98.8Very high98.5Very high12 Ų1247.9 Ų47.95%0.04727%0.268CS..EExtended strand (participates in β ladder)trans-115.1-61.9179.9180-105.5000110.3L80 Y84 S115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD2 4.17Å; L80-Y122 HydrophobicContact CD2-CE1 3.9Å; L80-Y122 HydrophobicContact CD2-CE2 3.41Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.41Å; L80-Y122 VanDerWaalsContact CD2-OH 3.28Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.5Å; Y84-Y122 HydrophobicContact CE2-CD2 4.35Å; Y84-Y122 HydrophobicContact CE2-CE2 4.04Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.29Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.49Å; S115-Y122 WeakPolarHBondContact O-CA 3.23Å; S115-Y122 WeakPolarHBondContact O-CB 3.47Å; S115-Y122 PolarHBondContact O-N 2.85Å; K120-Y122 PolarHBondContact O-N 3.21Å; Y122-A135 WeakPolarHBondContact O-CB 3.35Å; Y122-A135 PolarHBondContact O-N 3.39Å; Y122-A138 HydrophobicContact CE2-CB 4.36Å; Y122-A138 PolarHBondContact OH-O 2.91Å; Y122-A139 HydrophobicContact CD1-CB 4.46Å; Y122-A139 HydrophobicContact CD2-CB 3.89Å; Y122-A139 HydrophobicContact CE1-CB 4.32Å; Y122-A139 HydrophobicContact CE2-CB 3.74Å; Y122-A139 HydrophobicContact CG-CB 4.25Å; Y122-A139 VanDerWaalsContact CZ-CA 3.47Å; Y122-A139 WeakPolarHBondContact O-CB 3.33Å; Y122-T142 HydrophobicContact CE1-CG2 4.22Å; Y122-T142 PolarHBondContact OH-OG1 2.71Å
123I98.8Very high98.5Very high4 Ų450.5 Ų50.52%0.02129%0.286CS..EExtended strand (participates in β ladder)trans-150141.2179.2-160.6172000110.4Q114 S115 W132 T133 T142 Q143 W146Q114-I123 WeakPolarHBondContact CA-O 3.24Å; S115-I123 PolarHBondContact N-O 2.82Å; S115-I123 PolarHBondContact O-N 3.45Å; I123-W132 HydrophobicContact CD1-CB 4.35Å; I123-W132 HydrophobicContact CD1-CD2 4.39Å; I123-W132 HydrophobicContact CD1-CE3 4.17Å; I123-W132 HydrophobicContact CD1-CG 4.49Å; I123-W132 HydrophobicContact CG1-CB 4.41Å; I123-W132 HydrophobicContact CG1-CE3 4.01Å; I123-T133 WeakPolarHBondContact CA-O 3.15Å; I123-T142 HydrophobicContact CD1-CG2 4.09Å; I123-Q143 HydrophobicContact CD1-CB 3.93Å; I123-W146 HydrophobicContact CD1-CE3 4.1Å; I123-W146 HydrophobicContact CD1-CZ3 4.38Å; I123-W146 HydrophobicContact CG2-CH2 4.12Å; I123-W146 HydrophobicContact CG2-CZ3 3.79Å
124A98.8Very high98.5Very high27 Ų2751.5 Ų51.522%0.22329%0.294CS..EExtended strand (participates in β ladder)trans-134.6138.9178.200000111.6Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.83Å; A124-W132 CarbonylContact O-C 3.52Å; A124-W132 WeakPolarHBondContact O-CA 3.3Å; A124-T133 PolarHBondContact N-O 2.95Å; A124-T133 PolarHBondContact O-N 3.33Å
125L98.9Very high98.5Very high13 Ų1350.4 Ų50.47%0.06830%0.299CS..EExtended strand (participates in β ladder)trans-71.9126.7168-175.668.2000108.2D113 L129 W132 A152 L155 L159D113-L125 HydrophobicContact CB-CB 3.94Å; D113-L125 HydrophobicContact CB-CD2 4.17Å; D113-L125 WeakPolarHBondContact O-CB 3.26Å; D113-L125 PolarHBondContact O-N 2.92Å; L125-L129 HydrophobicContact CD2-CB 4.45Å; L125-L129 HydrophobicContact CD2-CD2 3.78Å; L125-L129 HydrophobicContact CG-CD2 4.33Å; L125-W132 HydrophobicContact CB-CE3 4.05Å; L125-W132 HydrophobicContact CB-CH2 4.09Å; L125-W132 HydrophobicContact CB-CZ3 3.64Å; L125-W132 HydrophobicContact CD1-CD2 4.26Å; L125-W132 HydrophobicContact CD1-CE3 4.31Å; L125-W132 HydrophobicContact CD1-CH2 4.01Å; L125-W132 HydrophobicContact CD1-CZ2 3.94Å; L125-W132 HydrophobicContact CD1-CZ3 4.18Å; L125-W132 HydrophobicContact CG-CZ3 4.5Å; L125-A152 HydrophobicContact CD1-CB 3.92Å; L125-L155 HydrophobicContact CD2-CB 4.13Å; L125-L155 HydrophobicContact CD2-CD1 4.34Å; L125-L159 HydrophobicContact CD2-CD1 3.95Å
126N98.7Very high98.5Very high43 Ų4352.2 Ų52.223%0.2331%0.307CS..  trans-70.3163.3179.6-67.8-29.4000111.1D128 L129 S131 T133N126-D128 PolarHBondContact O-N 3.46Å; N126-L129 PolarHBondContact O-N 2.88Å; N126-S131 WeakPolarHBondContact CB-O 3.35Å; N126-S131 WeakPolarHBondContact CB-OG 3.47Å; N126-S131 PolarHBondContact N-O 3.49Å; N126-S131 PolarHBondContact ND2-OG 3.42Å; N126-T133 PolarHBondContact ND2-OG1 2.88Å; N126-T133 WeakPolarHBondContact OD1-CB 3.25Å; N126-T133 PolarHBondContact OD1-OG1 2.9Å
127E97.8Very high98.5Very high132 Ų13256.6 Ų56.662%0.61733%0.333SS*.THydrogen-bonded Turntrans-59-22.1-178.9-67.2-179.1-167.700113.6R110 L129R110-E127 VanDerWaalsContact CZ-CD 3.47Å; R110-E127 IonicContact CZ-OE1 2.79Å; R110-E127 IonicContact NE-OE1 3.83Å; R110-E127 IonicContact NH1-OE1 3.92Å; R110-E127 PolarHBondContact NH1-OE1 2.71Å; R110-E127 VanDerWaalsContact NH2-CG 3.31Å; R110-E127 IonicContact NH2-OE1 2.71Å; R110-E127 PolarHBondContact NH2-OE1 2.87Å; E127-L129 PolarHBondContact O-N 2.75Å
128D97.9Very high98.4Very high79 Ų7956.3 Ų56.342%0.42233%0.333SS..THydrogen-bonded Turntrans-71-8174.667.922.9000114.1N126 S130 S131N126-D128 PolarHBondContact O-N 3.46Å; D128-S130 PolarHBondContact O-N 3.04Å; D128-S130 WeakPolarHBondContact OD1-CA 3.48Å; D128-S130 PolarHBondContact OD1-N 2.72Å; D128-S130 PolarHBondContact OD1-OG 2.9Å; D128-S130 PolarHBondContact OD2-OG 3.39Å; D128-S131 VanDerWaalsContact CG-OG 3.28Å; D128-S131 PolarHBondContact OD1-N 2.92Å; D128-S131 PolarHBondContact OD1-OG 3.49Å; D128-S131 WeakPolarHBondContact OD2-CB 3.27Å; D128-S131 PolarHBondContact OD2-OG 2.93Å
129L98.3Very high98.4Very high8 Ų853.1 Ų53.14%0.04232%0.316CS..SBendtrans53.829.5-177-51.6-177.6000113.9L108 L125 N126 E127 R156 L159 E160L108-L129 HydrophobicContact CD2-CD1 4.28Å; L125-L129 HydrophobicContact CD2-CB 4.45Å; L125-L129 HydrophobicContact CD2-CD2 3.78Å; L125-L129 HydrophobicContact CG-CD2 4.33Å; N126-L129 PolarHBondContact O-N 2.88Å; E127-L129 PolarHBondContact O-N 2.75Å; L129-R156 HydrophobicContact CB-CB 4.1Å; L129-R156 HydrophobicContact CB-CG 3.97Å; L129-R156 HydrophobicContact CD1-CG 4.36Å; L129-L159 HydrophobicContact CD1-CB 4.48Å; L129-L159 HydrophobicContact CD2-CD1 3.97Å; L129-E160 HydrophobicContact CD1-CG 4.2Å
130S98.1Very high98.5Very high70 Ų7053.9 Ų53.949%0.4930%0.303SS..SBendtrans-140.3-24.6-174.869.30000113.7D128D128-S130 PolarHBondContact O-N 3.04Å; D128-S130 WeakPolarHBondContact OD1-CA 3.48Å; D128-S130 PolarHBondContact OD1-N 2.72Å; D128-S130 PolarHBondContact OD1-OG 2.9Å; D128-S130 PolarHBondContact OD2-OG 3.39Å
131S98.3Very high98.5Very high39 Ų3949.1 Ų49.127%0.27329%0.285SS..  trans-122164.5-178.570.90000112.3N126 D128N126-S131 WeakPolarHBondContact CB-O 3.35Å; N126-S131 WeakPolarHBondContact CB-OG 3.47Å; N126-S131 PolarHBondContact N-O 3.49Å; N126-S131 PolarHBondContact ND2-OG 3.42Å; D128-S131 VanDerWaalsContact CG-OG 3.28Å; D128-S131 PolarHBondContact OD1-N 2.92Å; D128-S131 PolarHBondContact OD1-OG 3.49Å; D128-S131 WeakPolarHBondContact OD2-CB 3.27Å; D128-S131 PolarHBondContact OD2-OG 2.93Å
132W98.8Very high98.5Very high13 Ų1343.8 Ų43.85%0.04926%0.257CS..EExtended strand (participates in β ladder)trans-121144.7-174.8-61.395.1000111.6I123 A124 L125 Q143 W146 V151 A152 L155I123-W132 HydrophobicContact CD1-CB 4.35Å; I123-W132 HydrophobicContact CD1-CD2 4.39Å; I123-W132 HydrophobicContact CD1-CE3 4.17Å; I123-W132 HydrophobicContact CD1-CG 4.49Å; I123-W132 HydrophobicContact CG1-CB 4.41Å; I123-W132 HydrophobicContact CG1-CE3 4.01Å; A124-W132 CarbonylContact O-C 3.52Å; A124-W132 WeakPolarHBondContact O-CA 3.3Å; L125-W132 HydrophobicContact CB-CE3 4.05Å; L125-W132 HydrophobicContact CB-CH2 4.09Å; L125-W132 HydrophobicContact CB-CZ3 3.64Å; L125-W132 HydrophobicContact CD1-CD2 4.26Å; L125-W132 HydrophobicContact CD1-CE3 4.31Å; L125-W132 HydrophobicContact CD1-CH2 4.01Å; L125-W132 HydrophobicContact CD1-CZ2 3.94Å; L125-W132 HydrophobicContact CD1-CZ3 4.18Å; L125-W132 HydrophobicContact CG-CZ3 4.5Å; W132-Q143 HydrophobicContact CB-CG 4.04Å; W132-W146 AromaticContact CD2-CE3 3.99Å; W132-W146 HydrophobicContact CD2-CE3 3.99Å; W132-W146 AromaticContact CE2-CE3 3.76Å; W132-W146 AromaticContact CE3-CE3 3.84Å; W132-W146 HydrophobicContact CE3-CE3 3.84Å; W132-W146 AromaticContact CE3-CZ3 3.94Å; W132-W146 HydrophobicContact CE3-CZ3 3.94Å; W132-W146 HydrophobicContact CH2-CD2 4.38Å; W132-W146 AromaticContact CH2-CE3 3.22Å; W132-W146 HydrophobicContact CH2-CE3 3.22Å; W132-W146 HydrophobicContact CH2-CH2 4.4Å; W132-W146 AromaticContact CH2-CZ3 3.23Å; W132-W146 HydrophobicContact CH2-CZ3 3.23Å; W132-W146 HydrophobicContact CZ2-CD2 4.29Å; W132-W146 AromaticContact CZ2-CE3 3.39Å; W132-W146 HydrophobicContact CZ2-CE3 3.39Å; W132-W146 AromaticContact CZ2-CZ3 3.94Å; W132-W146 HydrophobicContact CZ2-CZ3 3.94Å; W132-W146 AromaticContact CZ3-CE3 3.49Å; W132-W146 HydrophobicContact CZ3-CE3 3.49Å; W132-W146 VanDerWaalsContact CZ3-CE3 3.49Å; W132-W146 AromaticContact CZ3-CZ3 3.27Å; W132-W146 HydrophobicContact CZ3-CZ3 3.27Å; W132-V151 HydrophobicContact CZ2-CB 4.3Å; W132-V151 HydrophobicContact CZ2-CG1 4.08Å; W132-A152 HydrophobicContact CZ2-CB 4.22Å; W132-L155 HydrophobicContact CH2-CD1 3.37Å; W132-L155 HydrophobicContact CZ2-CD1 3.87Å; W132-L155 HydrophobicContact CZ3-CD1 4.47Å
133T98.8Very high98.5Very high79 Ų7945 Ų4549%0.48526%0.263SS..EExtended strand (participates in β ladder)trans-106.6116163.6-660000108.9I123 A124 N126I123-T133 WeakPolarHBondContact CA-O 3.15Å; A124-T133 PolarHBondContact N-O 2.95Å; A124-T133 PolarHBondContact O-N 3.33Å; N126-T133 PolarHBondContact ND2-OG1 2.88Å; N126-T133 WeakPolarHBondContact OD1-CB 3.25Å; N126-T133 PolarHBondContact OD1-OG1 2.9Å
134A98.7Very high98.5Very high23 Ų2352.1 Ų52.119%0.1929%0.29CS..EExtended strand (participates in β ladder)trans-96.7131.1175.200000110.3A139 Q140 Q143A134-A139 HydrophobicContact CB-CB 3.73Å; A134-Q140 HydrophobicContact CB-CG 3.94Å; A134-Q143 HydrophobicContact CB-CB 4.43Å
135A98.6Very high98.4Very high60 Ų6056.1 Ų56.150%0.49630%0.302SS..SBendtrans-73.4-31.2-175.200000113.3D121 Y122D121-A135 HydrophobicContact CB-CB 4.47Å; D121-A135 WeakPolarHBondContact O-CB 3.33Å; Y122-A135 WeakPolarHBondContact O-CB 3.35Å; Y122-A135 PolarHBondContact O-N 3.39Å
136D98.4Very high98.4Very high54 Ų5458.7 Ų58.729%0.28931%0.311SS..SBendtrans-152.1-175.2-178.266.329.1000112.9Y84 A138 A139 Q140Y84-D136 VanDerWaalsContact CE1-OD2 3.23Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.49Å; Y84-D136 VanDerWaalsContact OH-CG 3.27Å; Y84-D136 PolarHBondContact OH-OD1 3.43Å; Y84-D136 PolarHBondContact OH-OD2 3.02Å; D136-A138 VanDerWaalsContact C-N 3.29Å; D136-A138 PolarHBondContact O-N 2.81Å; D136-A138 WeakPolarHBondContact OD1-CA 3.18Å; D136-A138 WeakPolarHBondContact OD1-CB 3.27Å; D136-A138 PolarHBondContact OD1-N 3.49Å; D136-A139 PolarHBondContact O-N 3.25Å; D136-A139 PolarHBondContact OD1-N 3.17Å; D136-Q140 WeakPolarHBondContact O-CG 3.44Å; D136-Q140 PolarHBondContact O-N 2.85Å
137T98.3Very high98.4Very high108 Ų10861.1 Ų61.166%0.66332%0.321SS*.Hα-helixtrans-65.6-27.4-179.551.40000113.9
138A98.1Very high98.4Very high4 Ų459.1 Ų59.13%0.03333%0.327CS..Hα-helixtrans-72.4-44.8174.900000110Y83 Y84 Y122 D136 Q140 I141Y83-A138 HydrophobicContact CD2-CB 4.45Å; Y84-A138 HydrophobicContact CD1-CB 4.25Å; Y84-A138 HydrophobicContact CD2-CB 4.4Å; Y84-A138 HydrophobicContact CE1-CB 3.7Å; Y84-A138 HydrophobicContact CE2-CB 3.87Å; Y84-A138 VanDerWaalsContact CZ-CB 3.5Å; Y122-A138 HydrophobicContact CE2-CB 4.36Å; Y122-A138 PolarHBondContact OH-O 2.91Å; D136-A138 VanDerWaalsContact C-N 3.29Å; D136-A138 PolarHBondContact O-N 2.81Å; D136-A138 WeakPolarHBondContact OD1-CA 3.18Å; D136-A138 WeakPolarHBondContact OD1-CB 3.27Å; D136-A138 PolarHBondContact OD1-N 3.49Å; A138-Q140 VanDerWaalsContact C-N 3.27Å; A138-Q140 PolarHBondContact O-N 3.24Å; A138-I141 VanDerWaalsContact O-CB 3.27Å; A138-I141 WeakPolarHBondContact O-CB 3.38Å; A138-I141 PolarHBondContact O-N 2.96Å
139A98.5Very high98.5Very high0 Ų058 Ų580%033%0.329CS..Hα-helixtrans-59.9-34.817400000113.2Y122 A134 D136 I141 T142 Q143Y122-A139 HydrophobicContact CD1-CB 4.46Å; Y122-A139 HydrophobicContact CD2-CB 3.89Å; Y122-A139 HydrophobicContact CE1-CB 4.32Å; Y122-A139 HydrophobicContact CE2-CB 3.74Å; Y122-A139 HydrophobicContact CG-CB 4.25Å; Y122-A139 VanDerWaalsContact CZ-CA 3.47Å; Y122-A139 WeakPolarHBondContact O-CB 3.33Å; A134-A139 HydrophobicContact CB-CB 3.73Å; D136-A139 PolarHBondContact O-N 3.25Å; D136-A139 PolarHBondContact OD1-N 3.17Å; A139-I141 PolarHBondContact O-N 3.27Å; A139-T142 WeakPolarHBondContact O-CA 3.44Å; A139-T142 WeakPolarHBondContact O-CB 3.41Å; A139-T142 PolarHBondContact O-N 3.09Å; A139-Q143 PolarHBondContact O-N 3.38Å
140Q98.7Very high98.5Very high75 Ų7565.1 Ų65.135%0.3536%0.355SS..Hα-helixtrans-60.3-28.4173.4-73.417410.100113.1A134 D136 A138 Q143 R144A134-Q140 HydrophobicContact CB-CG 3.94Å; D136-Q140 WeakPolarHBondContact O-CG 3.44Å; D136-Q140 PolarHBondContact O-N 2.85Å; A138-Q140 VanDerWaalsContact C-N 3.27Å; A138-Q140 PolarHBondContact O-N 3.24Å; Q140-Q143 PolarHBondContact O-N 3.43Å; Q140-R144 WeakPolarHBondContact O-CG 3.43Å; Q140-R144 PolarHBondContact O-N 3.02Å; Q140-R144 VanDerWaalsContact O-N 3.08Å
141I98.5Very high98.5Very high59 Ų5963.2 Ų63.230%0.30334%0.34SS..Hα-helixtrans-66.7-44.5173.9-57.9169.6000109.7Y83 A138 A139 K145Y83-I141 HydrophobicContact CD1-CD1 4.11Å; Y83-I141 HydrophobicContact CE1-CD1 4.4Å; Y83-I141 HydrophobicContact CE1-CG2 4.03Å; Y83-I141 HydrophobicContact CE2-CB 4.25Å; Y83-I141 HydrophobicContact CE2-CG2 4.15Å; Y83-I141 HydrophobicContact CG-CD1 4.21Å; A138-I141 VanDerWaalsContact O-CB 3.27Å; A138-I141 WeakPolarHBondContact O-CB 3.38Å; A138-I141 PolarHBondContact O-N 2.96Å; A139-I141 PolarHBondContact O-N 3.27Å; I141-K145 WeakPolarHBondContact O-CG 3.23Å; I141-K145 PolarHBondContact O-N 2.91Å
142T98.4Very high98.5Very high17 Ų1761.8 Ų61.810%0.10433%0.331CS..Hα-helixtrans-63.4-45.4174.3-67.60000111.2Y122 I123 A139 R144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.22Å; Y122-T142 PolarHBondContact OH-OG1 2.71Å; I123-T142 HydrophobicContact CD1-CG2 4.09Å; A139-T142 WeakPolarHBondContact O-CA 3.44Å; A139-T142 WeakPolarHBondContact O-CB 3.41Å; A139-T142 PolarHBondContact O-N 3.09Å; T142-R144 PolarHBondContact O-N 3.09Å; T142-K145 WeakPolarHBondContact O-CB 3.43Å; T142-K145 PolarHBondContact O-N 2.79Å; T142-K145 VanDerWaalsContact O-N 3.11Å; T142-W146 HydrophobicContact CG2-CD2 3.74Å; T142-W146 HydrophobicContact CG2-CE3 4.23Å; T142-W146 HydrophobicContact CG2-CG 4.07Å; T142-W146 HydrophobicContact CG2-CH2 4.48Å; T142-W146 HydrophobicContact CG2-CZ2 3.98Å; T142-W146 WeakPolarHBondContact O-CB 3.16Å; T142-W146 PolarHBondContact O-N 2.72Å
143Q98.7Very high98.5Very high39 Ų3966.3 Ų66.318%0.18235%0.353CS..Hα-helixtrans-52.3-52.5177.5177.3175.88.800111.6I123 W132 A134 A139 Q140 K145 W146 E147I123-Q143 HydrophobicContact CD1-CB 3.93Å; W132-Q143 HydrophobicContact CB-CG 4.04Å; A134-Q143 HydrophobicContact CB-CB 4.43Å; A139-Q143 PolarHBondContact O-N 3.38Å; Q140-Q143 PolarHBondContact O-N 3.43Å; Q143-K145 VanDerWaalsContact C-N 3.29Å; Q143-K145 PolarHBondContact O-N 2.84Å; Q143-W146 PolarHBondContact O-N 2.94Å; Q143-W146 VanDerWaalsContact O-N 3.08Å; Q143-E147 HydrophobicContact CG-CG 4.29Å; Q143-E147 VanDerWaalsContact CG-OE1 3.25Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.16Å; Q143-E147 PolarHBondContact NE2-OE1 3.14Å; Q143-E147 WeakPolarHBondContact O-CB 2.86Å; Q143-E147 WeakPolarHBondContact O-CG 3.36Å; Q143-E147 PolarHBondContact O-N 3.32Å
144R98.7Very high98.4Very high153 Ų15368.9 Ų68.958%0.57736%0.359SS*.Hα-helixtrans-58.7-39.9179.3-69170.5-165.8150.38.1112.5Q140 T142 A148Q140-R144 WeakPolarHBondContact O-CG 3.43Å; Q140-R144 PolarHBondContact O-N 3.02Å; Q140-R144 VanDerWaalsContact O-N 3.08Å; T142-R144 PolarHBondContact O-N 3.09Å; R144-A148 WeakPolarHBondContact O-CB 3.44Å; R144-A148 PolarHBondContact O-N 3.45Å
145K98.3Very high98.4Very high111 Ų11168.8 Ų68.848%0.48336%0.355SS..Hα-helixtrans-65.1-42.5176.2-71.2177.8176.9-174.90111.3Y83 I141 T142 Q143 A149Y83-K145 PolarHBondContact OH-NZ 3.16Å; I141-K145 WeakPolarHBondContact O-CG 3.23Å; I141-K145 PolarHBondContact O-N 2.91Å; T142-K145 WeakPolarHBondContact O-CB 3.43Å; T142-K145 PolarHBondContact O-N 2.79Å; T142-K145 VanDerWaalsContact O-N 3.11Å; Q143-K145 VanDerWaalsContact C-N 3.29Å; Q143-K145 PolarHBondContact O-N 2.84Å; K145-A149 WeakPolarHBondContact O-CB 3.33Å; K145-A149 PolarHBondContact O-N 3.3Å
146W98.4Very high98.4Very high67 Ų6771.1 Ų71.125%0.25435%0.351SS..Hα-helixtrans-72-36.4-178.4-76.610.4000112.7I123 W132 T142 Q143 A149 R150 V151I123-W146 HydrophobicContact CD1-CE3 4.1Å; I123-W146 HydrophobicContact CD1-CZ3 4.38Å; I123-W146 HydrophobicContact CG2-CH2 4.12Å; I123-W146 HydrophobicContact CG2-CZ3 3.79Å; W132-W146 AromaticContact CD2-CE3 3.99Å; W132-W146 HydrophobicContact CD2-CE3 3.99Å; W132-W146 AromaticContact CE2-CE3 3.76Å; W132-W146 AromaticContact CE3-CE3 3.84Å; W132-W146 HydrophobicContact CE3-CE3 3.84Å; W132-W146 AromaticContact CE3-CZ3 3.94Å; W132-W146 HydrophobicContact CE3-CZ3 3.94Å; W132-W146 HydrophobicContact CH2-CD2 4.38Å; W132-W146 AromaticContact CH2-CE3 3.22Å; W132-W146 HydrophobicContact CH2-CE3 3.22Å; W132-W146 HydrophobicContact CH2-CH2 4.4Å; W132-W146 AromaticContact CH2-CZ3 3.23Å; W132-W146 HydrophobicContact CH2-CZ3 3.23Å; W132-W146 HydrophobicContact CZ2-CD2 4.29Å; W132-W146 AromaticContact CZ2-CE3 3.39Å; W132-W146 HydrophobicContact CZ2-CE3 3.39Å; W132-W146 AromaticContact CZ2-CZ3 3.94Å; W132-W146 HydrophobicContact CZ2-CZ3 3.94Å; W132-W146 AromaticContact CZ3-CE3 3.49Å; W132-W146 HydrophobicContact CZ3-CE3 3.49Å; W132-W146 VanDerWaalsContact CZ3-CE3 3.49Å; W132-W146 AromaticContact CZ3-CZ3 3.27Å; W132-W146 HydrophobicContact CZ3-CZ3 3.27Å; T142-W146 HydrophobicContact CG2-CD2 3.74Å; T142-W146 HydrophobicContact CG2-CE3 4.23Å; T142-W146 HydrophobicContact CG2-CG 4.07Å; T142-W146 HydrophobicContact CG2-CH2 4.48Å; T142-W146 HydrophobicContact CG2-CZ2 3.98Å; T142-W146 WeakPolarHBondContact O-CB 3.16Å; T142-W146 PolarHBondContact O-N 2.72Å; Q143-W146 PolarHBondContact O-N 2.94Å; Q143-W146 VanDerWaalsContact O-N 3.08Å; W146-A149 CarbonylContact O-C 3.53Å; W146-A149 PolarHBondContact O-N 3.05Å; W146-R150 PolarHBondContact O-N 3.46Å; W146-V151 HydrophobicContact CB-CB 3.96Å; W146-V151 HydrophobicContact CB-CG2 3.9Å; W146-V151 HydrophobicContact CD2-CB 4.46Å; W146-V151 HydrophobicContact CD2-CG1 4.24Å; W146-V151 HydrophobicContact CE3-CG1 4.48Å; W146-V151 HydrophobicContact CG-CB 4.09Å; W146-V151 HydrophobicContact CG-CG1 4.37Å; W146-V151 HydrophobicContact CG-CG2 3.85Å; W146-V151 PolarHBondContact O-N 3.05Å
147E98.6Very high98.4Very high94 Ų9471.7 Ų71.744%0.43936%0.363SS..Hα-helixtrans-63.9-48.7171.2-72.8169.4173.900111Q143 A149 R150Q143-E147 HydrophobicContact CG-CG 4.29Å; Q143-E147 VanDerWaalsContact CG-OE1 3.25Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.16Å; Q143-E147 PolarHBondContact NE2-OE1 3.14Å; Q143-E147 WeakPolarHBondContact O-CB 2.86Å; Q143-E147 WeakPolarHBondContact O-CG 3.36Å; Q143-E147 PolarHBondContact O-N 3.32Å; E147-A149 PolarHBondContact O-N 2.79Å; E147-R150 PolarHBondContact O-N 2.87Å
148A98.5Very high98.4Very high89 Ų8969.2 Ų69.274%0.73634%0.342SS*.Hα-helixtrans-60.2-34.8177.900000112.8R144R144-A148 WeakPolarHBondContact O-CB 3.44Å; R144-A148 PolarHBondContact O-N 3.45Å
149A98.3Very high98.5Very high57 Ų5769.1 Ų69.147%0.47134%0.341SS..THydrogen-bonded Turntrans-925.417800000114.1K145 W146 E147 V151K145-A149 WeakPolarHBondContact O-CB 3.33Å; K145-A149 PolarHBondContact O-N 3.3Å; W146-A149 CarbonylContact O-C 3.53Å; W146-A149 PolarHBondContact O-N 3.05Å; E147-A149 PolarHBondContact O-N 2.79Å; A149-V151 VanDerWaalsContact C-N 3.25Å; A149-V151 HydrophobicContact CB-CG2 4.09Å; A149-V151 PolarHBondContact O-N 2.62Å
150R98.3Very high98.5Very high157 Ų15773.4 Ų73.459%0.59236%0.361SS*.THydrogen-bonded Turntrans51.241.4-179.9-62.8175.8173.4-119.75.7113.5W146 E147 A152 E153W146-R150 PolarHBondContact O-N 3.46Å; E147-R150 PolarHBondContact O-N 2.87Å; R150-A152 VanDerWaalsContact C-N 3.26Å; R150-A152 PolarHBondContact O-N 2.83Å; R150-E153 HydrophobicContact CB-CG 4.3Å; R150-E153 WeakPolarHBondContact CD-OE1 3.44Å; R150-E153 IonicContact CZ-OE1 3.26Å; R150-E153 IonicContact NE-OE1 3.55Å; R150-E153 IonicContact NH1-OE1 3.66Å; R150-E153 PolarHBondContact NH1-OE1 2.91Å; R150-E153 IonicContact NH1-OE2 3.16Å; R150-E153 PolarHBondContact O-N 3.38Å
151V98.6Very high98.4Very high29 Ų2970.8 Ų70.818%0.17635%0.354CS..Hα-helixtrans-62.4-34.8-176.9176.60000111.7W132 W146 A149 E153 Q154 L155W132-V151 HydrophobicContact CZ2-CB 4.3Å; W132-V151 HydrophobicContact CZ2-CG1 4.08Å; W146-V151 HydrophobicContact CB-CB 3.96Å; W146-V151 HydrophobicContact CB-CG2 3.9Å; W146-V151 HydrophobicContact CD2-CB 4.46Å; W146-V151 HydrophobicContact CD2-CG1 4.24Å; W146-V151 HydrophobicContact CE3-CG1 4.48Å; W146-V151 HydrophobicContact CG-CB 4.09Å; W146-V151 HydrophobicContact CG-CG1 4.37Å; W146-V151 HydrophobicContact CG-CG2 3.85Å; W146-V151 PolarHBondContact O-N 3.05Å; A149-V151 VanDerWaalsContact C-N 3.25Å; A149-V151 HydrophobicContact CB-CG2 4.09Å; A149-V151 PolarHBondContact O-N 2.62Å; V151-E153 VanDerWaalsContact C-N 3.3Å; V151-E153 PolarHBondContact O-N 2.86Å; V151-Q154 PolarHBondContact O-N 2.86Å; V151-L155 HydrophobicContact CG1-CD1 3.96Å; V151-L155 HydrophobicContact CG1-CG 4.31Å; V151-L155 PolarHBondContact O-N 3.3Å; V151-L155 VanDerWaalsContact O-N 3.08Å
152A98.6Very high98.4Very high9 Ų971.1 Ų71.17%0.07436%0.356CS..Hα-helixtrans-59.9-38.3178.400000112.5L125 W132 R150 Q154 L155 R156L125-A152 HydrophobicContact CD1-CB 3.92Å; W132-A152 HydrophobicContact CZ2-CB 4.22Å; R150-A152 VanDerWaalsContact C-N 3.26Å; R150-A152 PolarHBondContact O-N 2.83Å; A152-Q154 VanDerWaalsContact C-N 3.33Å; A152-Q154 PolarHBondContact O-N 2.9Å; A152-L155 PolarHBondContact O-N 2.89Å; A152-R156 VanDerWaalsContact O-CB 3.28Å; A152-R156 WeakPolarHBondContact O-CB 3.41Å; A152-R156 PolarHBondContact O-N 2.77Å
153E98.3Very high98.4Very high109 Ų10970.3 Ų70.351%0.50935%0.351SS..Hα-helixtrans-63.5-39178.3-63.2174.1-165.500111.7R150 V151 A157R150-E153 HydrophobicContact CB-CG 4.3Å; R150-E153 WeakPolarHBondContact CD-OE1 3.44Å; R150-E153 IonicContact CZ-OE1 3.26Å; R150-E153 IonicContact NE-OE1 3.55Å; R150-E153 IonicContact NH1-OE1 3.66Å; R150-E153 PolarHBondContact NH1-OE1 2.91Å; R150-E153 IonicContact NH1-OE2 3.16Å; R150-E153 PolarHBondContact O-N 3.38Å; V151-E153 VanDerWaalsContact C-N 3.3Å; V151-E153 PolarHBondContact O-N 2.86Å; E153-A157 WeakPolarHBondContact O-CB 3.37Å; E153-A157 PolarHBondContact O-N 2.81Å
154Q98Very high98.4Very high133 Ų13368.8 Ų68.862%0.62135%0.345SS*.Hα-helixtrans-68.3-43177.3-60.1176.542.200111.7V151 A152 A157 Y158V151-Q154 PolarHBondContact O-N 2.86Å; A152-Q154 VanDerWaalsContact C-N 3.33Å; A152-Q154 PolarHBondContact O-N 2.9Å; Q154-A157 PolarHBondContact O-N 3.01Å; Q154-Y158 PolarHBondContact O-N 2.94Å; Q154-Y158 VanDerWaalsContact O-N 3.12Å
155L98.4Very high98.4Very high20 Ų2067.1 Ų67.111%0.10534%0.343CS..Hα-helixtrans-66.2-43177.4-69.9171.6000111.3D113 L125 W132 V151 A152 A157 Y158 L159D113-L155 HydrophobicContact CB-CD1 4.18Å; L125-L155 HydrophobicContact CD2-CB 4.13Å; L125-L155 HydrophobicContact CD2-CD1 4.34Å; W132-L155 HydrophobicContact CH2-CD1 3.37Å; W132-L155 HydrophobicContact CZ2-CD1 3.87Å; W132-L155 HydrophobicContact CZ3-CD1 4.47Å; V151-L155 HydrophobicContact CG1-CD1 3.96Å; V151-L155 HydrophobicContact CG1-CG 4.31Å; V151-L155 PolarHBondContact O-N 3.3Å; V151-L155 VanDerWaalsContact O-N 3.08Å; A152-L155 PolarHBondContact O-N 2.89Å; L155-A157 VanDerWaalsContact C-N 3.35Å; L155-A157 PolarHBondContact O-N 2.9Å; L155-Y158 PolarHBondContact O-N 3.42Å; L155-L159 WeakPolarHBondContact O-CB 3.34Å; L155-L159 VanDerWaalsContact O-CG 3.22Å; L155-L159 WeakPolarHBondContact O-CG 3.39Å; L155-L159 PolarHBondContact O-N 3.08Å
156R98.6Very high98.4Very high109 Ų10964.9 Ų64.941%0.41133%0.332SS..Hα-helixtrans-56.9-48.5174.3-177.3178.6176.2162.811.6111.5L129 A152 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.1Å; L129-R156 HydrophobicContact CB-CG 3.97Å; L129-R156 HydrophobicContact CD1-CG 4.36Å; A152-R156 VanDerWaalsContact O-CB 3.28Å; A152-R156 WeakPolarHBondContact O-CB 3.41Å; A152-R156 PolarHBondContact O-N 2.77Å; R156-Y158 VanDerWaalsContact C-N 3.28Å; R156-Y158 PolarHBondContact O-N 2.99Å; R156-L159 PolarHBondContact O-N 3.3Å; R156-E160 HydrophobicContact CG-CG 4.13Å; R156-E160 WeakPolarHBondContact CG-OE2 3.5Å; R156-E160 IonicContact CZ-OE1 3.65Å; R156-E160 IonicContact CZ-OE2 3.62Å; R156-E160 VanDerWaalsContact NE-CD 3.28Å; R156-E160 IonicContact NE-OE1 3.42Å; R156-E160 PolarHBondContact NE-OE1 3.36Å; R156-E160 IonicContact NE-OE2 3.85Å; R156-E160 PolarHBondContact NE-OE2 3.4Å; R156-E160 IonicContact NH2-OE1 3.87Å; R156-E160 PolarHBondContact NH2-OE1 2.95Å; R156-E160 IonicContact NH2-OE2 2.77Å; R156-E160 WeakPolarHBondContact O-CB 3.45Å; R156-E160 PolarHBondContact O-N 2.8Å
157A98.6Very high98.4Very high66 Ų6661.7 Ų61.755%0.54532%0.32SS..Hα-helixtrans-58.9-38.8177.900000112.5E153 Q154 L155 G161E153-A157 WeakPolarHBondContact O-CB 3.37Å; E153-A157 PolarHBondContact O-N 2.81Å; Q154-A157 PolarHBondContact O-N 3.01Å; L155-A157 VanDerWaalsContact C-N 3.35Å; L155-A157 PolarHBondContact O-N 2.9Å; A157-G161 PolarHBondContact O-N 3.39Å; A157-G161 VanDerWaalsContact O-N 3.15Å
158Y98.4Very high98.4Very high57 Ų5763 Ų6322%0.22432%0.321CS..Iπ-helixtrans-67.8-48.3173.6170.5-97.4000112.5Y98 Q154 L155 R156 G161 L162 C163Y98-Y158 AromaticContact CD2-CE1 3.8Å; Y98-Y158 HydrophobicContact CD2-CE1 3.8Å; Y98-Y158 AromaticContact CE2-CE1 3.64Å; Y98-Y158 HydrophobicContact CE2-CE1 3.64Å; Y98-Y158 AromaticContact CE2-CZ 3.9Å; Q154-Y158 PolarHBondContact O-N 2.94Å; Q154-Y158 VanDerWaalsContact O-N 3.12Å; L155-Y158 PolarHBondContact O-N 3.42Å; R156-Y158 VanDerWaalsContact C-N 3.28Å; R156-Y158 PolarHBondContact O-N 2.99Å; Y158-G161 CarbonylContact O-C 3.56Å; Y158-G161 PolarHBondContact O-N 3.5Å; Y158-L162 HydrophobicContact CD2-CB 3.85Å; Y158-L162 HydrophobicContact CD2-CD1 4.29Å; Y158-L162 HydrophobicContact CE2-CB 4.06Å; Y158-L162 PolarHBondContact O-N 2.88Å; Y158-L162 VanDerWaalsContact O-N 3.15Å; Y158-C163 HydrophobicContact CD1-CB 4.27Å; Y158-C163 HydrophobicContact CE1-CB 3.81Å; Y158-C163 WeakPolarHBondContact O-CB 3.46Å; Y158-C163 PolarHBondContact O-N 3.03Å
159L98.6Very high98.4Very high1 Ų164.2 Ų64.21%0.00531%0.306CS..Iπ-helixtrans-69.3-37.7-173.9-70.9171.5000112.6G99 L125 L129 L155 R156 V164G99-L159 WeakPolarHBondContact O-CD2 3.15Å; L125-L159 HydrophobicContact CD2-CD1 3.95Å; L129-L159 HydrophobicContact CD1-CB 4.48Å; L129-L159 HydrophobicContact CD2-CD1 3.97Å; L155-L159 WeakPolarHBondContact O-CB 3.34Å; L155-L159 VanDerWaalsContact O-CG 3.22Å; L155-L159 WeakPolarHBondContact O-CG 3.39Å; L155-L159 PolarHBondContact O-N 3.08Å; R156-L159 PolarHBondContact O-N 3.3Å; L159-V164 WeakPolarHBondContact O-CG2 3.39Å
160E98.3Very high98.4Very high91 Ų9161.5 Ų61.543%0.42528%0.284SS..Iπ-helixtrans-81.2-24.4176.3-68.7179.8160.500112.9L108 L129 R156L108-E160 HydrophobicContact CD2-CB 4.38Å; L108-E160 HydrophobicContact CD2-CG 3.66Å; L129-E160 HydrophobicContact CD1-CG 4.2Å; R156-E160 HydrophobicContact CG-CG 4.13Å; R156-E160 WeakPolarHBondContact CG-OE2 3.5Å; R156-E160 IonicContact CZ-OE1 3.65Å; R156-E160 IonicContact CZ-OE2 3.62Å; R156-E160 VanDerWaalsContact NE-CD 3.28Å; R156-E160 IonicContact NE-OE1 3.42Å; R156-E160 PolarHBondContact NE-OE1 3.36Å; R156-E160 IonicContact NE-OE2 3.85Å; R156-E160 PolarHBondContact NE-OE2 3.4Å; R156-E160 IonicContact NH2-OE1 3.87Å; R156-E160 PolarHBondContact NH2-OE1 2.95Å; R156-E160 IonicContact NH2-OE2 2.77Å; R156-E160 WeakPolarHBondContact O-CB 3.45Å; R156-E160 PolarHBondContact O-N 2.8Å
161G98.2Very high98.4Very high20 Ų2054.8 Ų54.821%0.20626%0.26CS..Iπ-helixtrans-106.5-95.5-178.100000113A157 Y158 C163 V164 E165A157-G161 PolarHBondContact O-N 3.39Å; A157-G161 VanDerWaalsContact O-N 3.15Å; Y158-G161 CarbonylContact O-C 3.56Å; Y158-G161 PolarHBondContact O-N 3.5Å; G161-C163 VanDerWaalsContact C-N 3.29Å; G161-C163 PolarHBondContact O-N 2.82Å; G161-V164 PolarHBondContact O-N 3.12Å; G161-E165 WeakPolarHBondContact O-CG 3.32Å; G161-E165 PolarHBondContact O-N 3.1Å
162L98.1Very high98.4Very high65 Ų6558.4 Ų58.434%0.3428%0.275SS..Iπ-helixtrans-55.2-39.3-170.3-72.1176.4000113.5Y158 V164 E165 W166Y158-L162 HydrophobicContact CD2-CB 3.85Å; Y158-L162 HydrophobicContact CD2-CD1 4.29Å; Y158-L162 HydrophobicContact CE2-CB 4.06Å; Y158-L162 PolarHBondContact O-N 2.88Å; Y158-L162 VanDerWaalsContact O-N 3.15Å; L162-V164 PolarHBondContact O-N 3.29Å; L162-E165 PolarHBondContact O-N 3.23Å; L162-W166 WeakPolarHBondContact O-CB 3.49Å; L162-W166 PolarHBondContact O-N 2.8Å
163C98.6Very high98.3Very high0 Ų060.3 Ų60.30%028%0.284CS..Hα-helixtrans-60.1-48.3178.7-170.80000111.2M4 C100 Y158 G161 L167M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 WeakPolarHBondContact CE-O 3.37Å; M4-C163 WeakPolarHBondContact CE-SG 3.49Å; C100-C163 HydrophobicContact CB-CB 3.92Å; C100-C163 WeakPolarHBondContact CB-SG 3.04Å; C100-C163 PolarHBondContact N-SG 3.19Å; C100-C163 WeakPolarHBondContact SG-CB 3.19Å; C100-C163 PolarHBondContact SG-O 2.87Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.2Å; Y158-C163 HydrophobicContact CD1-CB 4.27Å; Y158-C163 HydrophobicContact CE1-CB 3.81Å; Y158-C163 WeakPolarHBondContact O-CB 3.46Å; Y158-C163 PolarHBondContact O-N 3.03Å; G161-C163 VanDerWaalsContact C-N 3.29Å; G161-C163 PolarHBondContact O-N 2.82Å; C163-L167 VanDerWaalsContact O-CB 3.3Å; C163-L167 WeakPolarHBondContact O-CB 3.49Å; C163-L167 PolarHBondContact O-N 3.45Å
164V98.5Very high98.3Very high7 Ų755.3 Ų55.34%0.04226%0.261CS..Hα-helixtrans-64.6-45.1178.7175.80000111L102 L108 L159 G161 L162 L167 R168L102-V164 HydrophobicContact CD2-CB 4.21Å; L102-V164 HydrophobicContact CD2-CG1 3.76Å; L102-V164 HydrophobicContact CD2-CG2 3.87Å; L108-V164 HydrophobicContact CB-CG2 4.05Å; L108-V164 HydrophobicContact CD1-CG2 3.99Å; L159-V164 WeakPolarHBondContact O-CG2 3.39Å; G161-V164 PolarHBondContact O-N 3.12Å; L162-V164 PolarHBondContact O-N 3.29Å; V164-L167 PolarHBondContact O-N 3.26Å; V164-R168 WeakPolarHBondContact O-CG 3.38Å; V164-R168 PolarHBondContact O-N 3.34Å
165E98.3Very high98.3Very high118 Ų11853.9 Ų53.955%0.55125%0.253SS*.Hα-helixtrans-60.4-48179.7-71.4174.9-177.900111.9G161 L162 R168 R169G161-E165 WeakPolarHBondContact O-CG 3.32Å; G161-E165 PolarHBondContact O-N 3.1Å; L162-E165 PolarHBondContact O-N 3.23Å; E165-R168 PolarHBondContact O-N 3.11Å; E165-R169 PolarHBondContact O-N 3.16Å
166W98.5Very high98.1Very high64 Ų6460.5 Ų60.524%0.24228%0.283CS..Hα-helixtrans-67.7-42.3178.9-82108.5000112.3M4 Y58 L162 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.11Å; M4-W166 HydrophobicContact SD-CB 4.44Å; Y58-W166 AromaticContact CD2-CH2 3.6Å; Y58-W166 HydrophobicContact CD2-CH2 3.6Å; Y58-W166 HydrophobicContact CD2-CZ2 4.1Å; Y58-W166 HydrophobicContact CD2-CZ3 4.03Å; Y58-W166 HydrophobicContact CE2-CE3 4.48Å; Y58-W166 AromaticContact CE2-CH2 3.99Å; Y58-W166 HydrophobicContact CE2-CH2 3.99Å; Y58-W166 HydrophobicContact CE2-CZ2 4.39Å; Y58-W166 HydrophobicContact CE2-CZ3 4.03Å; L162-W166 WeakPolarHBondContact O-CB 3.49Å; L162-W166 PolarHBondContact O-N 2.8Å; W166-R168 VanDerWaalsContact C-N 3.34Å; W166-R168 PolarHBondContact O-N 3.32Å; W166-R169 WeakPolarHBondContact O-CB 3.19Å; W166-R169 PolarHBondContact O-N 3.39Å; W166-Y170 HydrophobicContact CB-CE2 4.01Å; W166-Y170 HydrophobicContact CD2-CE1 4.49Å; W166-Y170 HydrophobicContact CE3-CD1 4.34Å; W166-Y170 AromaticContact CE3-CE1 3.41Å; W166-Y170 HydrophobicContact CE3-CE1 3.41Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.41Å; W166-Y170 HydrophobicContact CE3-CE2 4.35Å; W166-Y170 AromaticContact CE3-CZ 3.41Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.41Å; W166-Y170 AromaticContact CZ3-CE1 3.82Å; W166-Y170 HydrophobicContact CZ3-CE1 3.82Å; W166-Y170 VanDerWaalsContact O-CD2 3.3Å; W166-Y170 WeakPolarHBondContact O-CD2 3.45Å; W166-Y170 PolarHBondContact O-N 2.91Å
167L98.7Very high98Very high0 Ų057.3 Ų57.30%028%0.276CS..Hα-helixtrans-60-44.1176.2174.451.5000111.4H2 M4 V27 L102 C163 V164 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.43Å; M4-L167 HydrophobicContact CB-CB 4.01Å; M4-L167 HydrophobicContact CB-CD1 4.02Å; M4-L167 HydrophobicContact CB-CD2 3.93Å; M4-L167 HydrophobicContact CB-CG 4.2Å; M4-L167 HydrophobicContact CE-CB 4.37Å; M4-L167 HydrophobicContact SD-CB 4.4Å; V27-L167 HydrophobicContact CG1-CD1 3.6Å; V27-L167 HydrophobicContact CG2-CD1 4.19Å; L102-L167 HydrophobicContact CD1-CB 4.29Å; L102-L167 HydrophobicContact CD1-CD2 3.65Å; L102-L167 HydrophobicContact CD1-CG 3.73Å; L102-L167 HydrophobicContact CG-CD2 3.57Å; L102-L167 HydrophobicContact CG-CG 4.25Å; C163-L167 VanDerWaalsContact O-CB 3.3Å; C163-L167 WeakPolarHBondContact O-CB 3.49Å; C163-L167 PolarHBondContact O-N 3.45Å; V164-L167 PolarHBondContact O-N 3.26Å; L167-R169 VanDerWaalsContact C-N 3.35Å; L167-R169 PolarHBondContact O-N 2.94Å; L167-Y170 PolarHBondContact O-N 3.16Å; L167-L171 HydrophobicContact CD1-CD1 3.91Å; L167-L171 HydrophobicContact CD1-CD2 4.4Å; L167-L171 HydrophobicContact CD1-CG 3.88Å; L167-L171 HydrophobicContact CG-CD1 4.09Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.43Å; L167-L171 PolarHBondContact O-N 3.48Å
168R98.3Very high97.9Very high122 Ų12254.4 Ų54.446%0.4625%0.251SS..Hα-helixtrans-59.9-43.8174.6-73175.2-176.9162.50.3112.3L102 G106 V164 E165 W166 L171 E172L102-R168 HydrophobicContact CD1-CG 3.96Å; G106-R168 VanDerWaalsContact O-CZ 3.25Å; G106-R168 PolarHBondContact O-NE 3.19Å; G106-R168 PolarHBondContact O-NH2 2.87Å; V164-R168 WeakPolarHBondContact O-CG 3.38Å; V164-R168 PolarHBondContact O-N 3.34Å; E165-R168 PolarHBondContact O-N 3.11Å; W166-R168 VanDerWaalsContact C-N 3.34Å; W166-R168 PolarHBondContact O-N 3.32Å; R168-L171 PolarHBondContact O-N 3.16Å; R168-E172 PolarHBondContact O-N 2.8Å; R168-E172 VanDerWaalsContact O-N 3.09Å
169R98.2Very high97.7Very high114 Ų11456.8 Ų56.843%0.4327%0.265SS..Hα-helixtrans-60.3-45.2175.9177177.617294.3-6.4111.4E54 E165 W166 L167 E172 N173E54-R169 IonicContact OE1-CZ 3.77Å; E54-R169 IonicContact OE1-NE 3.78Å; E54-R169 PolarHBondContact OE1-NE 3.15Å; E54-R169 IonicContact OE1-NH2 2.79Å; E54-R169 PolarHBondContact OE1-NH2 3.41Å; E54-R169 VanDerWaalsContact OE1-NH2 3.16Å; E54-R169 IonicContact OE2-CZ 2.74Å; E54-R169 IonicContact OE2-NE 2.66Å; E54-R169 IonicContact OE2-NH2 3.68Å; E54-R169 PolarHBondContact OE2-NH2 3.32Å; E165-R169 PolarHBondContact O-N 3.16Å; W166-R169 WeakPolarHBondContact O-CB 3.19Å; W166-R169 PolarHBondContact O-N 3.39Å; L167-R169 VanDerWaalsContact C-N 3.35Å; L167-R169 PolarHBondContact O-N 2.94Å; R169-E172 PolarHBondContact O-N 3.01Å; R169-N173 VanDerWaalsContact O-CB 3.27Å; R169-N173 WeakPolarHBondContact O-CB 3.25Å; R169-N173 PolarHBondContact O-N 3.05Å; R169-N173 PolarHBondContact O-OD1 3.38Å
170Y98.5Very high97.6Very high1 Ų162.1 Ų62.10%0.00429%0.285CS..Hα-helixtrans-65.7-39.3179-61.3-27000112.4M4 V27 F32 W50 I51 Y58 W166 L167 E172 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.73Å; M4-Y170 HydrophobicContact SD-CE2 3.55Å; M4-Y170 VanDerWaalsContact SD-CE2 3.55Å; V27-Y170 HydrophobicContact CG2-CD2 3.95Å; V27-Y170 HydrophobicContact CG2-CG 4.49Å; F32-Y170 HydrophobicContact CD2-CE2 4.48Å; F32-Y170 HydrophobicContact CE2-CD2 4.38Å; F32-Y170 AromaticContact CE2-CE2 3.72Å; F32-Y170 HydrophobicContact CE2-CE2 3.72Å; F32-Y170 HydrophobicContact CZ-CD2 4.41Å; F32-Y170 AromaticContact CZ-CE2 3.86Å; F32-Y170 HydrophobicContact CZ-CE2 3.86Å; W50-Y170 HydrophobicContact CE3-CD1 4.35Å; W50-Y170 HydrophobicContact CH2-CG 4.19Å; W50-Y170 AromaticContact CZ3-CD1 3.71Å; W50-Y170 HydrophobicContact CZ3-CD1 3.71Å; W50-Y170 HydrophobicContact CZ3-CD2 4.26Å; W50-Y170 HydrophobicContact CZ3-CE1 4.44Å; W50-Y170 AromaticContact CZ3-CG 3.62Å; W50-Y170 HydrophobicContact CZ3-CG 3.62Å; I51-Y170 HydrophobicContact CD1-CD1 3.92Å; I51-Y170 HydrophobicContact CD1-CE1 3.32Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.25Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.33Å; Y58-Y170 PolarHBondContact OH-OH 2.89Å; W166-Y170 HydrophobicContact CB-CE2 4.01Å; W166-Y170 HydrophobicContact CD2-CE1 4.49Å; W166-Y170 HydrophobicContact CE3-CD1 4.34Å; W166-Y170 AromaticContact CE3-CE1 3.41Å; W166-Y170 HydrophobicContact CE3-CE1 3.41Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.41Å; W166-Y170 HydrophobicContact CE3-CE2 4.35Å; W166-Y170 AromaticContact CE3-CZ 3.41Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.41Å; W166-Y170 AromaticContact CZ3-CE1 3.82Å; W166-Y170 HydrophobicContact CZ3-CE1 3.82Å; W166-Y170 VanDerWaalsContact O-CD2 3.3Å; W166-Y170 WeakPolarHBondContact O-CD2 3.45Å; W166-Y170 PolarHBondContact O-N 2.91Å; L167-Y170 PolarHBondContact O-N 3.16Å; Y170-E172 VanDerWaalsContact C-N 3.32Å; Y170-E172 PolarHBondContact O-N 3.25Å; Y170-N173 PolarHBondContact O-N 2.9Å; Y170-G174 WeakPolarHBondContact O-CA 3.42Å; Y170-G174 PolarHBondContact O-N 2.86Å; Y170-L178 WeakPolarHBondContact O-CD1 3.39Å
171L98.2Very high97.6Very high15 Ų1559.2 Ų59.28%0.07928%0.277CS..Hα-helixtrans-62.8-37.5175.1-71.1169.6000112.5H2 V27 L167 R168 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.73Å; H2-L171 HydrophobicContact CB-CD2 3.97Å; H2-L171 HydrophobicContact CB-CG 4.42Å; H2-L171 VanDerWaalsContact CG-CD2 3.47Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.32Å; V27-L171 HydrophobicContact CG1-CD2 4.12Å; L167-L171 HydrophobicContact CD1-CD1 3.91Å; L167-L171 HydrophobicContact CD1-CD2 4.4Å; L167-L171 HydrophobicContact CD1-CG 3.88Å; L167-L171 HydrophobicContact CG-CD1 4.09Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.43Å; L167-L171 PolarHBondContact O-N 3.48Å; R168-L171 PolarHBondContact O-N 3.16Å; L171-K175 VanDerWaalsContact O-CA 3.25Å; L171-K175 WeakPolarHBondContact O-CA 3.46Å; L171-K175 WeakPolarHBondContact O-CB 3.21Å; L171-K175 PolarHBondContact O-N 3Å; L171-K175 VanDerWaalsContact O-N 3.11Å; L171-L178 HydrophobicContact CD2-CB 4.11Å; L171-L178 HydrophobicContact CD2-CD1 4.4Å; L171-Q179 HydrophobicContact CD2-CG 4.48Å; L171-Q179 PolarHBondContact O-NE2 2.74Å
172E97.9Very high97.7Very high106 Ų10660 Ų6050%0.49528%0.276SS..Hα-helixtrans-70.4-49.5174.4-178.454.9-14200111.1R168 R169 Y170 G174 K175R168-E172 PolarHBondContact O-N 2.8Å; R168-E172 VanDerWaalsContact O-N 3.09Å; R169-E172 PolarHBondContact O-N 3.01Å; Y170-E172 VanDerWaalsContact C-N 3.32Å; Y170-E172 PolarHBondContact O-N 3.25Å; E172-G174 VanDerWaalsContact C-N 3.28Å; E172-G174 PolarHBondContact O-N 3.33Å; E172-K175 WeakPolarHBondContact O-CB 3.21Å; E172-K175 WeakPolarHBondContact O-CG 3.47Å; E172-K175 PolarHBondContact O-N 3.15Å; E172-K175 IonicContact OE1-NZ 3.94Å; E172-K175 PolarHBondContact OE1-NZ 3.45Å
173N98Very high97.7Very high49 Ų4960 Ų6026%0.26228%0.28SS..Hα-helixtrans-59.2-38.3-179.9-770000112.7Q53 E54 R169 Y170Q53-N173 PolarHBondContact NE2-ND2 3.38Å; Q53-N173 VanDerWaalsContact NE2-ND2 3.19Å; E54-N173 PolarHBondContact OE1-ND2 3.2Å; R169-N173 VanDerWaalsContact O-CB 3.27Å; R169-N173 WeakPolarHBondContact O-CB 3.25Å; R169-N173 PolarHBondContact O-N 3.05Å; R169-N173 PolarHBondContact O-OD1 3.38Å; Y170-N173 PolarHBondContact O-N 2.9Å
174G97.8Very high97.7Very high4 Ų460.4 Ų60.44%0.04128%0.282CS..THydrogen-bonded Turntrans-103.313.6-176.400000114.4Y170 E172 E176 T177 L178Y170-G174 WeakPolarHBondContact O-CA 3.42Å; Y170-G174 PolarHBondContact O-N 2.86Å; E172-G174 VanDerWaalsContact C-N 3.28Å; E172-G174 PolarHBondContact O-N 3.33Å; G174-E176 VanDerWaalsContact C-N 3.26Å; G174-E176 PolarHBondContact O-N 2.96Å; G174-E176 VanDerWaalsContact O-N 3.08Å; G174-T177 CarbonylContact O-C 3.54Å; G174-T177 WeakPolarHBondContact O-CA 3.43Å; G174-T177 PolarHBondContact O-N 3.25Å; G174-T177 PolarHBondContact O-OG1 3.31Å; G174-L178 PolarHBondContact O-N 3.45Å
175K96.9Very high97.7Very high103 Ų10367.6 Ų67.645%0.44831%0.313SS..Hα-helixtrans-51.6-37.3-168.366.6-173.7170.9-162.30115.4L171 E172 T177 Q179L171-K175 VanDerWaalsContact O-CA 3.25Å; L171-K175 WeakPolarHBondContact O-CA 3.46Å; L171-K175 WeakPolarHBondContact O-CB 3.21Å; L171-K175 PolarHBondContact O-N 3Å; L171-K175 VanDerWaalsContact O-N 3.11Å; E172-K175 WeakPolarHBondContact O-CB 3.21Å; E172-K175 WeakPolarHBondContact O-CG 3.47Å; E172-K175 PolarHBondContact O-N 3.15Å; E172-K175 IonicContact OE1-NZ 3.94Å; E172-K175 PolarHBondContact OE1-NZ 3.45Å; K175-T177 PolarHBondContact O-N 3.2Å; K175-T177 VanDerWaalsContact O-N 3.16Å; K175-Q179 PolarHBondContact O-N 3.29Å
176E95.4Very high97.7Very high158 Ų15863.7 Ų63.774%0.73830%0.297SS*.Hα-helixtrans-62.7-24179.7-62.4-174.8168.800113G174 R180G174-E176 VanDerWaalsContact C-N 3.26Å; G174-E176 PolarHBondContact O-N 2.96Å; G174-E176 VanDerWaalsContact O-N 3.08Å; E176-R180 PolarHBondContact O-NH1 2.97Å
177T95.3Very high97.7Very high43 Ų4364.3 Ų64.326%0.26430%0.303SS..Hα-helixtrans-106.3-65.4178.255.80000110.3G174 K175 Q179 R180 R238G174-T177 CarbonylContact O-C 3.54Å; G174-T177 WeakPolarHBondContact O-CA 3.43Å; G174-T177 PolarHBondContact O-N 3.25Å; G174-T177 PolarHBondContact O-OG1 3.31Å; K175-T177 PolarHBondContact O-N 3.2Å; K175-T177 VanDerWaalsContact O-N 3.16Å; T177-Q179 VanDerWaalsContact C-N 3.3Å; T177-Q179 PolarHBondContact O-N 2.68Å; T177-R180 WeakPolarHBondContact O-CB 3.48Å; T177-R180 PolarHBondContact O-N 3.27Å; T177-R238 VanDerWaalsContact CB-NH1 3.31Å; T177-R238 PolarHBondContact O-NH1 3.01Å; T177-R238 PolarHBondContact O-NH2 3.39Å
178L96.6Very high97.7Very high4 Ų465.4 Ų65.42%0.02131%0.309CS..Hα-helixtrans-63.6-28.9-168.4-62.2174.4000114.3V27 T30 W50 Y170 L171 G174V27-L178 HydrophobicContact CB-CD1 4.3Å; V27-L178 HydrophobicContact CB-CD2 4.21Å; V27-L178 HydrophobicContact CG1-CD1 3.93Å; V27-L178 HydrophobicContact CG1-CD2 4.12Å; T30-L178 HydrophobicContact CG2-CD2 4.1Å; W50-L178 HydrophobicContact CD2-CD1 4.41Å; W50-L178 HydrophobicContact CH2-CD1 4.36Å; W50-L178 HydrophobicContact CZ2-CD1 3.83Å; W50-L178 HydrophobicContact CZ2-CD2 4.16Å; W50-L178 HydrophobicContact CZ2-CG 4.42Å; Y170-L178 WeakPolarHBondContact O-CD1 3.39Å; L171-L178 HydrophobicContact CD2-CB 4.11Å; L171-L178 HydrophobicContact CD2-CD1 4.4Å; G174-L178 PolarHBondContact O-N 3.45Å
179Q95.7Very high97.7Very high108 Ų10861.2 Ų61.251%0.50530%0.297SS..THydrogen-bonded Turntrans-99.112.4178.7-58.2-1764100112.6L171 K175 T177L171-Q179 HydrophobicContact CD2-CG 4.48Å; L171-Q179 PolarHBondContact O-NE2 2.74Å; K175-Q179 PolarHBondContact O-N 3.29Å; T177-Q179 VanDerWaalsContact C-N 3.3Å; T177-Q179 PolarHBondContact O-N 2.68Å
180R96.9Very high97.7Very high112 Ų11258.1 Ų58.142%0.42329%0.288SS..  trans-109.3120177.9-169.3-175.977.2-142.15.7110.1E176 T177 D182 Y208E176-R180 PolarHBondContact O-NH1 2.97Å; T177-R180 WeakPolarHBondContact O-CB 3.48Å; T177-R180 PolarHBondContact O-N 3.27Å; R180-D182 IonicContact CZ-OD1 3.51Å; R180-D182 IonicContact CZ-OD2 3.45Å; R180-D182 IonicContact NE-OD1 3.85Å; R180-D182 PolarHBondContact NE-OD1 2.98Å; R180-D182 IonicContact NE-OD2 3.51Å; R180-D182 IonicContact NH2-OD1 3.26Å; R180-D182 PolarHBondContact NH2-OD1 3Å; R180-D182 IonicContact NH2-OD2 2.7Å; R180-D182 PolarHBondContact NH2-OD2 3.23Å; R180-Y208 WeakPolarHBondContact O-CD1 3.37Å
181A98.1Very high97.6Very high31 Ų3161.9 Ų61.926%0.25631%0.305SS..  trans-86.8125.4166.700000109.8Y208 E263A181-Y208 CarbonylContact C-O 3.59Å; A181-Y208 VanDerWaalsContact CA-O 3.29Å; A181-Y208 WeakPolarHBondContact CA-O 3.41Å; A181-E263 HydrophobicContact CB-CG 3.95Å; A181-E263 WeakPolarHBondContact CB-OE1 3.32Å
182D98.4Very high97.5Very high36 Ų3665.9 Ų65.919%0.19333%0.332CS..BIsolated β-bridgetrans-97114.7174.3-67.7-34.9000107.6R180 F207 Y208 H262R180-D182 IonicContact CZ-OD1 3.51Å; R180-D182 IonicContact CZ-OD2 3.45Å; R180-D182 IonicContact NE-OD1 3.85Å; R180-D182 PolarHBondContact NE-OD1 2.98Å; R180-D182 IonicContact NE-OD2 3.51Å; R180-D182 IonicContact NH2-OD1 3.26Å; R180-D182 PolarHBondContact NH2-OD1 3Å; R180-D182 IonicContact NH2-OD2 2.7Å; R180-D182 PolarHBondContact NH2-OD2 3.23Å; D182-F207 CarbonylContact O-C 3.55Å; D182-F207 WeakPolarHBondContact O-CA 3.41Å; D182-F207 WeakPolarHBondContact O-CB 3.19Å; D182-Y208 PolarHBondContact N-O 3.02Å; D182-Y208 PolarHBondContact O-N 2.88Å; D182-H262 PolarHBondContact O-CE1 2.9Å
183P98.6Very high97.3Very high64 Ų6465.5 Ų65.542%0.41634%0.337SS..  trans-70.2149.7-176.525.9-33000112.5K185 L265P183-K185 PolarHBondContact O-N 3.25Å; P183-L265 HydrophobicContact CB-CD2 3.9Å; P183-L265 HydrophobicContact CB-CG 4.42Å
184P98.8Very high97.1Very high9 Ų965.7 Ų65.76%0.05834%0.342CS..  trans-66.7135.6179.228.3-35.5000111.9T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 3.97Å; P184-T186 HydrophobicContact CG-CG2 4.14Å; P184-T186 PolarHBondContact O-N 3.14Å; P184-A204 HydrophobicContact CB-CB 3.87Å; P184-F207 HydrophobicContact CB-CB 3.86Å; P184-F207 HydrophobicContact CB-CD1 3.98Å; P184-F207 HydrophobicContact CB-CG 4.19Å; P184-I212 HydrophobicContact CB-CD1 4Å; P184-I212 HydrophobicContact CG-CD1 4.06Å; P184-V260 HydrophobicContact CG-CG1 3.94Å; P184-H262 HydrophobicContact CG-CB 4.04Å; P184-L265 HydrophobicContact CG-CD1 3.9Å; P184-L265 HydrophobicContact CG-CD2 4.47Å; P184-L265 HydrophobicContact CG-CG 4.25Å
185K98.8Very high96.8Very high158 Ų15872.8 Ų72.869%0.68738%0.379SS*.EExtended strand (participates in β ladder)trans-81.1112.6162.8-63.5174.3-172.9169.80107.9P183 L205P183-K185 PolarHBondContact O-N 3.25Å; K185-L205 PolarHBondContact N-O 3.45Å; K185-L205 PolarHBondContact O-N 3.15Å
186T98.7Very high96.7Very high36 Ų3674.8 Ų74.822%0.22139%0.39CS..EExtended strand (participates in β ladder)trans-112.3140.1-171.554.30000112.6P184 W203 A204 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 3.97Å; P184-T186 HydrophobicContact CG-CG2 4.14Å; P184-T186 PolarHBondContact O-N 3.14Å; T186-W203 WeakPolarHBondContact CA-O 3.42Å; T186-A204 HydrophobicContact CG2-CB 4.39Å; T186-V260 HydrophobicContact CG2-CB 4.33Å; T186-V260 HydrophobicContact CG2-CG1 4.05Å; T186-V260 HydrophobicContact CG2-CG2 3.98Å; T186-L269 HydrophobicContact CG2-CD1 4.3Å; T186-L271 WeakPolarHBondContact OG1-CD2 3.13Å
187H98.6Very high96.7Very high78 Ų7871.7 Ų71.736%0.36138%0.375SS..EExtended strand (participates in β ladder)trans-155.9161.1171.563.2-77.5000110.4W203H187-W203 AromaticContact CD2-CD1 3.98Å; H187-W203 VanDerWaalsContact CE1-CB 3.45Å; H187-W203 WeakPolarHBondContact CE1-CB 3.41Å; H187-W203 AromaticContact CE1-CD1 3.97Å; H187-W203 AromaticContact CE1-CG 3.72Å; H187-W203 PolarHBondContact N-O 2.83Å; H187-W203 AromaticContact NE2-CD1 3.5Å; H187-W203 AromaticContact NE2-CG 3.71Å; H187-W203 PolarHBondContact O-N 3.03Å
188V98.8Very high96.8Very high22 Ų2269.7 Ų69.713%0.13336%0.363CS..EExtended strand (participates in β ladder)trans-111.6130.9175.4-176.70000109L200 R201 W216 L271 W273V188-L200 HydrophobicContact CG1-CB 4.37Å; V188-L200 HydrophobicContact CG1-CD2 4.43Å; V188-R201 CarbonylContact C-O 3.5Å; V188-R201 VanDerWaalsContact CA-O 3.32Å; V188-R201 WeakPolarHBondContact CA-O 3.29Å; V188-W216 HydrophobicContact CG1-CH2 3.84Å; V188-W216 HydrophobicContact CG1-CZ2 4.2Å; V188-W216 HydrophobicContact CG2-CH2 4.27Å; V188-L271 HydrophobicContact CG2-CB 3.88Å; V188-W273 HydrophobicContact CG1-CB 3.99Å
189T98.4Very high96.9Very high34 Ų3470.6 Ų70.621%0.20937%0.369CS..EExtended strand (participates in β ladder)trans-106.9148.117165.10000110.4H191 L200 R201 W203T189-H191 PolarHBondContact OG1-NE2 2.87Å; T189-L200 WeakPolarHBondContact O-CA 3.41Å; T189-R201 PolarHBondContact N-O 2.66Å; T189-R201 PolarHBondContact O-N 2.93Å; T189-W203 PolarHBondContact OG1-NE1 2.92Å
190H97.9Very high97.1Very high49 Ų4965.4 Ų65.423%0.22734%0.344CS..EExtended strand (participates in β ladder)trans-118.9127.5179.7170.8-93.8000109.5A198 T199 L200 E253 W273H190-A198 WeakPolarHBondContact NE2-CB 3.36Å; H190-T199 WeakPolarHBondContact CA-O 3.49Å; H190-L200 HydrophobicContact CB-CD2 4.07Å; H190-E253 IonicContact NE2-OE1 3.95Å; H190-W273 HydrophobicContact CB-CD2 3.89Å; H190-W273 VanDerWaalsContact CB-CE2 3.47Å; H190-W273 HydrophobicContact CB-CG 4Å; H190-W273 HydrophobicContact CB-CZ2 3.99Å; H190-W273 VanDerWaalsContact CB-NE1 3.34Å; H190-W273 AromaticContact CG-CE2 3.75Å; H190-W273 AromaticContact CG-CZ2 3.81Å; H190-W273 AromaticContact ND1-CZ2 3.87Å
191H96.7Very high97.1Very high80 Ų8062.6 Ų62.637%0.3733%0.334SS..EExtended strand (participates in β ladder)trans-129.7105-178.8-57.7-74000109.6T189 V193 A198 T199 R201T189-H191 PolarHBondContact OG1-NE2 2.87Å; H191-V193 PolarHBondContact O-N 3.2Å; H191-A198 CarbonylContact O-C 3.55Å; H191-A198 WeakPolarHBondContact O-CA 3.45Å; H191-T199 PolarHBondContact N-O 3.33Å; H191-T199 PolarHBondContact O-N 3.32Å; H191-R201 PolarHBondContact NE2-NH1 3.14Å
192P95.5Very high97.2Very high100 Ų10061.1 Ų61.165%0.64932%0.322SS*.EExtended strand (participates in β ladder)trans-57.2130.8172.4-22.232.3000110.7
193V93.7Very high97.2Very high97 Ų9761.8 Ų61.859%0.58832%0.321SS*.  trans-105.5-40176.5-179.20000110H191 E197 T199H191-V193 PolarHBondContact O-N 3.2Å; V193-E197 PolarHBondContact N-O 3.36Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.28Å
194S93.9Very high97.2Very high53 Ų5358.7 Ų58.737%0.37130%0.302SS..SBendtrans-147.7-178.717572.40000110.6H196 E197S194-H196 PolarHBondContact O-N 3.33Å; S194-H196 VanDerWaalsContact O-N 3.16Å; S194-H196 PolarHBondContact OG-N 2.97Å; S194-H196 VanDerWaalsContact OG-N 3.16Å; S194-E197 PolarHBondContact N-O 2.65Å; S194-E197 VanDerWaalsContact N-O 3.08Å; S194-E197 VanDerWaalsContact O-O 3.13Å; S194-E197 PolarHBondContact OG-N 2.79Å
195D91.8Very high97.2Very high154 Ų15460.9 Ų60.982%0.82431%0.312SS*.SBendtrans-65.2-10.5172.2-65.8-20.9000113.3
196H94.4Very high97.2Very high145 Ų14554.5 Ų54.567%0.67129%0.291SS*.SBendtrans-116.1-15.9-175.3-55.7-44.5000113.4S194 P249 S250S194-H196 PolarHBondContact O-N 3.33Å; S194-H196 VanDerWaalsContact O-N 3.16Å; S194-H196 PolarHBondContact OG-N 2.97Å; S194-H196 VanDerWaalsContact OG-N 3.16Å; H196-P249 CarbonylContact O-C 3.55Å; H196-P249 WeakPolarHBondContact O-CA 3.19Å; H196-S250 VanDerWaalsContact C-OG 3.25Å; H196-S250 PolarHBondContact O-N 2.95Å
197E96Very high97.2Very high93 Ų9352.8 Ų52.844%0.43528%0.281SS..EExtended strand (participates in β ladder)trans-144.2145.7-169.8-66.2-179.5158.200112.4V193 S194 V247 V248 S250V193-E197 PolarHBondContact N-O 3.36Å; S194-E197 PolarHBondContact N-O 2.65Å; S194-E197 VanDerWaalsContact N-O 3.08Å; S194-E197 VanDerWaalsContact O-O 3.13Å; S194-E197 PolarHBondContact OG-N 2.79Å; E197-V247 HydrophobicContact CB-CG1 3.99Å; E197-V247 HydrophobicContact CG-CG1 4.23Å; E197-V248 VanDerWaalsContact CA-O 3.32Å; E197-V248 WeakPolarHBondContact CA-O 3.42Å; E197-S250 PolarHBondContact N-OG 2.99Å
198A97.3Very high97.2Very high1 Ų149.2 Ų49.21%0.00826%0.264CS..EExtended strand (participates in β ladder)trans-134.7155.6170.500000111H190 H191 V247 V248H190-A198 WeakPolarHBondContact NE2-CB 3.36Å; H191-A198 CarbonylContact O-C 3.55Å; H191-A198 WeakPolarHBondContact O-CA 3.45Å; A198-V247 WeakPolarHBondContact O-CA 3.39Å; A198-V248 PolarHBondContact N-O 2.97Å; A198-V248 PolarHBondContact O-N 3.32Å
199T98.4Very high97.2Very high22 Ų2249 Ų4914%0.13526%0.263CS..EExtended strand (participates in β ladder)trans-94.3123.9169.1-56.50000109.8H190 H191 V193 A245 V246H190-T199 WeakPolarHBondContact CA-O 3.49Å; H191-T199 PolarHBondContact N-O 3.33Å; H191-T199 PolarHBondContact O-N 3.32Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.28Å; T199-A245 HydrophobicContact CG2-CB 3.89Å; T199-V246 WeakPolarHBondContact CA-O 3.48Å
200L98.7Very high97.2Very high0 Ų048.2 Ų48.20%026%0.26CS..EExtended strand (participates in β ladder)trans-94.2124.7163.6-62.9-176.3000108.9V188 T189 H190 W216 A245 V246 V248 E253 Y256 W273V188-L200 HydrophobicContact CG1-CB 4.37Å; V188-L200 HydrophobicContact CG1-CD2 4.43Å; T189-L200 WeakPolarHBondContact O-CA 3.41Å; H190-L200 HydrophobicContact CB-CD2 4.07Å; L200-W216 HydrophobicContact CB-CH2 3.7Å; L200-W216 HydrophobicContact CB-CZ2 3.76Å; L200-W216 HydrophobicContact CB-CZ3 4.48Å; L200-W216 HydrophobicContact CD1-CH2 4.03Å; L200-W216 HydrophobicContact CD1-CZ3 4.19Å; L200-A245 CarbonylContact O-C 3.58Å; L200-A245 WeakPolarHBondContact O-CA 3.38Å; L200-V246 HydrophobicContact CB-CG2 4.21Å; L200-V246 PolarHBondContact N-O 3.49Å; L200-V246 PolarHBondContact O-N 3.13Å; L200-V248 HydrophobicContact CD1-CG1 3.98Å; L200-V248 HydrophobicContact CD1-CG2 4.05Å; L200-V248 HydrophobicContact CG-CG1 4.13Å; L200-V248 HydrophobicContact CG-CG2 3.85Å; L200-E253 HydrophobicContact CD1-CB 4.19Å; L200-E253 HydrophobicContact CD2-CG 4.36Å; L200-Y256 HydrophobicContact CD1-CG 4.5Å; L200-W273 HydrophobicContact CD2-CB 3.91Å; L200-W273 HydrophobicContact CD2-CG 4.17Å
201R98.8Very high97.2Very high53 Ų5352.8 Ų52.820%0.228%0.282CS..EExtended strand (participates in β ladder)trans-119.7117.7177-175.8178.8-66.7117.4-0.2110.4V188 T189 H191 W203 W243 A245V188-R201 CarbonylContact C-O 3.5Å; V188-R201 VanDerWaalsContact CA-O 3.32Å; V188-R201 WeakPolarHBondContact CA-O 3.29Å; T189-R201 PolarHBondContact N-O 2.66Å; T189-R201 PolarHBondContact O-N 2.93Å; H191-R201 PolarHBondContact NE2-NH1 3.14Å; R201-W203 VanDerWaalsContact CD-NE1 3.35Å; R201-W203 HydrophobicContact CG-CZ2 4.41Å; R201-W243 HydrophobicContact CG-CB 3.96Å; R201-W243 HydrophobicContact CG-CD2 4.14Å; R201-W243 HydrophobicContact CG-CE3 3.97Å; R201-W243 HydrophobicContact CG-CG 4.19Å; R201-A245 HydrophobicContact CB-CB 4.13Å; R201-A245 HydrophobicContact CG-CB 4.19Å
202C98.8Very high97.3Very high0 Ų049.5 Ų49.50%027%0.267CS..EExtended strand (participates in β ladder)trans-90.7121.8174.3-172.90000109.7W216 W243 A244 C258C202-W216 HydrophobicContact CB-CZ2 3.66Å; C202-W243 CarbonylContact O-C 3.54Å; C202-W243 WeakPolarHBondContact O-CA 3.18Å; C202-W243 VanDerWaalsContact O-CB 3.25Å; C202-W243 WeakPolarHBondContact O-CB 3.46Å; C202-A244 PolarHBondContact N-O 3.26Å; C202-A244 PolarHBondContact O-N 2.7Å; C202-C258 HydrophobicContact CB-CB 3.5Å; C202-C258 WeakPolarHBondContact CB-SG 3.47Å; C202-C258 WeakPolarHBondContact SG-CB 3.45Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 2.92Å
203W98.8Very high97.4Very high49 Ų4947.4 Ų47.419%0.18625%0.252CS..EExtended strand (participates in β ladder)trans-103.2142.2179.8-70.690.2000111T186 H187 T189 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.42Å; H187-W203 AromaticContact CD2-CD1 3.98Å; H187-W203 VanDerWaalsContact CE1-CB 3.45Å; H187-W203 WeakPolarHBondContact CE1-CB 3.41Å; H187-W203 AromaticContact CE1-CD1 3.97Å; H187-W203 AromaticContact CE1-CG 3.72Å; H187-W203 PolarHBondContact N-O 2.83Å; H187-W203 AromaticContact NE2-CD1 3.5Å; H187-W203 AromaticContact NE2-CG 3.71Å; H187-W203 PolarHBondContact O-N 3.03Å; T189-W203 PolarHBondContact OG1-NE1 2.92Å; R201-W203 VanDerWaalsContact CD-NE1 3.35Å; R201-W203 HydrophobicContact CG-CZ2 4.41Å; W203-L205 HydrophobicContact CE3-CD2 3.88Å; W203-L205 HydrophobicContact CZ3-CD2 4.4Å; W203-W243 HydrophobicContact CD2-CB 3.98Å; W203-W243 HydrophobicContact CE3-CB 3.89Å; W203-W243 AromaticContact CE3-CD1 3.96Å; W203-W243 HydrophobicContact CE3-CG 4.26Å; W203-W243 HydrophobicContact CG-CB 4.43Å; W203-W243 AromaticContact CH2-CD1 3.63Å; W203-W243 HydrophobicContact CH2-CG 4.28Å; W203-W243 HydrophobicContact CZ3-CB 4.28Å; W203-W243 AromaticContact CZ3-CD1 3.45Å; W203-W243 VanDerWaalsContact CZ3-CD1 3.45Å; W203-W243 HydrophobicContact CZ3-CG 4.14Å
204A98.9Very high97.7Very high0 Ų043.1 Ų43.10%023%0.226CC..EExtended strand (participates in β ladder)trans-125.8122.916200000108.1P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.87Å; T186-A204 HydrophobicContact CG2-CB 4.39Å; A204-F207 HydrophobicContact CB-CD1 4.06Å; A204-F207 HydrophobicContact CB-CE1 3.85Å; A204-F207 WeakPolarHBondContact O-CE1 3.01Å; A204-I212 HydrophobicContact CB-CD1 3.62Å; A204-L214 HydrophobicContact CB-CD1 3.97Å; A204-L214 HydrophobicContact CB-CD2 4.08Å; A204-L214 HydrophobicContact CB-CG 4.48Å; A204-Q241 VanDerWaalsContact O-CA 3.31Å; A204-Q241 WeakPolarHBondContact O-CA 3.46Å; A204-K242 PolarHBondContact N-O 2.94Å; A204-K242 PolarHBondContact O-N 3.27Å; A204-K242 VanDerWaalsContact O-O 3.11Å
205L98.8Very high97.9Very high54 Ų5442.5 Ų42.528%0.28322%0.22SC..EExtended strand (participates in β ladder)trans-130.2149-175-59.1176.9000111.1K185 W203 F207 Q241K185-L205 PolarHBondContact N-O 3.45Å; K185-L205 PolarHBondContact O-N 3.15Å; W203-L205 HydrophobicContact CE3-CD2 3.88Å; W203-L205 HydrophobicContact CZ3-CD2 4.4Å; L205-F207 VanDerWaalsContact C-N 3.32Å; L205-F207 PolarHBondContact O-N 2.86Å; L205-Q241 HydrophobicContact CD2-CB 3.57Å
206G98.5Very high98.2Very high24 Ų2435.3 Ų35.325%0.24718%0.181CC..EExtended strand (participates in β ladder)trans70.227.8167.600000114T239 F240G206-T239 WeakPolarHBondContact CA-OG1 3.29Å; G206-F240 PolarHBondContact N-O 3.02Å
207F98.8Very high98.4Very high0 Ų030.4 Ų30.40%016%0.159CC..EExtended strand (participates in β ladder)trans-99.3153.7-179.160.4-88.8000112.7D182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262D182-F207 CarbonylContact O-C 3.55Å; D182-F207 WeakPolarHBondContact O-CA 3.41Å; D182-F207 WeakPolarHBondContact O-CB 3.19Å; P184-F207 HydrophobicContact CB-CB 3.86Å; P184-F207 HydrophobicContact CB-CD1 3.98Å; P184-F207 HydrophobicContact CB-CG 4.19Å; A204-F207 HydrophobicContact CB-CD1 4.06Å; A204-F207 HydrophobicContact CB-CE1 3.85Å; A204-F207 WeakPolarHBondContact O-CE1 3.01Å; L205-F207 VanDerWaalsContact C-N 3.32Å; L205-F207 PolarHBondContact O-N 2.86Å; F207-P209 VanDerWaalsContact CD2-O 3.3Å; F207-P209 WeakPolarHBondContact CD2-O 3.47Å; F207-I212 HydrophobicContact CD1-CD1 3.85Å; F207-I212 HydrophobicContact CD2-CB 4.25Å; F207-I212 HydrophobicContact CD2-CD1 3.95Å; F207-I212 HydrophobicContact CE1-CD1 3.79Å; F207-I212 HydrophobicContact CE1-CG2 4.46Å; F207-I212 HydrophobicContact CE2-CB 3.75Å; F207-I212 HydrophobicContact CE2-CD1 3.92Å; F207-I212 HydrophobicContact CE2-CG1 4.42Å; F207-I212 HydrophobicContact CE2-CG2 3.59Å; F207-I212 HydrophobicContact CG-CD1 3.95Å; F207-I212 HydrophobicContact CZ-CB 4.15Å; F207-I212 HydrophobicContact CZ-CD1 3.86Å; F207-I212 HydrophobicContact CZ-CG2 3.57Å; F207-T232 HydrophobicContact CE2-CG2 4.08Å; F207-T232 HydrophobicContact CZ-CG2 3.9Å; F207-T239 CarbonylContact O-C 3.59Å; F207-T239 WeakPolarHBondContact O-CA 3.3Å; F207-F240 VanDerWaalsContact CD1-O 3.29Å; F207-F240 WeakPolarHBondContact CD1-O 3.45Å; F207-F240 HydrophobicContact CD2-CB 3.93Å; F207-F240 HydrophobicContact CE1-CB 4.23Å; F207-F240 WeakPolarHBondContact CE1-O 3.25Å; F207-F240 HydrophobicContact CE2-CB 3.47Å; F207-F240 VanDerWaalsContact CE2-CB 3.47Å; F207-F240 HydrophobicContact CE2-CG 4.45Å; F207-F240 HydrophobicContact CG-CB 4.46Å; F207-F240 HydrophobicContact CZ-CB 3.62Å; F207-F240 PolarHBondContact N-O 3.42Å; F207-F240 PolarHBondContact O-N 3.5Å; F207-K242 HydrophobicContact CE1-CB 4.35Å; F207-K242 HydrophobicContact CZ-CB 4.11Å; F207-H262 AromaticContact CD2-CD2 3.85Å; F207-H262 AromaticContact CD2-NE2 3.79Å
208Y98.6Very high98.5Very high3 Ų329.4 Ų29.41%0.01215%0.151CC..BIsolated β-bridgetrans-149.4136.9172.2178.4-85.8000108.3D29 T30 R180 A181 D182 R238 F240 H262D29-Y208 HydrophobicContact CB-CE2 3.77Å; T30-Y208 PolarHBondContact OG1-OH 3.08Å; R180-Y208 WeakPolarHBondContact O-CD1 3.37Å; A181-Y208 CarbonylContact C-O 3.59Å; A181-Y208 VanDerWaalsContact CA-O 3.29Å; A181-Y208 WeakPolarHBondContact CA-O 3.41Å; D182-Y208 PolarHBondContact N-O 3.02Å; D182-Y208 PolarHBondContact O-N 2.88Å; Y208-R238 HydrophobicContact CD2-CG 3.9Å; Y208-R238 HydrophobicContact CE2-CG 4.07Å; Y208-R238 VanDerWaalsContact CZ-NH2 3.26Å; Y208-F240 HydrophobicContact CD2-CD2 4.49Å; Y208-F240 HydrophobicContact CD2-CE2 4.04Å; Y208-F240 HydrophobicContact CE2-CE2 4.46Å; Y208-H262 PolarHBondContact O-CE1 3.47Å; Y208-H262 PolarHBondContact O-NE2 3.33Å
209P98.3Very high98.5Very high17 Ų1734.1 Ų34.111%0.1118%0.176CC..SBendcis-71.1-176.80.630.3-37.3000113.7D29 F207 E211 H262 E263D29-P209 WeakPolarHBondContact OD2-CB 3.46Å; F207-P209 VanDerWaalsContact CD2-O 3.3Å; F207-P209 WeakPolarHBondContact CD2-O 3.47Å; P209-E211 VanDerWaalsContact C-N 3.31Å; P209-E211 PolarHBondContact O-N 3.23Å; P209-H262 PolarHBondContact O-NE2 3.16Å; P209-E263 WeakPolarHBondContact CD-OE1 3.36Å; P209-E263 HydrophobicContact CG-CG 3.84Å; P209-E263 WeakPolarHBondContact CG-OE1 3.48Å
210A98.4Very high98.3Very high18 Ų1835.4 Ų35.415%0.14919%0.193CC..SBendtrans-71.2-23.7-176.200000113.8D29 I212 T232 F240D29-A210 WeakPolarHBondContact OD2-CB 3.44Å; D29-A210 PolarHBondContact OD2-N 3.22Å; A210-I212 PolarHBondContact O-N 2.82Å; A210-T232 HydrophobicContact CB-CG2 4.32Å; A210-F240 HydrophobicContact CB-CD1 3.77Å; A210-F240 HydrophobicContact CB-CD2 3.78Å; A210-F240 HydrophobicContact CB-CE1 3.68Å; A210-F240 HydrophobicContact CB-CE2 3.7Å; A210-F240 HydrophobicContact CB-CG 3.83Å; A210-F240 HydrophobicContact CB-CZ 3.67Å
211E98.4Very high98.2Very high145 Ų14542.3 Ų42.368%0.67823%0.226SC*.  trans-66.6118.4-178.6-173.657.5-142.700110.6P209 H262P209-E211 VanDerWaalsContact C-N 3.31Å; P209-E211 PolarHBondContact O-N 3.23Å; E211-H262 PolarHBondContact O-CD2 3.25Å; E211-H262 VanDerWaalsContact O-CD2 3.31Å
212I98.6Very high98.1Very high12 Ų1244.2 Ų44.26%0.06224%0.24CC..  trans-154143.6-178.4-162.9171.4000109.8P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 4Å; P184-I212 HydrophobicContact CG-CD1 4.06Å; A204-I212 HydrophobicContact CB-CD1 3.62Å; F207-I212 HydrophobicContact CD1-CD1 3.85Å; F207-I212 HydrophobicContact CD2-CB 4.25Å; F207-I212 HydrophobicContact CD2-CD1 3.95Å; F207-I212 HydrophobicContact CE1-CD1 3.79Å; F207-I212 HydrophobicContact CE1-CG2 4.46Å; F207-I212 HydrophobicContact CE2-CB 3.75Å; F207-I212 HydrophobicContact CE2-CD1 3.92Å; F207-I212 HydrophobicContact CE2-CG1 4.42Å; F207-I212 HydrophobicContact CE2-CG2 3.59Å; F207-I212 HydrophobicContact CG-CD1 3.95Å; F207-I212 HydrophobicContact CZ-CB 4.15Å; F207-I212 HydrophobicContact CZ-CD1 3.86Å; F207-I212 HydrophobicContact CZ-CG2 3.57Å; A210-I212 PolarHBondContact O-N 2.82Å; I212-L214 HydrophobicContact CB-CD1 4.4Å; I212-L214 HydrophobicContact CD1-CD1 3.61Å; I212-L214 HydrophobicContact CG1-CD1 3.61Å; I212-L214 HydrophobicContact CG2-CD1 4.01Å; I212-K242 HydrophobicContact CG2-CB 4.32Å; I212-K242 HydrophobicContact CG2-CD 3.62Å; I212-V260 HydrophobicContact CD1-CG1 4.08Å; I212-V260 HydrophobicContact CG1-CG1 4.37Å; I212-Q261 VanDerWaalsContact CG1-O 3.28Å; I212-Q261 WeakPolarHBondContact CG1-O 3.34Å; I212-H262 HydrophobicContact CD1-CB 4.41Å; I212-H262 HydrophobicContact CG1-CB 4.15Å
213T98.6Very high98.1Very high56 Ų5645.5 Ų45.534%0.34425%0.246SC..EExtended strand (participates in β ladder)trans-113.8122.8172.9-60.30000110.1T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 4.03Å; T213-V260 WeakPolarHBondContact O-CA 3.23Å; T213-Q261 PolarHBondContact N-O 3.12Å; T213-Q261 PolarHBondContact O-N 3.2Å
214L98.5Very high97.8Very high7 Ų748.4 Ų48.44%0.03727%0.269CS..EExtended strand (participates in β ladder)trans-118.4124172-84.963.8000108.1A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 3.97Å; A204-L214 HydrophobicContact CB-CD2 4.08Å; A204-L214 HydrophobicContact CB-CG 4.48Å; I212-L214 HydrophobicContact CB-CD1 4.4Å; I212-L214 HydrophobicContact CD1-CD1 3.61Å; I212-L214 HydrophobicContact CG1-CD1 3.61Å; I212-L214 HydrophobicContact CG2-CD1 4.01Å; L214-L229 HydrophobicContact CB-CD1 4.29Å; L214-K242 HydrophobicContact CD1-CD 4.26Å; L214-K242 HydrophobicContact CD2-CB 4.33Å; L214-K242 HydrophobicContact CD2-CG 4.41Å; L214-A244 HydrophobicContact CB-CB 4.02Å; L214-A244 HydrophobicContact CD2-CB 4.36Å; L214-H259 WeakPolarHBondContact CA-O 3.37Å; L214-V260 HydrophobicContact CD1-CG1 4.18Å; L214-V260 HydrophobicContact CG-CG2 4.37Å
215T98.4Very high97.6Very high40 Ų4057.3 Ų57.325%0.24531%0.311CS..EExtended strand (participates in β ladder)trans-135.9145.4179.147.40000110.6T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 4.03Å; T215-C258 CarbonylContact O-C 3.49Å; T215-C258 WeakPolarHBondContact O-CA 3.47Å; T215-H259 PolarHBondContact N-O 2.62Å; T215-H259 PolarHBondContact O-N 2.9Å; T215-H259 WeakPolarHBondContact OG1-CB 3.33Å
216W98.6Very high97.3Very high2 Ų260.2 Ų60.21%0.00833%0.326CS..EExtended strand (participates in β ladder)trans-102.9136.9169.4-83.1105.4000109.7V188 L200 C202 Q223 A244 V246 T257 C258V188-W216 HydrophobicContact CG1-CH2 3.84Å; V188-W216 HydrophobicContact CG1-CZ2 4.2Å; V188-W216 HydrophobicContact CG2-CH2 4.27Å; L200-W216 HydrophobicContact CB-CH2 3.7Å; L200-W216 HydrophobicContact CB-CZ2 3.76Å; L200-W216 HydrophobicContact CB-CZ3 4.48Å; L200-W216 HydrophobicContact CD1-CH2 4.03Å; L200-W216 HydrophobicContact CD1-CZ3 4.19Å; C202-W216 HydrophobicContact CB-CZ2 3.66Å; W216-Q223 HydrophobicContact CB-CB 4.33Å; W216-Q223 PolarHBondContact O-N 2.83Å; W216-A244 PolarHBondContact NE1-O 2.68Å; W216-V246 HydrophobicContact CB-CG1 3.7Å; W216-V246 HydrophobicContact CB-CG2 4.37Å; W216-V246 HydrophobicContact CD2-CG1 4.45Å; W216-V246 HydrophobicContact CD2-CG2 3.67Å; W216-V246 HydrophobicContact CE3-CG2 4.09Å; W216-V246 HydrophobicContact CG-CB 4.4Å; W216-V246 HydrophobicContact CG-CG1 3.69Å; W216-V246 HydrophobicContact CG-CG2 3.8Å; W216-V246 HydrophobicContact CZ2-CG2 4.41Å; W216-T257 WeakPolarHBondContact CA-O 3.5Å; W216-C258 HydrophobicContact CD2-CB 4.17Å; W216-C258 HydrophobicContact CE3-CB 4.12Å; W216-C258 HydrophobicContact CH2-CB 4Å; W216-C258 HydrophobicContact CZ2-CB 4.05Å; W216-C258 HydrophobicContact CZ3-CB 4.03Å
217Q98.5Very high97.3Very high43 Ų4360.2 Ų60.220%0.20132%0.322CS..EExtended strand (participates in β ladder)trans-119.3144.8171-69.1-173.9-1100110.2E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.58Å; Q217-E221 WeakPolarHBondContact CA-O 3.35Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.36Å; Q217-D222 PolarHBondContact NE2-OD1 3.37Å; Q217-Y256 CarbonylContact O-C 3.55Å; Q217-Y256 VanDerWaalsContact O-CA 3.23Å; Q217-Y256 WeakPolarHBondContact O-CA 3.5Å; Q217-T257 PolarHBondContact N-O 2.89Å; Q217-T257 PolarHBondContact O-N 2.97Å; Q217-H259 PolarHBondContact OE1-CE1 3.19Å; Q217-H259 PolarHBondContact OE1-NE2 3.01Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.16Å
218R98.1Very high97.2Very high72 Ų7265.7 Ų65.727%0.27235%0.348SS..EExtended strand (participates in β ladder)trans-116.7119.6167.7-176.4-171.3-175.1-179.80107.9G220 E221 Q223 E252 R255 Y256R218-G220 PolarHBondContact O-N 2.87Å; R218-E221 PolarHBondContact N-O 3.01Å; R218-E221 PolarHBondContact O-N 2.66Å; R218-Q223 HydrophobicContact CB-CG 4Å; R218-E252 IonicContact CZ-OE2 3.51Å; R218-E252 IonicContact NE-OE2 3.68Å; R218-E252 IonicContact NH2-OE1 3.77Å; R218-E252 IonicContact NH2-OE2 2.68Å; R218-E252 PolarHBondContact NH2-OE2 3.34Å; R218-R255 WeakPolarHBondContact CA-O 3.45Å; R218-R255 HydrophobicContact CG-CB 4.39Å; R218-Y256 HydrophobicContact CB-CD1 4.08Å; R218-Y256 HydrophobicContact CB-CE1 3.85Å; R218-Y256 WeakPolarHBondContact CD-OH 3.36Å; R218-Y256 HydrophobicContact CG-CD1 4.46Å; R218-Y256 HydrophobicContact CG-CD2 4.48Å; R218-Y256 HydrophobicContact CG-CE1 4.05Å; R218-Y256 HydrophobicContact CG-CE2 4.05Å
219D96.9Very high97.2Very high100 Ų10069.9 Ų69.954%0.53537%0.37SS..THydrogen-bonded Turntrans51.328.8-174.9-52.7-49.8000114.1R255D219-R255 PolarHBondContact N-O 3.48Å; D219-R255 IonicContact OD1-NE 2.78Å; D219-R255 PolarHBondContact OD1-NE 3.01Å; D219-R255 IonicContact OD2-CZ 3.55Å; D219-R255 IonicContact OD2-NE 2.78Å; D219-R255 PolarHBondContact OD2-NE 3.04Å; D219-R255 IonicContact OD2-NH2 3.74Å; D219-R255 PolarHBondContact OD2-NH2 2.83Å
220G93.9Very high97.2Very high48 Ų4870.7 Ų70.750%0.49537%0.374SS..THydrogen-bonded Turntrans90.7-0.8-177.700000115.6R218R218-G220 PolarHBondContact O-N 2.87Å
221E97.3Very high97.2Very high145 Ų14578 Ų7868%0.67841%0.405SS*.EExtended strand (participates in β ladder)trans-99.5128.7177.2-63.3-171.7171.100112.2Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.58Å; Q217-E221 WeakPolarHBondContact CA-O 3.35Å; R218-E221 PolarHBondContact N-O 3.01Å; R218-E221 PolarHBondContact O-N 2.66Å; E221-Q223 PolarHBondContact O-NE2 2.83Å
222D97.2Very high97.2Very high94 Ų9473.2 Ų73.250%0.50339%0.386SS..EExtended strand (participates in β ladder)trans-61.5132.9-179.3-70.3-15.1000112.3Q217Q217-D222 WeakPolarHBondContact CG-OD1 3.36Å; Q217-D222 PolarHBondContact NE2-OD1 3.37Å
223Q97Very high97.2Very high27 Ų2777.1 Ų77.113%0.12640%0.4CS..  trans-102.441-177.3-58-61.3-7300112.1W216 R218 E221 Q225 D226 T227 V246 Y256W216-Q223 HydrophobicContact CB-CB 4.33Å; W216-Q223 PolarHBondContact O-N 2.83Å; R218-Q223 HydrophobicContact CB-CG 4Å; E221-Q223 PolarHBondContact O-NE2 2.83Å; Q223-Q225 VanDerWaalsContact C-N 3.31Å; Q223-Q225 PolarHBondContact O-N 2.99Å; Q223-D226 PolarHBondContact O-N 3.47Å; Q223-T227 WeakPolarHBondContact O-CB 3.3Å; Q223-T227 PolarHBondContact O-N 2.83Å; Q223-T227 PolarHBondContact O-OG1 2.85Å; Q223-V246 HydrophobicContact CB-CG1 4.37Å; Q223-Y256 HydrophobicContact CG-CE1 4.43Å
224T93.6Very high97.1Very high109 Ų10978.9 Ų78.967%0.66941%0.413SS*.THydrogen-bonded Turntrans-59.2-36.8-169.9-49.20000113.9
225Q94.3Very high97.1Very high188 Ų18881 Ų8188%0.87943%0.431SS*.THydrogen-bonded Turntrans-74.9-30.5-179.2-66.5-173.3-2.900112.9Q223Q223-Q225 VanDerWaalsContact C-N 3.31Å; Q223-Q225 PolarHBondContact O-N 2.99Å
226D93.3Very high97Very high114 Ų11482.9 Ų82.961%0.6146%0.458SS*.THydrogen-bonded Turntrans-96.5-1.6-176.4-55.2-59.9000112.7Q223Q223-D226 PolarHBondContact O-N 3.47Å
227T97.3Very high96.9Very high25 Ų2587.9 Ų87.915%0.15349%0.485CS..  trans-91.5119.9179.8-62.40000110.7Q223 L229 A244 A245 V246Q223-T227 WeakPolarHBondContact O-CB 3.3Å; Q223-T227 PolarHBondContact O-N 2.83Å; Q223-T227 PolarHBondContact O-OG1 2.85Å; T227-L229 HydrophobicContact CG2-CB 4.4Å; T227-L229 PolarHBondContact O-N 2.74Å; T227-A244 HydrophobicContact CG2-CB 3.88Å; T227-A245 CarbonylContact C-O 3.53Å; T227-A245 WeakPolarHBondContact CA-O 3.45Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.32Å
228E97.9Very high96.7Very high115 Ų11588.7 Ų88.754%0.53749%0.486SS..EExtended strand (participates in β ladder)trans-76.5112162.8-172.6-174.6-17300108.9W243 A244 A245E228-W243 HydrophobicContact CB-CZ3 4.15Å; E228-W243 HydrophobicContact CG-CH2 3.84Å; E228-W243 HydrophobicContact CG-CZ3 3.83Å; E228-W243 WeakPolarHBondContact O-CZ3 3.44Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.33Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.32Å; E228-A244 CarbonylContact O-C 3.49Å; E228-A244 WeakPolarHBondContact O-CA 3.38Å; E228-A245 HydrophobicContact CB-CB 4.48Å; E228-A245 PolarHBondContact N-O 2.79Å; E228-A245 PolarHBondContact O-N 3.31Å
229L98Very high96.7Very high91 Ų9186.1 Ų86.148%0.47648%0.479SS..EExtended strand (participates in β ladder)trans-118.3118.7-178.8-172.768.9000110.2L214 T227 K242 A244L214-L229 HydrophobicContact CB-CD1 4.29Å; T227-L229 HydrophobicContact CG2-CB 4.4Å; T227-L229 PolarHBondContact O-N 2.74Å; L229-K242 HydrophobicContact CD1-CD 4.48Å; L229-A244 HydrophobicContact CD1-CB 3.62Å
230V97.9Very high96.8Very high33 Ų3382.7 Ų82.720%0.246%0.459CS..PPolyproline II helixtrans-82.3153.5175.8-65.60000112.2K242 W243V230-K242 HydrophobicContact CG2-CG 4.4Å; V230-K242 WeakPolarHBondContact O-CE 3.02Å; V230-K242 PolarHBondContact O-NZ 2.94Å; V230-W243 HydrophobicContact CB-CZ2 4.41Å; V230-W243 HydrophobicContact CG1-CD2 3.96Å; V230-W243 HydrophobicContact CG1-CE3 4.35Å; V230-W243 HydrophobicContact CG1-CH2 3.64Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.19Å; V230-W243 HydrophobicContact CG2-CD2 3.81Å; V230-W243 HydrophobicContact CG2-CG 3.76Å; V230-W243 HydrophobicContact CG2-CZ2 4.46Å; V230-W243 WeakPolarHBondContact CG2-O 3.38Å; V230-W243 PolarHBondContact N-O 3.45Å
231E98Very high97.1Very high171 Ų17182.6 Ų82.680%0.79945%0.445SS*.PPolyproline II helixtrans-55.7146.2166.6-69-174.2174.600111R233E231-R233 PolarHBondContact O-N 2.82Å
232T98.6Very high97.1Very high45 Ų4576.8 Ų76.828%0.27642%0.418SS..PPolyproline II helixtrans-67.1128.4172.7-57.40000108.2F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.08Å; F207-T232 HydrophobicContact CZ-CG2 3.9Å; A210-T232 HydrophobicContact CB-CG2 4.32Å; T232-F240 HydrophobicContact CG2-CB 3.81Å; T232-F240 HydrophobicContact CG2-CD1 3.89Å; T232-F240 HydrophobicContact CG2-CG 4.12Å; T232-K242 WeakPolarHBondContact OG1-CD 2.93Å; T232-K242 PolarHBondContact OG1-NZ 2.78Å; T232-K242 VanDerWaalsContact OG1-NZ 3.15Å
233R98.4Very high97.2Very high94 Ų9473.4 Ų73.436%0.35540%0.398SS..EExtended strand (participates in β ladder)trans-126.5145.1-173.668.8-169.3-176.8-162.9-0.6111.6E231 F240 Q241E231-R233 PolarHBondContact O-N 2.82Å; R233-F240 WeakPolarHBondContact O-CA 3.39Å; R233-Q241 HydrophobicContact CG-CG 3.58Å; R233-Q241 PolarHBondContact N-O 3.1Å; R233-Q241 VanDerWaalsContact NE-NE2 3.14Å; R233-Q241 WeakPolarHBondContact O-CG 3.4Å; R233-Q241 PolarHBondContact O-N 2.81Å
234P98.3Very high97.3Very high94 Ų9472.1 Ų72.161%0.6139%0.392SS*.EExtended strand (participates in β ladder)trans-69.5145.9179.329.3-35000111.2F240P234-F240 HydrophobicContact CB-CE1 4.37Å
235A97.8Very high97.5Very high51 Ų5167.1 Ų67.142%0.42136%0.362SS..  trans-90.3-15172.700000113D237 T239A235-D237 WeakPolarHBondContact CB-OD1 3.35Å; A235-T239 WeakPolarHBondContact CB-O 3.31Å; A235-T239 WeakPolarHBondContact CB-OG1 3.45Å; A235-T239 PolarHBondContact N-O 2.02Å
236G96.1Very high97.7Very high79 Ų7958.3 Ų58.381%0.81432%0.321SS*.SBendtrans94.3-4.9179.900000114.6
237D96Very high97.9Very high108 Ų10856.7 Ų56.758%0.57832%0.315SS*.SBendtrans-116.631.4-179.564.9-2.8000112A235 T239A235-D237 WeakPolarHBondContact CB-OD1 3.35Å; D237-T239 PolarHBondContact O-N 2.93Å; D237-T239 WeakPolarHBondContact OD1-CB 3.29Å; D237-T239 PolarHBondContact OD1-N 2.98Å; D237-T239 VanDerWaalsContact OD1-N 3.1Å; D237-T239 PolarHBondContact OD1-OG1 3.37Å
238R95.6Very high98Very high60 Ų6055.5 Ų55.523%0.22631%0.308CS..SBendtrans74.3-20.3-169.6-178.3-178.4177.4-128.4-8.8115.2T30 T177 Y208T30-R238 PolarHBondContact OG1-NE 2.96Å; T177-R238 VanDerWaalsContact CB-NH1 3.31Å; T177-R238 PolarHBondContact O-NH1 3.01Å; T177-R238 PolarHBondContact O-NH2 3.39Å; Y208-R238 HydrophobicContact CD2-CG 3.9Å; Y208-R238 HydrophobicContact CE2-CG 4.07Å; Y208-R238 VanDerWaalsContact CZ-NH2 3.26Å
239T98.4Very high97.9Very high18 Ų1852.2 Ų52.211%0.1130%0.296CS..  trans-85.9168.7-178.875.30000112.9G206 F207 A235 D237G206-T239 WeakPolarHBondContact CA-OG1 3.29Å; F207-T239 CarbonylContact O-C 3.59Å; F207-T239 WeakPolarHBondContact O-CA 3.3Å; A235-T239 WeakPolarHBondContact CB-O 3.31Å; A235-T239 WeakPolarHBondContact CB-OG1 3.45Å; A235-T239 PolarHBondContact N-O 2.02Å; D237-T239 PolarHBondContact O-N 2.93Å; D237-T239 WeakPolarHBondContact OD1-CB 3.29Å; D237-T239 PolarHBondContact OD1-N 2.98Å; D237-T239 VanDerWaalsContact OD1-N 3.1Å; D237-T239 PolarHBondContact OD1-OG1 3.37Å
240F98.8Very high97.8Very high27 Ų2750.7 Ų50.712%0.11829%0.293CS..EExtended strand (participates in β ladder)trans-118.7162.9179.6-64.5-87.9000111.7D29 G206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.78Å; D29-F240 HydrophobicContact CB-CZ 3.76Å; G206-F240 PolarHBondContact N-O 3.02Å; F207-F240 VanDerWaalsContact CD1-O 3.29Å; F207-F240 WeakPolarHBondContact CD1-O 3.45Å; F207-F240 HydrophobicContact CD2-CB 3.93Å; F207-F240 HydrophobicContact CE1-CB 4.23Å; F207-F240 WeakPolarHBondContact CE1-O 3.25Å; F207-F240 HydrophobicContact CE2-CB 3.47Å; F207-F240 VanDerWaalsContact CE2-CB 3.47Å; F207-F240 HydrophobicContact CE2-CG 4.45Å; F207-F240 HydrophobicContact CG-CB 4.46Å; F207-F240 HydrophobicContact CZ-CB 3.62Å; F207-F240 PolarHBondContact N-O 3.42Å; F207-F240 PolarHBondContact O-N 3.5Å; Y208-F240 HydrophobicContact CD2-CD2 4.49Å; Y208-F240 HydrophobicContact CD2-CE2 4.04Å; Y208-F240 HydrophobicContact CE2-CE2 4.46Å; A210-F240 HydrophobicContact CB-CD1 3.77Å; A210-F240 HydrophobicContact CB-CD2 3.78Å; A210-F240 HydrophobicContact CB-CE1 3.68Å; A210-F240 HydrophobicContact CB-CE2 3.7Å; A210-F240 HydrophobicContact CB-CG 3.83Å; A210-F240 HydrophobicContact CB-CZ 3.67Å; T232-F240 HydrophobicContact CG2-CB 3.81Å; T232-F240 HydrophobicContact CG2-CD1 3.89Å; T232-F240 HydrophobicContact CG2-CG 4.12Å; R233-F240 WeakPolarHBondContact O-CA 3.39Å; P234-F240 HydrophobicContact CB-CE1 4.37Å
241Q98.7Very high97.7Very high46 Ų4652.3 Ų52.322%0.21532%0.317CS..EExtended strand (participates in β ladder)trans-140.1146.6173.944.4166.8-17.300110.1A204 L205 R233A204-Q241 VanDerWaalsContact O-CA 3.31Å; A204-Q241 WeakPolarHBondContact O-CA 3.46Å; L205-Q241 HydrophobicContact CD2-CB 3.57Å; R233-Q241 HydrophobicContact CG-CG 3.58Å; R233-Q241 PolarHBondContact N-O 3.1Å; R233-Q241 VanDerWaalsContact NE-NE2 3.14Å; R233-Q241 WeakPolarHBondContact O-CG 3.4Å; R233-Q241 PolarHBondContact O-N 2.81Å
242K98.8Very high97.6Very high23 Ų2346.8 Ų46.810%0.129%0.291CS..EExtended strand (participates in β ladder)trans-151.2154.2177-162.2-176.8-171.669.30109.1A204 F207 I212 L214 L229 V230 T232A204-K242 PolarHBondContact N-O 2.94Å; A204-K242 PolarHBondContact O-N 3.27Å; A204-K242 VanDerWaalsContact O-O 3.11Å; F207-K242 HydrophobicContact CE1-CB 4.35Å; F207-K242 HydrophobicContact CZ-CB 4.11Å; I212-K242 HydrophobicContact CG2-CB 4.32Å; I212-K242 HydrophobicContact CG2-CD 3.62Å; L214-K242 HydrophobicContact CD1-CD 4.26Å; L214-K242 HydrophobicContact CD2-CB 4.33Å; L214-K242 HydrophobicContact CD2-CG 4.41Å; L229-K242 HydrophobicContact CD1-CD 4.48Å; V230-K242 HydrophobicContact CG2-CG 4.4Å; V230-K242 WeakPolarHBondContact O-CE 3.02Å; V230-K242 PolarHBondContact O-NZ 2.94Å; T232-K242 WeakPolarHBondContact OG1-CD 2.93Å; T232-K242 PolarHBondContact OG1-NZ 2.78Å; T232-K242 VanDerWaalsContact OG1-NZ 3.15Å
243W98.7Very high97.6Very high24 Ų2445.7 Ų45.79%0.09128%0.283CS..EExtended strand (participates in β ladder)trans-142.4156.1168.160-99.4000111.5R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 3.96Å; R201-W243 HydrophobicContact CG-CD2 4.14Å; R201-W243 HydrophobicContact CG-CE3 3.97Å; R201-W243 HydrophobicContact CG-CG 4.19Å; C202-W243 CarbonylContact O-C 3.54Å; C202-W243 WeakPolarHBondContact O-CA 3.18Å; C202-W243 VanDerWaalsContact O-CB 3.25Å; C202-W243 WeakPolarHBondContact O-CB 3.46Å; W203-W243 HydrophobicContact CD2-CB 3.98Å; W203-W243 HydrophobicContact CE3-CB 3.89Å; W203-W243 AromaticContact CE3-CD1 3.96Å; W203-W243 HydrophobicContact CE3-CG 4.26Å; W203-W243 HydrophobicContact CG-CB 4.43Å; W203-W243 AromaticContact CH2-CD1 3.63Å; W203-W243 HydrophobicContact CH2-CG 4.28Å; W203-W243 HydrophobicContact CZ3-CB 4.28Å; W203-W243 AromaticContact CZ3-CD1 3.45Å; W203-W243 VanDerWaalsContact CZ3-CD1 3.45Å; W203-W243 HydrophobicContact CZ3-CG 4.14Å; E228-W243 HydrophobicContact CB-CZ3 4.15Å; E228-W243 HydrophobicContact CG-CH2 3.84Å; E228-W243 HydrophobicContact CG-CZ3 3.83Å; E228-W243 WeakPolarHBondContact O-CZ3 3.44Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.33Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.32Å; V230-W243 HydrophobicContact CB-CZ2 4.41Å; V230-W243 HydrophobicContact CG1-CD2 3.96Å; V230-W243 HydrophobicContact CG1-CE3 4.35Å; V230-W243 HydrophobicContact CG1-CH2 3.64Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.19Å; V230-W243 HydrophobicContact CG2-CD2 3.81Å; V230-W243 HydrophobicContact CG2-CG 3.76Å; V230-W243 HydrophobicContact CG2-CZ2 4.46Å; V230-W243 WeakPolarHBondContact CG2-O 3.38Å; V230-W243 PolarHBondContact N-O 3.45Å; W243-A245 HydrophobicContact CE3-CB 3.89Å; W243-A245 HydrophobicContact CZ3-CB 3.6Å
244A98.6Very high97.5Very high0 Ų046.5 Ų46.50%029%0.29CS..EExtended strand (participates in β ladder)trans-128.4132.3173.300000108.5C202 L214 W216 T227 E228 L229C202-A244 PolarHBondContact N-O 3.26Å; C202-A244 PolarHBondContact O-N 2.7Å; L214-A244 HydrophobicContact CB-CB 4.02Å; L214-A244 HydrophobicContact CD2-CB 4.36Å; W216-A244 PolarHBondContact NE1-O 2.68Å; T227-A244 HydrophobicContact CG2-CB 3.88Å; E228-A244 CarbonylContact O-C 3.49Å; E228-A244 WeakPolarHBondContact O-CA 3.38Å; L229-A244 HydrophobicContact CD1-CB 3.62Å
245A98.6Very high97.5Very high3 Ų346.6 Ų46.63%0.02528%0.279CS..EExtended strand (participates in β ladder)trans-126.9146.4-179.600000112.2T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.89Å; L200-A245 CarbonylContact O-C 3.58Å; L200-A245 WeakPolarHBondContact O-CA 3.38Å; R201-A245 HydrophobicContact CB-CB 4.13Å; R201-A245 HydrophobicContact CG-CB 4.19Å; T227-A245 CarbonylContact C-O 3.53Å; T227-A245 WeakPolarHBondContact CA-O 3.45Å; E228-A245 HydrophobicContact CB-CB 4.48Å; E228-A245 PolarHBondContact N-O 2.79Å; E228-A245 PolarHBondContact O-N 3.31Å; W243-A245 HydrophobicContact CE3-CB 3.89Å; W243-A245 HydrophobicContact CZ3-CB 3.6Å
246V98.3Very high97.5Very high4 Ų444.5 Ų44.52%0.02426%0.26CS..EExtended strand (participates in β ladder)trans-132.1144.9173.3-72.90000109.1T199 L200 W216 Q223 T227 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.48Å; L200-V246 HydrophobicContact CB-CG2 4.21Å; L200-V246 PolarHBondContact N-O 3.49Å; L200-V246 PolarHBondContact O-N 3.13Å; W216-V246 HydrophobicContact CB-CG1 3.7Å; W216-V246 HydrophobicContact CB-CG2 4.37Å; W216-V246 HydrophobicContact CD2-CG1 4.45Å; W216-V246 HydrophobicContact CD2-CG2 3.67Å; W216-V246 HydrophobicContact CE3-CG2 4.09Å; W216-V246 HydrophobicContact CG-CB 4.4Å; W216-V246 HydrophobicContact CG-CG1 3.69Å; W216-V246 HydrophobicContact CG-CG2 3.8Å; W216-V246 HydrophobicContact CZ2-CG2 4.41Å; Q223-V246 HydrophobicContact CB-CG1 4.37Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.32Å; V246-V248 HydrophobicContact CB-CG1 4.4Å; V246-V248 HydrophobicContact CG2-CG1 3.78Å; V246-Y256 HydrophobicContact CG2-CD1 4Å; V246-Y256 HydrophobicContact CG2-CE1 4.37Å
247V98.1Very high97.7Very high80 Ų8041.1 Ų41.149%0.48522%0.224SC..EExtended strand (participates in β ladder)trans-87.3128.2168.4-178.30000107.7E197 A198E197-V247 HydrophobicContact CB-CG1 3.99Å; E197-V247 HydrophobicContact CG-CG1 4.23Å; A198-V247 WeakPolarHBondContact O-CA 3.39Å
248V97.5Very high97.8Very high0 Ų036 Ų360%020%0.196CC..EExtended strand (participates in β ladder)trans-126.4145.3-175.5-51.30000110.4E197 A198 L200 V246 E253 Y256E197-V248 VanDerWaalsContact CA-O 3.32Å; E197-V248 WeakPolarHBondContact CA-O 3.42Å; A198-V248 PolarHBondContact N-O 2.97Å; A198-V248 PolarHBondContact O-N 3.32Å; L200-V248 HydrophobicContact CD1-CG1 3.98Å; L200-V248 HydrophobicContact CD1-CG2 4.05Å; L200-V248 HydrophobicContact CG-CG1 4.13Å; L200-V248 HydrophobicContact CG-CG2 3.85Å; V246-V248 HydrophobicContact CB-CG1 4.4Å; V246-V248 HydrophobicContact CG2-CG1 3.78Å; V248-E253 HydrophobicContact CG2-CG 4.03Å; V248-Y256 HydrophobicContact CB-CD2 4.04Å; V248-Y256 HydrophobicContact CB-CE2 3.7Å; V248-Y256 HydrophobicContact CG1-CD1 3.75Å; V248-Y256 HydrophobicContact CG1-CD2 3.63Å; V248-Y256 HydrophobicContact CG1-CE1 3.64Å; V248-Y256 HydrophobicContact CG1-CE2 3.55Å; V248-Y256 HydrophobicContact CG1-CG 3.73Å
249P97.4Very high97.9Very high45 Ų4534.8 Ų34.829%0.29219%0.193SC..EExtended strand (participates in β ladder)trans-62.9140.6170.7-20.232.3000111.3H196 G251 E252H196-P249 CarbonylContact O-C 3.55Å; H196-P249 WeakPolarHBondContact O-CA 3.19Å; P249-G251 PolarHBondContact O-N 3.08Å; P249-E252 HydrophobicContact CB-CB 4.32Å; P249-E252 HydrophobicContact CB-CG 4.08Å; P249-E252 HydrophobicContact CG-CG 4.47Å; P249-E252 WeakPolarHBondContact O-CB 3.19Å; P249-E252 PolarHBondContact O-N 2.82Å
250S95.3Very high97.9Very high59 Ų5934 Ų3441%0.41319%0.188SC..THydrogen-bonded Turntrans-59.5129.5176-620000111.3H196 E197 E253H196-S250 VanDerWaalsContact C-OG 3.25Å; H196-S250 PolarHBondContact O-N 2.95Å; E197-S250 PolarHBondContact N-OG 2.99Å; S250-E253 WeakPolarHBondContact CA-OE1 3.44Å
251G95.2Very high97.9Very high68 Ų6837.7 Ų37.770%0.70121%0.206SC*.THydrogen-bonded Turntrans89.6-5.6-176.200000114.8P249 E253P249-G251 PolarHBondContact O-N 3.08Å; G251-E253 WeakPolarHBondContact CA-OE2 3.46Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 3.08Å; G251-E253 PolarHBondContact N-OE2 2.91Å
252E97.4Very high97.9Very high54 Ų5436.2 Ų36.225%0.25220%0.199SC..  trans-1014.8176-65.8-160.4-163.400113.8R218 P249 Q254 R255 Y256R218-E252 IonicContact CZ-OE2 3.51Å; R218-E252 IonicContact NE-OE2 3.68Å; R218-E252 IonicContact NH2-OE1 3.77Å; R218-E252 IonicContact NH2-OE2 2.68Å; R218-E252 PolarHBondContact NH2-OE2 3.34Å; P249-E252 HydrophobicContact CB-CB 4.32Å; P249-E252 HydrophobicContact CB-CG 4.08Å; P249-E252 HydrophobicContact CG-CG 4.47Å; P249-E252 WeakPolarHBondContact O-CB 3.19Å; P249-E252 PolarHBondContact O-N 2.82Å; E252-Q254 PolarHBondContact O-N 2.99Å; E252-Q254 VanDerWaalsContact O-N 3.08Å; E252-R255 VanDerWaalsContact CD-NH1 3.28Å; E252-R255 WeakPolarHBondContact O-CB 3.12Å; E252-R255 PolarHBondContact O-N 2.86Å; E252-R255 IonicContact OE1-NH1 3.67Å; E252-R255 IonicContact OE2-CZ 2.72Å; E252-R255 IonicContact OE2-NE 3.45Å; E252-R255 IonicContact OE2-NH1 3.68Å; E252-R255 PolarHBondContact OE2-NH1 2.85Å; E252-Y256 HydrophobicContact CB-CE2 4.41Å; E252-Y256 WeakPolarHBondContact O-CD2 3.25Å
253E97.3Very high97.9Very high23 Ų2341.5 Ų41.511%0.10722%0.224CC..G310 helixtrans-57.2-35.1-169.6-5881.3-17900112.6H190 L200 V248 S250 G251 R255 Y256 W273H190-E253 IonicContact NE2-OE1 3.95Å; L200-E253 HydrophobicContact CD1-CB 4.19Å; L200-E253 HydrophobicContact CD2-CG 4.36Å; V248-E253 HydrophobicContact CG2-CG 4.03Å; S250-E253 WeakPolarHBondContact CA-OE1 3.44Å; G251-E253 WeakPolarHBondContact CA-OE2 3.46Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 3.08Å; G251-E253 PolarHBondContact N-OE2 2.91Å; E253-R255 VanDerWaalsContact C-N 3.26Å; E253-R255 PolarHBondContact O-N 2.9Å; E253-Y256 PolarHBondContact O-N 2.6Å; E253-Y256 VanDerWaalsContact O-N 3.13Å; E253-W273 HydrophobicContact CB-CE3 3.64Å; E253-W273 HydrophobicContact CB-CZ3 4.14Å; E253-W273 HydrophobicContact CG-CE3 3.75Å; E253-W273 HydrophobicContact CG-CZ3 3.89Å
254Q97.4Very high97.8Very high110 Ų11041.4 Ų41.451%0.51423%0.23SC..G310 helixtrans-72.1-16-178.8-64.5-58.3-45.900114.3E252 Y256 R272 W273E252-Q254 PolarHBondContact O-N 2.99Å; E252-Q254 VanDerWaalsContact O-N 3.08Å; Q254-Y256 PolarHBondContact O-N 3.06Å; Q254-R272 PolarHBondContact O-NE 2.92Å; Q254-R272 VanDerWaalsContact O-NE 3.08Å; Q254-W273 PolarHBondContact NE2-O 3.37Å
255R97.9Very high97.8Very high97 Ų9742.6 Ų42.637%0.36624%0.236SC..G310 helixtrans-73.5-18172.3-63.9174.767.7179.45.8112R218 D219 E252 E253R218-R255 WeakPolarHBondContact CA-O 3.45Å; R218-R255 HydrophobicContact CG-CB 4.39Å; D219-R255 PolarHBondContact N-O 3.48Å; D219-R255 IonicContact OD1-NE 2.78Å; D219-R255 PolarHBondContact OD1-NE 3.01Å; D219-R255 IonicContact OD2-CZ 3.55Å; D219-R255 IonicContact OD2-NE 2.78Å; D219-R255 PolarHBondContact OD2-NE 3.04Å; D219-R255 IonicContact OD2-NH2 3.74Å; D219-R255 PolarHBondContact OD2-NH2 2.83Å; E252-R255 VanDerWaalsContact CD-NH1 3.28Å; E252-R255 WeakPolarHBondContact O-CB 3.12Å; E252-R255 PolarHBondContact O-N 2.86Å; E252-R255 IonicContact OE1-NH1 3.67Å; E252-R255 IonicContact OE2-CZ 2.72Å; E252-R255 IonicContact OE2-NE 3.45Å; E252-R255 IonicContact OE2-NH1 3.68Å; E252-R255 PolarHBondContact OE2-NH1 2.85Å; E253-R255 VanDerWaalsContact C-N 3.26Å; E253-R255 PolarHBondContact O-N 2.9Å
256Y98.4Very high97.8Very high7 Ų748.9 Ų48.93%0.02728%0.277CS..EExtended strand (participates in β ladder)trans-96.9131.2-177-69-99.5000111.5L200 Q217 R218 Q223 V246 V248 E252 E253 Q254L200-Y256 HydrophobicContact CD1-CG 4.5Å; Q217-Y256 CarbonylContact O-C 3.55Å; Q217-Y256 VanDerWaalsContact O-CA 3.23Å; Q217-Y256 WeakPolarHBondContact O-CA 3.5Å; R218-Y256 HydrophobicContact CB-CD1 4.08Å; R218-Y256 HydrophobicContact CB-CE1 3.85Å; R218-Y256 WeakPolarHBondContact CD-OH 3.36Å; R218-Y256 HydrophobicContact CG-CD1 4.46Å; R218-Y256 HydrophobicContact CG-CD2 4.48Å; R218-Y256 HydrophobicContact CG-CE1 4.05Å; R218-Y256 HydrophobicContact CG-CE2 4.05Å; Q223-Y256 HydrophobicContact CG-CE1 4.43Å; V246-Y256 HydrophobicContact CG2-CD1 4Å; V246-Y256 HydrophobicContact CG2-CE1 4.37Å; V248-Y256 HydrophobicContact CB-CD2 4.04Å; V248-Y256 HydrophobicContact CB-CE2 3.7Å; V248-Y256 HydrophobicContact CG1-CD1 3.75Å; V248-Y256 HydrophobicContact CG1-CD2 3.63Å; V248-Y256 HydrophobicContact CG1-CE1 3.64Å; V248-Y256 HydrophobicContact CG1-CE2 3.55Å; V248-Y256 HydrophobicContact CG1-CG 3.73Å; E252-Y256 HydrophobicContact CB-CE2 4.41Å; E252-Y256 WeakPolarHBondContact O-CD2 3.25Å; E253-Y256 PolarHBondContact O-N 2.6Å; E253-Y256 VanDerWaalsContact O-N 3.13Å; Q254-Y256 PolarHBondContact O-N 3.06Å
257T98.5Very high97.7Very high8 Ų856.4 Ų56.45%0.04931%0.309CS..EExtended strand (participates in β ladder)trans-125.2132.4174.544.60000111.1W216 Q217 H259 T270 L271 R272W216-T257 WeakPolarHBondContact CA-O 3.5Å; Q217-T257 PolarHBondContact N-O 2.89Å; Q217-T257 PolarHBondContact O-N 2.97Å; T257-H259 PolarHBondContact O-CD2 2.81Å; T257-H259 PolarHBondContact OG1-NE2 3.35Å; T257-T270 HydrophobicContact CG2-CG2 3.8Å; T257-L271 CarbonylContact C-O 3.57Å; T257-L271 VanDerWaalsContact CA-O 3.3Å; T257-L271 WeakPolarHBondContact CA-O 3.45Å; T257-R272 HydrophobicContact CG2-CG 3.61Å; T257-R272 VanDerWaalsContact CG2-NE 3.32Å; T257-R272 VanDerWaalsContact CG2-NH2 3.31Å
258C98.7Very high97.8Very high0 Ų056.5 Ų56.50%031%0.311CS..EExtended strand (participates in β ladder)trans-89.7131.3168.3176.20000109.8C202 T215 W216 T270 L271C202-C258 HydrophobicContact CB-CB 3.5Å; C202-C258 WeakPolarHBondContact CB-SG 3.47Å; C202-C258 WeakPolarHBondContact SG-CB 3.45Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 2.92Å; T215-C258 CarbonylContact O-C 3.49Å; T215-C258 WeakPolarHBondContact O-CA 3.47Å; W216-C258 HydrophobicContact CD2-CB 4.17Å; W216-C258 HydrophobicContact CE3-CB 4.12Å; W216-C258 HydrophobicContact CH2-CB 4Å; W216-C258 HydrophobicContact CZ2-CB 4.05Å; W216-C258 HydrophobicContact CZ3-CB 4.03Å; C258-T270 CarbonylContact O-C 3.59Å; C258-T270 WeakPolarHBondContact O-CA 3.44Å; C258-L271 HydrophobicContact CB-CB 4.37Å; C258-L271 PolarHBondContact N-O 2.92Å; C258-L271 PolarHBondContact O-N 2.81Å
259H98.6Very high97.8Very high35 Ų3559.4 Ų59.416%0.16233%0.327CS..EExtended strand (participates in β ladder)trans-112.2128.5176.7-65.1-109.4000109.9L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.37Å; T215-H259 PolarHBondContact N-O 2.62Å; T215-H259 PolarHBondContact O-N 2.9Å; T215-H259 WeakPolarHBondContact OG1-CB 3.33Å; Q217-H259 PolarHBondContact OE1-CE1 3.19Å; Q217-H259 PolarHBondContact OE1-NE2 3.01Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.16Å; T257-H259 PolarHBondContact O-CD2 2.81Å; T257-H259 PolarHBondContact OG1-NE2 3.35Å; H259-L269 VanDerWaalsContact CA-O 3.32Å; H259-L269 WeakPolarHBondContact CA-O 3.48Å; H259-T270 PolarHBondContact CE1-OG1 2.86Å; H259-T270 PolarHBondContact ND1-OG1 2.79Å
260V98.8Very high97.8Very high0 Ų061.2 Ų61.20%034%0.337CS..EExtended strand (participates in β ladder)trans-122.6124.1-177.3-173.60000109.9P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.94Å; T186-V260 HydrophobicContact CG2-CB 4.33Å; T186-V260 HydrophobicContact CG2-CG1 4.05Å; T186-V260 HydrophobicContact CG2-CG2 3.98Å; I212-V260 HydrophobicContact CD1-CG1 4.08Å; I212-V260 HydrophobicContact CG1-CG1 4.37Å; T213-V260 WeakPolarHBondContact O-CA 3.23Å; L214-V260 HydrophobicContact CD1-CG1 4.18Å; L214-V260 HydrophobicContact CG-CG2 4.37Å; V260-L265 HydrophobicContact CG1-CD1 4.25Å; V260-P268 WeakPolarHBondContact O-CA 3.11Å; V260-L269 HydrophobicContact CB-CB 4.37Å; V260-L269 PolarHBondContact N-O 3.08Å; V260-L269 PolarHBondContact O-N 2.9Å; V260-L271 HydrophobicContact CG2-CD1 3.79Å
261Q98.7Very high98Very high106 Ų10659.9 Ų59.950%0.49533%0.325SS..EExtended strand (participates in β ladder)trans-120.2132173.3-53.5-177.48.300109.9I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.28Å; I212-Q261 WeakPolarHBondContact CG1-O 3.34Å; T213-Q261 PolarHBondContact N-O 3.12Å; T213-Q261 PolarHBondContact O-N 3.2Å; Q261-P268 HydrophobicContact CG-CB 4.08Å; Q261-P268 HydrophobicContact CG-CG 4.13Å
262H98.7Very high98.1Very high15 Ų1563.1 Ų63.17%0.06932%0.316CS..  trans-157.1146.3179.9-177.8-97.4000108.7D182 P184 F207 Y208 P209 E211 I212 G264 L265D182-H262 PolarHBondContact O-CE1 2.9Å; P184-H262 HydrophobicContact CG-CB 4.04Å; F207-H262 AromaticContact CD2-CD2 3.85Å; F207-H262 AromaticContact CD2-NE2 3.79Å; Y208-H262 PolarHBondContact O-CE1 3.47Å; Y208-H262 PolarHBondContact O-NE2 3.33Å; P209-H262 PolarHBondContact O-NE2 3.16Å; E211-H262 PolarHBondContact O-CD2 3.25Å; E211-H262 VanDerWaalsContact O-CD2 3.31Å; I212-H262 HydrophobicContact CD1-CB 4.41Å; I212-H262 HydrophobicContact CG1-CB 4.15Å; H262-G264 PolarHBondContact ND1-N 3.03Å; H262-G264 PolarHBondContact O-N 3.21Å; H262-L265 HydrophobicContact CB-CD1 3.97Å; H262-L265 HydrophobicContact CB-CG 4.15Å; H262-L265 WeakPolarHBondContact O-CB 3.32Å; H262-L265 PolarHBondContact O-N 2.97Å
263E97.6Very high97.9Very high134 Ų13467.5 Ų67.563%0.62633%0.33SS*.THydrogen-bonded Turntrans-63.2-28.9-176.560.9159.5-14700114A181 P209 L265A181-E263 HydrophobicContact CB-CG 3.95Å; A181-E263 WeakPolarHBondContact CB-OE1 3.32Å; P209-E263 WeakPolarHBondContact CD-OE1 3.36Å; P209-E263 HydrophobicContact CG-CG 3.84Å; P209-E263 WeakPolarHBondContact CG-OE1 3.48Å; E263-L265 PolarHBondContact O-N 3.16Å
264G97.5Very high97.9Very high21 Ų2169.8 Ų69.822%0.21634%0.342CS..THydrogen-bonded Turntrans-71.7-8.6174.600000114.4H262H262-G264 PolarHBondContact ND1-N 3.03Å; H262-G264 PolarHBondContact O-N 3.21Å
265L98.4Very high97.9Very high26 Ų2667.6 Ų67.614%0.13633%0.332CS..  trans-94.4127.9177-66.3170.7000110.3P183 P184 V260 H262 E263 K267 L269P183-L265 HydrophobicContact CB-CD2 3.9Å; P183-L265 HydrophobicContact CB-CG 4.42Å; P184-L265 HydrophobicContact CG-CD1 3.9Å; P184-L265 HydrophobicContact CG-CD2 4.47Å; P184-L265 HydrophobicContact CG-CG 4.25Å; V260-L265 HydrophobicContact CG1-CD1 4.25Å; H262-L265 HydrophobicContact CB-CD1 3.97Å; H262-L265 HydrophobicContact CB-CG 4.15Å; H262-L265 WeakPolarHBondContact O-CB 3.32Å; H262-L265 PolarHBondContact O-N 2.97Å; E263-L265 PolarHBondContact O-N 3.16Å; L265-K267 WeakPolarHBondContact CB-O 3.44Å; L265-K267 PolarHBondContact O-N 3.29Å; L265-L269 HydrophobicContact CD1-CD1 4.05Å; L265-L269 HydrophobicContact CD1-CG 3.94Å; L265-L269 HydrophobicContact CD2-CD1 3.78Å; L265-L269 HydrophobicContact CD2-CG 4.04Å
266P97.6Very high97.9Very high134 Ų13466 Ų6687%0.8733%0.331SS*.SBendtrans-67.1-24.7177.427.4-34.6000112.7
267K97.6Very high97.9Very high162 Ų16269.5 Ų69.570%0.70435%0.348SS*.SBendtrans-147.2150.5173.5-63.7-176.2-177.81780108.9L265L265-K267 WeakPolarHBondContact CB-O 3.44Å; L265-K267 PolarHBondContact O-N 3.29Å
268P98.2Very high97.9Very high83 Ų8373.3 Ų73.354%0.53937%0.367SS..  trans-52.9144.5171.4-2736000112.2V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.11Å; Q261-P268 HydrophobicContact CG-CB 4.08Å; Q261-P268 HydrophobicContact CG-CG 4.13Å
269L98.5Very high97.8Very high61 Ų6178.2 Ų78.232%0.31939%0.392SS..EExtended strand (participates in β ladder)trans-95.8144.1174.8-60.6178.4000110.2T186 H259 V260 L265 L271T186-L269 HydrophobicContact CG2-CD1 4.3Å; H259-L269 VanDerWaalsContact CA-O 3.32Å; H259-L269 WeakPolarHBondContact CA-O 3.48Å; V260-L269 HydrophobicContact CB-CB 4.37Å; V260-L269 PolarHBondContact N-O 3.08Å; V260-L269 PolarHBondContact O-N 2.9Å; L265-L269 HydrophobicContact CD1-CD1 4.05Å; L265-L269 HydrophobicContact CD1-CG 3.94Å; L265-L269 HydrophobicContact CD2-CD1 3.78Å; L265-L269 HydrophobicContact CD2-CG 4.04Å; L269-L271 HydrophobicContact CB-CD1 4.05Å
270T98.5Very high97.8Very high82 Ų8281.3 Ų81.350%0.50341%0.408SS..EExtended strand (participates in β ladder)trans-121.6120.5170.1-59.80000108.3T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.8Å; C258-T270 CarbonylContact O-C 3.59Å; C258-T270 WeakPolarHBondContact O-CA 3.44Å; H259-T270 PolarHBondContact CE1-OG1 2.86Å; H259-T270 PolarHBondContact ND1-OG1 2.79Å
271L98.1Very high97.7Very high31 Ų3187.5 Ų87.516%0.16244%0.439CS..EExtended strand (participates in β ladder)trans-117.3147.5-177.8-58.4101.9000110.7T186 V188 T257 C258 V260 L269T186-L271 WeakPolarHBondContact OG1-CD2 3.13Å; V188-L271 HydrophobicContact CG2-CB 3.88Å; T257-L271 CarbonylContact C-O 3.57Å; T257-L271 VanDerWaalsContact CA-O 3.3Å; T257-L271 WeakPolarHBondContact CA-O 3.45Å; C258-L271 HydrophobicContact CB-CB 4.37Å; C258-L271 PolarHBondContact N-O 2.92Å; C258-L271 PolarHBondContact O-N 2.81Å; V260-L271 HydrophobicContact CG2-CD1 3.79Å; L269-L271 HydrophobicContact CB-CD1 4.05Å
272R96.9Very high97.6Very high136 Ų13686 Ų8651%0.51344%0.435SS..  trans-124.1165.3165.5-67.3-170.617187.42.5108.5Q254 T257Q254-R272 PolarHBondContact O-NE 2.92Å; Q254-R272 VanDerWaalsContact O-NE 3.08Å; T257-R272 HydrophobicContact CG2-CG 3.61Å; T257-R272 VanDerWaalsContact CG2-NE 3.32Å; T257-R272 VanDerWaalsContact CG2-NH2 3.31Å
273W93.5Very high97.5Very high147 Ų14792.5 Ų92.556%0.55747%0.468SS*.  trans-71.60166.2174.956000110.9V188 H190 L200 E253 Q254V188-W273 HydrophobicContact CG1-CB 3.99Å; H190-W273 HydrophobicContact CB-CD2 3.89Å; H190-W273 VanDerWaalsContact CB-CE2 3.47Å; H190-W273 HydrophobicContact CB-CG 4Å; H190-W273 HydrophobicContact CB-CZ2 3.99Å; H190-W273 VanDerWaalsContact CB-NE1 3.34Å; H190-W273 AromaticContact CG-CE2 3.75Å; H190-W273 AromaticContact CG-CZ2 3.81Å; H190-W273 AromaticContact ND1-CZ2 3.87Å; L200-W273 HydrophobicContact CD2-CB 3.91Å; L200-W273 HydrophobicContact CD2-CG 4.17Å; E253-W273 HydrophobicContact CB-CE3 3.64Å; E253-W273 HydrophobicContact CB-CZ3 4.14Å; E253-W273 HydrophobicContact CG-CE3 3.75Å; E253-W273 HydrophobicContact CG-CZ3 3.89Å; Q254-W273 PolarHBondContact NE2-O 3.37Å

Retrieved 273 of 273 residues in 161 ms (Link to these results)

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