A0A090K2C7_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A090K2C7, 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
1S94.6Very high98.3Very high91 Ų9139.2 Ų39.264%0.63621%0.209SC*.  0154.30-58.20000107.9L102S1-L102 VanDerWaalsContact CA-O 3.28Å; S1-L102 WeakPolarHBondContact CA-O 3.28Å; S1-L102 VanDerWaalsContact CB-O 3.27Å; S1-L102 WeakPolarHBondContact CB-O 3.47Å
2H98.3Very high98.3Very high45 Ų4537.2 Ų37.221%0.20820%0.2CC..EExtended strand (participates in β ladder)trans-140.3157.9-178.5-67.3-75.2000110.7D28 D101 L102 L167 L171H2-D28 VanDerWaalsContact CA-OD1 3.24Å; H2-D28 WeakPolarHBondContact CA-OD1 3.45Å; H2-D28 IonicContact CE1-OD2 3.54Å; H2-D28 IonicContact CG-OD2 2.78Å; H2-D28 IonicContact ND1-OD1 3.6Å; H2-D28 IonicContact ND1-OD2 3.44Å; H2-D28 PolarHBondContact ND1-OD2 3.09Å; H2-D101 CarbonylContact O-C 3.5Å; H2-D101 WeakPolarHBondContact O-CA 3.36Å; H2-L102 PolarHBondContact N-O 3.41Å; H2-L102 VanDerWaalsContact N-O 3.12Å; H2-L102 PolarHBondContact O-N 2.87Å; H2-L167 HydrophobicContact CB-CD1 4.44Å; H2-L171 HydrophobicContact CB-CD1 3.74Å; H2-L171 HydrophobicContact CB-CD2 3.98Å; H2-L171 HydrophobicContact CB-CG 4.43Å; H2-L171 VanDerWaalsContact CG-CD2 3.48Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.3Å
3S98.6Very high98.2Very high25 Ų2539.5 Ų39.518%0.17520%0.204CC..EExtended strand (participates in β ladder)trans-133.6149178.865.10000111.4V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.52Å; S3-V27 VanDerWaalsContact O-CA 3.29Å; S3-V27 WeakPolarHBondContact O-CA 3.45Å; S3-D28 PolarHBondContact N-OD1 3.25Å; S3-D28 PolarHBondContact O-N 3.48Å; S3-D28 PolarHBondContact OG-OD1 3.04Å; S3-C100 WeakPolarHBondContact CA-O 3.09Å; S3-D101 VanDerWaalsContact CB-OD1 3.22Å; S3-D101 WeakPolarHBondContact CB-OD1 3.25Å
4M98.8Very high97.9Very high2 Ų240.7 Ų40.71%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-123.6123.5166.7-178.3172.862.800108.2Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CG-CE2 4.43Å; M4-Y6 HydrophobicContact SD-CE2 4.25Å; M4-Y26 WeakPolarHBondContact CA-O 3.48Å; M4-V27 HydrophobicContact CG-CG2 4.39Å; M4-F32 HydrophobicContact CG-CE1 4.44Å; M4-F32 HydrophobicContact SD-CZ 4.29Å; M4-G99 CarbonylContact O-C 3.59Å; M4-G99 WeakPolarHBondContact O-CA 3.22Å; M4-C100 PolarHBondContact N-O 3.02Å; M4-C100 PolarHBondContact O-N 3.3Å; M4-C163 HydrophobicContact CE-CB 4.15Å; M4-C163 WeakPolarHBondContact CE-O 3.42Å; M4-C163 WeakPolarHBondContact CE-SG 3.48Å; M4-W166 HydrophobicContact CE-CB 4.16Å; 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 4.49Å; M4-Y170 HydrophobicContact SD-CD2 3.77Å; M4-Y170 HydrophobicContact SD-CE2 3.56Å; M4-Y170 VanDerWaalsContact SD-CE2 3.56Å
5R98.8Very high97.6Very high51 Ų5144 Ų4419%0.19226%0.263CS..EExtended strand (participates in β ladder)trans-129.9139.6-177.7-56.8-61.1-177.180.14.6111F7 G25 Y26 M97 Y98 D101 H112R5-F7 HydrophobicContact CB-CD2 4.34Å; 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 3.56Å; R5-G25 WeakPolarHBondContact O-CA 3.49Å; R5-Y26 PolarHBondContact N-O 2.99Å; R5-Y26 PolarHBondContact O-N 3.13Å; R5-M97 HydrophobicContact CG-SD 4.47Å; R5-M97 PolarHBondContact NH1-SD 2.83Å; R5-Y98 WeakPolarHBondContact CA-O 3.45Å; R5-D101 IonicContact CZ-OD1 3.81Å; R5-D101 IonicContact NE-OD1 2.74Å; R5-D101 PolarHBondContact NE-OD1 3.42Å; R5-D101 VanDerWaalsContact NH2-CG 3.35Å; R5-D101 IonicContact NH2-OD1 3.04Å; R5-D101 PolarHBondContact NH2-OD1 3.4Å; R5-D101 IonicContact NH2-OD2 2.7Å; R5-D101 PolarHBondContact NH2-OD2 2.66Å; R5-D101 VanDerWaalsContact NH2-OD2 3.12Å; R5-H112 PolarHBondContact NH2-NE2 3.42Å; R5-H112 VanDerWaalsContact NH2-NE2 3.15Å
6Y98.9Very high97.4Very high11 Ų1154.3 Ų54.34%0.04330%0.296CS..EExtended strand (participates in β ladder)trans-112.1133.9166.9-77-87.5000109.3M4 Y8 V24 F32 V33 K44 F66 M97 Y98M4-Y6 HydrophobicContact CG-CE2 4.43Å; M4-Y6 HydrophobicContact SD-CE2 4.25Å; Y6-Y8 HydrophobicContact CD1-CE1 4.31Å; Y6-V24 WeakPolarHBondContact CA-O 3.31Å; Y6-F32 HydrophobicContact CE1-CZ 4.28Å; Y6-F32 HydrophobicContact CE2-CZ 4.36Å; Y6-F32 AromaticContact CZ-CZ 3.78Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.44Å; Y6-V33 HydrophobicContact CE1-CG2 3.92Å; Y6-K44 PolarHBondContact OH-NZ 2.93Å; Y6-F66 HydrophobicContact CD1-CZ 4.34Å; Y6-F66 HydrophobicContact CE1-CZ 4.15Å; Y6-M97 WeakPolarHBondContact O-CA 3.28Å; Y6-Y98 VanDerWaalsContact CB-CE1 3.43Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.48Å; Y6-Y98 AromaticContact CD2-CE2 3.98Å; Y6-Y98 HydrophobicContact CD2-CE2 3.98Å; Y6-Y98 AromaticContact CD2-CZ 3.87Å; Y6-Y98 HydrophobicContact CG-CE1 4.27Å; Y6-Y98 HydrophobicContact CG-CE2 4.37Å; Y6-Y98 AromaticContact CG-CZ 3.82Å; Y6-Y98 PolarHBondContact N-O 3.22Å; Y6-Y98 PolarHBondContact O-N 3.12Å; Y6-Y98 VanDerWaalsContact O-N 3.14Å
7F98.9Very high97.2Very high80 Ų8054.5 Ų54.535%0.35131%0.314SS..EExtended strand (participates in β ladder)trans-119.1120.7177.8-57.3-94.2000109R5 A23 V24 Y26 R96 M97R5-F7 HydrophobicContact CB-CD2 4.34Å; 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 3.38Å; F7-V24 HydrophobicContact CB-CG2 3.85Å; F7-V24 HydrophobicContact CD2-CG2 4.28Å; F7-V24 PolarHBondContact N-O 2.83Å; F7-V24 PolarHBondContact O-N 2.62Å; F7-Y26 HydrophobicContact CD2-CD2 4.02Å; F7-Y26 HydrophobicContact CE2-CD2 4.02Å; F7-Y26 HydrophobicContact CE2-CG 4.48Å; F7-R96 WeakPolarHBondContact CA-O 3.47Å; F7-M97 HydrophobicContact CD1-CB 4.01Å; F7-M97 HydrophobicContact CD1-CG 3.64Å; F7-M97 HydrophobicContact CE1-CB 4.14Å; F7-M97 HydrophobicContact CE1-CG 3.34Å; F7-M97 HydrophobicContact CZ-CG 4.02Å
8Y98.8Very high97.1Very high5 Ų556.1 Ų56.12%0.0232%0.318CS..EExtended strand (participates in β ladder)trans-111138.9177.4-61.6-9.4000109.7Y6 F21 I22 A23 F66 Y73 Q95 R96 Y98Y6-Y8 HydrophobicContact CD1-CE1 4.31Å; Y8-F21 HydrophobicContact CD1-CZ 4.17Å; Y8-F21 HydrophobicContact CD2-CE2 4.2Å; Y8-F21 AromaticContact CD2-CZ 3.92Å; Y8-F21 HydrophobicContact CD2-CZ 3.92Å; Y8-F21 HydrophobicContact CE2-CZ 4.36Å; Y8-F21 HydrophobicContact CG-CE2 4.09Å; Y8-F21 AromaticContact CG-CZ 3.8Å; Y8-F21 HydrophobicContact CG-CZ 3.8Å; Y8-I22 WeakPolarHBondContact CA-O 3.34Å; Y8-A23 HydrophobicContact CD1-CB 3.41Å; Y8-A23 VanDerWaalsContact CD1-CB 3.41Å; Y8-A23 HydrophobicContact CE1-CB 3.6Å; Y8-A23 HydrophobicContact CG-CB 4.39Å; Y8-F66 HydrophobicContact CE1-CD1 4.32Å; Y8-F66 AromaticContact CE1-CE1 3.62Å; Y8-F66 HydrophobicContact CE1-CE1 3.62Å; Y8-F66 AromaticContact CZ-CE1 3.79Å; Y8-F66 WeakPolarHBondContact OH-CE1 3.28Å; Y8-Y73 AromaticContact CD2-CE2 3.72Å; Y8-Y73 HydrophobicContact CD2-CE2 3.72Å; Y8-Y73 AromaticContact CD2-CZ 3.94Å; Y8-Y73 HydrophobicContact CE2-CE2 4.38Å; Y8-Q95 CarbonylContact O-C 3.55Å; Y8-Q95 VanDerWaalsContact O-CA 3.25Å; Y8-Q95 WeakPolarHBondContact O-CA 3.26Å; Y8-R96 PolarHBondContact N-O 2.89Å; Y8-R96 PolarHBondContact O-N 3.31Å; Y8-Y98 HydrophobicContact CD2-CE1 4.34Å; Y8-Y98 AromaticContact CE1-CE1 3.92Å; Y8-Y98 HydrophobicContact CE1-CE1 3.92Å; Y8-Y98 AromaticContact CE2-CE1 3.69Å; Y8-Y98 HydrophobicContact CE2-CE1 3.69Å; Y8-Y98 AromaticContact CZ-CE1 3.45Å; Y8-Y98 VanDerWaalsContact CZ-CE1 3.45Å; Y8-Y98 AromaticContact CZ-CZ 3.92Å; Y8-Y98 PolarHBondContact OH-OH 3.43Å
9T98.9Very high97.2Very high48 Ų4854.1 Ų54.129%0.29431%0.307SS..EExtended strand (participates in β ladder)trans-132.5120.5173.1-55.80000108.8F21 I22 I93 Q95T9-F21 WeakPolarHBondContact O-CA 3.25Å; T9-I22 PolarHBondContact N-O 3.06Å; T9-I22 PolarHBondContact O-N 3.18Å; T9-I93 HydrophobicContact CG2-CG2 3.91Å; T9-Q95 HydrophobicContact CG2-CG 4.35Å
10A98.7Very high97.2Very high2 Ų255 Ų552%0.01731%0.306CS..EExtended strand (participates in β ladder)trans-114.7120.4172.400000109.3R20 F21 Y73 L77 I93 I94A10-R20 CarbonylContact C-O 3.53Å; A10-R20 WeakPolarHBondContact CA-O 3.3Å; A10-F21 HydrophobicContact CB-CD2 4.17Å; A10-Y73 HydrophobicContact CB-CD1 4.03Å; A10-Y73 HydrophobicContact CB-CG 4.01Å; A10-L77 HydrophobicContact CB-CD1 4.17Å; A10-I93 CarbonylContact O-C 3.49Å; A10-I93 WeakPolarHBondContact O-CA 2.88Å; A10-I94 PolarHBondContact N-O 3.07Å; A10-I94 PolarHBondContact O-N 2.95Å
11M98.5Very high97.3Very high71 Ų7152.4 Ų52.435%0.3529%0.291SS..EExtended strand (participates in β ladder)trans-122.1115.8-174.9179.6172.166.100110P19 R20 H92 I93M11-P19 CarbonylContact O-C 3.53Å; M11-P19 WeakPolarHBondContact O-CA 3.41Å; M11-P19 WeakPolarHBondContact O-CB 3.37Å; M11-R20 PolarHBondContact N-O 2.84Å; M11-R20 PolarHBondContact O-N 2.84Å; M11-H92 WeakPolarHBondContact CA-O 3.28Å; M11-I93 HydrophobicContact CB-CG1 4.29Å; M11-I93 HydrophobicContact CG-CD1 4.46Å; M11-I93 HydrophobicContact CG-CG1 3.99Å; M11-I93 HydrophobicContact SD-CD1 4.34Å
12S98.1Very high97.5Very high15 Ų1550.3 Ų50.311%0.10527%0.273CS..  trans-69.1153.3171.372.80000110.2S91 H92S12-S91 PolarHBondContact O-OG 3.4Å; S12-H92 PolarHBondContact N-O 3.21Å; S12-H92 PolarHBondContact OG-N 2.93Å; S12-H92 PolarHBondContact OG-O 3.12Å
13R96.6Very high97.5Very high67 Ų6748.2 Ų48.225%0.25326%0.263SS..  trans-148.870.6179.249.9173.2175.9-159.6-8.8110.5G15 R16 E18 D38R13-G15 PolarHBondContact O-N 3.05Å; R13-R16 HydrophobicContact CB-CB 4.2Å; R13-R16 WeakPolarHBondContact CD-O 3.45Å; R13-R16 HydrophobicContact CG-CB 4.27Å; R13-R16 PolarHBondContact NE-O 3.18Å; R13-R16 PolarHBondContact O-N 3.27Å; R13-E18 PolarHBondContact NE-O 3.24Å; R13-E18 PolarHBondContact NH2-O 3.05Å; R13-E18 VanDerWaalsContact NH2-O 3.07Å; R13-D38 IonicContact CZ-OD1 2.8Å; R13-D38 IonicContact CZ-OD2 2.62Å; R13-D38 IonicContact NH1-OD1 3.42Å; R13-D38 IonicContact NH1-OD2 3.23Å; R13-D38 PolarHBondContact NH1-OD2 3.29Å; R13-D38 IonicContact NH2-OD1 3.6Å; R13-D38 PolarHBondContact NH2-OD1 3.32Å; R13-D38 IonicContact NH2-OD2 2.9Å; R13-D38 PolarHBondContact NH2-OD2 3.42Å
14P93.9Very high97.5Very high57 Ų5748.4 Ų48.437%0.3726%0.263SS..THydrogen-bonded Turntrans-49.9133.6-175.8-26.935.5000112.2R16 E88 G90P14-R16 VanDerWaalsContact C-N 3.25Å; P14-R16 PolarHBondContact O-N 2.9Å; P14-E88 WeakPolarHBondContact CB-O 3.17Å; P14-E88 WeakPolarHBondContact CG-O 3.43Å; P14-G90 WeakPolarHBondContact CG-O 3.5Å
15G93.8Very high97.5Very high90 Ų9048.3 Ų48.393%0.92826%0.262SS*.THydrogen-bonded Turntrans76.2-0.4-176.500000115.8R13R13-G15 PolarHBondContact O-N 3.05Å
16R94.8Very high97.5Very high208 Ų20849.2 Ų49.279%0.78527%0.266SS*.SBendtrans-124.527.4178.8-58.9-174.2-178.1175.61.3113.2R13 P14R13-R16 HydrophobicContact CB-CB 4.2Å; R13-R16 WeakPolarHBondContact CD-O 3.45Å; R13-R16 HydrophobicContact CG-CB 4.27Å; R13-R16 PolarHBondContact NE-O 3.18Å; R13-R16 PolarHBondContact O-N 3.27Å; P14-R16 VanDerWaalsContact C-N 3.25Å; P14-R16 PolarHBondContact O-N 2.9Å
17G93.4Very high97.5Very high58 Ų5848.7 Ų48.760%0.59826%0.264SS*.SBendtrans92.8-165.9-178.900000113.5
18E96.3Very high97.5Very high83 Ų8346.3 Ų46.339%0.38826%0.255SS..SBendtrans-72.2158.8-177.4-70.3-69.9172.900112.7R13 R20 R74 R78R13-E18 PolarHBondContact NE-O 3.24Å; R13-E18 PolarHBondContact NH2-O 3.05Å; R13-E18 VanDerWaalsContact NH2-O 3.07Å; E18-R20 PolarHBondContact O-N 2.95Å; E18-R74 VanDerWaalsContact CD-CZ 3.45Å; E18-R74 VanDerWaalsContact CG-CZ 3.45Å; E18-R74 IonicContact OE1-NH1 3.11Å; E18-R74 WeakPolarHBondContact OE2-CD 3.36Å; E18-R74 IonicContact OE2-CZ 3.74Å; E18-R74 VanDerWaalsContact OE2-CZ 3.3Å; E18-R74 IonicContact OE2-NE 2.66Å; E18-R74 PolarHBondContact OE2-NE 3.06Å; E18-R74 IonicContact OE2-NH1 2.77Å; E18-R74 IonicContact OE2-NH2 3.84Å; E18-R78 IonicContact OE1-NH2 3.98Å; E18-R78 IonicContact OE2-NH2 2.66Å
19P97.4Very high97.5Very high18 Ų1849 Ų4912%0.11727%0.27CS..PPolyproline II helixtrans-53.1135.1174.8-26.334.8000112.5M11 R74 L77M11-P19 CarbonylContact O-C 3.53Å; M11-P19 WeakPolarHBondContact O-CA 3.41Å; M11-P19 WeakPolarHBondContact O-CB 3.37Å; P19-R74 HydrophobicContact CG-CG 4.17Å; P19-L77 HydrophobicContact CB-CD1 3.56Å; P19-L77 HydrophobicContact CG-CD1 3.74Å
20R98.4Very high97.5Very high72 Ų7247.5 Ų47.527%0.27226%0.261SS..EExtended strand (participates in β ladder)trans-81133.4174.3-175.9-179.2-174179-1.3109.2A10 M11 E18 I22 D36 D38A10-R20 CarbonylContact C-O 3.53Å; A10-R20 WeakPolarHBondContact CA-O 3.3Å; M11-R20 PolarHBondContact N-O 2.84Å; M11-R20 PolarHBondContact O-N 2.84Å; E18-R20 PolarHBondContact O-N 2.95Å; R20-I22 HydrophobicContact CG-CG1 4.33Å; R20-D36 IonicContact CZ-OD1 3.72Å; R20-D36 IonicContact CZ-OD2 3.81Å; R20-D36 IonicContact NE-OD1 2.76Å; R20-D36 PolarHBondContact NE-OD1 3.29Å; R20-D36 IonicContact NE-OD2 3.43Å; R20-D36 IonicContact NH2-OD1 3.65Å; R20-D36 PolarHBondContact NH2-OD1 3.49Å; R20-D36 IonicContact NH2-OD2 3.12Å; R20-D36 PolarHBondContact NH2-OD2 3Å; R20-D38 WeakPolarHBondContact CD-OD2 3.48Å; R20-D38 HydrophobicContact CG-CB 4.37Å; R20-D38 IonicContact NE-OD2 3.23Å
21F98.8Very high97.5Very high2 Ų250 Ų501%0.00927%0.272CS..EExtended strand (participates in β ladder)trans-115.4124.2175-180-98.3000110.2Y8 T9 A10 A23 F35 S37 F66 N69 T70 Y73Y8-F21 HydrophobicContact CD1-CZ 4.17Å; Y8-F21 HydrophobicContact CD2-CE2 4.2Å; Y8-F21 AromaticContact CD2-CZ 3.92Å; Y8-F21 HydrophobicContact CD2-CZ 3.92Å; Y8-F21 HydrophobicContact CE2-CZ 4.36Å; Y8-F21 HydrophobicContact CG-CE2 4.09Å; Y8-F21 AromaticContact CG-CZ 3.8Å; Y8-F21 HydrophobicContact CG-CZ 3.8Å; T9-F21 WeakPolarHBondContact O-CA 3.25Å; A10-F21 HydrophobicContact CB-CD2 4.17Å; F21-A23 HydrophobicContact CE1-CB 3.86Å; F21-A23 HydrophobicContact CZ-CB 4.1Å; F21-F35 AromaticContact CD1-CD1 3.82Å; F21-F35 HydrophobicContact CD1-CD1 3.82Å; F21-F35 AromaticContact CD1-CE1 3.86Å; F21-F35 HydrophobicContact CD1-CE1 3.86Å; F21-F35 HydrophobicContact CE1-CD1 4.13Å; F21-F35 HydrophobicContact CE1-CE1 4.44Å; F21-S37 PolarHBondContact N-OG 3.01Å; F21-S37 PolarHBondContact O-N 2.93Å; F21-S37 PolarHBondContact O-OG 3.04Å; F21-F66 HydrophobicContact CE1-CB 4.42Å; F21-F66 HydrophobicContact CE1-CD1 4.28Å; F21-N69 HydrophobicContact CE1-CB 4.29Å; F21-N69 HydrophobicContact CE2-CB 4.42Å; F21-N69 HydrophobicContact CZ-CB 3.88Å; F21-T70 HydrophobicContact CB-CG2 3.91Å; F21-T70 VanDerWaalsContact CD1-OG1 3.28Å; F21-T70 WeakPolarHBondContact CD1-OG1 3.47Å; F21-Y73 HydrophobicContact CD2-CD2 4.01Å; F21-Y73 HydrophobicContact CD2-CG 4.23Å; F21-Y73 AromaticContact CE2-CD2 3.44Å; F21-Y73 HydrophobicContact CE2-CD2 3.44Å; F21-Y73 VanDerWaalsContact CE2-CD2 3.44Å; F21-Y73 AromaticContact CE2-CE2 3.85Å; F21-Y73 HydrophobicContact CE2-CE2 3.85Å; F21-Y73 HydrophobicContact CE2-CG 4.03Å; F21-Y73 HydrophobicContact CZ-CD2 4.31Å; F21-Y73 HydrophobicContact CZ-CE2 4.47Å
22I98.8Very high97.5Very high47 Ų4746.7 Ų46.724%0.24126%0.256CS..EExtended strand (participates in β ladder)trans-120.3135.3174.2-64.3160.3000107.9Y8 T9 R20 V24 F35Y8-I22 WeakPolarHBondContact CA-O 3.34Å; T9-I22 PolarHBondContact N-O 3.06Å; T9-I22 PolarHBondContact O-N 3.18Å; R20-I22 HydrophobicContact CG-CG1 4.33Å; I22-V24 HydrophobicContact CG2-CG1 4.36Å; I22-F35 WeakPolarHBondContact CA-O 3.37Å
23A98.8Very high97.5Very high0 Ų046 Ų460%025%0.251CS..EExtended strand (participates in β ladder)trans-128.3136.317000000110F7 Y8 F21 R34 F35 F66F7-A23 WeakPolarHBondContact O-CA 3.38Å; Y8-A23 HydrophobicContact CD1-CB 3.41Å; Y8-A23 VanDerWaalsContact CD1-CB 3.41Å; Y8-A23 HydrophobicContact CE1-CB 3.6Å; Y8-A23 HydrophobicContact CG-CB 4.39Å; F21-A23 HydrophobicContact CE1-CB 3.86Å; F21-A23 HydrophobicContact CZ-CB 4.1Å; A23-R34 CarbonylContact O-C 3.55Å; A23-R34 WeakPolarHBondContact O-CA 3.22Å; A23-F35 HydrophobicContact CB-CB 4.3Å; A23-F35 PolarHBondContact N-O 2.64Å; A23-F35 PolarHBondContact O-N 3.4Å; A23-F66 HydrophobicContact CB-CD1 3.87Å; A23-F66 HydrophobicContact CB-CE1 3.6Å; A23-F66 HydrophobicContact CB-CG 4.49Å; A23-F66 HydrophobicContact CB-CZ 3.96Å
24V98.9Very high97.6Very high29 Ų2946.8 Ų46.818%0.17625%0.254CS..EExtended strand (participates in β ladder)trans-130.6145.4173-63.40000109.7Y6 F7 I22 Y26 Q31 V33 R34Y6-V24 WeakPolarHBondContact CA-O 3.31Å; F7-V24 HydrophobicContact CB-CG2 3.85Å; F7-V24 HydrophobicContact CD2-CG2 4.28Å; F7-V24 PolarHBondContact N-O 2.83Å; F7-V24 PolarHBondContact O-N 2.62Å; I22-V24 HydrophobicContact CG2-CG1 4.36Å; V24-Y26 HydrophobicContact CB-CE2 4.1Å; V24-Y26 HydrophobicContact CG2-CD2 4.28Å; V24-Y26 HydrophobicContact CG2-CE2 3.79Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.31Å; V24-V33 WeakPolarHBondContact CA-O 3.27Å; V24-R34 HydrophobicContact CG1-CB 4.47Å; V24-R34 HydrophobicContact CG1-CG 4.27Å
25G98.8Very high97.8Very high0 Ų044.2 Ų44.20%024%0.237CC..EExtended strand (participates in β ladder)trans-120.2138.3176.700000110.5R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.56Å; R5-G25 WeakPolarHBondContact O-CA 3.49Å; G25-Q31 WeakPolarHBondContact O-CA 3.44Å; G25-F32 WeakPolarHBondContact O-CD1 3.5Å; G25-F32 PolarHBondContact O-N 2.91Å; G25-V33 PolarHBondContact N-O 2.9Å; G25-V33 VanDerWaalsContact N-O 3.12Å
26Y98.9Very high98.1Very high70 Ų7040.6 Ų40.628%0.27520%0.196SC..EExtended strand (participates in β ladder)trans-125.6142.6179.3-78.3-101.7000110.9M4 R5 F7 V24 T30 Q31 F32M4-Y26 WeakPolarHBondContact CA-O 3.48Å; R5-Y26 PolarHBondContact N-O 2.99Å; R5-Y26 PolarHBondContact O-N 3.13Å; F7-Y26 HydrophobicContact CD2-CD2 4.02Å; F7-Y26 HydrophobicContact CE2-CD2 4.02Å; F7-Y26 HydrophobicContact CE2-CG 4.48Å; V24-Y26 HydrophobicContact CB-CE2 4.1Å; V24-Y26 HydrophobicContact CG2-CD2 4.28Å; V24-Y26 HydrophobicContact CG2-CE2 3.79Å; Y26-T30 WeakPolarHBondContact CA-O 3.4Å; Y26-Q31 HydrophobicContact CD1-CB 4.08Å; Y26-Q31 HydrophobicContact CD2-CG 4.38Å; Y26-Q31 HydrophobicContact CE1-CB 3.57Å; Y26-Q31 HydrophobicContact CE1-CG 4.33Å; Y26-Q31 HydrophobicContact CE2-CB 4.05Å; Y26-Q31 HydrophobicContact CE2-CG 3.87Å; Y26-F32 VanDerWaalsContact N-CE1 3.33Å
27V98.8Very high98.3Very high0 Ų031.9 Ų31.90%017%0.167CC..EExtended strand (participates in β ladder)trans-111.6117.2156.6176.70000106.1S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.52Å; S3-V27 VanDerWaalsContact O-CA 3.29Å; S3-V27 WeakPolarHBondContact O-CA 3.45Å; M4-V27 HydrophobicContact CG-CG2 4.39Å; V27-D29 PolarHBondContact O-N 3.46Å; V27-T30 PolarHBondContact N-O 2.86Å; V27-T30 WeakPolarHBondContact O-CB 3.42Å; V27-T30 PolarHBondContact O-N 2.76Å; V27-F32 HydrophobicContact CG2-CD1 4.07Å; V27-F32 HydrophobicContact CG2-CE1 4.09Å; V27-W50 HydrophobicContact CB-CH2 4.45Å; V27-W50 HydrophobicContact CG2-CH2 3.9Å; V27-W50 HydrophobicContact CG2-CZ2 4.43Å; V27-L167 HydrophobicContact CG1-CD1 3.61Å; V27-L167 HydrophobicContact CG2-CD1 4.2Å; V27-Y170 HydrophobicContact CG2-CD2 3.96Å; V27-Y170 HydrophobicContact CG2-CG 4.49Å; V27-L171 HydrophobicContact CG1-CD2 4.1Å; V27-L178 HydrophobicContact CB-CD1 4.3Å; V27-L178 HydrophobicContact CB-CD2 4.19Å; V27-L178 HydrophobicContact CG1-CD1 3.93Å; V27-L178 HydrophobicContact CG1-CD2 4.1Å
28D98.4Very high98.5Very high30 Ų3032.3 Ų32.316%0.1616%0.156CC..THydrogen-bonded Turntrans47.7-129.9-166-52-42.9000110.4H2 S3 T30H2-D28 VanDerWaalsContact CA-OD1 3.24Å; H2-D28 WeakPolarHBondContact CA-OD1 3.45Å; H2-D28 IonicContact CE1-OD2 3.54Å; H2-D28 IonicContact CG-OD2 2.78Å; H2-D28 IonicContact ND1-OD1 3.6Å; H2-D28 IonicContact ND1-OD2 3.44Å; H2-D28 PolarHBondContact ND1-OD2 3.09Å; S3-D28 PolarHBondContact N-OD1 3.25Å; S3-D28 PolarHBondContact O-N 3.48Å; S3-D28 PolarHBondContact OG-OD1 3.04Å; D28-T30 VanDerWaalsContact C-N 3.28Å; D28-T30 PolarHBondContact O-N 2.86Å
29D98.4Very high98.5Very high63 Ų6330 Ų3034%0.33715%0.151SC..THydrogen-bonded Turntrans-86.211.1177.6-59-51.1000114.4V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 3.46Å; D29-Y208 HydrophobicContact CB-CE2 3.75Å; D29-P209 WeakPolarHBondContact OD2-CB 3.33Å; D29-A210 WeakPolarHBondContact OD2-CB 3.33Å; D29-A210 PolarHBondContact OD2-N 3.2Å; D29-F240 HydrophobicContact CB-CE2 3.78Å; D29-F240 HydrophobicContact CB-CZ 3.77Å
30T98.6Very high98.6Very high15 Ų1534.8 Ų34.89%0.09219%0.192CC..EExtended strand (participates in β ladder)trans-104.8112-178.3-59.30000111.4Y26 V27 D28 F32 A48 L178 Y208 R238Y26-T30 WeakPolarHBondContact CA-O 3.4Å; V27-T30 PolarHBondContact N-O 2.86Å; V27-T30 WeakPolarHBondContact O-CB 3.42Å; V27-T30 PolarHBondContact O-N 2.76Å; D28-T30 VanDerWaalsContact C-N 3.28Å; D28-T30 PolarHBondContact O-N 2.86Å; T30-F32 PolarHBondContact O-N 2.87Å; T30-A48 HydrophobicContact CG2-CB 4.5Å; T30-L178 HydrophobicContact CG2-CD2 4.09Å; T30-Y208 PolarHBondContact OG1-OH 3.01Å; T30-R238 PolarHBondContact OG1-NE 3.06Å
31Q98.6Very high98.5Very high56 Ų5634.6 Ų34.626%0.26220%0.202SC..EExtended strand (participates in β ladder)trans-67.4129.5171.8-167.9-179.8-100110.1V24 G25 Y26 V33 R47V24-Q31 VanDerWaalsContact CG1-NE2 3.31Å; G25-Q31 WeakPolarHBondContact O-CA 3.44Å; Y26-Q31 HydrophobicContact CD1-CB 4.08Å; Y26-Q31 HydrophobicContact CD2-CG 4.38Å; Y26-Q31 HydrophobicContact CE1-CB 3.57Å; Y26-Q31 HydrophobicContact CE1-CG 4.33Å; Y26-Q31 HydrophobicContact CE2-CB 4.05Å; Y26-Q31 HydrophobicContact CE2-CG 3.87Å; Q31-V33 PolarHBondContact NE2-O 3.27Å; Q31-R47 HydrophobicContact CG-CB 4.19Å; Q31-R47 HydrophobicContact CG-CG 4.43Å
32F98.7Very high98.5Very high0 Ų036 Ų360%021%0.211CC..EExtended strand (participates in β ladder)trans-117.5-22.4179.873.2-82.7000114.1M4 Y6 G25 Y26 V27 T30 R47 A48 W50 I51 Y170M4-F32 HydrophobicContact CG-CE1 4.44Å; M4-F32 HydrophobicContact SD-CZ 4.29Å; Y6-F32 HydrophobicContact CE1-CZ 4.28Å; Y6-F32 HydrophobicContact CE2-CZ 4.36Å; Y6-F32 AromaticContact CZ-CZ 3.78Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.44Å; G25-F32 WeakPolarHBondContact O-CD1 3.5Å; G25-F32 PolarHBondContact O-N 2.91Å; Y26-F32 VanDerWaalsContact N-CE1 3.33Å; V27-F32 HydrophobicContact CG2-CD1 4.07Å; V27-F32 HydrophobicContact CG2-CE1 4.09Å; T30-F32 PolarHBondContact O-N 2.87Å; F32-R47 PolarHBondContact O-N 3.06Å; F32-A48 HydrophobicContact CB-CB 4.08Å; F32-W50 HydrophobicContact CB-CH2 3.13Å; F32-W50 HydrophobicContact CB-CZ2 3.35Å; F32-W50 HydrophobicContact CB-CZ3 3.94Å; F32-W50 HydrophobicContact CD1-CH2 4.01Å; F32-W50 AromaticContact CD2-CH2 3.78Å; F32-W50 HydrophobicContact CD2-CH2 3.78Å; F32-W50 HydrophobicContact CD2-CZ3 4.03Å; F32-W50 AromaticContact CG-CH2 3.41Å; F32-W50 HydrophobicContact CG-CH2 3.41Å; F32-W50 VanDerWaalsContact CG-CH2 3.41Å; F32-W50 HydrophobicContact CG-CZ2 4.1Å; F32-W50 HydrophobicContact CG-CZ3 4.13Å; F32-I51 HydrophobicContact CD2-CB 4.44Å; F32-I51 HydrophobicContact CD2-CD1 4.01Å; F32-I51 HydrophobicContact CD2-CG1 4.03Å; F32-I51 HydrophobicContact CE2-CD1 4.33Å; F32-I51 VanDerWaalsContact O-CG2 3.3Å; F32-I51 WeakPolarHBondContact O-CG2 3.46Å; F32-Y170 HydrophobicContact CD2-CE2 4.49Å; F32-Y170 HydrophobicContact CE2-CD2 4.32Å; F32-Y170 AromaticContact CE2-CE2 3.69Å; F32-Y170 HydrophobicContact CE2-CE2 3.69Å; F32-Y170 HydrophobicContact CZ-CD2 4.38Å; F32-Y170 AromaticContact CZ-CE2 3.85Å; F32-Y170 HydrophobicContact CZ-CE2 3.85Å
33V98.8Very high98.4Very high0 Ų040.4 Ų40.40%023%0.225CC..EExtended strand (participates in β ladder)trans-143.9154.7-179-69.30000112.4Y6 V24 G25 Q31 K44 E45 I51 W59Y6-V33 HydrophobicContact CE1-CG2 3.92Å; V24-V33 WeakPolarHBondContact CA-O 3.27Å; G25-V33 PolarHBondContact N-O 2.9Å; G25-V33 VanDerWaalsContact N-O 3.12Å; Q31-V33 PolarHBondContact NE2-O 3.27Å; V33-K44 HydrophobicContact CB-CG 4.22Å; V33-K44 HydrophobicContact CG1-CD 4.35Å; V33-K44 HydrophobicContact CG1-CG 4.26Å; V33-E45 VanDerWaalsContact CA-O 3.29Å; V33-E45 WeakPolarHBondContact CA-O 3.46Å; V33-I51 HydrophobicContact CG1-CG1 4.26Å; V33-W59 HydrophobicContact CG1-CH2 4.32Å; V33-W59 HydrophobicContact CG1-CZ3 4.12Å
34R98.7Very high98.4Very high85 Ų8540.8 Ų40.832%0.32123%0.226SC..EExtended strand (participates in β ladder)trans-140.3150.2170.7179175.1171.1178.6-3.4111.1A23 V24 D36 K44 E45 R47A23-R34 CarbonylContact O-C 3.55Å; A23-R34 WeakPolarHBondContact O-CA 3.22Å; V24-R34 HydrophobicContact CG1-CB 4.47Å; V24-R34 HydrophobicContact CG1-CG 4.27Å; R34-D36 IonicContact CZ-OD2 3.48Å; R34-D36 IonicContact NH2-OD2 2.8Å; R34-D36 PolarHBondContact NH2-OD2 3.34Å; R34-K44 CarbonylContact O-C 3.53Å; R34-K44 WeakPolarHBondContact O-CA 3.36Å; R34-E45 PolarHBondContact N-O 3.13Å; R34-E45 PolarHBondContact O-N 2.82Å; R34-R47 HydrophobicContact CB-CG 4.04Å
35F98.8Very high98.4Very high2 Ų242.6 Ų42.61%0.00923%0.233CC..EExtended strand (participates in β ladder)trans-135.8142.7162.6176.6-83.4000109F21 I22 A23 P42 R43 F66 K67F21-F35 AromaticContact CD1-CD1 3.82Å; F21-F35 HydrophobicContact CD1-CD1 3.82Å; F21-F35 AromaticContact CD1-CE1 3.86Å; F21-F35 HydrophobicContact CD1-CE1 3.86Å; F21-F35 HydrophobicContact CE1-CD1 4.13Å; F21-F35 HydrophobicContact CE1-CE1 4.44Å; I22-F35 WeakPolarHBondContact CA-O 3.37Å; A23-F35 HydrophobicContact CB-CB 4.3Å; A23-F35 PolarHBondContact N-O 2.64Å; A23-F35 PolarHBondContact O-N 3.4Å; F35-P42 HydrophobicContact CE2-CB 3.89Å; F35-P42 HydrophobicContact CZ-CB 3.72Å; F35-R43 VanDerWaalsContact CD2-C 3.48Å; F35-R43 WeakPolarHBondContact CD2-O 3.21Å; F35-F66 HydrophobicContact CB-CB 4.17Å; F35-F66 HydrophobicContact CB-CD2 3.44Å; F35-F66 VanDerWaalsContact CB-CD2 3.44Å; F35-F66 HydrophobicContact CB-CE2 3.88Å; F35-F66 HydrophobicContact CB-CG 3.91Å; F35-F66 HydrophobicContact CD1-CB 3.82Å; F35-F66 HydrophobicContact CD1-CG 4.38Å; F35-F66 HydrophobicContact CD2-CB 3.52Å; F35-F66 AromaticContact CD2-CD2 3.82Å; F35-F66 HydrophobicContact CD2-CD2 3.82Å; F35-F66 HydrophobicContact CD2-CG 4.08Å; F35-F66 HydrophobicContact CE1-CB 4.04Å; F35-F66 HydrophobicContact CE2-CB 3.77Å; F35-F66 HydrophobicContact CG-CB 3.56Å; F35-F66 AromaticContact CG-CD2 3.75Å; F35-F66 HydrophobicContact CG-CD2 3.75Å; F35-F66 AromaticContact CG-CG 3.88Å; F35-F66 HydrophobicContact CG-CG 3.88Å; F35-F66 HydrophobicContact CZ-CB 4.02Å; F35-K67 HydrophobicContact CE2-CG 4.24Å; F35-K67 HydrophobicContact CZ-CG 4.11Å
36D98.8Very high98.4Very high15 Ų1544.8 Ų44.88%0.0825%0.247CC..EExtended strand (participates in β ladder)trans-141.1119.6177.6-163.9-25.7000109.6R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 3.72Å; R20-D36 IonicContact CZ-OD2 3.81Å; R20-D36 IonicContact NE-OD1 2.76Å; R20-D36 PolarHBondContact NE-OD1 3.29Å; R20-D36 IonicContact NE-OD2 3.43Å; R20-D36 IonicContact NH2-OD1 3.65Å; R20-D36 PolarHBondContact NH2-OD1 3.49Å; R20-D36 IonicContact NH2-OD2 3.12Å; R20-D36 PolarHBondContact NH2-OD2 3Å; R34-D36 IonicContact CZ-OD2 3.48Å; R34-D36 IonicContact NH2-OD2 2.8Å; R34-D36 PolarHBondContact NH2-OD2 3.34Å; D36-D38 PolarHBondContact O-N 2.86Å; D36-D38 PolarHBondContact OD1-N 2.82Å; D36-D38 VanDerWaalsContact OD1-N 3.14Å; D36-A39 HydrophobicContact CB-CB 4.46Å; D36-A39 WeakPolarHBondContact O-CB 3.37Å; D36-A39 PolarHBondContact O-N 3.28Å
37S98.4Very high98.3Very high25 Ų2547 Ų4718%0.17526%0.255CS..THydrogen-bonded Turntrans-65.7-21-179.467.90000113.3F21 P42F21-S37 PolarHBondContact N-OG 3.01Å; F21-S37 PolarHBondContact O-N 2.93Å; F21-S37 PolarHBondContact O-OG 3.04Å; S37-P42 WeakPolarHBondContact O-CG 3.44Å
38D98.1Very high98.3Very high67 Ų6747.2 Ų47.236%0.35826%0.256SS..THydrogen-bonded Turntrans-88.2-3.9179.8-76.87.3000112.9R13 R20 D36R13-D38 IonicContact CZ-OD1 2.8Å; R13-D38 IonicContact CZ-OD2 2.62Å; R13-D38 IonicContact NH1-OD1 3.42Å; R13-D38 IonicContact NH1-OD2 3.23Å; R13-D38 PolarHBondContact NH1-OD2 3.29Å; R13-D38 IonicContact NH2-OD1 3.6Å; R13-D38 PolarHBondContact NH2-OD1 3.32Å; R13-D38 IonicContact NH2-OD2 2.9Å; R13-D38 PolarHBondContact NH2-OD2 3.42Å; R20-D38 WeakPolarHBondContact CD-OD2 3.48Å; R20-D38 HydrophobicContact CG-CB 4.37Å; R20-D38 IonicContact NE-OD2 3.23Å; D36-D38 PolarHBondContact O-N 2.86Å; D36-D38 PolarHBondContact OD1-N 2.82Å; D36-D38 VanDerWaalsContact OD1-N 3.14Å
39A97.6Very high98.3Very high35 Ų3550.7 Ų50.729%0.28928%0.281SS..SBendtrans-62.5149.4173.300000110.7D36 S41 P42D36-A39 HydrophobicContact CB-CB 4.46Å; D36-A39 WeakPolarHBondContact O-CB 3.37Å; D36-A39 PolarHBondContact O-N 3.28Å; A39-S41 PolarHBondContact O-N 3.35Å; A39-S41 VanDerWaalsContact O-N 3.15Å; A39-P42 WeakPolarHBondContact O-CD 3.5Å; A39-P42 VanDerWaalsContact O-CG 3.29Å; A39-P42 WeakPolarHBondContact O-CG 3.38Å
40A97.6Very high98.2Very high118 Ų11848.6 Ų48.698%0.97527%0.268SS*.SBendtrans-58.2-31.7179.300000112.9
41S97.3Very high98.2Very high68 Ų6847.9 Ų47.948%0.47626%0.264SS..SBendtrans-134.987.4172.4-1730000108.8A39 R43A39-S41 PolarHBondContact O-N 3.35Å; A39-S41 VanDerWaalsContact O-N 3.15Å; S41-R43 PolarHBondContact O-N 2.85Å; S41-R43 VanDerWaalsContact O-N 3.09Å
42P97.8Very high98.1Very high32 Ų3251.1 Ų51.121%0.20828%0.279CS..  trans-61.7114.4-173.9-2636.4000112.1F35 S37 A39 K67F35-P42 HydrophobicContact CE2-CB 3.89Å; F35-P42 HydrophobicContact CZ-CB 3.72Å; S37-P42 WeakPolarHBondContact O-CG 3.44Å; A39-P42 WeakPolarHBondContact O-CD 3.5Å; A39-P42 VanDerWaalsContact O-CG 3.29Å; A39-P42 WeakPolarHBondContact O-CG 3.38Å; P42-K67 WeakPolarHBondContact O-CE 3.36Å
43R98.2Very high98Very high139 Ų13956.7 Ų56.753%0.52531%0.305SS..  trans-141.9158.5179.2-65.1-173.6179.9-150.7-2.6110.5F35 S41 E45 T63F35-R43 VanDerWaalsContact CD2-C 3.48Å; F35-R43 WeakPolarHBondContact CD2-O 3.21Å; S41-R43 PolarHBondContact O-N 2.85Å; S41-R43 VanDerWaalsContact O-N 3.09Å; R43-E45 PolarHBondContact O-N 3.31Å; R43-T63 HydrophobicContact CB-CG2 4.33Å; R43-T63 HydrophobicContact CG-CG2 4.22Å
44K98.2Very high98Very high7 Ų757.4 Ų57.43%0.0331%0.308CS..  trans-73.5122166.1-177.3173.9-176176.30107.5Y6 V33 R34 Y58 W59 N62 T63 F66Y6-K44 PolarHBondContact OH-NZ 2.93Å; V33-K44 HydrophobicContact CB-CG 4.22Å; V33-K44 HydrophobicContact CG1-CD 4.35Å; V33-K44 HydrophobicContact CG1-CG 4.26Å; R34-K44 CarbonylContact O-C 3.53Å; R34-K44 WeakPolarHBondContact O-CA 3.36Å; K44-Y58 WeakPolarHBondContact CE-OH 3.39Å; K44-Y58 PolarHBondContact NZ-OH 2.99Å; K44-W59 HydrophobicContact CB-CE3 4.28Å; K44-W59 HydrophobicContact CD-CE3 4.36Å; K44-W59 HydrophobicContact CD-CZ3 4.36Å; K44-W59 HydrophobicContact CG-CE3 4.01Å; K44-W59 HydrophobicContact CG-CZ3 3.91Å; K44-N62 HydrophobicContact CD-CB 3.34Å; K44-N62 PolarHBondContact NZ-OD1 2.8Å; K44-T63 PolarHBondContact N-OG1 3.18Å; K44-F66 HydrophobicContact CB-CD2 3.99Å; K44-F66 HydrophobicContact CB-CE2 3.99Å; K44-F66 HydrophobicContact CD-CD2 4.28Å; K44-F66 HydrophobicContact CD-CE2 3.59Å; K44-F66 HydrophobicContact CD-CZ 4.43Å; K44-F66 HydrophobicContact CG-CD2 4.26Å; K44-F66 HydrophobicContact CG-CE2 3.73Å
45E98.4Very high97.9Very high67 Ų6754.8 Ų54.831%0.31331%0.308SS..EExtended strand (participates in β ladder)trans-113.2141.8-175.3-64.5173.4159.100110.4V33 R34 R43 R47V33-E45 VanDerWaalsContact CA-O 3.29Å; V33-E45 WeakPolarHBondContact CA-O 3.46Å; R34-E45 PolarHBondContact N-O 3.13Å; R34-E45 PolarHBondContact O-N 2.82Å; R43-E45 PolarHBondContact O-N 3.31Å; E45-R47 IonicContact OE2-CZ 2.86Å; E45-R47 IonicContact OE2-NH2 3.19Å; E45-R47 PolarHBondContact OE2-NH2 3.46Å
46P98.5Very high97.9Very high47 Ų4758.7 Ų58.731%0.30533%0.333SS..EExtended strand (participates in β ladder)trans-67.6146.1172.529-34000111.2I51 E52 W59P46-I51 HydrophobicContact CB-CG2 3.75Å; P46-E52 HydrophobicContact CB-CG 3.79Å; P46-E52 HydrophobicContact CG-CG 4.13Å; P46-W59 HydrophobicContact CB-CH2 3.66Å; P46-W59 HydrophobicContact CB-CZ2 4.14Å; P46-W59 HydrophobicContact CB-CZ3 4.44Å; P46-W59 HydrophobicContact CG-CH2 4.28Å
47R98.4Very high97.8Very high116 Ų11664.6 Ų64.644%0.43836%0.361SS..  trans-131.80.3173.9-60.3-64.6172.5-156.54113.2Q31 F32 R34 E45Q31-R47 HydrophobicContact CG-CB 4.19Å; Q31-R47 HydrophobicContact CG-CG 4.43Å; F32-R47 PolarHBondContact O-N 3.06Å; R34-R47 HydrophobicContact CB-CG 4.04Å; E45-R47 IonicContact OE2-CZ 2.86Å; E45-R47 IonicContact OE2-NH2 3.19Å; E45-R47 PolarHBondContact OE2-NH2 3.46Å
48A97.8Very high97.8Very high4 Ų464.3 Ų64.33%0.03336%0.356CS..SBendtrans-138.6144.817300000110.5T30 F32 W50 I51T30-A48 HydrophobicContact CG2-CB 4.5Å; F32-A48 HydrophobicContact CB-CB 4.08Å; A48-W50 VanDerWaalsContact C-N 3.31Å; A48-W50 HydrophobicContact CB-CD2 4.21Å; A48-W50 HydrophobicContact CB-CG 4.43Å; A48-W50 HydrophobicContact CB-CZ2 4.01Å; A48-W50 PolarHBondContact O-N 3.43Å; A48-I51 WeakPolarHBondContact O-CG2 2.95Å; A48-I51 PolarHBondContact O-N 3.17Å
49P97.8Very high97.8Very high104 Ų10463 Ų6368%0.67535%0.346SS*.G310 helixtrans-59.1-39.1-176.2-26.334.7000113.9I51 E52P49-I51 PolarHBondContact O-N 3.09Å; P49-I51 VanDerWaalsContact O-N 3.16Å; P49-E52 WeakPolarHBondContact O-CB 3.31Å; P49-E52 PolarHBondContact O-N 3.15Å; P49-E52 VanDerWaalsContact O-N 3.08Å
50W97.8Very high97.9Very high19 Ų1966 Ų667%0.07236%0.357CS..G310 helixtrans-68.9-13.3-175.453-105.7000114.5V27 F32 A48 Q53 Y170 N173 L178V27-W50 HydrophobicContact CB-CH2 4.45Å; V27-W50 HydrophobicContact CG2-CH2 3.9Å; V27-W50 HydrophobicContact CG2-CZ2 4.43Å; F32-W50 HydrophobicContact CB-CH2 3.13Å; F32-W50 HydrophobicContact CB-CZ2 3.35Å; F32-W50 HydrophobicContact CB-CZ3 3.94Å; F32-W50 HydrophobicContact CD1-CH2 4.01Å; F32-W50 AromaticContact CD2-CH2 3.78Å; F32-W50 HydrophobicContact CD2-CH2 3.78Å; F32-W50 HydrophobicContact CD2-CZ3 4.03Å; F32-W50 AromaticContact CG-CH2 3.41Å; F32-W50 HydrophobicContact CG-CH2 3.41Å; F32-W50 VanDerWaalsContact CG-CH2 3.41Å; F32-W50 HydrophobicContact CG-CZ2 4.1Å; F32-W50 HydrophobicContact CG-CZ3 4.13Å; A48-W50 VanDerWaalsContact C-N 3.31Å; A48-W50 HydrophobicContact CB-CD2 4.21Å; A48-W50 HydrophobicContact CB-CG 4.43Å; A48-W50 HydrophobicContact CB-CZ2 4.01Å; A48-W50 PolarHBondContact O-N 3.43Å; W50-Q53 WeakPolarHBondContact O-CG 3.4Å; W50-Y170 HydrophobicContact CE3-CD1 4.33Å; W50-Y170 HydrophobicContact CE3-CG 4.48Å; W50-Y170 HydrophobicContact CH2-CD2 4.46Å; W50-Y170 HydrophobicContact CH2-CG 4.15Å; W50-Y170 AromaticContact CZ3-CD1 3.69Å; W50-Y170 HydrophobicContact CZ3-CD1 3.69Å; W50-Y170 HydrophobicContact CZ3-CD2 4.23Å; W50-Y170 HydrophobicContact CZ3-CE1 4.42Å; W50-Y170 AromaticContact CZ3-CG 3.59Å; W50-Y170 HydrophobicContact CZ3-CG 3.59Å; W50-N173 HydrophobicContact CB-CB 4.44Å; W50-L178 HydrophobicContact CD2-CD1 4.39Å; W50-L178 HydrophobicContact CH2-CD1 4.35Å; W50-L178 HydrophobicContact CZ2-CD1 3.81Å; W50-L178 HydrophobicContact CZ2-CD2 4.19Å; W50-L178 HydrophobicContact CZ2-CG 4.42Å
51I98.3Very high97.9Very high0 Ų068.1 Ų68.10%034%0.34CS..G310 helixtrans-89.3-19.1173.8-163.169.9000112F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-I51 HydrophobicContact CD2-CB 4.44Å; F32-I51 HydrophobicContact CD2-CD1 4.01Å; F32-I51 HydrophobicContact CD2-CG1 4.03Å; F32-I51 HydrophobicContact CE2-CD1 4.33Å; F32-I51 VanDerWaalsContact O-CG2 3.3Å; F32-I51 WeakPolarHBondContact O-CG2 3.46Å; V33-I51 HydrophobicContact CG1-CG1 4.26Å; P46-I51 HydrophobicContact CB-CG2 3.75Å; A48-I51 WeakPolarHBondContact O-CG2 2.95Å; A48-I51 PolarHBondContact O-N 3.17Å; P49-I51 PolarHBondContact O-N 3.09Å; P49-I51 VanDerWaalsContact O-N 3.16Å; I51-Q53 PolarHBondContact O-N 3.11Å; I51-E54 HydrophobicContact CD1-CG 3.7Å; I51-E54 HydrophobicContact CG1-CG 4.24Å; I51-E54 WeakPolarHBondContact O-CB 3.4Å; I51-E54 WeakPolarHBondContact O-CG 3.45Å; I51-E54 PolarHBondContact O-N 2.71Å; I51-E54 VanDerWaalsContact O-N 3.08Å; I51-Y58 HydrophobicContact CD1-CE1 4.15Å; I51-Y58 HydrophobicContact CG1-CE1 4.15Å; I51-W59 HydrophobicContact CB-CH2 4.43Å; I51-W59 HydrophobicContact CG1-CH2 3.77Å; I51-W59 HydrophobicContact CG1-CZ2 4.1Å; I51-W59 HydrophobicContact CG2-CH2 3.96Å; I51-W59 HydrophobicContact CG2-CZ2 4.44Å; I51-W59 VanDerWaalsContact O-CZ2 3.3Å; I51-W59 WeakPolarHBondContact O-CZ2 3.4Å; I51-Y170 HydrophobicContact CD1-CD1 3.89Å; I51-Y170 HydrophobicContact CD1-CE1 3.29Å
52E97.3Very high97.9Very high123 Ų12366.3 Ų66.358%0.57533%0.325SS*.THydrogen-bonded Turntrans-64.6-23.7-175.2-65-179.6-173.600113.3P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.79Å; P46-E52 HydrophobicContact CG-CG 4.13Å; P49-E52 WeakPolarHBondContact O-CB 3.31Å; P49-E52 PolarHBondContact O-N 3.15Å; P49-E52 VanDerWaalsContact O-N 3.08Å; E52-E54 PolarHBondContact O-N 3.18Å
53Q96.4Very high97.9Very high117 Ų11765.3 Ų65.355%0.54732%0.318SS..THydrogen-bonded Turntrans-71.7-11176.266.5176.41300114.4W50 I51 N173W50-Q53 WeakPolarHBondContact O-CG 3.4Å; I51-Q53 PolarHBondContact O-N 3.11Å; Q53-N173 VanDerWaalsContact NE2-CB 3.33Å; Q53-N173 PolarHBondContact NE2-ND2 3.09Å; Q53-N173 PolarHBondContact NE2-OD1 3.28Å; Q53-N173 VanDerWaalsContact NE2-OD1 3.1Å
54E97.9Very high97.9Very high16 Ų1663.9 Ų63.98%0.07532%0.317CS..SBendtrans-66.9137.9175.8-62.7-60.5164.700110.8I51 E52 Y58 W59 R169 N173I51-E54 HydrophobicContact CD1-CG 3.7Å; I51-E54 HydrophobicContact CG1-CG 4.24Å; I51-E54 WeakPolarHBondContact O-CB 3.4Å; I51-E54 WeakPolarHBondContact O-CG 3.45Å; I51-E54 PolarHBondContact O-N 2.71Å; I51-E54 VanDerWaalsContact O-N 3.08Å; E52-E54 PolarHBondContact O-N 3.18Å; E54-Y58 HydrophobicContact CB-CD1 3.54Å; E54-Y58 HydrophobicContact CB-CE1 4.15Å; E54-Y58 HydrophobicContact CB-CG 3.8Å; E54-Y58 HydrophobicContact CG-CD1 4.04Å; E54-Y58 HydrophobicContact CG-CE1 4.23Å; E54-Y58 HydrophobicContact CG-CG 4.22Å; E54-W59 PolarHBondContact O-NE1 2.95Å; E54-R169 IonicContact OE1-CZ 3.94Å; E54-R169 IonicContact OE1-NE 2.75Å; E54-R169 PolarHBondContact OE1-NE 3.25Å; E54-R169 IonicContact OE1-NH2 2.98Å; E54-R169 PolarHBondContact OE1-NH2 3.09Å; E54-R169 IonicContact OE2-CZ 3.8Å; E54-R169 IonicContact OE2-NE 2.94Å; E54-R169 PolarHBondContact OE2-NE 2.83Å; E54-R169 IonicContact OE2-NH2 3.75Å; E54-R169 PolarHBondContact OE2-NH2 3.15Å; E54-N173 PolarHBondContact OE1-ND2 2.98Å
55G97.6Very high97.9Very high30 Ų3066.7 Ų66.731%0.30933%0.332SS..  trans-67.8166.8-175.900000114.4E57 Y58 W59G55-E57 PolarHBondContact O-N 3.47Å; G55-E57 VanDerWaalsContact O-N 3.17Å; G55-Y58 WeakPolarHBondContact O-CB 3.46Å; G55-Y58 PolarHBondContact O-N 3.35Å; G55-W59 VanDerWaalsContact O-CD1 3.22Å
56P97.7Very high97.9Very high83 Ų8363.7 Ų63.754%0.53932%0.318SS..Hα-helixtrans-56.8-33.1-17923.7-33.2000113Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.27Å; P56-Y58 PolarHBondContact O-N 2.89Å; P56-W59 PolarHBondContact O-N 3.3Å; P56-W59 VanDerWaalsContact O-N 3.15Å; P56-D60 WeakPolarHBondContact O-CB 3.27Å; P56-D60 PolarHBondContact O-N 2.92Å
57E97.9Very high97.9Very high140 Ų14065.6 Ų65.665%0.65432%0.321SS*.Hα-helixtrans-61.7-35.6178.6-58.879.4-17400112.1G55 R61G55-E57 PolarHBondContact O-N 3.47Å; G55-E57 VanDerWaalsContact O-N 3.17Å; E57-R61 WeakPolarHBondContact O-CB 3.15Å; E57-R61 PolarHBondContact O-N 3.36Å
58Y97.9Very high97.8Very high18 Ų1863.6 Ų63.67%0.07132%0.322CS..Hα-helixtrans-65.1-47.9175.2169.8-95.3000110.6K44 I51 E54 G55 P56 N62 W166 Y170K44-Y58 WeakPolarHBondContact CE-OH 3.39Å; K44-Y58 PolarHBondContact NZ-OH 2.99Å; I51-Y58 HydrophobicContact CD1-CE1 4.15Å; I51-Y58 HydrophobicContact CG1-CE1 4.15Å; E54-Y58 HydrophobicContact CB-CD1 3.54Å; E54-Y58 HydrophobicContact CB-CE1 4.15Å; E54-Y58 HydrophobicContact CB-CG 3.8Å; E54-Y58 HydrophobicContact CG-CD1 4.04Å; E54-Y58 HydrophobicContact CG-CE1 4.23Å; E54-Y58 HydrophobicContact CG-CG 4.22Å; G55-Y58 WeakPolarHBondContact O-CB 3.46Å; G55-Y58 PolarHBondContact O-N 3.35Å; P56-Y58 VanDerWaalsContact C-N 3.27Å; P56-Y58 PolarHBondContact O-N 2.89Å; Y58-N62 WeakPolarHBondContact CD2-ND2 3.19Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.26Å; Y58-N62 WeakPolarHBondContact O-CB 3.44Å; Y58-N62 PolarHBondContact O-N 2.84Å; Y58-N62 VanDerWaalsContact O-N 3.08Å; Y58-N62 PolarHBondContact O-ND2 3.15Å; Y58-W166 AromaticContact CD2-CH2 3.62Å; Y58-W166 HydrophobicContact CD2-CH2 3.62Å; Y58-W166 HydrophobicContact CD2-CZ2 4.09Å; Y58-W166 HydrophobicContact CD2-CZ3 4.11Å; Y58-W166 AromaticContact CE2-CH2 3.96Å; Y58-W166 HydrophobicContact CE2-CH2 3.96Å; Y58-W166 HydrophobicContact CE2-CZ2 4.37Å; Y58-W166 HydrophobicContact CE2-CZ3 4.05Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.47Å; Y58-Y170 PolarHBondContact OH-OH 2.77Å
59W98.4Very high97.8Very high40 Ų4064.8 Ų64.815%0.15233%0.328CS..Hα-helixtrans-66.8-44.7-178-63111.1000112.4V33 K44 P46 I51 E54 G55 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.32Å; V33-W59 HydrophobicContact CG1-CZ3 4.12Å; K44-W59 HydrophobicContact CB-CE3 4.28Å; K44-W59 HydrophobicContact CD-CE3 4.36Å; K44-W59 HydrophobicContact CD-CZ3 4.36Å; K44-W59 HydrophobicContact CG-CE3 4.01Å; K44-W59 HydrophobicContact CG-CZ3 3.91Å; P46-W59 HydrophobicContact CB-CH2 3.66Å; P46-W59 HydrophobicContact CB-CZ2 4.14Å; P46-W59 HydrophobicContact CB-CZ3 4.44Å; P46-W59 HydrophobicContact CG-CH2 4.28Å; I51-W59 HydrophobicContact CB-CH2 4.43Å; I51-W59 HydrophobicContact CG1-CH2 3.77Å; I51-W59 HydrophobicContact CG1-CZ2 4.1Å; I51-W59 HydrophobicContact CG2-CH2 3.96Å; I51-W59 HydrophobicContact CG2-CZ2 4.44Å; I51-W59 VanDerWaalsContact O-CZ2 3.3Å; I51-W59 WeakPolarHBondContact O-CZ2 3.4Å; E54-W59 PolarHBondContact O-NE1 2.95Å; G55-W59 VanDerWaalsContact O-CD1 3.22Å; P56-W59 PolarHBondContact O-N 3.3Å; P56-W59 VanDerWaalsContact O-N 3.15Å; W59-T63 WeakPolarHBondContact O-CB 3.39Å; W59-T63 PolarHBondContact O-N 2.78Å; W59-T63 PolarHBondContact O-OG1 2.97Å
60D98.3Very high97.9Very high99 Ų9960.4 Ų60.453%0.52930%0.299SS..Hα-helixtrans-67.4-47.8-179.3-73.9-20.1000111.2P56 N62 T63 Q64P56-D60 WeakPolarHBondContact O-CB 3.27Å; P56-D60 PolarHBondContact O-N 2.92Å; D60-N62 PolarHBondContact O-N 3.37Å; D60-T63 PolarHBondContact O-N 3.43Å; D60-Q64 PolarHBondContact O-N 2.81Å
61R97.8Very high97.9Very high162 Ų16264.4 Ų64.461%0.61132%0.319SS*.Hα-helixtrans-57.9-49.9177.5179.5-178.8174-173.9-1111.3E57 Q64 I65E57-R61 WeakPolarHBondContact O-CB 3.15Å; E57-R61 PolarHBondContact O-N 3.36Å; R61-Q64 PolarHBondContact O-N 2.85Å; R61-I65 HydrophobicContact CG-CD1 4.26Å; R61-I65 WeakPolarHBondContact O-CG1 3.04Å; R61-I65 PolarHBondContact O-N 3.01Å
62N97.3Very high97.9Very high29 Ų2967 Ų6716%0.15534%0.335CS..Hα-helixtrans-72.8-32-177-76.5-92.1000112.7K44 Y58 D60 Q64 I65 F66K44-N62 HydrophobicContact CD-CB 3.34Å; K44-N62 PolarHBondContact NZ-OD1 2.8Å; Y58-N62 WeakPolarHBondContact CD2-ND2 3.19Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.26Å; Y58-N62 WeakPolarHBondContact O-CB 3.44Å; Y58-N62 PolarHBondContact O-N 2.84Å; Y58-N62 VanDerWaalsContact O-N 3.08Å; Y58-N62 PolarHBondContact O-ND2 3.15Å; D60-N62 PolarHBondContact O-N 3.37Å; N62-Q64 VanDerWaalsContact C-N 3.28Å; N62-Q64 PolarHBondContact O-N 2.75Å; N62-I65 PolarHBondContact O-N 2.66Å; N62-F66 WeakPolarHBondContact O-CD2 3.19Å; N62-F66 PolarHBondContact O-N 3.01Å
63T98.5Very high97.9Very high11 Ų1161.6 Ų61.67%0.06731%0.309CS..Hα-helixtrans-58.9-44.2170.2-68.70000110.5R43 K44 W59 D60 F66 K67R43-T63 HydrophobicContact CB-CG2 4.33Å; R43-T63 HydrophobicContact CG-CG2 4.22Å; K44-T63 PolarHBondContact N-OG1 3.18Å; W59-T63 WeakPolarHBondContact O-CB 3.39Å; W59-T63 PolarHBondContact O-N 2.78Å; W59-T63 PolarHBondContact O-OG1 2.97Å; D60-T63 PolarHBondContact O-N 3.43Å; T63-F66 PolarHBondContact O-N 3.14Å; T63-K67 HydrophobicContact CG2-CD 4.25Å; T63-K67 WeakPolarHBondContact O-CG 3.44Å; T63-K67 PolarHBondContact O-N 2.94Å
64Q98.4Very high97.9Very high110 Ų11058.2 Ų58.251%0.51429%0.292SS..Hα-helixtrans-65.3-39.3177.6-169.558.824.500112D60 R61 N62 F66 K67 T68D60-Q64 PolarHBondContact O-N 2.81Å; R61-Q64 PolarHBondContact O-N 2.85Å; N62-Q64 VanDerWaalsContact C-N 3.28Å; N62-Q64 PolarHBondContact O-N 2.75Å; Q64-F66 PolarHBondContact O-N 2.81Å; Q64-K67 PolarHBondContact O-N 2.84Å; Q64-T68 PolarHBondContact O-N 3.31Å; Q64-T68 PolarHBondContact O-OG1 3Å
65I97.6Very high97.9Very high66 Ų6663 Ų6334%0.33831%0.314SS..Hα-helixtrans-57.2-47.4173.3-69.5167.9000110.9R61 N62 K67 T68 N69R61-I65 HydrophobicContact CG-CD1 4.26Å; R61-I65 WeakPolarHBondContact O-CG1 3.04Å; R61-I65 PolarHBondContact O-N 3.01Å; N62-I65 PolarHBondContact O-N 2.66Å; I65-K67 PolarHBondContact O-N 2.77Å; I65-T68 PolarHBondContact O-N 2.66Å; I65-N69 WeakPolarHBondContact O-CB 3.06Å; I65-N69 PolarHBondContact O-N 3.45Å
66F98.1Very high98Very high3 Ų364.3 Ų64.31%0.01331%0.314CS..Hα-helixtrans-67.7-34178.5-68.9-40.6000113.6Y6 Y8 F21 A23 F35 K44 N62 T63 Q64 N69 T70Y6-F66 HydrophobicContact CD1-CZ 4.34Å; Y6-F66 HydrophobicContact CE1-CZ 4.15Å; Y8-F66 HydrophobicContact CE1-CD1 4.32Å; Y8-F66 AromaticContact CE1-CE1 3.62Å; Y8-F66 HydrophobicContact CE1-CE1 3.62Å; Y8-F66 AromaticContact CZ-CE1 3.79Å; Y8-F66 WeakPolarHBondContact OH-CE1 3.28Å; F21-F66 HydrophobicContact CE1-CB 4.42Å; F21-F66 HydrophobicContact CE1-CD1 4.28Å; A23-F66 HydrophobicContact CB-CD1 3.87Å; A23-F66 HydrophobicContact CB-CE1 3.6Å; A23-F66 HydrophobicContact CB-CG 4.49Å; A23-F66 HydrophobicContact CB-CZ 3.96Å; F35-F66 HydrophobicContact CB-CB 4.17Å; F35-F66 HydrophobicContact CB-CD2 3.44Å; F35-F66 VanDerWaalsContact CB-CD2 3.44Å; F35-F66 HydrophobicContact CB-CE2 3.88Å; F35-F66 HydrophobicContact CB-CG 3.91Å; F35-F66 HydrophobicContact CD1-CB 3.82Å; F35-F66 HydrophobicContact CD1-CG 4.38Å; F35-F66 HydrophobicContact CD2-CB 3.52Å; F35-F66 AromaticContact CD2-CD2 3.82Å; F35-F66 HydrophobicContact CD2-CD2 3.82Å; F35-F66 HydrophobicContact CD2-CG 4.08Å; F35-F66 HydrophobicContact CE1-CB 4.04Å; F35-F66 HydrophobicContact CE2-CB 3.77Å; F35-F66 HydrophobicContact CG-CB 3.56Å; F35-F66 AromaticContact CG-CD2 3.75Å; F35-F66 HydrophobicContact CG-CD2 3.75Å; F35-F66 AromaticContact CG-CG 3.88Å; F35-F66 HydrophobicContact CG-CG 3.88Å; F35-F66 HydrophobicContact CZ-CB 4.02Å; K44-F66 HydrophobicContact CB-CD2 3.99Å; K44-F66 HydrophobicContact CB-CE2 3.99Å; K44-F66 HydrophobicContact CD-CD2 4.28Å; K44-F66 HydrophobicContact CD-CE2 3.59Å; K44-F66 HydrophobicContact CD-CZ 4.43Å; K44-F66 HydrophobicContact CG-CD2 4.26Å; K44-F66 HydrophobicContact CG-CE2 3.73Å; N62-F66 WeakPolarHBondContact O-CD2 3.19Å; N62-F66 PolarHBondContact O-N 3.01Å; T63-F66 PolarHBondContact O-N 3.14Å; Q64-F66 PolarHBondContact O-N 2.81Å; F66-N69 PolarHBondContact O-N 2.04Å; F66-T70 PolarHBondContact O-N 3.06Å; F66-T70 PolarHBondContact O-OG1 3.45Å
67K98.2Very high98Very high87 Ų8760.7 Ų60.738%0.37829%0.29SS..Hα-helixtrans-64.9-42.6172.3-74.6-179.9177.2-179.20112F35 P42 T63 Q64 I65 T70 Q71F35-K67 HydrophobicContact CE2-CG 4.24Å; F35-K67 HydrophobicContact CZ-CG 4.11Å; P42-K67 WeakPolarHBondContact O-CE 3.36Å; T63-K67 HydrophobicContact CG2-CD 4.25Å; T63-K67 WeakPolarHBondContact O-CG 3.44Å; T63-K67 PolarHBondContact O-N 2.94Å; Q64-K67 PolarHBondContact O-N 2.84Å; I65-K67 PolarHBondContact O-N 2.77Å; K67-T70 WeakPolarHBondContact O-CB 3.32Å; K67-T70 PolarHBondContact O-N 3.39Å; K67-Q71 PolarHBondContact O-N 3.47Å
68T98.2Very high98Very high75 Ų7560 Ų6046%0.4628%0.281SS..Hα-helixtrans-61.8-48.3173-61.80000110.7Q64 I65 T70 Q71 T72Q64-T68 PolarHBondContact O-N 3.31Å; Q64-T68 PolarHBondContact O-OG1 3Å; I65-T68 PolarHBondContact O-N 2.66Å; T68-T70 VanDerWaalsContact C-N 3.27Å; T68-T70 PolarHBondContact O-N 2.98Å; T68-Q71 PolarHBondContact O-N 2.94Å; T68-T72 PolarHBondContact O-N 3.4Å; T68-T72 PolarHBondContact O-OG1 3.24Å
69N97.6Very high98Very high29 Ų2960.6 Ų60.616%0.15529%0.285CS..Hα-helixtrans-58.1-39.3176.9-77.1-24.5000111.9F21 I65 F66 Q71 T72 Y73F21-N69 HydrophobicContact CE1-CB 4.29Å; F21-N69 HydrophobicContact CE2-CB 4.42Å; F21-N69 HydrophobicContact CZ-CB 3.88Å; I65-N69 WeakPolarHBondContact O-CB 3.06Å; I65-N69 PolarHBondContact O-N 3.45Å; F66-N69 PolarHBondContact O-N 2.04Å; N69-Q71 PolarHBondContact O-N 3.47Å; N69-T72 PolarHBondContact O-N 2.96Å; N69-T72 VanDerWaalsContact O-N 3.12Å; N69-Y73 HydrophobicContact CB-CD2 4.28Å; N69-Y73 HydrophobicContact CB-CE2 4.37Å; N69-Y73 VanDerWaalsContact O-CD2 3.25Å; N69-Y73 WeakPolarHBondContact O-CD2 3.31Å; N69-Y73 PolarHBondContact O-N 2.85Å
70T98.1Very high97.9Very high12 Ų1259 Ų597%0.07428%0.281CS..Hα-helixtrans-54.1-41175.5-59.40000111.6F21 F66 K67 T68 R74F21-T70 HydrophobicContact CB-CG2 3.91Å; F21-T70 VanDerWaalsContact CD1-OG1 3.28Å; F21-T70 WeakPolarHBondContact CD1-OG1 3.47Å; F66-T70 PolarHBondContact O-N 3.06Å; F66-T70 PolarHBondContact O-OG1 3.45Å; K67-T70 WeakPolarHBondContact O-CB 3.32Å; K67-T70 PolarHBondContact O-N 3.39Å; T68-T70 VanDerWaalsContact C-N 3.27Å; T68-T70 PolarHBondContact O-N 2.98Å; T70-R74 WeakPolarHBondContact O-CB 3.4Å; T70-R74 PolarHBondContact O-N 3.44Å
71Q98.1Very high97.9Very high102 Ų10255.7 Ų55.748%0.47726%0.263SS..Hα-helixtrans-73.3-42.9176.5-58.7-53.3-41.300112K67 T68 N69 Y73 R74 E75K67-Q71 PolarHBondContact O-N 3.47Å; T68-Q71 PolarHBondContact O-N 2.94Å; N69-Q71 PolarHBondContact O-N 3.47Å; Q71-Y73 PolarHBondContact O-N 2.98Å; Q71-R74 WeakPolarHBondContact O-CB 3.19Å; Q71-R74 PolarHBondContact O-N 2.62Å; Q71-E75 PolarHBondContact O-N 3.19Å
72T97.9Very high97.9Very high56 Ų5655.4 Ų55.434%0.34426%0.262SS..Hα-helixtrans-58-46.4176.7-57.90000112T68 N69 R74 E75 N76T68-T72 PolarHBondContact O-N 3.4Å; T68-T72 PolarHBondContact O-OG1 3.24Å; N69-T72 PolarHBondContact O-N 2.96Å; N69-T72 VanDerWaalsContact O-N 3.12Å; T72-R74 VanDerWaalsContact C-N 3.34Å; T72-R74 PolarHBondContact O-N 2.9Å; T72-E75 PolarHBondContact O-N 3.4Å; T72-N76 PolarHBondContact O-N 3Å; T72-N76 PolarHBondContact O-ND2 3.23Å; T72-N76 PolarHBondContact O-OD1 3.43Å
73Y97.6Very high97.9Very high9 Ų956.2 Ų56.24%0.03526%0.263CS..Hα-helixtrans-70.2-30.5179.6-81.7-82.2000113.2Y8 A10 F21 N69 Q71 E75 N76 L77 I94 R96Y8-Y73 AromaticContact CD2-CE2 3.72Å; Y8-Y73 HydrophobicContact CD2-CE2 3.72Å; Y8-Y73 AromaticContact CD2-CZ 3.94Å; Y8-Y73 HydrophobicContact CE2-CE2 4.38Å; A10-Y73 HydrophobicContact CB-CD1 4.03Å; A10-Y73 HydrophobicContact CB-CG 4.01Å; F21-Y73 HydrophobicContact CD2-CD2 4.01Å; F21-Y73 HydrophobicContact CD2-CG 4.23Å; F21-Y73 AromaticContact CE2-CD2 3.44Å; F21-Y73 HydrophobicContact CE2-CD2 3.44Å; F21-Y73 VanDerWaalsContact CE2-CD2 3.44Å; F21-Y73 AromaticContact CE2-CE2 3.85Å; F21-Y73 HydrophobicContact CE2-CE2 3.85Å; F21-Y73 HydrophobicContact CE2-CG 4.03Å; F21-Y73 HydrophobicContact CZ-CD2 4.31Å; F21-Y73 HydrophobicContact CZ-CE2 4.47Å; N69-Y73 HydrophobicContact CB-CD2 4.28Å; N69-Y73 HydrophobicContact CB-CE2 4.37Å; N69-Y73 VanDerWaalsContact O-CD2 3.25Å; N69-Y73 WeakPolarHBondContact O-CD2 3.31Å; N69-Y73 PolarHBondContact O-N 2.85Å; Q71-Y73 PolarHBondContact O-N 2.98Å; Y73-E75 VanDerWaalsContact C-N 3.35Å; Y73-N76 PolarHBondContact O-N 3.07Å; Y73-L77 WeakPolarHBondContact O-CG 3.37Å; Y73-L77 PolarHBondContact O-N 3.12Å; Y73-I94 HydrophobicContact CD1-CB 4.19Å; Y73-I94 HydrophobicContact CD1-CG2 3.65Å; Y73-I94 HydrophobicContact CE1-CG2 3.57Å; Y73-R96 VanDerWaalsContact OH-CB 3.26Å; Y73-R96 WeakPolarHBondContact OH-CB 3.43Å; Y73-R96 WeakPolarHBondContact OH-CD 3.27Å
74R97.7Very high97.9Very high46 Ų4658.8 Ų58.817%0.17427%0.272CS..Hα-helixtrans-62.2-43.7170.6178.4-175.6-63-179.1-2.6111.3E18 P19 T70 Q71 T72 R78E18-R74 VanDerWaalsContact CD-CZ 3.45Å; E18-R74 VanDerWaalsContact CG-CZ 3.45Å; E18-R74 IonicContact OE1-NH1 3.11Å; E18-R74 WeakPolarHBondContact OE2-CD 3.36Å; E18-R74 IonicContact OE2-CZ 3.74Å; E18-R74 VanDerWaalsContact OE2-CZ 3.3Å; E18-R74 IonicContact OE2-NE 2.66Å; E18-R74 PolarHBondContact OE2-NE 3.06Å; E18-R74 IonicContact OE2-NH1 2.77Å; E18-R74 IonicContact OE2-NH2 3.84Å; P19-R74 HydrophobicContact CG-CG 4.17Å; T70-R74 WeakPolarHBondContact O-CB 3.4Å; T70-R74 PolarHBondContact O-N 3.44Å; Q71-R74 WeakPolarHBondContact O-CB 3.19Å; Q71-R74 PolarHBondContact O-N 2.62Å; T72-R74 VanDerWaalsContact C-N 3.34Å; T72-R74 PolarHBondContact O-N 2.9Å; R74-R78 PolarHBondContact O-N 3.38Å
75E97.9Very high97.9Very high115 Ų11560.8 Ų60.854%0.53729%0.286SS..Hα-helixtrans-66.2-43.1174.3-173.5174.8-174.600111.7Q71 T72 Y73 L77 R78 I79Q71-E75 PolarHBondContact O-N 3.19Å; T72-E75 PolarHBondContact O-N 3.4Å; Y73-E75 VanDerWaalsContact C-N 3.35Å; E75-L77 VanDerWaalsContact C-N 3.3Å; E75-L77 PolarHBondContact O-N 2.85Å; E75-R78 WeakPolarHBondContact O-CA 3.04Å; E75-R78 WeakPolarHBondContact O-CB 3.21Å; E75-R78 PolarHBondContact O-N 3.04Å; E75-I79 HydrophobicContact CG-CD1 3.98Å; E75-I79 HydrophobicContact CG-CG1 4.46Å; E75-I79 WeakPolarHBondContact O-CG1 3.49Å; E75-I79 PolarHBondContact O-N 3.46Å
76N98.1Very high97.9Very high58 Ų5860.7 Ų60.731%0.3128%0.284SS..Hα-helixtrans-59.7-38.6178-68.9-15.9000112.3T72 Y73 R78 I79 A80 I94T72-N76 PolarHBondContact O-N 3Å; T72-N76 PolarHBondContact O-ND2 3.23Å; T72-N76 PolarHBondContact O-OD1 3.43Å; Y73-N76 PolarHBondContact O-N 3.07Å; N76-R78 VanDerWaalsContact C-N 3.33Å; N76-R78 PolarHBondContact O-N 2.88Å; N76-I79 PolarHBondContact O-N 2.85Å; N76-A80 WeakPolarHBondContact O-CB 3.36Å; N76-A80 PolarHBondContact O-N 3.49Å; N76-I94 HydrophobicContact CB-CD1 3.69Å
77L98.4Very high97.8Very high7 Ų764.5 Ų64.54%0.03731%0.311CS..Hα-helixtrans-59.7-43.1173.2-78.7163.4000111.6A10 P19 Y73 E75 I79 A80 L81 H92 I94 Y117A10-L77 HydrophobicContact CB-CD1 4.17Å; P19-L77 HydrophobicContact CB-CD1 3.56Å; P19-L77 HydrophobicContact CG-CD1 3.74Å; Y73-L77 WeakPolarHBondContact O-CG 3.37Å; Y73-L77 PolarHBondContact O-N 3.12Å; E75-L77 VanDerWaalsContact C-N 3.3Å; E75-L77 PolarHBondContact O-N 2.85Å; L77-I79 VanDerWaalsContact C-N 3.34Å; L77-I79 PolarHBondContact O-N 3.22Å; L77-A80 PolarHBondContact O-N 2.91Å; L77-L81 WeakPolarHBondContact O-CG 3.48Å; L77-L81 PolarHBondContact O-N 3.12Å; L77-L81 VanDerWaalsContact O-N 3.12Å; L77-H92 HydrophobicContact CD2-CB 4.13Å; L77-I94 HydrophobicContact CB-CD1 4.5Å; L77-I94 HydrophobicContact CD2-CD1 3.97Å; L77-I94 HydrophobicContact CD2-CG1 3.82Å; L77-I94 HydrophobicContact CG-CD1 3.9Å; L77-I94 HydrophobicContact CG-CG1 4.25Å; L77-Y117 HydrophobicContact CD2-CE2 4.37Å
78R97.7Very high97.6Very high127 Ų12768.1 Ų68.148%0.47933%0.329SS..Hα-helixtrans-67-34.8176.4-62.8171.7-174.8165.90.6112.2E18 R74 E75 N76E18-R78 IonicContact OE1-NH2 3.98Å; E18-R78 IonicContact OE2-NH2 2.66Å; R74-R78 PolarHBondContact O-N 3.38Å; E75-R78 WeakPolarHBondContact O-CA 3.04Å; E75-R78 WeakPolarHBondContact O-CB 3.21Å; E75-R78 PolarHBondContact O-N 3.04Å; N76-R78 VanDerWaalsContact C-N 3.33Å; N76-R78 PolarHBondContact O-N 2.88Å
79I97.9Very high97.4Very high29 Ų2968.4 Ų68.415%0.14934%0.34CS..Hα-helixtrans-67-46.1174.6-69.8165.3000110.4E75 N76 L77 L81 R82 Y83E75-I79 HydrophobicContact CG-CD1 3.98Å; E75-I79 HydrophobicContact CG-CG1 4.46Å; E75-I79 WeakPolarHBondContact O-CG1 3.49Å; E75-I79 PolarHBondContact O-N 3.46Å; N76-I79 PolarHBondContact O-N 2.85Å; L77-I79 VanDerWaalsContact C-N 3.34Å; L77-I79 PolarHBondContact O-N 3.22Å; I79-L81 VanDerWaalsContact C-N 3.34Å; I79-L81 PolarHBondContact O-N 2.76Å; I79-R82 VanDerWaalsContact CG1-NH2 3.27Å; I79-R82 WeakPolarHBondContact O-CB 3.33Å; I79-R82 PolarHBondContact O-N 2.88Å; I79-Y83 HydrophobicContact CG2-CD1 4.16Å; I79-Y83 HydrophobicContact CG2-CD2 3.99Å; I79-Y83 HydrophobicContact CG2-CE1 3.69Å; I79-Y83 HydrophobicContact CG2-CE2 3.51Å; I79-Y83 HydrophobicContact CG2-CG 4.29Å; I79-Y83 PolarHBondContact O-N 2.87Å
80A97.8Very high97.3Very high7 Ų768.3 Ų68.36%0.05835%0.345CS..Hα-helixtrans-59.2-44.7-179.700000111.4N76 L77 R82 Y83 Y84 Y117N76-A80 WeakPolarHBondContact O-CB 3.36Å; N76-A80 PolarHBondContact O-N 3.49Å; L77-A80 PolarHBondContact O-N 2.91Å; A80-R82 PolarHBondContact O-N 2.73Å; A80-Y83 PolarHBondContact O-N 3.15Å; A80-Y84 WeakPolarHBondContact O-CD2 3.43Å; A80-Y84 PolarHBondContact O-N 3.14Å; A80-Y117 HydrophobicContact CB-CD1 4.48Å; A80-Y117 HydrophobicContact CB-CD2 4.06Å; A80-Y117 HydrophobicContact CB-CE1 4.03Å; A80-Y117 HydrophobicContact CB-CE2 3.59Å; A80-Y117 HydrophobicContact CB-CG 4.48Å
81L97.8Very high97.2Very high30 Ų3071.2 Ų71.216%0.15737%0.366CS..Hα-helixtrans-51.3-43.4173.7-73176.5000112.4L77 I79 N85 Q86 H92L77-L81 WeakPolarHBondContact O-CG 3.48Å; L77-L81 PolarHBondContact O-N 3.12Å; L77-L81 VanDerWaalsContact O-N 3.12Å; I79-L81 VanDerWaalsContact C-N 3.34Å; I79-L81 PolarHBondContact O-N 2.76Å; L81-N85 WeakPolarHBondContact O-CA 3.34Å; L81-N85 PolarHBondContact O-N 2.94Å; L81-Q86 HydrophobicContact CD2-CB 3.66Å; L81-Q86 PolarHBondContact O-N 3.48Å; L81-H92 WeakPolarHBondContact CD2-CD2 3.28Å; L81-H92 WeakPolarHBondContact CD2-NE2 3.44Å
82R97.7Very high97.3Very high155 Ų15567.1 Ų67.159%0.58535%0.347SS*.Hα-helixtrans-70-41.5178.5-67.2-170.7-65.5-100.65.7112.4I79 A80 Y84 N85I79-R82 VanDerWaalsContact CG1-NH2 3.27Å; I79-R82 WeakPolarHBondContact O-CB 3.33Å; I79-R82 PolarHBondContact O-N 2.88Å; A80-R82 PolarHBondContact O-N 2.73Å; R82-Y84 VanDerWaalsContact C-N 3.28Å; R82-Y84 PolarHBondContact O-N 3.47Å; R82-N85 PolarHBondContact O-N 3.42Å
83Y97.8Very high97.3Very high46 Ų4667 Ų6718%0.1834%0.344CS..Hα-helixtrans-65.4-34.8-179.7-69.6-5.8000112.4I79 A80 Y122 A138 I141 K145I79-Y83 HydrophobicContact CG2-CD1 4.16Å; I79-Y83 HydrophobicContact CG2-CD2 3.99Å; I79-Y83 HydrophobicContact CG2-CE1 3.69Å; I79-Y83 HydrophobicContact CG2-CE2 3.51Å; I79-Y83 HydrophobicContact CG2-CG 4.29Å; I79-Y83 PolarHBondContact O-N 2.87Å; A80-Y83 PolarHBondContact O-N 3.15Å; Y83-Y122 WeakPolarHBondContact CD2-OH 3.45Å; Y83-A138 HydrophobicContact CD2-CB 4.38Å; Y83-I141 HydrophobicContact CD1-CD1 4.15Å; Y83-I141 HydrophobicContact CE1-CD1 4.27Å; Y83-I141 HydrophobicContact CE1-CG2 3.97Å; Y83-I141 HydrophobicContact CE2-CB 4.1Å; Y83-I141 HydrophobicContact CE2-CG2 4.13Å; Y83-I141 HydrophobicContact CG-CD1 4.34Å; Y83-I141 WeakPolarHBondContact OH-CG2 3.42Å; Y83-K145 PolarHBondContact OH-NZ 3.34Å
84Y97.9Very high97.3Very high65 Ų6567.4 Ų67.426%0.25535%0.346SS..THydrogen-bonded Turntrans-96.94.1-179.6-69.5-72.5000114.1A80 R82 Q86 Y117 Y122 D136 A138A80-Y84 WeakPolarHBondContact O-CD2 3.43Å; A80-Y84 PolarHBondContact O-N 3.14Å; R82-Y84 VanDerWaalsContact C-N 3.28Å; R82-Y84 PolarHBondContact O-N 3.47Å; Y84-Q86 PolarHBondContact O-N 3.34Å; Y84-Y117 AromaticContact CD2-CD1 3.65Å; Y84-Y117 HydrophobicContact CD2-CD1 3.65Å; Y84-Y117 AromaticContact CD2-CE1 3.44Å; Y84-Y117 HydrophobicContact CD2-CE1 3.44Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.44Å; Y84-Y117 AromaticContact CE2-CD1 3.4Å; Y84-Y117 HydrophobicContact CE2-CD1 3.4Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.4Å; Y84-Y117 AromaticContact CE2-CE1 3.74Å; Y84-Y117 HydrophobicContact CE2-CE1 3.74Å; Y84-Y117 HydrophobicContact CE2-CG 4.33Å; Y84-Y117 HydrophobicContact CG-CE1 4.25Å; Y84-Y122 HydrophobicContact CE2-CD2 4.32Å; Y84-Y122 AromaticContact CE2-CE2 3.95Å; Y84-Y122 HydrophobicContact CE2-CE2 3.95Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.28Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.39Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.43Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.43Å; Y84-D136 VanDerWaalsContact OH-CG 3.3Å; Y84-D136 PolarHBondContact OH-OD1 3.41Å; Y84-D136 PolarHBondContact OH-OD2 2.75Å; Y84-A138 HydrophobicContact CD1-CB 4.24Å; Y84-A138 HydrophobicContact CD2-CB 4.42Å; Y84-A138 HydrophobicContact CE1-CB 3.67Å; Y84-A138 HydrophobicContact CE2-CB 3.88Å; Y84-A138 VanDerWaalsContact CZ-CB 3.48Å
85N97.3Very high97.4Very high153 Ų15369.1 Ų69.182%0.81836%0.356SS*.THydrogen-bonded Turntrans52.241.2-176.7-55.6-61.7000113.2L81 R82L81-N85 WeakPolarHBondContact O-CA 3.34Å; L81-N85 PolarHBondContact O-N 2.94Å; R82-N85 PolarHBondContact O-N 3.42Å
86Q97.6Very high97.4Very high64 Ų6466 Ų6630%0.29934%0.34SS..  trans-92.5155.2-177.1-71.6165.7-36.900112.2L81 Y84 H92 Y117L81-Q86 HydrophobicContact CD2-CB 3.66Å; L81-Q86 PolarHBondContact O-N 3.48Å; Y84-Q86 PolarHBondContact O-N 3.34Å; Q86-H92 VanDerWaalsContact CD-CE1 3.46Å; Q86-H92 PolarHBondContact NE2-CE1 3.38Å; Q86-Y117 PolarHBondContact OE1-OH 2.86Å
87S95.9Very high97.5Very high82 Ų8264.3 Ų64.357%0.57333%0.33SS*.  trans-76146176.9173.90000112.1A89 G90S87-A89 PolarHBondContact O-N 3.03Å; S87-A89 PolarHBondContact OG-N 3.24Å; S87-G90 PolarHBondContact O-N 3.03Å
88E94.1Very high97.5Very high163 Ų16365 Ų6576%0.76233%0.332SS*.THydrogen-bonded Turntrans-67.7-11.9174.1-61.3-172.117400113.8P14 G90P14-E88 WeakPolarHBondContact CB-O 3.17Å; P14-E88 WeakPolarHBondContact CG-O 3.43Å; E88-G90 VanDerWaalsContact C-N 3.3Å
89A94.5Very high97.5Very high82 Ų8259 Ų5968%0.67831%0.31SS*.THydrogen-bonded Turntrans-76.2-18.3177.700000113.2S87S87-A89 PolarHBondContact O-N 3.03Å; S87-A89 PolarHBondContact OG-N 3.24Å
90G94.8Very high97.6Very high26 Ų2657.7 Ų57.727%0.26830%0.303SS..SBendtrans-77.3140.5-177.800000113.5P14 S87 E88 H92P14-G90 WeakPolarHBondContact CG-O 3.5Å; S87-G90 PolarHBondContact O-N 3.03Å; E88-G90 VanDerWaalsContact C-N 3.3Å; G90-H92 PolarHBondContact O-CD2 2.76Å
91S97.6Very high97.6Very high73 Ų7358.6 Ų58.651%0.5131%0.307SS..  trans-82.9130.4164.5-175.20000108.8S12S12-S91 PolarHBondContact O-OG 3.4Å
92H98.4Very high97.6Very high16 Ų1657.3 Ų57.37%0.07430%0.3CS..  trans-133.8154.1-176-64.5-78.9000110.6M11 S12 L77 L81 Q86 G90 Y117 D118M11-H92 WeakPolarHBondContact CA-O 3.28Å; S12-H92 PolarHBondContact N-O 3.21Å; S12-H92 PolarHBondContact OG-N 2.93Å; S12-H92 PolarHBondContact OG-O 3.12Å; L77-H92 HydrophobicContact CD2-CB 4.13Å; L81-H92 WeakPolarHBondContact CD2-CD2 3.28Å; L81-H92 WeakPolarHBondContact CD2-NE2 3.44Å; Q86-H92 VanDerWaalsContact CD-CE1 3.46Å; Q86-H92 PolarHBondContact NE2-CE1 3.38Å; G90-H92 PolarHBondContact O-CD2 2.76Å; H92-Y117 HydrophobicContact CB-CE2 3.88Å; H92-Y117 VanDerWaalsContact CG-OH 3.24Å; H92-Y117 AromaticContact ND1-CZ 3.84Å; H92-Y117 PolarHBondContact ND1-OH 3.23Å; H92-D118 WeakPolarHBondContact CA-OD1 3.12Å; H92-D118 WeakPolarHBondContact CB-OD1 3.4Å; H92-D118 IonicContact CE1-OD2 2.81Å; H92-D118 IonicContact CG-OD1 2.64Å; H92-D118 IonicContact CG-OD2 3.82Å; H92-D118 IonicContact ND1-OD1 2.73Å; H92-D118 IonicContact ND1-OD2 3.59Å; H92-D118 PolarHBondContact ND1-OD2 3.03Å
93I98.6Very high97.5Very high54 Ų5450.4 Ų50.428%0.27728%0.277SS..EExtended strand (participates in β ladder)trans-128.3130.2-176-56.9177.5000109.6T9 A10 M11 Q95 Y117 D118T9-I93 HydrophobicContact CG2-CG2 3.91Å; A10-I93 CarbonylContact O-C 3.49Å; A10-I93 WeakPolarHBondContact O-CA 2.88Å; M11-I93 HydrophobicContact CB-CG1 4.29Å; M11-I93 HydrophobicContact CG-CD1 4.46Å; M11-I93 HydrophobicContact CG-CG1 3.99Å; M11-I93 HydrophobicContact SD-CD1 4.34Å; I93-Q95 HydrophobicContact CG2-CG 3.87Å; I93-Y117 WeakPolarHBondContact O-CA 3.44Å; I93-Y117 WeakPolarHBondContact O-CD2 3.2Å; I93-D118 PolarHBondContact N-OD1 3.43Å; I93-D118 PolarHBondContact O-N 3.08Å
94I98.8Very high97.3Very high17 Ų1754.1 Ų54.19%0.08731%0.307CS..EExtended strand (participates in β ladder)trans-107.2132.7162-67173.3000108.1A10 Y73 N76 L77 A116 Y117A10-I94 PolarHBondContact N-O 3.07Å; A10-I94 PolarHBondContact O-N 2.95Å; Y73-I94 HydrophobicContact CD1-CB 4.19Å; Y73-I94 HydrophobicContact CD1-CG2 3.65Å; Y73-I94 HydrophobicContact CE1-CG2 3.57Å; N76-I94 HydrophobicContact CB-CD1 3.69Å; L77-I94 HydrophobicContact CB-CD1 4.5Å; L77-I94 HydrophobicContact CD2-CD1 3.97Å; L77-I94 HydrophobicContact CD2-CG1 3.82Å; L77-I94 HydrophobicContact CG-CD1 3.9Å; L77-I94 HydrophobicContact CG-CG1 4.25Å; I94-A116 WeakPolarHBondContact CA-O 3.08Å; I94-Y117 HydrophobicContact CG1-CD2 3.64Å; I94-Y117 HydrophobicContact CG1-CE2 4.13Å
95Q98.8Very high97Very high83 Ų8355.9 Ų55.939%0.38832%0.321SS..EExtended strand (participates in β ladder)trans-118.6146.6171.4-63.8171.5-91.800109.8Y8 T9 I93 S115 A116Y8-Q95 CarbonylContact O-C 3.55Å; Y8-Q95 VanDerWaalsContact O-CA 3.25Å; Y8-Q95 WeakPolarHBondContact O-CA 3.26Å; T9-Q95 HydrophobicContact CG2-CG 4.35Å; I93-Q95 HydrophobicContact CG2-CG 3.87Å; Q95-S115 CarbonylContact O-C 3.56Å; Q95-S115 WeakPolarHBondContact O-CA 3.39Å; Q95-A116 HydrophobicContact CB-CB 4.37Å; Q95-A116 PolarHBondContact N-O 3.28Å; Q95-A116 PolarHBondContact O-N 2.78Å
96R98.7Very high96.7Very high50 Ų5049.5 Ų49.519%0.18929%0.291CS..EExtended strand (participates in β ladder)trans-136.1136.6168.8-177.6-179.3175.9-170.9-5.3110F7 Y8 Y73 Y98 D113 Q114F7-R96 WeakPolarHBondContact CA-O 3.47Å; Y8-R96 PolarHBondContact N-O 2.89Å; Y8-R96 PolarHBondContact O-N 3.31Å; Y73-R96 VanDerWaalsContact OH-CB 3.26Å; Y73-R96 WeakPolarHBondContact OH-CB 3.43Å; Y73-R96 WeakPolarHBondContact OH-CD 3.27Å; R96-Y98 HydrophobicContact CG-CD1 4.3Å; R96-D113 IonicContact CZ-OD1 3.42Å; R96-D113 IonicContact NE-OD1 3.5Å; R96-D113 PolarHBondContact NE-OD1 3.46Å; R96-D113 IonicContact NE-OD2 3.71Å; R96-D113 IonicContact NH2-OD1 3.32Å; R96-D113 PolarHBondContact NH2-OD1 2.9Å; R96-D113 IonicContact NH2-OD2 2.97Å; R96-Q114 CarbonylContact C-O 3.55Å; R96-Q114 VanDerWaalsContact CA-O 3.28Å; R96-Q114 WeakPolarHBondContact CA-O 3.36Å; R96-Q114 WeakPolarHBondContact CG-O 3.35Å
97M98.8Very high96.6Very high21 Ų2154.7 Ų54.710%0.10331%0.308CS..EExtended strand (participates in β ladder)trans-121.2129.6168-174.6-76.4-68.400108.2R5 Y6 F7 H112 Q114R5-M97 HydrophobicContact CG-SD 4.47Å; R5-M97 PolarHBondContact NH1-SD 2.83Å; Y6-M97 WeakPolarHBondContact O-CA 3.28Å; F7-M97 HydrophobicContact CD1-CB 4.01Å; F7-M97 HydrophobicContact CD1-CG 3.64Å; F7-M97 HydrophobicContact CE1-CB 4.14Å; F7-M97 HydrophobicContact CE1-CG 3.34Å; F7-M97 HydrophobicContact CZ-CG 4.02Å; M97-H112 HydrophobicContact CE-CB 3.89Å; M97-H112 HydrophobicContact SD-CB 4.13Å; M97-Q114 HydrophobicContact CB-CG 4.25Å; M97-Q114 HydrophobicContact CE-CG 3.99Å; M97-Q114 VanDerWaalsContact CE-NE2 3.28Å; M97-Q114 PolarHBondContact N-O 3.18Å; M97-Q114 PolarHBondContact O-N 3.01Å
98Y98.8Very high96.7Very high23 Ų2353.3 Ų53.39%0.0929%0.294CS..EExtended strand (participates in β ladder)trans-146.4157.3172.572.6-83.8000110.9R5 Y6 Y8 R96 H112 D113 Y158R5-Y98 WeakPolarHBondContact CA-O 3.45Å; Y6-Y98 VanDerWaalsContact CB-CE1 3.43Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.48Å; Y6-Y98 AromaticContact CD2-CE2 3.98Å; Y6-Y98 HydrophobicContact CD2-CE2 3.98Å; Y6-Y98 AromaticContact CD2-CZ 3.87Å; Y6-Y98 HydrophobicContact CG-CE1 4.27Å; Y6-Y98 HydrophobicContact CG-CE2 4.37Å; Y6-Y98 AromaticContact CG-CZ 3.82Å; Y6-Y98 PolarHBondContact N-O 3.22Å; Y6-Y98 PolarHBondContact O-N 3.12Å; Y6-Y98 VanDerWaalsContact O-N 3.14Å; Y8-Y98 HydrophobicContact CD2-CE1 4.34Å; Y8-Y98 AromaticContact CE1-CE1 3.92Å; Y8-Y98 HydrophobicContact CE1-CE1 3.92Å; Y8-Y98 AromaticContact CE2-CE1 3.69Å; Y8-Y98 HydrophobicContact CE2-CE1 3.69Å; Y8-Y98 AromaticContact CZ-CE1 3.45Å; Y8-Y98 VanDerWaalsContact CZ-CE1 3.45Å; Y8-Y98 AromaticContact CZ-CZ 3.92Å; Y8-Y98 PolarHBondContact OH-OH 3.43Å; R96-Y98 HydrophobicContact CG-CD1 4.3Å; Y98-H112 CarbonylContact C-O 3.59Å; Y98-H112 WeakPolarHBondContact CA-O 3.37Å; Y98-H112 VanDerWaalsContact CB-O 3.27Å; Y98-H112 WeakPolarHBondContact CB-O 3.4Å; Y98-D113 WeakPolarHBondContact CB-OD1 3.37Å; Y98-Y158 AromaticContact CD2-CE1 3.82Å; Y98-Y158 HydrophobicContact CD2-CE1 3.82Å; Y98-Y158 AromaticContact CE2-CE1 3.66Å; Y98-Y158 HydrophobicContact CE2-CE1 3.66Å; Y98-Y158 AromaticContact CE2-CZ 3.94Å
99G98.8Very high96.9Very high1 Ų151.5 Ų51.51%0.0129%0.289CS..EExtended strand (participates in β ladder)trans157.7-173.8-177.900000113.9M4 H112 L159M4-G99 CarbonylContact O-C 3.59Å; M4-G99 WeakPolarHBondContact O-CA 3.22Å; G99-H112 PolarHBondContact N-O 2.86Å; G99-H112 PolarHBondContact O-N 3.22Å; G99-L159 WeakPolarHBondContact O-CD2 3.44Å
100C98.8Very high97Very high0 Ų052.4 Ų52.40%028%0.275CS..EExtended strand (participates in β ladder)trans-132.3146.5-173.850.60000111S3 M4 L108 R110 C163S3-C100 WeakPolarHBondContact CA-O 3.09Å; M4-C100 PolarHBondContact N-O 3.02Å; M4-C100 PolarHBondContact O-N 3.3Å; C100-L108 HydrophobicContact CB-CD1 3.63Å; C100-R110 WeakPolarHBondContact CA-O 3.29Å; C100-C163 HydrophobicContact CB-CB 3.91Å; C100-C163 WeakPolarHBondContact CB-SG 3.36Å; C100-C163 PolarHBondContact N-SG 3.47Å; C100-C163 WeakPolarHBondContact SG-CB 3.47Å; C100-C163 PolarHBondContact SG-O 3.24Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.01Å
101D98.6Very high97.2Very high27 Ų2751.4 Ų51.414%0.14426%0.264CS..EExtended strand (participates in β ladder)trans-110.6134.8172.8-55-27.3000108.9H2 S3 R5 L109 R110 H112H2-D101 CarbonylContact O-C 3.5Å; H2-D101 WeakPolarHBondContact O-CA 3.36Å; S3-D101 VanDerWaalsContact CB-OD1 3.22Å; S3-D101 WeakPolarHBondContact CB-OD1 3.25Å; R5-D101 IonicContact CZ-OD1 3.81Å; R5-D101 IonicContact NE-OD1 2.74Å; R5-D101 PolarHBondContact NE-OD1 3.42Å; R5-D101 VanDerWaalsContact NH2-CG 3.35Å; R5-D101 IonicContact NH2-OD1 3.04Å; R5-D101 PolarHBondContact NH2-OD1 3.4Å; R5-D101 IonicContact NH2-OD2 2.7Å; R5-D101 PolarHBondContact NH2-OD2 2.66Å; R5-D101 VanDerWaalsContact NH2-OD2 3.12Å; D101-L109 HydrophobicContact CB-CB 4.49Å; D101-L109 PolarHBondContact O-N 2.9Å; D101-R110 HydrophobicContact CB-CB 4.45Å; D101-R110 PolarHBondContact N-O 3.36Å; D101-R110 PolarHBondContact O-N 3.06Å; D101-H112 IonicContact OD1-NE2 3.01Å; D101-H112 IonicContact OD2-CD2 3.62Å; D101-H112 IonicContact OD2-CE1 2.93Å; D101-H112 IonicContact OD2-NE2 3.4Å; D101-H112 PolarHBondContact OD2-NE2 3.21Å
102L98.1Very high97.3Very high3 Ų349 Ų492%0.01625%0.245CC..EExtended strand (participates in β ladder)trans-107.1135.4175.1-55.8-177.1000110.9S1 H2 R107 V164 L167 R168S1-L102 VanDerWaalsContact CA-O 3.28Å; S1-L102 WeakPolarHBondContact CA-O 3.28Å; S1-L102 VanDerWaalsContact CB-O 3.27Å; S1-L102 WeakPolarHBondContact CB-O 3.47Å; H2-L102 PolarHBondContact N-O 3.41Å; H2-L102 VanDerWaalsContact N-O 3.12Å; H2-L102 PolarHBondContact O-N 2.87Å; L102-R107 VanDerWaalsContact CA-O 3.26Å; L102-R107 WeakPolarHBondContact CA-O 3.39Å; L102-V164 HydrophobicContact CD2-CB 4.17Å; L102-V164 HydrophobicContact CD2-CG1 3.79Å; L102-V164 HydrophobicContact CD2-CG2 3.78Å; L102-L167 HydrophobicContact CD1-CB 4.28Å; L102-L167 HydrophobicContact CD1-CD2 3.65Å; L102-L167 HydrophobicContact CD1-CG 3.73Å; L102-L167 HydrophobicContact CG-CD2 3.58Å; L102-L167 HydrophobicContact CG-CG 4.25Å; L102-R168 HydrophobicContact CD1-CG 3.95Å
103G95.8Very high97.3Very high9 Ų948.4 Ų48.49%0.09324%0.242CC..  trans-67.5174.1167.200000112.3D105 G106 R107G103-D105 PolarHBondContact O-N 3.29Å; G103-G106 WeakPolarHBondContact O-CA 3.41Å; G103-G106 PolarHBondContact O-N 3.45Å; G103-R107 PolarHBondContact N-O 3.29Å
104P91.9Very high97.3Very high124 Ų12449.8 Ų49.881%0.80525%0.247SC*.THydrogen-bonded Turntrans-60.2-25.1176.2-23.134.2000114G106P104-G106 PolarHBondContact O-N 3.32Å
105D92.6Very high97.3Very high103 Ų10349.7 Ų49.755%0.55125%0.248SC*.THydrogen-bonded Turntrans-80.22.4174.668.3-13.2000113.1G103 R107G103-D105 PolarHBondContact O-N 3.29Å; D105-R107 PolarHBondContact O-N 3Å; D105-R107 WeakPolarHBondContact OD1-CB 3.47Å; D105-R107 PolarHBondContact OD1-N 3.49Å; D105-R107 WeakPolarHBondContact OD2-CD 3.45Å; D105-R107 WeakPolarHBondContact OD2-CG 3.34Å; D105-R107 IonicContact OD2-NE 3.51Å
106G91.3Very high97.3Very high19 Ų1946.5 Ų46.520%0.19624%0.236CC..SBendtrans728.4-178.700000114G103 P104 R168G103-G106 WeakPolarHBondContact O-CA 3.41Å; G103-G106 PolarHBondContact O-N 3.45Å; P104-G106 PolarHBondContact O-N 3.32Å; G106-R168 VanDerWaalsContact O-CZ 3.25Å; G106-R168 PolarHBondContact O-NE 3.17Å; G106-R168 PolarHBondContact O-NH2 2.8Å
107R95.6Very high97.3Very high172 Ų17244.9 Ų44.965%0.64923%0.23SC*.SBendtrans-86.1155.7176.4-63.1-173.5-179.3167.1-2.4111.1L102 G103 D105 L109L102-R107 VanDerWaalsContact CA-O 3.26Å; L102-R107 WeakPolarHBondContact CA-O 3.39Å; G103-R107 PolarHBondContact N-O 3.29Å; D105-R107 PolarHBondContact O-N 3Å; D105-R107 WeakPolarHBondContact OD1-CB 3.47Å; D105-R107 PolarHBondContact OD1-N 3.49Å; D105-R107 WeakPolarHBondContact OD2-CD 3.45Å; D105-R107 WeakPolarHBondContact OD2-CG 3.34Å; D105-R107 IonicContact OD2-NE 3.51Å; R107-L109 PolarHBondContact O-N 3.35Å; R107-L109 VanDerWaalsContact O-N 3.14Å
108L97.9Very high97.3Very high53 Ų5346.8 Ų46.828%0.27724%0.241SC..EExtended strand (participates in β ladder)trans-58.7119.4174.9-177.171.8000109.2C100 R110 L129 E160 V164C100-L108 HydrophobicContact CB-CD1 3.63Å; L108-R110 WeakPolarHBondContact CD1-O 3.5Å; L108-L129 HydrophobicContact CD2-CD1 4.26Å; L108-E160 HydrophobicContact CD2-CB 4.37Å; L108-E160 HydrophobicContact CD2-CG 3.64Å; L108-V164 HydrophobicContact CB-CG2 3.98Å; L108-V164 HydrophobicContact CD1-CG2 3.91Å; L108-V164 HydrophobicContact CG-CG2 4.48Å
109L97.6Very high97.2Very high125 Ų12548.6 Ų48.665%0.65427%0.266SS*.EExtended strand (participates in β ladder)trans-90.2-45.1170.8-179.763.3000110.2D101 R107D101-L109 HydrophobicContact CB-CB 4.49Å; D101-L109 PolarHBondContact O-N 2.9Å; R107-L109 PolarHBondContact O-N 3.35Å; R107-L109 VanDerWaalsContact O-N 3.14Å
110R97.4Very high97.2Very high102 Ų10256.2 Ų56.239%0.38530%0.299SS..EExtended strand (participates in β ladder)trans-156.6141.4-177.2-173171.9174.3144.47.1111.5C100 D101 L108 H112 E127C100-R110 WeakPolarHBondContact CA-O 3.29Å; D101-R110 HydrophobicContact CB-CB 4.45Å; D101-R110 PolarHBondContact N-O 3.36Å; D101-R110 PolarHBondContact O-N 3.06Å; L108-R110 WeakPolarHBondContact CD1-O 3.5Å; R110-H112 WeakPolarHBondContact CD-CE1 3.29Å; R110-H112 PolarHBondContact NE-CE1 3.49Å; R110-E127 IonicContact CZ-OE1 3.6Å; R110-E127 IonicContact NE-OE1 3.42Å; R110-E127 VanDerWaalsContact NH1-CD 3.3Å; R110-E127 IonicContact NH1-OE1 2.68Å; R110-E127 PolarHBondContact NH1-OE1 3.05Å; R110-E127 IonicContact NH1-OE2 3.88Å; R110-E127 VanDerWaalsContact NH2-CG 3.28Å; R110-E127 IonicContact NH2-OE1 3.62Å; R110-E127 PolarHBondContact NH2-OE1 3.17Å
111G98.4Very high97.2Very high4 Ų462.4 Ų62.44%0.04133%0.332CS..EExtended strand (participates in β ladder)trans-105.7152167.700000111
112H98.6Very high97.2Very high23 Ų2362.4 Ų62.411%0.10633%0.33CS..EExtended strand (participates in β ladder)trans-134.3138-179.6-56.3-94.3000110.1R5 M97 Y98 G99 D101 R110R5-H112 PolarHBondContact NH2-NE2 3.42Å; R5-H112 VanDerWaalsContact NH2-NE2 3.15Å; M97-H112 HydrophobicContact CE-CB 3.89Å; M97-H112 HydrophobicContact SD-CB 4.13Å; Y98-H112 CarbonylContact C-O 3.59Å; Y98-H112 WeakPolarHBondContact CA-O 3.37Å; Y98-H112 VanDerWaalsContact CB-O 3.27Å; Y98-H112 WeakPolarHBondContact CB-O 3.4Å; G99-H112 PolarHBondContact N-O 2.86Å; G99-H112 PolarHBondContact O-N 3.22Å; D101-H112 IonicContact OD1-NE2 3.01Å; D101-H112 IonicContact OD2-CD2 3.62Å; D101-H112 IonicContact OD2-CE1 2.93Å; D101-H112 IonicContact OD2-NE2 3.4Å; D101-H112 PolarHBondContact OD2-NE2 3.21Å; R110-H112 WeakPolarHBondContact CD-CE1 3.29Å; R110-H112 PolarHBondContact NE-CE1 3.49Å
113D98.8Very high97.3Very high3 Ų362.4 Ų62.42%0.01633%0.33CS..EExtended strand (participates in β ladder)trans-152111.8162.5-17281.6000108.5R96 Y98 L125 L155R96-D113 IonicContact CZ-OD1 3.42Å; R96-D113 IonicContact NE-OD1 3.5Å; R96-D113 PolarHBondContact NE-OD1 3.46Å; R96-D113 IonicContact NE-OD2 3.71Å; R96-D113 IonicContact NH2-OD1 3.32Å; R96-D113 PolarHBondContact NH2-OD1 2.9Å; R96-D113 IonicContact NH2-OD2 2.97Å; Y98-D113 WeakPolarHBondContact CB-OD1 3.37Å; D113-L125 HydrophobicContact CB-CB 3.94Å; D113-L125 HydrophobicContact CB-CD2 4.12Å; D113-L125 WeakPolarHBondContact O-CB 3.25Å; D113-L125 PolarHBondContact O-N 2.8Å; D113-L155 HydrophobicContact CB-CD1 4.18Å
114Q98.8Very high97.4Very high84 Ų8463.3 Ų63.339%0.39334%0.337SS..EExtended strand (participates in β ladder)trans-143.7145.3-178.265.9-167.820.100111.1R96 M97 I123 A124R96-Q114 CarbonylContact C-O 3.55Å; R96-Q114 VanDerWaalsContact CA-O 3.28Å; R96-Q114 WeakPolarHBondContact CA-O 3.36Å; R96-Q114 WeakPolarHBondContact CG-O 3.35Å; M97-Q114 HydrophobicContact CB-CG 4.25Å; M97-Q114 HydrophobicContact CE-CG 3.99Å; M97-Q114 VanDerWaalsContact CE-NE2 3.28Å; M97-Q114 PolarHBondContact N-O 3.18Å; M97-Q114 PolarHBondContact O-N 3.01Å; Q114-I123 WeakPolarHBondContact CA-O 3.4Å; Q114-A124 HydrophobicContact CB-CB 3.86Å
115S98.8Very high97.7Very high15 Ų1558 Ų5811%0.10530%0.302CS..EExtended strand (participates in β ladder)trans-126.6147.6179.7-56.70000111Q95 Y122 I123Q95-S115 CarbonylContact O-C 3.56Å; Q95-S115 WeakPolarHBondContact O-CA 3.39Å; S115-Y122 WeakPolarHBondContact O-CA 3.42Å; S115-Y122 WeakPolarHBondContact O-CB 3.4Å; S115-Y122 PolarHBondContact O-N 3.33Å; S115-I123 PolarHBondContact N-O 3.48Å; S115-I123 PolarHBondContact O-N 2.93Å
116A98.9Very high98Very high16 Ų1655.2 Ų55.213%0.13229%0.287CS..EExtended strand (participates in β ladder)trans-126.2150.4175.900000110.4I94 Q95 K120I94-A116 WeakPolarHBondContact CA-O 3.08Å; Q95-A116 HydrophobicContact CB-CB 4.37Å; Q95-A116 PolarHBondContact N-O 3.28Å; Q95-A116 PolarHBondContact O-N 2.78Å; A116-K120 CarbonylContact C-O 3.56Å; A116-K120 WeakPolarHBondContact CA-O 3.33Å; A116-K120 WeakPolarHBondContact CB-O 3.44Å
117Y98.8Very high98.3Very high15 Ų1560.5 Ų60.56%0.05931%0.306CS..EExtended strand (participates in β ladder)trans-125.4126.7174.2-174.7-121.5000109.9L77 A80 Y84 Q86 H92 I93 I94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.37Å; A80-Y117 HydrophobicContact CB-CD1 4.48Å; A80-Y117 HydrophobicContact CB-CD2 4.06Å; A80-Y117 HydrophobicContact CB-CE1 4.03Å; A80-Y117 HydrophobicContact CB-CE2 3.59Å; A80-Y117 HydrophobicContact CB-CG 4.48Å; Y84-Y117 AromaticContact CD2-CD1 3.65Å; Y84-Y117 HydrophobicContact CD2-CD1 3.65Å; Y84-Y117 AromaticContact CD2-CE1 3.44Å; Y84-Y117 HydrophobicContact CD2-CE1 3.44Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.44Å; Y84-Y117 AromaticContact CE2-CD1 3.4Å; Y84-Y117 HydrophobicContact CE2-CD1 3.4Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.4Å; Y84-Y117 AromaticContact CE2-CE1 3.74Å; Y84-Y117 HydrophobicContact CE2-CE1 3.74Å; Y84-Y117 HydrophobicContact CE2-CG 4.33Å; Y84-Y117 HydrophobicContact CG-CE1 4.25Å; Q86-Y117 PolarHBondContact OE1-OH 2.86Å; H92-Y117 HydrophobicContact CB-CE2 3.88Å; H92-Y117 VanDerWaalsContact CG-OH 3.24Å; H92-Y117 AromaticContact ND1-CZ 3.84Å; H92-Y117 PolarHBondContact ND1-OH 3.23Å; I93-Y117 WeakPolarHBondContact O-CA 3.44Å; I93-Y117 WeakPolarHBondContact O-CD2 3.2Å; I94-Y117 HydrophobicContact CG1-CD2 3.64Å; I94-Y117 HydrophobicContact CG1-CE2 4.13Å; Y117-G119 PolarHBondContact O-N 3.47Å; Y117-K120 PolarHBondContact N-O 2.8Å; Y117-K120 PolarHBondContact O-N 3.28Å
118D98.4Very high98.5Very high62 Ų6256.1 Ų56.133%0.33230%0.296SS..THydrogen-bonded Turntrans48.641.1-175.8-65.5-21.1000113.5H92 I93 K120H92-D118 WeakPolarHBondContact CA-OD1 3.12Å; H92-D118 WeakPolarHBondContact CB-OD1 3.4Å; H92-D118 IonicContact CE1-OD2 2.81Å; H92-D118 IonicContact CG-OD1 2.64Å; H92-D118 IonicContact CG-OD2 3.82Å; H92-D118 IonicContact ND1-OD1 2.73Å; H92-D118 IonicContact ND1-OD2 3.59Å; H92-D118 PolarHBondContact ND1-OD2 3.03Å; I93-D118 PolarHBondContact N-OD1 3.43Å; I93-D118 PolarHBondContact O-N 3.08Å; D118-K120 VanDerWaalsContact C-N 3.3Å; D118-K120 PolarHBondContact O-N 2.98Å
119G97.9Very high98.5Very high60 Ų6054 Ų5462%0.61929%0.285SS*.THydrogen-bonded Turntrans78.64.9177.500000115.3Y117Y117-G119 PolarHBondContact O-N 3.47Å
120K98.6Very high98.5Very high162 Ų16251.5 Ų51.570%0.70428%0.277SS*.EExtended strand (participates in β ladder)trans-111.2144.8175.6-62.6-178.8-178.2178.80110.8A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.56Å; A116-K120 WeakPolarHBondContact CA-O 3.33Å; A116-K120 WeakPolarHBondContact CB-O 3.44Å; Y117-K120 PolarHBondContact N-O 2.8Å; Y117-K120 PolarHBondContact O-N 3.28Å; D118-K120 VanDerWaalsContact C-N 3.3Å; D118-K120 PolarHBondContact O-N 2.98Å; K120-Y122 PolarHBondContact O-N 3.37Å
121D98.8Very high98.5Very high130 Ų13048.5 Ų48.570%0.69527%0.272SS*.EExtended strand (participates in β ladder)trans-52.9136173.9-69-19.9000110.6A135D121-A135 HydrophobicContact CB-CB 4.45Å; D121-A135 WeakPolarHBondContact O-CB 3.48Å
122Y98.8Very high98.6Very high26 Ų2648.9 Ų48.910%0.10227%0.272CS..EExtended strand (participates in β ladder)trans-114.1-61.7179.8-179.2-104.2000110.1Y83 Y84 S115 K120 A135 A138 A139 T142Y83-Y122 WeakPolarHBondContact CD2-OH 3.45Å; Y84-Y122 HydrophobicContact CE2-CD2 4.32Å; Y84-Y122 AromaticContact CE2-CE2 3.95Å; Y84-Y122 HydrophobicContact CE2-CE2 3.95Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.28Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.39Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.43Å; S115-Y122 WeakPolarHBondContact O-CA 3.42Å; S115-Y122 WeakPolarHBondContact O-CB 3.4Å; S115-Y122 PolarHBondContact O-N 3.33Å; K120-Y122 PolarHBondContact O-N 3.37Å; Y122-A135 WeakPolarHBondContact O-CB 3.29Å; Y122-A135 PolarHBondContact O-N 2.85Å; Y122-A138 HydrophobicContact CE2-CB 4.4Å; Y122-A138 PolarHBondContact OH-O 2.87Å; Y122-A139 HydrophobicContact CD1-CB 4.38Å; Y122-A139 HydrophobicContact CD2-CB 3.93Å; Y122-A139 HydrophobicContact CE1-CB 4.26Å; Y122-A139 HydrophobicContact CE2-CB 3.82Å; Y122-A139 HydrophobicContact CG-CB 4.21Å; Y122-A139 WeakPolarHBondContact O-CB 3.28Å; Y122-T142 HydrophobicContact CE1-CG2 4.26Å; Y122-T142 PolarHBondContact OH-OG1 2.86Å
123I98.8Very high98.6Very high4 Ų451.5 Ų51.52%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-150.3141.3179.2-160171.8000110.4Q114 S115 W132 T133 T142 Q143 W146Q114-I123 WeakPolarHBondContact CA-O 3.4Å; S115-I123 PolarHBondContact N-O 3.48Å; S115-I123 PolarHBondContact O-N 2.93Å; I123-W132 HydrophobicContact CD1-CB 4.36Å; I123-W132 HydrophobicContact CD1-CD2 4.4Å; I123-W132 HydrophobicContact CD1-CE3 4.17Å; I123-W132 HydrophobicContact CD1-CG 4.5Å; I123-W132 HydrophobicContact CG1-CB 4.42Å; I123-W132 HydrophobicContact CG1-CE3 4.02Å; I123-T133 WeakPolarHBondContact CA-O 3.11Å; I123-T142 HydrophobicContact CD1-CG2 4.09Å; I123-Q143 HydrophobicContact CD1-CB 3.95Å; I123-W146 HydrophobicContact CD1-CE3 4.06Å; I123-W146 HydrophobicContact CD1-CZ3 4.3Å; I123-W146 HydrophobicContact CG2-CH2 4.07Å; I123-W146 HydrophobicContact CG2-CZ3 3.75Å
124A98.9Very high98.6Very high28 Ų2852.3 Ų52.323%0.23130%0.297CS..EExtended strand (participates in β ladder)trans-134138.517800000111.4Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.86Å; A124-W132 WeakPolarHBondContact O-CA 3.43Å; A124-T133 PolarHBondContact N-O 2.89Å; A124-T133 PolarHBondContact O-N 2.84Å
125L98.9Very high98.6Very high13 Ų1351.2 Ų51.27%0.06830%0.303CS..EExtended strand (participates in β ladder)trans-72.1125.6167.7-17765.5000108.1D113 L129 W132 A152 L155 L159D113-L125 HydrophobicContact CB-CB 3.94Å; D113-L125 HydrophobicContact CB-CD2 4.12Å; D113-L125 WeakPolarHBondContact O-CB 3.25Å; D113-L125 PolarHBondContact O-N 2.8Å; L125-L129 HydrophobicContact CD2-CD2 3.83Å; L125-L129 HydrophobicContact CG-CD2 4.29Å; L125-W132 HydrophobicContact CB-CE3 4.03Å; L125-W132 HydrophobicContact CB-CH2 4.06Å; L125-W132 HydrophobicContact CB-CZ3 3.61Å; L125-W132 HydrophobicContact CD1-CD2 4.3Å; L125-W132 HydrophobicContact CD1-CE3 4.35Å; L125-W132 HydrophobicContact CD1-CH2 4.08Å; L125-W132 HydrophobicContact CD1-CZ2 4Å; L125-W132 HydrophobicContact CD1-CZ3 4.23Å; L125-W132 HydrophobicContact CG-CZ3 4.49Å; L125-A152 HydrophobicContact CD1-CB 3.93Å; L125-L155 HydrophobicContact CD2-CB 4.06Å; L125-L155 HydrophobicContact CD2-CD1 4.3Å; L125-L159 HydrophobicContact CD2-CD1 3.96Å
126N98.8Very high98.5Very high44 Ų4453 Ų5324%0.23531%0.311CS..  trans-69.6162.9179.8-67.5-28.5000111.2D128 L129 S131 T133N126-D128 PolarHBondContact O-N 3.31Å; N126-L129 PolarHBondContact O-N 3.19Å; N126-S131 WeakPolarHBondContact CB-O 3.4Å; N126-S131 WeakPolarHBondContact CB-OG 3.36Å; N126-S131 PolarHBondContact N-O 2.86Å; N126-S131 PolarHBondContact ND2-OG 3.48Å; N126-T133 WeakPolarHBondContact OD1-CB 3.24Å; N126-T133 PolarHBondContact OD1-OG1 3.05Å
127E97.9Very high98.5Very high129 Ų12957.5 Ų57.560%0.60334%0.337SS*.THydrogen-bonded Turntrans-58.8-22.6-178.6-67.5-178.7-163.800113.6R110 L129R110-E127 IonicContact CZ-OE1 3.6Å; R110-E127 IonicContact NE-OE1 3.42Å; R110-E127 VanDerWaalsContact NH1-CD 3.3Å; R110-E127 IonicContact NH1-OE1 2.68Å; R110-E127 PolarHBondContact NH1-OE1 3.05Å; R110-E127 IonicContact NH1-OE2 3.88Å; R110-E127 VanDerWaalsContact NH2-CG 3.28Å; R110-E127 IonicContact NH2-OE1 3.62Å; R110-E127 PolarHBondContact NH2-OE1 3.17Å; E127-L129 PolarHBondContact O-N 3.31Å
128D97.9Very high98.5Very high80 Ų8057 Ų5743%0.42834%0.336SS..THydrogen-bonded Turntrans-70.5-8.3174.66823.2000114.1N126 S130 S131N126-D128 PolarHBondContact O-N 3.31Å; D128-S130 PolarHBondContact O-N 3.03Å; D128-S130 WeakPolarHBondContact OD1-CA 3.39Å; D128-S130 PolarHBondContact OD1-N 2.84Å; D128-S130 PolarHBondContact OD1-OG 3.18Å; D128-S130 PolarHBondContact OD2-OG 2.75Å; D128-S131 VanDerWaalsContact CG-OG 3.29Å; D128-S131 PolarHBondContact OD1-N 3.41Å; D128-S131 PolarHBondContact OD1-OG 2.92Å; D128-S131 WeakPolarHBondContact OD2-CB 3.38Å; D128-S131 PolarHBondContact OD2-OG 3.42Å
129L98.3Very high98.5Very high9 Ų954 Ų545%0.04732%0.32CS..SBendtrans53.829.6-177-51.7-177.8000113.9L108 L125 N126 E127 R156 L159 E160L108-L129 HydrophobicContact CD2-CD1 4.26Å; L125-L129 HydrophobicContact CD2-CD2 3.83Å; L125-L129 HydrophobicContact CG-CD2 4.29Å; N126-L129 PolarHBondContact O-N 3.19Å; E127-L129 PolarHBondContact O-N 3.31Å; L129-R156 HydrophobicContact CB-CB 4.07Å; L129-R156 HydrophobicContact CB-CG 3.95Å; L129-R156 HydrophobicContact CD1-CG 4.34Å; L129-L159 HydrophobicContact CD1-CB 4.49Å; L129-L159 HydrophobicContact CD2-CD1 3.96Å; L129-E160 HydrophobicContact CD1-CG 4.21Å
130S98.1Very high98.5Very high72 Ų7254.8 Ų54.850%0.50331%0.308SS..SBendtrans-139.9-24.9-175.268.60000113.6D128 A152D128-S130 PolarHBondContact O-N 3.03Å; D128-S130 WeakPolarHBondContact OD1-CA 3.39Å; D128-S130 PolarHBondContact OD1-N 2.84Å; D128-S130 PolarHBondContact OD1-OG 3.18Å; D128-S130 PolarHBondContact OD2-OG 2.75Å; S130-A152 WeakPolarHBondContact O-CB 3.4Å
131S98.3Very high98.5Very high39 Ų3950 Ų5027%0.27329%0.289SS..  trans-122.1164.1-17871.50000112.3N126 D128N126-S131 WeakPolarHBondContact CB-O 3.4Å; N126-S131 WeakPolarHBondContact CB-OG 3.36Å; N126-S131 PolarHBondContact N-O 2.86Å; N126-S131 PolarHBondContact ND2-OG 3.48Å; D128-S131 VanDerWaalsContact CG-OG 3.29Å; D128-S131 PolarHBondContact OD1-N 3.41Å; D128-S131 PolarHBondContact OD1-OG 2.92Å; D128-S131 WeakPolarHBondContact OD2-CB 3.38Å; D128-S131 PolarHBondContact OD2-OG 3.42Å
132W98.8Very high98.5Very high12 Ų1244.6 Ų44.65%0.04526%0.261CS..EExtended strand (participates in β ladder)trans-121.1144.1-174.5-61.294.9000111.7I123 A124 L125 Q143 W146 V151 A152 L155I123-W132 HydrophobicContact CD1-CB 4.36Å; I123-W132 HydrophobicContact CD1-CD2 4.4Å; I123-W132 HydrophobicContact CD1-CE3 4.17Å; I123-W132 HydrophobicContact CD1-CG 4.5Å; I123-W132 HydrophobicContact CG1-CB 4.42Å; I123-W132 HydrophobicContact CG1-CE3 4.02Å; A124-W132 WeakPolarHBondContact O-CA 3.43Å; L125-W132 HydrophobicContact CB-CE3 4.03Å; L125-W132 HydrophobicContact CB-CH2 4.06Å; L125-W132 HydrophobicContact CB-CZ3 3.61Å; L125-W132 HydrophobicContact CD1-CD2 4.3Å; L125-W132 HydrophobicContact CD1-CE3 4.35Å; L125-W132 HydrophobicContact CD1-CH2 4.08Å; L125-W132 HydrophobicContact CD1-CZ2 4Å; L125-W132 HydrophobicContact CD1-CZ3 4.23Å; L125-W132 HydrophobicContact CG-CZ3 4.49Å; W132-Q143 HydrophobicContact CB-CG 4.02Å; W132-Q143 PolarHBondContact O-NE2 2.85Å; W132-W146 AromaticContact CD2-CE3 3.95Å; W132-W146 HydrophobicContact CD2-CE3 3.95Å; W132-W146 AromaticContact CE2-CE3 3.74Å; W132-W146 AromaticContact CE3-CE3 3.82Å; W132-W146 HydrophobicContact CE3-CE3 3.82Å; W132-W146 AromaticContact CE3-CZ3 3.91Å; W132-W146 HydrophobicContact CE3-CZ3 3.91Å; W132-W146 HydrophobicContact CH2-CD2 4.39Å; W132-W146 AromaticContact CH2-CE3 3.23Å; W132-W146 HydrophobicContact CH2-CE3 3.23Å; W132-W146 HydrophobicContact CH2-CH2 4.38Å; W132-W146 AromaticContact CH2-CZ3 3.24Å; W132-W146 HydrophobicContact CH2-CZ3 3.24Å; W132-W146 HydrophobicContact CZ2-CD2 4.28Å; W132-W146 AromaticContact CZ2-CE3 3.38Å; W132-W146 HydrophobicContact CZ2-CE3 3.38Å; W132-W146 AromaticContact CZ2-CZ3 3.93Å; W132-W146 HydrophobicContact CZ2-CZ3 3.93Å; W132-W146 AromaticContact CZ3-CE3 3.49Å; W132-W146 HydrophobicContact CZ3-CE3 3.49Å; W132-W146 VanDerWaalsContact CZ3-CE3 3.49Å; W132-W146 HydrophobicContact CZ3-CH2 4.49Å; W132-W146 AromaticContact CZ3-CZ3 3.26Å; W132-W146 HydrophobicContact CZ3-CZ3 3.26Å; W132-V151 HydrophobicContact CZ2-CB 4.32Å; W132-V151 HydrophobicContact CZ2-CG1 4.08Å; W132-A152 HydrophobicContact CZ2-CB 4.2Å; W132-L155 HydrophobicContact CH2-CD1 3.37Å; W132-L155 HydrophobicContact CZ2-CD1 3.86Å; W132-L155 HydrophobicContact CZ3-CD1 4.47Å
133T98.8Very high98.5Very high78 Ų7845.2 Ų45.248%0.47927%0.265SS..EExtended strand (participates in β ladder)trans-105.8117163.3-65.10000108.8I123 A124 N126I123-T133 WeakPolarHBondContact CA-O 3.11Å; A124-T133 PolarHBondContact N-O 2.89Å; A124-T133 PolarHBondContact O-N 2.84Å; N126-T133 WeakPolarHBondContact OD1-CB 3.24Å; N126-T133 PolarHBondContact OD1-OG1 3.05Å
134A98.7Very high98.5Very high21 Ų2152.6 Ų52.617%0.17429%0.292CS..EExtended strand (participates in β ladder)trans-97.8131.9174.600000110.3A139 Q140 Q143A134-A139 HydrophobicContact CB-CB 3.77Å; A134-Q140 HydrophobicContact CB-CG 3.92Å; A134-Q143 HydrophobicContact CB-CB 4.43Å
135A98.6Very high98.5Very high61 Ų6156.7 Ų56.750%0.50431%0.305SS..SBendtrans-74.3-30.3-175.400000113.5D121 Y122D121-A135 HydrophobicContact CB-CB 4.45Å; D121-A135 WeakPolarHBondContact O-CB 3.48Å; Y122-A135 WeakPolarHBondContact O-CB 3.29Å; Y122-A135 PolarHBondContact O-N 2.85Å
136D98.4Very high98.4Very high52 Ų5259.2 Ų59.228%0.27831%0.313SS..SBendtrans-152-176.7-178.165.628.6000112.7Y84 A138 A139 Q140Y84-D136 WeakPolarHBondContact CE1-OD2 3.43Å; Y84-D136 VanDerWaalsContact OH-CG 3.3Å; Y84-D136 PolarHBondContact OH-OD1 3.41Å; Y84-D136 PolarHBondContact OH-OD2 2.75Å; D136-A138 VanDerWaalsContact C-N 3.27Å; D136-A138 PolarHBondContact O-N 2.83Å; D136-A138 WeakPolarHBondContact OD1-CA 3.12Å; D136-A138 VanDerWaalsContact OD1-CB 3.31Å; D136-A138 WeakPolarHBondContact OD1-CB 3.44Å; D136-A138 PolarHBondContact OD1-N 2.94Å; D136-A139 PolarHBondContact O-N 2.96Å; D136-A139 PolarHBondContact OD1-N 2.95Å; D136-Q140 WeakPolarHBondContact O-CG 3.38Å; D136-Q140 PolarHBondContact O-N 2.85Å
137T98.3Very high98.4Very high110 Ų11061.8 Ų61.868%0.67532%0.324SS*.Hα-helixtrans-65.2-27-179.951.40000113.8
138A98.1Very high98.5Very high4 Ų459.9 Ų59.93%0.03333%0.33CS..Hα-helixtrans-71.7-45.8175.200000110.2Y83 Y84 Y122 D136 Q140 I141Y83-A138 HydrophobicContact CD2-CB 4.38Å; Y84-A138 HydrophobicContact CD1-CB 4.24Å; Y84-A138 HydrophobicContact CD2-CB 4.42Å; Y84-A138 HydrophobicContact CE1-CB 3.67Å; Y84-A138 HydrophobicContact CE2-CB 3.88Å; Y84-A138 VanDerWaalsContact CZ-CB 3.48Å; Y122-A138 HydrophobicContact CE2-CB 4.4Å; Y122-A138 PolarHBondContact OH-O 2.87Å; D136-A138 VanDerWaalsContact C-N 3.27Å; D136-A138 PolarHBondContact O-N 2.83Å; D136-A138 WeakPolarHBondContact OD1-CA 3.12Å; D136-A138 VanDerWaalsContact OD1-CB 3.31Å; D136-A138 WeakPolarHBondContact OD1-CB 3.44Å; D136-A138 PolarHBondContact OD1-N 2.94Å; A138-Q140 VanDerWaalsContact C-N 3.28Å; A138-Q140 PolarHBondContact O-N 2.73Å; A138-I141 VanDerWaalsContact O-CB 3.31Å; A138-I141 WeakPolarHBondContact O-CB 3.4Å; A138-I141 PolarHBondContact O-N 3.39Å
139A98.5Very high98.5Very high0 Ų058.8 Ų58.80%033%0.332CS..Hα-helixtrans-61.6-33.8174.300000113.1Y122 A134 D136 I141 T142 Q143Y122-A139 HydrophobicContact CD1-CB 4.38Å; Y122-A139 HydrophobicContact CD2-CB 3.93Å; Y122-A139 HydrophobicContact CE1-CB 4.26Å; Y122-A139 HydrophobicContact CE2-CB 3.82Å; Y122-A139 HydrophobicContact CG-CB 4.21Å; Y122-A139 WeakPolarHBondContact O-CB 3.28Å; A134-A139 HydrophobicContact CB-CB 3.77Å; D136-A139 PolarHBondContact O-N 2.96Å; D136-A139 PolarHBondContact OD1-N 2.95Å; A139-I141 PolarHBondContact O-N 2.81Å; A139-T142 CarbonylContact O-C 3.56Å; A139-T142 WeakPolarHBondContact O-CA 3.5Å; A139-T142 WeakPolarHBondContact O-CB 3.24Å; A139-T142 PolarHBondContact O-N 3.23Å; A139-Q143 PolarHBondContact O-N 3Å
140Q98.7Very high98.5Very high77 Ų7765.7 Ų65.736%0.3636%0.358SS..Hα-helixtrans-60-29.4173.2-74.1173.41000112.9A134 D136 A138 Q143 R144A134-Q140 HydrophobicContact CB-CG 3.92Å; D136-Q140 WeakPolarHBondContact O-CG 3.38Å; D136-Q140 PolarHBondContact O-N 2.85Å; A138-Q140 VanDerWaalsContact C-N 3.28Å; A138-Q140 PolarHBondContact O-N 2.73Å; Q140-Q143 PolarHBondContact O-N 2.91Å; Q140-R144 WeakPolarHBondContact O-CG 3.45Å; Q140-R144 PolarHBondContact O-N 3Å; Q140-R144 VanDerWaalsContact O-N 3.09Å
141I98.5Very high98.5Very high61 Ų6163.6 Ų63.631%0.31334%0.342SS..Hα-helixtrans-66.9-42.4173.8-56.5169.5000109.9Y83 A138 A139 K145Y83-I141 HydrophobicContact CD1-CD1 4.15Å; Y83-I141 HydrophobicContact CE1-CD1 4.27Å; Y83-I141 HydrophobicContact CE1-CG2 3.97Å; Y83-I141 HydrophobicContact CE2-CB 4.1Å; Y83-I141 HydrophobicContact CE2-CG2 4.13Å; Y83-I141 HydrophobicContact CG-CD1 4.34Å; Y83-I141 WeakPolarHBondContact OH-CG2 3.42Å; A138-I141 VanDerWaalsContact O-CB 3.31Å; A138-I141 WeakPolarHBondContact O-CB 3.4Å; A138-I141 PolarHBondContact O-N 3.39Å; A139-I141 PolarHBondContact O-N 2.81Å; I141-K145 WeakPolarHBondContact O-CG 3.45Å; I141-K145 PolarHBondContact O-N 2.9Å
142T98.4Very high98.5Very high17 Ų1762.1 Ų62.110%0.10433%0.332CS..Hα-helixtrans-64-45.3173.6-670000111.3Y122 I123 A139 R144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.26Å; Y122-T142 PolarHBondContact OH-OG1 2.86Å; I123-T142 HydrophobicContact CD1-CG2 4.09Å; A139-T142 CarbonylContact O-C 3.56Å; A139-T142 WeakPolarHBondContact O-CA 3.5Å; A139-T142 WeakPolarHBondContact O-CB 3.24Å; A139-T142 PolarHBondContact O-N 3.23Å; T142-R144 PolarHBondContact O-N 3.26Å; T142-K145 WeakPolarHBondContact O-CB 3.47Å; T142-K145 PolarHBondContact O-N 3.11Å; T142-K145 VanDerWaalsContact O-N 3.13Å; T142-W146 HydrophobicContact CG2-CD2 3.76Å; T142-W146 HydrophobicContact CG2-CE3 4.24Å; T142-W146 HydrophobicContact CG2-CG 4.11Å; T142-W146 HydrophobicContact CG2-CH2 4.46Å; T142-W146 HydrophobicContact CG2-CZ2 3.98Å; T142-W146 WeakPolarHBondContact O-CB 3.18Å; T142-W146 PolarHBondContact O-N 3.45Å
143Q98.7Very high98.5Very high39 Ų3966.4 Ų66.418%0.18235%0.352CS..Hα-helixtrans-52.7-52.7177.7176.7174.66.400111.6I123 W132 A134 A139 Q140 K145 W146 E147I123-Q143 HydrophobicContact CD1-CB 3.95Å; W132-Q143 HydrophobicContact CB-CG 4.02Å; W132-Q143 PolarHBondContact O-NE2 2.85Å; A134-Q143 HydrophobicContact CB-CB 4.43Å; A139-Q143 PolarHBondContact O-N 3Å; Q140-Q143 PolarHBondContact O-N 2.91Å; Q143-K145 VanDerWaalsContact C-N 3.28Å; Q143-K145 PolarHBondContact O-N 3.37Å; Q143-W146 PolarHBondContact O-N 2.81Å; Q143-E147 HydrophobicContact CG-CG 4.3Å; Q143-E147 VanDerWaalsContact CG-OE1 3.25Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.21Å; Q143-E147 PolarHBondContact NE2-OE1 2.96Å; Q143-E147 WeakPolarHBondContact O-CG 3.41Å; Q143-E147 PolarHBondContact O-N 2.85Å
144R98.8Very high98.5Very high159 Ų15969 Ų6960%0.636%0.36SS*.Hα-helixtrans-58.3-39.4179.3-68.7171.9-166153.27.6112.6Q140 T142 A148Q140-R144 WeakPolarHBondContact O-CG 3.45Å; Q140-R144 PolarHBondContact O-N 3Å; Q140-R144 VanDerWaalsContact O-N 3.09Å; T142-R144 PolarHBondContact O-N 3.26Å; R144-A148 WeakPolarHBondContact O-CB 3.46Å; R144-A148 PolarHBondContact O-N 3.34Å
145K98.4Very high98.5Very high113 Ų11369 Ų6949%0.49136%0.356SS..Hα-helixtrans-65.4-42.8176.1-71.8176.7175.1-176.40111.3Y83 I141 T142 Q143 A149Y83-K145 PolarHBondContact OH-NZ 3.34Å; I141-K145 WeakPolarHBondContact O-CG 3.45Å; I141-K145 PolarHBondContact O-N 2.9Å; T142-K145 WeakPolarHBondContact O-CB 3.47Å; T142-K145 PolarHBondContact O-N 3.11Å; T142-K145 VanDerWaalsContact O-N 3.13Å; Q143-K145 VanDerWaalsContact C-N 3.28Å; Q143-K145 PolarHBondContact O-N 3.37Å; K145-A149 VanDerWaalsContact O-CB 3.3Å; K145-A149 WeakPolarHBondContact O-CB 3.3Å; K145-A149 PolarHBondContact O-N 3.35Å
146W98.5Very high98.5Very high67 Ų6771.2 Ų71.225%0.25435%0.351SS..Hα-helixtrans-71.5-35.7-178.6-76.69.9000112.7I123 W132 T142 Q143 A149 R150 V151I123-W146 HydrophobicContact CD1-CE3 4.06Å; I123-W146 HydrophobicContact CD1-CZ3 4.3Å; I123-W146 HydrophobicContact CG2-CH2 4.07Å; I123-W146 HydrophobicContact CG2-CZ3 3.75Å; W132-W146 AromaticContact CD2-CE3 3.95Å; W132-W146 HydrophobicContact CD2-CE3 3.95Å; W132-W146 AromaticContact CE2-CE3 3.74Å; W132-W146 AromaticContact CE3-CE3 3.82Å; W132-W146 HydrophobicContact CE3-CE3 3.82Å; W132-W146 AromaticContact CE3-CZ3 3.91Å; W132-W146 HydrophobicContact CE3-CZ3 3.91Å; W132-W146 HydrophobicContact CH2-CD2 4.39Å; W132-W146 AromaticContact CH2-CE3 3.23Å; W132-W146 HydrophobicContact CH2-CE3 3.23Å; W132-W146 HydrophobicContact CH2-CH2 4.38Å; W132-W146 AromaticContact CH2-CZ3 3.24Å; W132-W146 HydrophobicContact CH2-CZ3 3.24Å; W132-W146 HydrophobicContact CZ2-CD2 4.28Å; W132-W146 AromaticContact CZ2-CE3 3.38Å; W132-W146 HydrophobicContact CZ2-CE3 3.38Å; W132-W146 AromaticContact CZ2-CZ3 3.93Å; W132-W146 HydrophobicContact CZ2-CZ3 3.93Å; W132-W146 AromaticContact CZ3-CE3 3.49Å; W132-W146 HydrophobicContact CZ3-CE3 3.49Å; W132-W146 VanDerWaalsContact CZ3-CE3 3.49Å; W132-W146 HydrophobicContact CZ3-CH2 4.49Å; W132-W146 AromaticContact CZ3-CZ3 3.26Å; W132-W146 HydrophobicContact CZ3-CZ3 3.26Å; T142-W146 HydrophobicContact CG2-CD2 3.76Å; T142-W146 HydrophobicContact CG2-CE3 4.24Å; T142-W146 HydrophobicContact CG2-CG 4.11Å; T142-W146 HydrophobicContact CG2-CH2 4.46Å; T142-W146 HydrophobicContact CG2-CZ2 3.98Å; T142-W146 WeakPolarHBondContact O-CB 3.18Å; T142-W146 PolarHBondContact O-N 3.45Å; Q143-W146 PolarHBondContact O-N 2.81Å; W146-A149 CarbonylContact O-C 3.51Å; W146-A149 PolarHBondContact O-N 3.4Å; W146-R150 PolarHBondContact O-N 3.1Å; W146-V151 HydrophobicContact CB-CB 3.95Å; W146-V151 HydrophobicContact CB-CG2 3.93Å; W146-V151 HydrophobicContact CD2-CB 4.45Å; W146-V151 HydrophobicContact CD2-CG1 4.22Å; W146-V151 HydrophobicContact CE3-CG1 4.49Å; W146-V151 HydrophobicContact CG-CB 4.07Å; W146-V151 HydrophobicContact CG-CG1 4.34Å; W146-V151 HydrophobicContact CG-CG2 3.86Å; W146-V151 PolarHBondContact O-N 3.08Å
147E98.6Very high98.5Very high98 Ų9871.9 Ų71.946%0.45836%0.364SS..Hα-helixtrans-64.5-49.1171.3-72.4168.8173.400111Q143 A149 R150Q143-E147 HydrophobicContact CG-CG 4.3Å; Q143-E147 VanDerWaalsContact CG-OE1 3.25Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.21Å; Q143-E147 PolarHBondContact NE2-OE1 2.96Å; Q143-E147 WeakPolarHBondContact O-CG 3.41Å; Q143-E147 PolarHBondContact O-N 2.85Å; E147-A149 VanDerWaalsContact C-N 3.25Å; E147-A149 PolarHBondContact O-N 2.88Å; E147-R150 PolarHBondContact O-N 2.93Å
148A98.5Very high98.5Very high89 Ų8969.4 Ų69.474%0.73634%0.343SS*.Hα-helixtrans-60.3-35.4177.400000112.8R144R144-A148 WeakPolarHBondContact O-CB 3.46Å; R144-A148 PolarHBondContact O-N 3.34Å
149A98.4Very high98.5Very high57 Ų5769.3 Ų69.347%0.47134%0.342SS..THydrogen-bonded Turntrans-90.74.3177.700000114K145 W146 E147 V151K145-A149 VanDerWaalsContact O-CB 3.3Å; K145-A149 WeakPolarHBondContact O-CB 3.3Å; K145-A149 PolarHBondContact O-N 3.35Å; W146-A149 CarbonylContact O-C 3.51Å; W146-A149 PolarHBondContact O-N 3.4Å; E147-A149 VanDerWaalsContact C-N 3.25Å; E147-A149 PolarHBondContact O-N 2.88Å; A149-V151 VanDerWaalsContact C-N 3.26Å; A149-V151 HydrophobicContact CB-CG2 4.05Å; A149-V151 PolarHBondContact O-N 2.91Å
150R98.3Very high98.5Very high153 Ų15373.6 Ų73.658%0.57736%0.362SS*.THydrogen-bonded Turntrans52.540.8178.8-70.9169.8170.8-106.54.5113.7W146 E147 A152 E153W146-R150 PolarHBondContact O-N 3.1Å; E147-R150 PolarHBondContact O-N 2.93Å; R150-A152 VanDerWaalsContact C-N 3.29Å; R150-A152 PolarHBondContact O-N 2.76Å; R150-E153 HydrophobicContact CB-CG 4.48Å; R150-E153 VanDerWaalsContact CB-OE2 3.28Å; R150-E153 WeakPolarHBondContact CB-OE2 3.41Å; R150-E153 VanDerWaalsContact CD-OE2 3.28Å; R150-E153 WeakPolarHBondContact CD-OE2 3.19Å; R150-E153 WeakPolarHBondContact CG-OE2 3.44Å; R150-E153 IonicContact CZ-OE1 2.73Å; R150-E153 IonicContact NH1-OE1 3.68Å; R150-E153 PolarHBondContact NH1-OE1 3.2Å; R150-E153 IonicContact NH1-OE2 3.77Å; R150-E153 PolarHBondContact NH1-OE2 3.18Å; R150-E153 VanDerWaalsContact NH1-OE2 3.13Å; R150-E153 PolarHBondContact O-N 2.75Å
151V98.6Very high98.5Very high29 Ų2970.9 Ų70.918%0.17636%0.355CS..Hα-helixtrans-64.1-34.9-176176.30000111.9W132 W146 A149 E153 Q154 L155W132-V151 HydrophobicContact CZ2-CB 4.32Å; W132-V151 HydrophobicContact CZ2-CG1 4.08Å; W146-V151 HydrophobicContact CB-CB 3.95Å; W146-V151 HydrophobicContact CB-CG2 3.93Å; W146-V151 HydrophobicContact CD2-CB 4.45Å; W146-V151 HydrophobicContact CD2-CG1 4.22Å; W146-V151 HydrophobicContact CE3-CG1 4.49Å; W146-V151 HydrophobicContact CG-CB 4.07Å; W146-V151 HydrophobicContact CG-CG1 4.34Å; W146-V151 HydrophobicContact CG-CG2 3.86Å; W146-V151 PolarHBondContact O-N 3.08Å; A149-V151 VanDerWaalsContact C-N 3.26Å; A149-V151 HydrophobicContact CB-CG2 4.05Å; A149-V151 PolarHBondContact O-N 2.91Å; V151-E153 VanDerWaalsContact C-N 3.27Å; V151-E153 PolarHBondContact O-N 3.18Å; V151-Q154 PolarHBondContact O-N 3.21Å; V151-L155 HydrophobicContact CG1-CD1 3.97Å; V151-L155 HydrophobicContact CG1-CG 4.32Å; V151-L155 PolarHBondContact O-N 3.17Å; V151-L155 VanDerWaalsContact O-N 3.09Å
152A98.6Very high98.5Very high8 Ų871.3 Ų71.37%0.06636%0.358CS..Hα-helixtrans-59.1-38.2178.700000112.2L125 S130 W132 R150 Q154 L155 R156L125-A152 HydrophobicContact CD1-CB 3.93Å; S130-A152 WeakPolarHBondContact O-CB 3.4Å; W132-A152 HydrophobicContact CZ2-CB 4.2Å; R150-A152 VanDerWaalsContact C-N 3.29Å; R150-A152 PolarHBondContact O-N 2.76Å; A152-Q154 VanDerWaalsContact C-N 3.33Å; A152-Q154 PolarHBondContact O-N 2.87Å; A152-L155 PolarHBondContact O-N 3.15Å; A152-R156 VanDerWaalsContact O-CB 3.27Å; A152-R156 WeakPolarHBondContact O-CB 3.34Å; A152-R156 PolarHBondContact O-N 3.33Å
153E98.4Very high98.5Very high101 Ų10170.6 Ų70.647%0.47235%0.353SS..Hα-helixtrans-65.2-37.3179.7-63.9160.8-16700111.6R150 V151 A157R150-E153 HydrophobicContact CB-CG 4.48Å; R150-E153 VanDerWaalsContact CB-OE2 3.28Å; R150-E153 WeakPolarHBondContact CB-OE2 3.41Å; R150-E153 VanDerWaalsContact CD-OE2 3.28Å; R150-E153 WeakPolarHBondContact CD-OE2 3.19Å; R150-E153 WeakPolarHBondContact CG-OE2 3.44Å; R150-E153 IonicContact CZ-OE1 2.73Å; R150-E153 IonicContact NH1-OE1 3.68Å; R150-E153 PolarHBondContact NH1-OE1 3.2Å; R150-E153 IonicContact NH1-OE2 3.77Å; R150-E153 PolarHBondContact NH1-OE2 3.18Å; R150-E153 VanDerWaalsContact NH1-OE2 3.13Å; R150-E153 PolarHBondContact O-N 2.75Å; V151-E153 VanDerWaalsContact C-N 3.27Å; V151-E153 PolarHBondContact O-N 3.18Å; E153-A157 WeakPolarHBondContact O-CB 3.46Å; E153-A157 PolarHBondContact O-N 3.31Å
154Q98.1Very high98.5Very high134 Ų13469 Ų6963%0.62635%0.346SS*.Hα-helixtrans-69-42.9175.8-60.2176.839.800111.7V151 A152 A157 Y158V151-Q154 PolarHBondContact O-N 3.21Å; A152-Q154 VanDerWaalsContact C-N 3.33Å; A152-Q154 PolarHBondContact O-N 2.87Å; Q154-A157 PolarHBondContact O-N 2.83Å; Q154-Y158 PolarHBondContact O-N 2.83Å; Q154-Y158 VanDerWaalsContact O-N 3.11Å
155L98.4Very high98.4Very high20 Ų2067 Ų6711%0.10534%0.343CS..Hα-helixtrans-66.9-42.7178-69.2171.5000111.3D113 L125 W132 V151 A152 A157 Y158 L159D113-L155 HydrophobicContact CB-CD1 4.18Å; L125-L155 HydrophobicContact CD2-CB 4.06Å; L125-L155 HydrophobicContact CD2-CD1 4.3Å; W132-L155 HydrophobicContact CH2-CD1 3.37Å; W132-L155 HydrophobicContact CZ2-CD1 3.86Å; W132-L155 HydrophobicContact CZ3-CD1 4.47Å; V151-L155 HydrophobicContact CG1-CD1 3.97Å; V151-L155 HydrophobicContact CG1-CG 4.32Å; V151-L155 PolarHBondContact O-N 3.17Å; V151-L155 VanDerWaalsContact O-N 3.09Å; A152-L155 PolarHBondContact O-N 3.15Å; L155-A157 PolarHBondContact O-N 2.88Å; L155-Y158 WeakPolarHBondContact O-CB 3.2Å; L155-Y158 PolarHBondContact O-N 3.4Å; L155-L159 WeakPolarHBondContact O-CB 3.1Å; L155-L159 WeakPolarHBondContact O-CG 3.35Å; L155-L159 PolarHBondContact O-N 2.92Å
156R98.6Very high98.4Very high107 Ų10764.9 Ų64.940%0.40433%0.332SS..Hα-helixtrans-56.4-49.1173.6-177.2178.2176.7162.411.6111.5L129 A152 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.07Å; L129-R156 HydrophobicContact CB-CG 3.95Å; L129-R156 HydrophobicContact CD1-CG 4.34Å; A152-R156 VanDerWaalsContact O-CB 3.27Å; A152-R156 WeakPolarHBondContact O-CB 3.34Å; A152-R156 PolarHBondContact O-N 3.33Å; R156-Y158 VanDerWaalsContact C-N 3.27Å; R156-Y158 PolarHBondContact O-N 2.87Å; R156-L159 PolarHBondContact O-N 3.27Å; R156-E160 HydrophobicContact CG-CG 4.14Å; R156-E160 WeakPolarHBondContact CG-OE2 3.39Å; R156-E160 IonicContact CZ-OE1 3.13Å; R156-E160 IonicContact CZ-OE2 2.99Å; R156-E160 VanDerWaalsContact NE-CD 3.28Å; R156-E160 IonicContact NE-OE1 3.62Å; R156-E160 PolarHBondContact NE-OE1 2.79Å; R156-E160 IonicContact NE-OE2 2.75Å; R156-E160 PolarHBondContact NE-OE2 3.39Å; R156-E160 IonicContact NH2-OE1 3.81Å; R156-E160 PolarHBondContact NH2-OE1 3.36Å; R156-E160 IonicContact NH2-OE2 3.88Å; R156-E160 WeakPolarHBondContact O-CB 3.13Å; R156-E160 PolarHBondContact O-N 3.33Å
157A98.6Very high98.4Very high66 Ų6661.7 Ų61.755%0.54532%0.32SS..Hα-helixtrans-58.8-38.4177.600000112.6E153 Q154 L155 G161E153-A157 WeakPolarHBondContact O-CB 3.46Å; E153-A157 PolarHBondContact O-N 3.31Å; Q154-A157 PolarHBondContact O-N 2.83Å; L155-A157 PolarHBondContact O-N 2.88Å; A157-G161 PolarHBondContact O-N 2.98Å; A157-G161 VanDerWaalsContact O-N 3.15Å
158Y98.5Very high98.4Very high59 Ų5962.8 Ų62.823%0.23132%0.32CS..Iπ-helixtrans-67.9-47.6173.8170.6-97.9000112.6Y98 Q154 L155 R156 G161 L162 C163Y98-Y158 AromaticContact CD2-CE1 3.82Å; Y98-Y158 HydrophobicContact CD2-CE1 3.82Å; Y98-Y158 AromaticContact CE2-CE1 3.66Å; Y98-Y158 HydrophobicContact CE2-CE1 3.66Å; Y98-Y158 AromaticContact CE2-CZ 3.94Å; Q154-Y158 PolarHBondContact O-N 2.83Å; Q154-Y158 VanDerWaalsContact O-N 3.11Å; L155-Y158 WeakPolarHBondContact O-CB 3.2Å; L155-Y158 PolarHBondContact O-N 3.4Å; R156-Y158 VanDerWaalsContact C-N 3.27Å; R156-Y158 PolarHBondContact O-N 2.87Å; Y158-G161 CarbonylContact O-C 3.47Å; Y158-G161 PolarHBondContact O-N 2.86Å; Y158-L162 HydrophobicContact CD2-CB 3.87Å; Y158-L162 HydrophobicContact CD2-CD1 4.31Å; 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 4.3Å; Y158-C163 HydrophobicContact CE1-CB 3.85Å; Y158-C163 WeakPolarHBondContact O-CB 3.42Å; Y158-C163 PolarHBondContact O-N 3.4Å
159L98.6Very high98.4Very high1 Ų164 Ų641%0.00531%0.306CS..Iπ-helixtrans-69.7-40.1-174.1-70.2170.9000112.3G99 L125 L129 L155 R156 V164G99-L159 WeakPolarHBondContact O-CD2 3.44Å; L125-L159 HydrophobicContact CD2-CD1 3.96Å; L129-L159 HydrophobicContact CD1-CB 4.49Å; L129-L159 HydrophobicContact CD2-CD1 3.96Å; L155-L159 WeakPolarHBondContact O-CB 3.1Å; L155-L159 WeakPolarHBondContact O-CG 3.35Å; L155-L159 PolarHBondContact O-N 2.92Å; R156-L159 PolarHBondContact O-N 3.27Å; L159-V164 VanDerWaalsContact O-CG2 3.32Å; L159-V164 WeakPolarHBondContact O-CG2 3.32Å
160E98.3Very high98.4Very high90 Ų9061.4 Ų61.442%0.42128%0.284SS..Iπ-helixtrans-78.5-25.4176.7-68.9179.4161.500112.9L108 L129 R156L108-E160 HydrophobicContact CD2-CB 4.37Å; L108-E160 HydrophobicContact CD2-CG 3.64Å; L129-E160 HydrophobicContact CD1-CG 4.21Å; R156-E160 HydrophobicContact CG-CG 4.14Å; R156-E160 WeakPolarHBondContact CG-OE2 3.39Å; R156-E160 IonicContact CZ-OE1 3.13Å; R156-E160 IonicContact CZ-OE2 2.99Å; R156-E160 VanDerWaalsContact NE-CD 3.28Å; R156-E160 IonicContact NE-OE1 3.62Å; R156-E160 PolarHBondContact NE-OE1 2.79Å; R156-E160 IonicContact NE-OE2 2.75Å; R156-E160 PolarHBondContact NE-OE2 3.39Å; R156-E160 IonicContact NH2-OE1 3.81Å; R156-E160 PolarHBondContact NH2-OE1 3.36Å; R156-E160 IonicContact NH2-OE2 3.88Å; R156-E160 WeakPolarHBondContact O-CB 3.13Å; R156-E160 PolarHBondContact O-N 3.33Å
161G98.1Very high98.4Very high21 Ų2154.9 Ų54.922%0.21626%0.26CS..Iπ-helixtrans-105.3-95.6-178.700000113.1A157 Y158 C163 V164 E165A157-G161 PolarHBondContact O-N 2.98Å; A157-G161 VanDerWaalsContact O-N 3.15Å; Y158-G161 CarbonylContact O-C 3.47Å; Y158-G161 PolarHBondContact O-N 2.86Å; G161-C163 VanDerWaalsContact C-N 3.29Å; G161-C163 PolarHBondContact O-N 2.88Å; G161-V164 PolarHBondContact O-N 2.89Å; G161-V164 VanDerWaalsContact O-N 3.09Å; G161-E165 WeakPolarHBondContact O-CG 3.16Å; G161-E165 PolarHBondContact O-N 3.45Å
162L98.1Very high98.4Very high70 Ų7058.5 Ų58.537%0.36628%0.275SS..Iπ-helixtrans-55.9-38.3-169.8-71.9176.1000113.7Y158 E165 W166Y158-L162 HydrophobicContact CD2-CB 3.87Å; Y158-L162 HydrophobicContact CD2-CD1 4.31Å; Y158-L162 HydrophobicContact CE2-CB 4.06Å; Y158-L162 PolarHBondContact O-N 2.88Å; Y158-L162 VanDerWaalsContact O-N 3.15Å; L162-E165 PolarHBondContact O-N 2.65Å; L162-W166 WeakPolarHBondContact O-CB 3.4Å; L162-W166 PolarHBondContact O-N 2.93Å
163C98.6Very high98.4Very high1 Ų160.4 Ų60.41%0.00728%0.284CS..Hα-helixtrans-60.5-48.8178.8-1710000111.1M4 C100 Y158 G161 L167M4-C163 HydrophobicContact CE-CB 4.15Å; M4-C163 WeakPolarHBondContact CE-O 3.42Å; M4-C163 WeakPolarHBondContact CE-SG 3.48Å; C100-C163 HydrophobicContact CB-CB 3.91Å; C100-C163 WeakPolarHBondContact CB-SG 3.36Å; C100-C163 PolarHBondContact N-SG 3.47Å; C100-C163 WeakPolarHBondContact SG-CB 3.47Å; C100-C163 PolarHBondContact SG-O 3.24Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.01Å; Y158-C163 HydrophobicContact CD1-CB 4.3Å; Y158-C163 HydrophobicContact CE1-CB 3.85Å; Y158-C163 WeakPolarHBondContact O-CB 3.42Å; Y158-C163 PolarHBondContact O-N 3.4Å; G161-C163 VanDerWaalsContact C-N 3.29Å; G161-C163 PolarHBondContact O-N 2.88Å; C163-L167 VanDerWaalsContact O-CB 3.31Å; C163-L167 WeakPolarHBondContact O-CB 3.45Å; C163-L167 PolarHBondContact O-N 3.07Å
164V98.5Very high98.3Very high6 Ų655.8 Ų55.84%0.03626%0.263CS..Hα-helixtrans-64.6-45.3179.11720000110.8L102 L108 L159 G161 L167 R168L102-V164 HydrophobicContact CD2-CB 4.17Å; L102-V164 HydrophobicContact CD2-CG1 3.79Å; L102-V164 HydrophobicContact CD2-CG2 3.78Å; L108-V164 HydrophobicContact CB-CG2 3.98Å; L108-V164 HydrophobicContact CD1-CG2 3.91Å; L108-V164 HydrophobicContact CG-CG2 4.48Å; L159-V164 VanDerWaalsContact O-CG2 3.32Å; L159-V164 WeakPolarHBondContact O-CG2 3.32Å; G161-V164 PolarHBondContact O-N 2.89Å; G161-V164 VanDerWaalsContact O-N 3.09Å; V164-L167 PolarHBondContact O-N 2.82Å; V164-R168 WeakPolarHBondContact O-CG 3.38Å; V164-R168 PolarHBondContact O-N 3.05Å
165E98.3Very high98.3Very high116 Ų11654.2 Ų54.254%0.54226%0.255SS..Hα-helixtrans-60-48.1178.9-71.6175.1-177.900112.1G161 L162 R168 R169G161-E165 WeakPolarHBondContact O-CG 3.16Å; G161-E165 PolarHBondContact O-N 3.45Å; L162-E165 PolarHBondContact O-N 2.65Å; E165-R168 PolarHBondContact O-N 2.89Å; E165-R169 PolarHBondContact O-N 3.29Å
166W98.4Very high98.1Very high69 Ų6960.7 Ų60.726%0.26128%0.284SS..Hα-helixtrans-68-41.1179.1-82.7106.5000112.3M4 Y58 L162 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.16Å; Y58-W166 AromaticContact CD2-CH2 3.62Å; Y58-W166 HydrophobicContact CD2-CH2 3.62Å; Y58-W166 HydrophobicContact CD2-CZ2 4.09Å; Y58-W166 HydrophobicContact CD2-CZ3 4.11Å; Y58-W166 AromaticContact CE2-CH2 3.96Å; Y58-W166 HydrophobicContact CE2-CH2 3.96Å; Y58-W166 HydrophobicContact CE2-CZ2 4.37Å; Y58-W166 HydrophobicContact CE2-CZ3 4.05Å; L162-W166 WeakPolarHBondContact O-CB 3.4Å; L162-W166 PolarHBondContact O-N 2.93Å; W166-R168 VanDerWaalsContact C-N 3.35Å; W166-R168 PolarHBondContact O-N 2.9Å; W166-R169 WeakPolarHBondContact O-CB 3.46Å; W166-R169 PolarHBondContact O-N 3.21Å; W166-Y170 HydrophobicContact CB-CE2 4.04Å; W166-Y170 HydrophobicContact CD2-CE1 4.46Å; W166-Y170 HydrophobicContact CE3-CD1 4.31Å; W166-Y170 AromaticContact CE3-CE1 3.38Å; W166-Y170 HydrophobicContact CE3-CE1 3.38Å; W166-Y170 HydrophobicContact CE3-CE2 4.35Å; W166-Y170 AromaticContact CE3-CZ 3.39Å; W166-Y170 AromaticContact CZ3-CE1 3.78Å; W166-Y170 HydrophobicContact CZ3-CE1 3.78Å; W166-Y170 VanDerWaalsContact O-CD2 3.29Å; W166-Y170 WeakPolarHBondContact O-CD2 3.33Å; W166-Y170 PolarHBondContact O-N 2.87Å
167L98.7Very high98Very high0 Ų057.6 Ų57.60%028%0.277CS..Hα-helixtrans-60.7-44.4176.117451.9000111.2H2 M4 V27 L102 C163 V164 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 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 4.49Å; V27-L167 HydrophobicContact CG1-CD1 3.61Å; V27-L167 HydrophobicContact CG2-CD1 4.2Å; L102-L167 HydrophobicContact CD1-CB 4.28Å; L102-L167 HydrophobicContact CD1-CD2 3.65Å; L102-L167 HydrophobicContact CD1-CG 3.73Å; L102-L167 HydrophobicContact CG-CD2 3.58Å; L102-L167 HydrophobicContact CG-CG 4.25Å; C163-L167 VanDerWaalsContact O-CB 3.31Å; C163-L167 WeakPolarHBondContact O-CB 3.45Å; C163-L167 PolarHBondContact O-N 3.07Å; V164-L167 PolarHBondContact O-N 2.82Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 3.25Å; L167-Y170 PolarHBondContact O-N 3.2Å; L167-L171 HydrophobicContact CD1-CD1 3.92Å; L167-L171 HydrophobicContact CD1-CD2 4.38Å; L167-L171 HydrophobicContact CD1-CG 3.88Å; L167-L171 HydrophobicContact CG-CD1 4.09Å; L167-L171 HydrophobicContact CG-CG 4.5Å; L167-L171 VanDerWaalsContact O-CG 3.29Å; L167-L171 WeakPolarHBondContact O-CG 3.39Å; L167-L171 PolarHBondContact O-N 3.44Å
168R98.3Very high97.9Very high122 Ų12254.7 Ų54.746%0.4625%0.253SS..Hα-helixtrans-59.3-44.1174.4-72.6176.1-176.3162.50.3112.3L102 G106 V164 E165 W166 Y170 L171 E172L102-R168 HydrophobicContact CD1-CG 3.95Å; G106-R168 VanDerWaalsContact O-CZ 3.25Å; G106-R168 PolarHBondContact O-NE 3.17Å; G106-R168 PolarHBondContact O-NH2 2.8Å; V164-R168 WeakPolarHBondContact O-CG 3.38Å; V164-R168 PolarHBondContact O-N 3.05Å; E165-R168 PolarHBondContact O-N 2.89Å; W166-R168 VanDerWaalsContact C-N 3.35Å; W166-R168 PolarHBondContact O-N 2.9Å; R168-Y170 PolarHBondContact O-N 3.03Å; R168-L171 PolarHBondContact O-N 3.12Å; R168-E172 PolarHBondContact O-N 3.25Å
169R98.1Very high97.8Very high115 Ų11557 Ų5743%0.43427%0.266SS..Hα-helixtrans-60.3-44.5175.9176.4175.917393.8-6.8111.5E54 E165 W166 L167 E172 N173E54-R169 IonicContact OE1-CZ 3.94Å; E54-R169 IonicContact OE1-NE 2.75Å; E54-R169 PolarHBondContact OE1-NE 3.25Å; E54-R169 IonicContact OE1-NH2 2.98Å; E54-R169 PolarHBondContact OE1-NH2 3.09Å; E54-R169 IonicContact OE2-CZ 3.8Å; E54-R169 IonicContact OE2-NE 2.94Å; E54-R169 PolarHBondContact OE2-NE 2.83Å; E54-R169 IonicContact OE2-NH2 3.75Å; E54-R169 PolarHBondContact OE2-NH2 3.15Å; E165-R169 PolarHBondContact O-N 3.29Å; W166-R169 WeakPolarHBondContact O-CB 3.46Å; W166-R169 PolarHBondContact O-N 3.21Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 3.25Å; R169-E172 PolarHBondContact O-N 3.49Å; R169-N173 WeakPolarHBondContact O-CB 3.43Å; R169-N173 PolarHBondContact O-N 3Å; R169-N173 PolarHBondContact O-ND2 3.28Å; R169-N173 PolarHBondContact O-OD1 3.15Å
170Y98.5Very high97.7Very high2 Ų262.3 Ų62.31%0.00829%0.286CS..Hα-helixtrans-66-39.6178.6-61.2-26.6000112.4M4 V27 F32 W50 I51 Y58 W166 L167 R168 E172 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.77Å; M4-Y170 HydrophobicContact SD-CE2 3.56Å; M4-Y170 VanDerWaalsContact SD-CE2 3.56Å; V27-Y170 HydrophobicContact CG2-CD2 3.96Å; V27-Y170 HydrophobicContact CG2-CG 4.49Å; F32-Y170 HydrophobicContact CD2-CE2 4.49Å; F32-Y170 HydrophobicContact CE2-CD2 4.32Å; F32-Y170 AromaticContact CE2-CE2 3.69Å; F32-Y170 HydrophobicContact CE2-CE2 3.69Å; F32-Y170 HydrophobicContact CZ-CD2 4.38Å; F32-Y170 AromaticContact CZ-CE2 3.85Å; F32-Y170 HydrophobicContact CZ-CE2 3.85Å; W50-Y170 HydrophobicContact CE3-CD1 4.33Å; W50-Y170 HydrophobicContact CE3-CG 4.48Å; W50-Y170 HydrophobicContact CH2-CD2 4.46Å; W50-Y170 HydrophobicContact CH2-CG 4.15Å; W50-Y170 AromaticContact CZ3-CD1 3.69Å; W50-Y170 HydrophobicContact CZ3-CD1 3.69Å; W50-Y170 HydrophobicContact CZ3-CD2 4.23Å; W50-Y170 HydrophobicContact CZ3-CE1 4.42Å; W50-Y170 AromaticContact CZ3-CG 3.59Å; W50-Y170 HydrophobicContact CZ3-CG 3.59Å; I51-Y170 HydrophobicContact CD1-CD1 3.89Å; I51-Y170 HydrophobicContact CD1-CE1 3.29Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.47Å; Y58-Y170 PolarHBondContact OH-OH 2.77Å; W166-Y170 HydrophobicContact CB-CE2 4.04Å; W166-Y170 HydrophobicContact CD2-CE1 4.46Å; W166-Y170 HydrophobicContact CE3-CD1 4.31Å; W166-Y170 AromaticContact CE3-CE1 3.38Å; W166-Y170 HydrophobicContact CE3-CE1 3.38Å; W166-Y170 HydrophobicContact CE3-CE2 4.35Å; W166-Y170 AromaticContact CE3-CZ 3.39Å; W166-Y170 AromaticContact CZ3-CE1 3.78Å; W166-Y170 HydrophobicContact CZ3-CE1 3.78Å; W166-Y170 VanDerWaalsContact O-CD2 3.29Å; W166-Y170 WeakPolarHBondContact O-CD2 3.33Å; W166-Y170 PolarHBondContact O-N 2.87Å; L167-Y170 PolarHBondContact O-N 3.2Å; R168-Y170 PolarHBondContact O-N 3.03Å; Y170-E172 VanDerWaalsContact C-N 3.32Å; Y170-E172 PolarHBondContact O-N 2.81Å; Y170-N173 PolarHBondContact O-N 2.88Å; Y170-G174 PolarHBondContact O-N 3.08Å; Y170-L178 WeakPolarHBondContact O-CD1 3.42Å
171L98.2Very high97.7Very high16 Ų1659.4 Ų59.48%0.08428%0.277CS..Hα-helixtrans-62.7-37.5175-70.5169.7000112.4H2 V27 L167 R168 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.74Å; H2-L171 HydrophobicContact CB-CD2 3.98Å; H2-L171 HydrophobicContact CB-CG 4.43Å; H2-L171 VanDerWaalsContact CG-CD2 3.48Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.3Å; V27-L171 HydrophobicContact CG1-CD2 4.1Å; L167-L171 HydrophobicContact CD1-CD1 3.92Å; L167-L171 HydrophobicContact CD1-CD2 4.38Å; L167-L171 HydrophobicContact CD1-CG 3.88Å; L167-L171 HydrophobicContact CG-CD1 4.09Å; L167-L171 HydrophobicContact CG-CG 4.5Å; L167-L171 VanDerWaalsContact O-CG 3.29Å; L167-L171 WeakPolarHBondContact O-CG 3.39Å; L167-L171 PolarHBondContact O-N 3.44Å; R168-L171 PolarHBondContact O-N 3.12Å; L171-K175 VanDerWaalsContact O-CA 3.24Å; L171-K175 WeakPolarHBondContact O-CA 3.09Å; L171-K175 WeakPolarHBondContact O-CB 3.49Å; L171-K175 PolarHBondContact O-N 3.27Å; L171-K175 VanDerWaalsContact O-N 3.11Å; L171-L178 HydrophobicContact CD2-CB 4.1Å; L171-L178 HydrophobicContact CD2-CD1 4.41Å; L171-Q179 PolarHBondContact O-NE2 3.45Å
172E98Very high97.7Very high104 Ų10460 Ų6049%0.48628%0.275SS..Hα-helixtrans-70.6-49174.6-178.155.2-143.900111.4R168 R169 Y170 G174 K175R168-E172 PolarHBondContact O-N 3.25Å; R169-E172 PolarHBondContact O-N 3.49Å; Y170-E172 VanDerWaalsContact C-N 3.32Å; Y170-E172 PolarHBondContact O-N 2.81Å; E172-G174 VanDerWaalsContact C-N 3.29Å; E172-G174 PolarHBondContact O-N 3.08Å; E172-K175 WeakPolarHBondContact O-CG 3.29Å; E172-K175 PolarHBondContact O-N 2.8Å; E172-K175 IonicContact OE1-NZ 3.68Å; E172-K175 PolarHBondContact OE1-NZ 2.96Å
173N98.1Very high97.8Very high49 Ų4959.7 Ų59.726%0.26228%0.277SS..Hα-helixtrans-60.7-38.9-179.6-67-11.9000112.3W50 Q53 E54 R169 Y170W50-N173 HydrophobicContact CB-CB 4.44Å; Q53-N173 VanDerWaalsContact NE2-CB 3.33Å; Q53-N173 PolarHBondContact NE2-ND2 3.09Å; Q53-N173 PolarHBondContact NE2-OD1 3.28Å; Q53-N173 VanDerWaalsContact NE2-OD1 3.1Å; E54-N173 PolarHBondContact OE1-ND2 2.98Å; R169-N173 WeakPolarHBondContact O-CB 3.43Å; R169-N173 PolarHBondContact O-N 3Å; R169-N173 PolarHBondContact O-ND2 3.28Å; R169-N173 PolarHBondContact O-OD1 3.15Å; Y170-N173 PolarHBondContact O-N 2.88Å
174G97.8Very high97.8Very high3 Ų360.1 Ų60.13%0.03128%0.28CS..THydrogen-bonded Turntrans-101.213.5-176.300000114.5Y170 E172 E176 T177 L178Y170-G174 PolarHBondContact O-N 3.08Å; E172-G174 VanDerWaalsContact C-N 3.29Å; E172-G174 PolarHBondContact O-N 3.08Å; G174-E176 VanDerWaalsContact C-N 3.25Å; G174-E176 PolarHBondContact O-N 3.16Å; G174-E176 VanDerWaalsContact O-N 3.08Å; G174-T177 CarbonylContact O-C 3.57Å; G174-T177 WeakPolarHBondContact O-CA 3.42Å; G174-T177 PolarHBondContact O-N 2.97Å; G174-T177 PolarHBondContact O-OG1 3.25Å; G174-L178 PolarHBondContact O-N 3.25Å
175K97.1Very high97.8Very high101 Ų10167.3 Ų67.344%0.43931%0.311SS..Hα-helixtrans-51.5-37.1-168.666-174.1170.7-162.60115.4L171 E172 T177 Q179L171-K175 VanDerWaalsContact O-CA 3.24Å; L171-K175 WeakPolarHBondContact O-CA 3.09Å; L171-K175 WeakPolarHBondContact O-CB 3.49Å; L171-K175 PolarHBondContact O-N 3.27Å; L171-K175 VanDerWaalsContact O-N 3.11Å; E172-K175 WeakPolarHBondContact O-CG 3.29Å; E172-K175 PolarHBondContact O-N 2.8Å; E172-K175 IonicContact OE1-NZ 3.68Å; E172-K175 PolarHBondContact OE1-NZ 2.96Å; K175-T177 PolarHBondContact O-N 2.95Å; K175-T177 VanDerWaalsContact O-N 3.15Å; K175-Q179 WeakPolarHBondContact O-CB 3.21Å; K175-Q179 PolarHBondContact O-N 2.99Å
176E95.7Very high97.8Very high157 Ų15763.5 Ų63.573%0.73430%0.296SS*.Hα-helixtrans-61.9-24.2179.4-62.8-175.2169.500113G174 R180G174-E176 VanDerWaalsContact C-N 3.25Å; G174-E176 PolarHBondContact O-N 3.16Å; G174-E176 VanDerWaalsContact O-N 3.08Å; E176-R180 PolarHBondContact O-NH1 2.86Å
177T95.8Very high97.8Very high42 Ų4264 Ų6426%0.25830%0.301SS..Hα-helixtrans-107.4-63.6178.755.80000110.2G174 K175 Q179 R180 R238G174-T177 CarbonylContact O-C 3.57Å; G174-T177 WeakPolarHBondContact O-CA 3.42Å; G174-T177 PolarHBondContact O-N 2.97Å; G174-T177 PolarHBondContact O-OG1 3.25Å; K175-T177 PolarHBondContact O-N 2.95Å; K175-T177 VanDerWaalsContact O-N 3.15Å; T177-Q179 VanDerWaalsContact C-N 3.3Å; T177-Q179 PolarHBondContact O-N 3.21Å; T177-R180 WeakPolarHBondContact O-CB 3.29Å; T177-R180 PolarHBondContact O-N 3.32Å; T177-R238 VanDerWaalsContact CB-NH1 3.32Å; T177-R238 PolarHBondContact O-NH1 3.03Å; T177-R238 PolarHBondContact O-NH2 2.86Å
178L96.8Very high97.8Very high4 Ų465 Ų652%0.02131%0.307CS..Hα-helixtrans-64.9-27.9-168.4-62.6174.2000114.3V27 T30 W50 Y170 L171 G174V27-L178 HydrophobicContact CB-CD1 4.3Å; V27-L178 HydrophobicContact CB-CD2 4.19Å; V27-L178 HydrophobicContact CG1-CD1 3.93Å; V27-L178 HydrophobicContact CG1-CD2 4.1Å; T30-L178 HydrophobicContact CG2-CD2 4.09Å; W50-L178 HydrophobicContact CD2-CD1 4.39Å; W50-L178 HydrophobicContact CH2-CD1 4.35Å; W50-L178 HydrophobicContact CZ2-CD1 3.81Å; W50-L178 HydrophobicContact CZ2-CD2 4.19Å; W50-L178 HydrophobicContact CZ2-CG 4.42Å; Y170-L178 WeakPolarHBondContact O-CD1 3.42Å; L171-L178 HydrophobicContact CD2-CB 4.1Å; L171-L178 HydrophobicContact CD2-CD1 4.41Å; G174-L178 PolarHBondContact O-N 3.25Å
179Q96Very high97.8Very high108 Ų10860.9 Ų60.951%0.50530%0.295SS..THydrogen-bonded Turntrans-100.112.4178.3-58.2-175.940.300112.5L171 K175 T177L171-Q179 PolarHBondContact O-NE2 3.45Å; K175-Q179 WeakPolarHBondContact O-CB 3.21Å; K175-Q179 PolarHBondContact O-N 2.99Å; T177-Q179 VanDerWaalsContact C-N 3.3Å; T177-Q179 PolarHBondContact O-N 3.21Å
180R97.1Very high97.8Very high113 Ų11357.7 Ų57.743%0.42629%0.285SS..  trans-108.6120.1177.6-169.2-17677.1-1415.8110E176 T177 D182 Y208E176-R180 PolarHBondContact O-NH1 2.86Å; T177-R180 WeakPolarHBondContact O-CB 3.29Å; T177-R180 PolarHBondContact O-N 3.32Å; R180-D182 IonicContact CZ-OD1 3.67Å; R180-D182 IonicContact CZ-OD2 3.83Å; R180-D182 IonicContact NE-OD1 2.71Å; R180-D182 PolarHBondContact NE-OD1 2.91Å; R180-D182 IonicContact NE-OD2 3.5Å; R180-D182 IonicContact NH2-OD1 3.5Å; R180-D182 PolarHBondContact NH2-OD1 3.34Å; R180-D182 IonicContact NH2-OD2 3.14Å; R180-D182 PolarHBondContact NH2-OD2 2.96Å; R180-Y208 WeakPolarHBondContact O-CD1 3.39Å
181A98.2Very high97.7Very high29 Ų2961.4 Ų61.424%0.2430%0.302CS..  trans-87.2126.2166.200000109.8Y208 E263A181-Y208 CarbonylContact C-O 3.45Å; A181-Y208 VanDerWaalsContact CA-O 3.26Å; A181-Y208 WeakPolarHBondContact CA-O 3.35Å; A181-E263 HydrophobicContact CB-CG 3.54Å
182D98.4Very high97.6Very high33 Ų3365.4 Ų65.418%0.17633%0.329CS..BIsolated β-bridgetrans-97.5114.6173.7-66.4-36000107.4R180 F207 Y208 H262R180-D182 IonicContact CZ-OD1 3.67Å; R180-D182 IonicContact CZ-OD2 3.83Å; R180-D182 IonicContact NE-OD1 2.71Å; R180-D182 PolarHBondContact NE-OD1 2.91Å; R180-D182 IonicContact NE-OD2 3.5Å; R180-D182 IonicContact NH2-OD1 3.5Å; R180-D182 PolarHBondContact NH2-OD1 3.34Å; R180-D182 IonicContact NH2-OD2 3.14Å; R180-D182 PolarHBondContact NH2-OD2 2.96Å; D182-F207 CarbonylContact O-C 3.59Å; D182-F207 WeakPolarHBondContact O-CA 3.18Å; D182-F207 WeakPolarHBondContact O-CB 3.39Å; D182-Y208 PolarHBondContact N-O 3.24Å; D182-Y208 PolarHBondContact O-N 3.19Å; D182-H262 PolarHBondContact O-CE1 2.8Å; D182-H262 VanDerWaalsContact O-CE1 3.27Å
183P98.6Very high97.5Very high64 Ų6464.9 Ų64.942%0.41633%0.333SS..  trans-71.2150.9-176.426.3-33.3000112.3K185 L265P183-K185 PolarHBondContact O-N 3Å; P183-L265 HydrophobicContact CB-CD2 3.93Å; P183-L265 HydrophobicContact CB-CG 4.43Å
184P98.8Very high97.3Very high9 Ų965 Ų656%0.05834%0.338CS..  trans-67.9133.1179.628.5-35.3000112T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 3.98Å; P184-T186 HydrophobicContact CG-CG2 4.18Å; P184-T186 PolarHBondContact O-N 3.16Å; P184-A204 HydrophobicContact CB-CB 3.86Å; P184-F207 HydrophobicContact CB-CB 3.85Å; P184-F207 HydrophobicContact CB-CD1 3.96Å; P184-F207 HydrophobicContact CB-CG 4.19Å; P184-I212 HydrophobicContact CB-CD1 3.99Å; P184-I212 HydrophobicContact CG-CD1 4.06Å; P184-V260 HydrophobicContact CG-CG1 3.91Å; P184-H262 HydrophobicContact CG-CB 4.01Å; P184-L265 HydrophobicContact CG-CD1 3.89Å; P184-L265 HydrophobicContact CG-CD2 4.46Å; P184-L265 HydrophobicContact CG-CG 4.24Å
185K98.8Very high97Very high158 Ų15872 Ų7269%0.68737%0.374SS*.EExtended strand (participates in β ladder)trans-78.1115.4162.3-64.2173.4-174.2170.10107.8P183 L205P183-K185 PolarHBondContact O-N 3Å; K185-L205 PolarHBondContact N-O 3.27Å; K185-L205 PolarHBondContact O-N 2.9Å
186T98.8Very high96.9Very high36 Ų3674.2 Ų74.222%0.22139%0.386CS..EExtended strand (participates in β ladder)trans-114.7142.7-171.551.40000112P184 W203 A204 V260 L269P184-T186 HydrophobicContact CB-CG2 3.98Å; P184-T186 HydrophobicContact CG-CG2 4.18Å; P184-T186 PolarHBondContact O-N 3.16Å; T186-W203 WeakPolarHBondContact CA-O 3.36Å; T186-A204 HydrophobicContact CG2-CB 4.31Å; T186-V260 HydrophobicContact CG2-CB 4.33Å; T186-V260 HydrophobicContact CG2-CG1 4.06Å; T186-V260 HydrophobicContact CG2-CG2 3.96Å; T186-L269 HydrophobicContact CG2-CD1 4.33Å; T186-L269 WeakPolarHBondContact OG1-CD1 3.38Å
187H98.6Very high96.9Very high79 Ų7971.1 Ų71.137%0.36637%0.372SS..EExtended strand (participates in β ladder)trans-158.8159.7172.163.5-77.7000110.1W203H187-W203 VanDerWaalsContact CE1-CB 3.43Å; H187-W203 WeakPolarHBondContact CE1-CB 3.17Å; H187-W203 AromaticContact CE1-CD1 3.99Å; H187-W203 AromaticContact CE1-CG 3.72Å; H187-W203 PolarHBondContact N-O 2.86Å; H187-W203 AromaticContact NE2-CD1 3.52Å; H187-W203 AromaticContact NE2-CG 3.72Å; H187-W203 PolarHBondContact O-N 3.5Å
188V98.8Very high97Very high22 Ų2269.2 Ų69.213%0.13336%0.36CS..EExtended strand (participates in β ladder)trans-111.3130175.2-179.70000108.8L200 R201 C202 W216 L271 W273V188-L200 HydrophobicContact CG1-CB 4.4Å; V188-L200 HydrophobicContact CG1-CD2 4.45Å; V188-R201 CarbonylContact C-O 3.59Å; V188-R201 WeakPolarHBondContact CA-O 3.49Å; V188-C202 HydrophobicContact CG2-CB 4.48Å; V188-W216 HydrophobicContact CG1-CH2 3.86Å; V188-W216 HydrophobicContact CG1-CZ2 4.23Å; V188-W216 HydrophobicContact CG2-CH2 4.23Å; V188-L271 HydrophobicContact CG2-CB 3.86Å; V188-W273 HydrophobicContact CG1-CB 3.92Å
189T98.4Very high97.1Very high35 Ų3570 Ų7022%0.21537%0.365CS..EExtended strand (participates in β ladder)trans-106.1148.1170.865.40000110.5H191 L200 R201T189-H191 PolarHBondContact OG1-NE2 2.68Å; T189-L200 WeakPolarHBondContact O-CA 3.26Å; T189-R201 PolarHBondContact N-O 2.97Å; T189-R201 PolarHBondContact O-N 2.95Å
190H98Very high97.2Very high48 Ų4864.9 Ų64.922%0.22234%0.341CS..EExtended strand (participates in β ladder)trans-118.8128.5179.4170.5-92.9000109.6A198 T199 L200 E253 W273H190-A198 WeakPolarHBondContact NE2-CB 3.42Å; H190-T199 WeakPolarHBondContact CA-O 3.4Å; H190-L200 HydrophobicContact CB-CD2 4.09Å; H190-E253 IonicContact NE2-OE1 3.95Å; H190-W273 HydrophobicContact CB-CD2 3.83Å; H190-W273 VanDerWaalsContact CB-CE2 3.42Å; H190-W273 HydrophobicContact CB-CG 3.96Å; H190-W273 HydrophobicContact CB-CZ2 3.93Å; H190-W273 VanDerWaalsContact CB-NE1 3.32Å; H190-W273 AromaticContact CG-CE2 3.7Å; H190-W273 AromaticContact CG-CZ2 3.75Å; H190-W273 AromaticContact ND1-CZ2 3.81Å
191H96.9Very high97.3Very high79 Ų7962.1 Ų62.137%0.36633%0.331SS..EExtended strand (participates in β ladder)trans-130.9104.8-178.8-57.1-72.8000109.7T189 V193 A198 T199 R201T189-H191 PolarHBondContact OG1-NE2 2.68Å; H191-V193 PolarHBondContact O-N 3.42Å; H191-A198 CarbonylContact O-C 3.55Å; H191-A198 WeakPolarHBondContact O-CA 3.28Å; H191-T199 PolarHBondContact N-O 3.15Å; H191-T199 PolarHBondContact O-N 2.64Å; H191-R201 PolarHBondContact CD2-NH1 3.04Å; H191-R201 PolarHBondContact NE2-NH1 2.89Å
192P95.9Very high97.3Very high100 Ų10060.8 Ų60.865%0.64932%0.319SS*.EExtended strand (participates in β ladder)trans-57.1130.9172.3-21.931.9000110.7
193V94.4Very high97.4Very high94 Ų9461.4 Ų61.457%0.5732%0.319SS*.  trans-105.9-40.2176.8-179.20000110.1H191 E197 T199H191-V193 PolarHBondContact O-N 3.42Å; V193-E197 PolarHBondContact N-O 2.81Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.43Å
194S94.6Very high97.4Very high52 Ų5258.4 Ų58.436%0.36430%0.299SS..SBendtrans-147.2-179.2174.272.80000110.2H196 E197S194-H196 PolarHBondContact O-N 3.32Å; S194-H196 PolarHBondContact OG-N 2.7Å; S194-H196 VanDerWaalsContact OG-N 3.16Å; S194-E197 PolarHBondContact N-O 3.14Å; S194-E197 PolarHBondContact O-N 2.98Å; S194-E197 VanDerWaalsContact O-O 3.1Å; S194-E197 PolarHBondContact OG-N 3.44Å
195D92Very high97.4Very high149 Ų14960.6 Ų60.680%0.79731%0.31SS*.SBendtrans-62.1-20.7172.5-65.7-21.7000112.5S250D195-S250 PolarHBondContact O-OG 2.97Å; D195-S250 VanDerWaalsContact O-OG 3.09Å
196H94.8Very high97.4Very high147 Ų14754.1 Ų54.168%0.68129%0.289SS*.SBendtrans-105.9-15.6-174.3-55.6-51000113.9S194 P249 S250S194-H196 PolarHBondContact O-N 3.32Å; S194-H196 PolarHBondContact OG-N 2.7Å; S194-H196 VanDerWaalsContact OG-N 3.16Å; H196-P249 CarbonylContact O-C 3.48Å; H196-P249 WeakPolarHBondContact O-CA 3.44Å; H196-S250 PolarHBondContact O-N 2.74Å; H196-S250 PolarHBondContact O-OG 3.28Å
197E96.3Very high97.4Very high93 Ų9352.4 Ų52.444%0.43528%0.278SS..EExtended strand (participates in β ladder)trans-143.5145.1-170.5-65.8-179.8156.200112.7V193 S194 V247 V248 S250V193-E197 PolarHBondContact N-O 2.81Å; S194-E197 PolarHBondContact N-O 3.14Å; S194-E197 PolarHBondContact O-N 2.98Å; S194-E197 VanDerWaalsContact O-O 3.1Å; S194-E197 PolarHBondContact OG-N 3.44Å; E197-V247 HydrophobicContact CB-CG1 3.97Å; E197-V247 HydrophobicContact CG-CG1 4.2Å; E197-V248 VanDerWaalsContact CA-O 3.31Å; E197-V248 WeakPolarHBondContact CA-O 3.12Å; E197-S250 PolarHBondContact N-OG 2.78Å
198A97.4Very high97.4Very high1 Ų148.9 Ų48.91%0.00826%0.262CS..EExtended strand (participates in β ladder)trans-132.6156169.900000111.1H190 H191 V247 V248H190-A198 WeakPolarHBondContact NE2-CB 3.42Å; H191-A198 CarbonylContact O-C 3.55Å; H191-A198 WeakPolarHBondContact O-CA 3.28Å; A198-V247 WeakPolarHBondContact O-CA 3.25Å; A198-V248 PolarHBondContact N-O 2.99Å; A198-V248 PolarHBondContact O-N 2.02Å
199T98.4Very high97.3Very high21 Ų2148.7 Ų48.713%0.12926%0.261CS..EExtended strand (participates in β ladder)trans-95.7123.4169.7-560000109.6H190 H191 V193 A245 V246H190-T199 WeakPolarHBondContact CA-O 3.4Å; H191-T199 PolarHBondContact N-O 3.15Å; H191-T199 PolarHBondContact O-N 2.64Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.43Å; T199-A245 HydrophobicContact CG2-CB 3.91Å; T199-V246 WeakPolarHBondContact CA-O 3.02Å
200L98.7Very high97.3Very high0 Ų047.9 Ų47.90%026%0.258CS..EExtended strand (participates in β ladder)trans-94124.6164.1-61.9-176.4000108.8V188 T189 H190 W216 A245 V246 V248 E253 Y256 W273V188-L200 HydrophobicContact CG1-CB 4.4Å; V188-L200 HydrophobicContact CG1-CD2 4.45Å; T189-L200 WeakPolarHBondContact O-CA 3.26Å; H190-L200 HydrophobicContact CB-CD2 4.09Å; L200-W216 HydrophobicContact CB-CH2 3.67Å; L200-W216 HydrophobicContact CB-CZ2 3.72Å; L200-W216 HydrophobicContact CB-CZ3 4.45Å; L200-W216 HydrophobicContact CD1-CH2 4Å; L200-W216 HydrophobicContact CD1-CZ3 4.15Å; L200-W216 HydrophobicContact CG-CH2 4.48Å; L200-A245 CarbonylContact O-C 3.56Å; L200-A245 WeakPolarHBondContact O-CA 2.93Å; L200-V246 HydrophobicContact CB-CG2 4.21Å; L200-V246 PolarHBondContact N-O 2.82Å; L200-V246 PolarHBondContact O-N 2.83Å; L200-V248 HydrophobicContact CD1-CG1 3.97Å; L200-V248 HydrophobicContact CD1-CG2 4.07Å; L200-V248 HydrophobicContact CG-CG1 4.11Å; L200-V248 HydrophobicContact CG-CG2 3.86Å; L200-E253 HydrophobicContact CD1-CB 4.17Å; L200-E253 HydrophobicContact CD2-CB 4.48Å; L200-E253 HydrophobicContact CD2-CG 4.31Å; L200-Y256 HydrophobicContact CD1-CG 4.47Å; L200-W273 HydrophobicContact CD2-CB 3.91Å; L200-W273 HydrophobicContact CD2-CG 4.18Å
201R98.8Very high97.4Very high56 Ų5652.5 Ų52.521%0.21128%0.28CS..EExtended strand (participates in β ladder)trans-120117176.9-175.6178.8-65.6115.80110.4V188 T189 H191 W203 W243 A245V188-R201 CarbonylContact C-O 3.59Å; V188-R201 WeakPolarHBondContact CA-O 3.49Å; T189-R201 PolarHBondContact N-O 2.97Å; T189-R201 PolarHBondContact O-N 2.95Å; H191-R201 PolarHBondContact CD2-NH1 3.04Å; H191-R201 PolarHBondContact NE2-NH1 2.89Å; R201-W203 VanDerWaalsContact CD-CZ2 3.4Å; R201-W203 VanDerWaalsContact CD-NE1 3.32Å; R201-W203 HydrophobicContact CG-CZ2 4.44Å; R201-W243 HydrophobicContact CG-CB 3.96Å; R201-W243 HydrophobicContact CG-CD2 4.13Å; R201-W243 HydrophobicContact CG-CE3 3.95Å; R201-W243 HydrophobicContact CG-CG 4.19Å; R201-A245 HydrophobicContact CB-CB 4.12Å; R201-A245 HydrophobicContact CG-CB 4.18Å
202C98.8Very high97.4Very high0 Ų049.3 Ų49.30%027%0.265CS..EExtended strand (participates in β ladder)trans-90.2121.9174.4-1730000109.8V188 W216 W243 A244 C258V188-C202 HydrophobicContact CG2-CB 4.48Å; C202-W216 HydrophobicContact CB-CZ2 3.67Å; C202-W243 CarbonylContact O-C 3.57Å; C202-W243 WeakPolarHBondContact O-CA 3.38Å; C202-W243 VanDerWaalsContact O-CB 3.25Å; C202-W243 WeakPolarHBondContact O-CB 3.46Å; C202-A244 PolarHBondContact N-O 2.9Å; C202-A244 PolarHBondContact O-N 2.83Å; C202-C258 HydrophobicContact CB-CB 3.49Å; C202-C258 VanDerWaalsContact CB-CB 3.49Å; C202-C258 WeakPolarHBondContact CB-SG 3.43Å; C202-C258 WeakPolarHBondContact SG-CB 3.47Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 2.89Å
203W98.8Very high97.6Very high47 Ų4747.2 Ų47.218%0.17825%0.251CS..EExtended strand (participates in β ladder)trans-103.7142179.7-71.690.2000111.1T186 H187 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.36Å; H187-W203 VanDerWaalsContact CE1-CB 3.43Å; H187-W203 WeakPolarHBondContact CE1-CB 3.17Å; H187-W203 AromaticContact CE1-CD1 3.99Å; H187-W203 AromaticContact CE1-CG 3.72Å; H187-W203 PolarHBondContact N-O 2.86Å; H187-W203 AromaticContact NE2-CD1 3.52Å; H187-W203 AromaticContact NE2-CG 3.72Å; H187-W203 PolarHBondContact O-N 3.5Å; R201-W203 VanDerWaalsContact CD-CZ2 3.4Å; R201-W203 VanDerWaalsContact CD-NE1 3.32Å; R201-W203 HydrophobicContact CG-CZ2 4.44Å; W203-L205 HydrophobicContact CE3-CD2 3.85Å; W203-L205 HydrophobicContact CZ3-CD2 4.36Å; W203-W243 HydrophobicContact CD2-CB 3.93Å; W203-W243 HydrophobicContact CD2-CG 4.47Å; W203-W243 HydrophobicContact CE3-CB 3.88Å; W203-W243 AromaticContact CE3-CD1 3.93Å; W203-W243 HydrophobicContact CE3-CG 4.24Å; W203-W243 HydrophobicContact CG-CB 4.38Å; W203-W243 AromaticContact CH2-CD1 3.54Å; W203-W243 HydrophobicContact CH2-CG 4.22Å; W203-W243 HydrophobicContact CZ2-CG 4.44Å; W203-W243 HydrophobicContact CZ3-CB 4.27Å; W203-W243 AromaticContact CZ3-CD1 3.42Å; W203-W243 VanDerWaalsContact CZ3-CD1 3.42Å; W203-W243 HydrophobicContact CZ3-CG 4.13Å
204A98.9Very high97.8Very high0 Ų043 Ų430%023%0.225CC..EExtended strand (participates in β ladder)trans-125.4123.1162.300000108.2P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.86Å; T186-A204 HydrophobicContact CG2-CB 4.31Å; A204-F207 HydrophobicContact CB-CD1 4.06Å; A204-F207 HydrophobicContact CB-CE1 3.84Å; A204-F207 WeakPolarHBondContact O-CE1 3.33Å; A204-I212 HydrophobicContact CB-CD1 3.62Å; A204-L214 HydrophobicContact CB-CD1 3.96Å; A204-L214 HydrophobicContact CB-CD2 4.09Å; A204-L214 HydrophobicContact CB-CG 4.49Å; A204-Q241 VanDerWaalsContact O-CA 3.3Å; A204-Q241 WeakPolarHBondContact O-CA 3.23Å; A204-K242 PolarHBondContact N-O 2.88Å; A204-K242 PolarHBondContact O-N 3Å; A204-K242 VanDerWaalsContact O-O 3.12Å
205L98.8Very high98Very high55 Ų5542.5 Ų42.529%0.28822%0.22SC..EExtended strand (participates in β ladder)trans-130.1149-175.2-59.2177.1000111K185 W203 F207 Q241K185-L205 PolarHBondContact N-O 3.27Å; K185-L205 PolarHBondContact O-N 2.9Å; W203-L205 HydrophobicContact CE3-CD2 3.85Å; W203-L205 HydrophobicContact CZ3-CD2 4.36Å; L205-F207 VanDerWaalsContact C-N 3.33Å; L205-F207 PolarHBondContact O-N 2.87Å; L205-Q241 HydrophobicContact CD2-CB 3.57Å
206G98.5Very high98.3Very high23 Ų2335.5 Ų35.524%0.23718%0.182CC..EExtended strand (participates in β ladder)trans71.126.6167.600000114.2T239 F240G206-T239 WeakPolarHBondContact CA-OG1 3.2Å; G206-F240 PolarHBondContact N-O 3.23Å
207F98.8Very high98.5Very high0 Ų030.4 Ų30.40%016%0.159CC..EExtended strand (participates in β ladder)trans-99.1153-17860.1-89.7000113.1D182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262D182-F207 CarbonylContact O-C 3.59Å; D182-F207 WeakPolarHBondContact O-CA 3.18Å; D182-F207 WeakPolarHBondContact O-CB 3.39Å; P184-F207 HydrophobicContact CB-CB 3.85Å; P184-F207 HydrophobicContact CB-CD1 3.96Å; P184-F207 HydrophobicContact CB-CG 4.19Å; A204-F207 HydrophobicContact CB-CD1 4.06Å; A204-F207 HydrophobicContact CB-CE1 3.84Å; A204-F207 WeakPolarHBondContact O-CE1 3.33Å; L205-F207 VanDerWaalsContact C-N 3.33Å; L205-F207 PolarHBondContact O-N 2.87Å; F207-P209 WeakPolarHBondContact CD2-O 3.39Å; F207-I212 HydrophobicContact CD1-CD1 3.84Å; F207-I212 HydrophobicContact CD2-CB 4.26Å; F207-I212 HydrophobicContact CD2-CD1 3.98Å; F207-I212 HydrophobicContact CE1-CD1 3.78Å; F207-I212 HydrophobicContact CE1-CG2 4.46Å; F207-I212 HydrophobicContact CE2-CB 3.78Å; F207-I212 HydrophobicContact CE2-CD1 3.93Å; F207-I212 HydrophobicContact CE2-CG1 4.44Å; F207-I212 HydrophobicContact CE2-CG2 3.6Å; F207-I212 HydrophobicContact CG-CD1 3.95Å; F207-I212 HydrophobicContact CZ-CB 4.16Å; F207-I212 HydrophobicContact CZ-CD1 3.85Å; F207-I212 HydrophobicContact CZ-CG2 3.57Å; F207-T232 HydrophobicContact CE2-CG2 4.04Å; F207-T232 HydrophobicContact CZ-CG2 3.88Å; F207-T239 CarbonylContact O-C 3.53Å; F207-T239 WeakPolarHBondContact O-CA 3.38Å; F207-F240 VanDerWaalsContact CD1-O 3.27Å; F207-F240 WeakPolarHBondContact CD1-O 3.21Å; F207-F240 HydrophobicContact CD2-CB 3.91Å; F207-F240 HydrophobicContact CE1-CB 4.24Å; F207-F240 WeakPolarHBondContact CE1-O 3.45Å; F207-F240 HydrophobicContact CE2-CB 3.45Å; F207-F240 VanDerWaalsContact CE2-CB 3.45Å; F207-F240 HydrophobicContact CE2-CG 4.43Å; F207-F240 HydrophobicContact CG-CB 4.45Å; F207-F240 HydrophobicContact CZ-CB 3.62Å; F207-F240 PolarHBondContact N-O 2.66Å; F207-F240 PolarHBondContact O-N 2.9Å; F207-K242 HydrophobicContact CE1-CB 4.34Å; F207-K242 HydrophobicContact CZ-CB 4.1Å; F207-H262 AromaticContact CD2-CD2 3.87Å; F207-H262 AromaticContact CD2-NE2 3.82Å
208Y98.6Very high98.5Very high4 Ų429.4 Ų29.42%0.01615%0.151CC..BIsolated β-bridgetrans-150.7136.1172.5179-85.9000109.1D29 T30 R180 A181 D182 R238 F240 H262D29-Y208 HydrophobicContact CB-CE2 3.75Å; T30-Y208 PolarHBondContact OG1-OH 3.01Å; R180-Y208 WeakPolarHBondContact O-CD1 3.39Å; A181-Y208 CarbonylContact C-O 3.45Å; A181-Y208 VanDerWaalsContact CA-O 3.26Å; A181-Y208 WeakPolarHBondContact CA-O 3.35Å; D182-Y208 PolarHBondContact N-O 3.24Å; D182-Y208 PolarHBondContact O-N 3.19Å; Y208-R238 HydrophobicContact CD2-CG 3.95Å; Y208-R238 HydrophobicContact CE2-CG 4.1Å; Y208-F240 HydrophobicContact CD2-CD2 4.5Å; Y208-F240 HydrophobicContact CD2-CE2 4.05Å; Y208-F240 HydrophobicContact CE2-CE2 4.49Å; Y208-H262 PolarHBondContact O-CE1 3.29Å
209P98.4Very high98.5Very high19 Ų1934.2 Ų34.212%0.12318%0.176CC..SBendcis-70.9178.90.930.4-36.5000113.2D29 F207 E211 H262 E263D29-P209 WeakPolarHBondContact OD2-CB 3.33Å; F207-P209 WeakPolarHBondContact CD2-O 3.39Å; P209-E211 VanDerWaalsContact C-N 3.31Å; P209-E211 PolarHBondContact O-N 3.34Å; P209-H262 PolarHBondContact O-NE2 3.5Å; P209-E263 WeakPolarHBondContact CD-OE1 3.1Å; P209-E263 HydrophobicContact CG-CG 4.48Å
210A98.4Very high98.3Very high17 Ų1735.4 Ų35.414%0.1419%0.193CC..SBendtrans-69.6-24.4-175.100000114.1D29 I212 T232 F240D29-A210 WeakPolarHBondContact OD2-CB 3.33Å; D29-A210 PolarHBondContact OD2-N 3.2Å; A210-I212 PolarHBondContact O-N 3.16Å; A210-T232 HydrophobicContact CB-CG2 4.35Å; A210-F240 HydrophobicContact CB-CD1 3.75Å; A210-F240 HydrophobicContact CB-CD2 3.72Å; A210-F240 HydrophobicContact CB-CE1 3.67Å; A210-F240 HydrophobicContact CB-CE2 3.66Å; A210-F240 HydrophobicContact CB-CG 3.78Å; A210-F240 HydrophobicContact CB-CZ 3.65Å
211E98.4Very high98.3Very high146 Ų14642.4 Ų42.468%0.68223%0.226SC*.  trans-64.2119.8179.1-173.357.2-142.100110.3P209 H262P209-E211 VanDerWaalsContact C-N 3.31Å; P209-E211 PolarHBondContact O-N 3.34Å; E211-H262 PolarHBondContact O-CD2 2.98Å
212I98.7Very high98.2Very high12 Ų1244.1 Ų44.16%0.06224%0.239CC..  trans-155.4143.5-178.3-163171.5000109.5P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 3.99Å; P184-I212 HydrophobicContact CG-CD1 4.06Å; A204-I212 HydrophobicContact CB-CD1 3.62Å; F207-I212 HydrophobicContact CD1-CD1 3.84Å; F207-I212 HydrophobicContact CD2-CB 4.26Å; F207-I212 HydrophobicContact CD2-CD1 3.98Å; F207-I212 HydrophobicContact CE1-CD1 3.78Å; F207-I212 HydrophobicContact CE1-CG2 4.46Å; F207-I212 HydrophobicContact CE2-CB 3.78Å; F207-I212 HydrophobicContact CE2-CD1 3.93Å; F207-I212 HydrophobicContact CE2-CG1 4.44Å; F207-I212 HydrophobicContact CE2-CG2 3.6Å; F207-I212 HydrophobicContact CG-CD1 3.95Å; F207-I212 HydrophobicContact CZ-CB 4.16Å; F207-I212 HydrophobicContact CZ-CD1 3.85Å; F207-I212 HydrophobicContact CZ-CG2 3.57Å; A210-I212 PolarHBondContact O-N 3.16Å; I212-L214 HydrophobicContact CB-CD1 4.43Å; I212-L214 HydrophobicContact CD1-CD1 3.59Å; I212-L214 HydrophobicContact CG1-CD1 3.61Å; I212-L214 HydrophobicContact CG2-CD1 4.06Å; I212-K242 HydrophobicContact CG2-CB 4.34Å; I212-K242 HydrophobicContact CG2-CD 3.63Å; I212-V260 HydrophobicContact CD1-CG1 4.07Å; I212-V260 HydrophobicContact CG1-CG1 4.35Å; 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 Ų5645.4 Ų45.434%0.34425%0.245SC..EExtended strand (participates in β ladder)trans-114.1124.2172.5-61.60000109.9T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 3.99Å; T213-V260 WeakPolarHBondContact O-CA 3.39Å; T213-Q261 PolarHBondContact N-O 3.45Å; T213-Q261 PolarHBondContact O-N 3.3Å
214L98.6Very high97.9Very high6 Ų648.4 Ų48.43%0.03127%0.269CS..EExtended strand (participates in β ladder)trans-119.7121.5172.2-86.363.8000108.2A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 3.96Å; A204-L214 HydrophobicContact CB-CD2 4.09Å; A204-L214 HydrophobicContact CB-CG 4.49Å; I212-L214 HydrophobicContact CB-CD1 4.43Å; I212-L214 HydrophobicContact CD1-CD1 3.59Å; I212-L214 HydrophobicContact CG1-CD1 3.61Å; I212-L214 HydrophobicContact CG2-CD1 4.06Å; L214-L229 HydrophobicContact CB-CD1 4.29Å; L214-K242 HydrophobicContact CD1-CD 4.28Å; L214-K242 HydrophobicContact CD2-CB 4.31Å; L214-K242 HydrophobicContact CD2-CG 4.38Å; L214-A244 HydrophobicContact CB-CB 4.04Å; L214-A244 HydrophobicContact CD2-CB 4.37Å; L214-H259 WeakPolarHBondContact CA-O 3.44Å; L214-V260 HydrophobicContact CD1-CG1 4.14Å; L214-V260 HydrophobicContact CG-CG2 4.36Å
215T98.5Very high97.7Very high41 Ų4157.4 Ų57.425%0.25231%0.311SS..EExtended strand (participates in β ladder)trans-132.5147.4176.357.60000111.2T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 3.99Å; T215-C258 CarbonylContact O-C 3.59Å; T215-C258 WeakPolarHBondContact O-CA 3.41Å; T215-H259 PolarHBondContact N-O 2.85Å; T215-H259 PolarHBondContact O-N 2.79Å
216W98.7Very high97.5Very high1 Ų160.1 Ų60.10%0.00433%0.326CS..EExtended strand (participates in β ladder)trans-101.6137.3167.9-82.7104.7000109.8V188 L200 C202 Q223 A244 V246 T257 C258V188-W216 HydrophobicContact CG1-CH2 3.86Å; V188-W216 HydrophobicContact CG1-CZ2 4.23Å; V188-W216 HydrophobicContact CG2-CH2 4.23Å; L200-W216 HydrophobicContact CB-CH2 3.67Å; L200-W216 HydrophobicContact CB-CZ2 3.72Å; L200-W216 HydrophobicContact CB-CZ3 4.45Å; L200-W216 HydrophobicContact CD1-CH2 4Å; L200-W216 HydrophobicContact CD1-CZ3 4.15Å; L200-W216 HydrophobicContact CG-CH2 4.48Å; C202-W216 HydrophobicContact CB-CZ2 3.67Å; W216-Q223 HydrophobicContact CB-CB 4.36Å; W216-Q223 PolarHBondContact O-N 3.37Å; W216-A244 PolarHBondContact NE1-O 3.03Å; W216-V246 HydrophobicContact CB-CG1 3.69Å; W216-V246 HydrophobicContact CB-CG2 4.34Å; W216-V246 HydrophobicContact CD2-CG1 4.47Å; W216-V246 HydrophobicContact CD2-CG2 3.66Å; W216-V246 HydrophobicContact CE3-CG2 4.09Å; W216-V246 HydrophobicContact CG-CB 4.39Å; W216-V246 HydrophobicContact CG-CG1 3.69Å; W216-V246 HydrophobicContact CG-CG2 3.78Å; W216-V246 HydrophobicContact CZ2-CG2 4.43Å; W216-T257 WeakPolarHBondContact CA-O 3.47Å; W216-C258 HydrophobicContact CD2-CB 4.17Å; W216-C258 HydrophobicContact CE3-CB 4.13Å; W216-C258 HydrophobicContact CH2-CB 4.01Å; W216-C258 HydrophobicContact CZ2-CB 4.05Å; W216-C258 HydrophobicContact CZ3-CB 4.05Å
217Q98.6Very high97.5Very high41 Ų4160.2 Ų60.219%0.19232%0.321CS..EExtended strand (participates in β ladder)trans-119144.6170.4-69.8-174.1-10.100110.2E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.57Å; Q217-E221 WeakPolarHBondContact CA-O 3.3Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.34Å; Q217-D222 PolarHBondContact NE2-OD1 3.16Å; Q217-Y256 CarbonylContact O-C 3.56Å; Q217-Y256 VanDerWaalsContact O-CA 3.23Å; Q217-Y256 WeakPolarHBondContact O-CA 3.48Å; Q217-T257 PolarHBondContact N-O 3.27Å; Q217-T257 PolarHBondContact O-N 3.33Å; Q217-H259 PolarHBondContact OE1-NE2 2.94Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.16Å
218R98.2Very high97.4Very high72 Ų7265.7 Ų65.727%0.27235%0.347SS..EExtended strand (participates in β ladder)trans-116.1119.7167.7-176.1-171.4-175.4179.60.3108G220 E221 Q223 E252 R255 Y256R218-G220 PolarHBondContact O-N 3.43Å; R218-E221 PolarHBondContact N-O 2.82Å; R218-E221 PolarHBondContact O-N 2.97Å; R218-Q223 HydrophobicContact CB-CG 3.99Å; R218-E252 IonicContact CZ-OE2 3.94Å; R218-E252 IonicContact NE-OE2 3.67Å; R218-E252 IonicContact NH2-OE1 3.74Å; R218-E252 IonicContact NH2-OE2 2.68Å; R218-E252 PolarHBondContact NH2-OE2 2.96Å; R218-R255 WeakPolarHBondContact CA-O 3.46Å; R218-R255 HydrophobicContact CG-CB 4.41Å; R218-Y256 HydrophobicContact CB-CD1 4.09Å; R218-Y256 HydrophobicContact CB-CE1 3.85Å; R218-Y256 WeakPolarHBondContact CD-OH 3.5Å; R218-Y256 HydrophobicContact CG-CD1 4.46Å; R218-Y256 HydrophobicContact CG-CD2 4.47Å; R218-Y256 HydrophobicContact CG-CE1 4.05Å; R218-Y256 HydrophobicContact CG-CE2 4.03Å
219D96.9Very high97.4Very high101 Ų10169.9 Ų69.954%0.5437%0.369SS..THydrogen-bonded Turntrans51.128.9-174.9-52.5-50.2000114.2R255D219-R255 PolarHBondContact N-O 3.08Å; D219-R255 IonicContact OD1-NE 3.94Å; D219-R255 PolarHBondContact OD1-NE 2.81Å; D219-R255 IonicContact OD2-CZ 3.53Å; D219-R255 IonicContact OD2-NE 3.75Å; D219-R255 PolarHBondContact OD2-NE 2.95Å; D219-R255 IonicContact OD2-NH2 3.82Å; D219-R255 PolarHBondContact OD2-NH2 2.9Å
220G94.3Very high97.4Very high47 Ų4770.5 Ų70.549%0.48537%0.373SS..THydrogen-bonded Turntrans91.1-1.4-177.700000115.6R218R218-G220 PolarHBondContact O-N 3.43Å
221E97.5Very high97.4Very high147 Ų14778 Ų7869%0.68741%0.405SS*.EExtended strand (participates in β ladder)trans-99.3129177.5-63.2-170.717000112.2Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.57Å; Q217-E221 WeakPolarHBondContact CA-O 3.3Å; R218-E221 PolarHBondContact N-O 2.82Å; R218-E221 PolarHBondContact O-N 2.97Å; E221-Q223 PolarHBondContact O-N 2.73Å; E221-Q223 PolarHBondContact O-NE2 3.01Å
222D97.4Very high97.4Very high92 Ų9273.3 Ų73.349%0.49239%0.386SS..EExtended strand (participates in β ladder)trans-62132.5-179.3-72-18.2000112.4Q217Q217-D222 WeakPolarHBondContact CG-OD1 3.34Å; Q217-D222 PolarHBondContact NE2-OD1 3.16Å
223Q97.1Very high97.4Very high27 Ų2777.2 Ų77.213%0.12640%0.4CS..  trans-101.841.6-177.4-57.8-60.8-72.500112W216 R218 E221 Q225 D226 T227 V246 Y256W216-Q223 HydrophobicContact CB-CB 4.36Å; W216-Q223 PolarHBondContact O-N 3.37Å; R218-Q223 HydrophobicContact CB-CG 3.99Å; E221-Q223 PolarHBondContact O-N 2.73Å; E221-Q223 PolarHBondContact O-NE2 3.01Å; Q223-Q225 VanDerWaalsContact C-N 3.31Å; Q223-Q225 PolarHBondContact O-N 2.93Å; Q223-D226 PolarHBondContact O-N 3.46Å; Q223-T227 WeakPolarHBondContact O-CB 3.39Å; Q223-T227 PolarHBondContact O-N 2.96Å; Q223-T227 PolarHBondContact O-OG1 3.36Å; Q223-V246 HydrophobicContact CB-CG1 4.38Å; Q223-Y256 HydrophobicContact CG-CE1 4.43Å
224T94.3Very high97.4Very high109 Ų10979 Ų7967%0.66941%0.413SS*.THydrogen-bonded Turntrans-58.9-36.6-169.5-49.50000113.9
225Q95Very high97.3Very high190 Ų19081.1 Ų81.189%0.88843%0.431SS*.THydrogen-bonded Turntrans-76.1-30.8-179.2-66-173.80.300112.9Q223Q223-Q225 VanDerWaalsContact C-N 3.31Å; Q223-Q225 PolarHBondContact O-N 2.93Å
226D94Very high97.2Very high112 Ų11283 Ų8360%0.59946%0.458SS*.THydrogen-bonded Turntrans-95.2-1-177-55.4-60.1000112.7Q223Q223-D226 PolarHBondContact O-N 3.46Å
227T97.6Very high97.1Very high24 Ų2488.1 Ų88.115%0.14749%0.486CS..  trans-91.6119.2179.1-62.30000110.7Q223 L229 A244 A245 V246Q223-T227 WeakPolarHBondContact O-CB 3.39Å; Q223-T227 PolarHBondContact O-N 2.96Å; Q223-T227 PolarHBondContact O-OG1 3.36Å; T227-L229 HydrophobicContact CG2-CB 4.39Å; T227-L229 PolarHBondContact O-N 3.43Å; T227-A244 HydrophobicContact CG2-CB 3.87Å; T227-A245 CarbonylContact C-O 3.59Å; T227-A245 WeakPolarHBondContact CA-O 3.4Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.45Å
228E98.1Very high97Very high116 Ų11689 Ų8954%0.54249%0.488SS..EExtended strand (participates in β ladder)trans-76111.3162.8-172.3-174.7-173.800108.9W243 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 3.46Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.36Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.49Å; E228-A244 CarbonylContact O-C 3.56Å; E228-A244 WeakPolarHBondContact O-CA 3.45Å; E228-A245 HydrophobicContact CB-CB 4.47Å; E228-A245 PolarHBondContact N-O 3.47Å; E228-A245 PolarHBondContact O-N 2.99Å
229L98.1Very high97Very high91 Ų9186.4 Ų86.448%0.47648%0.48SS..EExtended strand (participates in β ladder)trans-117.9118.4-178.8-172.469000110.2L214 T227 K242 A244L214-L229 HydrophobicContact CB-CD1 4.29Å; T227-L229 HydrophobicContact CG2-CB 4.39Å; T227-L229 PolarHBondContact O-N 3.43Å; L229-K242 HydrophobicContact CD1-CD 4.48Å; L229-A244 HydrophobicContact CD1-CB 3.62Å
230V98.1Very high97.1Very high33 Ų3383 Ų8320%0.246%0.46CS..PPolyproline II helixtrans-82.1154175.8-65.80000112.2K242 W243V230-K242 HydrophobicContact CG2-CG 4.42Å; V230-K242 WeakPolarHBondContact O-CE 3.31Å; V230-K242 PolarHBondContact O-NZ 2.82Å; V230-W243 HydrophobicContact CB-CZ2 4.41Å; V230-W243 HydrophobicContact CG1-CD2 3.98Å; V230-W243 HydrophobicContact CG1-CE3 4.36Å; V230-W243 HydrophobicContact CG1-CH2 3.64Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.2Å; V230-W243 HydrophobicContact CG2-CD2 3.82Å; V230-W243 HydrophobicContact CG2-CG 3.77Å; V230-W243 HydrophobicContact CG2-CZ2 4.46Å; V230-W243 WeakPolarHBondContact CG2-O 3.19Å; V230-W243 PolarHBondContact N-O 2.99Å
231E98.1Very high97.3Very high174 Ų17482.9 Ų82.981%0.81345%0.447SS*.PPolyproline II helixtrans-55.9145.7166.6-68.4-173.8172.900111.1R233E231-R233 PolarHBondContact O-N 2.82Å
232T98.6Very high97.4Very high47 Ų4776.9 Ų76.929%0.28842%0.418SS..PPolyproline II helixtrans-67127.3172.7-57.20000108.4F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.04Å; F207-T232 HydrophobicContact CZ-CG2 3.88Å; A210-T232 HydrophobicContact CB-CG2 4.35Å; T232-F240 HydrophobicContact CG2-CB 3.83Å; T232-F240 HydrophobicContact CG2-CD1 3.91Å; T232-F240 HydrophobicContact CG2-CG 4.15Å; T232-K242 WeakPolarHBondContact OG1-CD 3.35Å; T232-K242 PolarHBondContact OG1-NZ 3.08Å; T232-K242 VanDerWaalsContact OG1-NZ 3.16Å
233R98.6Very high97.4Very high94 Ų9473.7 Ų73.736%0.35540%0.399SS..EExtended strand (participates in β ladder)trans-125.6144.9-173.268.6-169.2-177.1-164.80.1111.6E231 F240 Q241E231-R233 PolarHBondContact O-N 2.82Å; R233-F240 WeakPolarHBondContact O-CA 3.27Å; R233-Q241 HydrophobicContact CG-CG 3.58Å; R233-Q241 PolarHBondContact N-O 3.5Å; R233-Q241 VanDerWaalsContact NE-NE2 3.16Å; R233-Q241 WeakPolarHBondContact O-CG 3.49Å; R233-Q241 PolarHBondContact O-N 3.12Å
234P98.3Very high97.5Very high94 Ų9472.4 Ų72.461%0.6139%0.393SS*.EExtended strand (participates in β ladder)trans-69.7145.8179.429.3-35000111.2F240P234-F240 HydrophobicContact CB-CE1 4.35Å
235A97.9Very high97.7Very high51 Ų5167.3 Ų67.342%0.42136%0.363SS..  trans-90-15.5172.900000113D237 T239A235-D237 WeakPolarHBondContact CB-OD1 3.41Å; A235-T239 WeakPolarHBondContact CB-O 3.44Å; A235-T239 WeakPolarHBondContact CB-OG1 3.49Å; A235-T239 PolarHBondContact N-O 3.33Å
236G96.3Very high97.9Very high79 Ų7958.5 Ų58.581%0.81432%0.322SS*.SBendtrans94.8-5.2-18000000114.7
237D96.3Very high98.1Very high109 Ų10957 Ų5758%0.58332%0.316SS*.SBendtrans-115.629.7-179.365.3-3.4000112.2A235 T239A235-D237 WeakPolarHBondContact CB-OD1 3.41Å; D237-T239 PolarHBondContact O-N 2.61Å; D237-T239 WeakPolarHBondContact OD1-CB 3.45Å; D237-T239 PolarHBondContact OD1-N 3.08Å; D237-T239 VanDerWaalsContact OD1-N 3.08Å; D237-T239 PolarHBondContact OD1-OG1 2.62Å
238R95.9Very high98.1Very high61 Ų6155.9 Ų55.923%0.2331%0.309CS..SBendtrans76.8-21.5-169.6-172.7-176.9178-132-8.6115.1T30 T177 Y208T30-R238 PolarHBondContact OG1-NE 3.06Å; T177-R238 VanDerWaalsContact CB-NH1 3.32Å; T177-R238 PolarHBondContact O-NH1 3.03Å; T177-R238 PolarHBondContact O-NH2 2.86Å; Y208-R238 HydrophobicContact CD2-CG 3.95Å; Y208-R238 HydrophobicContact CE2-CG 4.1Å
239T98.4Very high98Very high17 Ų1752.4 Ų52.410%0.10430%0.297CS..  trans-86169.1-17875.30000112.9G206 F207 A235 D237G206-T239 WeakPolarHBondContact CA-OG1 3.2Å; F207-T239 CarbonylContact O-C 3.53Å; F207-T239 WeakPolarHBondContact O-CA 3.38Å; A235-T239 WeakPolarHBondContact CB-O 3.44Å; A235-T239 WeakPolarHBondContact CB-OG1 3.49Å; A235-T239 PolarHBondContact N-O 3.33Å; D237-T239 PolarHBondContact O-N 2.61Å; D237-T239 WeakPolarHBondContact OD1-CB 3.45Å; D237-T239 PolarHBondContact OD1-N 3.08Å; D237-T239 VanDerWaalsContact OD1-N 3.08Å; D237-T239 PolarHBondContact OD1-OG1 2.62Å
240F98.8Very high97.9Very high28 Ų2850.9 Ų50.912%0.12329%0.294CS..EExtended strand (participates in β ladder)trans-119.2162.7179.6-64.5-89.3000111.6D29 G206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.78Å; D29-F240 HydrophobicContact CB-CZ 3.77Å; G206-F240 PolarHBondContact N-O 3.23Å; F207-F240 VanDerWaalsContact CD1-O 3.27Å; F207-F240 WeakPolarHBondContact CD1-O 3.21Å; F207-F240 HydrophobicContact CD2-CB 3.91Å; F207-F240 HydrophobicContact CE1-CB 4.24Å; F207-F240 WeakPolarHBondContact CE1-O 3.45Å; F207-F240 HydrophobicContact CE2-CB 3.45Å; F207-F240 VanDerWaalsContact CE2-CB 3.45Å; F207-F240 HydrophobicContact CE2-CG 4.43Å; F207-F240 HydrophobicContact CG-CB 4.45Å; F207-F240 HydrophobicContact CZ-CB 3.62Å; F207-F240 PolarHBondContact N-O 2.66Å; F207-F240 PolarHBondContact O-N 2.9Å; Y208-F240 HydrophobicContact CD2-CD2 4.5Å; Y208-F240 HydrophobicContact CD2-CE2 4.05Å; Y208-F240 HydrophobicContact CE2-CE2 4.49Å; A210-F240 HydrophobicContact CB-CD1 3.75Å; A210-F240 HydrophobicContact CB-CD2 3.72Å; A210-F240 HydrophobicContact CB-CE1 3.67Å; A210-F240 HydrophobicContact CB-CE2 3.66Å; A210-F240 HydrophobicContact CB-CG 3.78Å; A210-F240 HydrophobicContact CB-CZ 3.65Å; T232-F240 HydrophobicContact CG2-CB 3.83Å; T232-F240 HydrophobicContact CG2-CD1 3.91Å; T232-F240 HydrophobicContact CG2-CG 4.15Å; R233-F240 WeakPolarHBondContact O-CA 3.27Å; P234-F240 HydrophobicContact CB-CE1 4.35Å
241Q98.8Very high97.8Very high45 Ų4552.5 Ų52.521%0.2132%0.318CS..EExtended strand (participates in β ladder)trans-139.6146.917444.7166.5-17.500110.1A204 L205 R233A204-Q241 VanDerWaalsContact O-CA 3.3Å; A204-Q241 WeakPolarHBondContact O-CA 3.23Å; L205-Q241 HydrophobicContact CD2-CB 3.57Å; R233-Q241 HydrophobicContact CG-CG 3.58Å; R233-Q241 PolarHBondContact N-O 3.5Å; R233-Q241 VanDerWaalsContact NE-NE2 3.16Å; R233-Q241 WeakPolarHBondContact O-CG 3.49Å; R233-Q241 PolarHBondContact O-N 3.12Å
242K98.8Very high97.7Very high22 Ų2246.8 Ų46.810%0.09629%0.291CS..EExtended strand (participates in β ladder)trans-151.5154.2177.1-162.6-176.8-172.1690109A204 F207 I212 L214 L229 V230 T232A204-K242 PolarHBondContact N-O 2.88Å; A204-K242 PolarHBondContact O-N 3Å; A204-K242 VanDerWaalsContact O-O 3.12Å; F207-K242 HydrophobicContact CE1-CB 4.34Å; F207-K242 HydrophobicContact CZ-CB 4.1Å; I212-K242 HydrophobicContact CG2-CB 4.34Å; I212-K242 HydrophobicContact CG2-CD 3.63Å; L214-K242 HydrophobicContact CD1-CD 4.28Å; L214-K242 HydrophobicContact CD2-CB 4.31Å; L214-K242 HydrophobicContact CD2-CG 4.38Å; L229-K242 HydrophobicContact CD1-CD 4.48Å; V230-K242 HydrophobicContact CG2-CG 4.42Å; V230-K242 WeakPolarHBondContact O-CE 3.31Å; V230-K242 PolarHBondContact O-NZ 2.82Å; T232-K242 WeakPolarHBondContact OG1-CD 3.35Å; T232-K242 PolarHBondContact OG1-NZ 3.08Å; T232-K242 VanDerWaalsContact OG1-NZ 3.16Å
243W98.8Very high97.7Very high24 Ų2445.6 Ų45.69%0.09128%0.282CS..EExtended strand (participates in β ladder)trans-142.5156.116859.8-99.1000111.5R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 3.96Å; R201-W243 HydrophobicContact CG-CD2 4.13Å; R201-W243 HydrophobicContact CG-CE3 3.95Å; R201-W243 HydrophobicContact CG-CG 4.19Å; C202-W243 CarbonylContact O-C 3.57Å; C202-W243 WeakPolarHBondContact O-CA 3.38Å; C202-W243 VanDerWaalsContact O-CB 3.25Å; C202-W243 WeakPolarHBondContact O-CB 3.46Å; W203-W243 HydrophobicContact CD2-CB 3.93Å; W203-W243 HydrophobicContact CD2-CG 4.47Å; W203-W243 HydrophobicContact CE3-CB 3.88Å; W203-W243 AromaticContact CE3-CD1 3.93Å; W203-W243 HydrophobicContact CE3-CG 4.24Å; W203-W243 HydrophobicContact CG-CB 4.38Å; W203-W243 AromaticContact CH2-CD1 3.54Å; W203-W243 HydrophobicContact CH2-CG 4.22Å; W203-W243 HydrophobicContact CZ2-CG 4.44Å; W203-W243 HydrophobicContact CZ3-CB 4.27Å; W203-W243 AromaticContact CZ3-CD1 3.42Å; W203-W243 VanDerWaalsContact CZ3-CD1 3.42Å; W203-W243 HydrophobicContact CZ3-CG 4.13Å; 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 3.46Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.36Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.49Å; V230-W243 HydrophobicContact CB-CZ2 4.41Å; V230-W243 HydrophobicContact CG1-CD2 3.98Å; V230-W243 HydrophobicContact CG1-CE3 4.36Å; V230-W243 HydrophobicContact CG1-CH2 3.64Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.2Å; V230-W243 HydrophobicContact CG2-CD2 3.82Å; V230-W243 HydrophobicContact CG2-CG 3.77Å; V230-W243 HydrophobicContact CG2-CZ2 4.46Å; V230-W243 WeakPolarHBondContact CG2-O 3.19Å; V230-W243 PolarHBondContact N-O 2.99Å; W243-A245 HydrophobicContact CE3-CB 3.9Å; W243-A245 HydrophobicContact CZ3-CB 3.61Å
244A98.7Very high97.6Very high0 Ų046.3 Ų46.30%029%0.29CS..EExtended strand (participates in β ladder)trans-128.5132.6173.500000108.4C202 L214 W216 T227 E228 L229C202-A244 PolarHBondContact N-O 2.9Å; C202-A244 PolarHBondContact O-N 2.83Å; L214-A244 HydrophobicContact CB-CB 4.04Å; L214-A244 HydrophobicContact CD2-CB 4.37Å; W216-A244 PolarHBondContact NE1-O 3.03Å; T227-A244 HydrophobicContact CG2-CB 3.87Å; E228-A244 CarbonylContact O-C 3.56Å; E228-A244 WeakPolarHBondContact O-CA 3.45Å; L229-A244 HydrophobicContact CD1-CB 3.62Å
245A98.6Very high97.6Very high3 Ų346.5 Ų46.53%0.02528%0.278CS..EExtended strand (participates in β ladder)trans-127.1146.4-179.600000112.3T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.91Å; L200-A245 CarbonylContact O-C 3.56Å; L200-A245 WeakPolarHBondContact O-CA 2.93Å; R201-A245 HydrophobicContact CB-CB 4.12Å; R201-A245 HydrophobicContact CG-CB 4.18Å; T227-A245 CarbonylContact C-O 3.59Å; T227-A245 WeakPolarHBondContact CA-O 3.4Å; E228-A245 HydrophobicContact CB-CB 4.47Å; E228-A245 PolarHBondContact N-O 3.47Å; E228-A245 PolarHBondContact O-N 2.99Å; W243-A245 HydrophobicContact CE3-CB 3.9Å; W243-A245 HydrophobicContact CZ3-CB 3.61Å
246V98.4Very high97.6Very high4 Ų444.5 Ų44.52%0.02426%0.26CS..EExtended strand (participates in β ladder)trans-131.8144.4173-72.70000109.1T199 L200 W216 Q223 T227 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.02Å; L200-V246 HydrophobicContact CB-CG2 4.21Å; L200-V246 PolarHBondContact N-O 2.82Å; L200-V246 PolarHBondContact O-N 2.83Å; W216-V246 HydrophobicContact CB-CG1 3.69Å; W216-V246 HydrophobicContact CB-CG2 4.34Å; W216-V246 HydrophobicContact CD2-CG1 4.47Å; W216-V246 HydrophobicContact CD2-CG2 3.66Å; W216-V246 HydrophobicContact CE3-CG2 4.09Å; W216-V246 HydrophobicContact CG-CB 4.39Å; W216-V246 HydrophobicContact CG-CG1 3.69Å; W216-V246 HydrophobicContact CG-CG2 3.78Å; W216-V246 HydrophobicContact CZ2-CG2 4.43Å; Q223-V246 HydrophobicContact CB-CG1 4.38Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.45Å; V246-V248 HydrophobicContact CB-CG1 4.4Å; V246-V248 HydrophobicContact CG2-CG1 3.78Å; V246-Y256 HydrophobicContact CG2-CD1 3.97Å; V246-Y256 HydrophobicContact CG2-CE1 4.35Å
247V98.2Very high97.7Very high81 Ų8141.2 Ų41.249%0.49122%0.224SC..EExtended strand (participates in β ladder)trans-86.6128.6167.9-177.80000107.7E197 A198E197-V247 HydrophobicContact CB-CG1 3.97Å; E197-V247 HydrophobicContact CG-CG1 4.2Å; A198-V247 WeakPolarHBondContact O-CA 3.25Å
248V97.6Very high97.8Very high0 Ų036 Ų360%020%0.196CC..EExtended strand (participates in β ladder)trans-126.6146.1-175.4-51.60000110.2E197 A198 L200 V246 E253 Y256E197-V248 VanDerWaalsContact CA-O 3.31Å; E197-V248 WeakPolarHBondContact CA-O 3.12Å; A198-V248 PolarHBondContact N-O 2.99Å; A198-V248 PolarHBondContact O-N 2.02Å; L200-V248 HydrophobicContact CD1-CG1 3.97Å; L200-V248 HydrophobicContact CD1-CG2 4.07Å; L200-V248 HydrophobicContact CG-CG1 4.11Å; L200-V248 HydrophobicContact CG-CG2 3.86Å; 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 4.05Å; V248-Y256 HydrophobicContact CB-CE2 3.72Å; 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 3.56Å; V248-Y256 HydrophobicContact CG1-CG 3.73Å
249P97.6Very high98Very high44 Ų4434.7 Ų34.729%0.28619%0.192SC..EExtended strand (participates in β ladder)trans-63.2139.9170.6-20.432.5000111.4H196 G251 E252H196-P249 CarbonylContact O-C 3.48Å; H196-P249 WeakPolarHBondContact O-CA 3.44Å; P249-G251 PolarHBondContact O-N 2.86Å; P249-E252 HydrophobicContact CB-CB 4.32Å; P249-E252 HydrophobicContact CB-CG 4.08Å; P249-E252 HydrophobicContact CG-CG 4.45Å; P249-E252 WeakPolarHBondContact O-CB 3.2Å; P249-E252 PolarHBondContact O-N 3.33Å
250S95.3Very high98Very high58 Ų5833.9 Ų33.941%0.40619%0.187SC..THydrogen-bonded Turntrans-55.4127.1174.8-62.20000110.8D195 H196 E197D195-S250 PolarHBondContact O-OG 2.97Å; D195-S250 VanDerWaalsContact O-OG 3.09Å; H196-S250 PolarHBondContact O-N 2.74Å; H196-S250 PolarHBondContact O-OG 3.28Å; E197-S250 PolarHBondContact N-OG 2.78Å
251G95.3Very high98Very high68 Ų6837.5 Ų37.570%0.70121%0.205SC*.THydrogen-bonded Turntrans89.6-4.7-178.100000115P249 E253P249-G251 PolarHBondContact O-N 2.86Å; G251-E253 WeakPolarHBondContact CA-OE2 3.43Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 2.84Å; G251-E253 PolarHBondContact N-OE2 2.71Å
252E97.6Very high98Very high53 Ų5336.1 Ų36.125%0.24820%0.198CC..  trans-100.44.7175.3-66.6-160.2-161.400113.8R218 P249 Q254 R255 Y256R218-E252 IonicContact CZ-OE2 3.94Å; R218-E252 IonicContact NE-OE2 3.67Å; R218-E252 IonicContact NH2-OE1 3.74Å; R218-E252 IonicContact NH2-OE2 2.68Å; R218-E252 PolarHBondContact NH2-OE2 2.96Å; P249-E252 HydrophobicContact CB-CB 4.32Å; P249-E252 HydrophobicContact CB-CG 4.08Å; P249-E252 HydrophobicContact CG-CG 4.45Å; P249-E252 WeakPolarHBondContact O-CB 3.2Å; P249-E252 PolarHBondContact O-N 3.33Å; E252-Q254 PolarHBondContact O-N 2.9Å; E252-Q254 VanDerWaalsContact O-N 3.08Å; E252-R255 VanDerWaalsContact CD-NH1 3.29Å; E252-R255 VanDerWaalsContact O-CB 3.32Å; E252-R255 WeakPolarHBondContact O-CB 3.49Å; E252-R255 PolarHBondContact O-N 3.32Å; E252-R255 IonicContact OE1-NH1 3.7Å; E252-R255 IonicContact OE2-CZ 3.84Å; E252-R255 IonicContact OE2-NE 3.3Å; E252-R255 IonicContact OE2-NH1 3Å; E252-R255 PolarHBondContact OE2-NH1 2.81Å; E252-Y256 HydrophobicContact CB-CE2 4.4Å; E252-Y256 WeakPolarHBondContact O-CD2 3.32Å
253E97.3Very high97.9Very high22 Ų2241.6 Ų41.610%0.10322%0.224CC..G310 helixtrans-57.3-35-169.5-57.381.5-179.500112.6H190 L200 V248 G251 R255 Y256 W273H190-E253 IonicContact NE2-OE1 3.95Å; L200-E253 HydrophobicContact CD1-CB 4.17Å; L200-E253 HydrophobicContact CD2-CB 4.48Å; L200-E253 HydrophobicContact CD2-CG 4.31Å; V248-E253 HydrophobicContact CG2-CG 4.03Å; G251-E253 WeakPolarHBondContact CA-OE2 3.43Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 2.84Å; G251-E253 PolarHBondContact N-OE2 2.71Å; E253-R255 VanDerWaalsContact C-N 3.26Å; E253-R255 PolarHBondContact O-N 2.96Å; E253-Y256 PolarHBondContact O-N 2.86Å; E253-Y256 VanDerWaalsContact O-N 3.12Å; E253-W273 HydrophobicContact CB-CE3 3.64Å; E253-W273 HydrophobicContact CB-CZ3 4.16Å; E253-W273 HydrophobicContact CG-CE3 3.72Å; E253-W273 HydrophobicContact CG-CZ3 3.87Å
254Q97.3Very high97.9Very high110 Ų11041.4 Ų41.451%0.51423%0.23SC..G310 helixtrans-71.8-16.2-179-64.6-58.4-46.100114.2E252 Y256 R272 W273E252-Q254 PolarHBondContact O-N 2.9Å; E252-Q254 VanDerWaalsContact O-N 3.08Å; Q254-Y256 PolarHBondContact O-N 2.89Å; Q254-R272 PolarHBondContact O-NE 3.36Å; Q254-R272 VanDerWaalsContact O-NE 3.08Å; Q254-W273 PolarHBondContact NE2-O 2.68Å
255R97.9Very high97.9Very high97 Ų9742.7 Ų42.737%0.36624%0.237SC..G310 helixtrans-73.8-17.8172.3-63.6174.668.3178.86112.1R218 D219 E252 E253R218-R255 WeakPolarHBondContact CA-O 3.46Å; R218-R255 HydrophobicContact CG-CB 4.41Å; D219-R255 PolarHBondContact N-O 3.08Å; D219-R255 IonicContact OD1-NE 3.94Å; D219-R255 PolarHBondContact OD1-NE 2.81Å; D219-R255 IonicContact OD2-CZ 3.53Å; D219-R255 IonicContact OD2-NE 3.75Å; D219-R255 PolarHBondContact OD2-NE 2.95Å; D219-R255 IonicContact OD2-NH2 3.82Å; D219-R255 PolarHBondContact OD2-NH2 2.9Å; E252-R255 VanDerWaalsContact CD-NH1 3.29Å; E252-R255 VanDerWaalsContact O-CB 3.32Å; E252-R255 WeakPolarHBondContact O-CB 3.49Å; E252-R255 PolarHBondContact O-N 3.32Å; E252-R255 IonicContact OE1-NH1 3.7Å; E252-R255 IonicContact OE2-CZ 3.84Å; E252-R255 IonicContact OE2-NE 3.3Å; E252-R255 IonicContact OE2-NH1 3Å; E252-R255 PolarHBondContact OE2-NH1 2.81Å; E253-R255 VanDerWaalsContact C-N 3.26Å; E253-R255 PolarHBondContact O-N 2.96Å
256Y98.4Very high97.8Very high10 Ų1048.9 Ų48.94%0.03928%0.276CS..EExtended strand (participates in β ladder)trans-97.3130.7-177-69.5-99.7000111.4L200 Q217 R218 Q223 V246 V248 E252 E253 Q254L200-Y256 HydrophobicContact CD1-CG 4.47Å; Q217-Y256 CarbonylContact O-C 3.56Å; Q217-Y256 VanDerWaalsContact O-CA 3.23Å; Q217-Y256 WeakPolarHBondContact O-CA 3.48Å; R218-Y256 HydrophobicContact CB-CD1 4.09Å; R218-Y256 HydrophobicContact CB-CE1 3.85Å; R218-Y256 WeakPolarHBondContact CD-OH 3.5Å; R218-Y256 HydrophobicContact CG-CD1 4.46Å; R218-Y256 HydrophobicContact CG-CD2 4.47Å; R218-Y256 HydrophobicContact CG-CE1 4.05Å; R218-Y256 HydrophobicContact CG-CE2 4.03Å; Q223-Y256 HydrophobicContact CG-CE1 4.43Å; V246-Y256 HydrophobicContact CG2-CD1 3.97Å; V246-Y256 HydrophobicContact CG2-CE1 4.35Å; V248-Y256 HydrophobicContact CB-CD2 4.05Å; V248-Y256 HydrophobicContact CB-CE2 3.72Å; 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 3.56Å; V248-Y256 HydrophobicContact CG1-CG 3.73Å; E252-Y256 HydrophobicContact CB-CE2 4.4Å; E252-Y256 WeakPolarHBondContact O-CD2 3.32Å; E253-Y256 PolarHBondContact O-N 2.86Å; E253-Y256 VanDerWaalsContact O-N 3.12Å; Q254-Y256 PolarHBondContact O-N 2.89Å
257T98.6Very high97.8Very high9 Ų956.4 Ų56.46%0.05531%0.309CS..EExtended strand (participates in β ladder)trans-124.9132174.644.90000111.1W216 Q217 H259 T270 L271 R272W216-T257 WeakPolarHBondContact CA-O 3.47Å; Q217-T257 PolarHBondContact N-O 3.27Å; Q217-T257 PolarHBondContact O-N 3.33Å; T257-H259 PolarHBondContact O-CD2 3.05Å; T257-H259 PolarHBondContact OG1-NE2 3.03Å; T257-T270 HydrophobicContact CG2-CG2 3.85Å; T257-L271 CarbonylContact C-O 3.53Å; T257-L271 VanDerWaalsContact CA-O 3.31Å; T257-L271 WeakPolarHBondContact CA-O 3.38Å; T257-R272 HydrophobicContact CG2-CG 3.6Å; T257-R272 VanDerWaalsContact CG2-NE 3.31Å; T257-R272 VanDerWaalsContact CG2-NH2 3.33Å
258C98.7Very high97.8Very high0 Ų056.4 Ų56.40%031%0.31CS..EExtended strand (participates in β ladder)trans-89.1131.5168.11760000109.9C202 T215 W216 T270 L271C202-C258 HydrophobicContact CB-CB 3.49Å; C202-C258 VanDerWaalsContact CB-CB 3.49Å; C202-C258 WeakPolarHBondContact CB-SG 3.43Å; C202-C258 WeakPolarHBondContact SG-CB 3.47Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 2.89Å; T215-C258 CarbonylContact O-C 3.59Å; T215-C258 WeakPolarHBondContact O-CA 3.41Å; W216-C258 HydrophobicContact CD2-CB 4.17Å; W216-C258 HydrophobicContact CE3-CB 4.13Å; W216-C258 HydrophobicContact CH2-CB 4.01Å; W216-C258 HydrophobicContact CZ2-CB 4.05Å; W216-C258 HydrophobicContact CZ3-CB 4.05Å; C258-T270 CarbonylContact O-C 3.54Å; C258-T270 WeakPolarHBondContact O-CA 3.48Å; C258-L271 HydrophobicContact CB-CB 4.38Å; C258-L271 PolarHBondContact N-O 3.46Å; C258-L271 PolarHBondContact O-N 3.45Å
259H98.6Very high97.8Very high34 Ų3459.3 Ų59.316%0.15733%0.325CS..EExtended strand (participates in β ladder)trans-111.3131.1176.1-63.9-106.2000109.9L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.44Å; T215-H259 PolarHBondContact N-O 2.85Å; T215-H259 PolarHBondContact O-N 2.79Å; Q217-H259 PolarHBondContact OE1-NE2 2.94Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.16Å; T257-H259 PolarHBondContact O-CD2 3.05Å; T257-H259 PolarHBondContact OG1-NE2 3.03Å; H259-L269 WeakPolarHBondContact CA-O 3.37Å; H259-T270 PolarHBondContact ND1-OG1 2.9Å
260V98.8Very high97.9Very high0 Ų061 Ų610%034%0.335CS..EExtended strand (participates in β ladder)trans-124.7123.8-178.3-173.70000109.9P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.91Å; T186-V260 HydrophobicContact CG2-CB 4.33Å; T186-V260 HydrophobicContact CG2-CG1 4.06Å; T186-V260 HydrophobicContact CG2-CG2 3.96Å; I212-V260 HydrophobicContact CD1-CG1 4.07Å; I212-V260 HydrophobicContact CG1-CG1 4.35Å; T213-V260 WeakPolarHBondContact O-CA 3.39Å; L214-V260 HydrophobicContact CD1-CG1 4.14Å; L214-V260 HydrophobicContact CG-CG2 4.36Å; V260-L265 HydrophobicContact CG1-CD1 4.21Å; V260-P268 WeakPolarHBondContact O-CA 3.14Å; V260-L269 HydrophobicContact CB-CB 4.35Å; V260-L269 PolarHBondContact N-O 3.05Å; V260-L269 PolarHBondContact O-N 3.09Å; V260-L271 HydrophobicContact CG2-CD1 3.81Å
261Q98.7Very high98Very high104 Ų10459.8 Ų59.849%0.48632%0.324SS..EExtended strand (participates in β ladder)trans-119.7131.2173.2-53.7-177.28.300109.9I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.28Å; I212-Q261 WeakPolarHBondContact CG1-O 3.34Å; T213-Q261 PolarHBondContact N-O 3.45Å; T213-Q261 PolarHBondContact O-N 3.3Å; Q261-P268 HydrophobicContact CG-CB 4.08Å; Q261-P268 HydrophobicContact CG-CG 4.13Å
262H98.7Very high98.1Very high16 Ų1663.1 Ų63.17%0.07432%0.316CS..  trans-156.5147.5-179.9-175.8-95.4000108.8D182 P184 F207 Y208 P209 E211 I212 G264 L265D182-H262 PolarHBondContact O-CE1 2.8Å; D182-H262 VanDerWaalsContact O-CE1 3.27Å; P184-H262 HydrophobicContact CG-CB 4.01Å; F207-H262 AromaticContact CD2-CD2 3.87Å; F207-H262 AromaticContact CD2-NE2 3.82Å; Y208-H262 PolarHBondContact O-CE1 3.29Å; P209-H262 PolarHBondContact O-NE2 3.5Å; E211-H262 PolarHBondContact O-CD2 2.98Å; I212-H262 HydrophobicContact CD1-CB 4.41Å; I212-H262 HydrophobicContact CG1-CB 4.15Å; H262-G264 PolarHBondContact ND1-N 3.19Å; H262-G264 PolarHBondContact O-N 2.92Å; H262-L265 HydrophobicContact CB-CD1 3.97Å; H262-L265 HydrophobicContact CB-CG 4.14Å; H262-L265 WeakPolarHBondContact O-CB 3.34Å; H262-L265 PolarHBondContact O-N 2.93Å
263E97.6Very high97.9Very high136 Ų13667.5 Ų67.564%0.63633%0.33SS*.THydrogen-bonded Turntrans-64-28.3-176.4105.4176.4163.800113A181 P209 L265A181-E263 HydrophobicContact CB-CG 3.54Å; P209-E263 WeakPolarHBondContact CD-OE1 3.1Å; P209-E263 HydrophobicContact CG-CG 4.48Å; E263-L265 PolarHBondContact O-N 3.2Å
264G97.6Very high97.9Very high21 Ų2169.8 Ų69.822%0.21634%0.341CS..THydrogen-bonded Turntrans-72.8-10.2176.800000113.5H262H262-G264 PolarHBondContact ND1-N 3.19Å; H262-G264 PolarHBondContact O-N 2.92Å
265L98.4Very high98Very high27 Ų2767.7 Ų67.714%0.14133%0.332CS..  trans-92.4126.9176.9-65.6171000110.5P183 P184 V260 H262 E263 K267 L269P183-L265 HydrophobicContact CB-CD2 3.93Å; P183-L265 HydrophobicContact CB-CG 4.43Å; P184-L265 HydrophobicContact CG-CD1 3.89Å; P184-L265 HydrophobicContact CG-CD2 4.46Å; P184-L265 HydrophobicContact CG-CG 4.24Å; V260-L265 HydrophobicContact CG1-CD1 4.21Å; H262-L265 HydrophobicContact CB-CD1 3.97Å; H262-L265 HydrophobicContact CB-CG 4.14Å; H262-L265 WeakPolarHBondContact O-CB 3.34Å; H262-L265 PolarHBondContact O-N 2.93Å; E263-L265 PolarHBondContact O-N 3.2Å; L265-K267 WeakPolarHBondContact CB-O 3.31Å; L265-K267 PolarHBondContact O-N 3.16Å; L265-L269 HydrophobicContact CD1-CD1 4.07Å; L265-L269 HydrophobicContact CD1-CG 3.94Å; L265-L269 HydrophobicContact CD2-CD1 3.78Å; L265-L269 HydrophobicContact CD2-CD2 4.5Å; L265-L269 HydrophobicContact CD2-CG 4.02Å
266P97.7Very high98Very high132 Ų13266.1 Ų66.186%0.85733%0.33SS*.SBendtrans-67-24.7176.727.3-34.7000112.6
267K97.7Very high97.9Very high163 Ų16369.4 Ų69.471%0.70935%0.347SS*.SBendtrans-146.8149.5173.7-63.7-176.7-177.9177.70108.9L265L265-K267 WeakPolarHBondContact CB-O 3.31Å; L265-K267 PolarHBondContact O-N 3.16Å
268P98.1Very high97.9Very high81 Ų8173.1 Ų73.153%0.52637%0.366SS..  trans-52.5144.1171.6-27.236000112.1V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.14Å; Q261-P268 HydrophobicContact CG-CB 4.08Å; Q261-P268 HydrophobicContact CG-CG 4.13Å
269L98.5Very high97.8Very high60 Ų6078 Ų7831%0.31439%0.39SS..EExtended strand (participates in β ladder)trans-94.5146.9174.5-60.7178.1000110.3T186 H259 V260 L265 L271T186-L269 HydrophobicContact CG2-CD1 4.33Å; T186-L269 WeakPolarHBondContact OG1-CD1 3.38Å; H259-L269 WeakPolarHBondContact CA-O 3.37Å; V260-L269 HydrophobicContact CB-CB 4.35Å; V260-L269 PolarHBondContact N-O 3.05Å; V260-L269 PolarHBondContact O-N 3.09Å; L265-L269 HydrophobicContact CD1-CD1 4.07Å; L265-L269 HydrophobicContact CD1-CG 3.94Å; L265-L269 HydrophobicContact CD2-CD1 3.78Å; L265-L269 HydrophobicContact CD2-CD2 4.5Å; L265-L269 HydrophobicContact CD2-CG 4.02Å; L269-L271 HydrophobicContact CB-CD1 4.02Å
270T98.5Very high97.8Very high81 Ų8181.1 Ų81.150%0.49741%0.407SS..EExtended strand (participates in β ladder)trans-126118.6171.4-57.20000108.1T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.85Å; C258-T270 CarbonylContact O-C 3.54Å; C258-T270 WeakPolarHBondContact O-CA 3.48Å; H259-T270 PolarHBondContact ND1-OG1 2.9Å
271L98.1Very high97.7Very high31 Ų3187.4 Ų87.416%0.16244%0.438CS..EExtended strand (participates in β ladder)trans-116.6147-176.8-58.1100.5000110.6V188 T257 C258 V260 L269V188-L271 HydrophobicContact CG2-CB 3.86Å; T257-L271 CarbonylContact C-O 3.53Å; T257-L271 VanDerWaalsContact CA-O 3.31Å; T257-L271 WeakPolarHBondContact CA-O 3.38Å; C258-L271 HydrophobicContact CB-CB 4.38Å; C258-L271 PolarHBondContact N-O 3.46Å; C258-L271 PolarHBondContact O-N 3.45Å; V260-L271 HydrophobicContact CG2-CD1 3.81Å; L269-L271 HydrophobicContact CB-CD1 4.02Å
272R96.9Very high97.6Very high139 Ų13986 Ų8653%0.52543%0.434SS..  trans-123.1165.9165.2-67.1-171171.188.52.4108.4Q254 T257Q254-R272 PolarHBondContact O-NE 3.36Å; Q254-R272 VanDerWaalsContact O-NE 3.08Å; T257-R272 HydrophobicContact CG2-CG 3.6Å; T257-R272 VanDerWaalsContact CG2-NE 3.31Å; T257-R272 VanDerWaalsContact CG2-NH2 3.33Å
273W93.6Very high97.5Very high145 Ų14592.4 Ų92.455%0.54947%0.467SS..  trans-70.90166175.453.8000111V188 H190 L200 E253 Q254V188-W273 HydrophobicContact CG1-CB 3.92Å; H190-W273 HydrophobicContact CB-CD2 3.83Å; H190-W273 VanDerWaalsContact CB-CE2 3.42Å; H190-W273 HydrophobicContact CB-CG 3.96Å; H190-W273 HydrophobicContact CB-CZ2 3.93Å; H190-W273 VanDerWaalsContact CB-NE1 3.32Å; H190-W273 AromaticContact CG-CE2 3.7Å; H190-W273 AromaticContact CG-CZ2 3.75Å; H190-W273 AromaticContact ND1-CZ2 3.81Å; L200-W273 HydrophobicContact CD2-CB 3.91Å; L200-W273 HydrophobicContact CD2-CG 4.18Å; E253-W273 HydrophobicContact CB-CE3 3.64Å; E253-W273 HydrophobicContact CB-CZ3 4.16Å; E253-W273 HydrophobicContact CG-CE3 3.72Å; E253-W273 HydrophobicContact CG-CZ3 3.87Å; Q254-W273 PolarHBondContact NE2-O 2.68Å

Retrieved 273 of 273 residues in 68.1 ms (Link to these results)

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